| 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 | 30.8 | Very low | 32.2 | Very low | 234 Ų | 234 | 168.1 Ų | 168.1 | 100% | 1.153 | 84% | 0.84 | S | S | * | * | 0 | 121.8 | 0 | -79.2 | 179.4 | 78 | 0 | 0 | 106.7 | |||||
| 2 | I | 35.4 | Very low | 32.1 | Very low | 153 Ų | 153 | 160.4 Ų | 160.4 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | 65.2 | 84 | 175.6 | -45.7 | 179.3 | 0 | 0 | 0 | 114.5 | N4 | I2-N4 HydrophobicContact CG2-CB 4.31Š| ||
| 3 | D | 29.2 | Very low | 32.1 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -64 | 125.2 | 137.2 | -67.6 | -44.5 | 0 | 0 | 0 | 107.8 | ||||
| 4 | N | 37.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -175.8 | 72.1 | 151.7 | -90.4 | -22.4 | 0 | 0 | 0 | 107 | I2 E6 | I2-N4 HydrophobicContact CG2-CB 4.31Å; N4-E6 PolarHBondContact O-N 2.87Å | ||
| 5 | E | 33.1 | Very low | 32.7 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -68 | 112.1 | 158.6 | -77.9 | -174.7 | 154.4 | 0 | 0 | 107.4 | ||||
| 6 | E | 31.6 | Very low | 33.3 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -53.2 | 125.2 | 172.7 | -73.9 | 179.6 | 140.9 | 0 | 0 | 109.9 | N4 N8 | N4-E6 PolarHBondContact O-N 2.87Å; E6-N8 PolarHBondContact O-N 3.16Å; E6-N8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | P | 35.6 | Very low | 34.4 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 114.6 | 171.6 | 29 | -28.2 | 0 | 0 | 0 | 107 | R9 | P7-R9 PolarHBondContact O-N 3.19Š| ||
| 8 | N | 30.6 | Very low | 35.6 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -51.7 | 87.5 | 161.3 | -80.5 | -46.1 | 0 | 0 | 0 | 109 | E6 E10 | E6-N8 PolarHBondContact O-N 3.16Å; E6-N8 VanDerWaalsContact O-N 3.14Å; N8-E10 VanDerWaalsContact C-N 3.34Å; N8-E10 PolarHBondContact O-N 2.83Å; N8-E10 VanDerWaalsContact O-N 3.07Å | ||
| 9 | R | 32.5 | Very low | 36.6 | Very low | 214 Ų | 214 | 134.3 Ų | 134.3 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | -73.6 | 94.2 | 168.6 | -99.7 | -173.1 | -177 | -177.4 | 2.9 | 106.3 | P7 V11 | P7-R9 PolarHBondContact O-N 3.19Å; R9-V11 HydrophobicContact CB-CG2 3.88Å; R9-V11 HydrophobicContact CG-CG2 4.28Å; R9-V11 PolarHBondContact O-N 3.3Å | ||
| 10 | E | 26.9 | Very low | 37.6 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | trans | -56.1 | 81.4 | 152.8 | -70.7 | -179.7 | 157.4 | 0 | 0 | 108.3 | N8 | N8-E10 VanDerWaalsContact C-N 3.34Å; N8-E10 PolarHBondContact O-N 2.83Å; N8-E10 VanDerWaalsContact O-N 3.07Å | ||
| 11 | V | 31.1 | Very low | 38.7 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -104.5 | 83 | 169.4 | 177.4 | 0 | 0 | 0 | 0 | 106.3 | R9 | R9-V11 HydrophobicContact CB-CG2 3.88Å; R9-V11 HydrophobicContact CG-CG2 4.28Å; R9-V11 PolarHBondContact O-N 3.3Å | ||
| 12 | G | 31 | Very low | 40.3 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 78% | 0.784 | 68% | 0.677 | S | S | * | * | trans | -126.5 | 34.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 13 | V | 32.2 | Very low | 41.9 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -81 | 121.9 | 164.3 | -179.5 | 0 | 0 | 0 | 0 | 105.3 | V15 | V13-V15 PolarHBondContact O-N 3.44Š|
| 14 | D | 35.2 | Very low | 43.8 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | trans | -50.1 | 87 | 171.2 | -73.4 | -60.5 | 0 | 0 | 0 | 110.1 | P16 R44 | D14-P16 WeakPolarHBondContact O-CD 3.11Å; D14-R44 IonicContact OD1-NH1 3.46Å | ||
| 15 | V | 37.8 | Very low | 45.6 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | trans | -81 | 110.2 | 166.2 | -178.9 | 0 | 0 | 0 | 0 | 105 | V13 L17 | V13-V15 PolarHBondContact O-N 3.44Å; V15-L17 PolarHBondContact O-N 3.1Å | ||
| 16 | P | 41.7 | Very low | 47.7 | Very low | 100 Ų | 100 | 112.1 Ų | 112.1 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | trans | -57.6 | 119.6 | 172.8 | 21.9 | -29.8 | 0 | 0 | 0 | 107.7 | D14 C18 | D14-P16 WeakPolarHBondContact O-CD 3.11Å; P16-C18 PolarHBondContact O-N 3.47Å; P16-C18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | L | 52.6 | Low | 49.8 | Very low | 79 Ų | 79 | 103.9 Ų | 103.9 | 41% | 0.414 | 57% | 0.57 | S | S | . | * | trans | -49.8 | 123.3 | 171.7 | -91.2 | 124 | 0 | 0 | 0 | 107.9 | V15 L19 | V15-L17 PolarHBondContact O-N 3.1Å; L17-L19 HydrophobicContact CB-CD2 4.23Å; L17-L19 PolarHBondContact O-N 3.22Å | ||
| 18 | C | 55.2 | Low | 51.8 | Low | 91 Ų | 91 | 101.1 Ų | 101.1 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | trans | -68.2 | 83 | 170.9 | -77.5 | 0 | 0 | 0 | 0 | 108.8 | P16 E20 Q21 | P16-C18 PolarHBondContact O-N 3.47Å; P16-C18 VanDerWaalsContact O-N 3.12Å; C18-E20 PolarHBondContact O-N 2.98Å; C18-Q21 PolarHBondContact O-N 2.84Å; C18-Q21 VanDerWaalsContact O-N 3.14Å | ||
| 19 | L | 56.2 | Low | 54.2 | Low | 11 Ų | 11 | 96.1 Ų | 96.1 | 6% | 0.058 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -59.1 | -16.5 | -176.6 | -67.1 | -177.3 | 0 | 0 | 0 | 113.6 | L17 Q21 V22 L27 L42 S45 L49 | L17-L19 HydrophobicContact CB-CD2 4.23Å; L17-L19 PolarHBondContact O-N 3.22Å; L19-Q21 PolarHBondContact O-N 3.22Å; L19-V22 PolarHBondContact O-N 3.34Å; L19-L27 HydrophobicContact CD2-CD2 3.62Å; L19-L42 HydrophobicContact CD2-CD1 3.69Å; L19-S45 VanDerWaalsContact CD1-C 3.41Å; L19-S45 WeakPolarHBondContact CD1-O 3.43Å; L19-S45 WeakPolarHBondContact CD1-OG 3.18Å; L19-L49 HydrophobicContact CB-CD2 4.01Å; L19-L49 HydrophobicContact CB-CG 4.34Å; L19-L49 HydrophobicContact CD1-CD1 3.94Å; L19-L49 HydrophobicContact CD1-CD2 4.29Å; L19-L49 HydrophobicContact CD1-CG 3.71Å |
| 20 | E | 55.7 | Low | 56.5 | Low | 139 Ų | 139 | 88.2 Ų | 88.2 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -64 | -28.7 | 177 | -62.8 | -167.7 | 148.9 | 0 | 0 | 112.9 | C18 N52 | C18-E20 PolarHBondContact O-N 2.98Å; E20-N52 PolarHBondContact OE1-ND2 2.9Å |
| 21 | Q | 60.6 | Low | 59.1 | Low | 175 Ų | 175 | 79.2 Ų | 79.2 | 82% | 0.818 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -96.8 | -6.8 | -177 | -63.9 | -177.9 | -8.3 | 0 | 0 | 114 | C18 L19 | C18-Q21 PolarHBondContact O-N 2.84Å; C18-Q21 VanDerWaalsContact O-N 3.14Å; L19-Q21 PolarHBondContact O-N 3.22Å |
| 22 | V | 65.5 | Low | 61.4 | Low | 22 Ų | 22 | 76.7 Ų | 76.7 | 13% | 0.133 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -89.3 | 132.4 | -175.9 | -171.1 | 0 | 0 | 0 | 0 | 110 | L19 Q26 L27 | L19-V22 PolarHBondContact O-N 3.34Å; V22-Q26 HydrophobicContact CG1-CB 3.59Å; V22-L27 HydrophobicContact CB-CD2 3.95Å; V22-L27 HydrophobicContact CB-CG 4.24Å; V22-L27 HydrophobicContact CG1-CD2 3.59Å; V22-L27 HydrophobicContact CG1-CG 3.78Å |
| 23 | S | 68.8 | Low | 63.8 | Low | 52 Ų | 52 | 79.1 Ų | 79.1 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | trans | -68.3 | 153.4 | 175.5 | 65 | 0 | 0 | 0 | 0 | 111.6 | D25 Q26 L27 | S23-D25 VanDerWaalsContact C-N 3.25Å; S23-D25 PolarHBondContact O-N 3.41Å; S23-Q26 WeakPolarHBondContact O-CB 3.32Å; S23-Q26 PolarHBondContact O-N 2.96Å; S23-Q26 WeakPolarHBondContact OG-CB 3.47Å; S23-Q26 WeakPolarHBondContact OG-CG 3.41Å; S23-Q26 PolarHBondContact OG-N 3.18Å; S23-Q26 PolarHBondContact OG-OE1 2.86Å; S23-L27 PolarHBondContact O-N 3.38Å; S23-L27 VanDerWaalsContact O-N 3.12Å | ||
| 24 | I | 67.8 | Low | 66 | Low | 75 Ų | 75 | 74.2 Ų | 74.2 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.8 | -43 | 179.1 | -63.7 | 176.7 | 0 | 0 | 0 | 110.6 | Q26 L27 L28 L56 | I24-Q26 VanDerWaalsContact C-N 3.32Å; I24-Q26 PolarHBondContact O-N 3.41Å; I24-L27 PolarHBondContact O-N 2.96Å; I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.24Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 3.49Å; I24-L56 HydrophobicContact CB-CD1 4.12Å; I24-L56 HydrophobicContact CD1-CD1 3.84Å; I24-L56 HydrophobicContact CG1-CD1 3.59Å; I24-L56 HydrophobicContact CG1-CD2 3.99Å; I24-L56 HydrophobicContact CG1-CG 4.42Å; I24-L56 HydrophobicContact CG2-CD1 3.64Å |
| 25 | D | 75.1 | Confident | 68.3 | Low | 123 Ų | 123 | 73.7 Ų | 73.7 | 66% | 0.658 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.1 | -35.1 | -178.3 | -58.6 | -35.9 | 0 | 0 | 0 | 112 | S23 S29 | S23-D25 VanDerWaalsContact C-N 3.25Å; S23-D25 PolarHBondContact O-N 3.41Å; D25-S29 WeakPolarHBondContact O-CB 3.33Å; D25-S29 PolarHBondContact O-N 3.45Å |
| 26 | Q | 77.8 | Confident | 70.4 | Confident | 106 Ų | 106 | 71.1 Ų | 71.1 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 172.8 | -77.1 | 165.3 | -21.1 | 0 | 0 | 111.9 | V22 S23 I24 S29 I30 | V22-Q26 HydrophobicContact CG1-CB 3.59Å; S23-Q26 WeakPolarHBondContact O-CB 3.32Å; S23-Q26 PolarHBondContact O-N 2.96Å; S23-Q26 WeakPolarHBondContact OG-CB 3.47Å; S23-Q26 WeakPolarHBondContact OG-CG 3.41Å; S23-Q26 PolarHBondContact OG-N 3.18Å; S23-Q26 PolarHBondContact OG-OE1 2.86Å; I24-Q26 VanDerWaalsContact C-N 3.32Å; I24-Q26 PolarHBondContact O-N 3.41Å; Q26-S29 PolarHBondContact O-N 3.33Å; Q26-I30 WeakPolarHBondContact O-CB 3.49Å; Q26-I30 WeakPolarHBondContact O-CD1 3.48Å; Q26-I30 WeakPolarHBondContact O-CG1 2.98Å; Q26-I30 PolarHBondContact O-N 3.15Å |
| 27 | L | 76 | Confident | 72.3 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.9 | -62.9 | 173.9 | 0 | 0 | 0 | 111.4 | L19 V22 S23 I24 I30 L31 L42 L56 | L19-L27 HydrophobicContact CD2-CD2 3.62Å; V22-L27 HydrophobicContact CB-CD2 3.95Å; V22-L27 HydrophobicContact CB-CG 4.24Å; V22-L27 HydrophobicContact CG1-CD2 3.59Å; V22-L27 HydrophobicContact CG1-CG 3.78Å; S23-L27 PolarHBondContact O-N 3.38Å; S23-L27 VanDerWaalsContact O-N 3.12Å; I24-L27 PolarHBondContact O-N 2.96Å; L27-I30 PolarHBondContact O-N 2.84Å; L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.16Å; L27-L31 VanDerWaalsContact O-N 3.08Å; L27-L42 HydrophobicContact CD2-CD1 3.58Å; L27-L42 HydrophobicContact CD2-CD2 4.47Å; L27-L56 HydrophobicContact CD1-CD2 4.17Å |
| 28 | L | 77.2 | Confident | 73.8 | Confident | 51 Ų | 51 | 73.3 Ų | 73.3 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 178 | -65.2 | 175 | 0 | 0 | 0 | 111.8 | I24 L31 S32 L63 | I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.24Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 3.49Å; L28-L31 PolarHBondContact O-N 2.89Å; L28-S32 WeakPolarHBondContact O-CB 3.29Å; L28-S32 PolarHBondContact O-N 3.3Å; L28-S32 PolarHBondContact O-OG 3.37Å; L28-L63 HydrophobicContact CB-CD2 4.41Å; L28-L63 HydrophobicContact CD2-CD2 3.61Å |
| 29 | S | 81.4 | Confident | 75.2 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | D25 Q26 L31 S32 D33 G34 | D25-S29 WeakPolarHBondContact O-CB 3.33Å; D25-S29 PolarHBondContact O-N 3.45Å; Q26-S29 PolarHBondContact O-N 3.33Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-L31 PolarHBondContact O-N 3.49Å; S29-S32 PolarHBondContact O-N 3.42Å; S29-D33 WeakPolarHBondContact O-CA 3.39Å; S29-D33 WeakPolarHBondContact O-CB 3.44Å; S29-D33 PolarHBondContact O-N 3.23Å; S29-G34 PolarHBondContact O-N 3.14Å |
| 30 | I | 81.6 | Confident | 76.7 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.7 | -68.2 | 163.2 | 0 | 0 | 0 | 111.1 | Q26 L27 G34 Q38 R39 L42 | Q26-I30 WeakPolarHBondContact O-CB 3.49Å; Q26-I30 WeakPolarHBondContact O-CD1 3.48Å; Q26-I30 WeakPolarHBondContact O-CG1 2.98Å; Q26-I30 PolarHBondContact O-N 3.15Å; L27-I30 PolarHBondContact O-N 2.84Å; I30-G34 WeakPolarHBondContact O-CA 3.47Å; I30-G34 PolarHBondContact O-N 3Å; I30-Q38 HydrophobicContact CG2-CB 4.11Å; I30-R39 WeakPolarHBondContact O-CG 3.3Å; I30-L42 HydrophobicContact CB-CD2 3.97Å; I30-L42 HydrophobicContact CG2-CB 4.37Å; I30-L42 HydrophobicContact CG2-CD2 3.74Å |
| 31 | L | 81 | Confident | 78.1 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68 | -37.8 | 176 | -73.4 | 173.7 | 0 | 0 | 0 | 113 | L27 L28 S29 R39 L42 V60 L63 L64 I67 | L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.16Å; L27-L31 VanDerWaalsContact O-N 3.08Å; L28-L31 PolarHBondContact O-N 2.89Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-L31 PolarHBondContact O-N 3.49Å; L31-R39 PolarHBondContact O-NE 3.45Å; L31-L42 HydrophobicContact CD1-CD2 4.2Å; L31-L42 HydrophobicContact CD2-CD2 3.68Å; L31-L42 HydrophobicContact CD2-CG 4.17Å; L31-L42 HydrophobicContact CG-CD2 3.5Å; L31-L42 VanDerWaalsContact CG-CD2 3.5Å; L31-L42 HydrophobicContact CG-CG 4.41Å; L31-V60 HydrophobicContact CD1-CG1 3.74Å; L31-L63 HydrophobicContact CB-CD2 3.85Å; L31-L63 HydrophobicContact CD1-CD2 4.16Å; L31-L64 HydrophobicContact CD1-CG 4.27Å; L31-L64 HydrophobicContact CD2-CD2 3.79Å; L31-L64 HydrophobicContact CD2-CG 4.4Å; L31-I67 HydrophobicContact CB-CD1 4.06Å; L31-I67 VanDerWaalsContact O-CD1 3.31Å; L31-I67 WeakPolarHBondContact O-CD1 3.19Å |
| 32 | S | 79.8 | Confident | 79.3 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -79.9 | -48.2 | -176.1 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | L28 S29 R39 | L28-S32 WeakPolarHBondContact O-CB 3.29Å; L28-S32 PolarHBondContact O-N 3.3Å; L28-S32 PolarHBondContact O-OG 3.37Å; S29-S32 PolarHBondContact O-N 3.42Å; S32-R39 PolarHBondContact O-NH2 2.87Å |
| 33 | D | 79.9 | Confident | 80.4 | Confident | 128 Ų | 128 | 58.5 Ų | 58.5 | 68% | 0.684 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -115.3 | -12.7 | -167.4 | -52.9 | -41.3 | 0 | 0 | 0 | 113.7 | S29 | S29-D33 WeakPolarHBondContact O-CA 3.39Å; S29-D33 WeakPolarHBondContact O-CB 3.44Å; S29-D33 PolarHBondContact O-N 3.23Å |
| 34 | G | 79.8 | Confident | 81.3 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -67.9 | 158.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | S29 I30 R39 | S29-G34 PolarHBondContact O-N 3.14Å; I30-G34 WeakPolarHBondContact O-CA 3.47Å; I30-G34 PolarHBondContact O-N 3Å; G34-R39 PolarHBondContact O-NE 2.92Å; G34-R39 PolarHBondContact O-NH2 3.48Å; G34-R39 VanDerWaalsContact O-NH2 3.09Å |
| 35 | N | 83.7 | Confident | 82.1 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | trans | -67.1 | 156.9 | 171.5 | -171.1 | 6.2 | 0 | 0 | 0 | 110.5 | I37 Q38 R39 | N35-I37 VanDerWaalsContact C-N 3.33Å; N35-I37 PolarHBondContact O-N 3.12Å; N35-Q38 HydrophobicContact CB-CG 4.44Å; N35-Q38 WeakPolarHBondContact O-CA 3.26Å; N35-Q38 WeakPolarHBondContact O-CB 3.39Å; N35-Q38 PolarHBondContact O-N 2.96Å; N35-R39 PolarHBondContact O-N 3.06Å | ||
| 36 | E | 80.2 | Confident | 82.6 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -49.5 | -48.3 | -178.4 | 178.7 | 170.9 | -157.2 | 0 | 0 | 113.4 | Q38 R39 I40 N74 | E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 3.27Å; E36-R39 PolarHBondContact O-N 3.01Å; E36-R39 VanDerWaalsContact O-N 3.17Å; E36-I40 HydrophobicContact CG-CD1 3.96Å; E36-I40 WeakPolarHBondContact O-CG1 3.42Å; E36-I40 PolarHBondContact O-N 3.2Å; E36-N74 WeakPolarHBondContact OE1-CB 3.5Å; E36-N74 PolarHBondContact OE1-ND2 3.1Å; E36-N74 PolarHBondContact OE2-ND2 3.28Å |
| 37 | I | 83.1 | Confident | 82.9 | Confident | 119 Ų | 119 | 49.5 Ų | 49.5 | 61% | 0.61 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 178.4 | -60.9 | 171.7 | 0 | 0 | 0 | 110.7 | N35 R39 I40 C41 | N35-I37 VanDerWaalsContact C-N 3.33Å; N35-I37 PolarHBondContact O-N 3.12Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.1Å; I37-I40 PolarHBondContact O-N 3.26Å; I37-C41 WeakPolarHBondContact O-CB 3.35Å; I37-C41 PolarHBondContact O-N 3.43Å; I37-C41 PolarHBondContact O-SG 2.92Å |
| 38 | Q | 83 | Confident | 83 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.8 | -63.4 | 173.8 | -35.6 | 0 | 0 | 111.1 | I30 N35 E36 L42 | I30-Q38 HydrophobicContact CG2-CB 4.11Å; N35-Q38 HydrophobicContact CB-CG 4.44Å; N35-Q38 WeakPolarHBondContact O-CA 3.26Å; N35-Q38 WeakPolarHBondContact O-CB 3.39Å; N35-Q38 PolarHBondContact O-N 2.96Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 3.27Å; Q38-L42 WeakPolarHBondContact O-CB 3.48Å; Q38-L42 PolarHBondContact O-N 2.9Å |
| 39 | R | 86 | Confident | 82.9 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 25% | 0.249 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176 | -62.7 | 178.2 | -165.4 | -161.4 | -6.6 | 111.5 | I30 L31 S32 G34 N35 E36 I37 L42 V43 M77 | I30-R39 WeakPolarHBondContact O-CG 3.3Å; L31-R39 PolarHBondContact O-NE 3.45Å; S32-R39 PolarHBondContact O-NH2 2.87Å; G34-R39 PolarHBondContact O-NE 2.92Å; G34-R39 PolarHBondContact O-NH2 3.48Å; G34-R39 VanDerWaalsContact O-NH2 3.09Å; N35-R39 PolarHBondContact O-N 3.06Å; E36-R39 PolarHBondContact O-N 3.01Å; E36-R39 VanDerWaalsContact O-N 3.17Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.1Å; R39-L42 WeakPolarHBondContact O-CB 3.49Å; R39-L42 PolarHBondContact O-N 3.49Å; R39-V43 WeakPolarHBondContact O-CG2 3.47Å; R39-V43 PolarHBondContact O-N 2.9Å; R39-M77 HydrophobicContact CB-CE 3.12Å; R39-M77 HydrophobicContact CB-SD 4.48Å; R39-M77 HydrophobicContact CG-CE 4.26Å |
| 40 | I | 86.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 178.9 | -70.2 | 174.3 | 0 | 0 | 0 | 110.4 | E36 I37 L42 V43 R44 D76 M77 E80 | E36-I40 HydrophobicContact CG-CD1 3.96Å; E36-I40 WeakPolarHBondContact O-CG1 3.42Å; E36-I40 PolarHBondContact O-N 3.2Å; I37-I40 PolarHBondContact O-N 3.26Å; I40-L42 VanDerWaalsContact C-N 3.25Å; I40-L42 PolarHBondContact O-N 3.18Å; I40-V43 PolarHBondContact O-N 3.18Å; I40-R44 PolarHBondContact O-N 3.46Å; I40-D76 HydrophobicContact CD1-CB 4.02Å; I40-M77 HydrophobicContact CG1-CE 3.6Å; I40-M77 HydrophobicContact CG1-SD 4.07Å; I40-E80 HydrophobicContact CG2-CB 4.4Å; I40-E80 HydrophobicContact CG2-CG 3.99Å |
| 41 | C | 85.9 | Confident | 81.7 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.1 | -36.6 | 175.3 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | I37 S45 | I37-C41 WeakPolarHBondContact O-CB 3.35Å; I37-C41 PolarHBondContact O-N 3.43Å; I37-C41 PolarHBondContact O-SG 2.92Å; C41-S45 PolarHBondContact O-N 2.97Å; C41-S45 PolarHBondContact O-OG 3.49Å |
| 42 | L | 85.9 | Confident | 81.1 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -45.6 | 173.9 | 176.3 | 54.2 | 0 | 0 | 0 | 111.6 | L19 L27 I30 L31 Q38 R39 I40 R44 S45 L46 | L19-L42 HydrophobicContact CD2-CD1 3.69Å; L27-L42 HydrophobicContact CD2-CD1 3.58Å; L27-L42 HydrophobicContact CD2-CD2 4.47Å; I30-L42 HydrophobicContact CB-CD2 3.97Å; I30-L42 HydrophobicContact CG2-CB 4.37Å; I30-L42 HydrophobicContact CG2-CD2 3.74Å; L31-L42 HydrophobicContact CD1-CD2 4.2Å; L31-L42 HydrophobicContact CD2-CD2 3.68Å; L31-L42 HydrophobicContact CD2-CG 4.17Å; L31-L42 HydrophobicContact CG-CD2 3.5Å; L31-L42 VanDerWaalsContact CG-CD2 3.5Å; L31-L42 HydrophobicContact CG-CG 4.41Å; Q38-L42 WeakPolarHBondContact O-CB 3.48Å; Q38-L42 PolarHBondContact O-N 2.9Å; R39-L42 WeakPolarHBondContact O-CB 3.49Å; R39-L42 PolarHBondContact O-N 3.49Å; I40-L42 VanDerWaalsContact C-N 3.25Å; I40-L42 PolarHBondContact O-N 3.18Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 2.99Å; L42-S45 PolarHBondContact O-N 3.32Å; L42-S45 VanDerWaalsContact O-N 3.13Å; L42-S45 PolarHBondContact O-OG 3.12Å; L42-L46 WeakPolarHBondContact O-CG 3.39Å; L42-L46 PolarHBondContact O-N 3.49Å |
| 43 | V | 87.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 175.6 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | R39 I40 S45 L46 L64 M77 E80 T81 V84 | R39-V43 WeakPolarHBondContact O-CG2 3.47Å; R39-V43 PolarHBondContact O-N 2.9Å; I40-V43 PolarHBondContact O-N 3.18Å; V43-S45 PolarHBondContact O-N 3.48Å; V43-S45 VanDerWaalsContact O-N 3.17Å; V43-L46 HydrophobicContact CB-CD1 4.49Å; V43-L46 HydrophobicContact CG2-CD1 4.43Å; V43-L46 WeakPolarHBondContact O-CB 3.35Å; V43-L46 WeakPolarHBondContact O-CG 3.12Å; V43-L46 PolarHBondContact O-N 2.82Å; V43-L46 VanDerWaalsContact O-N 3.14Å; V43-L64 HydrophobicContact CG2-CD1 4.41Å; V43-L64 HydrophobicContact CG2-CD2 3.7Å; V43-M77 HydrophobicContact CG2-SD 3.83Å; V43-E80 HydrophobicContact CG1-CG 4.09Å; V43-T81 HydrophobicContact CG1-CG2 4.31Å; V43-V84 HydrophobicContact CG1-CB 4.05Å; V43-V84 HydrophobicContact CG1-CG1 4.32Å; V43-V84 HydrophobicContact CG1-CG2 3.85Å; V43-V84 WeakPolarHBondContact O-CG1 3.39Å; V43-V84 WeakPolarHBondContact O-CG2 3.47Å |
| 44 | R | 88.6 | Confident | 80.6 | Confident | 115 Ų | 115 | 51 Ų | 51 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.1 | -32.3 | 176.1 | -82.9 | 177.9 | -173.7 | 154 | 11.6 | 114.5 | D14 I40 L42 P47 E80 | D14-R44 IonicContact OD1-NH1 3.46Å; I40-R44 PolarHBondContact O-N 3.46Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 2.99Å; R44-P47 WeakPolarHBondContact O-CD 3.36Å; R44-E80 VanDerWaalsContact CG-CD 3.46Å; R44-E80 HydrophobicContact CG-CG 3.88Å; R44-E80 WeakPolarHBondContact CG-OE1 3.25Å; R44-E80 IonicContact CZ-OE2 3.44Å; R44-E80 VanDerWaalsContact CZ-OE2 3.23Å; R44-E80 IonicContact NE-OE1 3.12Å; R44-E80 PolarHBondContact NE-OE1 3.4Å; R44-E80 VanDerWaalsContact NE-OE1 3.1Å; R44-E80 IonicContact NE-OE2 2.81Å; R44-E80 PolarHBondContact NE-OE2 3.3Å; R44-E80 IonicContact NH2-OE2 2.73Å; R44-E80 PolarHBondContact NH2-OE2 3.07Å |
| 45 | S | 84.8 | Confident | 80.5 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -89 | -12 | -176.1 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | L19 C41 L42 V43 G48 | L19-S45 VanDerWaalsContact CD1-C 3.41Å; L19-S45 WeakPolarHBondContact CD1-O 3.43Å; L19-S45 WeakPolarHBondContact CD1-OG 3.18Å; C41-S45 PolarHBondContact O-N 2.97Å; C41-S45 PolarHBondContact O-OG 3.49Å; L42-S45 PolarHBondContact O-N 3.32Å; L42-S45 VanDerWaalsContact O-N 3.13Å; L42-S45 PolarHBondContact O-OG 3.12Å; V43-S45 PolarHBondContact O-N 3.48Å; V43-S45 VanDerWaalsContact O-N 3.17Å; S45-G48 PolarHBondContact O-N 3.4Å |
| 46 | L | 85.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -54.1 | -36.4 | -179.6 | -64 | 175.6 | 0 | 0 | 0 | 115.8 | L42 V43 G48 L49 L57 V60 F61 L64 V84 I88 | L42-L46 WeakPolarHBondContact O-CG 3.39Å; L42-L46 PolarHBondContact O-N 3.49Å; V43-L46 HydrophobicContact CB-CD1 4.49Å; V43-L46 HydrophobicContact CG2-CD1 4.43Å; V43-L46 WeakPolarHBondContact O-CB 3.35Å; V43-L46 WeakPolarHBondContact O-CG 3.12Å; V43-L46 PolarHBondContact O-N 2.82Å; V43-L46 VanDerWaalsContact O-N 3.14Å; L46-G48 PolarHBondContact O-N 3.45Å; L46-G48 VanDerWaalsContact O-N 3.09Å; L46-L49 HydrophobicContact CD2-CD1 3.91Å; L46-L49 WeakPolarHBondContact O-CB 3.39Å; L46-L49 PolarHBondContact O-N 3.16Å; L46-L57 HydrophobicContact CB-CD1 4.18Å; L46-L57 HydrophobicContact CD2-CD1 4.48Å; L46-V60 HydrophobicContact CD1-CG1 4.26Å; L46-V60 HydrophobicContact CD2-CG1 3.7Å; L46-F61 HydrophobicContact CD1-CE1 4.26Å; L46-L64 HydrophobicContact CD1-CD1 3.47Å; L46-L64 VanDerWaalsContact CD1-CD1 3.47Å; L46-V84 HydrophobicContact CB-CG1 4.16Å; L46-V84 HydrophobicContact CD1-CG1 4.44Å; L46-I88 HydrophobicContact CB-CD1 4.15Å |
| 47 | P | 82.9 | Confident | 80.2 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -55 | -29.1 | 176 | -27 | 36.5 | 0 | 0 | 0 | 113.3 | R44 L49 M50 V84 I87 I88 | R44-P47 WeakPolarHBondContact O-CD 3.36Å; P47-L49 VanDerWaalsContact C-N 3.31Å; P47-L49 PolarHBondContact O-N 2.91Å; P47-M50 VanDerWaalsContact O-CB 3.28Å; P47-M50 WeakPolarHBondContact O-CB 3.37Å; P47-M50 PolarHBondContact O-N 3.43Å; P47-V84 HydrophobicContact CG-CG1 4.08Å; P47-I87 HydrophobicContact CB-CG2 4.26Å; P47-I87 HydrophobicContact CG-CG2 4.24Å; P47-I88 HydrophobicContact CB-CG1 4.34Å; P47-I88 HydrophobicContact CG-CD1 4.33Å; P47-I88 HydrophobicContact CG-CG1 4.15Å |
| 48 | G | 79.3 | Confident | 80.1 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 55% | 0.546 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -65.4 | -28.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S45 L46 M50 | S45-G48 PolarHBondContact O-N 3.4Å; L46-G48 PolarHBondContact O-N 3.45Å; L46-G48 VanDerWaalsContact O-N 3.09Å; G48-M50 PolarHBondContact O-N 3.34Å |
| 49 | L | 74 | Confident | 80.1 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -71.9 | -16.4 | 177.7 | -69.8 | 171.8 | 0 | 0 | 0 | 113 | L19 L46 P47 A51 N52 K53 L56 L57 | L19-L49 HydrophobicContact CB-CD2 4.01Å; L19-L49 HydrophobicContact CB-CG 4.34Å; L19-L49 HydrophobicContact CD1-CD1 3.94Å; L19-L49 HydrophobicContact CD1-CD2 4.29Å; L19-L49 HydrophobicContact CD1-CG 3.71Å; L46-L49 HydrophobicContact CD2-CD1 3.91Å; L46-L49 WeakPolarHBondContact O-CB 3.39Å; L46-L49 PolarHBondContact O-N 3.16Å; P47-L49 VanDerWaalsContact C-N 3.31Å; P47-L49 PolarHBondContact O-N 2.91Å; L49-A51 PolarHBondContact O-N 3Å; L49-N52 PolarHBondContact O-N 3.36Å; L49-K53 PolarHBondContact O-N 3.31Å; L49-L56 HydrophobicContact CD2-CD2 4.46Å; L49-L57 HydrophobicContact CB-CD1 4Å; L49-L57 HydrophobicContact CD1-CD1 4.36Å |
| 50 | M | 68.7 | Low | 80 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -58 | -36.6 | 178 | -76.3 | -112.7 | -76.5 | 0 | 0 | 112.1 | P47 G48 L57 I88 N91 K96 V99 | P47-M50 VanDerWaalsContact O-CB 3.28Å; P47-M50 WeakPolarHBondContact O-CB 3.37Å; P47-M50 PolarHBondContact O-N 3.43Å; G48-M50 PolarHBondContact O-N 3.34Å; M50-L57 HydrophobicContact CG-CD2 3.9Å; M50-L57 HydrophobicContact SD-CD2 4.2Å; M50-I88 HydrophobicContact CE-CG2 4.36Å; M50-I88 WeakPolarHBondContact CE-O 3.45Å; M50-I88 HydrophobicContact CG-CG1 4.4Å; M50-I88 HydrophobicContact CG-CG2 4.41Å; M50-I88 HydrophobicContact SD-CB 4.42Å; M50-I88 HydrophobicContact SD-CG2 3.68Å; M50-N91 HydrophobicContact CE-CB 3.46Å; M50-N91 VanDerWaalsContact CE-CB 3.46Å; M50-K96 PolarHBondContact O-NZ 3.07Å; M50-V99 HydrophobicContact SD-CG1 4.32Å |
| 51 | A | 69.3 | Low | 79.9 | Confident | 70 Ų | 70 | 43 Ų | 43 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -45.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L49 | L49-A51 PolarHBondContact O-N 3Š|
| 52 | N | 68.4 | Low | 79.9 | Confident | 111 Ų | 111 | 45.1 Ų | 45.1 | 59% | 0.594 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | -20.1 | -162.4 | -64.9 | -25.4 | 0 | 0 | 0 | 115.2 | E20 L49 | E20-N52 PolarHBondContact OE1-ND2 2.9Å; L49-N52 PolarHBondContact O-N 3.36Å |
| 53 | K | 75.6 | Confident | 79.8 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 37% | 0.365 | 26% | 0.259 | S | S | . | . | trans | -142.7 | 63.7 | -170.8 | -62.1 | -176 | -177.9 | 171 | 0 | 113.8 | L49 D55 L56 L57 | L49-K53 PolarHBondContact O-N 3.31Å; K53-D55 PolarHBondContact O-N 3.23Å; K53-L56 HydrophobicContact CB-CB 3.95Å; K53-L56 HydrophobicContact CB-CD2 4.29Å; K53-L56 HydrophobicContact CD-CD2 3.77Å; K53-L56 PolarHBondContact O-N 2.68Å; K53-L57 PolarHBondContact O-N 2.84Å | ||
| 54 | A | 74.7 | Confident | 79.7 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L56 L57 I58 V99 | A54-L56 VanDerWaalsContact C-N 3.32Å; A54-L56 PolarHBondContact O-N 3.28Å; A54-L57 WeakPolarHBondContact O-CB 3.28Å; A54-L57 PolarHBondContact O-N 2.77Å; A54-I58 PolarHBondContact O-N 2.96Å; A54-I58 VanDerWaalsContact O-N 3.14Å; A54-V99 HydrophobicContact CB-CG2 4.19Å |
| 55 | D | 78 | Confident | 79.7 | Confident | 130 Ų | 130 | 42.2 Ų | 42.2 | 70% | 0.695 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.8 | -34.1 | 179.7 | -64 | -35.6 | 0 | 0 | 0 | 112.8 | K53 I58 K59 | K53-D55 PolarHBondContact O-N 3.23Å; D55-I58 PolarHBondContact O-N 3.47Å; D55-K59 PolarHBondContact O-N 3.39Å |
| 56 | L | 75.3 | Confident | 79.8 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 173.9 | 178.3 | 59.6 | 0 | 0 | 0 | 110.7 | I24 L27 L49 K53 A54 I58 K59 V60 | I24-L56 HydrophobicContact CB-CD1 4.12Å; I24-L56 HydrophobicContact CD1-CD1 3.84Å; I24-L56 HydrophobicContact CG1-CD1 3.59Å; I24-L56 HydrophobicContact CG1-CD2 3.99Å; I24-L56 HydrophobicContact CG1-CG 4.42Å; I24-L56 HydrophobicContact CG2-CD1 3.64Å; L27-L56 HydrophobicContact CD1-CD2 4.17Å; L49-L56 HydrophobicContact CD2-CD2 4.46Å; K53-L56 HydrophobicContact CB-CB 3.95Å; K53-L56 HydrophobicContact CB-CD2 4.29Å; K53-L56 HydrophobicContact CD-CD2 3.77Å; K53-L56 PolarHBondContact O-N 2.68Å; A54-L56 VanDerWaalsContact C-N 3.32Å; A54-L56 PolarHBondContact O-N 3.28Å; L56-I58 VanDerWaalsContact C-N 3.28Å; L56-I58 PolarHBondContact O-N 2.85Å; L56-K59 PolarHBondContact O-N 2.7Å; L56-K59 VanDerWaalsContact O-N 3.15Å; L56-V60 HydrophobicContact CD1-CG2 4.37Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 WeakPolarHBondContact O-CG2 3.48Å; L56-V60 PolarHBondContact O-N 3.25Å |
| 57 | L | 80.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 178 | -169 | 77.1 | 0 | 0 | 0 | 111.4 | L46 L49 M50 K53 A54 K59 V60 F61 I88 V99 | L46-L57 HydrophobicContact CB-CD1 4.18Å; L46-L57 HydrophobicContact CD2-CD1 4.48Å; L49-L57 HydrophobicContact CB-CD1 4Å; L49-L57 HydrophobicContact CD1-CD1 4.36Å; M50-L57 HydrophobicContact CG-CD2 3.9Å; M50-L57 HydrophobicContact SD-CD2 4.2Å; K53-L57 PolarHBondContact O-N 2.84Å; A54-L57 WeakPolarHBondContact O-CB 3.28Å; A54-L57 PolarHBondContact O-N 2.77Å; L57-K59 PolarHBondContact O-N 3.14Å; L57-V60 PolarHBondContact O-N 3.12Å; L57-F61 HydrophobicContact CD1-CE1 3.81Å; L57-F61 HydrophobicContact CD1-CE2 4.36Å; L57-F61 HydrophobicContact CD1-CZ 3.66Å; L57-F61 HydrophobicContact CD2-CE1 4.48Å; L57-F61 HydrophobicContact CD2-CE2 3.63Å; L57-F61 HydrophobicContact CD2-CZ 3.53Å; L57-F61 HydrophobicContact CG-CD1 4.5Å; L57-F61 HydrophobicContact CG-CD2 4.21Å; L57-F61 HydrophobicContact CG-CE1 3.87Å; L57-F61 HydrophobicContact CG-CE2 3.55Å; L57-F61 HydrophobicContact CG-CZ 3.34Å; L57-F61 WeakPolarHBondContact O-CD2 3.36Å; L57-F61 WeakPolarHBondContact O-CG 3.2Å; L57-F61 PolarHBondContact O-N 3Å; L57-I88 HydrophobicContact CD1-CD1 4.48Å; L57-I88 HydrophobicContact CD2-CG2 4.37Å; L57-V99 HydrophobicContact CD2-CG1 3.66Å |
| 58 | I | 82 | Confident | 79.9 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 175.1 | -67.4 | 170.5 | 0 | 0 | 0 | 111.2 | A54 D55 L56 V60 F61 L62 T102 | A54-I58 PolarHBondContact O-N 2.96Å; A54-I58 VanDerWaalsContact O-N 3.14Å; D55-I58 PolarHBondContact O-N 3.47Å; L56-I58 VanDerWaalsContact C-N 3.28Å; L56-I58 PolarHBondContact O-N 2.85Å; I58-V60 VanDerWaalsContact C-N 3.33Å; I58-V60 PolarHBondContact O-N 2.89Å; I58-F61 PolarHBondContact O-N 3.12Å; I58-L62 HydrophobicContact CG2-CD1 4.48Å; I58-L62 WeakPolarHBondContact O-CG 3.37Å; I58-L62 PolarHBondContact O-N 2.64Å; I58-T102 HydrophobicContact CG2-CG2 4.26Å |
| 59 | K | 81.9 | Confident | 80.2 | Confident | 136 Ų | 136 | 47.8 Ų | 47.8 | 59% | 0.591 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 177 | -68.8 | -179.8 | -178.8 | 179.4 | 0 | 111.7 | D55 L56 L57 L62 L63 | D55-K59 PolarHBondContact O-N 3.39Å; L56-K59 PolarHBondContact O-N 2.7Å; L56-K59 VanDerWaalsContact O-N 3.15Å; L57-K59 PolarHBondContact O-N 3.14Å; K59-L62 PolarHBondContact O-N 3.28Å; K59-L63 PolarHBondContact O-N 3.44Å; K59-L63 VanDerWaalsContact O-N 3.15Å |
| 60 | V | 83.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L31 L46 L56 L57 I58 L62 L63 L64 | L31-V60 HydrophobicContact CD1-CG1 3.74Å; L46-V60 HydrophobicContact CD1-CG1 4.26Å; L46-V60 HydrophobicContact CD2-CG1 3.7Å; L56-V60 HydrophobicContact CD1-CG2 4.37Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 WeakPolarHBondContact O-CG2 3.48Å; L56-V60 PolarHBondContact O-N 3.25Å; L57-V60 PolarHBondContact O-N 3.12Å; I58-V60 VanDerWaalsContact C-N 3.33Å; I58-V60 PolarHBondContact O-N 2.89Å; V60-L62 PolarHBondContact O-N 3.26Å; V60-L63 PolarHBondContact O-N 2.9Å; V60-L64 HydrophobicContact CG1-CD1 3.77Å; V60-L64 HydrophobicContact CG1-CG 4.38Å; V60-L64 WeakPolarHBondContact O-CB 3.43Å; V60-L64 WeakPolarHBondContact O-CG 3.42Å; V60-L64 PolarHBondContact O-N 3.17Å |
| 61 | F | 86.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.1 | -68.1 | -21.3 | 0 | 0 | 0 | 113.4 | L46 L57 I58 L63 L64 Q65 F85 I88 V99 T102 V103 | L46-F61 HydrophobicContact CD1-CE1 4.26Å; L57-F61 HydrophobicContact CD1-CE1 3.81Å; L57-F61 HydrophobicContact CD1-CE2 4.36Å; L57-F61 HydrophobicContact CD1-CZ 3.66Å; L57-F61 HydrophobicContact CD2-CE1 4.48Å; L57-F61 HydrophobicContact CD2-CE2 3.63Å; L57-F61 HydrophobicContact CD2-CZ 3.53Å; L57-F61 HydrophobicContact CG-CD1 4.5Å; L57-F61 HydrophobicContact CG-CD2 4.21Å; L57-F61 HydrophobicContact CG-CE1 3.87Å; L57-F61 HydrophobicContact CG-CE2 3.55Å; L57-F61 HydrophobicContact CG-CZ 3.34Å; L57-F61 WeakPolarHBondContact O-CD2 3.36Å; L57-F61 WeakPolarHBondContact O-CG 3.2Å; L57-F61 PolarHBondContact O-N 3Å; I58-F61 PolarHBondContact O-N 3.12Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.16Å; F61-L64 HydrophobicContact CD1-CD1 4.24Å; F61-L64 PolarHBondContact O-N 3.19Å; F61-Q65 VanDerWaalsContact O-CB 3.26Å; F61-Q65 WeakPolarHBondContact O-CB 3.48Å; F61-Q65 PolarHBondContact O-N 3.24Å; F61-F85 AromaticContact CD1-CE1 3.78Å; F61-F85 HydrophobicContact CD1-CE1 3.78Å; F61-F85 HydrophobicContact CD1-CZ 4.1Å; F61-F85 HydrophobicContact CE1-CD1 4.42Å; F61-F85 AromaticContact CE1-CE1 3.84Å; F61-F85 HydrophobicContact CE1-CE1 3.84Å; F61-F85 HydrophobicContact CG-CZ 4.46Å; F61-I88 HydrophobicContact CE1-CD1 3.92Å; F61-I88 HydrophobicContact CE2-CG2 4.15Å; F61-I88 HydrophobicContact CZ-CD1 3.54Å; F61-I88 HydrophobicContact CZ-CG2 3.83Å; F61-V99 HydrophobicContact CE2-CG1 3.79Å; F61-T102 HydrophobicContact CB-CG2 4.28Å; F61-T102 HydrophobicContact CD2-CG2 4.4Å; F61-V103 HydrophobicContact CD2-CG2 3.84Å; F61-V103 HydrophobicContact CE2-CG2 3.43Å; F61-V103 VanDerWaalsContact CE2-CG2 3.43Å; F61-V103 HydrophobicContact CZ-CG2 4.01Å |
| 62 | L | 84.4 | Confident | 81 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 176 | -67.3 | 175.8 | 0 | 0 | 0 | 112 | I58 K59 V60 K66 | I58-L62 HydrophobicContact CG2-CD1 4.48Å; I58-L62 WeakPolarHBondContact O-CG 3.37Å; I58-L62 PolarHBondContact O-N 2.64Å; K59-L62 PolarHBondContact O-N 3.28Å; V60-L62 PolarHBondContact O-N 3.26Å; L62-K66 WeakPolarHBondContact O-CG 3.45Å; L62-K66 PolarHBondContact O-N 3.48Å |
| 63 | L | 84.4 | Confident | 81.6 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -46.5 | 172.7 | -176.5 | 62.7 | 0 | 0 | 0 | 111.4 | L28 L31 K59 V60 F61 Q65 K66 I67 | L28-L63 HydrophobicContact CB-CD2 4.41Å; L28-L63 HydrophobicContact CD2-CD2 3.61Å; L31-L63 HydrophobicContact CB-CD2 3.85Å; L31-L63 HydrophobicContact CD1-CD2 4.16Å; K59-L63 PolarHBondContact O-N 3.44Å; K59-L63 VanDerWaalsContact O-N 3.15Å; V60-L63 PolarHBondContact O-N 2.9Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.16Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.18Å; L63-K66 WeakPolarHBondContact O-CB 3.28Å; L63-K66 PolarHBondContact O-N 3.23Å; L63-I67 HydrophobicContact CG-CD1 4.14Å; L63-I67 WeakPolarHBondContact O-CG1 3.38Å; L63-I67 PolarHBondContact O-N 3.22Å |
| 64 | L | 86 | Confident | 81.9 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.4 | -42.6 | 174.7 | -80.2 | 164.7 | 0 | 0 | 0 | 111.5 | L31 V43 L46 V60 F61 K66 I67 L68 | L31-L64 HydrophobicContact CD1-CG 4.27Å; L31-L64 HydrophobicContact CD2-CD2 3.79Å; L31-L64 HydrophobicContact CD2-CG 4.4Å; V43-L64 HydrophobicContact CG2-CD1 4.41Å; V43-L64 HydrophobicContact CG2-CD2 3.7Å; L46-L64 HydrophobicContact CD1-CD1 3.47Å; L46-L64 VanDerWaalsContact CD1-CD1 3.47Å; V60-L64 HydrophobicContact CG1-CD1 3.77Å; V60-L64 HydrophobicContact CG1-CG 4.38Å; V60-L64 WeakPolarHBondContact O-CB 3.43Å; V60-L64 WeakPolarHBondContact O-CG 3.42Å; V60-L64 PolarHBondContact O-N 3.17Å; F61-L64 HydrophobicContact CD1-CD1 4.24Å; F61-L64 PolarHBondContact O-N 3.19Å; L64-K66 VanDerWaalsContact C-N 3.3Å; L64-K66 PolarHBondContact O-N 2.99Å; L64-I67 PolarHBondContact O-N 3.01Å; L64-I67 VanDerWaalsContact O-N 3.13Å; L64-L68 HydrophobicContact CB-CD1 4.47Å; L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.15Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.46Å |
| 65 | Q | 87.7 | Confident | 82.5 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -43.3 | 175 | -174.5 | -169.3 | 41.1 | 0 | 0 | 111.4 | F61 L63 L68 C69 K109 | F61-Q65 VanDerWaalsContact O-CB 3.26Å; F61-Q65 WeakPolarHBondContact O-CB 3.48Å; F61-Q65 PolarHBondContact O-N 3.24Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.18Å; Q65-L68 PolarHBondContact O-N 2.91Å; Q65-C69 VanDerWaalsContact O-CB 3.28Å; Q65-C69 WeakPolarHBondContact O-CB 3.4Å; Q65-C69 PolarHBondContact O-N 3.14Å; Q65-C69 PolarHBondContact O-SG 2.99Å; Q65-K109 HydrophobicContact CG-CD 4.31Å |
| 66 | K | 86.5 | Confident | 82.9 | Confident | 152 Ų | 152 | 55.2 Ų | 55.2 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 175.9 | -70.3 | 175.7 | -178 | -178.9 | 0 | 112 | L62 L63 L64 S70 | L62-K66 WeakPolarHBondContact O-CG 3.45Å; L62-K66 PolarHBondContact O-N 3.48Å; L63-K66 WeakPolarHBondContact O-CB 3.28Å; L63-K66 PolarHBondContact O-N 3.23Å; L64-K66 VanDerWaalsContact C-N 3.3Å; L64-K66 PolarHBondContact O-N 2.99Å; K66-S70 PolarHBondContact O-N 3.37Å |
| 67 | I | 85.5 | Confident | 83.5 | Confident | 30 Ų | 30 | 55 Ų | 55 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -47.6 | 177.9 | -64.4 | 165.9 | 0 | 0 | 0 | 110.4 | L31 L63 L64 C69 S70 C73 | L31-I67 HydrophobicContact CB-CD1 4.06Å; L31-I67 VanDerWaalsContact O-CD1 3.31Å; L31-I67 WeakPolarHBondContact O-CD1 3.19Å; L63-I67 HydrophobicContact CG-CD1 4.14Å; L63-I67 WeakPolarHBondContact O-CG1 3.38Å; L63-I67 PolarHBondContact O-N 3.22Å; L64-I67 PolarHBondContact O-N 3.01Å; L64-I67 VanDerWaalsContact O-N 3.13Å; I67-C69 VanDerWaalsContact C-N 3.28Å; I67-C69 PolarHBondContact O-N 3Å; I67-S70 WeakPolarHBondContact O-CB 3.48Å; I67-S70 PolarHBondContact O-N 3.39Å; I67-C73 WeakPolarHBondContact O-CB 3.38Å |
| 68 | L | 86.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -25.2 | -179.8 | -66.8 | 168.5 | 0 | 0 | 0 | 112.7 | L64 Q65 S70 M77 Q78 T81 I110 Q114 W122 | L64-L68 HydrophobicContact CB-CD1 4.47Å; L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.15Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.46Å; Q65-L68 PolarHBondContact O-N 2.91Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-M77 HydrophobicContact CD2-CG 4.16Å; L68-Q78 HydrophobicContact CD2-CG 4.4Å; L68-Q78 PolarHBondContact O-NE2 3.19Å; L68-T81 HydrophobicContact CD1-CG2 3.66Å; L68-I110 HydrophobicContact CB-CD1 4.09Å; L68-I110 HydrophobicContact CB-CG1 4.26Å; L68-I110 HydrophobicContact CD1-CD1 3.7Å; L68-Q114 PolarHBondContact O-NE2 2.82Å; L68-W122 HydrophobicContact CD1-CH2 4.19Å; L68-W122 HydrophobicContact CD1-CZ2 4.08Å |
| 69 | C | 85.4 | Confident | 84.3 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 28% | 0.277 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.6 | 171.1 | -71.8 | 0 | 0 | 0 | 0 | 113.1 | Q65 I67 S113 | Q65-C69 VanDerWaalsContact O-CB 3.28Å; Q65-C69 WeakPolarHBondContact O-CB 3.4Å; Q65-C69 PolarHBondContact O-N 3.14Å; Q65-C69 PolarHBondContact O-SG 2.99Å; I67-C69 VanDerWaalsContact C-N 3.28Å; I67-C69 PolarHBondContact O-N 3Å; C69-S113 PolarHBondContact SG-OG 3.27Å |
| 70 | S | 84.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -76.3 | 141.8 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | K66 I67 L68 M72 C73 | K66-S70 PolarHBondContact O-N 3.37Å; I67-S70 WeakPolarHBondContact O-CB 3.48Å; I67-S70 PolarHBondContact O-N 3.39Å; L68-S70 VanDerWaalsContact C-N 3.35Å; S70-M72 PolarHBondContact O-N 3.21Å; S70-M72 VanDerWaalsContact O-N 3.13Å; S70-M72 PolarHBondContact OG-N 3.33Å; S70-C73 PolarHBondContact O-N 3.19Å |
| 71 | S | 71.5 | Confident | 85 | Confident | 110 Ų | 110 | 52.7 Ų | 52.7 | 77% | 0.769 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12 | 174.8 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 72 | M | 72.4 | Confident | 85.2 | Confident | 159 Ų | 159 | 52.9 Ų | 52.9 | 78% | 0.783 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.3 | -179.4 | -60.9 | -66.3 | 144.3 | 0 | 0 | 113.5 | S70 | S70-M72 PolarHBondContact O-N 3.21Å; S70-M72 VanDerWaalsContact O-N 3.13Å; S70-M72 PolarHBondContact OG-N 3.33Å |
| 73 | C | 80.4 | Confident | 85.4 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | trans | -79.2 | 124.3 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | I67 S70 | I67-C73 WeakPolarHBondContact O-CB 3.38Å; S70-C73 PolarHBondContact O-N 3.19Å | ||
| 74 | N | 83.6 | Confident | 85.6 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | trans | -69.5 | 158.4 | 175.6 | -81.6 | -19.2 | 0 | 0 | 0 | 113.1 | E36 D76 M77 Q78 | E36-N74 WeakPolarHBondContact OE1-CB 3.5Å; E36-N74 PolarHBondContact OE1-ND2 3.1Å; E36-N74 PolarHBondContact OE2-ND2 3.28Å; N74-D76 PolarHBondContact O-N 3.38Å; N74-M77 PolarHBondContact O-N 3.34Å; N74-Q78 WeakPolarHBondContact O-CG 3.38Å; N74-Q78 PolarHBondContact O-N 3.4Å | ||
| 75 | L | 86.5 | Confident | 85.9 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | -176.5 | -170.9 | 64.9 | 0 | 0 | 0 | 112.6 | M77 Q78 F79 I118 | L75-M77 VanDerWaalsContact C-N 3.35Å; L75-M77 PolarHBondContact O-N 3.1Å; L75-Q78 WeakPolarHBondContact O-CB 3.4Å; L75-Q78 PolarHBondContact O-N 3.11Å; L75-F79 HydrophobicContact CD1-CD2 4.19Å; L75-F79 HydrophobicContact CD1-CE2 3.61Å; L75-F79 HydrophobicContact CD1-CZ 4Å; L75-F79 HydrophobicContact CD2-CD2 4.49Å; L75-F79 HydrophobicContact CD2-CE2 3.68Å; L75-F79 HydrophobicContact CD2-CZ 4.46Å; L75-F79 HydrophobicContact CG-CD2 3.78Å; L75-F79 HydrophobicContact CG-CE2 3.34Å; L75-F79 HydrophobicContact CG-CZ 4.21Å; L75-F79 VanDerWaalsContact O-CD2 3.26Å; L75-F79 WeakPolarHBondContact O-CD2 3.45Å; L75-F79 PolarHBondContact O-N 3.19Å; L75-I118 HydrophobicContact CD1-CD1 4.43Å; L75-I118 HydrophobicContact CD1-CG1 3.75Å |
| 76 | D | 86.6 | Confident | 85.9 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 57% | 0.572 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 179.4 | -66 | -25.6 | 0 | 0 | 0 | 111.6 | I40 N74 Q78 F79 E80 | I40-D76 HydrophobicContact CD1-CB 4.02Å; N74-D76 PolarHBondContact O-N 3.38Å; D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact O-N 3.19Å; D76-F79 PolarHBondContact O-N 3.42Å; D76-E80 WeakPolarHBondContact O-CB 3.02Å; D76-E80 PolarHBondContact O-N 3.42Å |
| 77 | M | 87.9 | Confident | 85.9 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 173.3 | -175.7 | 61.5 | 72 | 0 | 0 | 112.3 | R39 I40 V43 L68 N74 L75 T81 | R39-M77 HydrophobicContact CB-CE 3.12Å; R39-M77 HydrophobicContact CB-SD 4.48Å; R39-M77 HydrophobicContact CG-CE 4.26Å; I40-M77 HydrophobicContact CG1-CE 3.6Å; I40-M77 HydrophobicContact CG1-SD 4.07Å; V43-M77 HydrophobicContact CG2-SD 3.83Å; L68-M77 HydrophobicContact CD2-CG 4.16Å; N74-M77 PolarHBondContact O-N 3.34Å; L75-M77 VanDerWaalsContact C-N 3.35Å; L75-M77 PolarHBondContact O-N 3.1Å; M77-T81 WeakPolarHBondContact O-CB 3.4Å; M77-T81 PolarHBondContact O-N 2.88Å; M77-T81 PolarHBondContact O-OG1 3.21Å |
| 78 | Q | 90 | Very high | 86 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 178.8 | -67.3 | -78.9 | -5.2 | 0 | 0 | 110.8 | L68 N74 L75 D76 T81 C82 I118 | L68-Q78 HydrophobicContact CD2-CG 4.4Å; L68-Q78 PolarHBondContact O-NE2 3.19Å; N74-Q78 WeakPolarHBondContact O-CG 3.38Å; N74-Q78 PolarHBondContact O-N 3.4Å; L75-Q78 WeakPolarHBondContact O-CB 3.4Å; L75-Q78 PolarHBondContact O-N 3.11Å; D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact O-N 3.19Å; Q78-T81 PolarHBondContact O-N 2.85Å; Q78-C82 VanDerWaalsContact O-CB 3.22Å; Q78-C82 WeakPolarHBondContact O-CB 3.46Å; Q78-C82 PolarHBondContact O-N 3.29Å; Q78-I118 HydrophobicContact CB-CG2 4.41Å; Q78-I118 HydrophobicContact CG-CD1 4.16Å; Q78-I118 HydrophobicContact CG-CG1 4.4Å; Q78-I118 HydrophobicContact CG-CG2 4.13Å |
| 79 | F | 89.3 | Confident | 85.9 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | -179.9 | -72.9 | -56.4 | 0 | 0 | 0 | 112.8 | L75 D76 T81 C82 D83 A121 | L75-F79 HydrophobicContact CD1-CD2 4.19Å; L75-F79 HydrophobicContact CD1-CE2 3.61Å; L75-F79 HydrophobicContact CD1-CZ 4Å; L75-F79 HydrophobicContact CD2-CD2 4.49Å; L75-F79 HydrophobicContact CD2-CE2 3.68Å; L75-F79 HydrophobicContact CD2-CZ 4.46Å; L75-F79 HydrophobicContact CG-CD2 3.78Å; L75-F79 HydrophobicContact CG-CE2 3.34Å; L75-F79 HydrophobicContact CG-CZ 4.21Å; L75-F79 VanDerWaalsContact O-CD2 3.26Å; L75-F79 WeakPolarHBondContact O-CD2 3.45Å; L75-F79 PolarHBondContact O-N 3.19Å; D76-F79 PolarHBondContact O-N 3.42Å; F79-T81 VanDerWaalsContact C-N 3.33Å; F79-T81 PolarHBondContact O-N 3.01Å; F79-C82 VanDerWaalsContact O-CB 3.27Å; F79-C82 WeakPolarHBondContact O-CB 3.49Å; F79-C82 PolarHBondContact O-N 3.41Å; F79-D83 PolarHBondContact O-N 3.4Å; F79-A121 HydrophobicContact CD1-CB 4.14Å; F79-A121 HydrophobicContact CE1-CB 3.51Å; F79-A121 HydrophobicContact CZ-CB 4.44Å |
| 80 | E | 89.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 176.6 | -169.1 | 70.1 | -138.6 | 0 | 0 | 111.1 | I40 V43 R44 D76 C82 D83 V84 | I40-E80 HydrophobicContact CG2-CB 4.4Å; I40-E80 HydrophobicContact CG2-CG 3.99Å; V43-E80 HydrophobicContact CG1-CG 4.09Å; R44-E80 VanDerWaalsContact CG-CD 3.46Å; R44-E80 HydrophobicContact CG-CG 3.88Å; R44-E80 WeakPolarHBondContact CG-OE1 3.25Å; R44-E80 IonicContact CZ-OE2 3.44Å; R44-E80 VanDerWaalsContact CZ-OE2 3.23Å; R44-E80 IonicContact NE-OE1 3.12Å; R44-E80 PolarHBondContact NE-OE1 3.4Å; R44-E80 VanDerWaalsContact NE-OE1 3.1Å; R44-E80 IonicContact NE-OE2 2.81Å; R44-E80 PolarHBondContact NE-OE2 3.3Å; R44-E80 IonicContact NH2-OE2 2.73Å; R44-E80 PolarHBondContact NH2-OE2 3.07Å; D76-E80 WeakPolarHBondContact O-CB 3.02Å; D76-E80 PolarHBondContact O-N 3.42Å; E80-C82 VanDerWaalsContact C-N 3.28Å; E80-C82 PolarHBondContact O-N 2.93Å; E80-D83 PolarHBondContact O-N 3.24Å; E80-V84 WeakPolarHBondContact O-CG2 3.35Å; E80-V84 PolarHBondContact O-N 2.83Å |
| 81 | T | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 178.9 | -47.2 | 0 | 0 | 0 | 0 | 111.6 | V43 L68 M77 Q78 F79 V84 F85 W122 | V43-T81 HydrophobicContact CG1-CG2 4.31Å; L68-T81 HydrophobicContact CD1-CG2 3.66Å; M77-T81 WeakPolarHBondContact O-CB 3.4Å; M77-T81 PolarHBondContact O-N 2.88Å; M77-T81 PolarHBondContact O-OG1 3.21Å; Q78-T81 PolarHBondContact O-N 2.85Å; F79-T81 VanDerWaalsContact C-N 3.33Å; F79-T81 PolarHBondContact O-N 3.01Å; T81-V84 PolarHBondContact O-N 3.2Å; T81-F85 HydrophobicContact CG2-CD1 3.58Å; T81-F85 HydrophobicContact CG2-CE1 3.39Å; T81-F85 HydrophobicContact CG2-CG 4.26Å; T81-F85 HydrophobicContact CG2-CZ 3.92Å; T81-F85 VanDerWaalsContact O-CB 3.28Å; T81-F85 WeakPolarHBondContact O-CB 3.38Å; T81-F85 WeakPolarHBondContact O-CD1 3.07Å; T81-F85 WeakPolarHBondContact O-CG 3.5Å; T81-F85 PolarHBondContact O-N 3.09Å; T81-W122 HydrophobicContact CG2-CH2 4.29Å |
| 82 | C | 89.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 174.6 | -168 | 0 | 0 | 0 | 0 | 111.4 | Q78 F79 E80 R86 W122 M125 | Q78-C82 VanDerWaalsContact O-CB 3.22Å; Q78-C82 WeakPolarHBondContact O-CB 3.46Å; Q78-C82 PolarHBondContact O-N 3.29Å; F79-C82 VanDerWaalsContact O-CB 3.27Å; F79-C82 WeakPolarHBondContact O-CB 3.49Å; F79-C82 PolarHBondContact O-N 3.41Å; E80-C82 VanDerWaalsContact C-N 3.28Å; E80-C82 PolarHBondContact O-N 2.93Å; C82-R86 PolarHBondContact O-N 3.09Å; C82-R86 VanDerWaalsContact O-N 3.11Å; C82-W122 HydrophobicContact CB-CZ2 4.4Å; C82-M125 HydrophobicContact CB-CE 4.43Å; C82-M125 WeakPolarHBondContact SG-CB 3.42Å; C82-M125 VanDerWaalsContact SG-CE 3.51Å; C82-M125 WeakPolarHBondContact SG-CG 3.41Å |
| 83 | D | 89 | Confident | 85.5 | Confident | 71 Ų | 71 | 40.6 Ų | 40.6 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.2 | -41.6 | 177.3 | -74.3 | -27.1 | 0 | 0 | 0 | 112.2 | F79 E80 R86 I87 | F79-D83 PolarHBondContact O-N 3.4Å; E80-D83 PolarHBondContact O-N 3.24Å; D83-R86 WeakPolarHBondContact O-CB 3.42Å; D83-R86 PolarHBondContact O-N 3.15Å; D83-R86 IonicContact OD1-CZ 3.71Å; D83-R86 IonicContact OD1-NH1 3.77Å; D83-R86 PolarHBondContact OD1-NH1 3.01Å; D83-R86 IonicContact OD1-NH2 2.67Å; D83-I87 WeakPolarHBondContact O-CG1 3.36Å; D83-I87 PolarHBondContact O-N 2.78Å |
| 84 | V | 89 | Confident | 84.5 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.3 | 167.5 | 0 | 0 | 0 | 0 | 111.8 | V43 L46 P47 E80 T81 R86 I87 I88 | V43-V84 HydrophobicContact CG1-CB 4.05Å; V43-V84 HydrophobicContact CG1-CG1 4.32Å; V43-V84 HydrophobicContact CG1-CG2 3.85Å; V43-V84 WeakPolarHBondContact O-CG1 3.39Å; V43-V84 WeakPolarHBondContact O-CG2 3.47Å; L46-V84 HydrophobicContact CB-CG1 4.16Å; L46-V84 HydrophobicContact CD1-CG1 4.44Å; P47-V84 HydrophobicContact CG-CG1 4.08Å; E80-V84 WeakPolarHBondContact O-CG2 3.35Å; E80-V84 PolarHBondContact O-N 2.83Å; T81-V84 PolarHBondContact O-N 3.2Å; V84-R86 VanDerWaalsContact C-N 3.28Å; V84-R86 PolarHBondContact O-N 2.94Å; V84-I87 PolarHBondContact O-N 3.12Å; V84-I88 HydrophobicContact CG1-CD1 3.64Å; V84-I88 HydrophobicContact CG1-CG1 4.33Å; V84-I88 WeakPolarHBondContact O-CB 3.46Å; V84-I88 VanDerWaalsContact O-CG1 3.26Å; V84-I88 WeakPolarHBondContact O-CG1 3.37Å; V84-I88 PolarHBondContact O-N 3.48Å |
| 85 | F | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.5 | -85.4 | 27.4 | 0 | 0 | 0 | 111.2 | F61 T81 I88 A89 V103 W122 M125 | F61-F85 AromaticContact CD1-CE1 3.78Å; F61-F85 HydrophobicContact CD1-CE1 3.78Å; F61-F85 HydrophobicContact CD1-CZ 4.1Å; F61-F85 HydrophobicContact CE1-CD1 4.42Å; F61-F85 AromaticContact CE1-CE1 3.84Å; F61-F85 HydrophobicContact CE1-CE1 3.84Å; F61-F85 HydrophobicContact CG-CZ 4.46Å; T81-F85 HydrophobicContact CG2-CD1 3.58Å; T81-F85 HydrophobicContact CG2-CE1 3.39Å; T81-F85 HydrophobicContact CG2-CG 4.26Å; T81-F85 HydrophobicContact CG2-CZ 3.92Å; T81-F85 VanDerWaalsContact O-CB 3.28Å; T81-F85 WeakPolarHBondContact O-CB 3.38Å; T81-F85 WeakPolarHBondContact O-CD1 3.07Å; T81-F85 WeakPolarHBondContact O-CG 3.5Å; T81-F85 PolarHBondContact O-N 3.09Å; F85-I88 PolarHBondContact O-N 3.19Å; F85-A89 VanDerWaalsContact O-CB 3.26Å; F85-A89 WeakPolarHBondContact O-CB 3.37Å; F85-A89 PolarHBondContact O-N 3.35Å; F85-V103 HydrophobicContact CB-CG1 3.9Å; F85-V103 HydrophobicContact CD2-CG1 3.66Å; F85-V103 HydrophobicContact CE2-CG1 4.4Å; F85-V103 HydrophobicContact CG-CG1 3.92Å; F85-W122 AromaticContact CD2-CH2 3.84Å; F85-W122 HydrophobicContact CD2-CH2 3.84Å; F85-W122 AromaticContact CD2-CZ3 3.69Å; F85-W122 HydrophobicContact CD2-CZ3 3.69Å; F85-W122 HydrophobicContact CE2-CH2 4.13Å; F85-W122 HydrophobicContact CE2-CZ3 4.24Å; F85-W122 HydrophobicContact CG-CH2 4.35Å; F85-W122 HydrophobicContact CG-CZ3 4.36Å; F85-M125 HydrophobicContact CB-CE 4.47Å |
| 86 | R | 88.1 | Confident | 83.1 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 173.6 | -168.4 | -167.8 | -68.6 | 123.1 | 1.4 | 111 | C82 D83 V84 I88 A89 Q90 M125 | C82-R86 PolarHBondContact O-N 3.09Å; C82-R86 VanDerWaalsContact O-N 3.11Å; D83-R86 WeakPolarHBondContact O-CB 3.42Å; D83-R86 PolarHBondContact O-N 3.15Å; D83-R86 IonicContact OD1-CZ 3.71Å; D83-R86 IonicContact OD1-NH1 3.77Å; D83-R86 PolarHBondContact OD1-NH1 3.01Å; D83-R86 IonicContact OD1-NH2 2.67Å; V84-R86 VanDerWaalsContact C-N 3.28Å; V84-R86 PolarHBondContact O-N 2.94Å; R86-I88 VanDerWaalsContact C-N 3.31Å; R86-I88 PolarHBondContact O-N 2.94Å; R86-A89 PolarHBondContact O-N 3.46Å; R86-Q90 HydrophobicContact CG-CG 4.49Å; R86-Q90 WeakPolarHBondContact O-CB 3.39Å; R86-Q90 WeakPolarHBondContact O-CG 3.23Å; R86-Q90 PolarHBondContact O-N 3.35Å; R86-M125 HydrophobicContact CB-CG 4.07Å; R86-M125 HydrophobicContact CB-SD 4.48Å; R86-M125 HydrophobicContact CG-CG 4.43Å |
| 87 | I | 87.6 | Confident | 82.7 | Confident | 70 Ų | 70 | 43 Ų | 43 | 36% | 0.359 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 179.7 | -67.6 | 165.6 | 0 | 0 | 0 | 111.3 | P47 D83 V84 N91 | P47-I87 HydrophobicContact CB-CG2 4.26Å; P47-I87 HydrophobicContact CG-CG2 4.24Å; D83-I87 WeakPolarHBondContact O-CG1 3.36Å; D83-I87 PolarHBondContact O-N 2.78Å; V84-I87 PolarHBondContact O-N 3.12Å; I87-N91 WeakPolarHBondContact CG2-ND2 3.42Å; I87-N91 WeakPolarHBondContact O-CB 3.45Å; I87-N91 PolarHBondContact O-N 3.38Å; I87-N91 PolarHBondContact O-ND2 3.18Å; I87-N91 VanDerWaalsContact O-ND2 3.12Å |
| 88 | I | 86.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -46.6 | -179.5 | -71.8 | 176.4 | 0 | 0 | 0 | 110.7 | L46 P47 M50 L57 F61 V84 F85 R86 Q90 N91 A92 V99 V103 | L46-I88 HydrophobicContact CB-CD1 4.15Å; P47-I88 HydrophobicContact CB-CG1 4.34Å; P47-I88 HydrophobicContact CG-CD1 4.33Å; P47-I88 HydrophobicContact CG-CG1 4.15Å; M50-I88 HydrophobicContact CE-CG2 4.36Å; M50-I88 WeakPolarHBondContact CE-O 3.45Å; M50-I88 HydrophobicContact CG-CG1 4.4Å; M50-I88 HydrophobicContact CG-CG2 4.41Å; M50-I88 HydrophobicContact SD-CB 4.42Å; M50-I88 HydrophobicContact SD-CG2 3.68Å; L57-I88 HydrophobicContact CD1-CD1 4.48Å; L57-I88 HydrophobicContact CD2-CG2 4.37Å; F61-I88 HydrophobicContact CE1-CD1 3.92Å; F61-I88 HydrophobicContact CE2-CG2 4.15Å; F61-I88 HydrophobicContact CZ-CD1 3.54Å; F61-I88 HydrophobicContact CZ-CG2 3.83Å; V84-I88 HydrophobicContact CG1-CD1 3.64Å; V84-I88 HydrophobicContact CG1-CG1 4.33Å; V84-I88 WeakPolarHBondContact O-CB 3.46Å; V84-I88 VanDerWaalsContact O-CG1 3.26Å; V84-I88 WeakPolarHBondContact O-CG1 3.37Å; V84-I88 PolarHBondContact O-N 3.48Å; F85-I88 PolarHBondContact O-N 3.19Å; R86-I88 VanDerWaalsContact C-N 3.31Å; R86-I88 PolarHBondContact O-N 2.94Å; I88-Q90 VanDerWaalsContact C-N 3.35Å; I88-Q90 PolarHBondContact O-N 3.14Å; I88-N91 PolarHBondContact O-N 2.94Å; I88-A92 WeakPolarHBondContact O-CB 3.41Å; I88-A92 PolarHBondContact O-N 3.32Å; I88-V99 HydrophobicContact CG2-CG1 3.94Å; I88-V103 HydrophobicContact CG2-CG2 4.19Å |
| 89 | A | 85.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -36.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F85 R86 V103 L129 L133 | F85-A89 VanDerWaalsContact O-CB 3.26Å; F85-A89 WeakPolarHBondContact O-CB 3.37Å; F85-A89 PolarHBondContact O-N 3.35Å; R86-A89 PolarHBondContact O-N 3.46Å; A89-V103 HydrophobicContact CB-CG1 4.3Å; A89-L129 HydrophobicContact CB-CD1 3.57Å; A89-L129 HydrophobicContact CB-CD2 3.64Å; A89-L129 HydrophobicContact CB-CG 4.2Å; A89-L133 HydrophobicContact CB-CD2 4.28Å |
| 90 | Q | 82.7 | Confident | 82 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 172.4 | -72.6 | 168 | -13.3 | 0 | 0 | 112.2 | R86 I88 L129 E132 | R86-Q90 HydrophobicContact CG-CG 4.49Å; R86-Q90 WeakPolarHBondContact O-CB 3.39Å; R86-Q90 WeakPolarHBondContact O-CG 3.23Å; R86-Q90 PolarHBondContact O-N 3.35Å; I88-Q90 VanDerWaalsContact C-N 3.35Å; I88-Q90 PolarHBondContact O-N 3.14Å; Q90-L129 HydrophobicContact CG-CD1 4.19Å; Q90-E132 HydrophobicContact CG-CB 4.43Å; Q90-E132 WeakPolarHBondContact CG-OE2 3.28Å; Q90-E132 PolarHBondContact NE2-OE2 3.09Å |
| 91 | N | 81.4 | Confident | 81.9 | Confident | 112 Ų | 112 | 45.6 Ų | 45.6 | 60% | 0.599 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -84.1 | -10.8 | -175.4 | -71.7 | -34.5 | 0 | 0 | 0 | 114.2 | M50 I87 I88 G93 | M50-N91 HydrophobicContact CE-CB 3.46Å; M50-N91 VanDerWaalsContact CE-CB 3.46Å; I87-N91 WeakPolarHBondContact CG2-ND2 3.42Å; I87-N91 WeakPolarHBondContact O-CB 3.45Å; I87-N91 PolarHBondContact O-N 3.38Å; I87-N91 PolarHBondContact O-ND2 3.18Å; I87-N91 VanDerWaalsContact O-ND2 3.12Å; I88-N91 PolarHBondContact O-N 2.94Å; N91-G93 PolarHBondContact O-N 2.79Å |
| 92 | A | 74.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I88 K96 C100 | I88-A92 WeakPolarHBondContact O-CB 3.41Å; I88-A92 PolarHBondContact O-N 3.32Å; A92-K96 HydrophobicContact CB-CB 4.3Å; A92-K96 PolarHBondContact O-N 3.12Å; A92-C100 HydrophobicContact CB-CB 4.14Å |
| 93 | G | 65.2 | Low | 81.7 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -158.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N91 S95 | N91-G93 PolarHBondContact O-N 2.79Å; G93-S95 VanDerWaalsContact C-N 3.34Å |
| 94 | T | 60.5 | Low | 81.8 | Confident | 115 Ų | 115 | 43.4 Ų | 43.4 | 71% | 0.706 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -19.1 | 173.2 | 50.7 | 0 | 0 | 0 | 0 | 113 | ||
| 95 | S | 65 | Low | 81.9 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 71% | 0.713 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -22.2 | -173.9 | 75.2 | 0 | 0 | 0 | 0 | 114.5 | G93 | G93-S95 VanDerWaalsContact C-N 3.34Š|
| 96 | K | 74.1 | Confident | 81.8 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 27% | 0.274 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 44.3 | -173.5 | -66.2 | 171.9 | -173.4 | 168.9 | 0 | 112.3 | M50 A92 N98 V99 C100 | M50-K96 PolarHBondContact O-NZ 3.07Å; A92-K96 HydrophobicContact CB-CB 4.3Å; A92-K96 PolarHBondContact O-N 3.12Å; K96-N98 PolarHBondContact O-N 3.09Å; K96-V99 HydrophobicContact CB-CB 4.4Å; K96-V99 HydrophobicContact CB-CG2 4.22Å; K96-V99 WeakPolarHBondContact O-CB 3.37Å; K96-V99 PolarHBondContact O-N 3.07Å; K96-V99 VanDerWaalsContact O-N 3.08Å; K96-C100 PolarHBondContact O-N 2.77Å |
| 97 | E | 78.6 | Confident | 81.9 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.1 | -37.5 | -179.7 | -64.5 | -163.3 | 172.2 | 0 | 0 | 113.2 | V99 C100 R101 I137 | E97-V99 VanDerWaalsContact C-N 3.28Å; E97-V99 PolarHBondContact O-N 2.63Å; E97-C100 WeakPolarHBondContact O-CB 3.47Å; E97-C100 PolarHBondContact O-N 3.02Å; E97-C100 VanDerWaalsContact O-N 3.13Å; E97-R101 WeakPolarHBondContact O-CG 3.43Å; E97-R101 PolarHBondContact O-N 2.94Å; E97-R101 IonicContact OE2-NE 3.15Å; E97-R101 IonicContact OE2-NH2 2.74Å; E97-R101 PolarHBondContact OE2-NH2 2.65Å; E97-I137 HydrophobicContact CG-CD1 4.23Å |
| 98 | N | 83.1 | Confident | 82.1 | Confident | 117 Ų | 117 | 44.9 Ų | 44.9 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58.1 | -41.1 | 179.2 | -71.6 | -17 | 0 | 0 | 0 | 112.2 | K96 R101 T102 | K96-N98 PolarHBondContact O-N 3.09Å; N98-R101 PolarHBondContact O-N 3.21Å; N98-T102 PolarHBondContact O-N 2.98Å; N98-T102 PolarHBondContact O-OG1 3.35Å; N98-T102 VanDerWaalsContact O-OG1 3.07Å |
| 99 | V | 84.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | M50 A54 L57 F61 I88 K96 E97 R101 T102 V103 | M50-V99 HydrophobicContact SD-CG1 4.32Å; A54-V99 HydrophobicContact CB-CG2 4.19Å; L57-V99 HydrophobicContact CD2-CG1 3.66Å; F61-V99 HydrophobicContact CE2-CG1 3.79Å; I88-V99 HydrophobicContact CG2-CG1 3.94Å; K96-V99 HydrophobicContact CB-CB 4.4Å; K96-V99 HydrophobicContact CB-CG2 4.22Å; K96-V99 WeakPolarHBondContact O-CB 3.37Å; K96-V99 PolarHBondContact O-N 3.07Å; K96-V99 VanDerWaalsContact O-N 3.08Å; E97-V99 VanDerWaalsContact C-N 3.28Å; E97-V99 PolarHBondContact O-N 2.63Å; V99-R101 PolarHBondContact O-N 2.93Å; V99-T102 PolarHBondContact O-N 3.17Å; V99-V103 WeakPolarHBondContact O-CG2 3.13Å; V99-V103 PolarHBondContact O-N 3.48Å |
| 100 | C | 85.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 177 | -172.7 | 0 | 0 | 0 | 0 | 112 | A92 K96 E97 T102 V103 L104 L133 I137 | A92-C100 HydrophobicContact CB-CB 4.14Å; K96-C100 PolarHBondContact O-N 2.77Å; E97-C100 WeakPolarHBondContact O-CB 3.47Å; E97-C100 PolarHBondContact O-N 3.02Å; E97-C100 VanDerWaalsContact O-N 3.13Å; C100-T102 VanDerWaalsContact C-N 3.34Å; C100-T102 PolarHBondContact O-N 2.77Å; C100-V103 PolarHBondContact O-N 2.93Å; C100-L104 WeakPolarHBondContact O-CG 3.47Å; C100-L104 PolarHBondContact O-N 3.22Å; C100-L133 WeakPolarHBondContact SG-CD2 3.14Å; C100-I137 HydrophobicContact CB-CD1 4.18Å |
| 101 | R | 87.9 | Confident | 82.8 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 26% | 0.26 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177.3 | -70.7 | 179.7 | -170.2 | -104.3 | 4.7 | 111.8 | E97 N98 V99 L104 K105 S140 D141 | E97-R101 WeakPolarHBondContact O-CG 3.43Å; E97-R101 PolarHBondContact O-N 2.94Å; E97-R101 IonicContact OE2-NE 3.15Å; E97-R101 IonicContact OE2-NH2 2.74Å; E97-R101 PolarHBondContact OE2-NH2 2.65Å; N98-R101 PolarHBondContact O-N 3.21Å; V99-R101 PolarHBondContact O-N 2.93Å; R101-L104 PolarHBondContact O-N 3.01Å; R101-K105 WeakPolarHBondContact O-CB 3.34Å; R101-K105 VanDerWaalsContact O-CG 3.28Å; R101-K105 WeakPolarHBondContact O-CG 3.19Å; R101-K105 PolarHBondContact O-N 3.48Å; R101-S140 PolarHBondContact NH1-OG 3.36Å; R101-D141 IonicContact CZ-OD1 2.69Å; R101-D141 IonicContact CZ-OD2 2.79Å; R101-D141 IonicContact NE-OD2 3.92Å; R101-D141 VanDerWaalsContact NH1-CG 3.33Å; R101-D141 IonicContact NH1-OD1 3.23Å; R101-D141 PolarHBondContact NH1-OD1 2.81Å; R101-D141 IonicContact NH1-OD2 2.89Å; R101-D141 PolarHBondContact NH1-OD2 3.46Å; R101-D141 IonicContact NH2-OD2 2.89Å |
| 102 | T | 87.7 | Confident | 83.1 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 17% | 0.166 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.1 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | I58 F61 N98 V99 C100 S106 | I58-T102 HydrophobicContact CG2-CG2 4.26Å; F61-T102 HydrophobicContact CB-CG2 4.28Å; F61-T102 HydrophobicContact CD2-CG2 4.4Å; N98-T102 PolarHBondContact O-N 2.98Å; N98-T102 PolarHBondContact O-OG1 3.35Å; N98-T102 VanDerWaalsContact O-OG1 3.07Å; V99-T102 PolarHBondContact O-N 3.17Å; C100-T102 VanDerWaalsContact C-N 3.34Å; C100-T102 PolarHBondContact O-N 2.77Å; T102-S106 VanDerWaalsContact O-CB 3.32Å; T102-S106 WeakPolarHBondContact O-CB 3.35Å; T102-S106 PolarHBondContact O-N 2.75Å; T102-S106 PolarHBondContact O-OG 3.05Å |
| 103 | V | 89.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 174.9 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | F61 F85 I88 A89 V99 C100 S106 T107 | F61-V103 HydrophobicContact CD2-CG2 3.84Å; F61-V103 HydrophobicContact CE2-CG2 3.43Å; F61-V103 VanDerWaalsContact CE2-CG2 3.43Å; F61-V103 HydrophobicContact CZ-CG2 4.01Å; F85-V103 HydrophobicContact CB-CG1 3.9Å; F85-V103 HydrophobicContact CD2-CG1 3.66Å; F85-V103 HydrophobicContact CE2-CG1 4.4Å; F85-V103 HydrophobicContact CG-CG1 3.92Å; I88-V103 HydrophobicContact CG2-CG2 4.19Å; A89-V103 HydrophobicContact CB-CG1 4.3Å; V99-V103 WeakPolarHBondContact O-CG2 3.13Å; V99-V103 PolarHBondContact O-N 3.48Å; C100-V103 PolarHBondContact O-N 2.93Å; V103-S106 WeakPolarHBondContact O-CA 3.46Å; V103-S106 WeakPolarHBondContact O-CB 3.44Å; V103-S106 PolarHBondContact O-N 3.11Å; V103-S106 VanDerWaalsContact O-N 3.09Å; V103-T107 WeakPolarHBondContact O-CB 3.46Å; V103-T107 PolarHBondContact O-N 3.31Å; V103-T107 PolarHBondContact O-OG1 2.93Å; V103-T107 VanDerWaalsContact O-OG1 3.05Å |
| 104 | L | 91 | Very high | 84.3 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 179 | -72.1 | 174.4 | 0 | 0 | 0 | 112.8 | C100 R101 S106 T107 F108 L126 L129 L133 I137 D141 I142 | C100-L104 WeakPolarHBondContact O-CG 3.47Å; C100-L104 PolarHBondContact O-N 3.22Å; R101-L104 PolarHBondContact O-N 3.01Å; L104-S106 PolarHBondContact O-N 2.84Å; L104-T107 WeakPolarHBondContact O-CB 3.13Å; L104-T107 PolarHBondContact O-N 2.97Å; L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 3.13Å; L104-L126 HydrophobicContact CD2-CD1 3.55Å; L104-L129 HydrophobicContact CD2-CD2 4.07Å; L104-L133 HydrophobicContact CD1-CD1 4.11Å; L104-L133 HydrophobicContact CD2-CD1 4.07Å; L104-I137 HydrophobicContact CD1-CG2 3.47Å; L104-I137 VanDerWaalsContact CD1-CG2 3.47Å; L104-D141 HydrophobicContact CD1-CB 4.32Å; L104-I142 HydrophobicContact CD1-CD1 4.49Å; L104-I142 HydrophobicContact CD1-CG1 4.34Å; L104-I142 HydrophobicContact CD2-CD1 4.25Å |
| 105 | K | 90.4 | Very high | 85.1 | Confident | 139 Ų | 139 | 48.3 Ų | 48.3 | 60% | 0.604 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.4 | -35.1 | 174.6 | -73.7 | 176.7 | -178.3 | -178.1 | 0 | 111.6 | R101 K109 | R101-K105 WeakPolarHBondContact O-CB 3.34Å; R101-K105 VanDerWaalsContact O-CG 3.28Å; R101-K105 WeakPolarHBondContact O-CG 3.19Å; R101-K105 PolarHBondContact O-N 3.48Å; K105-K109 PolarHBondContact O-N 3.01Å |
| 106 | S | 88.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.2 | -48.4 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | T102 V103 L104 F108 K109 I110 | T102-S106 VanDerWaalsContact O-CB 3.32Å; T102-S106 WeakPolarHBondContact O-CB 3.35Å; T102-S106 PolarHBondContact O-N 2.75Å; T102-S106 PolarHBondContact O-OG 3.05Å; V103-S106 WeakPolarHBondContact O-CA 3.46Å; V103-S106 WeakPolarHBondContact O-CB 3.44Å; V103-S106 PolarHBondContact O-N 3.11Å; V103-S106 VanDerWaalsContact O-N 3.09Å; L104-S106 PolarHBondContact O-N 2.84Å; S106-F108 PolarHBondContact O-N 3.32Å; S106-K109 PolarHBondContact O-N 3.09Å; S106-I110 WeakPolarHBondContact O-CD1 3.46Å; S106-I110 VanDerWaalsContact O-CG1 3.25Å; S106-I110 WeakPolarHBondContact O-CG1 3.32Å; S106-I110 PolarHBondContact O-N 2.65Å |
| 107 | T | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.7 | -50.8 | 173.8 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | V103 L104 K109 I110 I111 W122 M125 L126 | V103-T107 WeakPolarHBondContact O-CB 3.46Å; V103-T107 PolarHBondContact O-N 3.31Å; V103-T107 PolarHBondContact O-OG1 2.93Å; V103-T107 VanDerWaalsContact O-OG1 3.05Å; L104-T107 WeakPolarHBondContact O-CB 3.13Å; L104-T107 PolarHBondContact O-N 2.97Å; T107-K109 PolarHBondContact O-N 3.18Å; T107-I110 PolarHBondContact O-N 3.46Å; T107-I111 HydrophobicContact CG2-CD1 3.9Å; T107-I111 VanDerWaalsContact O-CG1 3.29Å; T107-I111 WeakPolarHBondContact O-CG1 3.02Å; T107-I111 PolarHBondContact O-N 3.29Å; T107-W122 HydrophobicContact CG2-CE3 4.02Å; T107-M125 HydrophobicContact CG2-CE 4.27Å; T107-L126 HydrophobicContact CG2-CB 4.19Å; T107-L126 HydrophobicContact CG2-CD1 4.29Å; T107-L126 HydrophobicContact CG2-CD2 4.09Å; T107-L126 HydrophobicContact CG2-CG 4.42Å |
| 108 | F | 92.1 | Very high | 86.6 | Confident | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 179.2 | -75.4 | -60.5 | 0 | 0 | 0 | 112.5 | L104 S106 I110 I111 D112 L126 E145 F161 L165 | L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 3.13Å; S106-F108 PolarHBondContact O-N 3.32Å; F108-I110 VanDerWaalsContact C-N 3.34Å; F108-I110 PolarHBondContact O-N 3.25Å; F108-I111 WeakPolarHBondContact O-CB 3.5Å; F108-I111 PolarHBondContact O-N 3.4Å; F108-D112 PolarHBondContact O-N 2.96Å; F108-L126 HydrophobicContact CD1-CD2 3.95Å; F108-L126 HydrophobicContact CE1-CD2 3.31Å; F108-L126 HydrophobicContact CE2-CD2 4.32Å; F108-L126 HydrophobicContact CZ-CD2 3.54Å; F108-E145 HydrophobicContact CD1-CG 3.6Å; F108-E145 HydrophobicContact CD2-CG 4.16Å; F108-E145 HydrophobicContact CE1-CB 4.14Å; F108-E145 HydrophobicContact CE1-CG 3.34Å; F108-E145 HydrophobicContact CE2-CB 4.2Å; F108-E145 HydrophobicContact CE2-CG 3.93Å; F108-E145 HydrophobicContact CG-CG 4.01Å; F108-E145 HydrophobicContact CZ-CB 3.84Å; F108-E145 HydrophobicContact CZ-CG 3.51Å; F108-F161 HydrophobicContact CE1-CE1 4.48Å; F108-L165 HydrophobicContact CE1-CD1 4.38Å |
| 109 | K | 90.1 | Very high | 86.7 | Confident | 117 Ų | 117 | 44.4 Ų | 44.4 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 176.8 | -164 | -176 | -173.3 | 178.3 | 0 | 112.3 | Q65 K105 S106 T107 D112 S113 | Q65-K109 HydrophobicContact CG-CD 4.31Å; K105-K109 PolarHBondContact O-N 3.01Å; S106-K109 PolarHBondContact O-N 3.09Å; T107-K109 PolarHBondContact O-N 3.18Å; K109-D112 PolarHBondContact O-N 3.32Å; K109-S113 WeakPolarHBondContact O-CB 3.5Å; K109-S113 PolarHBondContact O-N 2.94Å; K109-S113 VanDerWaalsContact O-N 3.08Å; K109-S113 PolarHBondContact O-OG 2.89Å |
| 110 | I | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.3 | -66.6 | 161.8 | 0 | 0 | 0 | 109.5 | L68 S106 T107 F108 D112 S113 Q114 W122 | L68-I110 HydrophobicContact CB-CD1 4.09Å; L68-I110 HydrophobicContact CB-CG1 4.26Å; L68-I110 HydrophobicContact CD1-CD1 3.7Å; S106-I110 WeakPolarHBondContact O-CD1 3.46Å; S106-I110 VanDerWaalsContact O-CG1 3.25Å; S106-I110 WeakPolarHBondContact O-CG1 3.32Å; S106-I110 PolarHBondContact O-N 2.65Å; T107-I110 PolarHBondContact O-N 3.46Å; F108-I110 VanDerWaalsContact C-N 3.34Å; F108-I110 PolarHBondContact O-N 3.25Å; I110-D112 PolarHBondContact O-N 3.05Å; I110-S113 PolarHBondContact O-N 2.72Å; I110-S113 VanDerWaalsContact O-N 3.08Å; I110-S113 PolarHBondContact O-OG 2.96Å; I110-Q114 HydrophobicContact CG2-CG 3.77Å; I110-Q114 VanDerWaalsContact O-CB 3.31Å; I110-Q114 WeakPolarHBondContact O-CB 3.39Å; I110-Q114 WeakPolarHBondContact O-CG 3.36Å; I110-Q114 PolarHBondContact O-N 3.43Å; I110-Q114 VanDerWaalsContact O-N 3.1Å; I110-W122 HydrophobicContact CD1-CE3 4.43Å; I110-W122 HydrophobicContact CD1-CH2 3.62Å; I110-W122 HydrophobicContact CD1-CZ2 3.84Å; I110-W122 HydrophobicContact CD1-CZ3 3.93Å; I110-W122 HydrophobicContact CG2-CD2 3.91Å; I110-W122 HydrophobicContact CG2-CG 4.06Å; I110-W122 HydrophobicContact CG2-CZ2 4.2Å |
| 111 | I | 89.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.5 | -42.5 | 176.4 | -71.3 | 169.4 | 0 | 0 | 0 | 111.6 | T107 F108 R119 W122 M123 L126 F161 | T107-I111 HydrophobicContact CG2-CD1 3.9Å; T107-I111 VanDerWaalsContact O-CG1 3.29Å; T107-I111 WeakPolarHBondContact O-CG1 3.02Å; T107-I111 PolarHBondContact O-N 3.29Å; F108-I111 WeakPolarHBondContact O-CB 3.5Å; F108-I111 PolarHBondContact O-N 3.4Å; I111-R119 HydrophobicContact CG2-CG 3.98Å; I111-R119 WeakPolarHBondContact O-CG 3.19Å; I111-R119 PolarHBondContact O-NE 3.04Å; I111-W122 HydrophobicContact CD1-CB 4.25Å; I111-W122 HydrophobicContact CG1-CB 3.65Å; I111-M123 HydrophobicContact CD1-CG 4.27Å; I111-M123 HydrophobicContact CG1-CG 4.47Å; I111-M123 HydrophobicContact CG2-CE 3.75Å; I111-M123 HydrophobicContact CG2-CG 4.17Å; I111-L126 HydrophobicContact CD1-CD2 4.19Å; I111-F161 HydrophobicContact CD1-CE1 4.21Å; I111-F161 HydrophobicContact CD1-CZ 4.08Å |
| 112 | D | 87.5 | Confident | 87.1 | Confident | 94 Ų | 94 | 44.2 Ų | 44.2 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.4 | -25.1 | -178.1 | -66.3 | -24.3 | 0 | 0 | 0 | 113.4 | F108 K109 I110 R149 | F108-D112 PolarHBondContact O-N 2.96Å; K109-D112 PolarHBondContact O-N 3.32Å; I110-D112 PolarHBondContact O-N 3.05Å; D112-R149 VanDerWaalsContact CG-NH2 3.3Å; D112-R149 IonicContact OD1-CZ 2.7Å; D112-R149 VanDerWaalsContact OD1-CZ 3.28Å; D112-R149 IonicContact OD1-NH1 3.82Å; D112-R149 PolarHBondContact OD1-NH1 3.31Å; D112-R149 IonicContact OD1-NH2 3.35Å; D112-R149 PolarHBondContact OD1-NH2 2.83Å; D112-R149 IonicContact OD2-CZ 3.03Å; D112-R149 IonicContact OD2-NH2 3.93Å; D112-R149 PolarHBondContact OD2-NH2 3.44Å |
| 113 | S | 84 | Confident | 87.2 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -91.1 | -19.1 | -177.9 | 65.6 | 0 | 0 | 0 | 0 | 115.2 | C69 K109 I110 | C69-S113 PolarHBondContact SG-OG 3.27Å; K109-S113 WeakPolarHBondContact O-CB 3.5Å; K109-S113 PolarHBondContact O-N 2.94Å; K109-S113 VanDerWaalsContact O-N 3.08Å; K109-S113 PolarHBondContact O-OG 2.89Å; I110-S113 PolarHBondContact O-N 2.72Å; I110-S113 VanDerWaalsContact O-N 3.08Å; I110-S113 PolarHBondContact O-OG 2.96Å |
| 114 | Q | 81 | Confident | 87.2 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -100.8 | 162.4 | -163.5 | -75.5 | -61.1 | -27 | 0 | 0 | 115.3 | L68 I110 I118 R119 | L68-Q114 PolarHBondContact O-NE2 2.82Å; I110-Q114 HydrophobicContact CG2-CG 3.77Å; I110-Q114 VanDerWaalsContact O-CB 3.31Å; I110-Q114 WeakPolarHBondContact O-CB 3.39Å; I110-Q114 WeakPolarHBondContact O-CG 3.36Å; I110-Q114 PolarHBondContact O-N 3.43Å; I110-Q114 VanDerWaalsContact O-N 3.1Å; Q114-I118 HydrophobicContact CB-CB 4.1Å; Q114-I118 HydrophobicContact CB-CG2 3.79Å; Q114-I118 HydrophobicContact CG-CB 4.45Å; Q114-I118 HydrophobicContact CG-CG2 3.7Å; Q114-R119 PolarHBondContact O-NE 3.4Å; Q114-R119 PolarHBondContact O-NH2 3.04Å |
| 115 | D | 76.8 | Confident | 87.3 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 67% | 0.668 | 26% | 0.256 | S | S | * | . | trans | -69.2 | 166.8 | 175.5 | -76.4 | -27.7 | 0 | 0 | 0 | 113.6 | V117 I118 R119 | D115-V117 VanDerWaalsContact C-N 3.32Å; D115-V117 PolarHBondContact O-N 3.2Å; D115-V117 VanDerWaalsContact O-N 3.14Å; D115-I118 PolarHBondContact O-N 2.86Å; D115-R119 WeakPolarHBondContact O-CB 3.2Å; D115-R119 PolarHBondContact O-N 3.41Å | ||
| 116 | S | 79.9 | Confident | 87.4 | Confident | 70 Ų | 70 | 41 Ų | 41 | 49% | 0.49 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.5 | -35.7 | -170.5 | -169.7 | 0 | 0 | 0 | 0 | 115.4 | A120 | S116-A120 WeakPolarHBondContact O-CB 3.48Å; S116-A120 PolarHBondContact O-N 3.45Å |
| 117 | V | 84.4 | Confident | 87.3 | Confident | 103 Ų | 103 | 41 Ų | 41 | 62% | 0.624 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -77.3 | -50.2 | -177.6 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | D115 R119 A120 A121 | D115-V117 VanDerWaalsContact C-N 3.32Å; D115-V117 PolarHBondContact O-N 3.2Å; D115-V117 VanDerWaalsContact O-N 3.14Å; V117-R119 VanDerWaalsContact C-N 3.34Å; V117-R119 PolarHBondContact O-N 3.39Å; V117-A120 PolarHBondContact O-N 3.28Å; V117-A121 PolarHBondContact O-N 3.03Å; V117-A121 VanDerWaalsContact O-N 3.16Å |
| 118 | I | 84.9 | Confident | 87.1 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 178.7 | -65.4 | 167.7 | 0 | 0 | 0 | 109 | L75 Q78 Q114 D115 A120 A121 W122 | L75-I118 HydrophobicContact CD1-CD1 4.43Å; L75-I118 HydrophobicContact CD1-CG1 3.75Å; Q78-I118 HydrophobicContact CB-CG2 4.41Å; Q78-I118 HydrophobicContact CG-CD1 4.16Å; Q78-I118 HydrophobicContact CG-CG1 4.4Å; Q78-I118 HydrophobicContact CG-CG2 4.13Å; Q114-I118 HydrophobicContact CB-CB 4.1Å; Q114-I118 HydrophobicContact CB-CG2 3.79Å; Q114-I118 HydrophobicContact CG-CB 4.45Å; Q114-I118 HydrophobicContact CG-CG2 3.7Å; D115-I118 PolarHBondContact O-N 2.86Å; I118-A120 VanDerWaalsContact C-N 3.28Å; I118-A120 PolarHBondContact O-N 3.43Å; I118-A121 WeakPolarHBondContact O-CB 3.25Å; I118-A121 PolarHBondContact O-N 3.23Å; I118-A121 VanDerWaalsContact O-N 3.09Å; I118-W122 VanDerWaalsContact O-CD1 3.22Å; I118-W122 PolarHBondContact O-N 3.45Å; I118-W122 VanDerWaalsContact O-N 3.08Å |
| 119 | R | 86.7 | Confident | 86.9 | Confident | 63 Ų | 63 | 42.4 Ų | 42.4 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -51.8 | -46.5 | 175.4 | -172.5 | -171.8 | -55.2 | 144.1 | 3.3 | 112.1 | I111 Q114 D115 V117 A121 W122 M123 | I111-R119 HydrophobicContact CG2-CG 3.98Å; I111-R119 WeakPolarHBondContact O-CG 3.19Å; I111-R119 PolarHBondContact O-NE 3.04Å; Q114-R119 PolarHBondContact O-NE 3.4Å; Q114-R119 PolarHBondContact O-NH2 3.04Å; D115-R119 WeakPolarHBondContact O-CB 3.2Å; D115-R119 PolarHBondContact O-N 3.41Å; V117-R119 VanDerWaalsContact C-N 3.34Å; V117-R119 PolarHBondContact O-N 3.39Å; R119-A121 PolarHBondContact O-N 2.74Å; R119-W122 PolarHBondContact O-N 3.12Å; R119-M123 HydrophobicContact CG-CE 3.63Å; R119-M123 HydrophobicContact CG-CG 4.39Å; R119-M123 HydrophobicContact CG-SD 4.02Å; R119-M123 WeakPolarHBondContact O-CB 3.35Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 2.96Å |
| 120 | A | 85.9 | Confident | 86.7 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | S116 V117 I118 W122 M123 E124 | S116-A120 WeakPolarHBondContact O-CB 3.48Å; S116-A120 PolarHBondContact O-N 3.45Å; V117-A120 PolarHBondContact O-N 3.28Å; I118-A120 VanDerWaalsContact C-N 3.28Å; I118-A120 PolarHBondContact O-N 3.43Å; A120-W122 PolarHBondContact O-N 3.37Å; A120-M123 PolarHBondContact O-N 3.21Å; A120-E124 WeakPolarHBondContact O-CG 3.45Å; A120-E124 PolarHBondContact O-N 3.36Å |
| 121 | A | 87.1 | Confident | 86.4 | Confident | 23 Ų | 23 | 41.3 Ų | 41.3 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F79 V117 I118 R119 E124 M125 | F79-A121 HydrophobicContact CD1-CB 4.14Å; F79-A121 HydrophobicContact CE1-CB 3.51Å; F79-A121 HydrophobicContact CZ-CB 4.44Å; V117-A121 PolarHBondContact O-N 3.03Å; V117-A121 VanDerWaalsContact O-N 3.16Å; I118-A121 WeakPolarHBondContact O-CB 3.25Å; I118-A121 PolarHBondContact O-N 3.23Å; I118-A121 VanDerWaalsContact O-N 3.09Å; R119-A121 PolarHBondContact O-N 2.74Å; A121-E124 PolarHBondContact O-N 3.44Å; A121-M125 PolarHBondContact O-N 3Å |
| 122 | W | 93.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 176.7 | -76.1 | 94.6 | 0 | 0 | 0 | 112.3 | L68 T81 C82 F85 T107 I110 I111 I118 R119 A120 M125 L126 | L68-W122 HydrophobicContact CD1-CH2 4.19Å; L68-W122 HydrophobicContact CD1-CZ2 4.08Å; T81-W122 HydrophobicContact CG2-CH2 4.29Å; C82-W122 HydrophobicContact CB-CZ2 4.4Å; F85-W122 AromaticContact CD2-CH2 3.84Å; F85-W122 HydrophobicContact CD2-CH2 3.84Å; F85-W122 AromaticContact CD2-CZ3 3.69Å; F85-W122 HydrophobicContact CD2-CZ3 3.69Å; F85-W122 HydrophobicContact CE2-CH2 4.13Å; F85-W122 HydrophobicContact CE2-CZ3 4.24Å; F85-W122 HydrophobicContact CG-CH2 4.35Å; F85-W122 HydrophobicContact CG-CZ3 4.36Å; T107-W122 HydrophobicContact CG2-CE3 4.02Å; I110-W122 HydrophobicContact CD1-CE3 4.43Å; I110-W122 HydrophobicContact CD1-CH2 3.62Å; I110-W122 HydrophobicContact CD1-CZ2 3.84Å; I110-W122 HydrophobicContact CD1-CZ3 3.93Å; I110-W122 HydrophobicContact CG2-CD2 3.91Å; I110-W122 HydrophobicContact CG2-CG 4.06Å; I110-W122 HydrophobicContact CG2-CZ2 4.2Å; I111-W122 HydrophobicContact CD1-CB 4.25Å; I111-W122 HydrophobicContact CG1-CB 3.65Å; I118-W122 VanDerWaalsContact O-CD1 3.22Å; I118-W122 PolarHBondContact O-N 3.45Å; I118-W122 VanDerWaalsContact O-N 3.08Å; R119-W122 PolarHBondContact O-N 3.12Å; A120-W122 PolarHBondContact O-N 3.37Å; W122-M125 HydrophobicContact CD2-CE 4.15Å; W122-M125 HydrophobicContact CE3-CE 3.18Å; W122-M125 HydrophobicContact CH2-CE 4.45Å; W122-M125 HydrophobicContact CZ3-CE 3.37Å; W122-L126 WeakPolarHBondContact O-CB 3.49Å; W122-L126 PolarHBondContact O-N 2.64Å |
| 123 | M | 89.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 173.5 | -76.2 | 177.9 | 170.1 | 0 | 0 | 111.9 | I111 R119 A120 L126 L127 F161 | I111-M123 HydrophobicContact CD1-CG 4.27Å; I111-M123 HydrophobicContact CG1-CG 4.47Å; I111-M123 HydrophobicContact CG2-CE 3.75Å; I111-M123 HydrophobicContact CG2-CG 4.17Å; R119-M123 HydrophobicContact CG-CE 3.63Å; R119-M123 HydrophobicContact CG-CG 4.39Å; R119-M123 HydrophobicContact CG-SD 4.02Å; R119-M123 WeakPolarHBondContact O-CB 3.35Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 2.96Å; A120-M123 PolarHBondContact O-N 3.21Å; M123-L126 PolarHBondContact O-N 3.45Å; M123-L127 VanDerWaalsContact O-CG 3.27Å; M123-L127 WeakPolarHBondContact O-CG 3.46Å; M123-L127 PolarHBondContact O-N 3.26Å; M123-F161 HydrophobicContact CB-CD2 3.63Å; M123-F161 HydrophobicContact CB-CE2 3.42Å; M123-F161 VanDerWaalsContact CB-CE2 3.42Å; M123-F161 HydrophobicContact CB-CG 4.44Å; M123-F161 HydrophobicContact CB-CZ 4.08Å; M123-F161 HydrophobicContact CE-CB 3.66Å; M123-F161 HydrophobicContact CE-CD1 3.8Å; M123-F161 HydrophobicContact CE-CD2 4.29Å; M123-F161 HydrophobicContact CE-CG 3.65Å; M123-F161 HydrophobicContact CG-CD1 4.12Å; M123-F161 HydrophobicContact CG-CD2 3.47Å; M123-F161 VanDerWaalsContact CG-CD2 3.47Å; M123-F161 HydrophobicContact CG-CE1 4.11Å; M123-F161 HydrophobicContact CG-CE2 3.47Å; M123-F161 VanDerWaalsContact CG-CE2 3.47Å; M123-F161 HydrophobicContact CG-CG 3.79Å; M123-F161 HydrophobicContact CG-CZ 3.78Å; M123-F161 HydrophobicContact SD-CB 3.87Å; M123-F161 HydrophobicContact SD-CD1 4.37Å; M123-F161 HydrophobicContact SD-CD2 3.79Å; M123-F161 HydrophobicContact SD-CE2 4.41Å; M123-F161 HydrophobicContact SD-CG 3.74Å |
| 124 | E | 89.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 40 Ų | 40 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.9 | -68.4 | -54.2 | 141.6 | 0 | 0 | 111.8 | A120 A121 L126 L127 D128 R164 | A120-E124 WeakPolarHBondContact O-CG 3.45Å; A120-E124 PolarHBondContact O-N 3.36Å; A121-E124 PolarHBondContact O-N 3.44Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.28Å; E124-L127 WeakPolarHBondContact O-CB 3.44Å; E124-L127 PolarHBondContact O-N 3.28Å; E124-D128 PolarHBondContact O-N 3.46Å; E124-R164 IonicContact OE1-CZ 3.93Å; E124-R164 IonicContact OE1-NH1 3.61Å; E124-R164 PolarHBondContact OE1-NH1 2.88Å; E124-R164 IonicContact OE1-NH2 3.96Å; E124-R164 PolarHBondContact OE1-NH2 3.17Å; E124-R164 IonicContact OE2-CZ 3.57Å; E124-R164 IonicContact OE2-NH2 2.81Å; E124-R164 PolarHBondContact OE2-NH2 3.3Å |
| 125 | M | 91.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 175.6 | 175.9 | -89.4 | -71.1 | 0 | 0 | 112.3 | C82 F85 R86 T107 A121 W122 L127 D128 L129 | C82-M125 HydrophobicContact CB-CE 4.43Å; C82-M125 WeakPolarHBondContact SG-CB 3.42Å; C82-M125 VanDerWaalsContact SG-CE 3.51Å; C82-M125 WeakPolarHBondContact SG-CG 3.41Å; F85-M125 HydrophobicContact CB-CE 4.47Å; R86-M125 HydrophobicContact CB-CG 4.07Å; R86-M125 HydrophobicContact CB-SD 4.48Å; R86-M125 HydrophobicContact CG-CG 4.43Å; T107-M125 HydrophobicContact CG2-CE 4.27Å; A121-M125 PolarHBondContact O-N 3Å; W122-M125 HydrophobicContact CD2-CE 4.15Å; W122-M125 HydrophobicContact CE3-CE 3.18Å; W122-M125 HydrophobicContact CH2-CE 4.45Å; W122-M125 HydrophobicContact CZ3-CE 3.37Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-D128 PolarHBondContact O-N 2.93Å; M125-L129 VanDerWaalsContact O-CB 3.25Å; M125-L129 WeakPolarHBondContact O-CB 3.3Å; M125-L129 PolarHBondContact O-N 3.45Å; M125-L129 HydrophobicContact SD-CD2 4.41Å |
| 126 | L | 92.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.3 | -35.8 | 176.9 | -173.4 | 57 | 0 | 0 | 0 | 112.2 | L104 T107 F108 I111 W122 M123 E124 L129 T130 I142 F161 L165 | L104-L126 HydrophobicContact CD2-CD1 3.55Å; T107-L126 HydrophobicContact CG2-CB 4.19Å; T107-L126 HydrophobicContact CG2-CD1 4.29Å; T107-L126 HydrophobicContact CG2-CD2 4.09Å; T107-L126 HydrophobicContact CG2-CG 4.42Å; F108-L126 HydrophobicContact CD1-CD2 3.95Å; F108-L126 HydrophobicContact CE1-CD2 3.31Å; F108-L126 HydrophobicContact CE2-CD2 4.32Å; F108-L126 HydrophobicContact CZ-CD2 3.54Å; I111-L126 HydrophobicContact CD1-CD2 4.19Å; W122-L126 WeakPolarHBondContact O-CB 3.49Å; W122-L126 PolarHBondContact O-N 2.64Å; M123-L126 PolarHBondContact O-N 3.45Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.28Å; L126-L129 HydrophobicContact CD1-CD2 4.34Å; L126-L129 PolarHBondContact O-N 3.35Å; L126-T130 WeakPolarHBondContact O-CB 3.34Å; L126-T130 PolarHBondContact O-N 3.18Å; L126-T130 PolarHBondContact O-OG1 2.99Å; L126-I142 HydrophobicContact CD1-CD1 4.42Å; L126-F161 HydrophobicContact CB-CZ 4.4Å; L126-F161 HydrophobicContact CD2-CE1 4.45Å; L126-F161 HydrophobicContact CD2-CZ 3.87Å; L126-F161 HydrophobicContact CG-CZ 4.5Å; L126-L165 HydrophobicContact CD2-CD2 4.42Å; L126-L165 HydrophobicContact CG-CD2 4.23Å |
| 127 | L | 87.2 | Confident | 87 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 174.7 | -73.6 | 166.5 | 0 | 0 | 0 | 112 | M123 E124 M125 F161 R164 L165 K168 | M123-L127 VanDerWaalsContact O-CG 3.27Å; M123-L127 WeakPolarHBondContact O-CG 3.46Å; M123-L127 PolarHBondContact O-N 3.26Å; E124-L127 WeakPolarHBondContact O-CB 3.44Å; E124-L127 PolarHBondContact O-N 3.28Å; M125-L127 VanDerWaalsContact C-N 3.34Å; L127-F161 HydrophobicContact CD1-CE2 4.37Å; L127-F161 HydrophobicContact CD2-CE2 4.49Å; L127-F161 HydrophobicContact CG-CE2 4.09Å; L127-R164 HydrophobicContact CD1-CB 4.17Å; L127-R164 VanDerWaalsContact CD1-NH2 3.26Å; L127-R164 HydrophobicContact CD2-CB 3.76Å; L127-L165 HydrophobicContact CD2-CD2 3.92Å; L127-L165 HydrophobicContact CD2-CG 4.16Å; L127-K168 HydrophobicContact CB-CG 4.48Å; L127-K168 HydrophobicContact CD2-CG 3.73Å |
| 128 | D | 86.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 30.9 Ų | 30.9 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 173.5 | -73.9 | -18.9 | 0 | 0 | 0 | 110.8 | E124 M125 T130 E131 | E124-D128 PolarHBondContact O-N 3.46Å; M125-D128 PolarHBondContact O-N 2.93Å; D128-T130 VanDerWaalsContact C-N 3.27Å; D128-T130 PolarHBondContact O-N 3.44Å; D128-E131 PolarHBondContact O-N 2.79Å |
| 129 | L | 88.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -33.9 | -178.9 | -176.4 | 63.1 | 0 | 0 | 0 | 112.3 | A89 Q90 L104 M125 L126 E131 E132 L133 | A89-L129 HydrophobicContact CB-CD1 3.57Å; A89-L129 HydrophobicContact CB-CD2 3.64Å; A89-L129 HydrophobicContact CB-CG 4.2Å; Q90-L129 HydrophobicContact CG-CD1 4.19Å; L104-L129 HydrophobicContact CD2-CD2 4.07Å; M125-L129 VanDerWaalsContact O-CB 3.25Å; M125-L129 WeakPolarHBondContact O-CB 3.3Å; M125-L129 PolarHBondContact O-N 3.45Å; M125-L129 HydrophobicContact SD-CD2 4.41Å; L126-L129 HydrophobicContact CD1-CD2 4.34Å; L126-L129 PolarHBondContact O-N 3.35Å; L129-E131 PolarHBondContact O-N 3.5Å; L129-E132 PolarHBondContact O-N 3.1Å; L129-L133 HydrophobicContact CD1-CD1 4.44Å; L129-L133 HydrophobicContact CD1-CD2 4.03Å; L129-L133 HydrophobicContact CD1-CG 3.97Å; L129-L133 HydrophobicContact CD2-CD1 4.15Å; L129-L133 HydrophobicContact CG-CD1 3.77Å; L129-L133 HydrophobicContact CG-CD2 4.25Å; L129-L133 HydrophobicContact CG-CG 3.82Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 3.21Å; L129-L133 VanDerWaalsContact O-N 3.11Å |
| 130 | T | 84.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.6 | -31.6 | 178 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | L126 D128 E132 V138 I142 K168 I169 R172 | L126-T130 WeakPolarHBondContact O-CB 3.34Å; L126-T130 PolarHBondContact O-N 3.18Å; L126-T130 PolarHBondContact O-OG1 2.99Å; D128-T130 VanDerWaalsContact C-N 3.27Å; D128-T130 PolarHBondContact O-N 3.44Å; T130-E132 VanDerWaalsContact C-N 3.33Å; T130-V138 HydrophobicContact CG2-CG1 4.14Å; T130-I142 HydrophobicContact CG2-CD1 4.41Å; T130-I142 HydrophobicContact CG2-CG2 4.5Å; T130-K168 HydrophobicContact CG2-CB 4.03Å; T130-I169 HydrophobicContact CG2-CG1 3.91Å; T130-R172 VanDerWaalsContact O-CD 3.29Å; T130-R172 WeakPolarHBondContact O-CD 3.42Å; T130-R172 PolarHBondContact O-NH1 3.22Å |
| 131 | E | 83 | Confident | 87.2 | Confident | 94 Ų | 94 | 31 Ų | 31 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.8 | -27.4 | 177.3 | -64.4 | -172 | 178.1 | 0 | 0 | 113.1 | D128 L129 K168 | D128-E131 PolarHBondContact O-N 2.79Å; L129-E131 PolarHBondContact O-N 3.5Å; E131-K168 HydrophobicContact CG-CD 4.1Å; E131-K168 VanDerWaalsContact OE1-CD 3.27Å; E131-K168 WeakPolarHBondContact OE1-CD 3.3Å; E131-K168 WeakPolarHBondContact OE1-CE 3.46Å; E131-K168 IonicContact OE1-NZ 3.94Å; E131-K168 PolarHBondContact OE1-NZ 3Å |
| 132 | E | 84.3 | Confident | 87.4 | Confident | 91 Ų | 91 | 30 Ų | 30 | 43% | 0.425 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -103 | -19.6 | -167 | -57.8 | -172.7 | -158.6 | 0 | 0 | 113.4 | Q90 L129 T130 | Q90-E132 HydrophobicContact CG-CB 4.43Å; Q90-E132 WeakPolarHBondContact CG-OE2 3.28Å; Q90-E132 PolarHBondContact NE2-OE2 3.09Å; L129-E132 PolarHBondContact O-N 3.1Å; T130-E132 VanDerWaalsContact C-N 3.33Å |
| 133 | L | 86.6 | Confident | 86.9 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -69.1 | 164.2 | -179.3 | -74.6 | 173.8 | 0 | 0 | 0 | 114.2 | A89 C100 L104 L129 V138 I142 R172 | A89-L133 HydrophobicContact CB-CD2 4.28Å; C100-L133 WeakPolarHBondContact SG-CD2 3.14Å; L104-L133 HydrophobicContact CD1-CD1 4.11Å; L104-L133 HydrophobicContact CD2-CD1 4.07Å; L129-L133 HydrophobicContact CD1-CD1 4.44Å; L129-L133 HydrophobicContact CD1-CD2 4.03Å; L129-L133 HydrophobicContact CD1-CG 3.97Å; L129-L133 HydrophobicContact CD2-CD1 4.15Å; L129-L133 HydrophobicContact CG-CD1 3.77Å; L129-L133 HydrophobicContact CG-CD2 4.25Å; L129-L133 HydrophobicContact CG-CG 3.82Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 3.21Å; L129-L133 VanDerWaalsContact O-N 3.11Å; L133-V138 HydrophobicContact CB-CG2 3.79Å; L133-I142 HydrophobicContact CD1-CD1 3.71Å; L133-R172 PolarHBondContact O-NH1 3.42Å; L133-R172 PolarHBondContact O-NH2 2.95Å |
| 134 | A | 84.8 | Confident | 86.8 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 22% | 0.223 | 19% | 0.194 | C | C | . | . | trans | -64 | 140.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A136 I137 V138 | A134-A136 VanDerWaalsContact C-N 3.25Å; A134-A136 PolarHBondContact O-N 2.79Å; A134-I137 HydrophobicContact CB-CD1 4.24Å; A134-I137 HydrophobicContact CB-CG1 4.35Å; A134-I137 PolarHBondContact O-N 3.44Å; A134-I137 VanDerWaalsContact O-N 3.15Å; A134-V138 PolarHBondContact O-N 3.26Å | ||
| 135 | P | 83.8 | Confident | 86.7 | Confident | 64 Ų | 64 | 32.3 Ų | 32.3 | 42% | 0.416 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -51.8 | -40.8 | 178.8 | -29.5 | 36 | 0 | 0 | 0 | 114.1 | I137 V138 L139 I174 | P135-I137 PolarHBondContact O-N 3.4Å; P135-V138 PolarHBondContact O-N 3.12Å; P135-L139 WeakPolarHBondContact O-CG 3.42Å; P135-L139 PolarHBondContact O-N 2.89Å; P135-I174 HydrophobicContact CB-CB 4.11Å; P135-I174 HydrophobicContact CB-CD1 4.47Å; P135-I174 HydrophobicContact CB-CG2 3.7Å; P135-I174 HydrophobicContact CG-CG2 3.88Å |
| 136 | A | 84.2 | Confident | 86.2 | Confident | 56 Ų | 56 | 32.2 Ų | 32.2 | 46% | 0.463 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A134 V138 L139 S140 | A134-A136 VanDerWaalsContact C-N 3.25Å; A134-A136 PolarHBondContact O-N 2.79Å; A136-V138 VanDerWaalsContact C-N 3.35Å; A136-V138 PolarHBondContact O-N 3.14Å; A136-L139 PolarHBondContact O-N 3.08Å; A136-S140 WeakPolarHBondContact O-CB 3.34Å; A136-S140 PolarHBondContact O-N 3.29Å; A136-S140 PolarHBondContact O-OG 3.44Å |
| 137 | I | 87.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 179.4 | -60.5 | 175.3 | 0 | 0 | 0 | 110.8 | E97 C100 L104 A134 P135 L139 S140 D141 | E97-I137 HydrophobicContact CG-CD1 4.23Å; C100-I137 HydrophobicContact CB-CD1 4.18Å; L104-I137 HydrophobicContact CD1-CG2 3.47Å; L104-I137 VanDerWaalsContact CD1-CG2 3.47Å; A134-I137 HydrophobicContact CB-CD1 4.24Å; A134-I137 HydrophobicContact CB-CG1 4.35Å; A134-I137 PolarHBondContact O-N 3.44Å; A134-I137 VanDerWaalsContact O-N 3.15Å; P135-I137 PolarHBondContact O-N 3.4Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.34Å; I137-S140 PolarHBondContact O-N 3.03Å; I137-D141 HydrophobicContact CG2-CB 4.48Å; I137-D141 WeakPolarHBondContact O-CB 3.27Å; I137-D141 PolarHBondContact O-N 3.1Å |
| 138 | V | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -63.9 | -42.7 | 178.7 | 177 | 0 | 0 | 0 | 0 | 111.2 | T130 L133 A134 P135 A136 I142 L143 I169 I174 | T130-V138 HydrophobicContact CG2-CG1 4.14Å; L133-V138 HydrophobicContact CB-CG2 3.79Å; A134-V138 PolarHBondContact O-N 3.26Å; P135-V138 PolarHBondContact O-N 3.12Å; A136-V138 VanDerWaalsContact C-N 3.35Å; A136-V138 PolarHBondContact O-N 3.14Å; V138-I142 HydrophobicContact CG1-CB 4.39Å; V138-I142 HydrophobicContact CG2-CD1 4.17Å; V138-I142 WeakPolarHBondContact O-CB 3.46Å; V138-I142 PolarHBondContact O-N 3.27Å; V138-L143 PolarHBondContact O-N 2.91Å; V138-I169 HydrophobicContact CG1-CB 4.46Å; V138-I169 HydrophobicContact CG1-CD1 4.14Å; V138-I169 HydrophobicContact CG1-CG1 3.64Å; V138-I169 HydrophobicContact CG1-CG2 4.25Å; V138-I174 HydrophobicContact CB-CD1 3.84Å; V138-I174 HydrophobicContact CG1-CD1 3.64Å |
| 139 | L | 86.5 | Confident | 84.9 | Confident | 51 Ų | 51 | 34.1 Ų | 34.1 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -71 | -38.4 | 178.1 | -66.4 | 175.7 | 0 | 0 | 0 | 112.8 | P135 A136 I137 L143 P144 I174 I175 | P135-L139 WeakPolarHBondContact O-CG 3.42Å; P135-L139 PolarHBondContact O-N 2.89Å; A136-L139 PolarHBondContact O-N 3.08Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.34Å; L139-L143 HydrophobicContact CD2-CD2 3.98Å; L139-P144 WeakPolarHBondContact O-CD 3.39Å; L139-I174 HydrophobicContact CD2-CD1 4.08Å; L139-I174 HydrophobicContact CD2-CG1 4.11Å; L139-I174 HydrophobicContact CG-CD1 4.1Å; L139-I174 HydrophobicContact CG-CG1 4.42Å; L139-I175 HydrophobicContact CD2-CG1 3.97Å |
| 140 | S | 85.8 | Confident | 83.9 | Confident | 54 Ų | 54 | 34.3 Ų | 34.3 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -82.7 | -34 | -177.2 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | R101 A136 I137 | R101-S140 PolarHBondContact NH1-OG 3.36Å; A136-S140 WeakPolarHBondContact O-CB 3.34Å; A136-S140 PolarHBondContact O-N 3.29Å; A136-S140 PolarHBondContact O-OG 3.44Å; I137-S140 PolarHBondContact O-N 3.03Å |
| 141 | D | 87.9 | Confident | 83.2 | Confident | 29 Ų | 29 | 39.4 Ų | 39.4 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -116.2 | -32.6 | -169 | -57.6 | -99.6 | 0 | 0 | 0 | 113.4 | R101 L104 I137 | R101-D141 IonicContact CZ-OD1 2.69Å; R101-D141 IonicContact CZ-OD2 2.79Å; R101-D141 IonicContact NE-OD2 3.92Å; R101-D141 VanDerWaalsContact NH1-CG 3.33Å; R101-D141 IonicContact NH1-OD1 3.23Å; R101-D141 PolarHBondContact NH1-OD1 2.81Å; R101-D141 IonicContact NH1-OD2 2.89Å; R101-D141 PolarHBondContact NH1-OD2 3.46Å; R101-D141 IonicContact NH2-OD2 2.89Å; L104-D141 HydrophobicContact CD1-CB 4.32Å; I137-D141 HydrophobicContact CG2-CB 4.48Å; I137-D141 WeakPolarHBondContact O-CB 3.27Å; I137-D141 PolarHBondContact O-N 3.1Å |
| 142 | I | 89.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -94.1 | -43.7 | -177.1 | -54.3 | -174.3 | 0 | 0 | 0 | 111.4 | L104 L126 T130 L133 V138 E145 A146 L165 I169 | L104-I142 HydrophobicContact CD1-CD1 4.49Å; L104-I142 HydrophobicContact CD1-CG1 4.34Å; L104-I142 HydrophobicContact CD2-CD1 4.25Å; L126-I142 HydrophobicContact CD1-CD1 4.42Å; T130-I142 HydrophobicContact CG2-CD1 4.41Å; T130-I142 HydrophobicContact CG2-CG2 4.5Å; L133-I142 HydrophobicContact CD1-CD1 3.71Å; V138-I142 HydrophobicContact CG1-CB 4.39Å; V138-I142 HydrophobicContact CG2-CD1 4.17Å; V138-I142 WeakPolarHBondContact O-CB 3.46Å; V138-I142 PolarHBondContact O-N 3.27Å; I142-E145 PolarHBondContact O-N 3.07Å; I142-A146 WeakPolarHBondContact O-CB 3.48Å; I142-A146 PolarHBondContact O-N 2.85Å; I142-L165 HydrophobicContact CG2-CD1 4.45Å; I142-L165 HydrophobicContact CG2-CD2 3.95Å; I142-I169 HydrophobicContact CG2-CD1 4.06Å |
| 143 | L | 84.5 | Confident | 81.9 | Confident | 29 Ų | 29 | 44 Ų | 44 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -50.8 | -177.9 | 176.1 | 63.6 | 0 | 0 | 0 | 112.4 | V138 L139 E145 A146 V147 L166 I169 L185 | V138-L143 PolarHBondContact O-N 2.91Å; L139-L143 HydrophobicContact CD2-CD2 3.98Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 3.46Å; L143-A146 WeakPolarHBondContact O-CB 3.33Å; L143-A146 PolarHBondContact O-N 3.21Å; L143-A146 VanDerWaalsContact O-N 3.13Å; L143-V147 HydrophobicContact CD1-CG2 4.18Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.28Å; L143-V147 PolarHBondContact O-N 3.2Å; L143-L166 HydrophobicContact CD1-CD2 3.58Å; L143-I169 HydrophobicContact CB-CD1 4.06Å; L143-I169 HydrophobicContact CD1-CD1 4.13Å; L143-L185 HydrophobicContact CD1-CD2 4.43Å |
| 144 | P | 86.6 | Confident | 81.4 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | -179.9 | -23.1 | 35.4 | 0 | 0 | 0 | 112.7 | L139 V147 S148 | L139-P144 WeakPolarHBondContact O-CD 3.39Å; P144-V147 PolarHBondContact O-N 3.17Å; P144-S148 WeakPolarHBondContact O-CB 3.33Å; P144-S148 PolarHBondContact O-N 2.69Å |
| 145 | E | 87.2 | Confident | 80.9 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69 | -38.2 | 177.9 | -170.7 | 56.7 | -155.8 | 0 | 0 | 111.4 | F108 I142 L143 S148 R149 | F108-E145 HydrophobicContact CD1-CG 3.6Å; F108-E145 HydrophobicContact CD2-CG 4.16Å; F108-E145 HydrophobicContact CE1-CB 4.14Å; F108-E145 HydrophobicContact CE1-CG 3.34Å; F108-E145 HydrophobicContact CE2-CB 4.2Å; F108-E145 HydrophobicContact CE2-CG 3.93Å; F108-E145 HydrophobicContact CG-CG 4.01Å; F108-E145 HydrophobicContact CZ-CB 3.84Å; F108-E145 HydrophobicContact CZ-CG 3.51Å; I142-E145 PolarHBondContact O-N 3.07Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 3.46Å; E145-S148 PolarHBondContact O-N 2.93Å; E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 WeakPolarHBondContact O-CG 3.47Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 2.76Å; E145-R149 IonicContact OE1-NE 3.07Å; E145-R149 PolarHBondContact OE1-NE 2.87Å; E145-R149 IonicContact OE1-NH2 2.61Å; E145-R149 PolarHBondContact OE1-NH2 2.85Å |
| 146 | A | 82.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I142 L143 R149 C150 L165 L166 I169 | I142-A146 WeakPolarHBondContact O-CB 3.48Å; I142-A146 PolarHBondContact O-N 2.85Å; L143-A146 WeakPolarHBondContact O-CB 3.33Å; L143-A146 PolarHBondContact O-N 3.21Å; L143-A146 VanDerWaalsContact O-N 3.13Å; A146-R149 PolarHBondContact O-N 3.33Å; A146-C150 PolarHBondContact O-N 3.37Å; A146-C150 PolarHBondContact O-SG 3.04Å; A146-C150 VanDerWaalsContact O-SG 3.33Å; A146-L165 HydrophobicContact CB-CB 3.69Å; A146-L165 HydrophobicContact CB-CD1 4.16Å; A146-L166 HydrophobicContact CB-CD2 3.62Å; A146-L166 HydrophobicContact CB-CG 3.84Å; A146-I169 HydrophobicContact CB-CD1 4.39Å |
| 147 | V | 76.4 | Confident | 79.4 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62 | -48 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | L143 P144 R149 C150 L166 L185 | L143-V147 HydrophobicContact CD1-CG2 4.18Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.28Å; L143-V147 PolarHBondContact O-N 3.2Å; P144-V147 PolarHBondContact O-N 3.17Å; V147-R149 PolarHBondContact O-N 3.03Å; V147-C150 WeakPolarHBondContact O-CB 3.33Å; V147-C150 PolarHBondContact O-N 3.23Å; V147-C150 VanDerWaalsContact O-N 3.07Å; V147-L166 HydrophobicContact CG2-CD2 4.32Å; V147-L185 HydrophobicContact CB-CD1 4.32Å; V147-L185 HydrophobicContact CG1-CD1 4.29Å; V147-L185 HydrophobicContact CG2-CD1 3.37Å |
| 148 | S | 81.5 | Confident | 78.9 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57 | -38.4 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | P144 E145 C150 Q151 R154 | P144-S148 WeakPolarHBondContact O-CB 3.33Å; P144-S148 PolarHBondContact O-N 2.69Å; E145-S148 PolarHBondContact O-N 2.93Å; S148-C150 VanDerWaalsContact C-N 3.34Å; S148-Q151 WeakPolarHBondContact O-CG 3.35Å; S148-R154 PolarHBondContact OG-NH2 3.37Å; S148-R154 VanDerWaalsContact OG-NH2 3.15Å |
| 149 | R | 80.5 | Confident | 78.1 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73 | -23.9 | 178.9 | -72.9 | 177.8 | -175.2 | -91.7 | -11.9 | 113.3 | D112 E145 A146 V147 Q151 T158 R159 | D112-R149 VanDerWaalsContact CG-NH2 3.3Å; D112-R149 IonicContact OD1-CZ 2.7Å; D112-R149 VanDerWaalsContact OD1-CZ 3.28Å; D112-R149 IonicContact OD1-NH1 3.82Å; D112-R149 PolarHBondContact OD1-NH1 3.31Å; D112-R149 IonicContact OD1-NH2 3.35Å; D112-R149 PolarHBondContact OD1-NH2 2.83Å; D112-R149 IonicContact OD2-CZ 3.03Å; D112-R149 IonicContact OD2-NH2 3.93Å; D112-R149 PolarHBondContact OD2-NH2 3.44Å; E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 WeakPolarHBondContact O-CG 3.47Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 2.76Å; E145-R149 IonicContact OE1-NE 3.07Å; E145-R149 PolarHBondContact OE1-NE 2.87Å; E145-R149 IonicContact OE1-NH2 2.61Å; E145-R149 PolarHBondContact OE1-NH2 2.85Å; A146-R149 PolarHBondContact O-N 3.33Å; V147-R149 PolarHBondContact O-N 3.03Å; R149-Q151 VanDerWaalsContact C-N 3.33Å; R149-T158 HydrophobicContact CB-CG2 3.8Å; R149-T158 HydrophobicContact CG-CG2 3.73Å; R149-R159 VanDerWaalsContact O-CA 3.25Å; R149-R159 WeakPolarHBondContact O-CA 3.2Å; R149-R159 WeakPolarHBondContact O-CG 3.38Å; R149-R159 PolarHBondContact O-N 3.2Å |
| 150 | C | 67 | Low | 77.2 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.9 | 177.3 | -71.9 | 0 | 0 | 0 | 0 | 114.9 | A146 V147 S148 G163 Q192 | A146-C150 PolarHBondContact O-N 3.37Å; A146-C150 PolarHBondContact O-SG 3.04Å; A146-C150 VanDerWaalsContact O-SG 3.33Å; V147-C150 WeakPolarHBondContact O-CB 3.33Å; V147-C150 PolarHBondContact O-N 3.23Å; V147-C150 VanDerWaalsContact O-N 3.07Å; S148-C150 VanDerWaalsContact C-N 3.34Å; C150-G163 PolarHBondContact SG-N 3.12Å; C150-Q192 PolarHBondContact O-NE2 3.36Å; C150-Q192 VanDerWaalsContact O-NE2 3.15Å |
| 151 | Q | 71.4 | Confident | 76.8 | Confident | 107 Ų | 107 | 51.5 Ų | 51.5 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -59.3 | 142.3 | -178.9 | -66.9 | 176.6 | -7.6 | 0 | 0 | 112.4 | S148 R149 M153 R154 R159 | S148-Q151 WeakPolarHBondContact O-CG 3.35Å; R149-Q151 VanDerWaalsContact C-N 3.33Å; Q151-M153 PolarHBondContact O-N 2.88Å; Q151-M153 VanDerWaalsContact O-N 3.12Å; Q151-R154 HydrophobicContact CB-CG 4.24Å; Q151-R154 WeakPolarHBondContact O-CB 3.37Å; Q151-R154 PolarHBondContact O-N 3.48Å; Q151-R159 VanDerWaalsContact O-CD 3.3Å; Q151-R159 WeakPolarHBondContact O-CD 3.34Å |
| 152 | C | 64.1 | Low | 76.1 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 72% | 0.716 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.4 | -175.1 | 58.4 | 0 | 0 | 0 | 0 | 114 | R154 R159 | C152-R154 VanDerWaalsContact C-N 3.26Å; C152-R154 PolarHBondContact O-N 3.43Å; C152-R159 PolarHBondContact O-NH1 3.12Å |
| 153 | M | 75.1 | Confident | 75.1 | Confident | 176 Ų | 176 | 50.1 Ų | 50.1 | 87% | 0.867 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.5 | 179.7 | -60.3 | -58.7 | -156.6 | 0 | 0 | 114 | Q151 | Q151-M153 PolarHBondContact O-N 2.88Å; Q151-M153 VanDerWaalsContact O-N 3.12Å |
| 154 | R | 75.2 | Confident | 74.5 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 38% | 0.377 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -82 | 163.4 | 179.8 | -62.4 | -65.9 | -167.1 | 150.4 | 5.5 | 111.6 | S148 Q151 C152 T158 R159 | S148-R154 PolarHBondContact OG-NH2 3.37Å; S148-R154 VanDerWaalsContact OG-NH2 3.15Å; Q151-R154 HydrophobicContact CB-CG 4.24Å; Q151-R154 WeakPolarHBondContact O-CB 3.37Å; Q151-R154 PolarHBondContact O-N 3.48Å; C152-R154 VanDerWaalsContact C-N 3.26Å; C152-R154 PolarHBondContact O-N 3.43Å; R154-T158 HydrophobicContact CB-CG2 4.11Å; R154-T158 HydrophobicContact CG-CG2 4.4Å; R154-R159 HydrophobicContact CB-CG 3.93Å; R154-R159 PolarHBondContact O-NH1 3.14Å |
| 155 | S | 74.8 | Confident | 74.1 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | trans | -64.3 | 152.5 | 175.6 | 83.6 | 0 | 0 | 0 | 0 | 112 | Q157 T158 R159 | S155-Q157 VanDerWaalsContact C-N 3.31Å; S155-Q157 PolarHBondContact O-N 3.42Å; S155-T158 WeakPolarHBondContact O-CB 3.5Å; S155-T158 PolarHBondContact O-N 3.14Å; S155-T158 VanDerWaalsContact O-N 3.1Å; S155-T158 WeakPolarHBondContact OG-CB 3.35Å; S155-T158 PolarHBondContact OG-N 3.29Å; S155-T158 PolarHBondContact OG-OG1 3.5Å; S155-R159 WeakPolarHBondContact O-CG 3.47Å; S155-R159 PolarHBondContact O-N 3.15Å | ||
| 156 | P | 66.7 | Low | 73.3 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.8 | -42.5 | 178.7 | -24.5 | 32.4 | 0 | 0 | 0 | 114 | T158 R159 L160 E194 | P156-T158 PolarHBondContact O-N 3.2Å; P156-R159 PolarHBondContact O-N 3.45Å; P156-L160 WeakPolarHBondContact O-CB 2.95Å; P156-L160 PolarHBondContact O-N 3.37Å; P156-E194 WeakPolarHBondContact CB-OE1 3.48Å; P156-E194 WeakPolarHBondContact CB-OE2 3.49Å |
| 157 | Q | 70.7 | Confident | 72.4 | Confident | 98 Ų | 98 | 46.2 Ų | 46.2 | 46% | 0.458 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.2 | -67.6 | -174.3 | -23.3 | 0 | 0 | 112.6 | S155 F161 | S155-Q157 VanDerWaalsContact C-N 3.31Å; S155-Q157 PolarHBondContact O-N 3.42Å; Q157-F161 PolarHBondContact O-N 2.84Å |
| 158 | T | 75.9 | Confident | 72.1 | Confident | 28 Ų | 28 | 45.5 Ų | 45.5 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | R149 R154 S155 P156 F161 G162 | R149-T158 HydrophobicContact CB-CG2 3.8Å; R149-T158 HydrophobicContact CG-CG2 3.73Å; R154-T158 HydrophobicContact CB-CG2 4.11Å; R154-T158 HydrophobicContact CG-CG2 4.4Å; S155-T158 WeakPolarHBondContact O-CB 3.5Å; S155-T158 PolarHBondContact O-N 3.14Å; S155-T158 VanDerWaalsContact O-N 3.1Å; S155-T158 WeakPolarHBondContact OG-CB 3.35Å; S155-T158 PolarHBondContact OG-N 3.29Å; S155-T158 PolarHBondContact OG-OG1 3.5Å; P156-T158 PolarHBondContact O-N 3.2Å; T158-F161 PolarHBondContact O-N 3.29Å; T158-G162 PolarHBondContact O-N 3.17Å |
| 159 | R | 71.7 | Confident | 71.6 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 178 | -64.1 | -170.2 | -51.4 | -107.1 | 1.2 | 112.1 | R149 Q151 C152 R154 S155 P156 F161 G162 G163 Q192 | R149-R159 VanDerWaalsContact O-CA 3.25Å; R149-R159 WeakPolarHBondContact O-CA 3.2Å; R149-R159 WeakPolarHBondContact O-CG 3.38Å; R149-R159 PolarHBondContact O-N 3.2Å; Q151-R159 VanDerWaalsContact O-CD 3.3Å; Q151-R159 WeakPolarHBondContact O-CD 3.34Å; C152-R159 PolarHBondContact O-NH1 3.12Å; R154-R159 HydrophobicContact CB-CG 3.93Å; R154-R159 PolarHBondContact O-NH1 3.14Å; S155-R159 WeakPolarHBondContact O-CG 3.47Å; S155-R159 PolarHBondContact O-N 3.15Å; P156-R159 PolarHBondContact O-N 3.45Å; R159-F161 VanDerWaalsContact C-N 3.32Å; R159-F161 PolarHBondContact O-N 2.94Å; R159-G162 PolarHBondContact O-N 3.13Å; R159-G163 PolarHBondContact O-N 3.33Å; R159-Q192 VanDerWaalsContact CB-OE1 3.31Å |
| 160 | L | 66.7 | Low | 70.8 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 174.7 | 173.9 | 61 | 0 | 0 | 0 | 111.7 | P156 G163 R164 H196 | P156-L160 WeakPolarHBondContact O-CB 2.95Å; P156-L160 PolarHBondContact O-N 3.37Å; L160-G163 PolarHBondContact O-N 3.4Å; L160-R164 HydrophobicContact CD1-CG 4.49Å; L160-R164 WeakPolarHBondContact O-CG 3.48Å; L160-R164 PolarHBondContact O-N 2.92Å; L160-H196 HydrophobicContact CD1-CB 3.33Å; L160-H196 WeakPolarHBondContact CD1-O 3.26Å; L160-H196 HydrophobicContact CD2-CB 3.65Å; L160-H196 HydrophobicContact CG-CB 4.13Å |
| 161 | F | 77.3 | Confident | 70.6 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 178.1 | 176.1 | -118.3 | 0 | 0 | 0 | 112.6 | F108 I111 M123 L126 L127 Q157 T158 R159 G163 R164 L165 | F108-F161 HydrophobicContact CE1-CE1 4.48Å; I111-F161 HydrophobicContact CD1-CE1 4.21Å; I111-F161 HydrophobicContact CD1-CZ 4.08Å; M123-F161 HydrophobicContact CB-CD2 3.63Å; M123-F161 HydrophobicContact CB-CE2 3.42Å; M123-F161 VanDerWaalsContact CB-CE2 3.42Å; M123-F161 HydrophobicContact CB-CG 4.44Å; M123-F161 HydrophobicContact CB-CZ 4.08Å; M123-F161 HydrophobicContact CE-CB 3.66Å; M123-F161 HydrophobicContact CE-CD1 3.8Å; M123-F161 HydrophobicContact CE-CD2 4.29Å; M123-F161 HydrophobicContact CE-CG 3.65Å; M123-F161 HydrophobicContact CG-CD1 4.12Å; M123-F161 HydrophobicContact CG-CD2 3.47Å; M123-F161 VanDerWaalsContact CG-CD2 3.47Å; M123-F161 HydrophobicContact CG-CE1 4.11Å; M123-F161 HydrophobicContact CG-CE2 3.47Å; M123-F161 VanDerWaalsContact CG-CE2 3.47Å; M123-F161 HydrophobicContact CG-CG 3.79Å; M123-F161 HydrophobicContact CG-CZ 3.78Å; M123-F161 HydrophobicContact SD-CB 3.87Å; M123-F161 HydrophobicContact SD-CD1 4.37Å; M123-F161 HydrophobicContact SD-CD2 3.79Å; M123-F161 HydrophobicContact SD-CE2 4.41Å; M123-F161 HydrophobicContact SD-CG 3.74Å; L126-F161 HydrophobicContact CB-CZ 4.4Å; L126-F161 HydrophobicContact CD2-CE1 4.45Å; L126-F161 HydrophobicContact CD2-CZ 3.87Å; L126-F161 HydrophobicContact CG-CZ 4.5Å; L127-F161 HydrophobicContact CD1-CE2 4.37Å; L127-F161 HydrophobicContact CD2-CE2 4.49Å; L127-F161 HydrophobicContact CG-CE2 4.09Å; Q157-F161 PolarHBondContact O-N 2.84Å; T158-F161 PolarHBondContact O-N 3.29Å; R159-F161 VanDerWaalsContact C-N 3.32Å; R159-F161 PolarHBondContact O-N 2.94Å; F161-G163 PolarHBondContact O-N 3.14Å; F161-R164 PolarHBondContact O-N 3.33Å; F161-R164 VanDerWaalsContact O-N 3.14Å; F161-L165 HydrophobicContact CD1-CD1 4.1Å; F161-L165 HydrophobicContact CE1-CD1 3.56Å; F161-L165 HydrophobicContact CE1-CG 4.3Å; F161-L165 HydrophobicContact CE2-CD1 4.23Å; F161-L165 HydrophobicContact CE2-CD2 4.39Å; F161-L165 HydrophobicContact CE2-CG 4.07Å; F161-L165 HydrophobicContact CZ-CD1 3.66Å; F161-L165 HydrophobicContact CZ-CD2 4.23Å; F161-L165 HydrophobicContact CZ-CG 3.96Å; F161-L165 PolarHBondContact O-N 2.99Å |
| 162 | G | 74 | Confident | 70.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.5 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T158 R159 L165 L166 | T158-G162 PolarHBondContact O-N 3.17Å; R159-G162 PolarHBondContact O-N 3.13Å; G162-L165 WeakPolarHBondContact O-CB 3.5Å; G162-L165 PolarHBondContact O-N 3.35Å; G162-L166 WeakPolarHBondContact O-CG 3.17Å; G162-L166 PolarHBondContact O-N 2.74Å |
| 163 | G | 67.3 | Low | 70.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -49.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C150 R159 L160 F161 L165 L166 G167 I200 | C150-G163 PolarHBondContact SG-N 3.12Å; R159-G163 PolarHBondContact O-N 3.33Å; L160-G163 PolarHBondContact O-N 3.4Å; F161-G163 PolarHBondContact O-N 3.14Å; G163-L165 VanDerWaalsContact C-N 3.29Å; G163-L165 PolarHBondContact O-N 2.89Å; G163-L166 PolarHBondContact O-N 2.98Å; G163-L166 VanDerWaalsContact O-N 3.14Å; G163-G167 PolarHBondContact O-N 3.46Å; G163-I200 VanDerWaalsContact C-CG1 3.42Å; G163-I200 WeakPolarHBondContact O-CD1 3.48Å; G163-I200 VanDerWaalsContact O-CG1 3.26Å; G163-I200 WeakPolarHBondContact O-CG1 3.35Å |
| 164 | R | 72.7 | Confident | 70.1 | Confident | 65 Ų | 65 | 35 Ų | 35 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -39 | 177.3 | -71.1 | 177.6 | 69.4 | -168.6 | -0 | 112.3 | E124 L127 L160 F161 G167 K168 | E124-R164 IonicContact OE1-CZ 3.93Å; E124-R164 IonicContact OE1-NH1 3.61Å; E124-R164 PolarHBondContact OE1-NH1 2.88Å; E124-R164 IonicContact OE1-NH2 3.96Å; E124-R164 PolarHBondContact OE1-NH2 3.17Å; E124-R164 IonicContact OE2-CZ 3.57Å; E124-R164 IonicContact OE2-NH2 2.81Å; E124-R164 PolarHBondContact OE2-NH2 3.3Å; L127-R164 HydrophobicContact CD1-CB 4.17Å; L127-R164 VanDerWaalsContact CD1-NH2 3.26Å; L127-R164 HydrophobicContact CD2-CB 3.76Å; L160-R164 HydrophobicContact CD1-CG 4.49Å; L160-R164 WeakPolarHBondContact O-CG 3.48Å; L160-R164 PolarHBondContact O-N 2.92Å; F161-R164 PolarHBondContact O-N 3.33Å; F161-R164 VanDerWaalsContact O-N 3.14Å; R164-G167 PolarHBondContact O-N 3.08Å; R164-K168 WeakPolarHBondContact O-CG 3.35Å; R164-K168 PolarHBondContact O-N 3.44Å |
| 165 | L | 77.2 | Confident | 69.6 | Low | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 173.5 | -76.4 | 171.2 | 0 | 0 | 0 | 111.1 | F108 L126 L127 I142 A146 F161 G162 G163 G167 K168 I169 | F108-L165 HydrophobicContact CE1-CD1 4.38Å; L126-L165 HydrophobicContact CD2-CD2 4.42Å; L126-L165 HydrophobicContact CG-CD2 4.23Å; L127-L165 HydrophobicContact CD2-CD2 3.92Å; L127-L165 HydrophobicContact CD2-CG 4.16Å; I142-L165 HydrophobicContact CG2-CD1 4.45Å; I142-L165 HydrophobicContact CG2-CD2 3.95Å; A146-L165 HydrophobicContact CB-CB 3.69Å; A146-L165 HydrophobicContact CB-CD1 4.16Å; F161-L165 HydrophobicContact CD1-CD1 4.1Å; F161-L165 HydrophobicContact CE1-CD1 3.56Å; F161-L165 HydrophobicContact CE1-CG 4.3Å; F161-L165 HydrophobicContact CE2-CD1 4.23Å; F161-L165 HydrophobicContact CE2-CD2 4.39Å; F161-L165 HydrophobicContact CE2-CG 4.07Å; F161-L165 HydrophobicContact CZ-CD1 3.66Å; F161-L165 HydrophobicContact CZ-CD2 4.23Å; F161-L165 HydrophobicContact CZ-CG 3.96Å; F161-L165 PolarHBondContact O-N 2.99Å; G162-L165 WeakPolarHBondContact O-CB 3.5Å; G162-L165 PolarHBondContact O-N 3.35Å; G163-L165 VanDerWaalsContact C-N 3.29Å; G163-L165 PolarHBondContact O-N 2.89Å; L165-G167 VanDerWaalsContact C-N 3.27Å; L165-G167 PolarHBondContact O-N 3.39Å; L165-K168 WeakPolarHBondContact O-CB 3.48Å; L165-K168 PolarHBondContact O-N 2.94Å; L165-K168 VanDerWaalsContact O-N 3.08Å; L165-I169 VanDerWaalsContact O-CG1 3.27Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 3.17Å |
| 166 | L | 70.6 | Confident | 68.5 | Low | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59 | -39.4 | 177 | -67.6 | 178 | 0 | 0 | 0 | 111.9 | L143 A146 V147 G162 G163 I169 A170 L185 L189 | L143-L166 HydrophobicContact CD1-CD2 3.58Å; A146-L166 HydrophobicContact CB-CD2 3.62Å; A146-L166 HydrophobicContact CB-CG 3.84Å; V147-L166 HydrophobicContact CG2-CD2 4.32Å; G162-L166 WeakPolarHBondContact O-CG 3.17Å; G162-L166 PolarHBondContact O-N 2.74Å; G163-L166 PolarHBondContact O-N 2.98Å; G163-L166 VanDerWaalsContact O-N 3.14Å; L166-I169 PolarHBondContact O-N 3.46Å; L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 3.28Å; L166-L185 HydrophobicContact CD1-CD1 3.64Å; L166-L185 HydrophobicContact CD1-CG 4.36Å; L166-L185 HydrophobicContact CD2-CD1 3.8Å; L166-L185 HydrophobicContact CD2-CD2 4.47Å; L166-L185 HydrophobicContact CD2-CG 4.49Å; L166-L185 HydrophobicContact CG-CD1 4.38Å; L166-L189 HydrophobicContact CB-CD2 3.31Å; L166-L189 HydrophobicContact CB-CG 4.28Å; L166-L189 HydrophobicContact CD1-CD2 3.53Å; L166-L189 HydrophobicContact CD1-CG 3.95Å; L166-L189 HydrophobicContact CG-CD2 4.04Å |
| 167 | G | 63.2 | Low | 67.8 | Low | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | G163 R164 L165 A171 | G163-G167 PolarHBondContact O-N 3.46Å; R164-G167 PolarHBondContact O-N 3.08Å; L165-G167 VanDerWaalsContact C-N 3.27Å; L165-G167 PolarHBondContact O-N 3.39Å; G167-A171 WeakPolarHBondContact O-CB 3.28Å; G167-A171 PolarHBondContact O-N 2.92Å; G167-A171 VanDerWaalsContact O-N 3.1Å |
| 168 | K | 71.1 | Confident | 66.5 | Low | 41 Ų | 41 | 35.8 Ų | 35.8 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.9 | -71.3 | -67.2 | -165.9 | 177.6 | 0 | 112.3 | L127 T130 E131 R164 L165 A171 | L127-K168 HydrophobicContact CB-CG 4.48Å; L127-K168 HydrophobicContact CD2-CG 3.73Å; T130-K168 HydrophobicContact CG2-CB 4.03Å; E131-K168 HydrophobicContact CG-CD 4.1Å; E131-K168 VanDerWaalsContact OE1-CD 3.27Å; E131-K168 WeakPolarHBondContact OE1-CD 3.3Å; E131-K168 WeakPolarHBondContact OE1-CE 3.46Å; E131-K168 IonicContact OE1-NZ 3.94Å; E131-K168 PolarHBondContact OE1-NZ 3Å; R164-K168 WeakPolarHBondContact O-CG 3.35Å; R164-K168 PolarHBondContact O-N 3.44Å; L165-K168 WeakPolarHBondContact O-CB 3.48Å; L165-K168 PolarHBondContact O-N 2.94Å; L165-K168 VanDerWaalsContact O-N 3.08Å; K168-A171 PolarHBondContact O-N 3.36Å |
| 169 | I | 70.6 | Confident | 64.8 | Low | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -48.5 | 178.4 | -65.3 | 169.7 | 0 | 0 | 0 | 110.6 | T130 V138 I142 L143 A146 L165 L166 A171 R172 I174 I175 | T130-I169 HydrophobicContact CG2-CG1 3.91Å; V138-I169 HydrophobicContact CG1-CB 4.46Å; V138-I169 HydrophobicContact CG1-CD1 4.14Å; V138-I169 HydrophobicContact CG1-CG1 3.64Å; V138-I169 HydrophobicContact CG1-CG2 4.25Å; I142-I169 HydrophobicContact CG2-CD1 4.06Å; L143-I169 HydrophobicContact CB-CD1 4.06Å; L143-I169 HydrophobicContact CD1-CD1 4.13Å; A146-I169 HydrophobicContact CB-CD1 4.39Å; L165-I169 VanDerWaalsContact O-CG1 3.27Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 3.17Å; L166-I169 PolarHBondContact O-N 3.46Å; I169-A171 PolarHBondContact O-N 3.26Å; I169-R172 WeakPolarHBondContact O-CB 3.46Å; I169-R172 PolarHBondContact O-N 2.97Å; I169-I174 HydrophobicContact CG2-CD1 4.29Å; I169-I174 HydrophobicContact CG2-CG1 4.41Å; I169-I175 HydrophobicContact CG2-CD1 4.26Å; I169-I175 HydrophobicContact CG2-CG1 4.47Å |
| 170 | A | 64.3 | Low | 63.2 | Low | 32 Ų | 32 | 43.3 Ų | 43.3 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.6 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L166 R172 N173 I204 | L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 3.28Å; A170-R172 PolarHBondContact O-N 2.76Å; A170-R172 VanDerWaalsContact O-N 3.14Å; A170-N173 PolarHBondContact O-N 3.49Å; A170-I204 HydrophobicContact CB-CD1 3.58Å; A170-I204 HydrophobicContact CB-CG1 3.64Å |
| 171 | A | 62.7 | Low | 62.1 | Low | 20 Ų | 20 | 49.6 Ų | 49.6 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G167 K168 I169 R207 | G167-A171 WeakPolarHBondContact O-CB 3.28Å; G167-A171 PolarHBondContact O-N 2.92Å; G167-A171 VanDerWaalsContact O-N 3.1Å; K168-A171 PolarHBondContact O-N 3.36Å; I169-A171 PolarHBondContact O-N 3.26Å; A171-R207 PolarHBondContact O-NE 3.04Å; A171-R207 VanDerWaalsContact O-NE 3.14Å; A171-R207 PolarHBondContact O-NH2 3.49Å |
| 172 | R | 66.3 | Low | 60.5 | Low | 50 Ų | 50 | 51.3 Ų | 51.3 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -13.4 | 179.3 | -68.5 | -170.9 | 62.2 | 171.8 | -0.8 | 114.6 | T130 L133 I169 A170 I174 | T130-R172 VanDerWaalsContact O-CD 3.29Å; T130-R172 WeakPolarHBondContact O-CD 3.42Å; T130-R172 PolarHBondContact O-NH1 3.22Å; L133-R172 PolarHBondContact O-NH1 3.42Å; L133-R172 PolarHBondContact O-NH2 2.95Å; I169-R172 WeakPolarHBondContact O-CB 3.46Å; I169-R172 PolarHBondContact O-N 2.97Å; A170-R172 PolarHBondContact O-N 2.76Å; A170-R172 VanDerWaalsContact O-N 3.14Å; R172-I174 VanDerWaalsContact C-N 3.25Å; R172-I174 HydrophobicContact CB-CD1 4.27Å; R172-I174 HydrophobicContact CB-CG1 4.05Å; R172-I174 HydrophobicContact CB-CG2 3.88Å; R172-I174 PolarHBondContact O-N 3.25Å |
| 173 | N | 65.6 | Low | 59 | Low | 76 Ų | 76 | 52.9 Ų | 52.9 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 39 | -178.6 | -156.9 | 39.4 | 0 | 0 | 0 | 113.8 | A170 Y224 | A170-N173 PolarHBondContact O-N 3.49Å; N173-Y224 VanDerWaalsContact CG-CE2 3.41Å; N173-Y224 WeakPolarHBondContact ND2-CE2 3.35Å; N173-Y224 VanDerWaalsContact OD1-CD2 3.25Å; N173-Y224 WeakPolarHBondContact OD1-CD2 3.49Å; N173-Y224 WeakPolarHBondContact OD1-CE2 3.41Å |
| 174 | I | 68.4 | Low | 57.9 | Low | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | trans | -100.3 | -9.7 | -175.3 | 55.3 | 173.7 | 0 | 0 | 0 | 113.6 | P135 V138 L139 I169 R172 P176 | P135-I174 HydrophobicContact CB-CB 4.11Å; P135-I174 HydrophobicContact CB-CD1 4.47Å; P135-I174 HydrophobicContact CB-CG2 3.7Å; P135-I174 HydrophobicContact CG-CG2 3.88Å; V138-I174 HydrophobicContact CB-CD1 3.84Å; V138-I174 HydrophobicContact CG1-CD1 3.64Å; L139-I174 HydrophobicContact CD2-CD1 4.08Å; L139-I174 HydrophobicContact CD2-CG1 4.11Å; L139-I174 HydrophobicContact CG-CD1 4.1Å; L139-I174 HydrophobicContact CG-CG1 4.42Å; I169-I174 HydrophobicContact CG2-CD1 4.29Å; I169-I174 HydrophobicContact CG2-CG1 4.41Å; R172-I174 VanDerWaalsContact C-N 3.25Å; R172-I174 HydrophobicContact CB-CD1 4.27Å; R172-I174 HydrophobicContact CB-CG1 4.05Å; R172-I174 HydrophobicContact CB-CG2 3.88Å; R172-I174 PolarHBondContact O-N 3.25Å; I174-P176 WeakPolarHBondContact O-CD 3.28Å | ||
| 175 | I | 64.5 | Low | 56.6 | Low | 29 Ų | 29 | 55.1 Ų | 55.1 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | trans | -81.2 | 109.2 | 179.8 | -57.2 | 172.1 | 0 | 0 | 0 | 107.2 | L139 I169 | L139-I175 HydrophobicContact CD2-CG1 3.97Å; I169-I175 HydrophobicContact CG2-CD1 4.26Å; I169-I175 HydrophobicContact CG2-CG1 4.47Å | ||
| 176 | P | 52.2 | Low | 55.1 | Low | 94 Ų | 94 | 56.7 Ų | 56.7 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | trans | -80 | 120.6 | 172.5 | 6.7 | 13.4 | 0 | 0 | 0 | 107 | I174 | I174-P176 WeakPolarHBondContact O-CD 3.28Š| ||
| 177 | D | 51.2 | Low | 53.7 | Low | 130 Ų | 130 | 63.7 Ų | 63.7 | 70% | 0.695 | 34% | 0.337 | S | S | * | . | trans | 66.5 | 108.6 | 175 | -56.2 | -31.3 | 0 | 0 | 0 | 116.8 | T179 | D177-T179 PolarHBondContact O-N 3.09Š| ||
| 178 | I | 44.3 | Very low | 52.7 | Low | 69 Ų | 69 | 65 Ų | 65 | 35% | 0.354 | 35% | 0.346 | S | S | . | . | trans | -71.2 | 83.4 | 166.9 | -60.3 | 165.3 | 0 | 0 | 0 | 107.3 | N182 Y186 L226 | I178-N182 HydrophobicContact CG2-CB 4.27Å; I178-Y186 HydrophobicContact CD1-CE2 4.15Å; I178-Y186 WeakPolarHBondContact CD1-OH 3.49Å; I178-Y186 HydrophobicContact CG1-CE2 4.33Å; I178-Y186 HydrophobicContact CG2-CE2 3.9Å; I178-L226 HydrophobicContact CD1-CD1 4.01Å; I178-L226 HydrophobicContact CD1-CG 4.05Å | ||
| 179 | T | 39.3 | Very low | 51.5 | Low | 83 Ų | 83 | 63.5 Ų | 63.5 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | trans | -67.4 | 145 | 161.8 | 49.6 | 0 | 0 | 0 | 0 | 108.7 | D177 E181 N182 | D177-T179 PolarHBondContact O-N 3.09Å; T179-E181 PolarHBondContact O-N 2.76Å; T179-N182 WeakPolarHBondContact O-CB 3.49Å; T179-N182 PolarHBondContact O-N 3.3Å | ||
| 180 | I | 38.4 | Very low | 50.1 | Low | 153 Ų | 153 | 64.8 Ų | 64.8 | 79% | 0.785 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -21.5 | -172.5 | -67.1 | 162.6 | 0 | 0 | 0 | 113.7 | N182 A183 | I180-N182 PolarHBondContact O-N 3.18Å; I180-A183 WeakPolarHBondContact O-CB 3.17Å; I180-A183 PolarHBondContact O-N 2.91Å |
| 181 | E | 42.4 | Very low | 48.6 | Very low | 166 Ų | 166 | 66.1 Ų | 66.1 | 78% | 0.776 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.1 | -31.8 | 171.8 | -73.9 | -176.7 | 149.2 | 0 | 0 | 113.2 | T179 A183 T184 | T179-E181 PolarHBondContact O-N 2.76Å; E181-A183 VanDerWaalsContact C-N 3.28Å; E181-A183 PolarHBondContact O-N 3.04Å; E181-T184 WeakPolarHBondContact O-CB 3.43Å; E181-T184 PolarHBondContact O-N 2.92Å; E181-T184 PolarHBondContact O-OG1 3.39Å |
| 182 | N | 43.4 | Very low | 47.4 | Very low | 39 Ų | 39 | 65.9 Ų | 65.9 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.3 | -10.2 | 173.3 | -75.1 | -29.8 | 0 | 0 | 0 | 113.3 | I178 T179 I180 T184 L185 Y186 | I178-N182 HydrophobicContact CG2-CB 4.27Å; T179-N182 WeakPolarHBondContact O-CB 3.49Å; T179-N182 PolarHBondContact O-N 3.3Å; I180-N182 PolarHBondContact O-N 3.18Å; N182-T184 PolarHBondContact O-N 2.98Å; N182-L185 HydrophobicContact CB-CB 4.23Å; N182-L185 CarbonylContact O-C 3.58Å; N182-L185 WeakPolarHBondContact O-CA 3.07Å; N182-L185 WeakPolarHBondContact O-CB 3.36Å; N182-L185 PolarHBondContact O-N 2.79Å; N182-Y186 WeakPolarHBondContact O-CD2 3.45Å; N182-Y186 PolarHBondContact O-N 3.2Å |
| 183 | A | 43.8 | Very low | 45.8 | Very low | 34 Ų | 34 | 72.2 Ų | 72.2 | 28% | 0.281 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -32.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | I180 E181 L185 Y186 R187 | I180-A183 WeakPolarHBondContact O-CB 3.17Å; I180-A183 PolarHBondContact O-N 2.91Å; E181-A183 VanDerWaalsContact C-N 3.28Å; E181-A183 PolarHBondContact O-N 3.04Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-Y186 PolarHBondContact O-N 3.26Å; A183-R187 WeakPolarHBondContact O-CB 3.38Å; A183-R187 PolarHBondContact O-N 2.73Å |
| 184 | T | 43.1 | Very low | 44.2 | Very low | 97 Ų | 97 | 73.2 Ų | 73.2 | 60% | 0.595 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.1 | -35.2 | 170.6 | -36 | 0 | 0 | 0 | 0 | 111.6 | E181 N182 R187 S188 | E181-T184 WeakPolarHBondContact O-CB 3.43Å; E181-T184 PolarHBondContact O-N 2.92Å; E181-T184 PolarHBondContact O-OG1 3.39Å; N182-T184 PolarHBondContact O-N 2.98Å; T184-R187 PolarHBondContact O-N 3.46Å; T184-S188 WeakPolarHBondContact O-CB 3.35Å; T184-S188 PolarHBondContact O-N 3.42Å; T184-S188 PolarHBondContact O-OG 3Å |
| 185 | L | 45.9 | Very low | 42.5 | Very low | 15 Ų | 15 | 77.9 Ų | 77.9 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.4 | -49.6 | 171.2 | -171.6 | 71.7 | 0 | 0 | 0 | 110.1 | L143 V147 L166 N182 A183 R187 S188 L189 | L143-L185 HydrophobicContact CD1-CD2 4.43Å; V147-L185 HydrophobicContact CB-CD1 4.32Å; V147-L185 HydrophobicContact CG1-CD1 4.29Å; V147-L185 HydrophobicContact CG2-CD1 3.37Å; L166-L185 HydrophobicContact CD1-CD1 3.64Å; L166-L185 HydrophobicContact CD1-CG 4.36Å; L166-L185 HydrophobicContact CD2-CD1 3.8Å; L166-L185 HydrophobicContact CD2-CD2 4.47Å; L166-L185 HydrophobicContact CD2-CG 4.49Å; L166-L185 HydrophobicContact CG-CD1 4.38Å; N182-L185 HydrophobicContact CB-CB 4.23Å; N182-L185 CarbonylContact O-C 3.58Å; N182-L185 WeakPolarHBondContact O-CA 3.07Å; N182-L185 WeakPolarHBondContact O-CB 3.36Å; N182-L185 PolarHBondContact O-N 2.79Å; A183-L185 VanDerWaalsContact C-N 3.34Å; L185-R187 PolarHBondContact O-N 2.87Å; L185-S188 WeakPolarHBondContact CA-OG 3.4Å; L185-S188 CarbonylContact O-C 3.59Å; L185-S188 PolarHBondContact O-N 2.93Å; L185-S188 VanDerWaalsContact O-N 3.14Å; L185-S188 PolarHBondContact O-OG 3.38Å; L185-L189 HydrophobicContact CG-CD1 4.36Å; L185-L189 WeakPolarHBondContact O-CB 3.49Å; L185-L189 VanDerWaalsContact O-CG 3.22Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 3.42Å |
| 186 | Y | 46.1 | Very low | 40.9 | Very low | 33 Ų | 33 | 82 Ų | 82 | 13% | 0.129 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 173.3 | -70.2 | -71.4 | 0 | 0 | 0 | 112 | I178 N182 A183 S188 L189 F190 L226 | I178-Y186 HydrophobicContact CD1-CE2 4.15Å; I178-Y186 WeakPolarHBondContact CD1-OH 3.49Å; I178-Y186 HydrophobicContact CG1-CE2 4.33Å; I178-Y186 HydrophobicContact CG2-CE2 3.9Å; N182-Y186 WeakPolarHBondContact O-CD2 3.45Å; N182-Y186 PolarHBondContact O-N 3.2Å; A183-Y186 PolarHBondContact O-N 3.26Å; Y186-S188 VanDerWaalsContact C-N 3.28Å; Y186-S188 PolarHBondContact O-N 3.45Å; Y186-L189 HydrophobicContact CD1-CD1 3.95Å; Y186-L189 HydrophobicContact CE1-CD1 4.34Å; Y186-L189 CarbonylContact O-C 3.54Å; Y186-L189 WeakPolarHBondContact O-CA 3.31Å; Y186-L189 VanDerWaalsContact O-CB 3.28Å; Y186-L189 WeakPolarHBondContact O-CB 3.42Å; Y186-L189 PolarHBondContact O-N 3.46Å; Y186-F190 HydrophobicContact CD1-CE2 4.24Å; Y186-F190 WeakPolarHBondContact O-CB 3.38Å; Y186-F190 WeakPolarHBondContact O-CD2 3.18Å; Y186-F190 PolarHBondContact O-N 2.86Å; Y186-L226 HydrophobicContact CD1-CD2 4.4Å; Y186-L226 HydrophobicContact CE1-CD2 3.91Å; Y186-L226 HydrophobicContact CE2-CD2 4.4Å |
| 187 | R | 41.4 | Very low | 40.1 | Very low | 149 Ų | 149 | 77.6 Ų | 77.6 | 56% | 0.562 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.2 | -40.3 | 174.2 | -138 | 172.3 | -160.4 | 160.6 | 4.5 | 111.5 | A183 T184 L185 L189 F190 A191 L234 | A183-R187 WeakPolarHBondContact O-CB 3.38Å; A183-R187 PolarHBondContact O-N 2.73Å; T184-R187 PolarHBondContact O-N 3.46Å; L185-R187 PolarHBondContact O-N 2.87Å; R187-L189 VanDerWaalsContact C-N 3.35Å; R187-F190 PolarHBondContact O-N 3.01Å; R187-A191 WeakPolarHBondContact O-CB 3.46Å; R187-A191 PolarHBondContact O-N 3.26Å; R187-L234 HydrophobicContact CG-CD2 3.86Å |
| 188 | S | 42.3 | Very low | 39.5 | Very low | 27 Ų | 27 | 71.8 Ų | 71.8 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.6 | -24.6 | 176 | 76.2 | 0 | 0 | 0 | 0 | 113.9 | T184 L185 Y186 Q192 | T184-S188 WeakPolarHBondContact O-CB 3.35Å; T184-S188 PolarHBondContact O-N 3.42Å; T184-S188 PolarHBondContact O-OG 3Å; L185-S188 WeakPolarHBondContact CA-OG 3.4Å; L185-S188 CarbonylContact O-C 3.59Å; L185-S188 PolarHBondContact O-N 2.93Å; L185-S188 VanDerWaalsContact O-N 3.14Å; L185-S188 PolarHBondContact O-OG 3.38Å; Y186-S188 VanDerWaalsContact C-N 3.28Å; Y186-S188 PolarHBondContact O-N 3.45Å; S188-Q192 VanDerWaalsContact O-CG 3.27Å; S188-Q192 WeakPolarHBondContact O-CG 3.4Å; S188-Q192 PolarHBondContact O-NE2 3.43Å |
| 189 | L | 44.5 | Very low | 39.1 | Very low | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73 | -41.7 | 172.2 | -77.9 | 171.9 | 0 | 0 | 0 | 111.3 | L166 L185 Y186 R187 I200 | L166-L189 HydrophobicContact CB-CD2 3.31Å; L166-L189 HydrophobicContact CB-CG 4.28Å; L166-L189 HydrophobicContact CD1-CD2 3.53Å; L166-L189 HydrophobicContact CD1-CG 3.95Å; L166-L189 HydrophobicContact CG-CD2 4.04Å; L185-L189 HydrophobicContact CG-CD1 4.36Å; L185-L189 WeakPolarHBondContact O-CB 3.49Å; L185-L189 VanDerWaalsContact O-CG 3.22Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 3.42Å; Y186-L189 HydrophobicContact CD1-CD1 3.95Å; Y186-L189 HydrophobicContact CE1-CD1 4.34Å; Y186-L189 CarbonylContact O-C 3.54Å; Y186-L189 WeakPolarHBondContact O-CA 3.31Å; Y186-L189 VanDerWaalsContact O-CB 3.28Å; Y186-L189 WeakPolarHBondContact O-CB 3.42Å; Y186-L189 PolarHBondContact O-N 3.46Å; R187-L189 VanDerWaalsContact C-N 3.35Å; L189-I200 HydrophobicContact CD2-CB 4.28Å; L189-I200 HydrophobicContact CD2-CD1 3.78Å; L189-I200 HydrophobicContact CD2-CG1 4.48Å; L189-I200 HydrophobicContact CD2-CG2 3.31Å; L189-I200 HydrophobicContact CG-CG2 4.4Å |
| 190 | F | 41.6 | Very low | 39 | Very low | 29 Ų | 29 | 66.8 Ų | 66.8 | 13% | 0.127 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -84.8 | -37.8 | -177.7 | -74.9 | -64.6 | 0 | 0 | 0 | 112.8 | Y186 R187 Q192 L234 L235 L238 | Y186-F190 HydrophobicContact CD1-CE2 4.24Å; Y186-F190 WeakPolarHBondContact O-CB 3.38Å; Y186-F190 WeakPolarHBondContact O-CD2 3.18Å; Y186-F190 PolarHBondContact O-N 2.86Å; R187-F190 PolarHBondContact O-N 3.01Å; F190-Q192 PolarHBondContact O-N 3.37Å; F190-L234 HydrophobicContact CD2-CB 4.28Å; F190-L234 HydrophobicContact CD2-CD1 3.86Å; F190-L234 HydrophobicContact CE2-CD1 4.23Å; F190-L235 HydrophobicContact CD1-CD2 4.36Å; F190-L235 HydrophobicContact CE1-CD2 3.89Å; F190-L238 HydrophobicContact CB-CD1 3.81Å; F190-L238 HydrophobicContact CB-CG 4.48Å; F190-L238 HydrophobicContact CD1-CD1 3.68Å; F190-L238 HydrophobicContact CG-CD1 4.14Å; F190-L238 VanDerWaalsContact O-CD2 3.29Å; F190-L238 WeakPolarHBondContact O-CD2 3.29Å |
| 191 | A | 34.1 | Very low | 39.1 | Very low | 60 Ų | 60 | 60 Ų | 60 | 50% | 0.496 | 30% | 0.297 | S | S | . | . | trans | -72.7 | 14.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R187 R193 | R187-A191 WeakPolarHBondContact O-CB 3.46Å; R187-A191 PolarHBondContact O-N 3.26Å; A191-R193 PolarHBondContact O-N 3.42Å | ||
| 192 | Q | 37 | Very low | 38.9 | Very low | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | trans | -90 | 106.6 | -177.8 | -60.6 | -69.3 | -20.6 | 0 | 0 | 111.1 | C150 R159 S188 F190 E194 S197 | C150-Q192 PolarHBondContact O-NE2 3.36Å; C150-Q192 VanDerWaalsContact O-NE2 3.15Å; R159-Q192 VanDerWaalsContact CB-OE1 3.31Å; S188-Q192 VanDerWaalsContact O-CG 3.27Å; S188-Q192 WeakPolarHBondContact O-CG 3.4Å; S188-Q192 PolarHBondContact O-NE2 3.43Å; F190-Q192 PolarHBondContact O-N 3.37Å; Q192-E194 VanDerWaalsContact C-N 3.25Å; Q192-E194 PolarHBondContact O-N 3.06Å; Q192-S197 WeakPolarHBondContact CB-OG 3.26Å; Q192-S197 WeakPolarHBondContact CG-OG 3.38Å | ||
| 193 | R | 33.2 | Very low | 38.4 | Very low | 183 Ų | 183 | 53.8 Ų | 53.8 | 69% | 0.691 | 27% | 0.27 | S | S | * | . | trans | -75.1 | 19.8 | -170.8 | -64.5 | -178.3 | 175.8 | 171.3 | -0.6 | 116.9 | A191 | A191-R193 PolarHBondContact O-N 3.42Š| ||
| 194 | E | 31.6 | Very low | 38.2 | Very low | 96 Ų | 96 | 54.6 Ų | 54.6 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -128.2 | 142.4 | -179.1 | -82 | -179.4 | -170 | 0 | 0 | 112.4 | P156 Q192 H196 S197 | P156-E194 WeakPolarHBondContact CB-OE1 3.48Å; P156-E194 WeakPolarHBondContact CB-OE2 3.49Å; Q192-E194 VanDerWaalsContact C-N 3.25Å; Q192-E194 PolarHBondContact O-N 3.06Å; E194-H196 PolarHBondContact O-N 3.27Å; E194-S197 WeakPolarHBondContact O-CB 3.4Å; E194-S197 PolarHBondContact O-N 3.01Å |
| 195 | K | 32.4 | Very low | 38 | Very low | 123 Ų | 123 | 50.4 Ų | 50.4 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -41.1 | -18.7 | -175.4 | -169.1 | 173 | -177.2 | 173.3 | 0 | 118.2 | F245 | K195-F245 HydrophobicContact CB-CB 4.06Å; K195-F245 HydrophobicContact CB-CD2 4.46Å; K195-F245 HydrophobicContact CB-CG 4.22Å; K195-F245 HydrophobicContact CD-CB 4.46Å; K195-F245 HydrophobicContact CD-CD1 3.74Å; K195-F245 HydrophobicContact CD-CD2 3.99Å; K195-F245 HydrophobicContact CD-CE1 3.89Å; K195-F245 HydrophobicContact CD-CE2 4.11Å; K195-F245 HydrophobicContact CD-CG 3.8Å; K195-F245 HydrophobicContact CD-CZ 4.06Å; K195-F245 VanDerWaalsContact CE-CE1 3.45Å; K195-F245 HydrophobicContact CG-CB 4Å; K195-F245 HydrophobicContact CG-CD1 4.02Å; K195-F245 HydrophobicContact CG-CD2 4.4Å; K195-F245 HydrophobicContact CG-CG 3.88Å; K195-F245 VanDerWaalsContact NZ-CE1 3.25Å |
| 196 | H | 30.2 | Very low | 37.4 | Very low | 115 Ų | 115 | 52.3 Ų | 52.3 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -8.4 | 177.4 | -69 | -8.4 | 0 | 0 | 0 | 113.5 | L160 E194 T199 | L160-H196 HydrophobicContact CD1-CB 3.33Å; L160-H196 WeakPolarHBondContact CD1-O 3.26Å; L160-H196 HydrophobicContact CD2-CB 3.65Å; L160-H196 HydrophobicContact CG-CB 4.13Å; E194-H196 PolarHBondContact O-N 3.27Å; H196-T199 WeakPolarHBondContact O-CB 3.43Å; H196-T199 PolarHBondContact O-N 2.88Å; H196-T199 PolarHBondContact O-OG1 3.25Å |
| 197 | S | 36 | Very low | 36.9 | Very low | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -12.5 | -175.6 | -156.1 | 0 | 0 | 0 | 0 | 113.6 | Q192 E194 I200 | Q192-S197 WeakPolarHBondContact CB-OG 3.26Å; Q192-S197 WeakPolarHBondContact CG-OG 3.38Å; E194-S197 WeakPolarHBondContact O-CB 3.4Å; E194-S197 PolarHBondContact O-N 3.01Å; S197-I200 WeakPolarHBondContact O-CD1 3.37Å; S197-I200 WeakPolarHBondContact O-CG1 3.42Å; S197-I200 PolarHBondContact O-N 2.91Å |
| 198 | I | 38.7 | Very low | 36.5 | Very low | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.5 | 166.6 | -54.7 | 156.6 | 0 | 0 | 0 | 110.6 | I200 G201 T202 V246 A249 | I198-I200 PolarHBondContact O-N 3.4Å; I198-G201 PolarHBondContact O-N 2.81Å; I198-G201 VanDerWaalsContact O-N 3.07Å; I198-T202 PolarHBondContact O-N 2.93Å; I198-V246 HydrophobicContact CD1-CB 3.86Å; I198-V246 HydrophobicContact CD1-CG1 3.77Å; I198-V246 HydrophobicContact CD1-CG2 3.94Å; I198-V246 WeakPolarHBondContact CD1-O 3.41Å; I198-A249 HydrophobicContact CB-CB 3.43Å; I198-A249 VanDerWaalsContact CB-CB 3.43Å; I198-A249 HydrophobicContact CD1-CB 3.76Å; I198-A249 HydrophobicContact CG1-CB 4.22Å; I198-A249 HydrophobicContact CG2-CB 3.21Å |
| 199 | T | 35.5 | Very low | 35.8 | Very low | 45 Ų | 45 | 59.1 Ų | 59.1 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.8 | -9.3 | 160.1 | -44.6 | 0 | 0 | 0 | 0 | 112.2 | H196 T202 N203 | H196-T199 WeakPolarHBondContact O-CB 3.43Å; H196-T199 PolarHBondContact O-N 2.88Å; H196-T199 PolarHBondContact O-OG1 3.25Å; T199-T202 WeakPolarHBondContact CA-OG1 3.47Å; T199-T202 WeakPolarHBondContact CG2-OG1 3.47Å; T199-T202 CarbonylContact O-C 3.59Å; T199-T202 PolarHBondContact O-OG1 3.12Å; T199-N203 WeakPolarHBondContact O-CA 3.38Å; T199-N203 WeakPolarHBondContact O-CB 3.4Å; T199-N203 PolarHBondContact O-N 3.48Å; T199-N203 PolarHBondContact O-ND2 3.18Å |
| 200 | I | 37.8 | Very low | 35 | Very low | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -80.6 | -43.6 | 173.5 | -48.4 | 164.2 | 0 | 0 | 0 | 111.5 | G163 L189 S197 I198 T202 N203 I204 | G163-I200 VanDerWaalsContact C-CG1 3.42Å; G163-I200 WeakPolarHBondContact O-CD1 3.48Å; G163-I200 VanDerWaalsContact O-CG1 3.26Å; G163-I200 WeakPolarHBondContact O-CG1 3.35Å; L189-I200 HydrophobicContact CD2-CB 4.28Å; L189-I200 HydrophobicContact CD2-CD1 3.78Å; L189-I200 HydrophobicContact CD2-CG1 4.48Å; L189-I200 HydrophobicContact CD2-CG2 3.31Å; L189-I200 HydrophobicContact CG-CG2 4.4Å; S197-I200 WeakPolarHBondContact O-CD1 3.37Å; S197-I200 WeakPolarHBondContact O-CG1 3.42Å; S197-I200 PolarHBondContact O-N 2.91Å; I198-I200 PolarHBondContact O-N 3.4Å; I200-T202 VanDerWaalsContact C-N 3.29Å; I200-N203 PolarHBondContact O-N 3.34Å; I200-I204 HydrophobicContact CG2-CD1 4.36Å; I200-I204 WeakPolarHBondContact O-CG1 3.42Å; I200-I204 PolarHBondContact O-N 3.32Å |
| 201 | G | 40.4 | Very low | 34.3 | Very low | 10 Ų | 10 | 67.2 Ų | 67.2 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -51.1 | -57.2 | 162 | 0 | 0 | 0 | 0 | 0 | 107.7 | I198 N203 I204 V205 | I198-G201 PolarHBondContact O-N 2.81Å; I198-G201 VanDerWaalsContact O-N 3.07Å; G201-N203 VanDerWaalsContact C-N 3.32Å; G201-N203 PolarHBondContact O-N 2.8Å; G201-I204 PolarHBondContact O-N 2.81Å; G201-V205 WeakPolarHBondContact O-CB 3.4Å; G201-V205 WeakPolarHBondContact O-CG2 3.26Å; G201-V205 PolarHBondContact O-N 3.33Å |
| 202 | T | 37.2 | Very low | 34.1 | Very low | 37 Ų | 37 | 72.5 Ų | 72.5 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -19 | -178.3 | 78.2 | 0 | 0 | 0 | 0 | 116 | I198 T199 I200 V205 S206 | I198-T202 PolarHBondContact O-N 2.93Å; T199-T202 WeakPolarHBondContact CA-OG1 3.47Å; T199-T202 WeakPolarHBondContact CG2-OG1 3.47Å; T199-T202 CarbonylContact O-C 3.59Å; T199-T202 PolarHBondContact O-OG1 3.12Å; I200-T202 VanDerWaalsContact C-N 3.29Å; T202-V205 CarbonylContact O-C 3.54Å; T202-S206 WeakPolarHBondContact O-CA 3.46Å; T202-S206 WeakPolarHBondContact O-CB 3.31Å; T202-S206 PolarHBondContact O-N 3.13Å; T202-S206 PolarHBondContact O-OG 3.36Å |
| 203 | N | 34.8 | Very low | 33.7 | Very low | 37 Ų | 37 | 81.3 Ų | 81.3 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -88.8 | -34.9 | 176.9 | -84.9 | -36.2 | 0 | 0 | 0 | 113.4 | T199 I200 G201 S206 | T199-N203 WeakPolarHBondContact O-CA 3.38Å; T199-N203 WeakPolarHBondContact O-CB 3.4Å; T199-N203 PolarHBondContact O-N 3.48Å; T199-N203 PolarHBondContact O-ND2 3.18Å; I200-N203 PolarHBondContact O-N 3.34Å; G201-N203 VanDerWaalsContact C-N 3.32Å; G201-N203 PolarHBondContact O-N 2.8Å; N203-S206 WeakPolarHBondContact CA-OG 3.45Å; N203-S206 PolarHBondContact O-OG 3.08Å |
| 204 | I | 38 | Very low | 33.4 | Very low | 52 Ų | 52 | 75.7 Ų | 75.7 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 164.4 | -64.7 | 171.4 | 0 | 0 | 0 | 108.6 | A170 I200 G201 | A170-I204 HydrophobicContact CB-CD1 3.58Å; A170-I204 HydrophobicContact CB-CG1 3.64Å; I200-I204 HydrophobicContact CG2-CD1 4.36Å; I200-I204 WeakPolarHBondContact O-CG1 3.42Å; I200-I204 PolarHBondContact O-N 3.32Å; G201-I204 PolarHBondContact O-N 2.81Å |
| 205 | V | 40.2 | Very low | 33.2 | Very low | 9 Ų | 9 | 74.3 Ų | 74.3 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -73 | -38.7 | 179.4 | 157.8 | 0 | 0 | 0 | 0 | 114 | G201 T202 R207 Q208 R209 F256 | G201-V205 WeakPolarHBondContact O-CB 3.4Å; G201-V205 WeakPolarHBondContact O-CG2 3.26Å; G201-V205 PolarHBondContact O-N 3.33Å; T202-V205 CarbonylContact O-C 3.54Å; V205-R207 PolarHBondContact O-N 2.93Å; V205-Q208 PolarHBondContact O-N 2.94Å; V205-R209 PolarHBondContact O-N 2.92Å; V205-F256 VanDerWaalsContact CA-CZ 3.44Å; V205-F256 HydrophobicContact CB-CD1 4.26Å; V205-F256 HydrophobicContact CB-CD2 4.22Å; V205-F256 HydrophobicContact CB-CE1 4.12Å; V205-F256 HydrophobicContact CB-CE2 4.06Å; V205-F256 HydrophobicContact CB-CG 4.22Å; V205-F256 HydrophobicContact CB-CZ 3.93Å; V205-F256 HydrophobicContact CG1-CB 4.15Å; V205-F256 HydrophobicContact CG1-CD1 4.29Å; V205-F256 HydrophobicContact CG1-CD2 3.55Å; V205-F256 HydrophobicContact CG1-CE1 4.46Å; V205-F256 HydrophobicContact CG1-CE2 3.74Å; V205-F256 HydrophobicContact CG1-CG 3.75Å; V205-F256 HydrophobicContact CG1-CZ 4.13Å; V205-F256 HydrophobicContact CG2-CB 4.37Å; V205-F256 HydrophobicContact CG2-CD1 3.55Å; V205-F256 HydrophobicContact CG2-CD2 4.34Å; V205-F256 HydrophobicContact CG2-CE1 3.62Å; V205-F256 HydrophobicContact CG2-CE2 4.38Å; V205-F256 HydrophobicContact CG2-CG 3.85Å; V205-F256 HydrophobicContact CG2-CZ 3.97Å; V205-F256 WeakPolarHBondContact O-CE2 3.27Å |
| 206 | S | 32.5 | Very low | 32.8 | Very low | 55 Ų | 55 | 78.7 Ų | 78.7 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -24 | -178.1 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | T202 N203 F210 | T202-S206 WeakPolarHBondContact O-CA 3.46Å; T202-S206 WeakPolarHBondContact O-CB 3.31Å; T202-S206 PolarHBondContact O-N 3.13Å; T202-S206 PolarHBondContact O-OG 3.36Å; N203-S206 WeakPolarHBondContact CA-OG 3.45Å; N203-S206 PolarHBondContact O-OG 3.08Å; S206-F210 PolarHBondContact O-N 3.36Å |
| 207 | R | 36.2 | Very low | 32.5 | Very low | 120 Ų | 120 | 79.2 Ų | 79.2 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -89.4 | -24.6 | 175.7 | -132.1 | 172.1 | 88.1 | 138.4 | 1.7 | 115.9 | A171 V205 R209 F210 C211 | A171-R207 PolarHBondContact O-NE 3.04Å; A171-R207 VanDerWaalsContact O-NE 3.14Å; A171-R207 PolarHBondContact O-NH2 3.49Å; V205-R207 PolarHBondContact O-N 2.93Å; R207-R209 PolarHBondContact O-N 3.3Å; R207-F210 HydrophobicContact CG-CB 4.18Å; R207-F210 PolarHBondContact O-N 3.31Å; R207-C211 VanDerWaalsContact O-CB 3.26Å; R207-C211 WeakPolarHBondContact O-CB 3.39Å; R207-C211 PolarHBondContact O-N 3.07Å; R207-C211 PolarHBondContact O-SG 2.97Å; R207-C211 VanDerWaalsContact O-SG 3.37Å |
| 208 | Q | 31.8 | Very low | 32 | Very low | 66 Ų | 66 | 87 Ų | 87 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.9 | -32 | 163.7 | -53.8 | -176.6 | -21.5 | 0 | 0 | 110.3 | V205 H212 F256 | V205-Q208 PolarHBondContact O-N 2.94Å; Q208-H212 WeakPolarHBondContact O-CB 3.44Å; Q208-H212 PolarHBondContact O-N 3.4Å; Q208-H212 VanDerWaalsContact O-N 3.12Å; Q208-F256 HydrophobicContact CB-CE2 3.76Å; Q208-F256 HydrophobicContact CB-CZ 3.41Å; Q208-F256 VanDerWaalsContact CB-CZ 3.41Å; Q208-F256 VanDerWaalsContact CD-CZ 3.43Å; Q208-F256 HydrophobicContact CG-CE1 4.33Å; Q208-F256 HydrophobicContact CG-CE2 4.43Å; Q208-F256 HydrophobicContact CG-CZ 3.58Å |
| 209 | R | 28.4 | Very low | 31.4 | Very low | 166 Ų | 166 | 90.1 Ų | 90.1 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 168.1 | -77.6 | -174.6 | -178.6 | 163.5 | 1.9 | 112.7 | V205 R207 F256 | V205-R209 PolarHBondContact O-N 2.92Å; R207-R209 PolarHBondContact O-N 3.3Å; R209-F256 HydrophobicContact CG-CE2 4.48Å |
| 210 | F | 27.7 | Very low | 31 | Very low | 154 Ų | 154 | 89.5 Ų | 89.5 | 68% | 0.675 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -74.5 | -38.6 | -179.2 | -147.6 | -90.9 | 0 | 0 | 0 | 113.3 | S206 R207 H212 K213 S214 | S206-F210 PolarHBondContact O-N 3.36Å; R207-F210 HydrophobicContact CG-CB 4.18Å; R207-F210 PolarHBondContact O-N 3.31Å; F210-H212 VanDerWaalsContact C-N 3.3Å; F210-H212 PolarHBondContact O-N 2.96Å; F210-K213 PolarHBondContact O-N 3.48Å; F210-S214 PolarHBondContact O-N 3.28Å |
| 211 | C | 26.2 | Very low | 30.7 | Very low | 56 Ų | 56 | 92.6 Ų | 92.6 | 38% | 0.378 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -24.3 | 175.6 | -72.5 | 0 | 0 | 0 | 0 | 112.8 | R207 | R207-C211 VanDerWaalsContact O-CB 3.26Å; R207-C211 WeakPolarHBondContact O-CB 3.39Å; R207-C211 PolarHBondContact O-N 3.07Å; R207-C211 PolarHBondContact O-SG 2.97Å; R207-C211 VanDerWaalsContact O-SG 3.37Å |
| 212 | H | 29.7 | Very low | 30.1 | Very low | 171 Ų | 171 | 98.2 Ų | 98.2 | 79% | 0.792 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.5 | -29.5 | 173.1 | -135.3 | 78.3 | 0 | 0 | 0 | 112.9 | Q208 F210 | Q208-H212 WeakPolarHBondContact O-CB 3.44Å; Q208-H212 PolarHBondContact O-N 3.4Å; Q208-H212 VanDerWaalsContact O-N 3.12Å; F210-H212 VanDerWaalsContact C-N 3.3Å; F210-H212 PolarHBondContact O-N 2.96Å |
| 213 | K | 28.8 | Very low | 29.8 | Very low | 199 Ų | 199 | 103.8 Ų | 103.8 | 87% | 0.865 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -88.4 | -28 | -177.1 | -130.8 | 175.4 | -171.6 | 174 | 0 | 113.4 | F210 | F210-K213 PolarHBondContact O-N 3.48Å |
| 214 | S | 27.9 | Very low | 30 | Very low | 66 Ų | 66 | 106.6 Ų | 106.6 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -90.8 | 102.4 | 168.5 | -163.6 | 0 | 0 | 0 | 0 | 107.9 | F210 R216 | F210-S214 PolarHBondContact O-N 3.28Å; S214-R216 PolarHBondContact O-N 2.92Å |
| 215 | G | 26.3 | Very low | 30.1 | Very low | 67 Ų | 67 | 112.6 Ų | 112.6 | 69% | 0.691 | 57% | 0.568 | S | S | * | * | trans | -61.3 | 21.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 216 | R | 24.6 | Very low | 30.6 | Very low | 214 Ų | 214 | 115 Ų | 115 | 81% | 0.808 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -102.5 | 116.8 | 168.2 | -66 | -176 | -178.6 | -178.3 | 0.2 | 107.5 | S214 | S214-R216 PolarHBondContact O-N 2.92Š|
| 217 | M | 24.4 | Very low | 31.7 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | trans | 98.1 | 59.6 | 175.1 | -52.5 | 168.4 | 67.8 | 0 | 0 | 115.9 | A219 A220 | M217-A219 PolarHBondContact O-N 3.46Å; M217-A220 HydrophobicContact CB-CB 4.2Å; M217-A220 HydrophobicContact CE-CB 3.2Å | ||
| 218 | H | 25.6 | Very low | 32.9 | Very low | 167 Ų | 167 | 112.8 Ų | 112.8 | 77% | 0.773 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -17.7 | 148.2 | -77.4 | 75.1 | 0 | 0 | 0 | 112.1 | ||
| 219 | A | 25.2 | Very low | 34.4 | Very low | 73 Ų | 73 | 114.1 Ų | 114.1 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -23 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | M217 H223 | M217-A219 PolarHBondContact O-N 3.46Å; A219-H223 PolarHBondContact O-CD2 3.01Å |
| 220 | A | 26.8 | Very low | 36 | Very low | 32 Ų | 32 | 109 Ų | 109 | 26% | 0.264 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.4 | -19.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | M217 N222 | M217-A220 HydrophobicContact CB-CB 4.2Å; M217-A220 HydrophobicContact CE-CB 3.2Å; A220-N222 PolarHBondContact O-N 3.27Å |
| 221 | A | 31.6 | Very low | 38 | Very low | 68 Ų | 68 | 102.3 Ų | 102.3 | 56% | 0.562 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -70.1 | -23.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 222 | N | 28.7 | Very low | 40.2 | Very low | 128 Ų | 128 | 101 Ų | 101 | 68% | 0.684 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -81.8 | -8.7 | -178.8 | -78.1 | 4.6 | 0 | 0 | 0 | 114.8 | A220 | A220-N222 PolarHBondContact O-N 3.27Š|
| 223 | H | 30.6 | Very low | 42.3 | Very low | 153 Ų | 153 | 96.3 Ų | 96.3 | 71% | 0.708 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -100.5 | 1.4 | -171.5 | -79.8 | -47.8 | 0 | 0 | 0 | 115.9 | A219 | A219-H223 PolarHBondContact O-CD2 3.01Š|
| 224 | Y | 38.5 | Very low | 44.4 | Very low | 96 Ų | 96 | 87.7 Ų | 87.7 | 38% | 0.376 | 49% | 0.487 | S | S | . | . | trans | -131 | 72.5 | 175 | -74.2 | -97 | 0 | 0 | 0 | 110 | N173 L226 | N173-Y224 VanDerWaalsContact CG-CE2 3.41Å; N173-Y224 WeakPolarHBondContact ND2-CE2 3.35Å; N173-Y224 VanDerWaalsContact OD1-CD2 3.25Å; N173-Y224 WeakPolarHBondContact OD1-CD2 3.49Å; N173-Y224 WeakPolarHBondContact OD1-CE2 3.41Å; Y224-L226 VanDerWaalsContact C-N 3.32Å; Y224-L226 PolarHBondContact O-N 3.41Å | ||
| 225 | E | 41.2 | Very low | 46.6 | Very low | 179 Ų | 179 | 84.8 Ų | 84.8 | 84% | 0.836 | 47% | 0.466 | S | S | * | . | trans | -67.1 | 95.4 | 159.2 | -72.7 | -178.6 | 174.7 | 0 | 0 | 107.2 | P227 | E225-P227 WeakPolarHBondContact O-CD 3.26Š| ||
| 226 | L | 49.9 | Very low | 49.2 | Very low | 59 Ų | 59 | 83.4 Ų | 83.4 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | trans | -59.7 | 124.6 | 158.5 | -98.9 | 88.5 | 0 | 0 | 0 | 106.3 | I178 Y186 Y224 Q228 V231 | I178-L226 HydrophobicContact CD1-CD1 4.01Å; I178-L226 HydrophobicContact CD1-CG 4.05Å; Y186-L226 HydrophobicContact CD1-CD2 4.4Å; Y186-L226 HydrophobicContact CE1-CD2 3.91Å; Y186-L226 HydrophobicContact CE2-CD2 4.4Å; Y224-L226 VanDerWaalsContact C-N 3.32Å; Y224-L226 PolarHBondContact O-N 3.41Å; L226-Q228 PolarHBondContact O-N 3.27Å; L226-Q228 VanDerWaalsContact O-N 3.14Å; L226-V231 HydrophobicContact CB-CG2 3.78Å; L226-V231 HydrophobicContact CD2-CG2 3.41Å; L226-V231 VanDerWaalsContact CD2-CG2 3.41Å; L226-V231 HydrophobicContact CG-CG2 4.22Å | ||
| 227 | P | 56.4 | Low | 51.5 | Low | 69 Ų | 69 | 79 Ų | 79 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | trans | -56.1 | 126.3 | -179.6 | -23 | 31.6 | 0 | 0 | 0 | 109.5 | E225 S229 V230 V231 | E225-P227 WeakPolarHBondContact O-CD 3.26Å; P227-S229 VanDerWaalsContact CB-OG 3.31Å; P227-S229 WeakPolarHBondContact CB-OG 3.41Å; P227-S229 PolarHBondContact O-N 3.27Å; P227-V230 HydrophobicContact CB-CG2 4.25Å; P227-V230 HydrophobicContact CG-CG2 4.48Å; P227-V230 PolarHBondContact O-N 3.12Å; P227-V231 PolarHBondContact O-N 3.04Å | ||
| 228 | Q | 60.8 | Low | 53.8 | Low | 60 Ų | 60 | 73.6 Ų | 73.6 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -52.6 | -30.7 | 176.1 | -64.4 | -179.4 | 11.7 | 0 | 0 | 111.1 | L226 V230 L232 L261 | L226-Q228 PolarHBondContact O-N 3.27Å; L226-Q228 VanDerWaalsContact O-N 3.14Å; Q228-V230 PolarHBondContact O-N 3.47Å; Q228-L232 WeakPolarHBondContact O-CB 3.35Å; Q228-L232 PolarHBondContact O-N 2.83Å; Q228-L261 HydrophobicContact CG-CD2 3.9Å |
| 229 | S | 64.1 | Low | 56.4 | Low | 94 Ų | 94 | 67 Ų | 67 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60 | -24 | 175.6 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | P227 P233 | P227-S229 VanDerWaalsContact CB-OG 3.31Å; P227-S229 WeakPolarHBondContact CB-OG 3.41Å; P227-S229 PolarHBondContact O-N 3.27Å; S229-P233 WeakPolarHBondContact O-CD 3.22Å; S229-P233 WeakPolarHBondContact O-CG 3.44Å |
| 230 | V | 62.4 | Low | 58.9 | Low | 57 Ų | 57 | 71.1 Ų | 71.1 | 35% | 0.345 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -96.2 | -43.9 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | P227 Q228 L234 | P227-V230 HydrophobicContact CB-CG2 4.25Å; P227-V230 HydrophobicContact CG-CG2 4.48Å; P227-V230 PolarHBondContact O-N 3.12Å; Q228-V230 PolarHBondContact O-N 3.47Å; V230-L234 WeakPolarHBondContact O-CD1 3.32Å; V230-L234 WeakPolarHBondContact O-CG 3.41Å |
| 231 | V | 68.1 | Low | 61.2 | Low | 15 Ų | 15 | 71 Ų | 71 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -78.4 | -45 | -172.7 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | L226 P227 L234 L235 | L226-V231 HydrophobicContact CB-CG2 3.78Å; L226-V231 HydrophobicContact CD2-CG2 3.41Å; L226-V231 VanDerWaalsContact CD2-CG2 3.41Å; L226-V231 HydrophobicContact CG-CG2 4.22Å; P227-V231 PolarHBondContact O-N 3.04Å; V231-L234 WeakPolarHBondContact O-CB 3.18Å; V231-L234 PolarHBondContact O-N 3.42Å; V231-L234 VanDerWaalsContact O-N 3.11Å; V231-L235 HydrophobicContact CG1-CD1 3.78Å; V231-L235 HydrophobicContact CG1-CG 4.07Å; V231-L235 PolarHBondContact O-N 2.96Å; V231-L235 VanDerWaalsContact O-N 3.08Å |
| 232 | L | 72.7 | Confident | 63.2 | Low | 28 Ų | 28 | 76.2 Ų | 76.2 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | -172.9 | -172.3 | 66.1 | 0 | 0 | 0 | 111.8 | Q228 L234 L235 M236 L254 T265 V269 V270 | Q228-L232 WeakPolarHBondContact O-CB 3.35Å; Q228-L232 PolarHBondContact O-N 2.83Å; L232-L234 VanDerWaalsContact C-N 3.25Å; L232-L234 PolarHBondContact O-N 3.1Å; L232-L235 PolarHBondContact O-N 3.29Å; L232-L235 VanDerWaalsContact O-N 3.17Å; L232-M236 HydrophobicContact CD1-CE 3.81Å; L232-M236 HydrophobicContact CD1-SD 4.41Å; L232-M236 HydrophobicContact CG-CE 4.49Å; L232-M236 HydrophobicContact CG-CG 4.44Å; L232-M236 VanDerWaalsContact O-CG 3.24Å; L232-M236 WeakPolarHBondContact O-CG 3.33Å; L232-M236 PolarHBondContact O-N 3.4Å; L232-L254 HydrophobicContact CD1-CD2 4.44Å; L232-T265 HydrophobicContact CD2-CG2 3.63Å; L232-V269 HydrophobicContact CD2-CG1 4.18Å; L232-V270 HydrophobicContact CD1-CG2 4.21Å |
| 233 | P | 74.4 | Confident | 65.2 | Low | 73 Ų | 73 | 72.4 Ų | 72.4 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.4 | -34.2 | 176.9 | -25.3 | 36.1 | 0 | 0 | 0 | 114.1 | S229 M236 E237 | S229-P233 WeakPolarHBondContact O-CD 3.22Å; S229-P233 WeakPolarHBondContact O-CG 3.44Å; P233-M236 PolarHBondContact O-N 3.48Å; P233-E237 PolarHBondContact O-N 2.78Å |
| 234 | L | 72 | Confident | 67.2 | Low | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 177.4 | -64.8 | 171.6 | 0 | 0 | 0 | 111.2 | R187 F190 V230 V231 L232 M236 E237 L238 | R187-L234 HydrophobicContact CG-CD2 3.86Å; F190-L234 HydrophobicContact CD2-CB 4.28Å; F190-L234 HydrophobicContact CD2-CD1 3.86Å; F190-L234 HydrophobicContact CE2-CD1 4.23Å; V230-L234 WeakPolarHBondContact O-CD1 3.32Å; V230-L234 WeakPolarHBondContact O-CG 3.41Å; V231-L234 WeakPolarHBondContact O-CB 3.18Å; V231-L234 PolarHBondContact O-N 3.42Å; V231-L234 VanDerWaalsContact O-N 3.11Å; L232-L234 VanDerWaalsContact C-N 3.25Å; L232-L234 PolarHBondContact O-N 3.1Å; L234-M236 VanDerWaalsContact C-N 3.28Å; L234-M236 PolarHBondContact O-N 3.38Å; L234-E237 WeakPolarHBondContact O-CB 3.46Å; L234-E237 PolarHBondContact O-N 2.84Å; L234-L238 WeakPolarHBondContact O-CG 3.25Å; L234-L238 PolarHBondContact O-N 3.46Å |
| 235 | L | 73.8 | Confident | 68.7 | Low | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 173.8 | -59.8 | 176.6 | 0 | 0 | 0 | 110.8 | F190 V231 L232 E237 L238 S239 D250 T253 L254 F257 | F190-L235 HydrophobicContact CD1-CD2 4.36Å; F190-L235 HydrophobicContact CE1-CD2 3.89Å; V231-L235 HydrophobicContact CG1-CD1 3.78Å; V231-L235 HydrophobicContact CG1-CG 4.07Å; V231-L235 PolarHBondContact O-N 2.96Å; V231-L235 VanDerWaalsContact O-N 3.08Å; L232-L235 PolarHBondContact O-N 3.29Å; L232-L235 VanDerWaalsContact O-N 3.17Å; L235-E237 VanDerWaalsContact C-N 3.3Å; L235-E237 PolarHBondContact O-N 2.72Å; L235-L238 PolarHBondContact O-N 3.23Å; L235-S239 PolarHBondContact O-N 3.15Å; L235-D250 WeakPolarHBondContact CA-OD1 3.38Å; L235-D250 WeakPolarHBondContact CD2-OD1 3.43Å; L235-D250 VanDerWaalsContact O-OD2 3.1Å; L235-T253 HydrophobicContact CD2-CG2 3.91Å; L235-L254 HydrophobicContact CB-CD2 3.84Å; L235-L254 HydrophobicContact CB-CG 4.12Å; L235-L254 HydrophobicContact CD1-CD2 3.56Å; L235-L254 HydrophobicContact CD1-CG 4.01Å; L235-L254 HydrophobicContact CG-CD2 4.31Å; L235-F257 HydrophobicContact CD1-CD2 4.45Å |
| 236 | M | 81 | Confident | 70 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 19% | 0.192 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 175.1 | -62.7 | -50.3 | 81.1 | 0 | 0 | 112.7 | L232 P233 L234 S239 L254 V269 L273 | L232-M236 HydrophobicContact CD1-CE 3.81Å; L232-M236 HydrophobicContact CD1-SD 4.41Å; L232-M236 HydrophobicContact CG-CE 4.49Å; L232-M236 HydrophobicContact CG-CG 4.44Å; L232-M236 VanDerWaalsContact O-CG 3.24Å; L232-M236 WeakPolarHBondContact O-CG 3.33Å; L232-M236 PolarHBondContact O-N 3.4Å; P233-M236 PolarHBondContact O-N 3.48Å; L234-M236 VanDerWaalsContact C-N 3.28Å; L234-M236 PolarHBondContact O-N 3.38Å; M236-S239 PolarHBondContact O-OG 3.35Å; M236-L254 HydrophobicContact CE-CD1 4.31Å; M236-L254 HydrophobicContact CE-CD2 3.94Å; M236-V269 HydrophobicContact SD-CG1 4.16Å; M236-L273 HydrophobicContact CE-CD1 3.35Å; M236-L273 HydrophobicContact SD-CD1 3.09Å; M236-L273 WeakPolarHBondContact SD-CD1 3.39Å; M236-L273 HydrophobicContact SD-CG 4.43Å |
| 237 | E | 74 | Confident | 71.3 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.9 | -44.5 | 175.8 | -167.5 | 176 | 173.6 | 0 | 0 | 110.9 | P233 L234 L235 S239 K240 | P233-E237 PolarHBondContact O-N 2.78Å; L234-E237 WeakPolarHBondContact O-CB 3.46Å; L234-E237 PolarHBondContact O-N 2.84Å; L235-E237 VanDerWaalsContact C-N 3.3Å; L235-E237 PolarHBondContact O-N 2.72Å; E237-S239 PolarHBondContact O-N 3.06Å; E237-K240 PolarHBondContact O-N 3.02Å |
| 238 | L | 71.7 | Confident | 72.1 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -32.7 | 178.5 | -68.5 | -176.9 | 0 | 0 | 0 | 113.9 | F190 L234 L235 K240 D241 V246 D250 | F190-L238 HydrophobicContact CB-CD1 3.81Å; F190-L238 HydrophobicContact CB-CG 4.48Å; F190-L238 HydrophobicContact CD1-CD1 3.68Å; F190-L238 HydrophobicContact CG-CD1 4.14Å; F190-L238 VanDerWaalsContact O-CD2 3.29Å; F190-L238 WeakPolarHBondContact O-CD2 3.29Å; L234-L238 WeakPolarHBondContact O-CG 3.25Å; L234-L238 PolarHBondContact O-N 3.46Å; L235-L238 PolarHBondContact O-N 3.23Å; L238-K240 PolarHBondContact O-N 2.87Å; L238-D241 VanDerWaalsContact O-CB 3.27Å; L238-D241 WeakPolarHBondContact O-CB 3.31Å; L238-D241 PolarHBondContact O-N 3.43Å; L238-V246 HydrophobicContact CD2-CG1 4.14Å; L238-D250 HydrophobicContact CB-CB 3.9Å; L238-D250 WeakPolarHBondContact CB-OD1 3.36Å |
| 239 | S | 80.3 | Confident | 72.4 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 21% | 0.21 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.4 | 175.3 | 76.4 | 0 | 0 | 0 | 0 | 113.4 | L235 M236 E237 R247 D250 | L235-S239 PolarHBondContact O-N 3.15Å; M236-S239 PolarHBondContact O-OG 3.35Å; E237-S239 PolarHBondContact O-N 3.06Å; S239-R247 VanDerWaalsContact O-CD 3.26Å; S239-R247 WeakPolarHBondContact O-CD 3.29Å; S239-D250 WeakPolarHBondContact CA-OD2 3.28Å; S239-D250 WeakPolarHBondContact CB-OD2 3.39Å; S239-D250 PolarHBondContact N-OD2 3.36Å; S239-D250 VanDerWaalsContact N-OD2 3.14Å |
| 240 | K | 79.1 | Confident | 73 | Confident | 159 Ų | 159 | 49.8 Ų | 49.8 | 69% | 0.691 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 7.2 | 177.6 | -59.7 | 178.2 | -174.7 | 174.1 | 0 | 113.2 | E237 L238 | E237-K240 PolarHBondContact O-N 3.02Å; L238-K240 PolarHBondContact O-N 2.87Å |
| 241 | D | 75 | Confident | 73.9 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | trans | -64.7 | 148.6 | -179.8 | -164.3 | -83.2 | 0 | 0 | 0 | 111.3 | L238 D243 V246 R247 | L238-D241 VanDerWaalsContact O-CB 3.27Å; L238-D241 WeakPolarHBondContact O-CB 3.31Å; L238-D241 PolarHBondContact O-N 3.43Å; D241-D243 PolarHBondContact OD1-N 2.79Å; D241-V246 HydrophobicContact CB-CB 3.96Å; D241-V246 HydrophobicContact CB-CG1 3.47Å; D241-V246 VanDerWaalsContact CB-CG1 3.47Å; D241-R247 HydrophobicContact CB-CG 4.47Å; D241-R247 VanDerWaalsContact O-CD 3.26Å; D241-R247 WeakPolarHBondContact O-CD 3.15Å; D241-R247 WeakPolarHBondContact O-CG 3.04Å; D241-R247 PolarHBondContact O-NH1 2.88Å | ||
| 242 | E | 72.3 | Confident | 74.2 | Confident | 179 Ų | 179 | 50.8 Ų | 50.8 | 84% | 0.836 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -70 | -32.5 | -179.4 | -63.7 | -66.1 | 156.8 | 0 | 0 | 112 | K244 R247 | E242-K244 PolarHBondContact O-N 3.33Å; E242-R247 VanDerWaalsContact C-NH1 3.34Å; E242-R247 PolarHBondContact O-NH1 2.91Å |
| 243 | D | 70.6 | Confident | 74.2 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | trans | -78.1 | 122 | 178.3 | -172 | -9.8 | 0 | 0 | 0 | 110.9 | D241 F245 V246 R247 | D241-D243 PolarHBondContact OD1-N 2.79Å; D243-F245 PolarHBondContact O-N 3.46Å; D243-F245 WeakPolarHBondContact OD1-CD2 3.24Å; D243-F245 PolarHBondContact OD1-N 3.36Å; D243-V246 HydrophobicContact CB-CB 4.17Å; D243-V246 HydrophobicContact CB-CG2 3.76Å; D243-V246 WeakPolarHBondContact O-CB 3.3Å; D243-V246 PolarHBondContact O-N 2.89Å; D243-R247 PolarHBondContact O-N 3.44Å; D243-R247 VanDerWaalsContact O-N 3.14Å | ||
| 244 | K | 72.2 | Confident | 74.4 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.7 | -36.1 | 175.3 | 65.5 | 177.2 | -176.8 | 174.9 | 0 | 113.1 | E242 V246 R247 E248 | E242-K244 PolarHBondContact O-N 3.33Å; K244-V246 PolarHBondContact O-N 3.46Å; K244-R247 PolarHBondContact O-N 3.13Å; K244-E248 WeakPolarHBondContact O-CB 3.19Å; K244-E248 VanDerWaalsContact O-CG 3.22Å; K244-E248 WeakPolarHBondContact O-CG 3.29Å; K244-E248 PolarHBondContact O-N 2.95Å |
| 245 | F | 71 | Confident | 74.7 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 22% | 0.219 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.6 | -26.2 | -179.8 | -63.4 | -64.5 | 0 | 0 | 0 | 111.3 | K195 D243 E248 A249 | K195-F245 HydrophobicContact CB-CB 4.06Å; K195-F245 HydrophobicContact CB-CD2 4.46Å; K195-F245 HydrophobicContact CB-CG 4.22Å; K195-F245 HydrophobicContact CD-CB 4.46Å; K195-F245 HydrophobicContact CD-CD1 3.74Å; K195-F245 HydrophobicContact CD-CD2 3.99Å; K195-F245 HydrophobicContact CD-CE1 3.89Å; K195-F245 HydrophobicContact CD-CE2 4.11Å; K195-F245 HydrophobicContact CD-CG 3.8Å; K195-F245 HydrophobicContact CD-CZ 4.06Å; K195-F245 VanDerWaalsContact CE-CE1 3.45Å; K195-F245 HydrophobicContact CG-CB 4Å; K195-F245 HydrophobicContact CG-CD1 4.02Å; K195-F245 HydrophobicContact CG-CD2 4.4Å; K195-F245 HydrophobicContact CG-CG 3.88Å; K195-F245 VanDerWaalsContact NZ-CE1 3.25Å; D243-F245 PolarHBondContact O-N 3.46Å; D243-F245 WeakPolarHBondContact OD1-CD2 3.24Å; D243-F245 PolarHBondContact OD1-N 3.36Å; F245-E248 WeakPolarHBondContact CD1-OE2 3.44Å; F245-A249 WeakPolarHBondContact O-CB 3.33Å; F245-A249 PolarHBondContact O-N 3.01Å |
| 246 | V | 67.5 | Low | 74.7 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.2 | -49.7 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | I198 L238 D241 D243 K244 E248 A249 D250 | I198-V246 HydrophobicContact CD1-CB 3.86Å; I198-V246 HydrophobicContact CD1-CG1 3.77Å; I198-V246 HydrophobicContact CD1-CG2 3.94Å; I198-V246 WeakPolarHBondContact CD1-O 3.41Å; L238-V246 HydrophobicContact CD2-CG1 4.14Å; D241-V246 HydrophobicContact CB-CB 3.96Å; D241-V246 HydrophobicContact CB-CG1 3.47Å; D241-V246 VanDerWaalsContact CB-CG1 3.47Å; D243-V246 HydrophobicContact CB-CB 4.17Å; D243-V246 HydrophobicContact CB-CG2 3.76Å; D243-V246 WeakPolarHBondContact O-CB 3.3Å; D243-V246 PolarHBondContact O-N 2.89Å; K244-V246 PolarHBondContact O-N 3.46Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.22Å; V246-A249 PolarHBondContact O-N 3.25Å; V246-D250 WeakPolarHBondContact O-CB 3.26Å; V246-D250 PolarHBondContact O-N 3.41Å |
| 247 | R | 77.8 | Confident | 74.4 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 17% | 0.17 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 176.3 | -60.9 | -161.9 | -61.9 | -76.6 | 7.3 | 112.8 | S239 D241 E242 D243 K244 F251 F277 E280 | S239-R247 VanDerWaalsContact O-CD 3.26Å; S239-R247 WeakPolarHBondContact O-CD 3.29Å; D241-R247 HydrophobicContact CB-CG 4.47Å; D241-R247 VanDerWaalsContact O-CD 3.26Å; D241-R247 WeakPolarHBondContact O-CD 3.15Å; D241-R247 WeakPolarHBondContact O-CG 3.04Å; D241-R247 PolarHBondContact O-NH1 2.88Å; E242-R247 VanDerWaalsContact C-NH1 3.34Å; E242-R247 PolarHBondContact O-NH1 2.91Å; D243-R247 PolarHBondContact O-N 3.44Å; D243-R247 VanDerWaalsContact O-N 3.14Å; K244-R247 PolarHBondContact O-N 3.13Å; R247-F251 WeakPolarHBondContact O-CB 3.35Å; R247-F251 PolarHBondContact O-N 3.44Å; R247-F277 HydrophobicContact CB-CE2 4.19Å; R247-E280 IonicContact CZ-OE1 3.52Å; R247-E280 IonicContact NE-OE1 3.48Å; R247-E280 PolarHBondContact NE-OE1 2.72Å; R247-E280 IonicContact NH2-OE1 2.78Å; R247-E280 PolarHBondContact NH2-OE1 2.83Å |
| 248 | E | 74.2 | Confident | 74.6 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 178.2 | -77.9 | 166.9 | -176.4 | 0 | 0 | 112.5 | K244 F245 V246 F251 E252 F277 S286 S288 G289 | K244-E248 WeakPolarHBondContact O-CB 3.19Å; K244-E248 VanDerWaalsContact O-CG 3.22Å; K244-E248 WeakPolarHBondContact O-CG 3.29Å; K244-E248 PolarHBondContact O-N 2.95Å; F245-E248 WeakPolarHBondContact CD1-OE2 3.44Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.22Å; E248-F251 WeakPolarHBondContact O-CB 3.4Å; E248-F251 PolarHBondContact O-N 2.98Å; E248-E252 PolarHBondContact O-N 3.48Å; E248-F277 HydrophobicContact CB-CZ 4.4Å; E248-F277 HydrophobicContact CG-CE2 4.28Å; E248-F277 HydrophobicContact CG-CZ 3.85Å; E248-S286 PolarHBondContact OE1-OG 2.7Å; E248-S288 WeakPolarHBondContact OE1-CB 3.34Å; E248-S288 PolarHBondContact OE1-OG 3.13Å; E248-S288 WeakPolarHBondContact OE2-CB 3.39Å; E248-S288 PolarHBondContact OE2-OG 3.35Å; E248-S288 VanDerWaalsContact OE2-OG 3.05Å; E248-G289 PolarHBondContact OE1-N 3.47Å; E248-G289 VanDerWaalsContact OE1-N 3.16Å |
| 249 | A | 67.3 | Low | 74.9 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79 | -27.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I198 F245 V246 T253 | I198-A249 HydrophobicContact CB-CB 3.43Å; I198-A249 VanDerWaalsContact CB-CB 3.43Å; I198-A249 HydrophobicContact CD1-CB 3.76Å; I198-A249 HydrophobicContact CG1-CB 4.22Å; I198-A249 HydrophobicContact CG2-CB 3.21Å; F245-A249 WeakPolarHBondContact O-CB 3.33Å; F245-A249 PolarHBondContact O-N 3.01Å; V246-A249 PolarHBondContact O-N 3.25Å; A249-T253 WeakPolarHBondContact O-CB 3.32Å; A249-T253 PolarHBondContact O-N 2.8Å; A249-T253 VanDerWaalsContact O-N 3.08Å; A249-T253 PolarHBondContact O-OG1 3.44Å |
| 250 | D | 75 | Confident | 74.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 164.9 | -179.7 | 59.3 | 0 | 0 | 0 | 111.1 | L235 L238 S239 V246 E252 T253 L254 | L235-D250 WeakPolarHBondContact CA-OD1 3.38Å; L235-D250 WeakPolarHBondContact CD2-OD1 3.43Å; L235-D250 VanDerWaalsContact O-OD2 3.1Å; L238-D250 HydrophobicContact CB-CB 3.9Å; L238-D250 WeakPolarHBondContact CB-OD1 3.36Å; S239-D250 WeakPolarHBondContact CA-OD2 3.28Å; S239-D250 WeakPolarHBondContact CB-OD2 3.39Å; S239-D250 PolarHBondContact N-OD2 3.36Å; S239-D250 VanDerWaalsContact N-OD2 3.14Å; V246-D250 WeakPolarHBondContact O-CB 3.26Å; V246-D250 PolarHBondContact O-N 3.41Å; D250-E252 PolarHBondContact O-N 3.04Å; D250-T253 CarbonylContact O-C 3.59Å; D250-T253 WeakPolarHBondContact O-CB 3.47Å; D250-T253 PolarHBondContact O-N 3.12Å; D250-T253 VanDerWaalsContact O-N 3.12Å; D250-L254 PolarHBondContact O-N 2.83Å |
| 251 | F | 81.3 | Confident | 74.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 174.6 | 173.8 | -90.5 | 0 | 0 | 0 | 112.5 | R247 E248 T253 L254 V255 I274 F277 A292 I293 A296 | R247-F251 WeakPolarHBondContact O-CB 3.35Å; R247-F251 PolarHBondContact O-N 3.44Å; E248-F251 WeakPolarHBondContact O-CB 3.4Å; E248-F251 PolarHBondContact O-N 2.98Å; F251-T253 PolarHBondContact O-N 3.02Å; F251-L254 WeakPolarHBondContact O-CB 3.49Å; F251-L254 PolarHBondContact O-N 3.48Å; F251-V255 HydrophobicContact CD1-CG2 4.14Å; F251-V255 HydrophobicContact CE1-CG2 3.72Å; F251-V255 HydrophobicContact CE2-CG2 4.15Å; F251-V255 HydrophobicContact CZ-CG2 3.73Å; F251-V255 VanDerWaalsContact O-CG2 3.3Å; F251-V255 WeakPolarHBondContact O-CG2 3.42Å; F251-V255 PolarHBondContact O-N 3.3Å; F251-I274 HydrophobicContact CD2-CG1 4.41Å; F251-I274 HydrophobicContact CE2-CB 4.15Å; F251-I274 HydrophobicContact CE2-CG1 3.94Å; F251-I274 HydrophobicContact CE2-CG2 3.89Å; F251-I274 HydrophobicContact CZ-CG2 4.38Å; F251-F277 HydrophobicContact CB-CD1 4.19Å; F251-F277 HydrophobicContact CB-CD2 4.18Å; F251-F277 HydrophobicContact CB-CE1 4.02Å; F251-F277 HydrophobicContact CB-CE2 4.01Å; F251-F277 HydrophobicContact CB-CG 4.26Å; F251-F277 HydrophobicContact CB-CZ 3.93Å; F251-F277 HydrophobicContact CD1-CD1 4.17Å; F251-F277 AromaticContact CD1-CE1 3.83Å; F251-F277 HydrophobicContact CD1-CE1 3.83Å; F251-F277 HydrophobicContact CD1-CZ 4.39Å; F251-F277 HydrophobicContact CD2-CB 4Å; F251-F277 AromaticContact CD2-CD1 3.3Å; F251-F277 HydrophobicContact CD2-CD1 3.3Å; F251-F277 HydrophobicContact CD2-CD2 4.36Å; F251-F277 AromaticContact CD2-CE1 3.82Å; F251-F277 HydrophobicContact CD2-CE1 3.82Å; F251-F277 AromaticContact CD2-CG 3.63Å; F251-F277 HydrophobicContact CD2-CG 3.63Å; F251-F277 HydrophobicContact CE1-CD1 4.41Å; F251-F277 HydrophobicContact CE1-CE1 4.23Å; F251-F277 HydrophobicContact CE2-CB 4.39Å; F251-F277 AromaticContact CE2-CD1 3.58Å; F251-F277 HydrophobicContact CE2-CD1 3.58Å; F251-F277 HydrophobicContact CE2-CE1 4.19Å; F251-F277 HydrophobicContact CE2-CG 4.2Å; F251-F277 AromaticContact CG-CD1 3.62Å; F251-F277 HydrophobicContact CG-CD1 3.62Å; F251-F277 HydrophobicContact CG-CD2 4.47Å; F251-F277 AromaticContact CG-CE1 3.61Å; F251-F277 HydrophobicContact CG-CE1 3.61Å; F251-F277 HydrophobicContact CG-CE2 4.45Å; F251-F277 HydrophobicContact CG-CG 4.08Å; F251-F277 HydrophobicContact CG-CZ 4.04Å; F251-F277 HydrophobicContact CZ-CD1 4.14Å; F251-F277 HydrophobicContact CZ-CE1 4.4Å; F251-A292 HydrophobicContact CD1-CB 3.95Å; F251-A292 HydrophobicContact CE1-CB 4.16Å; F251-I293 HydrophobicContact CE1-CG1 4.35Å; F251-I293 HydrophobicContact CZ-CG1 4.08Å; F251-A296 HydrophobicContact CE1-CB 3.72Å; F251-A296 HydrophobicContact CZ-CB 3.85Å |
| 252 | E | 75.9 | Confident | 74.8 | Confident | 88 Ų | 88 | 45 Ų | 45 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60 | -36.9 | 176.1 | -73.4 | -176.2 | -171.4 | 0 | 0 | 112.4 | E248 D250 F256 A292 | E248-E252 PolarHBondContact O-N 3.48Å; D250-E252 PolarHBondContact O-N 3.04Å; E252-F256 WeakPolarHBondContact O-CB 3.28Å; E252-F256 PolarHBondContact O-N 3.37Å; E252-F256 VanDerWaalsContact O-N 3.11Å; E252-A292 HydrophobicContact CG-CB 4.29Å |
| 253 | T | 71.1 | Confident | 75.1 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.5 | -44 | 177 | -57 | 0 | 0 | 0 | 0 | 111.1 | L235 A249 D250 F251 F256 F257 | L235-T253 HydrophobicContact CD2-CG2 3.91Å; A249-T253 WeakPolarHBondContact O-CB 3.32Å; A249-T253 PolarHBondContact O-N 2.8Å; A249-T253 VanDerWaalsContact O-N 3.08Å; A249-T253 PolarHBondContact O-OG1 3.44Å; D250-T253 CarbonylContact O-C 3.59Å; D250-T253 WeakPolarHBondContact O-CB 3.47Å; D250-T253 PolarHBondContact O-N 3.12Å; D250-T253 VanDerWaalsContact O-N 3.12Å; F251-T253 PolarHBondContact O-N 3.02Å; T253-F256 WeakPolarHBondContact O-CB 3.22Å; T253-F256 PolarHBondContact O-N 2.88Å; T253-F257 HydrophobicContact CG2-CD2 4.01Å; T253-F257 HydrophobicContact CG2-CE2 3.74Å; T253-F257 VanDerWaalsContact O-CD2 3.24Å; T253-F257 WeakPolarHBondContact O-CD2 3.46Å; T253-F257 PolarHBondContact O-N 2.92Å |
| 254 | L | 79.5 | Confident | 75.4 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 173.6 | -82.3 | 166.4 | 0 | 0 | 0 | 111.3 | L232 L235 M236 D250 F251 F256 F257 L258 V270 | L232-L254 HydrophobicContact CD1-CD2 4.44Å; L235-L254 HydrophobicContact CB-CD2 3.84Å; L235-L254 HydrophobicContact CB-CG 4.12Å; L235-L254 HydrophobicContact CD1-CD2 3.56Å; L235-L254 HydrophobicContact CD1-CG 4.01Å; L235-L254 HydrophobicContact CG-CD2 4.31Å; M236-L254 HydrophobicContact CE-CD1 4.31Å; M236-L254 HydrophobicContact CE-CD2 3.94Å; D250-L254 PolarHBondContact O-N 2.83Å; F251-L254 WeakPolarHBondContact O-CB 3.49Å; F251-L254 PolarHBondContact O-N 3.48Å; L254-F256 PolarHBondContact O-N 3.26Å; L254-F257 PolarHBondContact O-N 3.34Å; L254-F257 VanDerWaalsContact O-N 3.14Å; L254-L258 PolarHBondContact O-N 3.19Å; L254-L258 VanDerWaalsContact O-N 3.09Å; L254-V270 HydrophobicContact CD2-CG1 4.36Å |
| 255 | V | 79.1 | Confident | 75.9 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.6 | -38.5 | 179.7 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | F251 L258 I274 A296 T299 | F251-V255 HydrophobicContact CD1-CG2 4.14Å; F251-V255 HydrophobicContact CE1-CG2 3.72Å; F251-V255 HydrophobicContact CE2-CG2 4.15Å; F251-V255 HydrophobicContact CZ-CG2 3.73Å; F251-V255 VanDerWaalsContact O-CG2 3.3Å; F251-V255 WeakPolarHBondContact O-CG2 3.42Å; F251-V255 PolarHBondContact O-N 3.3Å; V255-L258 HydrophobicContact CB-CD1 4.31Å; V255-L258 HydrophobicContact CG1-CD1 4.34Å; V255-L258 HydrophobicContact CG2-CD1 4.31Å; V255-L258 WeakPolarHBondContact O-CB 3.18Å; V255-L258 PolarHBondContact O-N 2.88Å; V255-I274 HydrophobicContact CG2-CD1 4.31Å; V255-A296 HydrophobicContact CB-CB 4.2Å; V255-A296 HydrophobicContact CG1-CB 3.62Å; V255-A296 HydrophobicContact CG2-CB 3.6Å; V255-T299 HydrophobicContact CG1-CG2 4.17Å; V255-T299 WeakPolarHBondContact O-CG2 3.47Å |
| 256 | F | 74 | Confident | 76.5 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 9% | 0.092 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -38.2 | 177.8 | 167.9 | -92.6 | 0 | 0 | 0 | 113.7 | V205 Q208 R209 E252 T253 L254 L258 P259 | V205-F256 VanDerWaalsContact CA-CZ 3.44Å; V205-F256 HydrophobicContact CB-CD1 4.26Å; V205-F256 HydrophobicContact CB-CD2 4.22Å; V205-F256 HydrophobicContact CB-CE1 4.12Å; V205-F256 HydrophobicContact CB-CE2 4.06Å; V205-F256 HydrophobicContact CB-CG 4.22Å; V205-F256 HydrophobicContact CB-CZ 3.93Å; V205-F256 HydrophobicContact CG1-CB 4.15Å; V205-F256 HydrophobicContact CG1-CD1 4.29Å; V205-F256 HydrophobicContact CG1-CD2 3.55Å; V205-F256 HydrophobicContact CG1-CE1 4.46Å; V205-F256 HydrophobicContact CG1-CE2 3.74Å; V205-F256 HydrophobicContact CG1-CG 3.75Å; V205-F256 HydrophobicContact CG1-CZ 4.13Å; V205-F256 HydrophobicContact CG2-CB 4.37Å; V205-F256 HydrophobicContact CG2-CD1 3.55Å; V205-F256 HydrophobicContact CG2-CD2 4.34Å; V205-F256 HydrophobicContact CG2-CE1 3.62Å; V205-F256 HydrophobicContact CG2-CE2 4.38Å; V205-F256 HydrophobicContact CG2-CG 3.85Å; V205-F256 HydrophobicContact CG2-CZ 3.97Å; V205-F256 WeakPolarHBondContact O-CE2 3.27Å; Q208-F256 HydrophobicContact CB-CE2 3.76Å; Q208-F256 HydrophobicContact CB-CZ 3.41Å; Q208-F256 VanDerWaalsContact CB-CZ 3.41Å; Q208-F256 VanDerWaalsContact CD-CZ 3.43Å; Q208-F256 HydrophobicContact CG-CE1 4.33Å; Q208-F256 HydrophobicContact CG-CE2 4.43Å; Q208-F256 HydrophobicContact CG-CZ 3.58Å; R209-F256 HydrophobicContact CG-CE2 4.48Å; E252-F256 WeakPolarHBondContact O-CB 3.28Å; E252-F256 PolarHBondContact O-N 3.37Å; E252-F256 VanDerWaalsContact O-N 3.11Å; T253-F256 WeakPolarHBondContact O-CB 3.22Å; T253-F256 PolarHBondContact O-N 2.88Å; L254-F256 PolarHBondContact O-N 3.26Å; F256-L258 VanDerWaalsContact C-N 3.34Å; F256-P259 VanDerWaalsContact O-CD 3.25Å; F256-P259 WeakPolarHBondContact O-CD 3.31Å |
| 257 | F | 73.2 | Confident | 77.1 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 18% | 0.184 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.1 | -17.8 | 177.5 | -75.3 | -66.8 | 0 | 0 | 0 | 113.1 | L235 T253 L254 P259 Q260 L261 | L235-F257 HydrophobicContact CD1-CD2 4.45Å; T253-F257 HydrophobicContact CG2-CD2 4.01Å; T253-F257 HydrophobicContact CG2-CE2 3.74Å; T253-F257 VanDerWaalsContact O-CD2 3.24Å; T253-F257 WeakPolarHBondContact O-CD2 3.46Å; T253-F257 PolarHBondContact O-N 2.92Å; L254-F257 PolarHBondContact O-N 3.34Å; L254-F257 VanDerWaalsContact O-N 3.14Å; F257-P259 VanDerWaalsContact C-CD 3.4Å; F257-P259 VanDerWaalsContact C-N 3.32Å; F257-P259 VanDerWaalsContact O-N 3.1Å; F257-Q260 WeakPolarHBondContact O-CB 3.34Å; F257-Q260 PolarHBondContact O-N 3.39Å; F257-L261 PolarHBondContact O-N 2.85Å |
| 258 | L | 78.7 | Confident | 77.2 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -44 | -46.3 | -178.7 | -78.1 | 173.1 | 0 | 0 | 0 | 114.6 | L254 V255 F256 Q260 L261 C266 V270 I274 T299 L300 V303 | L254-L258 PolarHBondContact O-N 3.19Å; L254-L258 VanDerWaalsContact O-N 3.09Å; V255-L258 HydrophobicContact CB-CD1 4.31Å; V255-L258 HydrophobicContact CG1-CD1 4.34Å; V255-L258 HydrophobicContact CG2-CD1 4.31Å; V255-L258 WeakPolarHBondContact O-CB 3.18Å; V255-L258 PolarHBondContact O-N 2.88Å; F256-L258 VanDerWaalsContact C-N 3.34Å; L258-Q260 PolarHBondContact O-N 3.29Å; L258-L261 PolarHBondContact O-N 3.24Å; L258-C266 PolarHBondContact O-SG 3.07Å; L258-C266 VanDerWaalsContact O-SG 3.37Å; L258-V270 HydrophobicContact CD2-CB 4.12Å; L258-V270 HydrophobicContact CD2-CG1 3.49Å; L258-V270 VanDerWaalsContact CD2-CG1 3.49Å; L258-V270 HydrophobicContact CG-CG1 4.48Å; L258-I274 HydrophobicContact CD1-CD1 3.76Å; L258-I274 HydrophobicContact CD2-CD1 4.08Å; L258-I274 HydrophobicContact CG-CD1 4.31Å; L258-T299 HydrophobicContact CB-CG2 4.37Å; L258-T299 HydrophobicContact CD1-CG2 4.42Å; L258-L300 HydrophobicContact CD1-CD2 3.65Å; L258-V303 HydrophobicContact CB-CG2 4.09Å |
| 259 | P | 77.8 | Confident | 77.7 | Confident | 63 Ų | 63 | 43.2 Ų | 43.2 | 41% | 0.409 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -66.2 | -19.4 | -177.6 | -21.7 | 35.9 | 0 | 0 | 0 | 114.6 | F256 F257 T299 | F256-P259 VanDerWaalsContact O-CD 3.25Å; F256-P259 WeakPolarHBondContact O-CD 3.31Å; F257-P259 VanDerWaalsContact C-CD 3.4Å; F257-P259 VanDerWaalsContact C-N 3.32Å; F257-P259 VanDerWaalsContact O-N 3.1Å; P259-T299 HydrophobicContact CG-CG2 3.85Å |
| 260 | Q | 74.9 | Confident | 78.4 | Confident | 100 Ų | 100 | 42.4 Ų | 42.4 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -97.4 | -14.7 | -177.5 | -65.3 | 168.2 | 59.9 | 0 | 0 | 113 | F257 L258 | F257-Q260 WeakPolarHBondContact O-CB 3.34Å; F257-Q260 PolarHBondContact O-N 3.39Å; L258-Q260 PolarHBondContact O-N 3.29Å |
| 261 | L | 76.9 | Confident | 78.9 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -78.3 | 149.6 | 179.5 | -66.5 | 177 | 0 | 0 | 0 | 110.8 | Q228 F257 L258 C266 V270 | Q228-L261 HydrophobicContact CG-CD2 3.9Å; F257-L261 PolarHBondContact O-N 2.85Å; L258-L261 PolarHBondContact O-N 3.24Å; L261-C266 VanDerWaalsContact CB-SG 3.54Å; L261-V270 HydrophobicContact CD1-CG2 3.73Å |
| 262 | E | 80.1 | Confident | 79.1 | Confident | 122 Ų | 122 | 45 Ų | 45 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | trans | -60 | 146.1 | 173 | -69.2 | 178.4 | -176.4 | 0 | 0 | 110.4 | E264 T265 C266 | E262-E264 PolarHBondContact O-N 3.42Å; E262-T265 PolarHBondContact O-N 3.34Å; E262-T265 VanDerWaalsContact O-N 3.13Å; E262-C266 PolarHBondContact O-N 3.21Å | ||
| 263 | Q | 78.4 | Confident | 79.6 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -33.4 | -174.5 | -169.2 | 61.5 | 27.1 | 0 | 0 | 112.4 | S267 S307 | Q263-S267 VanDerWaalsContact O-CB 3.3Å; Q263-S267 WeakPolarHBondContact O-CB 3.28Å; Q263-S267 PolarHBondContact O-N 3.43Å; Q263-S267 PolarHBondContact O-OG 2.99Å; Q263-S307 PolarHBondContact NE2-OG 3.34Å |
| 264 | E | 78.5 | Confident | 80.4 | Confident | 136 Ų | 136 | 42.8 Ų | 42.8 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -66.9 | -46.6 | 176.3 | -168.6 | 176.7 | 173.1 | 0 | 0 | 111.2 | E262 S267 N268 | E262-E264 PolarHBondContact O-N 3.42Å; E264-S267 PolarHBondContact O-N 3.23Å; E264-N268 VanDerWaalsContact CG-ND2 3.33Å; E264-N268 WeakPolarHBondContact CG-ND2 3.4Å; E264-N268 WeakPolarHBondContact O-CB 3.26Å; E264-N268 PolarHBondContact O-N 3.46Å |
| 265 | T | 82.4 | Confident | 80.8 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | L232 E262 S267 V269 V270 | L232-T265 HydrophobicContact CD2-CG2 3.63Å; E262-T265 PolarHBondContact O-N 3.34Å; E262-T265 VanDerWaalsContact O-N 3.13Å; T265-S267 VanDerWaalsContact C-N 3.34Å; T265-S267 PolarHBondContact O-N 3.21Å; T265-V269 HydrophobicContact CG2-CB 4.39Å; T265-V269 WeakPolarHBondContact O-CB 3.17Å; T265-V269 PolarHBondContact O-N 3.05Å; T265-V270 HydrophobicContact CG2-CG2 4.45Å; T265-V270 PolarHBondContact O-N 3.3Å |
| 266 | C | 82.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -54.7 | -51.1 | 172.1 | -79.7 | 0 | 0 | 0 | 0 | 111.1 | L258 L261 E262 V270 M271 V303 | L258-C266 PolarHBondContact O-SG 3.07Å; L258-C266 VanDerWaalsContact O-SG 3.37Å; L261-C266 VanDerWaalsContact CB-SG 3.54Å; E262-C266 PolarHBondContact O-N 3.21Å; C266-V270 PolarHBondContact O-N 3.15Å; C266-M271 WeakPolarHBondContact O-CB 3.47Å; C266-M271 VanDerWaalsContact O-CG 3.24Å; C266-M271 WeakPolarHBondContact O-CG 3.47Å; C266-M271 PolarHBondContact O-N 3.15Å; C266-V303 HydrophobicContact CB-CG1 4.47Å |
| 267 | S | 79.7 | Confident | 82 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -72.8 | -44 | -174 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | Q263 E264 T265 R312 | Q263-S267 VanDerWaalsContact O-CB 3.3Å; Q263-S267 WeakPolarHBondContact O-CB 3.28Å; Q263-S267 PolarHBondContact O-N 3.43Å; Q263-S267 PolarHBondContact O-OG 2.99Å; E264-S267 PolarHBondContact O-N 3.23Å; T265-S267 VanDerWaalsContact C-N 3.34Å; T265-S267 PolarHBondContact O-N 3.21Å; S267-R312 PolarHBondContact O-NH2 3.45Å; S267-R312 PolarHBondContact OG-NH1 2.83Å; S267-R312 VanDerWaalsContact OG-NH1 3.15Å |
| 268 | N | 81.6 | Confident | 82.7 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -93.4 | -26.7 | -168.9 | -66.3 | -20.2 | 0 | 0 | 0 | 113 | E264 | E264-N268 VanDerWaalsContact CG-ND2 3.33Å; E264-N268 WeakPolarHBondContact CG-ND2 3.4Å; E264-N268 WeakPolarHBondContact O-CB 3.26Å; E264-N268 PolarHBondContact O-N 3.46Å |
| 269 | V | 83 | Confident | 83.1 | Confident | 60 Ų | 60 | 52 Ų | 52 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -113 | -53.4 | -173.7 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | L232 M236 T265 L273 | L232-V269 HydrophobicContact CD2-CG1 4.18Å; M236-V269 HydrophobicContact SD-CG1 4.16Å; T265-V269 HydrophobicContact CG2-CB 4.39Å; T265-V269 WeakPolarHBondContact O-CB 3.17Å; T265-V269 PolarHBondContact O-N 3.05Å; V269-L273 VanDerWaalsContact O-CD1 3.3Å; V269-L273 WeakPolarHBondContact O-CD1 3.22Å; V269-L273 WeakPolarHBondContact O-CG 3.36Å |
| 270 | V | 83.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -80.3 | -43.9 | -169.4 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | L232 L254 L258 L261 T265 C266 L273 I274 | L232-V270 HydrophobicContact CD1-CG2 4.21Å; L254-V270 HydrophobicContact CD2-CG1 4.36Å; L258-V270 HydrophobicContact CD2-CB 4.12Å; L258-V270 HydrophobicContact CD2-CG1 3.49Å; L258-V270 VanDerWaalsContact CD2-CG1 3.49Å; L258-V270 HydrophobicContact CG-CG1 4.48Å; L261-V270 HydrophobicContact CD1-CG2 3.73Å; T265-V270 HydrophobicContact CG2-CG2 4.45Å; T265-V270 PolarHBondContact O-N 3.3Å; C266-V270 PolarHBondContact O-N 3.15Å; V270-L273 WeakPolarHBondContact O-CB 3.1Å; V270-L273 PolarHBondContact O-N 3.46Å; V270-I274 HydrophobicContact CG1-CD1 3.82Å; V270-I274 HydrophobicContact CG1-CG1 4.17Å; V270-I274 WeakPolarHBondContact O-CG1 3.34Å; V270-I274 PolarHBondContact O-N 2.7Å |
| 271 | M | 84.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.4 | -47.2 | 179.5 | -80.1 | -58.8 | -57.9 | 0 | 0 | 113.2 | C266 L273 I274 E275 L300 L304 W315 | C266-M271 WeakPolarHBondContact O-CB 3.47Å; C266-M271 VanDerWaalsContact O-CG 3.24Å; C266-M271 WeakPolarHBondContact O-CG 3.47Å; C266-M271 PolarHBondContact O-N 3.15Å; M271-L273 PolarHBondContact O-N 3.42Å; M271-I274 PolarHBondContact O-N 3.11Å; M271-I274 VanDerWaalsContact O-N 3.17Å; M271-E275 WeakPolarHBondContact O-CG 3.02Å; M271-E275 PolarHBondContact O-N 3.16Å; M271-L300 HydrophobicContact SD-CD2 4.1Å; M271-L304 HydrophobicContact CE-CD1 4.42Å; M271-L304 HydrophobicContact CE-CD2 4.35Å; M271-L304 HydrophobicContact SD-CD2 4.47Å; M271-W315 HydrophobicContact CE-CZ3 4.17Å |
| 272 | P | 86.5 | Confident | 84.4 | Confident | 59 Ų | 59 | 47.7 Ų | 47.7 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.8 | -32.4 | 175.3 | -27.6 | 35.9 | 0 | 0 | 0 | 114.3 | K276 | P272-K276 VanDerWaalsContact O-CB 3.31Å; P272-K276 WeakPolarHBondContact O-CB 3.44Å; P272-K276 PolarHBondContact O-N 2.8Å |
| 273 | L | 86 | Confident | 84.7 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.6 | -39.8 | 177.9 | -66.4 | 163.6 | 0 | 0 | 0 | 111.8 | M236 V269 V270 M271 E275 K276 F277 | M236-L273 HydrophobicContact CE-CD1 3.35Å; M236-L273 HydrophobicContact SD-CD1 3.09Å; M236-L273 WeakPolarHBondContact SD-CD1 3.39Å; M236-L273 HydrophobicContact SD-CG 4.43Å; V269-L273 VanDerWaalsContact O-CD1 3.3Å; V269-L273 WeakPolarHBondContact O-CD1 3.22Å; V269-L273 WeakPolarHBondContact O-CG 3.36Å; V270-L273 WeakPolarHBondContact O-CB 3.1Å; V270-L273 PolarHBondContact O-N 3.46Å; M271-L273 PolarHBondContact O-N 3.42Å; L273-E275 VanDerWaalsContact C-N 3.34Å; L273-K276 PolarHBondContact O-N 3.07Å; L273-F277 WeakPolarHBondContact O-CB 3.4Å; L273-F277 PolarHBondContact O-N 3.44Å |
| 274 | I | 87.6 | Confident | 85 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 173.7 | -69 | -176.5 | 0 | 0 | 0 | 110 | F251 V255 L258 V270 M271 F277 A278 L300 W315 | F251-I274 HydrophobicContact CD2-CG1 4.41Å; F251-I274 HydrophobicContact CE2-CB 4.15Å; F251-I274 HydrophobicContact CE2-CG1 3.94Å; F251-I274 HydrophobicContact CE2-CG2 3.89Å; F251-I274 HydrophobicContact CZ-CG2 4.38Å; V255-I274 HydrophobicContact CG2-CD1 4.31Å; L258-I274 HydrophobicContact CD1-CD1 3.76Å; L258-I274 HydrophobicContact CD2-CD1 4.08Å; L258-I274 HydrophobicContact CG-CD1 4.31Å; V270-I274 HydrophobicContact CG1-CD1 3.82Å; V270-I274 HydrophobicContact CG1-CG1 4.17Å; V270-I274 WeakPolarHBondContact O-CG1 3.34Å; V270-I274 PolarHBondContact O-N 2.7Å; M271-I274 PolarHBondContact O-N 3.11Å; M271-I274 VanDerWaalsContact O-N 3.17Å; I274-F277 PolarHBondContact O-N 2.61Å; I274-A278 WeakPolarHBondContact O-CB 3.45Å; I274-A278 PolarHBondContact O-N 2.81Å; I274-L300 HydrophobicContact CD1-CD2 3.66Å; I274-L300 HydrophobicContact CG2-CD1 3.94Å; I274-L300 HydrophobicContact CG2-CD2 3.89Å; I274-W315 HydrophobicContact CG2-CH2 4.03Å |
| 275 | E | 88.2 | Confident | 85 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.1 | -71.6 | 176.6 | -164.2 | 0 | 0 | 111.8 | M271 L273 A278 N279 W315 | M271-E275 WeakPolarHBondContact O-CG 3.02Å; M271-E275 PolarHBondContact O-N 3.16Å; L273-E275 VanDerWaalsContact C-N 3.34Å; E275-A278 PolarHBondContact O-N 3.39Å; E275-N279 WeakPolarHBondContact O-CB 3.41Å; E275-N279 VanDerWaalsContact O-CG 3.23Å; E275-N279 PolarHBondContact O-N 2.86Å; E275-N279 PolarHBondContact O-ND2 2.91Å; E275-W315 HydrophobicContact CB-CZ2 4.24Å; E275-W315 HydrophobicContact CG-CD2 4.02Å; E275-W315 HydrophobicContact CG-CE3 4.31Å; E275-W315 HydrophobicContact CG-CH2 4.15Å; E275-W315 HydrophobicContact CG-CZ2 3.81Å; E275-W315 HydrophobicContact CG-CZ3 4.38Å |
| 276 | K | 88.6 | Confident | 84.9 | Confident | 131 Ų | 131 | 50.6 Ų | 50.6 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.5 | -50.2 | 176.5 | -175.8 | -174 | 174.8 | -168 | 0 | 111.5 | P272 L273 A278 N279 E280 | P272-K276 VanDerWaalsContact O-CB 3.31Å; P272-K276 WeakPolarHBondContact O-CB 3.44Å; P272-K276 PolarHBondContact O-N 2.8Å; L273-K276 PolarHBondContact O-N 3.07Å; K276-A278 VanDerWaalsContact C-N 3.31Å; K276-A278 PolarHBondContact O-N 3.19Å; K276-N279 PolarHBondContact O-N 3.32Å; K276-E280 WeakPolarHBondContact O-CB 3.31Å; K276-E280 PolarHBondContact O-N 3.46Å |
| 277 | F | 89.1 | Confident | 84.7 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 177.6 | 178.7 | -90.8 | 0 | 0 | 0 | 111 | R247 E248 F251 L273 I274 E280 A281 I293 | R247-F277 HydrophobicContact CB-CE2 4.19Å; E248-F277 HydrophobicContact CB-CZ 4.4Å; E248-F277 HydrophobicContact CG-CE2 4.28Å; E248-F277 HydrophobicContact CG-CZ 3.85Å; F251-F277 HydrophobicContact CB-CD1 4.19Å; F251-F277 HydrophobicContact CB-CD2 4.18Å; F251-F277 HydrophobicContact CB-CE1 4.02Å; F251-F277 HydrophobicContact CB-CE2 4.01Å; F251-F277 HydrophobicContact CB-CG 4.26Å; F251-F277 HydrophobicContact CB-CZ 3.93Å; F251-F277 HydrophobicContact CD1-CD1 4.17Å; F251-F277 AromaticContact CD1-CE1 3.83Å; F251-F277 HydrophobicContact CD1-CE1 3.83Å; F251-F277 HydrophobicContact CD1-CZ 4.39Å; F251-F277 HydrophobicContact CD2-CB 4Å; F251-F277 AromaticContact CD2-CD1 3.3Å; F251-F277 HydrophobicContact CD2-CD1 3.3Å; F251-F277 HydrophobicContact CD2-CD2 4.36Å; F251-F277 AromaticContact CD2-CE1 3.82Å; F251-F277 HydrophobicContact CD2-CE1 3.82Å; F251-F277 AromaticContact CD2-CG 3.63Å; F251-F277 HydrophobicContact CD2-CG 3.63Å; F251-F277 HydrophobicContact CE1-CD1 4.41Å; F251-F277 HydrophobicContact CE1-CE1 4.23Å; F251-F277 HydrophobicContact CE2-CB 4.39Å; F251-F277 AromaticContact CE2-CD1 3.58Å; F251-F277 HydrophobicContact CE2-CD1 3.58Å; F251-F277 HydrophobicContact CE2-CE1 4.19Å; F251-F277 HydrophobicContact CE2-CG 4.2Å; F251-F277 AromaticContact CG-CD1 3.62Å; F251-F277 HydrophobicContact CG-CD1 3.62Å; F251-F277 HydrophobicContact CG-CD2 4.47Å; F251-F277 AromaticContact CG-CE1 3.61Å; F251-F277 HydrophobicContact CG-CE1 3.61Å; F251-F277 HydrophobicContact CG-CE2 4.45Å; F251-F277 HydrophobicContact CG-CG 4.08Å; F251-F277 HydrophobicContact CG-CZ 4.04Å; F251-F277 HydrophobicContact CZ-CD1 4.14Å; F251-F277 HydrophobicContact CZ-CE1 4.4Å; L273-F277 WeakPolarHBondContact O-CB 3.4Å; L273-F277 PolarHBondContact O-N 3.44Å; I274-F277 PolarHBondContact O-N 2.61Å; F277-E280 PolarHBondContact O-N 2.94Å; F277-A281 WeakPolarHBondContact O-CB 3.42Å; F277-A281 PolarHBondContact O-N 2.81Å; F277-I293 HydrophobicContact CD1-CD1 4.33Å; F277-I293 HydrophobicContact CD1-CG1 4.11Å; F277-I293 HydrophobicContact CE1-CD1 4.29Å; F277-I293 HydrophobicContact CE1-CG1 4.03Å |
| 278 | A | 87.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I274 E275 K276 E280 A281 V282 I293 W315 I319 | I274-A278 WeakPolarHBondContact O-CB 3.45Å; I274-A278 PolarHBondContact O-N 2.81Å; E275-A278 PolarHBondContact O-N 3.39Å; K276-A278 VanDerWaalsContact C-N 3.31Å; K276-A278 PolarHBondContact O-N 3.19Å; A278-E280 VanDerWaalsContact C-N 3.34Å; A278-E280 PolarHBondContact O-N 3.47Å; A278-A281 PolarHBondContact O-N 2.99Å; A278-V282 WeakPolarHBondContact O-CB 3.38Å; A278-V282 VanDerWaalsContact O-CG2 3.22Å; A278-V282 WeakPolarHBondContact O-CG2 3.3Å; A278-V282 PolarHBondContact O-N 3.48Å; A278-I293 VanDerWaalsContact CA-CD1 3.49Å; A278-I293 HydrophobicContact CB-CD1 3.83Å; A278-I293 HydrophobicContact CB-CG1 4.23Å; A278-W315 HydrophobicContact CB-CH2 4.38Å; A278-W315 HydrophobicContact CB-CZ2 3.72Å; A278-I319 HydrophobicContact CB-CD1 4.37Å |
| 279 | N | 88.1 | Confident | 84.4 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 32% | 0.321 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 176 | -73.7 | -37.7 | 0 | 0 | 0 | 111.5 | E275 K276 V282 Q283 | E275-N279 WeakPolarHBondContact O-CB 3.41Å; E275-N279 VanDerWaalsContact O-CG 3.23Å; E275-N279 PolarHBondContact O-N 2.86Å; E275-N279 PolarHBondContact O-ND2 2.91Å; K276-N279 PolarHBondContact O-N 3.32Å; N279-V282 PolarHBondContact O-N 2.92Å; N279-Q283 WeakPolarHBondContact O-CB 3.48Å; N279-Q283 WeakPolarHBondContact O-CG 3.25Å; N279-Q283 PolarHBondContact O-N 3.06Å |
| 280 | E | 88.8 | Confident | 84.4 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -47.7 | 174.8 | -174.3 | -176.4 | 153.6 | 0 | 0 | 111.5 | R247 K276 F277 A278 V282 Q283 T284 | R247-E280 IonicContact CZ-OE1 3.52Å; R247-E280 IonicContact NE-OE1 3.48Å; R247-E280 PolarHBondContact NE-OE1 2.72Å; R247-E280 IonicContact NH2-OE1 2.78Å; R247-E280 PolarHBondContact NH2-OE1 2.83Å; K276-E280 WeakPolarHBondContact O-CB 3.31Å; K276-E280 PolarHBondContact O-N 3.46Å; F277-E280 PolarHBondContact O-N 2.94Å; A278-E280 VanDerWaalsContact C-N 3.34Å; A278-E280 PolarHBondContact O-N 3.47Å; E280-V282 VanDerWaalsContact C-N 3.32Å; E280-V282 PolarHBondContact O-N 2.88Å; E280-Q283 PolarHBondContact O-N 3.25Å; E280-T284 HydrophobicContact CG-CG2 4.24Å; E280-T284 WeakPolarHBondContact O-CB 3.49Å; E280-T284 VanDerWaalsContact O-CG2 3.31Å; E280-T284 WeakPolarHBondContact O-CG2 3.27Å; E280-T284 PolarHBondContact O-N 3.11Å; E280-T284 PolarHBondContact O-OG1 2.7Å |
| 281 | A | 85.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F277 A278 T284 K285 S286 I293 | F277-A281 WeakPolarHBondContact O-CB 3.42Å; F277-A281 PolarHBondContact O-N 2.81Å; A278-A281 PolarHBondContact O-N 2.99Å; A281-T284 PolarHBondContact O-OG1 3.09Å; A281-K285 WeakPolarHBondContact O-CA 3.35Å; A281-K285 PolarHBondContact O-N 3.05Å; A281-S286 PolarHBondContact O-N 2.94Å; A281-S286 VanDerWaalsContact O-N 3.09Å; A281-I293 HydrophobicContact CB-CD1 3.61Å |
| 282 | V | 83.2 | Confident | 83.9 | Confident | 31 Ų | 31 | 49 Ų | 49 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | A278 N279 E280 K285 I319 K322 | A278-V282 WeakPolarHBondContact O-CB 3.38Å; A278-V282 VanDerWaalsContact O-CG2 3.22Å; A278-V282 WeakPolarHBondContact O-CG2 3.3Å; A278-V282 PolarHBondContact O-N 3.48Å; N279-V282 PolarHBondContact O-N 2.92Å; E280-V282 VanDerWaalsContact C-N 3.32Å; E280-V282 PolarHBondContact O-N 2.88Å; V282-K285 PolarHBondContact O-N 3.2Å; V282-I319 HydrophobicContact CG2-CD1 4.15Å; V282-K322 HydrophobicContact CG1-CD 3.96Å |
| 283 | Q | 85.1 | Confident | 83.8 | Confident | 160 Ų | 160 | 46.3 Ų | 46.3 | 75% | 0.748 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.9 | -41.7 | 179 | -74.9 | 174.9 | 11.3 | 0 | 0 | 112.4 | N279 E280 K285 | N279-Q283 WeakPolarHBondContact O-CB 3.48Å; N279-Q283 WeakPolarHBondContact O-CG 3.25Å; N279-Q283 PolarHBondContact O-N 3.06Å; E280-Q283 PolarHBondContact O-N 3.25Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 3.44Å |
| 284 | T | 84.5 | Confident | 83.5 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 53% | 0.534 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -81.1 | -8.1 | -179 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | E280 A281 S286 | E280-T284 HydrophobicContact CG-CG2 4.24Å; E280-T284 WeakPolarHBondContact O-CB 3.49Å; E280-T284 VanDerWaalsContact O-CG2 3.31Å; E280-T284 WeakPolarHBondContact O-CG2 3.27Å; E280-T284 PolarHBondContact O-N 3.11Å; E280-T284 PolarHBondContact O-OG1 2.7Å; A281-T284 PolarHBondContact O-OG1 3.09Å; T284-S286 PolarHBondContact O-N 3.37Å |
| 285 | K | 79.6 | Confident | 83.1 | Confident | 137 Ų | 137 | 47.7 Ų | 47.7 | 60% | 0.596 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39.4 | -172.9 | -61.5 | -174.8 | 179.6 | -176.5 | 0 | 112.3 | A281 V282 Q283 G287 Y326 | A281-K285 WeakPolarHBondContact O-CA 3.35Å; A281-K285 PolarHBondContact O-N 3.05Å; V282-K285 PolarHBondContact O-N 3.2Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 3.44Å; K285-G287 PolarHBondContact O-N 2.75Å; K285-G287 VanDerWaalsContact O-N 3.16Å; K285-Y326 HydrophobicContact CB-CE2 4.25Å; K285-Y326 HydrophobicContact CG-CE2 4.35Å; K285-Y326 PolarHBondContact O-OH 3.46Å |
| 286 | S | 80 | Confident | 82.8 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | trans | -72 | 108.4 | 177.9 | -174.7 | 0 | 0 | 0 | 0 | 110 | E248 A281 T284 S288 G289 M290 | E248-S286 PolarHBondContact OE1-OG 2.7Å; A281-S286 PolarHBondContact O-N 2.94Å; A281-S286 VanDerWaalsContact O-N 3.09Å; T284-S286 PolarHBondContact O-N 3.37Å; S286-S288 VanDerWaalsContact C-N 3.32Å; S286-S288 PolarHBondContact O-N 3.29Å; S286-S288 PolarHBondContact OG-OG 2.71Å; S286-G289 PolarHBondContact O-N 2.97Å; S286-G289 PolarHBondContact OG-N 3.32Å; S286-M290 WeakPolarHBondContact O-CB 3.39Å; S286-M290 VanDerWaalsContact O-CG 3.28Å; S286-M290 WeakPolarHBondContact O-CG 3.29Å; S286-M290 PolarHBondContact O-N 3.46Å | ||
| 287 | G | 77.8 | Confident | 82.5 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.8 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K285 L291 | K285-G287 PolarHBondContact O-N 2.75Å; K285-G287 VanDerWaalsContact O-N 3.16Å; G287-L291 VanDerWaalsContact O-CG 3.27Å; G287-L291 WeakPolarHBondContact O-CG 3.45Å; G287-L291 PolarHBondContact O-N 3.17Å; G287-L291 VanDerWaalsContact O-N 3.09Å |
| 288 | S | 76.3 | Confident | 81.9 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.5 | -41.5 | 177.2 | 40.8 | 0 | 0 | 0 | 0 | 112.8 | E248 S286 L291 A292 | E248-S288 WeakPolarHBondContact OE1-CB 3.34Å; E248-S288 PolarHBondContact OE1-OG 3.13Å; E248-S288 WeakPolarHBondContact OE2-CB 3.39Å; E248-S288 PolarHBondContact OE2-OG 3.35Å; E248-S288 VanDerWaalsContact OE2-OG 3.05Å; S286-S288 VanDerWaalsContact C-N 3.32Å; S286-S288 PolarHBondContact O-N 3.29Å; S286-S288 PolarHBondContact OG-OG 2.71Å; S288-L291 PolarHBondContact O-N 2.97Å; S288-A292 PolarHBondContact O-N 3.42Å |
| 289 | G | 80.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E248 S286 A292 I293 | E248-G289 PolarHBondContact OE1-N 3.47Å; E248-G289 VanDerWaalsContact OE1-N 3.16Å; S286-G289 PolarHBondContact O-N 2.97Å; S286-G289 PolarHBondContact OG-N 3.32Å; G289-A292 PolarHBondContact O-N 3.05Å; G289-I293 VanDerWaalsContact O-CD1 3.3Å; G289-I293 WeakPolarHBondContact O-CD1 3.45Å; G289-I293 VanDerWaalsContact O-CG1 3.25Å; G289-I293 WeakPolarHBondContact O-CG1 3.18Å; G289-I293 PolarHBondContact O-N 3.47Å |
| 290 | M | 81.9 | Confident | 81.2 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.9 | -72.8 | 170.7 | 170.7 | 0 | 0 | 112.4 | S286 A292 I293 A294 L323 Y326 | S286-M290 WeakPolarHBondContact O-CB 3.39Å; S286-M290 VanDerWaalsContact O-CG 3.28Å; S286-M290 WeakPolarHBondContact O-CG 3.29Å; S286-M290 PolarHBondContact O-N 3.46Å; M290-A292 VanDerWaalsContact C-N 3.35Å; M290-I293 PolarHBondContact O-N 3.22Å; M290-A294 VanDerWaalsContact O-CB 3.28Å; M290-A294 WeakPolarHBondContact O-CB 3.37Å; M290-A294 PolarHBondContact O-N 2.91Å; M290-L323 HydrophobicContact CB-CD2 3.82Å; M290-L323 HydrophobicContact CG-CD2 4.09Å; M290-Y326 HydrophobicContact CE-CD2 3.7Å; M290-Y326 HydrophobicContact CE-CE2 3.56Å; M290-Y326 HydrophobicContact CE-CG 4.24Å; M290-Y326 HydrophobicContact SD-CD1 3.41Å; M290-Y326 WeakPolarHBondContact SD-CD1 3.36Å; M290-Y326 HydrophobicContact SD-CD2 3.5Å; M290-Y326 WeakPolarHBondContact SD-CD2 3.5Å; M290-Y326 HydrophobicContact SD-CE1 3.36Å; M290-Y326 WeakPolarHBondContact SD-CE1 3.43Å; M290-Y326 HydrophobicContact SD-CE2 3.45Å; M290-Y326 WeakPolarHBondContact SD-CE2 3.25Å; M290-Y326 HydrophobicContact SD-CG 3.47Å |
| 291 | L | 80 | Confident | 80.8 | Confident | 63 Ų | 63 | 34.1 Ų | 34.1 | 33% | 0.33 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.9 | -73 | 170 | 0 | 0 | 0 | 112.1 | G287 S288 A294 G295 T328 | G287-L291 VanDerWaalsContact O-CG 3.27Å; G287-L291 WeakPolarHBondContact O-CG 3.45Å; G287-L291 PolarHBondContact O-N 3.17Å; G287-L291 VanDerWaalsContact O-N 3.09Å; S288-L291 PolarHBondContact O-N 2.97Å; L291-A294 WeakPolarHBondContact O-CB 3.45Å; L291-A294 PolarHBondContact O-N 3.5Å; L291-G295 PolarHBondContact O-N 3.01Å; L291-T328 HydrophobicContact CG-CG2 4.47Å |
| 292 | A | 78.6 | Confident | 80.4 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F251 E252 S288 G289 M290 G295 A296 | F251-A292 HydrophobicContact CD1-CB 3.95Å; F251-A292 HydrophobicContact CE1-CB 4.16Å; E252-A292 HydrophobicContact CG-CB 4.29Å; S288-A292 PolarHBondContact O-N 3.42Å; G289-A292 PolarHBondContact O-N 3.05Å; M290-A292 VanDerWaalsContact C-N 3.35Å; A292-G295 PolarHBondContact O-N 3.38Å; A292-A296 WeakPolarHBondContact O-CB 3.48Å; A292-A296 PolarHBondContact O-N 3.49Å |
| 293 | I | 84.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.7 | -61.8 | 153.6 | 0 | 0 | 0 | 110.7 | F251 F277 A278 A281 G289 M290 G295 A296 L297 I319 L323 | F251-I293 HydrophobicContact CE1-CG1 4.35Å; F251-I293 HydrophobicContact CZ-CG1 4.08Å; F277-I293 HydrophobicContact CD1-CD1 4.33Å; F277-I293 HydrophobicContact CD1-CG1 4.11Å; F277-I293 HydrophobicContact CE1-CD1 4.29Å; F277-I293 HydrophobicContact CE1-CG1 4.03Å; A278-I293 VanDerWaalsContact CA-CD1 3.49Å; A278-I293 HydrophobicContact CB-CD1 3.83Å; A278-I293 HydrophobicContact CB-CG1 4.23Å; A281-I293 HydrophobicContact CB-CD1 3.61Å; G289-I293 VanDerWaalsContact O-CD1 3.3Å; G289-I293 WeakPolarHBondContact O-CD1 3.45Å; G289-I293 VanDerWaalsContact O-CG1 3.25Å; G289-I293 WeakPolarHBondContact O-CG1 3.18Å; G289-I293 PolarHBondContact O-N 3.47Å; M290-I293 PolarHBondContact O-N 3.22Å; I293-G295 VanDerWaalsContact C-N 3.34Å; I293-G295 PolarHBondContact O-N 3.44Å; I293-A296 CarbonylContact O-C 3.59Å; I293-A296 WeakPolarHBondContact O-CA 3.46Å; I293-A296 WeakPolarHBondContact O-CB 3.25Å; I293-A296 PolarHBondContact O-N 2.84Å; I293-L297 PolarHBondContact O-N 3.49Å; I293-I319 HydrophobicContact CG2-CG2 3.88Å; I293-L323 HydrophobicContact CG2-CD1 3.99Å |
| 294 | A | 79.8 | Confident | 79.5 | Confident | 18 Ų | 18 | 29.6 Ų | 29.6 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.3 | -47.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M290 L291 A296 L297 L323 M337 | M290-A294 VanDerWaalsContact O-CB 3.28Å; M290-A294 WeakPolarHBondContact O-CB 3.37Å; M290-A294 PolarHBondContact O-N 2.91Å; L291-A294 WeakPolarHBondContact O-CB 3.45Å; L291-A294 PolarHBondContact O-N 3.5Å; A294-A296 VanDerWaalsContact C-N 3.26Å; A294-A296 PolarHBondContact O-N 3.13Å; A294-L297 PolarHBondContact O-N 2.8Å; A294-L323 HydrophobicContact CB-CD1 4.34Å; A294-M337 HydrophobicContact CB-CE 3.46Å; A294-M337 VanDerWaalsContact CB-CE 3.46Å; A294-M337 HydrophobicContact CB-SD 3.53Å; A294-M337 VanDerWaalsContact CB-SD 3.53Å |
| 295 | G | 77.8 | Confident | 78.6 | Confident | 56 Ų | 56 | 28 Ų | 28 | 58% | 0.577 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -68.5 | -20.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L291 A292 I293 | L291-G295 PolarHBondContact O-N 3.01Å; A292-G295 PolarHBondContact O-N 3.38Å; I293-G295 VanDerWaalsContact C-N 3.34Å; I293-G295 PolarHBondContact O-N 3.44Å |
| 296 | A | 82 | Confident | 78.3 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -86.7 | -23.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | F251 V255 A292 I293 A294 S298 T299 L300 | F251-A296 HydrophobicContact CE1-CB 3.72Å; F251-A296 HydrophobicContact CZ-CB 3.85Å; V255-A296 HydrophobicContact CB-CB 4.2Å; V255-A296 HydrophobicContact CG1-CB 3.62Å; V255-A296 HydrophobicContact CG2-CB 3.6Å; A292-A296 WeakPolarHBondContact O-CB 3.48Å; A292-A296 PolarHBondContact O-N 3.49Å; I293-A296 CarbonylContact O-C 3.59Å; I293-A296 WeakPolarHBondContact O-CA 3.46Å; I293-A296 WeakPolarHBondContact O-CB 3.25Å; I293-A296 PolarHBondContact O-N 2.84Å; A294-A296 VanDerWaalsContact C-N 3.26Å; A294-A296 PolarHBondContact O-N 3.13Å; A296-S298 VanDerWaalsContact C-N 3.28Å; A296-S298 PolarHBondContact O-N 3.35Å; A296-T299 PolarHBondContact O-N 2.83Å; A296-L300 HydrophobicContact CB-CD1 4.23Å; A296-L300 WeakPolarHBondContact O-CG 3.45Å; A296-L300 PolarHBondContact O-N 2.98Å |
| 297 | L | 82.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.8 | -45.3 | -173.8 | -81.4 | 175.2 | 0 | 0 | 0 | 112.9 | I293 A294 T299 L300 I301 I316 I319 L323 M337 | I293-L297 PolarHBondContact O-N 3.49Å; A294-L297 PolarHBondContact O-N 2.8Å; L297-T299 PolarHBondContact O-N 3.11Å; L297-L300 WeakPolarHBondContact O-CB 3.44Å; L297-L300 PolarHBondContact O-N 3.21Å; L297-I301 WeakPolarHBondContact O-CD1 3.49Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 2.84Å; L297-I316 HydrophobicContact CD2-CG2 4.37Å; L297-I319 HydrophobicContact CD2-CG2 4.31Å; L297-L323 HydrophobicContact CD1-CD1 3.85Å; L297-M337 HydrophobicContact CD1-CG 4.48Å; L297-M337 HydrophobicContact CD1-SD 3.55Å; L297-M337 VanDerWaalsContact CD1-SD 3.55Å |
| 298 | S | 77.1 | Confident | 77.5 | Confident | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -41.1 | -62.7 | 168.4 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | A296 L300 I301 K302 E340 E342 | A296-S298 VanDerWaalsContact C-N 3.28Å; A296-S298 PolarHBondContact O-N 3.35Å; S298-L300 VanDerWaalsContact C-N 3.3Å; S298-L300 PolarHBondContact O-N 2.98Å; S298-I301 PolarHBondContact O-N 3.31Å; S298-K302 WeakPolarHBondContact O-CG 3.26Å; S298-K302 PolarHBondContact O-N 2.83Å; S298-K302 PolarHBondContact OG-NZ 2.9Å; S298-E340 WeakPolarHBondContact CA-OE2 3.25Å; S298-E340 VanDerWaalsContact CB-OE1 3.23Å; S298-E340 WeakPolarHBondContact CB-OE1 3.29Å; S298-E340 WeakPolarHBondContact CB-OE2 3.27Å; S298-E340 PolarHBondContact OG-OE1 2.82Å; S298-E340 VanDerWaalsContact OG-OE1 3.13Å; S298-E340 PolarHBondContact OG-OE2 3.17Å; S298-E342 WeakPolarHBondContact CA-OE2 3.38Å; S298-E342 PolarHBondContact OG-OE2 3.28Å; S298-E342 VanDerWaalsContact OG-OE2 3.12Å |
| 299 | T | 80.7 | Confident | 77.5 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 17% | 0.172 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68 | -36.3 | -172.4 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | V255 L258 P259 A296 L297 K302 V303 | V255-T299 HydrophobicContact CG1-CG2 4.17Å; V255-T299 WeakPolarHBondContact O-CG2 3.47Å; L258-T299 HydrophobicContact CB-CG2 4.37Å; L258-T299 HydrophobicContact CD1-CG2 4.42Å; P259-T299 HydrophobicContact CG-CG2 3.85Å; A296-T299 PolarHBondContact O-N 2.83Å; L297-T299 PolarHBondContact O-N 3.11Å; T299-K302 PolarHBondContact O-N 3.43Å; T299-V303 VanDerWaalsContact O-CG2 3.25Å; T299-V303 WeakPolarHBondContact O-CG2 3.37Å; T299-V303 PolarHBondContact O-N 2.69Å |
| 300 | L | 80.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 173.8 | -67.1 | 172.3 | 0 | 0 | 0 | 111.9 | L258 M271 I274 A296 L297 S298 V303 L304 I316 | L258-L300 HydrophobicContact CD1-CD2 3.65Å; M271-L300 HydrophobicContact SD-CD2 4.1Å; I274-L300 HydrophobicContact CD1-CD2 3.66Å; I274-L300 HydrophobicContact CG2-CD1 3.94Å; I274-L300 HydrophobicContact CG2-CD2 3.89Å; A296-L300 HydrophobicContact CB-CD1 4.23Å; A296-L300 WeakPolarHBondContact O-CG 3.45Å; A296-L300 PolarHBondContact O-N 2.98Å; L297-L300 WeakPolarHBondContact O-CB 3.44Å; L297-L300 PolarHBondContact O-N 3.21Å; S298-L300 VanDerWaalsContact C-N 3.3Å; S298-L300 PolarHBondContact O-N 2.98Å; L300-V303 PolarHBondContact O-N 3.07Å; L300-L304 WeakPolarHBondContact O-CB 2.96Å; L300-L304 VanDerWaalsContact O-CG 3.3Å; L300-L304 WeakPolarHBondContact O-CG 3.07Å; L300-L304 PolarHBondContact O-N 3.43Å; L300-I316 HydrophobicContact CB-CD1 4.37Å |
| 301 | I | 78.4 | Confident | 77.7 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 178.8 | -64 | 158.3 | 0 | 0 | 0 | 110.5 | L297 S298 V303 L304 T305 I316 E342 Y343 L346 | L297-I301 WeakPolarHBondContact O-CD1 3.49Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 2.84Å; S298-I301 PolarHBondContact O-N 3.31Å; I301-V303 VanDerWaalsContact C-N 3.29Å; I301-V303 PolarHBondContact O-N 2.71Å; I301-L304 PolarHBondContact O-N 3.02Å; I301-T305 WeakPolarHBondContact O-CB 3.42Å; I301-T305 PolarHBondContact O-N 3.37Å; I301-T305 PolarHBondContact O-OG1 2.88Å; I301-I316 HydrophobicContact CG1-CD1 4.05Å; I301-I316 HydrophobicContact CG1-CG2 4.3Å; I301-E342 HydrophobicContact CB-CB 4.16Å; I301-E342 HydrophobicContact CG2-CB 3.62Å; I301-Y343 HydrophobicContact CD1-CD1 3.89Å; I301-Y343 HydrophobicContact CD1-CD2 3.9Å; I301-Y343 HydrophobicContact CD1-CE1 3.45Å; I301-Y343 VanDerWaalsContact CD1-CE1 3.45Å; I301-Y343 HydrophobicContact CD1-CE2 3.44Å; I301-Y343 VanDerWaalsContact CD1-CE2 3.44Å; I301-Y343 HydrophobicContact CD1-CG 4.11Å; I301-Y343 HydrophobicContact CG1-CE1 4.33Å; I301-L346 HydrophobicContact CG1-CD2 4.31Å; I301-L346 HydrophobicContact CG2-CB 3.9Å; I301-L346 HydrophobicContact CG2-CD2 3.86Å; I301-L346 HydrophobicContact CG2-CG 4.37Å |
| 302 | K | 78.8 | Confident | 77.8 | Confident | 91 Ų | 91 | 45 Ų | 45 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.7 | -45.5 | 175 | -69.6 | -178.3 | 178.3 | 74.8 | 0 | 112.1 | S298 T299 E340 E342 | S298-K302 WeakPolarHBondContact O-CG 3.26Å; S298-K302 PolarHBondContact O-N 2.83Å; S298-K302 PolarHBondContact OG-NZ 2.9Å; T299-K302 PolarHBondContact O-N 3.43Å; K302-E340 IonicContact NZ-OE2 3.13Å; K302-E342 VanDerWaalsContact CE-CD 3.4Å; K302-E342 WeakPolarHBondContact CE-OE1 3.48Å; K302-E342 WeakPolarHBondContact CE-OE2 3.27Å; K302-E342 HydrophobicContact CG-CG 3.84Å; K302-E342 WeakPolarHBondContact CG-OE2 3.29Å; K302-E342 IonicContact NZ-OE1 3Å; K302-E342 PolarHBondContact NZ-OE1 3.23Å; K302-E342 IonicContact NZ-OE2 2.76Å; K302-E342 PolarHBondContact NZ-OE2 3.31Å |
| 303 | V | 76.6 | Confident | 78 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.8 | -41.7 | -177.2 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L258 C266 T299 L300 I301 T305 K306 | L258-V303 HydrophobicContact CB-CG2 4.09Å; C266-V303 HydrophobicContact CB-CG1 4.47Å; T299-V303 VanDerWaalsContact O-CG2 3.25Å; T299-V303 WeakPolarHBondContact O-CG2 3.37Å; T299-V303 PolarHBondContact O-N 2.69Å; L300-V303 PolarHBondContact O-N 3.07Å; I301-V303 VanDerWaalsContact C-N 3.29Å; I301-V303 PolarHBondContact O-N 2.71Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 3.35Å; V303-K306 VanDerWaalsContact O-CB 3.3Å; V303-K306 WeakPolarHBondContact O-CB 3.36Å; V303-K306 PolarHBondContact O-N 3.28Å; V303-K306 VanDerWaalsContact O-N 3.13Å |
| 304 | L | 71.1 | Confident | 78 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70 | -26.2 | 177 | -68.2 | 169.5 | 0 | 0 | 0 | 113.3 | M271 L300 I301 K306 S307 R312 I316 L346 | M271-L304 HydrophobicContact CE-CD1 4.42Å; M271-L304 HydrophobicContact CE-CD2 4.35Å; M271-L304 HydrophobicContact SD-CD2 4.47Å; L300-L304 WeakPolarHBondContact O-CB 2.96Å; L300-L304 VanDerWaalsContact O-CG 3.3Å; L300-L304 WeakPolarHBondContact O-CG 3.07Å; L300-L304 PolarHBondContact O-N 3.43Å; I301-L304 PolarHBondContact O-N 3.02Å; L304-K306 PolarHBondContact O-N 2.93Å; L304-S307 CarbonylContact O-C 2.99Å; L304-S307 PolarHBondContact O-N 3.49Å; L304-S307 VanDerWaalsContact O-O 3.08Å; L304-R312 HydrophobicContact CD1-CB 4.33Å; L304-R312 HydrophobicContact CD2-CB 4.16Å; L304-I316 HydrophobicContact CD1-CD1 3.17Å; L304-I316 HydrophobicContact CD1-CG1 4.18Å; L304-L346 HydrophobicContact CB-CD1 4.42Å |
| 305 | T | 67.3 | Low | 78.3 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.2 | 172.2 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | I301 V303 K345 | I301-T305 WeakPolarHBondContact O-CB 3.42Å; I301-T305 PolarHBondContact O-N 3.37Å; I301-T305 PolarHBondContact O-OG1 2.88Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 3.35Å; T305-K345 HydrophobicContact CG2-CB 4.2Å |
| 306 | K | 72.7 | Confident | 78.6 | Confident | 135 Ų | 135 | 47.5 Ų | 47.5 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27.9 | 174.3 | -59.6 | -178.3 | 178.8 | 178.5 | 0 | 113 | V303 L304 | V303-K306 VanDerWaalsContact O-CB 3.3Å; V303-K306 WeakPolarHBondContact O-CB 3.36Å; V303-K306 PolarHBondContact O-N 3.28Å; V303-K306 VanDerWaalsContact O-N 3.13Å; L304-K306 PolarHBondContact O-N 2.93Å |
| 307 | S | 69.4 | Low | 78.6 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -148.6 | 89.5 | 174.7 | 69.9 | 0 | 0 | 0 | 0 | 110.2 | Q263 L304 D309 | Q263-S307 PolarHBondContact NE2-OG 3.34Å; L304-S307 CarbonylContact O-C 2.99Å; L304-S307 PolarHBondContact O-N 3.49Å; L304-S307 VanDerWaalsContact O-O 3.08Å; S307-D309 PolarHBondContact O-N 2.97Å |
| 308 | P | 70.6 | Confident | 78.7 | Confident | 94 Ų | 94 | 50.8 Ų | 50.8 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | trans | -66.4 | 127.5 | -177.8 | 26.1 | -33 | 0 | 0 | 0 | 110.7 | I313 | P308-I313 HydrophobicContact CB-CD1 4.07Š| ||
| 309 | D | 77.8 | Confident | 79.1 | Confident | 59 Ų | 59 | 50.1 Ų | 50.1 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | trans | -123.1 | 117.7 | 170.2 | 169.4 | 8.6 | 0 | 0 | 0 | 107.6 | S307 K311 R312 I313 | S307-D309 PolarHBondContact O-N 2.97Å; D309-K311 PolarHBondContact O-N 2.93Å; D309-K311 VanDerWaalsContact O-N 3.15Å; D309-K311 PolarHBondContact OD1-N 3.12Å; D309-R312 HydrophobicContact CB-CB 4.25Å; D309-R312 HydrophobicContact CB-CG 4.28Å; D309-R312 PolarHBondContact O-N 3.3Å; D309-R312 WeakPolarHBondContact OD2-CG 3.29Å; D309-R312 IonicContact OD2-NE 3.65Å; D309-I313 WeakPolarHBondContact O-CG1 3.47Å; D309-I313 PolarHBondContact O-N 2.83Å | ||
| 310 | D | 80 | Confident | 79.1 | Confident | 125 Ų | 125 | 49 Ų | 49 | 67% | 0.668 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -52.4 | -38.4 | -178 | -72.2 | -13.5 | 0 | 0 | 0 | 112.2 | R312 I313 Q314 | D310-R312 PolarHBondContact O-N 3.44Å; D310-I313 PolarHBondContact O-N 3.13Å; D310-Q314 WeakPolarHBondContact O-CG 3.47Å; D310-Q314 PolarHBondContact O-N 3.02Å |
| 311 | K | 85 | Confident | 79.2 | Confident | 171 Ų | 171 | 53.5 Ų | 53.5 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 180 | -69 | -178.7 | -179.3 | 175.4 | 0 | 111.7 | D309 Q314 W315 | D309-K311 PolarHBondContact O-N 2.93Å; D309-K311 VanDerWaalsContact O-N 3.15Å; D309-K311 PolarHBondContact OD1-N 3.12Å; K311-Q314 PolarHBondContact O-N 3.4Å; K311-W315 PolarHBondContact O-N 3Å |
| 312 | R | 83.2 | Confident | 79.3 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.8 | -35.6 | 178.8 | -70.3 | 176.3 | 176.7 | 169.5 | 2.3 | 111.8 | S267 L304 D309 D310 W315 I316 | S267-R312 PolarHBondContact O-NH2 3.45Å; S267-R312 PolarHBondContact OG-NH1 2.83Å; S267-R312 VanDerWaalsContact OG-NH1 3.15Å; L304-R312 HydrophobicContact CD1-CB 4.33Å; L304-R312 HydrophobicContact CD2-CB 4.16Å; D309-R312 HydrophobicContact CB-CB 4.25Å; D309-R312 HydrophobicContact CB-CG 4.28Å; D309-R312 PolarHBondContact O-N 3.3Å; D309-R312 WeakPolarHBondContact OD2-CG 3.29Å; D309-R312 IonicContact OD2-NE 3.65Å; D310-R312 PolarHBondContact O-N 3.44Å; R312-W315 PolarHBondContact O-N 3.27Å; R312-I316 PolarHBondContact O-N 2.71Å |
| 313 | I | 82.1 | Confident | 79.4 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.9 | -66.3 | 171.7 | 0 | 0 | 0 | 109.8 | P308 D309 D310 W315 I316 L317 L346 L347 | P308-I313 HydrophobicContact CB-CD1 4.07Å; D309-I313 WeakPolarHBondContact O-CG1 3.47Å; D309-I313 PolarHBondContact O-N 2.83Å; D310-I313 PolarHBondContact O-N 3.13Å; I313-W315 VanDerWaalsContact C-N 3.3Å; I313-W315 PolarHBondContact O-N 3.45Å; I313-I316 PolarHBondContact O-N 3.11Å; I313-L317 HydrophobicContact CG2-CD1 4.47Å; I313-L317 WeakPolarHBondContact O-CG 3.26Å; I313-L317 PolarHBondContact O-N 3.36Å; I313-L346 HydrophobicContact CD1-CD1 4.01Å; I313-L346 HydrophobicContact CD1-CG 4.3Å; I313-L346 HydrophobicContact CG1-CD1 3.96Å; I313-L346 HydrophobicContact CG1-CD2 4.2Å; I313-L346 HydrophobicContact CG1-CG 4.12Å; I313-L347 HydrophobicContact CG2-CD2 3.45Å; I313-L347 VanDerWaalsContact CG2-CD2 3.45Å |
| 314 | Q | 84.3 | Confident | 79.3 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 174.9 | -68.2 | -51 | -48.4 | 0 | 0 | 112.4 | D310 K311 L317 M318 E351 | D310-Q314 WeakPolarHBondContact O-CG 3.47Å; D310-Q314 PolarHBondContact O-N 3.02Å; K311-Q314 PolarHBondContact O-N 3.4Å; Q314-L317 PolarHBondContact O-N 3.17Å; Q314-M318 WeakPolarHBondContact O-CB 3.49Å; Q314-M318 PolarHBondContact O-N 2.91Å; Q314-E351 PolarHBondContact NE2-OE1 3.2Å |
| 315 | W | 85.9 | Confident | 79.3 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.3 | 173.6 | 81 | 0 | 0 | 0 | 112.3 | M271 I274 E275 A278 K311 R312 I313 L317 M318 I319 | M271-W315 HydrophobicContact CE-CZ3 4.17Å; I274-W315 HydrophobicContact CG2-CH2 4.03Å; E275-W315 HydrophobicContact CB-CZ2 4.24Å; E275-W315 HydrophobicContact CG-CD2 4.02Å; E275-W315 HydrophobicContact CG-CE3 4.31Å; E275-W315 HydrophobicContact CG-CH2 4.15Å; E275-W315 HydrophobicContact CG-CZ2 3.81Å; E275-W315 HydrophobicContact CG-CZ3 4.38Å; A278-W315 HydrophobicContact CB-CH2 4.38Å; A278-W315 HydrophobicContact CB-CZ2 3.72Å; K311-W315 PolarHBondContact O-N 3Å; R312-W315 PolarHBondContact O-N 3.27Å; I313-W315 VanDerWaalsContact C-N 3.3Å; I313-W315 PolarHBondContact O-N 3.45Å; W315-L317 PolarHBondContact O-N 2.99Å; W315-M318 PolarHBondContact O-N 3.47Å; W315-I319 HydrophobicContact CD2-CG1 4.19Å; W315-I319 HydrophobicContact CH2-CG1 4.48Å; W315-I319 HydrophobicContact CZ2-CD1 4.36Å; W315-I319 HydrophobicContact CZ2-CG1 3.77Å; W315-I319 WeakPolarHBondContact O-CG1 3.48Å; W315-I319 PolarHBondContact O-N 3.2Å |
| 316 | I | 83.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 174.7 | -76.2 | -173 | 0 | 0 | 0 | 111.5 | L297 L300 I301 L304 R312 I313 M318 I319 T320 Y343 | L297-I316 HydrophobicContact CD2-CG2 4.37Å; L300-I316 HydrophobicContact CB-CD1 4.37Å; I301-I316 HydrophobicContact CG1-CD1 4.05Å; I301-I316 HydrophobicContact CG1-CG2 4.3Å; L304-I316 HydrophobicContact CD1-CD1 3.17Å; L304-I316 HydrophobicContact CD1-CG1 4.18Å; R312-I316 PolarHBondContact O-N 2.71Å; I313-I316 PolarHBondContact O-N 3.11Å; I316-M318 VanDerWaalsContact C-N 3.35Å; I316-M318 PolarHBondContact O-N 3.34Å; I316-I319 PolarHBondContact O-N 3.3Å; I316-T320 WeakPolarHBondContact O-CB 3.4Å; I316-T320 PolarHBondContact O-N 3.18Å; I316-T320 PolarHBondContact O-OG1 2.89Å; I316-Y343 HydrophobicContact CG2-CE1 3.97Å |
| 317 | L | 83.2 | Confident | 78.8 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 176.8 | -72.5 | 176.9 | 0 | 0 | 0 | 111.1 | I313 Q314 W315 I319 T320 E321 L347 E351 L356 | I313-L317 HydrophobicContact CG2-CD1 4.47Å; I313-L317 WeakPolarHBondContact O-CG 3.26Å; I313-L317 PolarHBondContact O-N 3.36Å; Q314-L317 PolarHBondContact O-N 3.17Å; W315-L317 PolarHBondContact O-N 2.99Å; L317-I319 PolarHBondContact O-N 2.89Å; L317-T320 PolarHBondContact O-N 3.19Å; L317-E321 WeakPolarHBondContact O-CB 3.16Å; L317-E321 PolarHBondContact O-N 3.43Å; L317-L347 HydrophobicContact CD1-CD2 4Å; L317-L347 HydrophobicContact CD2-CD1 3.64Å; L317-L347 HydrophobicContact CD2-CD2 4.24Å; L317-L347 HydrophobicContact CG-CD2 4.34Å; L317-E351 HydrophobicContact CD1-CG 4.31Å; L317-E351 WeakPolarHBondContact CD1-OE1 3.48Å; L317-L356 HydrophobicContact CD2-CD1 3.95Å; L317-L356 HydrophobicContact CD2-CD2 3.84Å; L317-L356 HydrophobicContact CD2-CG 3.77Å |
| 318 | M | 85 | Confident | 78.1 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.8 | -178.9 | -160.9 | 60.3 | 0 | 0 | 112 | Q314 W315 I316 K322 | Q314-M318 WeakPolarHBondContact O-CB 3.49Å; Q314-M318 PolarHBondContact O-N 2.91Å; W315-M318 PolarHBondContact O-N 3.47Å; I316-M318 VanDerWaalsContact C-N 3.35Å; I316-M318 PolarHBondContact O-N 3.34Å; M318-K322 HydrophobicContact CG-CD 4.37Å; M318-K322 WeakPolarHBondContact O-CG 3.44Å; M318-K322 PolarHBondContact O-N 3.48Å; M318-K322 PolarHBondContact SD-NZ 3.49Å; M318-K322 VanDerWaalsContact SD-NZ 3.41Å |
| 319 | I | 83.8 | Confident | 77.2 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 177.8 | -72.7 | -64 | 0 | 0 | 0 | 110.9 | A278 V282 I293 L297 W315 I316 L317 E321 K322 L323 | A278-I319 HydrophobicContact CB-CD1 4.37Å; V282-I319 HydrophobicContact CG2-CD1 4.15Å; I293-I319 HydrophobicContact CG2-CG2 3.88Å; L297-I319 HydrophobicContact CD2-CG2 4.31Å; W315-I319 HydrophobicContact CD2-CG1 4.19Å; W315-I319 HydrophobicContact CH2-CG1 4.48Å; W315-I319 HydrophobicContact CZ2-CD1 4.36Å; W315-I319 HydrophobicContact CZ2-CG1 3.77Å; W315-I319 WeakPolarHBondContact O-CG1 3.48Å; W315-I319 PolarHBondContact O-N 3.2Å; I316-I319 PolarHBondContact O-N 3.3Å; L317-I319 PolarHBondContact O-N 2.89Å; I319-E321 VanDerWaalsContact C-N 3.35Å; I319-E321 PolarHBondContact O-N 3.15Å; I319-K322 PolarHBondContact O-N 2.8Å; I319-L323 HydrophobicContact CG2-CD1 3.69Å; I319-L323 HydrophobicContact CG2-CG 4.21Å; I319-L323 WeakPolarHBondContact O-CB 3.49Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.32Å; I319-L323 PolarHBondContact O-N 2.99Å |
| 320 | T | 81.9 | Confident | 75.7 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | I316 L317 L323 S324 M337 Y343 L356 | I316-T320 WeakPolarHBondContact O-CB 3.4Å; I316-T320 PolarHBondContact O-N 3.18Å; I316-T320 PolarHBondContact O-OG1 2.89Å; L317-T320 PolarHBondContact O-N 3.19Å; T320-L323 PolarHBondContact O-N 2.94Å; T320-S324 WeakPolarHBondContact O-CB 3.45Å; T320-S324 PolarHBondContact O-N 3.31Å; T320-M337 HydrophobicContact CG2-CB 4.36Å; T320-Y343 PolarHBondContact OG1-OH 2.65Å; T320-L356 HydrophobicContact CG2-CD2 4.1Å |
| 321 | E | 81.4 | Confident | 73.9 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58 | -52.1 | 173.4 | -176.8 | -179.5 | -172.3 | 0 | 0 | 111.1 | L317 I319 L323 S324 F325 I359 | L317-E321 WeakPolarHBondContact O-CB 3.16Å; L317-E321 PolarHBondContact O-N 3.43Å; I319-E321 VanDerWaalsContact C-N 3.35Å; I319-E321 PolarHBondContact O-N 3.15Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.38Å; E321-S324 PolarHBondContact O-N 2.97Å; E321-S324 VanDerWaalsContact O-N 3.13Å; E321-S324 PolarHBondContact O-OG 3.37Å; E321-F325 HydrophobicContact CG-CD2 4.14Å; E321-F325 HydrophobicContact CG-CE2 3.65Å; E321-F325 WeakPolarHBondContact O-CD2 3.41Å; E321-F325 PolarHBondContact O-N 2.69Å; E321-I359 HydrophobicContact CB-CD1 3.84Å; E321-I359 HydrophobicContact CG-CD1 3.99Å |
| 322 | K | 81.1 | Confident | 71.8 | Confident | 89 Ų | 89 | 68.8 Ų | 68.8 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 179.2 | -73.2 | 177.3 | -177.2 | 174.1 | 0 | 113.2 | V282 M318 I319 | V282-K322 HydrophobicContact CG1-CD 3.96Å; M318-K322 HydrophobicContact CG-CD 4.37Å; M318-K322 WeakPolarHBondContact O-CG 3.44Å; M318-K322 PolarHBondContact O-N 3.48Å; M318-K322 PolarHBondContact SD-NZ 3.49Å; M318-K322 VanDerWaalsContact SD-NZ 3.41Å; I319-K322 PolarHBondContact O-N 2.8Å |
| 323 | L | 80.5 | Confident | 69.8 | Low | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 177.1 | -71.2 | 172.2 | 0 | 0 | 0 | 111.7 | M290 I293 A294 L297 I319 T320 E321 F325 Y326 M337 | M290-L323 HydrophobicContact CB-CD2 3.82Å; M290-L323 HydrophobicContact CG-CD2 4.09Å; I293-L323 HydrophobicContact CG2-CD1 3.99Å; A294-L323 HydrophobicContact CB-CD1 4.34Å; L297-L323 HydrophobicContact CD1-CD1 3.85Å; I319-L323 HydrophobicContact CG2-CD1 3.69Å; I319-L323 HydrophobicContact CG2-CG 4.21Å; I319-L323 WeakPolarHBondContact O-CB 3.49Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.32Å; I319-L323 PolarHBondContact O-N 2.99Å; T320-L323 PolarHBondContact O-N 2.94Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.38Å; L323-F325 PolarHBondContact O-N 2.94Å; L323-Y326 PolarHBondContact O-N 2.86Å; L323-M337 HydrophobicContact CD1-SD 4.45Å |
| 324 | S | 74.4 | Confident | 67.9 | Low | 29 Ų | 29 | 75.1 Ų | 75.1 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -28.2 | 178 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | T320 E321 Y326 I359 | T320-S324 WeakPolarHBondContact O-CB 3.45Å; T320-S324 PolarHBondContact O-N 3.31Å; E321-S324 PolarHBondContact O-N 2.97Å; E321-S324 VanDerWaalsContact O-N 3.13Å; E321-S324 PolarHBondContact O-OG 3.37Å; S324-Y326 VanDerWaalsContact C-N 3.34Å; S324-I359 WeakPolarHBondContact OG-CG2 3.3Å |
| 325 | F | 71.4 | Confident | 66.2 | Low | 126 Ų | 126 | 75.8 Ų | 75.8 | 55% | 0.553 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6 | 174 | -69.7 | -67.1 | 0 | 0 | 0 | 113.8 | E321 L323 | E321-F325 HydrophobicContact CG-CD2 4.14Å; E321-F325 HydrophobicContact CG-CE2 3.65Å; E321-F325 WeakPolarHBondContact O-CD2 3.41Å; E321-F325 PolarHBondContact O-N 2.69Å; L323-F325 PolarHBondContact O-N 2.94Å |
| 326 | Y | 69.2 | Low | 64.4 | Low | 83 Ų | 83 | 75.1 Ų | 75.1 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | trans | -98.2 | 103 | -176.1 | -154.5 | -88.4 | 0 | 0 | 0 | 111.2 | K285 M290 L323 S324 T328 | K285-Y326 HydrophobicContact CB-CE2 4.25Å; K285-Y326 HydrophobicContact CG-CE2 4.35Å; K285-Y326 PolarHBondContact O-OH 3.46Å; M290-Y326 HydrophobicContact CE-CD2 3.7Å; M290-Y326 HydrophobicContact CE-CE2 3.56Å; M290-Y326 HydrophobicContact CE-CG 4.24Å; M290-Y326 HydrophobicContact SD-CD1 3.41Å; M290-Y326 WeakPolarHBondContact SD-CD1 3.36Å; M290-Y326 HydrophobicContact SD-CD2 3.5Å; M290-Y326 WeakPolarHBondContact SD-CD2 3.5Å; M290-Y326 HydrophobicContact SD-CE1 3.36Å; M290-Y326 WeakPolarHBondContact SD-CE1 3.43Å; M290-Y326 HydrophobicContact SD-CE2 3.45Å; M290-Y326 WeakPolarHBondContact SD-CE2 3.25Å; M290-Y326 HydrophobicContact SD-CG 3.47Å; L323-Y326 PolarHBondContact O-N 2.86Å; S324-Y326 VanDerWaalsContact C-N 3.34Å; Y326-T328 HydrophobicContact CD1-CG2 4.17Å; Y326-T328 HydrophobicContact CE1-CG2 4.21Å | ||
| 327 | G | 61.1 | Low | 62.9 | Low | 71 Ų | 71 | 77 Ų | 77 | 73% | 0.732 | 40% | 0.399 | S | S | * | . | trans | -84.2 | 133.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 328 | T | 55 | Low | 61.4 | Low | 42 Ų | 42 | 77 Ų | 77 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | trans | -103.9 | 139 | 167.8 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | L291 Y326 T330 | L291-T328 HydrophobicContact CG-CG2 4.47Å; Y326-T328 HydrophobicContact CD1-CG2 4.17Å; Y326-T328 HydrophobicContact CE1-CG2 4.21Å; T328-T330 WeakPolarHBondContact CB-OG1 3.21Å; T328-T330 PolarHBondContact O-N 3.44Å; T328-T330 VanDerWaalsContact O-N 3.11Å; T328-T330 PolarHBondContact OG1-OG1 2.9Å; T328-T330 VanDerWaalsContact OG1-OG1 3.14Å | ||
| 329 | D | 51.5 | Low | 59.8 | Low | 168 Ų | 168 | 75.3 Ų | 75.3 | 90% | 0.898 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -63.3 | -14 | 172 | -69 | -38.2 | 0 | 0 | 0 | 113.4 | K331 | D329-K331 PolarHBondContact O-N 3.47Š|
| 330 | T | 46.4 | Very low | 58.4 | Low | 88 Ų | 88 | 78.8 Ų | 78.8 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | trans | -78.3 | 92.5 | -177.3 | 48 | 0 | 0 | 0 | 0 | 111.3 | T328 K332 | T328-T330 WeakPolarHBondContact CB-OG1 3.21Å; T328-T330 PolarHBondContact O-N 3.44Å; T328-T330 VanDerWaalsContact O-N 3.11Å; T328-T330 PolarHBondContact OG1-OG1 2.9Å; T328-T330 VanDerWaalsContact OG1-OG1 3.14Å; T330-K332 PolarHBondContact O-N 2.96Å | ||
| 331 | K | 41.9 | Very low | 56.9 | Low | 204 Ų | 204 | 83 Ų | 83 | 89% | 0.887 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 27.5 | -177.4 | -70.1 | -172.6 | 168.8 | -177.5 | 0 | 118.9 | D329 | D329-K331 PolarHBondContact O-N 3.47Š|
| 332 | K | 41 | Very low | 56.2 | Low | 182 Ų | 182 | 79.8 Ų | 79.8 | 79% | 0.791 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | -24.2 | -171.2 | -70.9 | -167.8 | 177 | -177.9 | 0 | 119.5 | T330 | T330-K332 PolarHBondContact O-N 2.96Š|
| 333 | D | 40.1 | Very low | 55.6 | Low | 124 Ų | 124 | 75.8 Ų | 75.8 | 66% | 0.663 | 40% | 0.397 | S | S | * | . | trans | -134.2 | 47.2 | -173.2 | -59.2 | -50.4 | 0 | 0 | 0 | 112.8 | D335 | D333-D335 PolarHBondContact O-N 3.26Š| ||
| 334 | T | 43.7 | Very low | 54.9 | Low | 53 Ų | 53 | 77 Ų | 77 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | trans | -80 | 71.8 | 164 | 53.7 | 0 | 0 | 0 | 0 | 108.6 | C336 Q374 | T334-C336 PolarHBondContact O-N 3.26Å; T334-Q374 VanDerWaalsContact O-CG 3.28Å; T334-Q374 WeakPolarHBondContact O-CG 3.47Å | ||
| 335 | D | 47 | Very low | 54.8 | Low | 114 Ų | 114 | 82.6 Ų | 82.6 | 61% | 0.61 | 43% | 0.425 | S | S | * | . | trans | -63.2 | 116.5 | 155 | -81.3 | -25.7 | 0 | 0 | 0 | 105.8 | D333 M337 | D333-D335 PolarHBondContact O-N 3.26Å; D335-M337 WeakPolarHBondContact O-CE 3.49Å; D335-M337 PolarHBondContact O-N 3.41Å | ||
| 336 | C | 49.2 | Very low | 54.8 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 8% | 0.081 | 40% | 0.404 | C | S | . | . | trans | -60.5 | 126.8 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | T334 I338 N339 Q374 | T334-C336 PolarHBondContact O-N 3.26Å; C336-I338 PolarHBondContact O-N 2.97Å; C336-N339 PolarHBondContact N-ND2 3.03Å; C336-N339 VanDerWaalsContact O-CB 3.27Å; C336-N339 WeakPolarHBondContact O-CB 3.27Å; C336-N339 PolarHBondContact O-N 3.33Å; C336-Q374 HydrophobicContact CB-CB 3.36Å; C336-Q374 HydrophobicContact CB-CG 4.47Å | ||
| 337 | M | 52.8 | Low | 55.3 | Low | 40 Ų | 40 | 73.7 Ų | 73.7 | 20% | 0.197 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -54.1 | -24 | -178.8 | -58.2 | -69.9 | 90.4 | 0 | 0 | 112.6 | A294 L297 T320 L323 D335 Y343 | A294-M337 HydrophobicContact CB-CE 3.46Å; A294-M337 VanDerWaalsContact CB-CE 3.46Å; A294-M337 HydrophobicContact CB-SD 3.53Å; A294-M337 VanDerWaalsContact CB-SD 3.53Å; L297-M337 HydrophobicContact CD1-CG 4.48Å; L297-M337 HydrophobicContact CD1-SD 3.55Å; L297-M337 VanDerWaalsContact CD1-SD 3.55Å; T320-M337 HydrophobicContact CG2-CB 4.36Å; L323-M337 HydrophobicContact CD1-SD 4.45Å; D335-M337 WeakPolarHBondContact O-CE 3.49Å; D335-M337 PolarHBondContact O-N 3.41Å; M337-Y343 VanDerWaalsContact O-CE2 3.31Å; M337-Y343 WeakPolarHBondContact O-CE2 3.49Å |
| 338 | I | 51.6 | Low | 56.4 | Low | 10 Ų | 10 | 74.2 Ų | 74.2 | 5% | 0.051 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -89.1 | -8.3 | -176.4 | -57.1 | 171.8 | 0 | 0 | 0 | 112.2 | C336 E340 Y360 L363 A378 V382 | C336-I338 PolarHBondContact O-N 2.97Å; I338-E340 PolarHBondContact O-N 3.25Å; I338-Y360 HydrophobicContact CB-CD2 4.46Å; I338-Y360 HydrophobicContact CD1-CD2 3.7Å; I338-Y360 HydrophobicContact CD1-CG 4.23Å; I338-Y360 HydrophobicContact CG2-CD2 4Å; I338-Y360 HydrophobicContact CG2-CE2 4.41Å; I338-L363 HydrophobicContact CD1-CD1 3.66Å; I338-A378 HydrophobicContact CG2-CB 4.38Å; I338-V382 HydrophobicContact CG2-CG2 3.96Å |
| 339 | N | 50.9 | Low | 57.8 | Low | 31 Ų | 31 | 74.6 Ų | 74.6 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -61.9 | -16.2 | -179.5 | -78.3 | -17.4 | 0 | 0 | 0 | 113.7 | C336 Q374 A378 I381 | C336-N339 PolarHBondContact N-ND2 3.03Å; C336-N339 VanDerWaalsContact O-CB 3.27Å; C336-N339 WeakPolarHBondContact O-CB 3.27Å; C336-N339 PolarHBondContact O-N 3.33Å; N339-Q374 PolarHBondContact ND2-OE1 3.42Å; N339-Q374 PolarHBondContact OD1-O 3.23Å; N339-A378 WeakPolarHBondContact OD1-CB 3.42Å; N339-A378 PolarHBondContact OD1-N 3.32Å; N339-I381 WeakPolarHBondContact O-CD1 3.05Å |
| 340 | E | 54.3 | Low | 59.5 | Low | 73 Ų | 73 | 70.3 Ų | 70.3 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | trans | -93.4 | 124.8 | -174.1 | -65.5 | -145.2 | -178.7 | 0 | 0 | 113.3 | S298 K302 I338 E342 | S298-E340 WeakPolarHBondContact CA-OE2 3.25Å; S298-E340 VanDerWaalsContact CB-OE1 3.23Å; S298-E340 WeakPolarHBondContact CB-OE1 3.29Å; S298-E340 WeakPolarHBondContact CB-OE2 3.27Å; S298-E340 PolarHBondContact OG-OE1 2.82Å; S298-E340 VanDerWaalsContact OG-OE1 3.13Å; S298-E340 PolarHBondContact OG-OE2 3.17Å; K302-E340 IonicContact NZ-OE2 3.13Å; I338-E340 PolarHBondContact O-N 3.25Å; E340-E342 PolarHBondContact O-N 2.93Å | ||
| 341 | I | 51.6 | Low | 61.3 | Low | 93 Ų | 93 | 68.5 Ų | 68.5 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -16.4 | 173.9 | -63.7 | 167.3 | 0 | 0 | 0 | 112.1 | T344 I381 | I341-T344 WeakPolarHBondContact O-CB 3.47Å; I341-T344 PolarHBondContact O-N 3.42Å; I341-T344 PolarHBondContact O-OG1 3.45Å; I341-I381 HydrophobicContact CG1-CD1 4.15Å; I341-I381 HydrophobicContact CG1-CG2 4.06Å |
| 342 | E | 65 | Low | 63.4 | Low | 26 Ų | 26 | 59 Ų | 59 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -31.5 | -169.9 | -80.1 | 141.3 | -143.7 | 0 | 0 | 115.4 | S298 I301 K302 E340 T344 K345 L346 | S298-E342 WeakPolarHBondContact CA-OE2 3.38Å; S298-E342 PolarHBondContact OG-OE2 3.28Å; S298-E342 VanDerWaalsContact OG-OE2 3.12Å; I301-E342 HydrophobicContact CB-CB 4.16Å; I301-E342 HydrophobicContact CG2-CB 3.62Å; K302-E342 VanDerWaalsContact CE-CD 3.4Å; K302-E342 WeakPolarHBondContact CE-OE1 3.48Å; K302-E342 WeakPolarHBondContact CE-OE2 3.27Å; K302-E342 HydrophobicContact CG-CG 3.84Å; K302-E342 WeakPolarHBondContact CG-OE2 3.29Å; K302-E342 IonicContact NZ-OE1 3Å; K302-E342 PolarHBondContact NZ-OE1 3.23Å; K302-E342 IonicContact NZ-OE2 2.76Å; K302-E342 PolarHBondContact NZ-OE2 3.31Å; E340-E342 PolarHBondContact O-N 2.93Å; E342-T344 PolarHBondContact O-N 2.94Å; E342-K345 PolarHBondContact O-N 2.92Å; E342-L346 PolarHBondContact O-N 3.28Å |
| 343 | Y | 68.4 | Low | 65.7 | Low | 6 Ų | 6 | 52.9 Ų | 52.9 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -32 | 173.2 | -73.4 | -79 | 0 | 0 | 0 | 112.2 | I301 I316 T320 M337 K345 L346 L347 L356 | I301-Y343 HydrophobicContact CD1-CD1 3.89Å; I301-Y343 HydrophobicContact CD1-CD2 3.9Å; I301-Y343 HydrophobicContact CD1-CE1 3.45Å; I301-Y343 VanDerWaalsContact CD1-CE1 3.45Å; I301-Y343 HydrophobicContact CD1-CE2 3.44Å; I301-Y343 VanDerWaalsContact CD1-CE2 3.44Å; I301-Y343 HydrophobicContact CD1-CG 4.11Å; I301-Y343 HydrophobicContact CG1-CE1 4.33Å; I316-Y343 HydrophobicContact CG2-CE1 3.97Å; T320-Y343 PolarHBondContact OG1-OH 2.65Å; M337-Y343 VanDerWaalsContact O-CE2 3.31Å; M337-Y343 WeakPolarHBondContact O-CE2 3.49Å; Y343-K345 PolarHBondContact O-N 3.42Å; Y343-L346 PolarHBondContact O-N 3.13Å; Y343-L347 HydrophobicContact CD1-CD1 3.89Å; Y343-L347 PolarHBondContact O-N 3.31Å; Y343-L356 HydrophobicContact CD1-CD1 3.85Å; Y343-L356 HydrophobicContact CE1-CD1 4.31Å; Y343-L356 HydrophobicContact CG-CD1 4.24Å |
| 344 | T | 67.5 | Low | 67.9 | Low | 42 Ų | 42 | 55.3 Ų | 55.3 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.4 | -20.7 | 178.7 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | I341 E342 Y385 | I341-T344 WeakPolarHBondContact O-CB 3.47Å; I341-T344 PolarHBondContact O-N 3.42Å; I341-T344 PolarHBondContact O-OG1 3.45Å; E342-T344 PolarHBondContact O-N 2.94Å; T344-Y385 HydrophobicContact CG2-CD1 4.05Å; T344-Y385 HydrophobicContact CG2-CD2 3.61Å; T344-Y385 HydrophobicContact CG2-CE2 4.23Å; T344-Y385 HydrophobicContact CG2-CG 3.51Å; T344-Y385 WeakPolarHBondContact O-CE2 3.5Å |
| 345 | K | 71.3 | Confident | 69.9 | Low | 146 Ų | 146 | 54.6 Ų | 54.6 | 64% | 0.635 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -92.8 | -24.3 | 176.4 | -63.1 | -177.9 | 179.3 | 178 | 0 | 112.8 | T305 E342 Y343 | T305-K345 HydrophobicContact CG2-CB 4.2Å; E342-K345 PolarHBondContact O-N 2.92Å; Y343-K345 PolarHBondContact O-N 3.42Å |
| 346 | L | 71.5 | Confident | 71.7 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -91.1 | -39.5 | -175.1 | -174.1 | 70 | 0 | 0 | 0 | 112.8 | I301 L304 I313 E342 Y343 | I301-L346 HydrophobicContact CG1-CD2 4.31Å; I301-L346 HydrophobicContact CG2-CB 3.9Å; I301-L346 HydrophobicContact CG2-CD2 3.86Å; I301-L346 HydrophobicContact CG2-CG 4.37Å; L304-L346 HydrophobicContact CB-CD1 4.42Å; I313-L346 HydrophobicContact CD1-CD1 4.01Å; I313-L346 HydrophobicContact CD1-CG 4.3Å; I313-L346 HydrophobicContact CG1-CD1 3.96Å; I313-L346 HydrophobicContact CG1-CD2 4.2Å; I313-L346 HydrophobicContact CG1-CG 4.12Å; E342-L346 PolarHBondContact O-N 3.28Å; Y343-L346 PolarHBondContact O-N 3.13Å |
| 347 | L | 79.3 | Confident | 73.6 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -111.6 | 135.9 | -169.4 | -69.2 | 163.1 | 0 | 0 | 0 | 111.1 | I313 L317 Y343 E351 L356 Y385 | I313-L347 HydrophobicContact CG2-CD2 3.45Å; I313-L347 VanDerWaalsContact CG2-CD2 3.45Å; L317-L347 HydrophobicContact CD1-CD2 4Å; L317-L347 HydrophobicContact CD2-CD1 3.64Å; L317-L347 HydrophobicContact CD2-CD2 4.24Å; L317-L347 HydrophobicContact CG-CD2 4.34Å; Y343-L347 HydrophobicContact CD1-CD1 3.89Å; Y343-L347 PolarHBondContact O-N 3.31Å; L347-E351 HydrophobicContact CD2-CG 4.03Å; L347-L356 HydrophobicContact CD1-CD1 3.56Å; L347-L356 HydrophobicContact CD1-CG 4.5Å; L347-Y385 PolarHBondContact O-OH 2.95Å |
| 348 | P | 83.8 | Confident | 75.4 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | trans | -61.5 | 151.3 | 165.6 | -21 | 33 | 0 | 0 | 0 | 112.1 | A350 E351 F352 Y385 | P348-A350 PolarHBondContact O-N 2.87Å; P348-E351 PolarHBondContact O-N 3.34Å; P348-F352 PolarHBondContact O-N 3.14Å; P348-Y385 VanDerWaalsContact C-OH 3.23Å | ||
| 349 | L | 85.8 | Confident | 77 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.8 | -36.5 | -177.5 | -179.7 | 63 | 0 | 0 | 0 | 112.7 | E351 F352 K353 Y385 F386 | L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 3.09Å; L349-F352 PolarHBondContact O-N 3Å; L349-K353 WeakPolarHBondContact O-CG 3.37Å; L349-K353 PolarHBondContact O-N 3.13Å; L349-Y385 VanDerWaalsContact CA-OH 3.26Å; L349-Y385 WeakPolarHBondContact CA-OH 3.3Å; L349-Y385 HydrophobicContact CD1-CD1 3.98Å; L349-Y385 HydrophobicContact CD1-CE1 3.66Å; L349-Y385 PolarHBondContact N-OH 2.91Å; L349-F386 HydrophobicContact CD1-CD1 4.36Å; L349-F386 HydrophobicContact CD1-CD2 3.77Å; L349-F386 HydrophobicContact CD1-CE1 4.45Å; L349-F386 HydrophobicContact CD1-CE2 3.89Å; L349-F386 HydrophobicContact CD1-CG 4.02Å; L349-F386 HydrophobicContact CD1-CZ 4.22Å |
| 350 | A | 86 | Confident | 78.8 | Confident | 78 Ų | 78 | 48.2 Ų | 48.2 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P348 K354 | P348-A350 PolarHBondContact O-N 2.87Å; A350-K354 PolarHBondContact O-N 3.01Å |
| 351 | E | 83.7 | Confident | 80.5 | Confident | 50 Ų | 50 | 48.6 Ų | 48.6 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.6 | -38.6 | 178.8 | -171.9 | 164.1 | -167.6 | 0 | 0 | 111.6 | Q314 L317 L347 P348 L349 K353 K354 S355 | Q314-E351 PolarHBondContact NE2-OE1 3.2Å; L317-E351 HydrophobicContact CD1-CG 4.31Å; L317-E351 WeakPolarHBondContact CD1-OE1 3.48Å; L347-E351 HydrophobicContact CD2-CG 4.03Å; P348-E351 PolarHBondContact O-N 3.34Å; L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 3.09Å; E351-K353 VanDerWaalsContact C-N 3.3Å; E351-K353 PolarHBondContact O-N 3.3Å; E351-K354 PolarHBondContact O-N 3.17Å; E351-S355 WeakPolarHBondContact O-CB 3.45Å; E351-S355 PolarHBondContact O-N 2.96Å; E351-S355 PolarHBondContact O-OG 3.15Å |
| 352 | F | 87 | Confident | 82.2 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 171 | -171.8 | -79 | 0 | 0 | 0 | 111.3 | P348 L349 K354 S355 L356 L357 V382 Y385 F386 | P348-F352 PolarHBondContact O-N 3.14Å; L349-F352 PolarHBondContact O-N 3Å; F352-K354 VanDerWaalsContact C-N 3.3Å; F352-K354 PolarHBondContact O-N 2.92Å; F352-S355 PolarHBondContact O-N 3.34Å; F352-L356 HydrophobicContact CD1-CB 4.38Å; F352-L356 HydrophobicContact CD2-CB 3.91Å; F352-L356 HydrophobicContact CD2-CD1 3.64Å; F352-L356 HydrophobicContact CD2-CG 4.35Å; F352-L356 HydrophobicContact CE1-CB 4.28Å; F352-L356 HydrophobicContact CE2-CB 3.82Å; F352-L356 HydrophobicContact CE2-CD1 3.7Å; F352-L356 HydrophobicContact CE2-CG 4.42Å; F352-L356 HydrophobicContact CG-CB 4.18Å; F352-L356 HydrophobicContact CZ-CB 4.01Å; F352-L356 PolarHBondContact O-N 3.17Å; F352-L357 HydrophobicContact CD1-CB 4.41Å; F352-L357 HydrophobicContact CE1-CB 4.36Å; F352-L357 PolarHBondContact O-N 3.39Å; F352-V382 HydrophobicContact CE1-CG1 4.27Å; F352-V382 HydrophobicContact CZ-CG1 4.37Å; F352-Y385 HydrophobicContact CB-CE1 3.88Å; F352-Y385 HydrophobicContact CD1-CE1 4.41Å; F352-Y385 HydrophobicContact CD2-CD1 4.46Å; F352-Y385 HydrophobicContact CD2-CE1 4Å; F352-Y385 HydrophobicContact CG-CD1 4.4Å; F352-Y385 AromaticContact CG-CE1 3.83Å; F352-Y385 HydrophobicContact CG-CE1 3.83Å; F352-F386 AromaticContact CD1-CE2 3.61Å; F352-F386 HydrophobicContact CD1-CE2 3.61Å; F352-F386 AromaticContact CD1-CZ 3.92Å; F352-F386 HydrophobicContact CD1-CZ 3.92Å; F352-F386 AromaticContact CE1-CE2 3.64Å; F352-F386 HydrophobicContact CE1-CE2 3.64Å; F352-F386 HydrophobicContact CE1-CZ 4.1Å |
| 353 | K | 88.5 | Confident | 83.2 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.7 | -37.8 | 177.7 | -76.1 | -175.7 | -177.5 | -167.8 | 0 | 112.9 | L349 E351 L357 F386 T389 E392 | L349-K353 WeakPolarHBondContact O-CG 3.37Å; L349-K353 PolarHBondContact O-N 3.13Å; E351-K353 VanDerWaalsContact C-N 3.3Å; E351-K353 PolarHBondContact O-N 3.3Å; K353-L357 HydrophobicContact CG-CD2 4.34Å; K353-F386 HydrophobicContact CD-CE1 4.34Å; K353-F386 HydrophobicContact CG-CE1 3.91Å; K353-F386 HydrophobicContact CG-CZ 3.92Å; K353-T389 PolarHBondContact NZ-OG1 3.24Å; K353-T389 VanDerWaalsContact NZ-OG1 3.09Å; K353-E392 WeakPolarHBondContact CE-OE2 3.19Å; K353-E392 IonicContact NZ-OE1 3.71Å; K353-E392 PolarHBondContact NZ-OE1 3.38Å; K353-E392 IonicContact NZ-OE2 3.4Å; K353-E392 PolarHBondContact NZ-OE2 3.12Å |
| 354 | K | 88 | Confident | 84.1 | Confident | 175 Ų | 175 | 47.6 Ų | 47.6 | 76% | 0.761 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -74.5 | -45.5 | -179.7 | -174.9 | -177.5 | 175.3 | -172.3 | 0 | 112.2 | A350 E351 F352 | A350-K354 PolarHBondContact O-N 3.01Å; E351-K354 PolarHBondContact O-N 3.17Å; F352-K354 VanDerWaalsContact C-N 3.3Å; F352-K354 PolarHBondContact O-N 2.92Å |
| 355 | S | 84.3 | Confident | 85 | Confident | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -102.9 | -44.5 | -165.9 | -53.8 | 0 | 0 | 0 | 0 | 113.4 | E351 F352 I359 | E351-S355 WeakPolarHBondContact O-CB 3.45Å; E351-S355 PolarHBondContact O-N 2.96Å; E351-S355 PolarHBondContact O-OG 3.15Å; F352-S355 PolarHBondContact O-N 3.34Å; S355-I359 WeakPolarHBondContact O-CD1 3.44Å |
| 356 | L | 86 | Confident | 85.6 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -30.9 | -171.4 | -67 | -179.8 | 0 | 0 | 0 | 114.1 | L317 T320 Y343 L347 F352 I359 Y360 | L317-L356 HydrophobicContact CD2-CD1 3.95Å; L317-L356 HydrophobicContact CD2-CD2 3.84Å; L317-L356 HydrophobicContact CD2-CG 3.77Å; T320-L356 HydrophobicContact CG2-CD2 4.1Å; Y343-L356 HydrophobicContact CD1-CD1 3.85Å; Y343-L356 HydrophobicContact CE1-CD1 4.31Å; Y343-L356 HydrophobicContact CG-CD1 4.24Å; L347-L356 HydrophobicContact CD1-CD1 3.56Å; L347-L356 HydrophobicContact CD1-CG 4.5Å; F352-L356 HydrophobicContact CD1-CB 4.38Å; F352-L356 HydrophobicContact CD2-CB 3.91Å; F352-L356 HydrophobicContact CD2-CD1 3.64Å; F352-L356 HydrophobicContact CD2-CG 4.35Å; F352-L356 HydrophobicContact CE1-CB 4.28Å; F352-L356 HydrophobicContact CE2-CB 3.82Å; F352-L356 HydrophobicContact CE2-CD1 3.7Å; F352-L356 HydrophobicContact CE2-CG 4.42Å; F352-L356 HydrophobicContact CG-CB 4.18Å; F352-L356 HydrophobicContact CZ-CB 4.01Å; F352-L356 PolarHBondContact O-N 3.17Å; L356-I359 HydrophobicContact CD2-CD1 4.25Å; L356-I359 WeakPolarHBondContact O-CB 3.19Å; L356-I359 PolarHBondContact O-N 3.29Å; L356-Y360 PolarHBondContact O-N 3.15Å |
| 357 | L | 88.9 | Confident | 86 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 179.3 | 178.6 | 63.2 | 0 | 0 | 0 | 113.5 | F352 K353 I359 Y360 R361 F386 L393 | F352-L357 HydrophobicContact CD1-CB 4.41Å; F352-L357 HydrophobicContact CE1-CB 4.36Å; F352-L357 PolarHBondContact O-N 3.39Å; K353-L357 HydrophobicContact CG-CD2 4.34Å; L357-I359 VanDerWaalsContact C-N 3.31Å; L357-I359 PolarHBondContact O-N 3.48Å; L357-Y360 HydrophobicContact CD1-CD1 4.46Å; L357-Y360 PolarHBondContact O-N 3.09Å; L357-R361 HydrophobicContact CD1-CG 4.43Å; L357-R361 WeakPolarHBondContact O-CG 3.46Å; L357-R361 PolarHBondContact O-N 3.35Å; L357-F386 HydrophobicContact CD1-CZ 4.03Å; L357-F386 HydrophobicContact CD2-CE1 4.12Å; L357-F386 HydrophobicContact CD2-CZ 4.01Å; L357-F386 HydrophobicContact CG-CZ 4.42Å; L357-L393 HydrophobicContact CD1-CD2 3.56Å |
| 358 | P | 89.6 | Confident | 86 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 174.8 | -23.9 | 35.3 | 0 | 0 | 0 | 112.7 | R361 Q362 | P358-R361 PolarHBondContact O-N 3.09Å; P358-Q362 WeakPolarHBondContact O-CG 3.31Å; P358-Q362 PolarHBondContact O-N 3.27Å; P358-Q362 VanDerWaalsContact O-N 3.14Å |
| 359 | I | 86 | Confident | 85.8 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -47.4 | 176 | -61.5 | 166.5 | 0 | 0 | 0 | 109.7 | E321 S324 S355 L356 L357 R361 Q362 L363 | E321-I359 HydrophobicContact CB-CD1 3.84Å; E321-I359 HydrophobicContact CG-CD1 3.99Å; S324-I359 WeakPolarHBondContact OG-CG2 3.3Å; S355-I359 WeakPolarHBondContact O-CD1 3.44Å; L356-I359 HydrophobicContact CD2-CD1 4.25Å; L356-I359 WeakPolarHBondContact O-CB 3.19Å; L356-I359 PolarHBondContact O-N 3.29Å; L357-I359 VanDerWaalsContact C-N 3.31Å; L357-I359 PolarHBondContact O-N 3.48Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.28Å; I359-Q362 WeakPolarHBondContact O-CB 3.11Å; I359-Q362 PolarHBondContact O-N 2.94Å; I359-Q362 VanDerWaalsContact O-N 3.1Å; I359-L363 HydrophobicContact CG2-CD1 4Å; I359-L363 HydrophobicContact CG2-CG 4.36Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 3.47Å |
| 360 | Y | 89 | Confident | 85.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 177.6 | -175.5 | -114.1 | 0 | 0 | 0 | 112.5 | I338 L356 L357 Q362 L363 C364 S375 A378 F379 V382 C396 | I338-Y360 HydrophobicContact CB-CD2 4.46Å; I338-Y360 HydrophobicContact CD1-CD2 3.7Å; I338-Y360 HydrophobicContact CD1-CG 4.23Å; I338-Y360 HydrophobicContact CG2-CD2 4Å; I338-Y360 HydrophobicContact CG2-CE2 4.41Å; L356-Y360 PolarHBondContact O-N 3.15Å; L357-Y360 HydrophobicContact CD1-CD1 4.46Å; L357-Y360 PolarHBondContact O-N 3.09Å; Y360-Q362 VanDerWaalsContact C-N 3.34Å; Y360-Q362 PolarHBondContact O-N 2.97Å; Y360-L363 PolarHBondContact O-N 3.2Å; Y360-C364 PolarHBondContact O-N 3.09Å; Y360-C364 PolarHBondContact O-SG 2.99Å; Y360-C364 VanDerWaalsContact O-SG 3.32Å; Y360-S375 PolarHBondContact OH-O 3.28Å; Y360-A378 HydrophobicContact CE2-CB 4.17Å; Y360-F379 HydrophobicContact CE1-CD2 4.36Å; Y360-F379 WeakPolarHBondContact OH-CA 3.49Å; Y360-F379 VanDerWaalsContact OH-CB 3.25Å; Y360-F379 WeakPolarHBondContact OH-CB 3.47Å; Y360-F379 WeakPolarHBondContact OH-CD2 3.4Å; Y360-F379 PolarHBondContact OH-N 3.2Å; Y360-V382 HydrophobicContact CD1-CG1 4.37Å; Y360-V382 HydrophobicContact CE1-CB 4.47Å; Y360-V382 HydrophobicContact CE1-CG1 4.22Å; Y360-V382 HydrophobicContact CE1-CG2 4.42Å; Y360-V382 HydrophobicContact CE2-CG2 4.24Å; Y360-C396 HydrophobicContact CE1-CB 4.25Å |
| 361 | R | 90.1 | Very high | 85.3 | Confident | 80 Ų | 80 | 43.4 Ų | 43.4 | 30% | 0.302 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 174.5 | -79.6 | 177.1 | 169.7 | 139.9 | 6.1 | 112.2 | L357 P358 I359 L363 C364 Q365 E392 D395 | L357-R361 HydrophobicContact CD1-CG 4.43Å; L357-R361 WeakPolarHBondContact O-CG 3.46Å; L357-R361 PolarHBondContact O-N 3.35Å; P358-R361 PolarHBondContact O-N 3.09Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.28Å; R361-L363 VanDerWaalsContact C-N 3.35Å; R361-L363 PolarHBondContact O-N 2.9Å; R361-C364 PolarHBondContact O-N 3.33Å; R361-Q365 WeakPolarHBondContact O-CG 3.17Å; R361-Q365 PolarHBondContact O-N 2.91Å; R361-E392 PolarHBondContact NH2-O 2.94Å; R361-E392 VanDerWaalsContact NH2-O 3.07Å; R361-D395 IonicContact CZ-OD2 3.46Å; R361-D395 IonicContact NE-OD2 3.75Å; R361-D395 PolarHBondContact NE-OD2 2.95Å; R361-D395 IonicContact NH2-OD2 2.77Å; R361-D395 PolarHBondContact NH2-OD2 3.08Å |
| 362 | Q | 86.4 | Confident | 85.4 | Confident | 85 Ų | 85 | 41.3 Ų | 41.3 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -42 | 176 | -70.3 | 176.2 | 5 | 0 | 0 | 111.6 | P358 I359 Y360 C364 Q365 D366 | P358-Q362 WeakPolarHBondContact O-CG 3.31Å; P358-Q362 PolarHBondContact O-N 3.27Å; P358-Q362 VanDerWaalsContact O-N 3.14Å; I359-Q362 WeakPolarHBondContact O-CB 3.11Å; I359-Q362 PolarHBondContact O-N 2.94Å; I359-Q362 VanDerWaalsContact O-N 3.1Å; Y360-Q362 VanDerWaalsContact C-N 3.34Å; Y360-Q362 PolarHBondContact O-N 2.97Å; Q362-C364 VanDerWaalsContact C-N 3.31Å; Q362-C364 PolarHBondContact O-N 3.23Å; Q362-Q365 CarbonylContact O-C 3.45Å; Q362-Q365 PolarHBondContact O-N 3.37Å; Q362-D366 PolarHBondContact O-N 3.29Å |
| 363 | L | 86.3 | Confident | 85.3 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -28.3 | 177.4 | -64.1 | 170.8 | 0 | 0 | 0 | 113.2 | I338 I359 Y360 R361 Q365 V371 S375 | I338-L363 HydrophobicContact CD1-CD1 3.66Å; I359-L363 HydrophobicContact CG2-CD1 4Å; I359-L363 HydrophobicContact CG2-CG 4.36Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 3.47Å; Y360-L363 PolarHBondContact O-N 3.2Å; R361-L363 VanDerWaalsContact C-N 3.35Å; R361-L363 PolarHBondContact O-N 2.9Å; L363-Q365 VanDerWaalsContact C-N 3.31Å; L363-V371 HydrophobicContact CB-CG1 4.36Å; L363-V371 HydrophobicContact CD2-CG1 3.73Å; L363-S375 WeakPolarHBondContact CB-OG 3.49Å; L363-S375 PolarHBondContact O-OG 3.46Å; L363-S375 VanDerWaalsContact O-OG 3.1Å |
| 364 | C | 87.7 | Confident | 85 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.5 | -28.2 | 170.6 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | Y360 R361 Q362 D399 L400 | Y360-C364 PolarHBondContact O-N 3.09Å; Y360-C364 PolarHBondContact O-SG 2.99Å; Y360-C364 VanDerWaalsContact O-SG 3.32Å; R361-C364 PolarHBondContact O-N 3.33Å; Q362-C364 VanDerWaalsContact C-N 3.31Å; Q362-C364 PolarHBondContact O-N 3.23Å; C364-D399 HydrophobicContact CB-CB 4.43Å; C364-L400 HydrophobicContact CB-CD2 4.02Å; C364-L400 HydrophobicContact CB-CG 4.18Å |
| 365 | Q | 86.4 | Confident | 85 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -97 | 0.1 | -178.9 | -67.3 | 178.3 | 0.9 | 0 | 0 | 113.9 | R361 Q362 L363 D399 R750 | R361-Q365 WeakPolarHBondContact O-CG 3.17Å; R361-Q365 PolarHBondContact O-N 2.91Å; Q362-Q365 CarbonylContact O-C 3.45Å; Q362-Q365 PolarHBondContact O-N 3.37Å; L363-Q365 VanDerWaalsContact C-N 3.31Å; Q365-D399 HydrophobicContact CG-CB 4.17Å; Q365-D399 VanDerWaalsContact CG-OD2 3.25Å; Q365-D399 WeakPolarHBondContact CG-OD2 3.5Å; Q365-D399 PolarHBondContact NE2-OD2 3.03Å; Q365-R750 PolarHBondContact O-NE 2.8Å |
| 366 | D | 82.8 | Confident | 85.2 | Confident | 34 Ų | 34 | 31.6 Ų | 31.6 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | trans | -53 | 152.9 | -172.6 | -157.9 | -69.1 | 0 | 0 | 0 | 112.1 | Q362 D368 V371 Q372 | Q362-D366 PolarHBondContact O-N 3.29Å; D366-D368 VanDerWaalsContact C-N 3.32Å; D366-D368 PolarHBondContact OD1-N 3.04Å; D366-V371 HydrophobicContact CB-CB 4.08Å; D366-V371 HydrophobicContact CB-CG1 3.75Å; D366-Q372 HydrophobicContact CB-CG 4.35Å; D366-Q372 PolarHBondContact O-NE2 3.01Å | ||
| 367 | T | 79.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 34.6 Ų | 34.6 | 41% | 0.411 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -73.1 | -24.9 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 368 | D | 79.2 | Confident | 85.1 | Confident | 77 Ų | 77 | 34.4 Ų | 34.4 | 41% | 0.412 | 18% | 0.177 | S | C | . | . | trans | -87.6 | 122.2 | -180 | -166.8 | -62.7 | 0 | 0 | 0 | 111.7 | D366 E370 V371 Q372 | D366-D368 VanDerWaalsContact C-N 3.32Å; D366-D368 PolarHBondContact OD1-N 3.04Å; D368-E370 VanDerWaalsContact C-N 3.27Å; D368-E370 PolarHBondContact O-N 3.3Å; D368-E370 WeakPolarHBondContact OD1-CA 3.32Å; D368-E370 VanDerWaalsContact OD1-CB 3.32Å; D368-E370 WeakPolarHBondContact OD1-CB 3.48Å; D368-E370 PolarHBondContact OD1-N 2.97Å; D368-V371 HydrophobicContact CB-CB 4.27Å; D368-V371 HydrophobicContact CB-CG2 3.92Å; D368-V371 PolarHBondContact O-N 3.39Å; D368-V371 PolarHBondContact OD1-N 3.09Å; D368-Q372 WeakPolarHBondContact O-CG 3.2Å; D368-Q372 PolarHBondContact O-N 3.13Å; D368-Q372 VanDerWaalsContact O-N 3.1Å | ||
| 369 | S | 79.5 | Confident | 85.2 | Confident | 31 Ų | 31 | 31.7 Ų | 31.7 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -28 | -180 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | K373 | S369-K373 VanDerWaalsContact O-CB 3.29Å; S369-K373 WeakPolarHBondContact O-CB 3.25Å; S369-K373 PolarHBondContact O-N 2.77Å |
| 370 | E | 80.3 | Confident | 85.3 | Confident | 48 Ų | 48 | 31.5 Ų | 31.5 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.4 | -38.2 | 177.8 | -165.7 | 63.4 | -144.6 | 0 | 0 | 110.4 | D368 K373 Q374 | D368-E370 VanDerWaalsContact C-N 3.27Å; D368-E370 PolarHBondContact O-N 3.3Å; D368-E370 WeakPolarHBondContact OD1-CA 3.32Å; D368-E370 VanDerWaalsContact OD1-CB 3.32Å; D368-E370 WeakPolarHBondContact OD1-CB 3.48Å; D368-E370 PolarHBondContact OD1-N 2.97Å; E370-K373 PolarHBondContact O-N 3.5Å; E370-K373 IonicContact OE1-NZ 3.65Å; E370-K373 PolarHBondContact OE1-NZ 3.48Å; E370-K373 IonicContact OE2-NZ 2.8Å; E370-Q374 WeakPolarHBondContact O-CG 3.4Å; E370-Q374 PolarHBondContact O-N 3.01Å |
| 371 | V | 81.1 | Confident | 85.2 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 16% | 0.164 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 172.6 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | L363 D366 D368 K373 Q374 S375 | L363-V371 HydrophobicContact CB-CG1 4.36Å; L363-V371 HydrophobicContact CD2-CG1 3.73Å; D366-V371 HydrophobicContact CB-CB 4.08Å; D366-V371 HydrophobicContact CB-CG1 3.75Å; D368-V371 HydrophobicContact CB-CB 4.27Å; D368-V371 HydrophobicContact CB-CG2 3.92Å; D368-V371 PolarHBondContact O-N 3.39Å; D368-V371 PolarHBondContact OD1-N 3.09Å; V371-K373 VanDerWaalsContact C-N 3.31Å; V371-K373 PolarHBondContact O-N 3.13Å; V371-Q374 PolarHBondContact O-N 3.14Å; V371-Q374 VanDerWaalsContact O-N 3.14Å; V371-S375 PolarHBondContact O-N 3.5Å; V371-S375 PolarHBondContact O-OG 3.47Å; V371-S375 VanDerWaalsContact O-OG 3.14Å |
| 372 | Q | 86 | Confident | 85.1 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 175.6 | -68.1 | 177.1 | -14.8 | 0 | 0 | 112.5 | D366 D368 Q374 S375 A376 L400 S403 V417 | D366-Q372 HydrophobicContact CB-CG 4.35Å; D366-Q372 PolarHBondContact O-NE2 3.01Å; D368-Q372 WeakPolarHBondContact O-CG 3.2Å; D368-Q372 PolarHBondContact O-N 3.13Å; D368-Q372 VanDerWaalsContact O-N 3.1Å; Q372-Q374 VanDerWaalsContact C-N 3.27Å; Q372-Q374 PolarHBondContact O-N 3.31Å; Q372-S375 CarbonylContact O-C 3.6Å; Q372-S375 WeakPolarHBondContact O-CB 3.27Å; Q372-S375 PolarHBondContact O-N 3.1Å; Q372-A376 PolarHBondContact O-N 3.44Å; Q372-L400 WeakPolarHBondContact O-CD2 3.18Å; Q372-S403 VanDerWaalsContact CD-CB 3.5Å; Q372-S403 PolarHBondContact NE2-O 3.2Å; Q372-S403 PolarHBondContact OE1-O 3.42Å; Q372-S403 PolarHBondContact OE1-OG 2.91Å; Q372-V417 HydrophobicContact CB-CG1 4.07Å; Q372-V417 HydrophobicContact CB-CG2 3.64Å |
| 373 | K | 84.8 | Confident | 85.3 | Confident | 46 Ų | 46 | 26.1 Ų | 26.1 | 20% | 0.2 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.6 | -39.5 | 177.8 | 168.2 | 177.9 | 161.7 | -131.7 | 0 | 111.6 | S369 E370 V371 A376 I377 K416 V417 | S369-K373 VanDerWaalsContact O-CB 3.29Å; S369-K373 WeakPolarHBondContact O-CB 3.25Å; S369-K373 PolarHBondContact O-N 2.77Å; E370-K373 PolarHBondContact O-N 3.5Å; E370-K373 IonicContact OE1-NZ 3.65Å; E370-K373 PolarHBondContact OE1-NZ 3.48Å; E370-K373 IonicContact OE2-NZ 2.8Å; V371-K373 VanDerWaalsContact C-N 3.31Å; V371-K373 PolarHBondContact O-N 3.13Å; K373-A376 WeakPolarHBondContact O-CB 3.32Å; K373-A376 PolarHBondContact O-N 3.21Å; K373-I377 HydrophobicContact CG-CD1 4.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.44Å; K373-I377 PolarHBondContact O-N 2.85Å; K373-K416 HydrophobicContact CD-CB 4.09Å; K373-K416 WeakPolarHBondContact CD-O 3.45Å; K373-K416 VanDerWaalsContact CG-O 3.31Å; K373-K416 WeakPolarHBondContact CG-O 3.47Å; K373-V417 HydrophobicContact CB-CG2 4.23Å |
| 374 | Q | 84.1 | Confident | 85.4 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.7 | -39.7 | 177.7 | -64.2 | -76.4 | -0.4 | 0 | 0 | 110.9 | T334 C336 N339 E370 V371 Q372 A376 I377 A378 | T334-Q374 VanDerWaalsContact O-CG 3.28Å; T334-Q374 WeakPolarHBondContact O-CG 3.47Å; C336-Q374 HydrophobicContact CB-CB 3.36Å; C336-Q374 HydrophobicContact CB-CG 4.47Å; N339-Q374 PolarHBondContact ND2-OE1 3.42Å; N339-Q374 PolarHBondContact OD1-O 3.23Å; E370-Q374 WeakPolarHBondContact O-CG 3.4Å; E370-Q374 PolarHBondContact O-N 3.01Å; V371-Q374 PolarHBondContact O-N 3.14Å; V371-Q374 VanDerWaalsContact O-N 3.14Å; Q372-Q374 VanDerWaalsContact C-N 3.27Å; Q372-Q374 PolarHBondContact O-N 3.31Å; Q374-A376 PolarHBondContact O-N 3.14Å; Q374-I377 WeakPolarHBondContact O-CB 3.49Å; Q374-I377 PolarHBondContact O-N 3.43Å; Q374-I377 VanDerWaalsContact O-N 3.08Å; Q374-A378 PolarHBondContact O-N 3.48Å |
| 375 | S | 86.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.6 | -36.6 | 169 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | Y360 L363 V371 Q372 A378 F379 | Y360-S375 PolarHBondContact OH-O 3.28Å; L363-S375 WeakPolarHBondContact CB-OG 3.49Å; L363-S375 PolarHBondContact O-OG 3.46Å; L363-S375 VanDerWaalsContact O-OG 3.1Å; V371-S375 PolarHBondContact O-N 3.5Å; V371-S375 PolarHBondContact O-OG 3.47Å; V371-S375 VanDerWaalsContact O-OG 3.14Å; Q372-S375 CarbonylContact O-C 3.6Å; Q372-S375 WeakPolarHBondContact O-CB 3.27Å; Q372-S375 PolarHBondContact O-N 3.1Å; S375-A378 PolarHBondContact O-N 2.86Å; S375-F379 PolarHBondContact O-N 3.31Å |
| 376 | A | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.8 | -35.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q372 K373 Q374 F379 P380 L400 V417 L421 | Q372-A376 PolarHBondContact O-N 3.44Å; K373-A376 WeakPolarHBondContact O-CB 3.32Å; K373-A376 PolarHBondContact O-N 3.21Å; Q374-A376 PolarHBondContact O-N 3.14Å; A376-F379 PolarHBondContact O-N 2.89Å; A376-P380 WeakPolarHBondContact O-CD 3.49Å; A376-L400 HydrophobicContact CB-CD1 4.27Å; A376-L400 HydrophobicContact CB-CD2 4.09Å; A376-V417 HydrophobicContact CB-CG1 3.8Å; A376-V417 VanDerWaalsContact CB-O 3.23Å; A376-V417 WeakPolarHBondContact CB-O 3.49Å; A376-L421 HydrophobicContact CB-CB 4.25Å |
| 377 | I | 87.2 | Confident | 85.7 | Confident | 65 Ų | 65 | 28.6 Ų | 28.6 | 33% | 0.333 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 173.2 | -67.8 | 165.7 | 0 | 0 | 0 | 110.4 | K373 Q374 F379 P380 | K373-I377 HydrophobicContact CG-CD1 4.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.44Å; K373-I377 PolarHBondContact O-N 2.85Å; Q374-I377 WeakPolarHBondContact O-CB 3.49Å; Q374-I377 PolarHBondContact O-N 3.43Å; Q374-I377 VanDerWaalsContact O-N 3.08Å; I377-F379 VanDerWaalsContact C-N 3.32Å; I377-F379 PolarHBondContact O-N 2.98Å; I377-P380 WeakPolarHBondContact O-CD 3.33Å |
| 378 | A | 86.3 | Confident | 86 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.4 | -27.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I338 N339 Y360 Q374 S375 I381 V382 | I338-A378 HydrophobicContact CG2-CB 4.38Å; N339-A378 WeakPolarHBondContact OD1-CB 3.42Å; N339-A378 PolarHBondContact OD1-N 3.32Å; Y360-A378 HydrophobicContact CE2-CB 4.17Å; Q374-A378 PolarHBondContact O-N 3.48Å; S375-A378 PolarHBondContact O-N 2.86Å; A378-I381 WeakPolarHBondContact O-CA 3.32Å; A378-I381 WeakPolarHBondContact O-CB 3.42Å; A378-I381 PolarHBondContact O-N 3.08Å; A378-V382 HydrophobicContact CB-CG2 4.47Å; A378-V382 PolarHBondContact O-N 3.3Å |
| 379 | F | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.1 | -50.9 | -168.7 | -177.5 | -93.5 | 0 | 0 | 0 | 113.7 | Y360 S375 A376 I377 I381 V382 T383 L393 C396 L397 L400 L421 A428 M432 | Y360-F379 HydrophobicContact CE1-CD2 4.36Å; Y360-F379 WeakPolarHBondContact OH-CA 3.49Å; Y360-F379 VanDerWaalsContact OH-CB 3.25Å; Y360-F379 WeakPolarHBondContact OH-CB 3.47Å; Y360-F379 WeakPolarHBondContact OH-CD2 3.4Å; Y360-F379 PolarHBondContact OH-N 3.2Å; S375-F379 PolarHBondContact O-N 3.31Å; A376-F379 PolarHBondContact O-N 2.89Å; I377-F379 VanDerWaalsContact C-N 3.32Å; I377-F379 PolarHBondContact O-N 2.98Å; F379-I381 PolarHBondContact O-N 3.06Å; F379-V382 PolarHBondContact O-N 2.87Å; F379-V382 VanDerWaalsContact O-N 3.12Å; F379-T383 VanDerWaalsContact CE1-OG1 3.24Å; F379-T383 WeakPolarHBondContact CE1-OG1 3.38Å; F379-T383 WeakPolarHBondContact CZ-OG1 2.89Å; F379-T383 PolarHBondContact O-N 3.21Å; F379-T383 PolarHBondContact O-OG1 2.97Å; F379-L393 HydrophobicContact CE2-CB 4.11Å; F379-L393 HydrophobicContact CZ-CB 4.43Å; F379-C396 HydrophobicContact CD2-CB 4.31Å; F379-C396 HydrophobicContact CE2-CB 3.95Å; F379-L397 HydrophobicContact CE1-CB 4.4Å; F379-L397 HydrophobicContact CE1-CD1 3.92Å; F379-L397 HydrophobicContact CE2-CB 4.14Å; F379-L397 HydrophobicContact CZ-CB 3.72Å; F379-L397 HydrophobicContact CZ-CD1 4.12Å; F379-L397 HydrophobicContact CZ-CG 4.39Å; F379-L400 HydrophobicContact CB-CD1 3.88Å; F379-L400 HydrophobicContact CD2-CD1 3.78Å; F379-L400 HydrophobicContact CG-CD1 3.99Å; F379-L421 HydrophobicContact CB-CD1 4.12Å; F379-L421 HydrophobicContact CD1-CD1 3.56Å; F379-L421 HydrophobicContact CE1-CD1 4.34Å; F379-L421 HydrophobicContact CG-CD1 4.09Å; F379-A428 HydrophobicContact CD1-CB 4.21Å; F379-A428 HydrophobicContact CE1-CB 4.06Å; F379-M432 HydrophobicContact CE1-SD 3.95Å; F379-M432 HydrophobicContact CZ-CE 4.38Å; F379-M432 HydrophobicContact CZ-SD 3.79Å |
| 380 | P | 88.9 | Confident | 86.8 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -31.1 | 179.5 | -25.6 | 38.2 | 0 | 0 | 0 | 114.1 | A376 I377 T384 N424 A428 | A376-P380 WeakPolarHBondContact O-CD 3.49Å; I377-P380 WeakPolarHBondContact O-CD 3.33Å; P380-T384 WeakPolarHBondContact O-CB 3.4Å; P380-T384 PolarHBondContact O-N 2.62Å; P380-T384 PolarHBondContact O-OG1 3.43Å; P380-N424 HydrophobicContact CB-CB 3.8Å; P380-N424 HydrophobicContact CG-CB 3.79Å; P380-A428 HydrophobicContact CB-CB 4.09Å; P380-A428 HydrophobicContact CG-CB 4.33Å |
| 381 | I | 85.7 | Confident | 87 | Confident | 47 Ų | 47 | 31.1 Ų | 31.1 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.4 | -48.9 | 176.6 | -58.6 | 169.6 | 0 | 0 | 0 | 109.2 | N339 I341 A378 F379 T383 T384 Y385 | N339-I381 WeakPolarHBondContact O-CD1 3.05Å; I341-I381 HydrophobicContact CG1-CD1 4.15Å; I341-I381 HydrophobicContact CG1-CG2 4.06Å; A378-I381 WeakPolarHBondContact O-CA 3.32Å; A378-I381 WeakPolarHBondContact O-CB 3.42Å; A378-I381 PolarHBondContact O-N 3.08Å; F379-I381 PolarHBondContact O-N 3.06Å; I381-T383 VanDerWaalsContact C-N 3.33Å; I381-T383 PolarHBondContact O-N 3.3Å; I381-T384 PolarHBondContact O-N 3.39Å; I381-Y385 WeakPolarHBondContact O-CB 3.11Å; I381-Y385 PolarHBondContact O-N 2.93Å |
| 382 | V | 88.2 | Confident | 87.4 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.6 | -178 | 0 | 0 | 0 | 0 | 110.7 | I338 F352 Y360 A378 F379 Y385 F386 L393 | I338-V382 HydrophobicContact CG2-CG2 3.96Å; F352-V382 HydrophobicContact CE1-CG1 4.27Å; F352-V382 HydrophobicContact CZ-CG1 4.37Å; Y360-V382 HydrophobicContact CD1-CG1 4.37Å; Y360-V382 HydrophobicContact CE1-CB 4.47Å; Y360-V382 HydrophobicContact CE1-CG1 4.22Å; Y360-V382 HydrophobicContact CE1-CG2 4.42Å; Y360-V382 HydrophobicContact CE2-CG2 4.24Å; A378-V382 HydrophobicContact CB-CG2 4.47Å; A378-V382 PolarHBondContact O-N 3.3Å; F379-V382 PolarHBondContact O-N 2.87Å; F379-V382 VanDerWaalsContact O-N 3.12Å; V382-Y385 WeakPolarHBondContact O-CB 3.5Å; V382-Y385 PolarHBondContact O-N 3.13Å; V382-F386 HydrophobicContact CG1-CD2 4.02Å; V382-F386 HydrophobicContact CG1-CE2 3.86Å; V382-F386 VanDerWaalsContact O-CD2 3.23Å; V382-F386 WeakPolarHBondContact O-CD2 3.35Å; V382-F386 PolarHBondContact O-N 3.45Å; V382-L393 HydrophobicContact CG1-CD1 3.91Å; V382-L393 HydrophobicContact CG1-CD2 4.34Å |
| 383 | T | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.1 | -47 | 0 | 0 | 0 | 0 | 112.1 | F379 I381 Y385 F386 G387 A390 A428 C431 M432 | F379-T383 VanDerWaalsContact CE1-OG1 3.24Å; F379-T383 WeakPolarHBondContact CE1-OG1 3.38Å; F379-T383 WeakPolarHBondContact CZ-OG1 2.89Å; F379-T383 PolarHBondContact O-N 3.21Å; F379-T383 PolarHBondContact O-OG1 2.97Å; I381-T383 VanDerWaalsContact C-N 3.33Å; I381-T383 PolarHBondContact O-N 3.3Å; T383-Y385 VanDerWaalsContact C-N 3.27Å; T383-Y385 PolarHBondContact O-N 2.87Å; T383-F386 PolarHBondContact O-N 3.04Å; T383-G387 PolarHBondContact O-N 3.31Å; T383-A390 HydrophobicContact CG2-CB 3.74Å; T383-A428 HydrophobicContact CG2-CB 4.23Å; T383-A428 WeakPolarHBondContact CG2-O 3.49Å; T383-C431 HydrophobicContact CG2-CB 3.79Å; T383-M432 HydrophobicContact CG2-CG 3.51Å; T383-M432 HydrophobicContact CG2-SD 4.29Å |
| 384 | T | 88.5 | Confident | 87.9 | Confident | 77 Ų | 77 | 31.4 Ų | 31.4 | 47% | 0.472 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62 | -39.2 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | P380 I381 G387 | P380-T384 WeakPolarHBondContact O-CB 3.4Å; P380-T384 PolarHBondContact O-N 2.62Å; P380-T384 PolarHBondContact O-OG1 3.43Å; I381-T384 PolarHBondContact O-N 3.39Å; T384-G387 PolarHBondContact O-N 3.31Å |
| 385 | Y | 87.1 | Confident | 88.2 | Confident | 51 Ų | 51 | 33 Ų | 33 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 176.9 | -179.2 | -123.1 | 0 | 0 | 0 | 113.3 | T344 L347 P348 L349 F352 I381 V382 T383 G387 | T344-Y385 HydrophobicContact CG2-CD1 4.05Å; T344-Y385 HydrophobicContact CG2-CD2 3.61Å; T344-Y385 HydrophobicContact CG2-CE2 4.23Å; T344-Y385 HydrophobicContact CG2-CG 3.51Å; T344-Y385 WeakPolarHBondContact O-CE2 3.5Å; L347-Y385 PolarHBondContact O-OH 2.95Å; P348-Y385 VanDerWaalsContact C-OH 3.23Å; L349-Y385 VanDerWaalsContact CA-OH 3.26Å; L349-Y385 WeakPolarHBondContact CA-OH 3.3Å; L349-Y385 HydrophobicContact CD1-CD1 3.98Å; L349-Y385 HydrophobicContact CD1-CE1 3.66Å; L349-Y385 PolarHBondContact N-OH 2.91Å; F352-Y385 HydrophobicContact CB-CE1 3.88Å; F352-Y385 HydrophobicContact CD1-CE1 4.41Å; F352-Y385 HydrophobicContact CD2-CD1 4.46Å; F352-Y385 HydrophobicContact CD2-CE1 4Å; F352-Y385 HydrophobicContact CG-CD1 4.4Å; F352-Y385 AromaticContact CG-CE1 3.83Å; F352-Y385 HydrophobicContact CG-CE1 3.83Å; I381-Y385 WeakPolarHBondContact O-CB 3.11Å; I381-Y385 PolarHBondContact O-N 2.93Å; V382-Y385 WeakPolarHBondContact O-CB 3.5Å; V382-Y385 PolarHBondContact O-N 3.13Å; T383-Y385 VanDerWaalsContact C-N 3.27Å; T383-Y385 PolarHBondContact O-N 2.87Å; Y385-G387 VanDerWaalsContact C-N 3.3Å; Y385-G387 PolarHBondContact O-N 2.91Å |
| 386 | F | 89.9 | Confident | 88.4 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.7 | -27.2 | 175.8 | -86.1 | -122.3 | 0 | 0 | 0 | 112.6 | L349 F352 K353 L357 V382 T383 K388 T389 A390 L393 | L349-F386 HydrophobicContact CD1-CD1 4.36Å; L349-F386 HydrophobicContact CD1-CD2 3.77Å; L349-F386 HydrophobicContact CD1-CE1 4.45Å; L349-F386 HydrophobicContact CD1-CE2 3.89Å; L349-F386 HydrophobicContact CD1-CG 4.02Å; L349-F386 HydrophobicContact CD1-CZ 4.22Å; F352-F386 AromaticContact CD1-CE2 3.61Å; F352-F386 HydrophobicContact CD1-CE2 3.61Å; F352-F386 AromaticContact CD1-CZ 3.92Å; F352-F386 HydrophobicContact CD1-CZ 3.92Å; F352-F386 AromaticContact CE1-CE2 3.64Å; F352-F386 HydrophobicContact CE1-CE2 3.64Å; F352-F386 HydrophobicContact CE1-CZ 4.1Å; K353-F386 HydrophobicContact CD-CE1 4.34Å; K353-F386 HydrophobicContact CG-CE1 3.91Å; K353-F386 HydrophobicContact CG-CZ 3.92Å; L357-F386 HydrophobicContact CD1-CZ 4.03Å; L357-F386 HydrophobicContact CD2-CE1 4.12Å; L357-F386 HydrophobicContact CD2-CZ 4.01Å; L357-F386 HydrophobicContact CG-CZ 4.42Å; V382-F386 HydrophobicContact CG1-CD2 4.02Å; V382-F386 HydrophobicContact CG1-CE2 3.86Å; V382-F386 VanDerWaalsContact O-CD2 3.23Å; V382-F386 WeakPolarHBondContact O-CD2 3.35Å; V382-F386 PolarHBondContact O-N 3.45Å; T383-F386 PolarHBondContact O-N 3.04Å; F386-K388 PolarHBondContact O-N 3.08Å; F386-T389 PolarHBondContact O-N 3.49Å; F386-T389 PolarHBondContact O-OG1 3.23Å; F386-A390 HydrophobicContact CB-CB 4.27Å; F386-L393 HydrophobicContact CB-CD1 4.1Å; F386-L393 HydrophobicContact CD1-CD1 4.11Å; F386-L393 HydrophobicContact CD1-CD2 4.32Å; F386-L393 HydrophobicContact CD1-CG 4.08Å; F386-L393 HydrophobicContact CD2-CD1 4.03Å; F386-L393 HydrophobicContact CE1-CD2 4.03Å; F386-L393 HydrophobicContact CE1-CG 4.29Å; F386-L393 HydrophobicContact CE2-CD1 4.5Å; F386-L393 HydrophobicContact CE2-CD2 4.45Å; F386-L393 HydrophobicContact CG-CD1 3.82Å; F386-L393 HydrophobicContact CG-CG 4.31Å; F386-L393 HydrophobicContact CZ-CD2 4.11Å |
| 387 | G | 87.4 | Confident | 88.5 | Confident | 24 Ų | 24 | 33 Ų | 33 | 25% | 0.247 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | 49.7 | -109.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T383 T384 Y385 T389 A390 | T383-G387 PolarHBondContact O-N 3.31Å; T384-G387 PolarHBondContact O-N 3.31Å; Y385-G387 VanDerWaalsContact C-N 3.3Å; Y385-G387 PolarHBondContact O-N 2.91Å; G387-T389 PolarHBondContact O-N 3.28Å; G387-A390 WeakPolarHBondContact O-CB 3.27Å; G387-A390 PolarHBondContact O-N 3.42Å; G387-A390 VanDerWaalsContact O-N 3.14Å |
| 388 | K | 84.8 | Confident | 88.6 | Confident | 182 Ų | 182 | 31.3 Ų | 31.3 | 79% | 0.791 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -64.3 | -20.6 | -178.3 | -63.6 | -177.7 | -178.7 | 179 | 0 | 114.8 | F386 A435 | F386-K388 PolarHBondContact O-N 3.08Å; K388-A435 VanDerWaalsContact O-CB 3.23Å; K388-A435 WeakPolarHBondContact O-CB 3.33Å |
| 389 | T | 86.4 | Confident | 88.7 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 24% | 0.239 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -104.7 | 18.6 | 176.7 | 67 | 0 | 0 | 0 | 0 | 112.6 | K353 F386 G387 E391 E392 | K353-T389 PolarHBondContact NZ-OG1 3.24Å; K353-T389 VanDerWaalsContact NZ-OG1 3.09Å; F386-T389 PolarHBondContact O-N 3.49Å; F386-T389 PolarHBondContact O-OG1 3.23Å; G387-T389 PolarHBondContact O-N 3.28Å; T389-E391 PolarHBondContact O-N 3.09Å; T389-E391 VanDerWaalsContact O-N 3.09Å; T389-E392 PolarHBondContact O-N 3.26Å |
| 390 | A | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -62.2 | -15.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | T383 F386 G387 E392 L393 C431 M432 A435 | T383-A390 HydrophobicContact CG2-CB 3.74Å; F386-A390 HydrophobicContact CB-CB 4.27Å; G387-A390 WeakPolarHBondContact O-CB 3.27Å; G387-A390 PolarHBondContact O-N 3.42Å; G387-A390 VanDerWaalsContact O-N 3.14Å; A390-E392 PolarHBondContact O-N 3.5Å; A390-L393 PolarHBondContact O-N 3.16Å; A390-C431 HydrophobicContact CB-CB 4.27Å; A390-M432 HydrophobicContact CB-CG 4.24Å; A390-A435 HydrophobicContact CB-CB 3.96Å |
| 391 | E | 85.5 | Confident | 88.5 | Confident | 55 Ų | 55 | 32.1 Ų | 32.1 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -61.5 | -24.3 | 173.9 | 64.3 | 174.5 | -175 | 0 | 0 | 113.9 | T389 L393 V394 A439 I451 | T389-E391 PolarHBondContact O-N 3.09Å; T389-E391 VanDerWaalsContact O-N 3.09Å; E391-L393 PolarHBondContact O-N 3.16Å; E391-V394 WeakPolarHBondContact O-CG2 3.4Å; E391-V394 PolarHBondContact O-N 3.06Å; E391-A439 VanDerWaalsContact CD-CB 3.42Å; E391-A439 WeakPolarHBondContact OE1-CB 3.07Å; E391-A439 WeakPolarHBondContact OE2-CB 3.13Å; E391-I451 HydrophobicContact CB-CD1 4.37Å |
| 392 | E | 88.5 | Confident | 88.3 | Confident | 71 Ų | 71 | 31 Ų | 31 | 33% | 0.332 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -68.9 | -10.5 | 177.5 | -66.8 | 175.1 | -151.3 | 0 | 0 | 113.5 | K353 R361 T389 A390 D395 | K353-E392 WeakPolarHBondContact CE-OE2 3.19Å; K353-E392 IonicContact NZ-OE1 3.71Å; K353-E392 PolarHBondContact NZ-OE1 3.38Å; K353-E392 IonicContact NZ-OE2 3.4Å; K353-E392 PolarHBondContact NZ-OE2 3.12Å; R361-E392 PolarHBondContact NH2-O 2.94Å; R361-E392 VanDerWaalsContact NH2-O 3.07Å; T389-E392 PolarHBondContact O-N 3.26Å; A390-E392 PolarHBondContact O-N 3.5Å; E392-D395 VanDerWaalsContact O-OD1 3.08Å |
| 393 | L | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -102.7 | 6.5 | -177.5 | -57.4 | 174.3 | 0 | 0 | 0 | 113.1 | L357 F379 V382 F386 A390 E391 D395 C396 L397 | L357-L393 HydrophobicContact CD1-CD2 3.56Å; F379-L393 HydrophobicContact CE2-CB 4.11Å; F379-L393 HydrophobicContact CZ-CB 4.43Å; V382-L393 HydrophobicContact CG1-CD1 3.91Å; V382-L393 HydrophobicContact CG1-CD2 4.34Å; F386-L393 HydrophobicContact CB-CD1 4.1Å; F386-L393 HydrophobicContact CD1-CD1 4.11Å; F386-L393 HydrophobicContact CD1-CD2 4.32Å; F386-L393 HydrophobicContact CD1-CG 4.08Å; F386-L393 HydrophobicContact CD2-CD1 4.03Å; F386-L393 HydrophobicContact CE1-CD2 4.03Å; F386-L393 HydrophobicContact CE1-CG 4.29Å; F386-L393 HydrophobicContact CE2-CD1 4.5Å; F386-L393 HydrophobicContact CE2-CD2 4.45Å; F386-L393 HydrophobicContact CG-CD1 3.82Å; F386-L393 HydrophobicContact CG-CG 4.31Å; F386-L393 HydrophobicContact CZ-CD2 4.11Å; A390-L393 PolarHBondContact O-N 3.16Å; E391-L393 PolarHBondContact O-N 3.16Å; L393-D395 WeakPolarHBondContact CA-OD1 3.43Å; L393-D395 PolarHBondContact O-N 3.08Å; L393-C396 WeakPolarHBondContact O-CB 3.46Å; L393-C396 PolarHBondContact O-N 3.34Å; L393-C396 VanDerWaalsContact O-N 3.16Å; L393-L397 PolarHBondContact O-N 3.47Å |
| 394 | V | 89.8 | Confident | 86.1 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -34.2 | -179.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | E391 L397 I398 M432 I451 I455 I458 | E391-V394 WeakPolarHBondContact O-CG2 3.4Å; E391-V394 PolarHBondContact O-N 3.06Å; V394-L397 PolarHBondContact O-N 2.87Å; V394-I398 HydrophobicContact CG1-CD1 4.22Å; V394-I398 VanDerWaalsContact O-CG1 3.29Å; V394-I398 WeakPolarHBondContact O-CG1 3.44Å; V394-I398 PolarHBondContact O-N 3.1Å; V394-M432 HydrophobicContact CB-CE 4.26Å; V394-M432 HydrophobicContact CG2-CE 3.52Å; V394-I451 HydrophobicContact CG2-CG2 3.91Å; V394-I455 HydrophobicContact CG2-CD1 4.28Å; V394-I455 HydrophobicContact CG2-CG1 4.26Å; V394-I458 HydrophobicContact CG1-CD1 4.36Å |
| 395 | D | 90.4 | Very high | 84.3 | Confident | 54 Ų | 54 | 31.2 Ų | 31.2 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 171.8 | 60.3 | -22.1 | 0 | 0 | 0 | 111.9 | R361 E392 L393 L397 I398 D399 | R361-D395 IonicContact CZ-OD2 3.46Å; R361-D395 IonicContact NE-OD2 3.75Å; R361-D395 PolarHBondContact NE-OD2 2.95Å; R361-D395 IonicContact NH2-OD2 2.77Å; R361-D395 PolarHBondContact NH2-OD2 3.08Å; E392-D395 VanDerWaalsContact O-OD1 3.08Å; L393-D395 WeakPolarHBondContact CA-OD1 3.43Å; L393-D395 PolarHBondContact O-N 3.08Å; D395-L397 VanDerWaalsContact C-N 3.32Å; D395-L397 PolarHBondContact O-N 3.5Å; D395-I398 WeakPolarHBondContact O-CB 3.19Å; D395-I398 PolarHBondContact O-N 3.14Å; D395-I398 VanDerWaalsContact O-N 3.15Å; D395-D399 PolarHBondContact O-N 3.44Å |
| 396 | C | 91.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 111 | Y360 F379 L393 I398 D399 L400 | Y360-C396 HydrophobicContact CE1-CB 4.25Å; F379-C396 HydrophobicContact CD2-CB 4.31Å; F379-C396 HydrophobicContact CE2-CB 3.95Å; L393-C396 WeakPolarHBondContact O-CB 3.46Å; L393-C396 PolarHBondContact O-N 3.34Å; L393-C396 VanDerWaalsContact O-N 3.16Å; C396-I398 VanDerWaalsContact C-N 3.34Å; C396-I398 PolarHBondContact O-N 3.25Å; C396-D399 PolarHBondContact O-N 3.39Å; C396-L400 WeakPolarHBondContact O-CB 3.42Å; C396-L400 WeakPolarHBondContact O-CG 3.48Å; C396-L400 PolarHBondContact O-N 3Å |
| 397 | L | 90.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.9 | -178.2 | 62.5 | 0 | 0 | 0 | 112 | F379 L393 V394 D395 I401 L421 M432 I458 | F379-L397 HydrophobicContact CE1-CB 4.4Å; F379-L397 HydrophobicContact CE1-CD1 3.92Å; F379-L397 HydrophobicContact CE2-CB 4.14Å; F379-L397 HydrophobicContact CZ-CB 3.72Å; F379-L397 HydrophobicContact CZ-CD1 4.12Å; F379-L397 HydrophobicContact CZ-CG 4.39Å; L393-L397 PolarHBondContact O-N 3.47Å; V394-L397 PolarHBondContact O-N 2.87Å; D395-L397 VanDerWaalsContact C-N 3.32Å; D395-L397 PolarHBondContact O-N 3.5Å; L397-I401 HydrophobicContact CD1-CD1 3.63Å; L397-I401 HydrophobicContact CD1-CG1 4.26Å; L397-I401 HydrophobicContact CG-CD1 3.91Å; L397-I401 WeakPolarHBondContact O-CB 3.33Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.15Å; L397-L421 HydrophobicContact CD1-CD1 4.35Å; L397-L421 HydrophobicContact CD1-CD2 3.77Å; L397-M432 HydrophobicContact CB-CE 4.25Å; L397-M432 HydrophobicContact CD2-CE 3.69Å; L397-M432 HydrophobicContact CD2-SD 3.86Å; L397-I458 HydrophobicContact CD2-CG2 4.42Å; L397-I458 HydrophobicContact CG-CG2 4.32Å |
| 398 | I | 88.8 | Confident | 78.2 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 175.5 | -68.5 | 164.9 | 0 | 0 | 0 | 109.5 | V394 D395 C396 L400 I401 Y402 I458 | V394-I398 HydrophobicContact CG1-CD1 4.22Å; V394-I398 VanDerWaalsContact O-CG1 3.29Å; V394-I398 WeakPolarHBondContact O-CG1 3.44Å; V394-I398 PolarHBondContact O-N 3.1Å; D395-I398 WeakPolarHBondContact O-CB 3.19Å; D395-I398 PolarHBondContact O-N 3.14Å; D395-I398 VanDerWaalsContact O-N 3.15Å; C396-I398 VanDerWaalsContact C-N 3.34Å; C396-I398 PolarHBondContact O-N 3.25Å; I398-L400 VanDerWaalsContact C-N 3.31Å; I398-L400 PolarHBondContact O-N 3.06Å; I398-I401 PolarHBondContact O-N 3.46Å; I398-Y402 HydrophobicContact CG2-CD2 3.9Å; I398-Y402 HydrophobicContact CG2-CE2 4.43Å; I398-Y402 WeakPolarHBondContact O-CB 3.39Å; I398-Y402 WeakPolarHBondContact O-CD2 3.35Å; I398-Y402 PolarHBondContact O-N 3.36Å; I398-I458 HydrophobicContact CD1-CD1 3.85Å; I398-I458 HydrophobicContact CG1-CD1 3.28Å; I398-I458 HydrophobicContact CG1-CG1 3.92Å |
| 399 | D | 89 | Confident | 76.3 | Confident | 17 Ų | 17 | 39.8 Ų | 39.8 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | -176.5 | -71.6 | -24.8 | 0 | 0 | 0 | 111.8 | C364 Q365 D395 C396 S403 R743 | C364-D399 HydrophobicContact CB-CB 4.43Å; Q365-D399 HydrophobicContact CG-CB 4.17Å; Q365-D399 VanDerWaalsContact CG-OD2 3.25Å; Q365-D399 WeakPolarHBondContact CG-OD2 3.5Å; Q365-D399 PolarHBondContact NE2-OD2 3.03Å; D395-D399 PolarHBondContact O-N 3.44Å; C396-D399 PolarHBondContact O-N 3.39Å; D399-S403 WeakPolarHBondContact O-CA 3.35Å; D399-S403 WeakPolarHBondContact O-CB 3.4Å; D399-S403 PolarHBondContact O-N 3.32Å; D399-R743 IonicContact OD1-CZ 2.67Å; D399-R743 IonicContact OD1-NH2 3.45Å; D399-R743 PolarHBondContact OD1-NH2 3.07Å |
| 400 | L | 89.1 | Confident | 74.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.6 | -35.1 | 177.5 | -67.7 | 171.6 | 0 | 0 | 0 | 113.7 | C364 Q372 A376 F379 C396 I398 V417 | C364-L400 HydrophobicContact CB-CD2 4.02Å; C364-L400 HydrophobicContact CB-CG 4.18Å; Q372-L400 WeakPolarHBondContact O-CD2 3.18Å; A376-L400 HydrophobicContact CB-CD1 4.27Å; A376-L400 HydrophobicContact CB-CD2 4.09Å; F379-L400 HydrophobicContact CB-CD1 3.88Å; F379-L400 HydrophobicContact CD2-CD1 3.78Å; F379-L400 HydrophobicContact CG-CD1 3.99Å; C396-L400 WeakPolarHBondContact O-CB 3.42Å; C396-L400 WeakPolarHBondContact O-CG 3.48Å; C396-L400 PolarHBondContact O-N 3Å; I398-L400 VanDerWaalsContact C-N 3.31Å; I398-L400 PolarHBondContact O-N 3.06Å; L400-V417 HydrophobicContact CB-CG1 4.32Å; L400-V417 HydrophobicContact CD2-CG1 4.02Å; L400-V417 VanDerWaalsContact O-CG1 3.3Å; L400-V417 WeakPolarHBondContact O-CG1 3.4Å |
| 401 | I | 85.6 | Confident | 72.2 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -76.8 | -38.2 | 179.1 | -73.4 | 171.3 | 0 | 0 | 0 | 111.3 | L397 I398 S403 L421 I458 C462 L465 | L397-I401 HydrophobicContact CD1-CD1 3.63Å; L397-I401 HydrophobicContact CD1-CG1 4.26Å; L397-I401 HydrophobicContact CG-CD1 3.91Å; L397-I401 WeakPolarHBondContact O-CB 3.33Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.15Å; I398-I401 PolarHBondContact O-N 3.46Å; I401-S403 VanDerWaalsContact C-N 3.33Å; I401-L421 HydrophobicContact CD1-CD2 4.04Å; I401-L421 HydrophobicContact CG1-CD2 3.84Å; I401-I458 HydrophobicContact CB-CG2 4.41Å; I401-I458 HydrophobicContact CD1-CG2 3.3Å; I401-I458 HydrophobicContact CG1-CG2 4.41Å; I401-I458 HydrophobicContact CG2-CG2 4.42Å; I401-C462 HydrophobicContact CD1-CB 4.21Å; I401-C462 HydrophobicContact CG2-CB 4.11Å; I401-L465 HydrophobicContact CG2-CD1 3.96Å |
| 402 | Y | 82 | Confident | 70.4 | Confident | 23 Ų | 23 | 56 Ų | 56 | 9% | 0.09 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -92.3 | 9.6 | 179 | -72.1 | -82.3 | 0 | 0 | 0 | 113.3 | I398 G404 D405 A461 | I398-Y402 HydrophobicContact CG2-CD2 3.9Å; I398-Y402 HydrophobicContact CG2-CE2 4.43Å; I398-Y402 WeakPolarHBondContact O-CB 3.39Å; I398-Y402 WeakPolarHBondContact O-CD2 3.35Å; I398-Y402 PolarHBondContact O-N 3.36Å; Y402-G404 PolarHBondContact O-N 3.03Å; Y402-D405 WeakPolarHBondContact CD1-OD2 3.38Å; Y402-D405 PolarHBondContact O-N 3.36Å; Y402-A461 VanDerWaalsContact OH-CB 3.29Å; Y402-A461 WeakPolarHBondContact OH-CB 3.05Å |
| 403 | S | 72.4 | Confident | 68.7 | Low | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.5 | -164.5 | 87.1 | 0 | 0 | 0 | 0 | 115.2 | Q372 D399 I401 V417 R750 | Q372-S403 VanDerWaalsContact CD-CB 3.5Å; Q372-S403 PolarHBondContact NE2-O 3.2Å; Q372-S403 PolarHBondContact OE1-O 3.42Å; Q372-S403 PolarHBondContact OE1-OG 2.91Å; D399-S403 WeakPolarHBondContact O-CA 3.35Å; D399-S403 WeakPolarHBondContact O-CB 3.4Å; D399-S403 PolarHBondContact O-N 3.32Å; I401-S403 VanDerWaalsContact C-N 3.33Å; S403-V417 WeakPolarHBondContact OG-CB 3.45Å; S403-V417 VanDerWaalsContact OG-CG2 3.27Å; S403-V417 WeakPolarHBondContact OG-CG2 3.49Å; S403-R750 PolarHBondContact O-NH2 3.2Å |
| 404 | G | 59.6 | Low | 67 | Low | 8 Ų | 8 | 57.9 Ų | 57.9 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 17.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y402 T406 | Y402-G404 PolarHBondContact O-N 3.03Å; G404-T406 VanDerWaalsContact C-N 3.3Å |
| 405 | D | 50.8 | Low | 65.8 | Low | 76 Ų | 76 | 59.6 Ų | 59.6 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -75.9 | -16.7 | 175.1 | -103.7 | -5.2 | 0 | 0 | 0 | 113.1 | Y402 | Y402-D405 WeakPolarHBondContact CD1-OD2 3.38Å; Y402-D405 PolarHBondContact O-N 3.36Å |
| 406 | T | 47.1 | Very low | 65 | Low | 79 Ų | 79 | 61.3 Ų | 61.3 | 49% | 0.485 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -93.9 | -21.2 | -173 | 55.3 | 0 | 0 | 0 | 0 | 114.9 | G404 L408 R750 | G404-T406 VanDerWaalsContact C-N 3.3Å; T406-L408 PolarHBondContact O-N 2.94Å; T406-R750 PolarHBondContact OG1-NH1 3.17Å |
| 407 | D | 45 | Very low | 64.5 | Low | 72 Ų | 72 | 61.3 Ų | 61.3 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | trans | -87.6 | 99.3 | -178.4 | -70.7 | -15 | 0 | 0 | 0 | 108.6 | D409 V412 | D407-D409 PolarHBondContact O-N 3.2Å; D407-V412 HydrophobicContact CB-CB 4.5Å; D407-V412 HydrophobicContact CB-CG2 4.43Å | ||
| 408 | L | 44.7 | Very low | 64.1 | Low | 178 Ų | 178 | 61.4 Ų | 61.4 | 93% | 0.932 | 31% | 0.306 | S | S | * | . | trans | -55.4 | -1.6 | 167.3 | -117.2 | 89.7 | 0 | 0 | 0 | 113.5 | T406 Y410 | T406-L408 PolarHBondContact O-N 2.94Å; L408-Y410 PolarHBondContact O-N 3.45Å | ||
| 409 | D | 44.2 | Very low | 63.9 | Low | 112 Ų | 112 | 63.3 Ų | 63.3 | 60% | 0.599 | 32% | 0.315 | S | S | * | . | trans | -78.9 | 105.4 | 177.8 | -151.4 | 9.9 | 0 | 0 | 0 | 108.9 | D407 H411 V412 | D407-D409 PolarHBondContact O-N 3.2Å; D409-H411 PolarHBondContact O-N 3.12Å; D409-V412 HydrophobicContact CB-CG2 4.42Å; D409-V412 PolarHBondContact O-N 3.17Å | ||
| 410 | Y | 47.6 | Very low | 63.5 | Low | 222 Ų | 222 | 63 Ų | 63 | 87% | 0.871 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -6.2 | -176.7 | -165.8 | -99.2 | 0 | 0 | 0 | 115.5 | L408 | L408-Y410 PolarHBondContact O-N 3.45Š|
| 411 | H | 42.2 | Very low | 63.3 | Low | 164 Ų | 164 | 63 Ų | 63 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -10.9 | -177.1 | -104.6 | -68.6 | 0 | 0 | 0 | 115.7 | D409 N413 | D409-H411 PolarHBondContact O-N 3.12Å; H411-N413 PolarHBondContact O-N 3.34Å |
| 412 | V | 48.3 | Very low | 63.2 | Low | 47 Ų | 47 | 62.9 Ų | 62.9 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | trans | -89.1 | 107.2 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 108 | D407 D409 P414 | D407-V412 HydrophobicContact CB-CB 4.5Å; D407-V412 HydrophobicContact CB-CG2 4.43Å; D409-V412 HydrophobicContact CB-CG2 4.42Å; D409-V412 PolarHBondContact O-N 3.17Å; V412-P414 WeakPolarHBondContact O-CD 3.49Å | ||
| 413 | N | 53 | Low | 63.2 | Low | 86 Ų | 86 | 68.6 Ų | 68.6 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | trans | -79.1 | 101.4 | 176.9 | -88.1 | -50.4 | 0 | 0 | 0 | 109.3 | H411 F415 K416 | H411-N413 PolarHBondContact O-N 3.34Å; N413-F415 HydrophobicContact CB-CD2 3.92Å; N413-F415 PolarHBondContact O-N 3.23Å; N413-F415 VanDerWaalsContact OD1-CD2 3.3Å; N413-F415 WeakPolarHBondContact OD1-CD2 3.33Å; N413-F415 WeakPolarHBondContact OD1-CE2 3.48Å; N413-K416 PolarHBondContact O-N 2.98Å; N413-K416 VanDerWaalsContact O-N 3.15Å | ||
| 414 | P | 55.3 | Low | 63.7 | Low | 25 Ų | 25 | 73.1 Ų | 73.1 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -23.5 | 170.7 | 13.9 | -28.5 | 0 | 0 | 0 | 113 | V412 K416 V417 | V412-P414 WeakPolarHBondContact O-CD 3.49Å; P414-K416 VanDerWaalsContact C-N 3.31Å; P414-K416 PolarHBondContact O-N 2.88Å; P414-V417 PolarHBondContact O-N 3.48Å |
| 415 | F | 64.2 | Low | 65.1 | Low | 49 Ų | 49 | 72.7 Ų | 72.7 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.7 | -25 | -176.1 | -41.9 | -53.7 | 0 | 0 | 0 | 114.9 | N413 V417 I418 E419 T469 | N413-F415 HydrophobicContact CB-CD2 3.92Å; N413-F415 PolarHBondContact O-N 3.23Å; N413-F415 VanDerWaalsContact OD1-CD2 3.3Å; N413-F415 WeakPolarHBondContact OD1-CD2 3.33Å; N413-F415 WeakPolarHBondContact OD1-CE2 3.48Å; F415-V417 PolarHBondContact O-N 2.8Å; F415-I418 PolarHBondContact O-N 3.37Å; F415-E419 WeakPolarHBondContact O-CB 3.42Å; F415-E419 PolarHBondContact O-N 3.24Å; F415-T469 HydrophobicContact CD1-CG2 3.21Å; F415-T469 HydrophobicContact CD2-CG2 4.32Å; F415-T469 HydrophobicContact CE1-CG2 3.11Å; F415-T469 HydrophobicContact CE2-CG2 4.24Å; F415-T469 HydrophobicContact CG-CG2 3.84Å; F415-T469 HydrophobicContact CZ-CG2 3.66Å |
| 416 | K | 74 | Confident | 66.9 | Low | 90 Ų | 90 | 69.5 Ų | 69.5 | 39% | 0.391 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 177.4 | -81.4 | -171.7 | 175.1 | -171.6 | 0 | 111.4 | K373 N413 P414 G420 | K373-K416 HydrophobicContact CD-CB 4.09Å; K373-K416 WeakPolarHBondContact CD-O 3.45Å; K373-K416 VanDerWaalsContact CG-O 3.31Å; K373-K416 WeakPolarHBondContact CG-O 3.47Å; N413-K416 PolarHBondContact O-N 2.98Å; N413-K416 VanDerWaalsContact O-N 3.15Å; P414-K416 VanDerWaalsContact C-N 3.31Å; P414-K416 PolarHBondContact O-N 2.88Å; K416-G420 PolarHBondContact O-N 2.99Å |
| 417 | V | 81.1 | Confident | 68.8 | Low | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.5 | -46.8 | -178.2 | -176 | 0 | 0 | 0 | 0 | 110.7 | Q372 K373 A376 L400 S403 P414 F415 E419 G420 L421 | Q372-V417 HydrophobicContact CB-CG1 4.07Å; Q372-V417 HydrophobicContact CB-CG2 3.64Å; K373-V417 HydrophobicContact CB-CG2 4.23Å; A376-V417 HydrophobicContact CB-CG1 3.8Å; A376-V417 VanDerWaalsContact CB-O 3.23Å; A376-V417 WeakPolarHBondContact CB-O 3.49Å; L400-V417 HydrophobicContact CB-CG1 4.32Å; L400-V417 HydrophobicContact CD2-CG1 4.02Å; L400-V417 VanDerWaalsContact O-CG1 3.3Å; L400-V417 WeakPolarHBondContact O-CG1 3.4Å; S403-V417 WeakPolarHBondContact OG-CB 3.45Å; S403-V417 VanDerWaalsContact OG-CG2 3.27Å; S403-V417 WeakPolarHBondContact OG-CG2 3.49Å; P414-V417 PolarHBondContact O-N 3.48Å; F415-V417 PolarHBondContact O-N 2.8Å; V417-E419 VanDerWaalsContact C-N 3.26Å; V417-E419 PolarHBondContact O-N 3.01Å; V417-G420 PolarHBondContact O-N 3.48Å; V417-L421 PolarHBondContact O-N 3.07Å |
| 418 | I | 83.4 | Confident | 71 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 176 | -57 | 175.9 | 0 | 0 | 0 | 111.3 | F415 G420 L421 T422 L465 T466 | F415-I418 PolarHBondContact O-N 3.37Å; I418-G420 VanDerWaalsContact C-N 3.25Å; I418-G420 PolarHBondContact O-N 3.27Å; I418-L421 WeakPolarHBondContact O-CB 3.27Å; I418-L421 PolarHBondContact O-N 3.3Å; I418-T422 HydrophobicContact CG2-CG2 3.85Å; I418-T422 VanDerWaalsContact O-CG2 3.32Å; I418-T422 WeakPolarHBondContact O-CG2 3.36Å; I418-T422 PolarHBondContact O-N 2.9Å; I418-T422 PolarHBondContact O-OG1 3.36Å; I418-L465 HydrophobicContact CD1-CB 4.08Å; I418-L465 HydrophobicContact CD1-CD1 4.18Å; I418-T466 HydrophobicContact CG2-CG2 3.76Å |
| 419 | E | 82.8 | Confident | 73.1 | Confident | 71 Ų | 71 | 56.2 Ų | 56.2 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.2 | -38.2 | 174.4 | -175.4 | -179.9 | 165.5 | 0 | 0 | 112.3 | F415 V417 L421 T422 N471 | F415-E419 WeakPolarHBondContact O-CB 3.42Å; F415-E419 PolarHBondContact O-N 3.24Å; V417-E419 VanDerWaalsContact C-N 3.26Å; V417-E419 PolarHBondContact O-N 3.01Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.26Å; E419-T422 PolarHBondContact O-OG1 2.89Å; E419-N471 PolarHBondContact OE2-ND2 3.38Å |
| 420 | G | 80.4 | Confident | 75.2 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | K416 V417 I418 | K416-G420 PolarHBondContact O-N 2.99Å; V417-G420 PolarHBondContact O-N 3.48Å; I418-G420 VanDerWaalsContact C-N 3.25Å; I418-G420 PolarHBondContact O-N 3.27Å |
| 421 | L | 85.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.7 | -42.9 | -177.7 | -174.8 | 65.9 | 0 | 0 | 0 | 113.1 | A376 F379 L397 I401 V417 I418 E419 K423 L425 | A376-L421 HydrophobicContact CB-CB 4.25Å; F379-L421 HydrophobicContact CB-CD1 4.12Å; F379-L421 HydrophobicContact CD1-CD1 3.56Å; F379-L421 HydrophobicContact CE1-CD1 4.34Å; F379-L421 HydrophobicContact CG-CD1 4.09Å; L397-L421 HydrophobicContact CD1-CD1 4.35Å; L397-L421 HydrophobicContact CD1-CD2 3.77Å; I401-L421 HydrophobicContact CD1-CD2 4.04Å; I401-L421 HydrophobicContact CG1-CD2 3.84Å; V417-L421 PolarHBondContact O-N 3.07Å; I418-L421 WeakPolarHBondContact O-CB 3.27Å; I418-L421 PolarHBondContact O-N 3.3Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.26Å; L421-K423 PolarHBondContact O-N 3.31Å; L421-L425 HydrophobicContact CD1-CD1 4.16Å; L421-L425 HydrophobicContact CD2-CD1 4.15Å; L421-L425 HydrophobicContact CG-CD1 3.97Å; L421-L425 WeakPolarHBondContact O-CB 3.48Å; L421-L425 PolarHBondContact O-N 3.37Å |
| 422 | T | 84 | Confident | 79.4 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -30.6 | -164.4 | 48.9 | 0 | 0 | 0 | 0 | 115.5 | I418 E419 N424 | I418-T422 HydrophobicContact CG2-CG2 3.85Å; I418-T422 VanDerWaalsContact O-CG2 3.32Å; I418-T422 WeakPolarHBondContact O-CG2 3.36Å; I418-T422 PolarHBondContact O-N 2.9Å; I418-T422 PolarHBondContact O-OG1 3.36Å; E419-T422 PolarHBondContact O-OG1 2.89Å; T422-N424 VanDerWaalsContact C-N 3.33Å; T422-N424 PolarHBondContact O-N 3.18Å |
| 423 | K | 80.7 | Confident | 81.2 | Confident | 143 Ų | 143 | 35.2 Ų | 35.2 | 62% | 0.622 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38.5 | -175 | -69 | -179 | -177.4 | 172.8 | 0 | 113.5 | L421 | L421-K423 PolarHBondContact O-N 3.31Š|
| 424 | N | 82.7 | Confident | 82.7 | Confident | 98 Ų | 98 | 34.4 Ų | 34.4 | 52% | 0.524 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 18 | -177.5 | -68 | -26.6 | 0 | 0 | 0 | 112 | P380 T422 G426 S427 | P380-N424 HydrophobicContact CB-CB 3.8Å; P380-N424 HydrophobicContact CG-CB 3.79Å; T422-N424 VanDerWaalsContact C-N 3.33Å; T422-N424 PolarHBondContact O-N 3.18Å; N424-G426 PolarHBondContact O-N 3.33Å; N424-S427 PolarHBondContact O-N 3.37Å; N424-S427 PolarHBondContact O-OG 3.26Å |
| 425 | L | 89.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.2 | -34.6 | -178.4 | 177.6 | 59.6 | 0 | 0 | 0 | 111.9 | L421 S427 A428 L429 L459 Y478 A481 | L421-L425 HydrophobicContact CD1-CD1 4.16Å; L421-L425 HydrophobicContact CD2-CD1 4.15Å; L421-L425 HydrophobicContact CG-CD1 3.97Å; L421-L425 WeakPolarHBondContact O-CB 3.48Å; L421-L425 PolarHBondContact O-N 3.37Å; L425-S427 PolarHBondContact O-N 2.94Å; L425-A428 WeakPolarHBondContact O-CB 3.48Å; L425-A428 PolarHBondContact O-N 3.08Å; L425-L429 HydrophobicContact CD1-CD1 4.23Å; L425-L429 HydrophobicContact CD1-CD2 4.07Å; L425-L429 HydrophobicContact CD1-CG 3.84Å; L425-L429 HydrophobicContact CD2-CD1 4.36Å; L425-L429 HydrophobicContact CG-CD1 3.87Å; L425-L429 HydrophobicContact CG-CG 3.97Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 2.83Å; L425-L459 HydrophobicContact CD2-CD2 4.23Å; L425-Y478 HydrophobicContact CD2-CD2 3.9Å; L425-Y478 HydrophobicContact CD2-CE2 4.22Å; L425-A481 HydrophobicContact CB-CB 3.95Å; L425-A481 HydrophobicContact CD2-CB 4.47Å; L425-A481 HydrophobicContact CG-CB 4.42Å |
| 426 | G | 89.5 | Confident | 84.8 | Confident | 9 Ų | 9 | 31 Ų | 31 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.7 | -42.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | N424 Q430 T484 | N424-G426 PolarHBondContact O-N 3.33Å; G426-Q430 PolarHBondContact O-N 2.95Å; G426-Q430 VanDerWaalsContact O-N 3.16Å; G426-T484 WeakPolarHBondContact CA-OG1 3.49Å; G426-T484 PolarHBondContact O-OG1 3.1Å |
| 427 | S | 87.8 | Confident | 84.8 | Confident | 50 Ų | 50 | 30.6 Ų | 30.6 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -73 | -36.2 | 178.9 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | N424 L425 Q430 C431 | N424-S427 PolarHBondContact O-N 3.37Å; N424-S427 PolarHBondContact O-OG 3.26Å; L425-S427 PolarHBondContact O-N 2.94Å; S427-Q430 PolarHBondContact O-N 3.42Å; S427-C431 PolarHBondContact O-N 2.88Å; S427-C431 PolarHBondContact O-SG 3.19Å; S427-C431 VanDerWaalsContact O-SG 3.37Å |
| 428 | A | 89.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F379 P380 T383 L425 Q430 C431 M432 | F379-A428 HydrophobicContact CD1-CB 4.21Å; F379-A428 HydrophobicContact CE1-CB 4.06Å; P380-A428 HydrophobicContact CB-CB 4.09Å; P380-A428 HydrophobicContact CG-CB 4.33Å; T383-A428 HydrophobicContact CG2-CB 4.23Å; T383-A428 WeakPolarHBondContact CG2-O 3.49Å; L425-A428 WeakPolarHBondContact O-CB 3.48Å; L425-A428 PolarHBondContact O-N 3.08Å; A428-Q430 VanDerWaalsContact C-N 3.32Å; A428-Q430 PolarHBondContact O-N 3.1Å; A428-C431 PolarHBondContact O-N 3.36Å; A428-M432 WeakPolarHBondContact O-CG 3.37Å; A428-M432 PolarHBondContact O-N 3.23Å |
| 429 | L | 89.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 178.2 | -68.8 | -179.7 | 0 | 0 | 0 | 112.3 | L425 C431 M432 Y433 I455 L459 L485 | L425-L429 HydrophobicContact CD1-CD1 4.23Å; L425-L429 HydrophobicContact CD1-CD2 4.07Å; L425-L429 HydrophobicContact CD1-CG 3.84Å; L425-L429 HydrophobicContact CD2-CD1 4.36Å; L425-L429 HydrophobicContact CG-CD1 3.87Å; L425-L429 HydrophobicContact CG-CG 3.97Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 2.83Å; L429-C431 VanDerWaalsContact C-N 3.33Å; L429-C431 PolarHBondContact O-N 3.06Å; L429-M432 PolarHBondContact O-N 3.2Å; L429-Y433 HydrophobicContact CB-CD2 4.39Å; L429-Y433 HydrophobicContact CD2-CE2 4.33Å; L429-Y433 WeakPolarHBondContact O-CD2 3.19Å; L429-Y433 PolarHBondContact O-N 3.44Å; L429-I455 HydrophobicContact CD2-CG2 4.14Å; L429-L459 HydrophobicContact CD1-CD1 3.88Å; L429-L459 HydrophobicContact CD1-CD2 4.03Å; L429-L459 HydrophobicContact CD2-CD1 3.91Å; L429-L459 HydrophobicContact CD2-CD2 4.05Å; L429-L459 HydrophobicContact CD2-CG 4.36Å; L429-L485 HydrophobicContact CD1-CD2 4.23Å |
| 430 | Q | 88.7 | Confident | 81.8 | Confident | 80 Ų | 80 | 33 Ų | 33 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 175.8 | -170.4 | 174.1 | 20.2 | 0 | 0 | 112 | G426 S427 A428 T434 C488 | G426-Q430 PolarHBondContact O-N 2.95Å; G426-Q430 VanDerWaalsContact O-N 3.16Å; S427-Q430 PolarHBondContact O-N 3.42Å; A428-Q430 VanDerWaalsContact C-N 3.32Å; A428-Q430 PolarHBondContact O-N 3.1Å; Q430-T434 WeakPolarHBondContact O-CB 3.43Å; Q430-T434 WeakPolarHBondContact O-CG2 3.47Å; Q430-T434 PolarHBondContact O-N 3.5Å; Q430-T434 VanDerWaalsContact O-N 3.12Å; Q430-T434 PolarHBondContact O-OG1 3.32Å; Q430-C488 WeakPolarHBondContact CA-SG 3.31Å |
| 431 | C | 88 | Confident | 80.7 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 176.6 | -64 | 0 | 0 | 0 | 0 | 112.3 | T383 A390 S427 A428 L429 T434 A435 | T383-C431 HydrophobicContact CG2-CB 3.79Å; A390-C431 HydrophobicContact CB-CB 4.27Å; S427-C431 PolarHBondContact O-N 2.88Å; S427-C431 PolarHBondContact O-SG 3.19Å; S427-C431 VanDerWaalsContact O-SG 3.37Å; A428-C431 PolarHBondContact O-N 3.36Å; L429-C431 VanDerWaalsContact C-N 3.33Å; L429-C431 PolarHBondContact O-N 3.06Å; C431-T434 WeakPolarHBondContact CA-OG1 3.48Å; C431-T434 PolarHBondContact O-OG1 2.91Å; C431-T434 VanDerWaalsContact O-OG1 3.05Å; C431-A435 WeakPolarHBondContact O-CB 3.29Å; C431-A435 PolarHBondContact O-N 3.34Å |
| 432 | M | 88.9 | Confident | 79 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.5 | -42.5 | -177.4 | -67.7 | 179.9 | 75.2 | 0 | 0 | 113.6 | F379 T383 A390 V394 L397 A428 L429 S436 I455 | F379-M432 HydrophobicContact CE1-SD 3.95Å; F379-M432 HydrophobicContact CZ-CE 4.38Å; F379-M432 HydrophobicContact CZ-SD 3.79Å; T383-M432 HydrophobicContact CG2-CG 3.51Å; T383-M432 HydrophobicContact CG2-SD 4.29Å; A390-M432 HydrophobicContact CB-CG 4.24Å; V394-M432 HydrophobicContact CB-CE 4.26Å; V394-M432 HydrophobicContact CG2-CE 3.52Å; L397-M432 HydrophobicContact CB-CE 4.25Å; L397-M432 HydrophobicContact CD2-CE 3.69Å; L397-M432 HydrophobicContact CD2-SD 3.86Å; A428-M432 WeakPolarHBondContact O-CG 3.37Å; A428-M432 PolarHBondContact O-N 3.23Å; L429-M432 PolarHBondContact O-N 3.2Å; M432-S436 WeakPolarHBondContact O-CB 3.47Å; M432-S436 PolarHBondContact O-N 2.67Å; M432-S436 PolarHBondContact O-OG 3.02Å; M432-I455 HydrophobicContact CB-CD1 4.03Å; M432-I455 HydrophobicContact CE-CD1 4.15Å; M432-I455 HydrophobicContact CE-CG1 4.32Å |
| 433 | Y | 87.5 | Confident | 77.5 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.4 | -38.7 | 177.9 | -82.4 | -71.5 | 0 | 0 | 0 | 111.9 | L429 S436 T437 P452 I455 T456 L459 L485 C488 I489 | L429-Y433 HydrophobicContact CB-CD2 4.39Å; L429-Y433 HydrophobicContact CD2-CE2 4.33Å; L429-Y433 WeakPolarHBondContact O-CD2 3.19Å; L429-Y433 PolarHBondContact O-N 3.44Å; Y433-S436 WeakPolarHBondContact CA-OG 3.23Å; Y433-S436 PolarHBondContact O-N 3.22Å; Y433-S436 PolarHBondContact O-OG 2.94Å; Y433-S436 VanDerWaalsContact O-OG 3.06Å; Y433-T437 WeakPolarHBondContact O-CG2 3.46Å; Y433-T437 PolarHBondContact O-N 3.33Å; Y433-T437 PolarHBondContact O-OG1 2.88Å; Y433-P452 HydrophobicContact CD1-CB 4.24Å; Y433-P452 HydrophobicContact CE1-CB 4.03Å; Y433-I455 HydrophobicContact CD2-CG2 4.4Å; Y433-I455 HydrophobicContact CE1-CB 4.25Å; Y433-I455 HydrophobicContact CE1-CG2 4.26Å; Y433-I455 HydrophobicContact CE2-CB 4.44Å; Y433-I455 HydrophobicContact CE2-CG2 3.58Å; Y433-I455 WeakPolarHBondContact OH-CG2 3.48Å; Y433-T456 PolarHBondContact OH-N 3.31Å; Y433-T456 PolarHBondContact OH-OG1 3.38Å; Y433-L459 HydrophobicContact CE2-CD1 4.28Å; Y433-L485 HydrophobicContact CD2-CD2 4.21Å; Y433-L485 HydrophobicContact CE2-CD2 3.63Å; Y433-C488 HydrophobicContact CD2-CB 4.11Å; Y433-C488 HydrophobicContact CG-CB 4.13Å; Y433-I489 HydrophobicContact CD1-CG2 3.42Å; Y433-I489 VanDerWaalsContact CD1-CG2 3.42Å; Y433-I489 HydrophobicContact CD2-CG2 4.14Å; Y433-I489 HydrophobicContact CE1-CG2 3.32Å; Y433-I489 HydrophobicContact CE2-CG2 4.07Å; Y433-I489 HydrophobicContact CG-CG2 3.83Å |
| 434 | T | 84.4 | Confident | 76.1 | Confident | 69 Ų | 69 | 47.1 Ų | 47.1 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 174.5 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | Q430 C431 T437 A438 | Q430-T434 WeakPolarHBondContact O-CB 3.43Å; Q430-T434 WeakPolarHBondContact O-CG2 3.47Å; Q430-T434 PolarHBondContact O-N 3.5Å; Q430-T434 VanDerWaalsContact O-N 3.12Å; Q430-T434 PolarHBondContact O-OG1 3.32Å; C431-T434 WeakPolarHBondContact CA-OG1 3.48Å; C431-T434 PolarHBondContact O-OG1 2.91Å; C431-T434 VanDerWaalsContact O-OG1 3.05Å; T434-T437 WeakPolarHBondContact CA-OG1 3.4Å; T434-T437 PolarHBondContact O-OG1 2.93Å; T434-A438 WeakPolarHBondContact O-CB 3.39Å; T434-A438 PolarHBondContact O-N 3.38Å |
| 435 | A | 82.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K388 A390 C431 T437 A438 A439 | K388-A435 VanDerWaalsContact O-CB 3.23Å; K388-A435 WeakPolarHBondContact O-CB 3.33Å; A390-A435 HydrophobicContact CB-CB 3.96Å; C431-A435 WeakPolarHBondContact O-CB 3.29Å; C431-A435 PolarHBondContact O-N 3.34Å; A435-T437 VanDerWaalsContact C-N 3.34Å; A435-T437 PolarHBondContact O-N 3.15Å; A435-A438 PolarHBondContact O-N 3.49Å; A435-A439 PolarHBondContact O-N 3.08Å |
| 436 | S | 80.4 | Confident | 72.9 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -31.7 | -177 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | M432 Y433 S440 | M432-S436 WeakPolarHBondContact O-CB 3.47Å; M432-S436 PolarHBondContact O-N 2.67Å; M432-S436 PolarHBondContact O-OG 3.02Å; Y433-S436 WeakPolarHBondContact CA-OG 3.23Å; Y433-S436 PolarHBondContact O-N 3.22Å; Y433-S436 PolarHBondContact O-OG 2.94Å; Y433-S436 VanDerWaalsContact O-OG 3.06Å; S436-S440 PolarHBondContact O-N 3.01Å; S436-S440 PolarHBondContact O-OG 3.04Å |
| 437 | T | 74.1 | Confident | 71.1 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.6 | -36.5 | 173.4 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | Y433 T434 A435 | Y433-T437 WeakPolarHBondContact O-CG2 3.46Å; Y433-T437 PolarHBondContact O-N 3.33Å; Y433-T437 PolarHBondContact O-OG1 2.88Å; T434-T437 WeakPolarHBondContact CA-OG1 3.4Å; T434-T437 PolarHBondContact O-OG1 2.93Å; A435-T437 VanDerWaalsContact C-N 3.34Å; A435-T437 PolarHBondContact O-N 3.15Å |
| 438 | A | 68.4 | Low | 69 | Low | 57 Ų | 57 | 58.7 Ų | 58.7 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T434 A435 S440 S441 | T434-A438 WeakPolarHBondContact O-CB 3.39Å; T434-A438 PolarHBondContact O-N 3.38Å; A435-A438 PolarHBondContact O-N 3.49Å; A438-S440 PolarHBondContact O-N 3.42Å; A438-S441 PolarHBondContact O-N 2.97Å; A438-S441 PolarHBondContact O-OG 3.23Å |
| 439 | A | 60.3 | Low | 67.1 | Low | 27 Ų | 27 | 67.7 Ų | 67.7 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.6 | -27.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E391 A435 S441 N442 | E391-A439 VanDerWaalsContact CD-CB 3.42Å; E391-A439 WeakPolarHBondContact OE1-CB 3.07Å; E391-A439 WeakPolarHBondContact OE2-CB 3.13Å; A435-A439 PolarHBondContact O-N 3.08Å; A439-S441 PolarHBondContact O-N 3.33Å; A439-N442 PolarHBondContact O-N 3.34Å |
| 440 | S | 55.9 | Low | 66.5 | Low | 41 Ų | 41 | 69.3 Ų | 69.3 | 29% | 0.287 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -11 | -179.4 | -66 | 0 | 0 | 0 | 0 | 114.5 | S436 A438 N442 | S436-S440 PolarHBondContact O-N 3.01Å; S436-S440 PolarHBondContact O-OG 3.04Å; A438-S440 PolarHBondContact O-N 3.42Å; S440-N442 VanDerWaalsContact C-N 3.32Å |
| 441 | S | 55.5 | Low | 66.1 | Low | 92 Ų | 92 | 67.5 Ų | 67.5 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.4 | 174.6 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | A438 A439 | A438-S441 PolarHBondContact O-N 2.97Å; A438-S441 PolarHBondContact O-OG 3.23Å; A439-S441 PolarHBondContact O-N 3.33Å |
| 442 | N | 51.2 | Low | 65.9 | Low | 145 Ų | 145 | 67.4 Ų | 67.4 | 78% | 0.775 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -115.7 | 3.5 | -167.6 | -75.5 | -1.6 | 0 | 0 | 0 | 115.4 | A439 S440 | A439-N442 PolarHBondContact O-N 3.34Å; S440-N442 VanDerWaalsContact C-N 3.32Å |
| 443 | V | 52.4 | Low | 65.7 | Low | 79 Ų | 79 | 69.1 Ų | 69.1 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -130 | 145.8 | -173.4 | -164.8 | 0 | 0 | 0 | 0 | 113.1 | S447 R448 | V443-S447 WeakPolarHBondContact CG1-OG 3.34Å; V443-R448 PolarHBondContact O-NE 2.95Å |
| 444 | D | 51.8 | Low | 65.7 | Low | 135 Ų | 135 | 73.3 Ų | 73.3 | 72% | 0.722 | 41% | 0.414 | S | S | * | . | trans | -48.1 | 141.4 | -178.7 | -78.4 | -37.5 | 0 | 0 | 0 | 114.2 | S446 S447 | D444-S446 PolarHBondContact O-N 3.13Å; D444-S447 PolarHBondContact O-N 3.14Å; D444-S447 PolarHBondContact O-OG 2.98Å | ||
| 445 | I | 52.1 | Low | 65.9 | Low | 113 Ų | 113 | 70 Ų | 70 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -48.8 | -33.3 | -170.9 | -66.8 | 164.6 | 0 | 0 | 0 | 113.5 | S447 R448 | I445-S447 VanDerWaalsContact C-N 3.28Å; I445-S447 PolarHBondContact O-N 3.35Å; I445-R448 PolarHBondContact O-N 3.29Å |
| 446 | S | 52.3 | Low | 66.3 | Low | 119 Ų | 119 | 70.4 Ų | 70.4 | 83% | 0.832 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.3 | -23.9 | -179 | -60.6 | 0 | 0 | 0 | 0 | 114.2 | D444 | D444-S446 PolarHBondContact O-N 3.13Å |
| 447 | S | 52.1 | Low | 66.7 | Low | 47 Ų | 47 | 78.8 Ų | 78.8 | 33% | 0.329 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -92.2 | -19.9 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | V443 D444 I445 Y449 S450 | V443-S447 WeakPolarHBondContact CG1-OG 3.34Å; D444-S447 PolarHBondContact O-N 3.14Å; D444-S447 PolarHBondContact O-OG 2.98Å; I445-S447 VanDerWaalsContact C-N 3.28Å; I445-S447 PolarHBondContact O-N 3.35Å; S447-Y449 VanDerWaalsContact C-N 3.3Å; S447-Y449 PolarHBondContact O-N 2.96Å; S447-S450 WeakPolarHBondContact O-CB 3.45Å; S447-S450 PolarHBondContact O-N 2.76Å; S447-S450 PolarHBondContact O-OG 3.33Å |
| 448 | R | 43.4 | Very low | 67.5 | Low | 122 Ų | 122 | 75.1 Ų | 75.1 | 46% | 0.46 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.8 | -32.9 | -175.6 | -66.9 | -173.7 | -156.4 | 177 | 7 | 114 | V443 I445 S450 | V443-R448 PolarHBondContact O-NE 2.95Å; I445-R448 PolarHBondContact O-N 3.29Å; R448-S450 PolarHBondContact O-N 3.14Å |
| 449 | Y | 50 | Low | 68.6 | Low | 189 Ų | 189 | 72.4 Ų | 72.4 | 74% | 0.741 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.7 | 177.2 | -74.4 | -77.6 | 0 | 0 | 0 | 113.8 | S447 S453 | S447-Y449 VanDerWaalsContact C-N 3.3Å; S447-Y449 PolarHBondContact O-N 2.96Å; Y449-S453 WeakPolarHBondContact O-CB 3.27Å; Y449-S453 PolarHBondContact O-OG 2.73Å |
| 450 | S | 75.6 | Confident | 70.1 | Confident | 34 Ų | 34 | 73 Ų | 73 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -42.8 | -160.7 | 81.7 | 0 | 0 | 0 | 0 | 114.7 | S447 R448 K454 | S447-S450 WeakPolarHBondContact O-CB 3.45Å; S447-S450 PolarHBondContact O-N 2.76Å; S447-S450 PolarHBondContact O-OG 3.33Å; R448-S450 PolarHBondContact O-N 3.14Å; S450-K454 VanDerWaalsContact O-CB 3.23Å; S450-K454 WeakPolarHBondContact O-CB 2.82Å; S450-K454 WeakPolarHBondContact O-CD 3.34Å; S450-K454 WeakPolarHBondContact O-CG 3.02Å; S450-K454 PolarHBondContact O-N 3.33Å |
| 451 | I | 81.1 | Confident | 71.6 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -83.4 | -56.8 | -168.2 | -58.8 | 172.1 | 0 | 0 | 0 | 113.2 | E391 V394 S453 K454 I455 | E391-I451 HydrophobicContact CB-CD1 4.37Å; V394-I451 HydrophobicContact CG2-CG2 3.91Å; I451-S453 PolarHBondContact O-N 2.75Å; I451-K454 WeakPolarHBondContact O-CA 3.31Å; I451-K454 WeakPolarHBondContact O-CB 3.29Å; I451-K454 PolarHBondContact O-N 2.94Å; I451-I455 HydrophobicContact CG2-CD1 3.97Å; I451-I455 HydrophobicContact CG2-CG1 4.4Å; I451-I455 WeakPolarHBondContact O-CG1 3.48Å; I451-I455 PolarHBondContact O-N 2.67Å |
| 452 | P | 84.2 | Confident | 73.3 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 13% | 0.13 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.5 | -40.2 | 177.1 | -26.1 | 35.3 | 0 | 0 | 0 | 112.2 | Y433 K454 I455 T456 M493 | Y433-P452 HydrophobicContact CD1-CB 4.24Å; Y433-P452 HydrophobicContact CE1-CB 4.03Å; P452-K454 PolarHBondContact O-N 2.93Å; P452-I455 PolarHBondContact O-N 3.15Å; P452-T456 WeakPolarHBondContact O-CB 3.22Å; P452-T456 PolarHBondContact O-N 3.28Å; P452-T456 PolarHBondContact O-OG1 2.67Å; P452-M493 HydrophobicContact CB-CE 4.42Å |
| 453 | S | 84.9 | Confident | 75.2 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 112.8 | Y449 I451 R457 | Y449-S453 WeakPolarHBondContact O-CB 3.27Å; Y449-S453 PolarHBondContact O-OG 2.73Å; I451-S453 PolarHBondContact O-N 2.75Å; S453-R457 WeakPolarHBondContact O-CB 3.3Å; S453-R457 VanDerWaalsContact O-CG 3.27Å; S453-R457 WeakPolarHBondContact O-CG 3.42Å; S453-R457 PolarHBondContact O-N 3.03Å |
| 454 | K | 86.5 | Confident | 76.9 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 39% | 0.391 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 172.9 | -81.6 | 164.9 | -170 | 176.7 | 0 | 110.3 | S450 I451 P452 T456 R457 I458 | S450-K454 VanDerWaalsContact O-CB 3.23Å; S450-K454 WeakPolarHBondContact O-CB 2.82Å; S450-K454 WeakPolarHBondContact O-CD 3.34Å; S450-K454 WeakPolarHBondContact O-CG 3.02Å; S450-K454 PolarHBondContact O-N 3.33Å; I451-K454 WeakPolarHBondContact O-CA 3.31Å; I451-K454 WeakPolarHBondContact O-CB 3.29Å; I451-K454 PolarHBondContact O-N 2.94Å; P452-K454 PolarHBondContact O-N 2.93Å; K454-T456 VanDerWaalsContact C-N 3.3Å; K454-T456 PolarHBondContact O-N 3.05Å; K454-R457 PolarHBondContact O-N 2.88Å; K454-R457 VanDerWaalsContact O-N 3.15Å; K454-I458 HydrophobicContact CB-CD1 4.45Å; K454-I458 WeakPolarHBondContact O-CB 3.42Å; K454-I458 VanDerWaalsContact O-CD1 3.27Å; K454-I458 WeakPolarHBondContact O-CD1 3.18Å; K454-I458 WeakPolarHBondContact O-CG1 3.26Å; K454-I458 PolarHBondContact O-N 3.37Å |
| 455 | I | 89.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 178.5 | -60.2 | 168.3 | 0 | 0 | 0 | 110.1 | V394 L429 M432 Y433 I451 P452 R457 I458 L459 | V394-I455 HydrophobicContact CG2-CD1 4.28Å; V394-I455 HydrophobicContact CG2-CG1 4.26Å; L429-I455 HydrophobicContact CD2-CG2 4.14Å; M432-I455 HydrophobicContact CB-CD1 4.03Å; M432-I455 HydrophobicContact CE-CD1 4.15Å; M432-I455 HydrophobicContact CE-CG1 4.32Å; Y433-I455 HydrophobicContact CD2-CG2 4.4Å; Y433-I455 HydrophobicContact CE1-CB 4.25Å; Y433-I455 HydrophobicContact CE1-CG2 4.26Å; Y433-I455 HydrophobicContact CE2-CB 4.44Å; Y433-I455 HydrophobicContact CE2-CG2 3.58Å; Y433-I455 WeakPolarHBondContact OH-CG2 3.48Å; I451-I455 HydrophobicContact CG2-CD1 3.97Å; I451-I455 HydrophobicContact CG2-CG1 4.4Å; I451-I455 WeakPolarHBondContact O-CG1 3.48Å; I451-I455 PolarHBondContact O-N 2.67Å; P452-I455 PolarHBondContact O-N 3.15Å; I455-R457 PolarHBondContact O-N 2.76Å; I455-I458 WeakPolarHBondContact O-CB 3.28Å; I455-I458 PolarHBondContact O-N 2.7Å; I455-L459 HydrophobicContact CG2-CD1 4.19Å; I455-L459 HydrophobicContact CG2-CG 4.44Å; I455-L459 WeakPolarHBondContact O-CG 3.48Å; I455-L459 PolarHBondContact O-N 2.95Å |
| 456 | T | 90.1 | Very high | 80.1 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | Y433 P452 K454 I458 L459 L460 F498 | Y433-T456 PolarHBondContact OH-N 3.31Å; Y433-T456 PolarHBondContact OH-OG1 3.38Å; P452-T456 WeakPolarHBondContact O-CB 3.22Å; P452-T456 PolarHBondContact O-N 3.28Å; P452-T456 PolarHBondContact O-OG1 2.67Å; K454-T456 VanDerWaalsContact C-N 3.3Å; K454-T456 PolarHBondContact O-N 3.05Å; T456-I458 VanDerWaalsContact C-N 3.32Å; T456-I458 PolarHBondContact O-N 3.12Å; T456-L459 PolarHBondContact O-N 3.28Å; T456-L460 HydrophobicContact CG2-CD1 4.21Å; T456-L460 VanDerWaalsContact O-CG 3.27Å; T456-L460 WeakPolarHBondContact O-CG 3.5Å; T456-L460 PolarHBondContact O-N 3.44Å; T456-F498 HydrophobicContact CG2-CE2 3.72Å; T456-F498 HydrophobicContact CG2-CZ 3.81Å |
| 457 | R | 90.1 | Very high | 81.7 | Confident | 177 Ų | 177 | 50.4 Ų | 50.4 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62 | -39.6 | 177 | -73.2 | 173.4 | -174 | 169.8 | 2.9 | 112.4 | S453 K454 I455 L460 A461 | S453-R457 WeakPolarHBondContact O-CB 3.3Å; S453-R457 VanDerWaalsContact O-CG 3.27Å; S453-R457 WeakPolarHBondContact O-CG 3.42Å; S453-R457 PolarHBondContact O-N 3.03Å; K454-R457 PolarHBondContact O-N 2.88Å; K454-R457 VanDerWaalsContact O-N 3.15Å; I455-R457 PolarHBondContact O-N 2.76Å; R457-L460 PolarHBondContact O-N 3.2Å; R457-A461 PolarHBondContact O-N 2.99Å |
| 458 | I | 89.7 | Confident | 83.1 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 178.1 | -67.8 | 157.1 | 0 | 0 | 0 | 110.6 | V394 L397 I398 I401 K454 I455 T456 A461 C462 | V394-I458 HydrophobicContact CG1-CD1 4.36Å; L397-I458 HydrophobicContact CD2-CG2 4.42Å; L397-I458 HydrophobicContact CG-CG2 4.32Å; I398-I458 HydrophobicContact CD1-CD1 3.85Å; I398-I458 HydrophobicContact CG1-CD1 3.28Å; I398-I458 HydrophobicContact CG1-CG1 3.92Å; I401-I458 HydrophobicContact CB-CG2 4.41Å; I401-I458 HydrophobicContact CD1-CG2 3.3Å; I401-I458 HydrophobicContact CG1-CG2 4.41Å; I401-I458 HydrophobicContact CG2-CG2 4.42Å; K454-I458 HydrophobicContact CB-CD1 4.45Å; K454-I458 WeakPolarHBondContact O-CB 3.42Å; K454-I458 VanDerWaalsContact O-CD1 3.27Å; K454-I458 WeakPolarHBondContact O-CD1 3.18Å; K454-I458 WeakPolarHBondContact O-CG1 3.26Å; K454-I458 PolarHBondContact O-N 3.37Å; I455-I458 WeakPolarHBondContact O-CB 3.28Å; I455-I458 PolarHBondContact O-N 2.7Å; T456-I458 VanDerWaalsContact C-N 3.32Å; T456-I458 PolarHBondContact O-N 3.12Å; I458-A461 WeakPolarHBondContact O-CB 3.09Å; I458-A461 PolarHBondContact O-N 3.19Å; I458-C462 WeakPolarHBondContact O-CB 3.44Å; I458-C462 PolarHBondContact O-N 3.4Å |
| 459 | L | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 175 | -70.6 | 175.6 | 0 | 0 | 0 | 111.7 | L425 L429 Y433 I455 T456 A461 C462 N463 Y478 L482 L485 F498 | L425-L459 HydrophobicContact CD2-CD2 4.23Å; L429-L459 HydrophobicContact CD1-CD1 3.88Å; L429-L459 HydrophobicContact CD1-CD2 4.03Å; L429-L459 HydrophobicContact CD2-CD1 3.91Å; L429-L459 HydrophobicContact CD2-CD2 4.05Å; L429-L459 HydrophobicContact CD2-CG 4.36Å; Y433-L459 HydrophobicContact CE2-CD1 4.28Å; I455-L459 HydrophobicContact CG2-CD1 4.19Å; I455-L459 HydrophobicContact CG2-CG 4.44Å; I455-L459 WeakPolarHBondContact O-CG 3.48Å; I455-L459 PolarHBondContact O-N 2.95Å; T456-L459 PolarHBondContact O-N 3.28Å; L459-A461 VanDerWaalsContact C-N 3.27Å; L459-A461 PolarHBondContact O-N 2.93Å; L459-C462 WeakPolarHBondContact O-CA 3.37Å; L459-C462 WeakPolarHBondContact O-CB 3.25Å; L459-C462 PolarHBondContact O-N 3.16Å; L459-C462 VanDerWaalsContact O-N 3.08Å; L459-N463 PolarHBondContact O-N 3.01Å; L459-Y478 HydrophobicContact CD2-CE2 4.11Å; L459-Y478 PolarHBondContact O-OH 2.96Å; L459-L482 HydrophobicContact CD1-CD2 4.47Å; L459-L485 HydrophobicContact CD1-CD2 4.22Å; L459-F498 HydrophobicContact CB-CE1 3.97Å; L459-F498 HydrophobicContact CB-CZ 4.14Å; L459-F498 HydrophobicContact CD1-CE1 4.38Å; L459-F498 HydrophobicContact CD1-CZ 4.04Å |
| 460 | L | 92.3 | Very high | 86.2 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 175.1 | -66.3 | 173 | 0 | 0 | 0 | 112.3 | T456 R457 R464 S497 F498 V501 | T456-L460 HydrophobicContact CG2-CD1 4.21Å; T456-L460 VanDerWaalsContact O-CG 3.27Å; T456-L460 WeakPolarHBondContact O-CG 3.5Å; T456-L460 PolarHBondContact O-N 3.44Å; R457-L460 PolarHBondContact O-N 3.2Å; L460-R464 WeakPolarHBondContact O-CG 2.91Å; L460-R464 PolarHBondContact O-N 3.37Å; L460-S497 WeakPolarHBondContact CD2-O 3.45Å; L460-F498 HydrophobicContact CD2-CD1 4.1Å; L460-F498 HydrophobicContact CD2-CE1 4.11Å; L460-F498 HydrophobicContact CG-CE1 4.41Å; L460-V501 HydrophobicContact CD2-CG2 3.58Å |
| 461 | A | 87.9 | Confident | 86.6 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y402 R457 I458 L459 N463 R464 L465 | Y402-A461 VanDerWaalsContact OH-CB 3.29Å; Y402-A461 WeakPolarHBondContact OH-CB 3.05Å; R457-A461 PolarHBondContact O-N 2.99Å; I458-A461 WeakPolarHBondContact O-CB 3.09Å; I458-A461 PolarHBondContact O-N 3.19Å; L459-A461 VanDerWaalsContact C-N 3.27Å; L459-A461 PolarHBondContact O-N 2.93Å; A461-N463 VanDerWaalsContact C-N 3.32Å; A461-N463 PolarHBondContact O-N 2.93Å; A461-R464 WeakPolarHBondContact O-CB 3.12Å; A461-R464 PolarHBondContact O-N 2.97Å; A461-R464 VanDerWaalsContact O-N 3.1Å; A461-L465 WeakPolarHBondContact O-CG 3.1Å; A461-L465 PolarHBondContact O-N 3.4Å |
| 462 | C | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.7 | -44.8 | 176.1 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | I401 I458 L459 R464 L465 T466 Y478 | I401-C462 HydrophobicContact CD1-CB 4.21Å; I401-C462 HydrophobicContact CG2-CB 4.11Å; I458-C462 WeakPolarHBondContact O-CB 3.44Å; I458-C462 PolarHBondContact O-N 3.4Å; L459-C462 WeakPolarHBondContact O-CA 3.37Å; L459-C462 WeakPolarHBondContact O-CB 3.25Å; L459-C462 PolarHBondContact O-N 3.16Å; L459-C462 VanDerWaalsContact O-N 3.08Å; C462-R464 VanDerWaalsContact C-N 3.34Å; C462-R464 PolarHBondContact O-N 3.06Å; C462-L465 WeakPolarHBondContact O-CB 3.39Å; C462-L465 PolarHBondContact O-N 3.48Å; C462-T466 WeakPolarHBondContact O-CG2 3.46Å; C462-T466 PolarHBondContact O-N 2.7Å; C462-T466 PolarHBondContact O-OG1 3.19Å; C462-T466 VanDerWaalsContact O-OG1 3.13Å; C462-Y478 HydrophobicContact CB-CE2 3.97Å |
| 463 | N | 91.7 | Very high | 87.4 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 175.7 | -173.1 | 68.4 | 0 | 0 | 0 | 112.3 | L459 A461 L465 T466 H467 H475 Y478 V501 E505 | L459-N463 PolarHBondContact O-N 3.01Å; A461-N463 VanDerWaalsContact C-N 3.32Å; A461-N463 PolarHBondContact O-N 2.93Å; N463-L465 VanDerWaalsContact C-N 3.32Å; N463-L465 PolarHBondContact O-N 3.32Å; N463-T466 WeakPolarHBondContact CA-OG1 3.19Å; N463-T466 PolarHBondContact O-N 3Å; N463-T466 PolarHBondContact O-OG1 3.5Å; N463-H467 WeakPolarHBondContact O-CB 3.45Å; N463-H467 PolarHBondContact O-N 2.9Å; N463-H475 PolarHBondContact OD1-NE2 2.89Å; N463-H475 VanDerWaalsContact OD1-NE2 3.09Å; N463-Y478 HydrophobicContact CB-CD1 4.46Å; N463-Y478 HydrophobicContact CB-CE1 3.51Å; N463-Y478 VanDerWaalsContact OD1-CE1 3.32Å; N463-Y478 WeakPolarHBondContact OD1-CE1 3.23Å; N463-V501 HydrophobicContact CB-CG1 4.39Å; N463-V501 VanDerWaalsContact ND2-CG1 3.29Å; N463-V501 WeakPolarHBondContact ND2-CG1 3.42Å; N463-E505 PolarHBondContact ND2-OE1 3.41Å; N463-E505 PolarHBondContact OD1-OE1 2.86Å |
| 464 | R | 88.2 | Confident | 87.6 | Confident | 133 Ų | 133 | 52.1 Ų | 52.1 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 178.5 | -67.4 | 175.1 | -177.1 | 171.7 | 3.3 | 111.4 | L460 A461 C462 N468 S741 | L460-R464 WeakPolarHBondContact O-CG 2.91Å; L460-R464 PolarHBondContact O-N 3.37Å; A461-R464 WeakPolarHBondContact O-CB 3.12Å; A461-R464 PolarHBondContact O-N 2.97Å; A461-R464 VanDerWaalsContact O-N 3.1Å; C462-R464 VanDerWaalsContact C-N 3.34Å; C462-R464 PolarHBondContact O-N 3.06Å; R464-N468 PolarHBondContact O-N 3.2Å; R464-N468 PolarHBondContact O-ND2 3.32Å; R464-S741 PolarHBondContact NH1-OG 3.49Å |
| 465 | L | 85.5 | Confident | 87.8 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 176.8 | -69.1 | 173 | 0 | 0 | 0 | 111.1 | I401 I418 A461 C462 N463 T469 | I401-L465 HydrophobicContact CG2-CD1 3.96Å; I418-L465 HydrophobicContact CD1-CB 4.08Å; I418-L465 HydrophobicContact CD1-CD1 4.18Å; A461-L465 WeakPolarHBondContact O-CG 3.1Å; A461-L465 PolarHBondContact O-N 3.4Å; C462-L465 WeakPolarHBondContact O-CB 3.39Å; C462-L465 PolarHBondContact O-N 3.48Å; N463-L465 VanDerWaalsContact C-N 3.32Å; N463-L465 PolarHBondContact O-N 3.32Å; L465-T469 WeakPolarHBondContact O-CG2 3.44Å |
| 466 | T | 86.7 | Confident | 88.1 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.4 | -33.2 | -179.7 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | I418 C462 N463 N468 T469 H475 | I418-T466 HydrophobicContact CG2-CG2 3.76Å; C462-T466 WeakPolarHBondContact O-CG2 3.46Å; C462-T466 PolarHBondContact O-N 2.7Å; C462-T466 PolarHBondContact O-OG1 3.19Å; C462-T466 VanDerWaalsContact O-OG1 3.13Å; N463-T466 WeakPolarHBondContact CA-OG1 3.19Å; N463-T466 PolarHBondContact O-N 3Å; N463-T466 PolarHBondContact O-OG1 3.5Å; T466-N468 VanDerWaalsContact C-N 3.35Å; T466-N468 PolarHBondContact O-N 3.44Å; T466-T469 WeakPolarHBondContact O-CG2 3.18Å; T466-T469 PolarHBondContact O-N 3.03Å; T466-T469 PolarHBondContact O-OG1 2.96Å; T466-H475 PolarHBondContact OG1-CD2 3Å |
| 467 | H | 85.3 | Confident | 88.2 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 31% | 0.306 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 179.8 | 171.7 | -83 | 0 | 0 | 0 | 112.2 | N463 T469 E505 | N463-H467 WeakPolarHBondContact O-CB 3.45Å; N463-H467 PolarHBondContact O-N 2.9Å; H467-T469 PolarHBondContact O-N 3.31Å; H467-E505 IonicContact CD2-OE1 2.74Å; H467-E505 PolarHBondContact CD2-OE1 3.26Å; H467-E505 IonicContact CD2-OE2 3.28Å; H467-E505 PolarHBondContact CD2-OE2 3.24Å; H467-E505 IonicContact CG-OE1 3.54Å |
| 468 | N | 80.9 | Confident | 88.4 | Confident | 109 Ų | 109 | 44.2 Ų | 44.2 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 8.6 | -174.6 | -67.8 | -22.3 | 0 | 0 | 0 | 114 | R464 T466 | R464-N468 PolarHBondContact O-N 3.2Å; R464-N468 PolarHBondContact O-ND2 3.32Å; T466-N468 VanDerWaalsContact C-N 3.35Å; T466-N468 PolarHBondContact O-N 3.44Å |
| 469 | T | 78.1 | Confident | 88.7 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -101.2 | 162.2 | -172.3 | 80 | 0 | 0 | 0 | 0 | 112.6 | F415 L465 T466 H467 N471 | F415-T469 HydrophobicContact CD1-CG2 3.21Å; F415-T469 HydrophobicContact CD2-CG2 4.32Å; F415-T469 HydrophobicContact CE1-CG2 3.11Å; F415-T469 HydrophobicContact CE2-CG2 4.24Å; F415-T469 HydrophobicContact CG-CG2 3.84Å; F415-T469 HydrophobicContact CZ-CG2 3.66Å; L465-T469 WeakPolarHBondContact O-CG2 3.44Å; T466-T469 WeakPolarHBondContact O-CG2 3.18Å; T466-T469 PolarHBondContact O-N 3.03Å; T466-T469 PolarHBondContact O-OG1 2.96Å; H467-T469 PolarHBondContact O-N 3.31Å; T469-N471 VanDerWaalsContact C-N 3.27Å; T469-N471 PolarHBondContact OG1-N 3.42Å; T469-N471 VanDerWaalsContact OG1-N 3.08Å |
| 470 | S | 79.9 | Confident | 88.9 | Confident | 114 Ų | 114 | 46.9 Ų | 46.9 | 80% | 0.797 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -77.4 | -12.8 | 166.1 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | W472 | S470-W472 PolarHBondContact O-N 2.89Å; S470-W472 VanDerWaalsContact O-N 3.17Å |
| 471 | N | 84.3 | Confident | 89 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | trans | -90.9 | 71 | -176.2 | -166.3 | -2.3 | 0 | 0 | 0 | 111.6 | E419 T469 R473 C474 H475 | E419-N471 PolarHBondContact OE2-ND2 3.38Å; T469-N471 VanDerWaalsContact C-N 3.27Å; T469-N471 PolarHBondContact OG1-N 3.42Å; T469-N471 VanDerWaalsContact OG1-N 3.08Å; N471-R473 PolarHBondContact O-N 3.15Å; N471-R473 VanDerWaalsContact O-N 3.11Å; N471-C474 HydrophobicContact CB-CB 4.31Å; N471-C474 WeakPolarHBondContact O-CB 3.43Å; N471-C474 PolarHBondContact O-N 2.97Å; N471-C474 VanDerWaalsContact O-N 3.1Å; N471-C474 PolarHBondContact OD1-N 3.41Å; N471-H475 PolarHBondContact O-N 3.08Å | ||
| 472 | W | 89.8 | Confident | 89.3 | Confident | 89 Ų | 89 | 45 Ų | 45 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.7 | -23.5 | 178.6 | 61.6 | -94.8 | 0 | 0 | 0 | 113.9 | S470 H475 E476 A511 P513 C514 | S470-W472 PolarHBondContact O-N 2.89Å; S470-W472 VanDerWaalsContact O-N 3.17Å; W472-H475 PolarHBondContact O-N 2.96Å; W472-E476 VanDerWaalsContact CZ3-OE2 3.27Å; W472-E476 WeakPolarHBondContact CZ3-OE2 3.48Å; W472-E476 WeakPolarHBondContact O-CB 3.17Å; W472-E476 PolarHBondContact O-N 2.85Å; W472-A511 HydrophobicContact CB-CB 3.49Å; W472-A511 VanDerWaalsContact CB-CB 3.49Å; W472-A511 HydrophobicContact CG-CB 4Å; W472-P513 HydrophobicContact CE3-CB 3.78Å; W472-P513 HydrophobicContact CE3-CG 3.85Å; W472-P513 HydrophobicContact CH2-CB 4.5Å; W472-P513 HydrophobicContact CH2-CG 4.02Å; W472-P513 HydrophobicContact CZ3-CB 3.56Å; W472-P513 HydrophobicContact CZ3-CG 3.52Å; W472-C514 PolarHBondContact O-SG 3.12Å |
| 473 | R | 92.1 | Very high | 89.6 | Confident | 149 Ų | 149 | 46.7 Ų | 46.7 | 56% | 0.562 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.1 | -38.8 | 176.5 | -68.6 | -176.2 | 178.5 | 85.1 | -0.7 | 112.2 | N471 H475 N477 | N471-R473 PolarHBondContact O-N 3.15Å; N471-R473 VanDerWaalsContact O-N 3.11Å; R473-H475 VanDerWaalsContact C-N 3.35Å; R473-N477 VanDerWaalsContact O-CG 3.28Å; R473-N477 PolarHBondContact O-N 3.41Å; R473-N477 PolarHBondContact O-ND2 3.17Å |
| 474 | C | 88.9 | Confident | 89.6 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | N471 N477 Y478 | N471-C474 HydrophobicContact CB-CB 4.31Å; N471-C474 WeakPolarHBondContact O-CB 3.43Å; N471-C474 PolarHBondContact O-N 2.97Å; N471-C474 VanDerWaalsContact O-N 3.1Å; N471-C474 PolarHBondContact OD1-N 3.41Å; C474-N477 PolarHBondContact O-N 3.29Å; C474-Y478 WeakPolarHBondContact O-CB 3.45Å; C474-Y478 PolarHBondContact O-N 2.87Å |
| 475 | H | 92.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 177.4 | -169.7 | -162.1 | 0 | 0 | 0 | 112.8 | N463 T466 N471 W472 R473 N477 Y478 L479 E505 | N463-H475 PolarHBondContact OD1-NE2 2.89Å; N463-H475 VanDerWaalsContact OD1-NE2 3.09Å; T466-H475 PolarHBondContact OG1-CD2 3Å; N471-H475 PolarHBondContact O-N 3.08Å; W472-H475 PolarHBondContact O-N 2.96Å; R473-H475 VanDerWaalsContact C-N 3.35Å; H475-N477 PolarHBondContact O-N 3.42Å; H475-Y478 WeakPolarHBondContact O-CB 3.46Å; H475-Y478 PolarHBondContact O-N 3.31Å; H475-L479 VanDerWaalsContact O-CG 3.25Å; H475-L479 WeakPolarHBondContact O-CG 3.24Å; H475-L479 PolarHBondContact O-N 3.18Å; H475-E505 IonicContact CE1-OE1 2.72Å; H475-E505 IonicContact CE1-OE2 3.16Å; H475-E505 PolarHBondContact CE1-OE2 3.34Å; H475-E505 IonicContact NE2-OE1 3.44Å; H475-E505 IonicContact NE2-OE2 2.76Å |
| 476 | E | 94.8 | Very high | 90.1 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 23% | 0.229 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.5 | -49.3 | 174.2 | -176.4 | -174.6 | -167 | 0 | 0 | 111.5 | W472 Y478 L479 L480 P513 A517 | W472-E476 VanDerWaalsContact CZ3-OE2 3.27Å; W472-E476 WeakPolarHBondContact CZ3-OE2 3.48Å; W472-E476 WeakPolarHBondContact O-CB 3.17Å; W472-E476 PolarHBondContact O-N 2.85Å; E476-Y478 VanDerWaalsContact C-N 3.33Å; E476-Y478 PolarHBondContact O-N 3.32Å; E476-L479 PolarHBondContact O-N 2.88Å; E476-L480 HydrophobicContact CG-CD1 4.31Å; E476-L480 WeakPolarHBondContact O-CG 3.5Å; E476-L480 PolarHBondContact O-N 3.34Å; E476-P513 HydrophobicContact CG-CB 4.44Å; E476-A517 HydrophobicContact CG-CB 3.91Å |
| 477 | N | 93.2 | Very high | 90.2 | Very high | 54 Ų | 54 | 47 Ų | 47 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.8 | -71.6 | -24 | 0 | 0 | 0 | 111.8 | R473 C474 H475 L480 A481 | R473-N477 VanDerWaalsContact O-CG 3.28Å; R473-N477 PolarHBondContact O-N 3.41Å; R473-N477 PolarHBondContact O-ND2 3.17Å; C474-N477 PolarHBondContact O-N 3.29Å; H475-N477 PolarHBondContact O-N 3.42Å; N477-L480 PolarHBondContact O-N 3.47Å; N477-A481 WeakPolarHBondContact O-CB 3.46Å; N477-A481 PolarHBondContact O-N 3.38Å |
| 478 | Y | 94.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -51.2 | 174.2 | 170.3 | -97.6 | 0 | 0 | 0 | 111.6 | L425 L459 C462 N463 C474 H475 E476 L480 A481 L482 | L425-Y478 HydrophobicContact CD2-CD2 3.9Å; L425-Y478 HydrophobicContact CD2-CE2 4.22Å; L459-Y478 HydrophobicContact CD2-CE2 4.11Å; L459-Y478 PolarHBondContact O-OH 2.96Å; C462-Y478 HydrophobicContact CB-CE2 3.97Å; N463-Y478 HydrophobicContact CB-CD1 4.46Å; N463-Y478 HydrophobicContact CB-CE1 3.51Å; N463-Y478 VanDerWaalsContact OD1-CE1 3.32Å; N463-Y478 WeakPolarHBondContact OD1-CE1 3.23Å; C474-Y478 WeakPolarHBondContact O-CB 3.45Å; C474-Y478 PolarHBondContact O-N 2.87Å; H475-Y478 WeakPolarHBondContact O-CB 3.46Å; H475-Y478 PolarHBondContact O-N 3.31Å; E476-Y478 VanDerWaalsContact C-N 3.33Å; E476-Y478 PolarHBondContact O-N 3.32Å; Y478-L480 VanDerWaalsContact C-N 3.3Å; Y478-L480 PolarHBondContact O-N 2.69Å; Y478-A481 WeakPolarHBondContact O-CB 3.18Å; Y478-A481 PolarHBondContact O-N 3.14Å; Y478-A481 VanDerWaalsContact O-N 3.09Å; Y478-L482 HydrophobicContact CD1-CD1 4.35Å; Y478-L482 HydrophobicContact CE1-CD1 3.59Å; Y478-L482 HydrophobicContact CE1-CD2 4.41Å; Y478-L482 HydrophobicContact CE1-CG 4.08Å; Y478-L482 HydrophobicContact CE2-CD2 4.03Å; Y478-L482 HydrophobicContact CE2-CG 4.4Å; Y478-L482 WeakPolarHBondContact O-CG 3.45Å; Y478-L482 PolarHBondContact O-N 2.82Å; Y478-L482 VanDerWaalsContact O-N 3.15Å |
| 479 | L | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | -178.5 | -70.6 | 165.5 | 0 | 0 | 0 | 112.1 | H475 E476 L482 I502 E505 C514 A517 S518 T521 | H475-L479 VanDerWaalsContact O-CG 3.25Å; H475-L479 WeakPolarHBondContact O-CG 3.24Å; H475-L479 PolarHBondContact O-N 3.18Å; E476-L479 PolarHBondContact O-N 2.88Å; L479-L482 PolarHBondContact O-N 3.07Å; L479-I502 HydrophobicContact CD2-CD1 3.72Å; L479-E505 HydrophobicContact CD2-CB 4.48Å; L479-E505 HydrophobicContact CD2-CG 4.1Å; L479-C514 HydrophobicContact CD1-CB 3.87Å; L479-A517 HydrophobicContact CB-CB 3.94Å; L479-A517 HydrophobicContact CD1-CB 4.4Å; L479-S518 WeakPolarHBondContact CD1-OG 3.45Å; L479-T521 PolarHBondContact O-OG1 3.18Å |
| 480 | L | 95.3 | Very high | 91.2 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69 | -38.2 | 174.7 | -69.2 | 174.4 | 0 | 0 | 0 | 112.1 | E476 N477 Y478 L482 V483 A517 K520 | E476-L480 HydrophobicContact CG-CD1 4.31Å; E476-L480 WeakPolarHBondContact O-CG 3.5Å; E476-L480 PolarHBondContact O-N 3.34Å; N477-L480 PolarHBondContact O-N 3.47Å; Y478-L480 VanDerWaalsContact C-N 3.3Å; Y478-L480 PolarHBondContact O-N 2.69Å; L480-L482 PolarHBondContact O-N 3.3Å; L480-V483 WeakPolarHBondContact O-CB 3.47Å; L480-V483 VanDerWaalsContact O-CG2 3.22Å; L480-V483 WeakPolarHBondContact O-CG2 3.17Å; L480-V483 PolarHBondContact O-N 3.5Å; L480-V483 VanDerWaalsContact O-N 3.15Å; L480-A517 HydrophobicContact CD1-CB 4.5Å; L480-A517 HydrophobicContact CD2-CB 3.85Å; L480-A517 HydrophobicContact CG-CB 3.78Å; L480-K520 HydrophobicContact CD2-CB 4.37Å; L480-K520 HydrophobicContact CD2-CD 4.22Å |
| 481 | A | 93.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -29.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L425 N477 Y478 V483 T484 | L425-A481 HydrophobicContact CB-CB 3.95Å; L425-A481 HydrophobicContact CD2-CB 4.47Å; L425-A481 HydrophobicContact CG-CB 4.42Å; N477-A481 WeakPolarHBondContact O-CB 3.46Å; N477-A481 PolarHBondContact O-N 3.38Å; Y478-A481 WeakPolarHBondContact O-CB 3.18Å; Y478-A481 PolarHBondContact O-N 3.14Å; Y478-A481 VanDerWaalsContact O-N 3.09Å; A481-V483 PolarHBondContact O-N 2.97Å; A481-T484 PolarHBondContact O-N 2.74Å; A481-T484 PolarHBondContact O-OG1 3.47Å; A481-T484 VanDerWaalsContact O-OG1 3.09Å |
| 482 | L | 95.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -64.2 | -16.6 | 177.1 | -64.6 | -178.7 | 0 | 0 | 0 | 113.9 | L459 Y478 L479 L480 T484 L485 F498 I502 T521 W525 | L459-L482 HydrophobicContact CD1-CD2 4.47Å; Y478-L482 HydrophobicContact CD1-CD1 4.35Å; Y478-L482 HydrophobicContact CE1-CD1 3.59Å; Y478-L482 HydrophobicContact CE1-CD2 4.41Å; Y478-L482 HydrophobicContact CE1-CG 4.08Å; Y478-L482 HydrophobicContact CE2-CD2 4.03Å; Y478-L482 HydrophobicContact CE2-CG 4.4Å; Y478-L482 WeakPolarHBondContact O-CG 3.45Å; Y478-L482 PolarHBondContact O-N 2.82Å; Y478-L482 VanDerWaalsContact O-N 3.15Å; L479-L482 PolarHBondContact O-N 3.07Å; L480-L482 PolarHBondContact O-N 3.3Å; L482-T484 PolarHBondContact O-N 3.03Å; L482-T484 VanDerWaalsContact O-N 3.12Å; L482-L485 HydrophobicContact CB-CD1 4.32Å; L482-L485 HydrophobicContact CD2-CD1 3.8Å; L482-L485 HydrophobicContact CD2-CG 4.42Å; L482-L485 VanDerWaalsContact O-CB 3.29Å; L482-L485 WeakPolarHBondContact O-CB 3.23Å; L482-L485 WeakPolarHBondContact O-CG 3.38Å; L482-L485 PolarHBondContact O-N 3.34Å; L482-F498 HydrophobicContact CD2-CE1 4.5Å; L482-I502 HydrophobicContact CD1-CD1 4.08Å; L482-T521 HydrophobicContact CB-CG2 4.21Å; L482-W525 HydrophobicContact CB-CH2 4.36Å; L482-W525 HydrophobicContact CB-CZ2 3.87Å; L482-W525 VanDerWaalsContact O-CZ2 3.26Å; L482-W525 WeakPolarHBondContact O-CZ2 3.4Å; L482-W525 PolarHBondContact O-NE1 3.36Å |
| 483 | V | 94.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -51.6 | -37.7 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | L480 A481 L485 T486 T521 T524 | L480-V483 WeakPolarHBondContact O-CB 3.47Å; L480-V483 VanDerWaalsContact O-CG2 3.22Å; L480-V483 WeakPolarHBondContact O-CG2 3.17Å; L480-V483 PolarHBondContact O-N 3.5Å; L480-V483 VanDerWaalsContact O-N 3.15Å; A481-V483 PolarHBondContact O-N 2.97Å; V483-L485 PolarHBondContact O-N 2.78Å; V483-L485 VanDerWaalsContact O-N 3.14Å; V483-T486 PolarHBondContact O-N 3.34Å; V483-T486 PolarHBondContact O-OG1 2.97Å; V483-T521 HydrophobicContact CG2-CG2 4.03Å; V483-T521 WeakPolarHBondContact CG2-OG1 2.98Å; V483-T524 HydrophobicContact CG1-CG2 3.73Å |
| 484 | T | 92.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 19% | 0.19 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -63.8 | -19.4 | -177.8 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | G426 A481 L482 T486 E487 C488 | G426-T484 WeakPolarHBondContact CA-OG1 3.49Å; G426-T484 PolarHBondContact O-OG1 3.1Å; A481-T484 PolarHBondContact O-N 2.74Å; A481-T484 PolarHBondContact O-OG1 3.47Å; A481-T484 VanDerWaalsContact O-OG1 3.09Å; L482-T484 PolarHBondContact O-N 3.03Å; L482-T484 VanDerWaalsContact O-N 3.12Å; T484-T486 PolarHBondContact O-N 3.07Å; T484-T486 VanDerWaalsContact O-N 3.13Å; T484-E487 PolarHBondContact O-N 3.29Å; T484-C488 PolarHBondContact O-SG 2.89Å |
| 485 | L | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -30 | 178.5 | -67.4 | -177.7 | 0 | 0 | 0 | 113 | L429 Y433 L459 L482 V483 E487 C488 I489 L494 F498 W525 | L429-L485 HydrophobicContact CD1-CD2 4.23Å; Y433-L485 HydrophobicContact CD2-CD2 4.21Å; Y433-L485 HydrophobicContact CE2-CD2 3.63Å; L459-L485 HydrophobicContact CD1-CD2 4.22Å; L482-L485 HydrophobicContact CB-CD1 4.32Å; L482-L485 HydrophobicContact CD2-CD1 3.8Å; L482-L485 HydrophobicContact CD2-CG 4.42Å; L482-L485 VanDerWaalsContact O-CB 3.29Å; L482-L485 WeakPolarHBondContact O-CB 3.23Å; L482-L485 WeakPolarHBondContact O-CG 3.38Å; L482-L485 PolarHBondContact O-N 3.34Å; V483-L485 PolarHBondContact O-N 2.78Å; V483-L485 VanDerWaalsContact O-N 3.14Å; L485-E487 PolarHBondContact O-N 2.86Å; L485-E487 VanDerWaalsContact O-N 3.09Å; L485-C488 PolarHBondContact O-N 3.35Å; L485-I489 HydrophobicContact CB-CD1 4.25Å; L485-I489 HydrophobicContact CB-CG1 4.21Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.19Å; L485-I489 PolarHBondContact O-N 3.4Å; L485-L494 HydrophobicContact CB-CD1 3.92Å; L485-L494 HydrophobicContact CD1-CD1 4.5Å; L485-F498 HydrophobicContact CD1-CD1 3.95Å; L485-F498 HydrophobicContact CD1-CD2 3.87Å; L485-F498 HydrophobicContact CD1-CE1 3.79Å; L485-F498 HydrophobicContact CD1-CE2 3.7Å; L485-F498 HydrophobicContact CD1-CG 3.98Å; L485-F498 HydrophobicContact CD1-CZ 3.66Å; L485-W525 HydrophobicContact CB-CZ2 4.43Å; L485-W525 HydrophobicContact CD1-CZ2 4.27Å |
| 486 | T | 91 | Very high | 92.5 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -25.2 | 175.4 | 46.3 | 0 | 0 | 0 | 0 | 114.5 | V483 T484 L494 W525 K528 | V483-T486 PolarHBondContact O-N 3.34Å; V483-T486 PolarHBondContact O-OG1 2.97Å; T484-T486 PolarHBondContact O-N 3.07Å; T484-T486 VanDerWaalsContact O-N 3.13Å; T486-L494 HydrophobicContact CG2-CD2 3.85Å; T486-W525 HydrophobicContact CG2-CB 4.08Å; T486-W525 HydrophobicContact CG2-CG 3.7Å; T486-K528 HydrophobicContact CG2-CB 4.41Å; T486-K528 HydrophobicContact CG2-CD 4.15Å; T486-K528 PolarHBondContact OG1-NZ 3.23Å |
| 487 | E | 88.6 | Confident | 92.4 | Very high | 118 Ų | 118 | 38.8 Ų | 38.8 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -96.9 | -10.4 | -179 | -66.5 | 166.9 | -162.1 | 0 | 0 | 112.2 | T484 L485 K528 | T484-E487 PolarHBondContact O-N 3.29Å; L485-E487 PolarHBondContact O-N 2.86Å; L485-E487 VanDerWaalsContact O-N 3.09Å; E487-K528 IonicContact OE1-NZ 3.1Å; E487-K528 PolarHBondContact OE1-NZ 3.14Å |
| 488 | C | 86.7 | Confident | 92.5 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -116.1 | -28.9 | -164.8 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | Q430 Y433 T484 L485 | Q430-C488 WeakPolarHBondContact CA-SG 3.31Å; Y433-C488 HydrophobicContact CD2-CB 4.11Å; Y433-C488 HydrophobicContact CG-CB 4.13Å; T484-C488 PolarHBondContact O-SG 2.89Å; L485-C488 PolarHBondContact O-N 3.35Å |
| 489 | I | 88.9 | Confident | 92.6 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -124.8 | 151.9 | -176.1 | 64.1 | 169.5 | 0 | 0 | 0 | 112.4 | Y433 L485 M493 L494 F498 | Y433-I489 HydrophobicContact CD1-CG2 3.42Å; Y433-I489 VanDerWaalsContact CD1-CG2 3.42Å; Y433-I489 HydrophobicContact CD2-CG2 4.14Å; Y433-I489 HydrophobicContact CE1-CG2 3.32Å; Y433-I489 HydrophobicContact CE2-CG2 4.07Å; Y433-I489 HydrophobicContact CG-CG2 3.83Å; L485-I489 HydrophobicContact CB-CD1 4.25Å; L485-I489 HydrophobicContact CB-CG1 4.21Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.19Å; L485-I489 PolarHBondContact O-N 3.4Å; I489-M493 HydrophobicContact CB-SD 4.3Å; I489-M493 HydrophobicContact CD1-CG 4.36Å; I489-M493 HydrophobicContact CD1-SD 4.49Å; I489-M493 HydrophobicContact CG2-SD 4.33Å; I489-L494 HydrophobicContact CD1-CB 3.81Å; I489-L494 HydrophobicContact CD1-CD1 3.8Å; I489-L494 HydrophobicContact CD1-CG 4.42Å; I489-L494 HydrophobicContact CG1-CB 4.09Å; I489-L494 HydrophobicContact CG1-CD1 4.25Å; I489-F498 HydrophobicContact CD1-CD2 3.92Å; I489-F498 HydrophobicContact CD1-CE2 3.82Å |
| 490 | P | 89.7 | Confident | 92.5 | Very high | 80 Ų | 80 | 41.3 Ų | 41.3 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | trans | -60.2 | 149.3 | 174.5 | -22.6 | 33.6 | 0 | 0 | 0 | 112.7 | D492 M493 L494 | P490-D492 VanDerWaalsContact C-N 3.33Å; P490-D492 PolarHBondContact O-N 3.43Å; P490-M493 PolarHBondContact O-N 3.46Å; P490-M493 VanDerWaalsContact O-N 3.15Å; P490-L494 PolarHBondContact O-N 3.34Å | ||
| 491 | E | 92.1 | Very high | 92.6 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 19% | 0.192 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.6 | -44.6 | -177.8 | -173.6 | 173.7 | 146.4 | 0 | 0 | 112.6 | M493 L494 V495 L529 K530 N531 N534 | E491-M493 VanDerWaalsContact C-N 3.31Å; E491-M493 PolarHBondContact O-N 3.04Å; E491-L494 WeakPolarHBondContact O-CB 3.25Å; E491-L494 PolarHBondContact O-N 3.49Å; E491-V495 HydrophobicContact CG-CG2 4.29Å; E491-V495 WeakPolarHBondContact O-CG2 3.43Å; E491-V495 PolarHBondContact O-N 3.05Å; E491-L529 HydrophobicContact CG-CD2 3.58Å; E491-K530 PolarHBondContact OE2-N 3.29Å; E491-N531 WeakPolarHBondContact OE1-CB 3.1Å; E491-N531 PolarHBondContact OE1-N 3.11Å; E491-N531 VanDerWaalsContact OE1-N 3.13Å; E491-N531 PolarHBondContact OE2-N 2.95Å; E491-N534 PolarHBondContact OE1-ND2 3.14Å |
| 492 | D | 91.1 | Very high | 92.7 | Very high | 120 Ų | 120 | 39.2 Ų | 39.2 | 64% | 0.642 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.3 | -39.6 | -179.3 | -59.8 | -37.5 | 0 | 0 | 0 | 112.2 | P490 A496 | P490-D492 VanDerWaalsContact C-N 3.33Å; P490-D492 PolarHBondContact O-N 3.43Å; D492-A496 WeakPolarHBondContact O-CB 3.45Å; D492-A496 PolarHBondContact O-N 2.9Å |
| 493 | M | 90.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 40.9 Ų | 40.9 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.9 | -41.4 | 177.2 | -174.9 | -175.1 | -71.8 | 0 | 0 | 111.2 | P452 I489 P490 E491 S497 | P452-M493 HydrophobicContact CB-CE 4.42Å; I489-M493 HydrophobicContact CB-SD 4.3Å; I489-M493 HydrophobicContact CD1-CG 4.36Å; I489-M493 HydrophobicContact CD1-SD 4.49Å; I489-M493 HydrophobicContact CG2-SD 4.33Å; P490-M493 PolarHBondContact O-N 3.46Å; P490-M493 VanDerWaalsContact O-N 3.15Å; E491-M493 VanDerWaalsContact C-N 3.31Å; E491-M493 PolarHBondContact O-N 3.04Å; M493-S497 WeakPolarHBondContact O-CB 3.47Å; M493-S497 PolarHBondContact O-N 3.29Å; M493-S497 PolarHBondContact O-OG 3.46Å |
| 494 | L | 93.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 178 | -177 | 68.8 | 0 | 0 | 0 | 110.8 | L485 T486 I489 P490 E491 F498 F499 W525 | L485-L494 HydrophobicContact CB-CD1 3.92Å; L485-L494 HydrophobicContact CD1-CD1 4.5Å; T486-L494 HydrophobicContact CG2-CD2 3.85Å; I489-L494 HydrophobicContact CD1-CB 3.81Å; I489-L494 HydrophobicContact CD1-CD1 3.8Å; I489-L494 HydrophobicContact CD1-CG 4.42Å; I489-L494 HydrophobicContact CG1-CB 4.09Å; I489-L494 HydrophobicContact CG1-CD1 4.25Å; P490-L494 PolarHBondContact O-N 3.34Å; E491-L494 WeakPolarHBondContact O-CB 3.25Å; E491-L494 PolarHBondContact O-N 3.49Å; L494-F498 HydrophobicContact CD1-CB 4.29Å; L494-F498 HydrophobicContact CD1-CD2 4.3Å; L494-F498 PolarHBondContact O-N 2.71Å; L494-F499 HydrophobicContact CD2-CE2 3.92Å; L494-F499 HydrophobicContact CG-CD2 4.13Å; L494-F499 HydrophobicContact CG-CE2 3.86Å; L494-F499 PolarHBondContact O-N 2.79Å; L494-W525 HydrophobicContact CD1-CD2 4.09Å; L494-W525 HydrophobicContact CD1-CE3 4.18Å; L494-W525 HydrophobicContact CD1-CH2 4.1Å; L494-W525 HydrophobicContact CD1-CZ2 3.94Å; L494-W525 HydrophobicContact CD1-CZ3 4.2Å; L494-W525 HydrophobicContact CD2-CD2 4.34Å; L494-W525 HydrophobicContact CD2-CG 4.3Å; L494-W525 HydrophobicContact CG-CD2 4.49Å; L494-W525 HydrophobicContact CG-CE3 4.47Å |
| 495 | V | 94.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -66.2 | -46.1 | -179.6 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | E491 S497 F499 L529 N534 | E491-V495 HydrophobicContact CG-CG2 4.29Å; E491-V495 WeakPolarHBondContact O-CG2 3.43Å; E491-V495 PolarHBondContact O-N 3.05Å; V495-S497 PolarHBondContact O-N 2.99Å; V495-F499 HydrophobicContact CB-CD2 4.31Å; V495-F499 HydrophobicContact CG2-CD2 3.95Å; V495-F499 HydrophobicContact CG2-CE2 3.92Å; V495-F499 HydrophobicContact CG2-CZ 4.49Å; V495-L529 HydrophobicContact CG2-CD2 4.05Å; V495-N534 HydrophobicContact CG2-CB 4.34Å |
| 496 | A | 92.5 | Very high | 93.3 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 61% | 0.612 | 23% | 0.234 | S | C | * | . | I | π-helix | trans | -66.2 | -38.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | D492 | D492-A496 WeakPolarHBondContact O-CB 3.45Å; D492-A496 PolarHBondContact O-N 2.9Å |
| 497 | S | 92.2 | Very high | 93.5 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -97.7 | -41.7 | -169.2 | -49.8 | 0 | 0 | 0 | 0 | 113.8 | L460 M493 V495 | L460-S497 WeakPolarHBondContact CD2-O 3.45Å; M493-S497 WeakPolarHBondContact O-CB 3.47Å; M493-S497 PolarHBondContact O-N 3.29Å; M493-S497 PolarHBondContact O-OG 3.46Å; V495-S497 PolarHBondContact O-N 2.99Å |
| 498 | F | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -111.7 | -31 | -165.6 | -67.9 | -80.6 | 0 | 0 | 0 | 114.5 | T456 L459 L460 L482 L485 I489 L494 N500 V501 I502 W525 | T456-F498 HydrophobicContact CG2-CE2 3.72Å; T456-F498 HydrophobicContact CG2-CZ 3.81Å; L459-F498 HydrophobicContact CB-CE1 3.97Å; L459-F498 HydrophobicContact CB-CZ 4.14Å; L459-F498 HydrophobicContact CD1-CE1 4.38Å; L459-F498 HydrophobicContact CD1-CZ 4.04Å; L460-F498 HydrophobicContact CD2-CD1 4.1Å; L460-F498 HydrophobicContact CD2-CE1 4.11Å; L460-F498 HydrophobicContact CG-CE1 4.41Å; L482-F498 HydrophobicContact CD2-CE1 4.5Å; L485-F498 HydrophobicContact CD1-CD1 3.95Å; L485-F498 HydrophobicContact CD1-CD2 3.87Å; L485-F498 HydrophobicContact CD1-CE1 3.79Å; L485-F498 HydrophobicContact CD1-CE2 3.7Å; L485-F498 HydrophobicContact CD1-CG 3.98Å; L485-F498 HydrophobicContact CD1-CZ 3.66Å; I489-F498 HydrophobicContact CD1-CD2 3.92Å; I489-F498 HydrophobicContact CD1-CE2 3.82Å; L494-F498 HydrophobicContact CD1-CB 4.29Å; L494-F498 HydrophobicContact CD1-CD2 4.3Å; L494-F498 PolarHBondContact O-N 2.71Å; F498-N500 VanDerWaalsContact C-N 3.29Å; F498-N500 PolarHBondContact O-N 3.1Å; F498-V501 WeakPolarHBondContact O-CB 3.34Å; F498-V501 PolarHBondContact O-N 3.23Å; F498-V501 VanDerWaalsContact O-N 3.09Å; F498-I502 PolarHBondContact O-N 3.17Å; F498-W525 HydrophobicContact CB-CH2 3.56Å; F498-W525 HydrophobicContact CB-CZ3 3.68Å; F498-W525 HydrophobicContact CG-CH2 4.32Å |
| 499 | F | 96.4 | Very high | 94 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -57.9 | -42.6 | -179.2 | -95.6 | -107.2 | 0 | 0 | 0 | 112.2 | L494 V495 V501 I502 K503 F522 W525 L529 S538 | L494-F499 HydrophobicContact CD2-CE2 3.92Å; L494-F499 HydrophobicContact CG-CD2 4.13Å; L494-F499 HydrophobicContact CG-CE2 3.86Å; L494-F499 PolarHBondContact O-N 2.79Å; V495-F499 HydrophobicContact CB-CD2 4.31Å; V495-F499 HydrophobicContact CG2-CD2 3.95Å; V495-F499 HydrophobicContact CG2-CE2 3.92Å; V495-F499 HydrophobicContact CG2-CZ 4.49Å; F499-V501 VanDerWaalsContact C-N 3.31Å; F499-V501 PolarHBondContact O-N 3.23Å; F499-I502 PolarHBondContact O-N 3.22Å; F499-K503 WeakPolarHBondContact O-CB 3.25Å; F499-K503 VanDerWaalsContact O-CG 3.24Å; F499-K503 WeakPolarHBondContact O-CG 3.41Å; F499-K503 PolarHBondContact O-N 2.82Å; F499-F522 HydrophobicContact CD1-CD2 4.19Å; F499-F522 AromaticContact CD1-CE2 3.68Å; F499-F522 HydrophobicContact CD1-CE2 3.68Å; F499-F522 HydrophobicContact CD1-CZ 4.48Å; F499-F522 HydrophobicContact CE1-CD2 4.3Å; F499-F522 AromaticContact CE1-CE2 3.9Å; F499-F522 HydrophobicContact CE1-CE2 3.9Å; F499-F522 HydrophobicContact CE1-CZ 4.44Å; F499-W525 AromaticContact CD2-CE3 3.79Å; F499-W525 HydrophobicContact CD2-CE3 3.79Å; F499-W525 HydrophobicContact CD2-CZ3 4.26Å; F499-W525 HydrophobicContact CE2-CB 3.94Å; F499-W525 HydrophobicContact CE2-CD2 4.31Å; F499-W525 AromaticContact CE2-CE3 3.7Å; F499-W525 HydrophobicContact CE2-CE3 3.7Å; F499-W525 HydrophobicContact CE2-CG 4.48Å; F499-W525 HydrophobicContact CG-CE3 4.44Å; F499-W525 HydrophobicContact CZ-CB 3.67Å; F499-W525 HydrophobicContact CZ-CE3 4.24Å; F499-L529 HydrophobicContact CE1-CD1 4.27Å; F499-L529 HydrophobicContact CE2-CD2 4.26Å; F499-L529 HydrophobicContact CZ-CD1 3.87Å; F499-L529 HydrophobicContact CZ-CD2 4.04Å; F499-L529 HydrophobicContact CZ-CG 4.23Å; F499-S538 WeakPolarHBondContact CE1-OG 3.35Å |
| 500 | N | 94.6 | Very high | 94.1 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.3 | -35.6 | 178.4 | -70 | -28 | 0 | 0 | 0 | 112.5 | F498 D504 | F498-N500 VanDerWaalsContact C-N 3.29Å; F498-N500 PolarHBondContact O-N 3.1Å; N500-D504 WeakPolarHBondContact O-CB 2.88Å; N500-D504 PolarHBondContact O-N 3.27Å |
| 501 | V | 95.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -50.1 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | L460 N463 F498 F499 K503 D504 E505 | L460-V501 HydrophobicContact CD2-CG2 3.58Å; N463-V501 HydrophobicContact CB-CG1 4.39Å; N463-V501 VanDerWaalsContact ND2-CG1 3.29Å; N463-V501 WeakPolarHBondContact ND2-CG1 3.42Å; F498-V501 WeakPolarHBondContact O-CB 3.34Å; F498-V501 PolarHBondContact O-N 3.23Å; F498-V501 VanDerWaalsContact O-N 3.09Å; F499-V501 VanDerWaalsContact C-N 3.31Å; F499-V501 PolarHBondContact O-N 3.23Å; V501-K503 VanDerWaalsContact C-N 3.31Å; V501-K503 PolarHBondContact O-N 2.97Å; V501-D504 WeakPolarHBondContact O-CB 2.86Å; V501-D504 PolarHBondContact O-N 3.29Å; V501-D504 VanDerWaalsContact O-N 3.12Å; V501-E505 HydrophobicContact CG1-CG 4.4Å; V501-E505 VanDerWaalsContact O-CG 3.31Å; V501-E505 WeakPolarHBondContact O-CG 3.34Å; V501-E505 PolarHBondContact O-N 2.97Å |
| 502 | I | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 179.6 | -63.8 | -56.7 | 0 | 0 | 0 | 111.9 | L479 L482 F498 F499 D504 E505 I506 S518 T521 F522 W525 | L479-I502 HydrophobicContact CD2-CD1 3.72Å; L482-I502 HydrophobicContact CD1-CD1 4.08Å; F498-I502 PolarHBondContact O-N 3.17Å; F499-I502 PolarHBondContact O-N 3.22Å; I502-D504 VanDerWaalsContact C-N 3.34Å; I502-D504 PolarHBondContact O-N 3.41Å; I502-E505 PolarHBondContact O-N 3.05Å; I502-I506 HydrophobicContact CG2-CD1 4.11Å; I502-I506 HydrophobicContact CG2-CG1 4.44Å; I502-I506 VanDerWaalsContact O-CG1 3.29Å; I502-I506 WeakPolarHBondContact O-CG1 3.48Å; I502-I506 PolarHBondContact O-N 3.46Å; I502-S518 VanDerWaalsContact CG2-O 3.31Å; I502-S518 WeakPolarHBondContact CG2-O 3.32Å; I502-T521 HydrophobicContact CD1-CG2 4.34Å; I502-T521 HydrophobicContact CG1-CG2 4.48Å; I502-F522 HydrophobicContact CG2-CB 3.71Å; I502-F522 HydrophobicContact CG2-CD2 4.07Å; I502-F522 HydrophobicContact CG2-CG 4.37Å; I502-W525 HydrophobicContact CB-CZ3 4.22Å; I502-W525 HydrophobicContact CD1-CH2 4.29Å; I502-W525 HydrophobicContact CG1-CE3 4.33Å; I502-W525 HydrophobicContact CG1-CH2 3.6Å; I502-W525 HydrophobicContact CG1-CZ3 3.39Å |
| 503 | K | 97.5 | Very high | 94.6 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 172.9 | -74.2 | 175.7 | -179.9 | -179.9 | 0 | 111.5 | F499 V501 I506 L507 F522 F541 | F499-K503 WeakPolarHBondContact O-CB 3.25Å; F499-K503 VanDerWaalsContact O-CG 3.24Å; F499-K503 WeakPolarHBondContact O-CG 3.41Å; F499-K503 PolarHBondContact O-N 2.82Å; V501-K503 VanDerWaalsContact C-N 3.31Å; V501-K503 PolarHBondContact O-N 2.97Å; K503-I506 PolarHBondContact O-N 3Å; K503-L507 VanDerWaalsContact O-CG 3.3Å; K503-L507 WeakPolarHBondContact O-CG 3.16Å; K503-L507 PolarHBondContact O-N 3.26Å; K503-F522 HydrophobicContact CD-CE2 4.43Å; K503-F522 HydrophobicContact CG-CD2 4.41Å; K503-F522 HydrophobicContact CG-CE2 3.81Å; K503-F541 HydrophobicContact CB-CD2 4.47Å; K503-F541 HydrophobicContact CB-CE1 4.39Å; K503-F541 HydrophobicContact CB-CE2 3.87Å; K503-F541 HydrophobicContact CB-CZ 3.82Å; K503-F541 HydrophobicContact CD-CD1 4.43Å; K503-F541 HydrophobicContact CD-CD2 3.87Å; K503-F541 HydrophobicContact CD-CE2 4.13Å; K503-F541 HydrophobicContact CD-CG 4.02Å; K503-F541 HydrophobicContact CG-CD1 4.02Å; K503-F541 HydrophobicContact CG-CD2 3.99Å; K503-F541 HydrophobicContact CG-CE1 3.86Å; K503-F541 HydrophobicContact CG-CE2 3.81Å; K503-F541 HydrophobicContact CG-CG 4.08Å; K503-F541 HydrophobicContact CG-CZ 3.75Å |
| 504 | D | 96.1 | Very high | 94.9 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 176 | -166.4 | 56.7 | 0 | 0 | 0 | 111.2 | N500 V501 I502 I506 L507 H508 | N500-D504 WeakPolarHBondContact O-CB 2.88Å; N500-D504 PolarHBondContact O-N 3.27Å; V501-D504 WeakPolarHBondContact O-CB 2.86Å; V501-D504 PolarHBondContact O-N 3.29Å; V501-D504 VanDerWaalsContact O-N 3.12Å; I502-D504 VanDerWaalsContact C-N 3.34Å; I502-D504 PolarHBondContact O-N 3.41Å; D504-I506 PolarHBondContact O-N 3.14Å; D504-L507 PolarHBondContact O-N 3.07Å; D504-L507 VanDerWaalsContact O-N 3.15Å; D504-H508 WeakPolarHBondContact O-CB 3.27Å; D504-H508 PolarHBondContact O-N 2.94Å; D504-H508 IonicContact OD1-CD2 2.65Å; D504-H508 PolarHBondContact OD1-CD2 2.91Å |
| 505 | E | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 178.1 | -65.2 | -63 | 166.9 | 0 | 0 | 112.6 | N463 H467 H475 L479 V501 I502 L507 V509 S518 | N463-E505 PolarHBondContact ND2-OE1 3.41Å; N463-E505 PolarHBondContact OD1-OE1 2.86Å; H467-E505 IonicContact CD2-OE1 2.74Å; H467-E505 PolarHBondContact CD2-OE1 3.26Å; H467-E505 IonicContact CD2-OE2 3.28Å; H467-E505 PolarHBondContact CD2-OE2 3.24Å; H467-E505 IonicContact CG-OE1 3.54Å; H475-E505 IonicContact CE1-OE1 2.72Å; H475-E505 IonicContact CE1-OE2 3.16Å; H475-E505 PolarHBondContact CE1-OE2 3.34Å; H475-E505 IonicContact NE2-OE1 3.44Å; H475-E505 IonicContact NE2-OE2 2.76Å; L479-E505 HydrophobicContact CD2-CB 4.48Å; L479-E505 HydrophobicContact CD2-CG 4.1Å; V501-E505 HydrophobicContact CG1-CG 4.4Å; V501-E505 VanDerWaalsContact O-CG 3.31Å; V501-E505 WeakPolarHBondContact O-CG 3.34Å; V501-E505 PolarHBondContact O-N 2.97Å; I502-E505 PolarHBondContact O-N 3.05Å; E505-L507 PolarHBondContact O-N 3.49Å; E505-V509 VanDerWaalsContact O-CB 3.29Å; E505-V509 WeakPolarHBondContact O-CB 3.16Å; E505-V509 WeakPolarHBondContact O-CG1 3.48Å; E505-V509 PolarHBondContact O-N 2.95Å; E505-V509 VanDerWaalsContact O-N 3.15Å; E505-V509 WeakPolarHBondContact OE2-CB 3.29Å; E505-V509 WeakPolarHBondContact OE2-CG2 3.24Å; E505-S518 VanDerWaalsContact CB-OG 3.3Å; E505-S518 WeakPolarHBondContact CB-OG 3.22Å |
| 506 | I | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -41 | 175 | -69.7 | 169.4 | 0 | 0 | 0 | 111 | I502 K503 D504 I519 F522 F541 L546 | I502-I506 HydrophobicContact CG2-CD1 4.11Å; I502-I506 HydrophobicContact CG2-CG1 4.44Å; I502-I506 VanDerWaalsContact O-CG1 3.29Å; I502-I506 WeakPolarHBondContact O-CG1 3.48Å; I502-I506 PolarHBondContact O-N 3.46Å; K503-I506 PolarHBondContact O-N 3Å; D504-I506 PolarHBondContact O-N 3.14Å; I506-I519 HydrophobicContact CD1-CG1 4.25Å; I506-I519 HydrophobicContact CG1-CG1 4.03Å; I506-I519 HydrophobicContact CG2-CG1 4.23Å; I506-F522 HydrophobicContact CD1-CB 3.8Å; I506-F522 HydrophobicContact CD1-CD1 4.45Å; I506-F522 HydrophobicContact CD1-CD2 4.27Å; I506-F522 HydrophobicContact CD1-CG 3.93Å; I506-F541 HydrophobicContact CD1-CE1 4.17Å; I506-L546 HydrophobicContact CG2-CD1 4.42Å |
| 507 | L | 95.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -81.7 | -40.2 | -173.6 | -68 | 177.8 | 0 | 0 | 0 | 113.1 | K503 D504 E505 F541 T545 L546 | K503-L507 VanDerWaalsContact O-CG 3.3Å; K503-L507 WeakPolarHBondContact O-CG 3.16Å; K503-L507 PolarHBondContact O-N 3.26Å; D504-L507 PolarHBondContact O-N 3.07Å; D504-L507 VanDerWaalsContact O-N 3.15Å; E505-L507 PolarHBondContact O-N 3.49Å; L507-F541 HydrophobicContact CD1-CE2 4.08Å; L507-F541 HydrophobicContact CD1-CZ 4.42Å; L507-F541 HydrophobicContact CD2-CZ 4.42Å; L507-F541 HydrophobicContact CG-CE2 4.35Å; L507-F541 HydrophobicContact CG-CZ 4.22Å; L507-T545 HydrophobicContact CD1-CG2 4.36Å; L507-T545 HydrophobicContact CD2-CG2 4.39Å; L507-L546 HydrophobicContact CD2-CD2 3.5Å |
| 508 | H | 93.2 | Very high | 95.6 | Very high | 102 Ų | 102 | 41.2 Ų | 41.2 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -119.6 | -19.2 | -159.5 | -63.7 | -64.7 | 0 | 0 | 0 | 114.8 | D504 R510 | D504-H508 WeakPolarHBondContact O-CB 3.27Å; D504-H508 PolarHBondContact O-N 2.94Å; D504-H508 IonicContact OD1-CD2 2.65Å; D504-H508 PolarHBondContact OD1-CD2 2.91Å; H508-R510 PolarHBondContact O-N 3.02Å |
| 509 | V | 93.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | trans | -62.1 | 139.2 | 180 | 80.9 | 0 | 0 | 0 | 0 | 110.6 | E505 C514 R515 | E505-V509 VanDerWaalsContact O-CB 3.29Å; E505-V509 WeakPolarHBondContact O-CB 3.16Å; E505-V509 WeakPolarHBondContact O-CG1 3.48Å; E505-V509 PolarHBondContact O-N 2.95Å; E505-V509 VanDerWaalsContact O-N 3.15Å; E505-V509 WeakPolarHBondContact OE2-CB 3.29Å; E505-V509 WeakPolarHBondContact OE2-CG2 3.24Å; V509-C514 HydrophobicContact CB-CB 4.4Å; V509-C514 HydrophobicContact CG1-CB 3.76Å; V509-C514 HydrophobicContact CG2-CB 3.74Å; V509-R515 HydrophobicContact CG1-CB 4.25Å; V509-R515 HydrophobicContact CG1-CG 3.29Å; V509-R515 VanDerWaalsContact O-CZ 3.27Å; V509-R515 PolarHBondContact O-NE 2.85Å; V509-R515 PolarHBondContact O-NH2 2.82Å | ||
| 510 | R | 90.9 | Very high | 95.8 | Very high | 231 Ų | 231 | 45.1 Ų | 45.1 | 87% | 0.872 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -75.3 | -39.5 | -174.9 | 178.3 | 179.3 | 161.6 | -175.6 | -4.4 | 112.6 | H508 | H508-R510 PolarHBondContact O-N 3.02Š|
| 511 | A | 93.3 | Very high | 95.9 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | trans | -80.2 | 125 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W472 C514 R515 | W472-A511 HydrophobicContact CB-CB 3.49Å; W472-A511 VanDerWaalsContact CB-CB 3.49Å; W472-A511 HydrophobicContact CG-CB 4Å; A511-C514 HydrophobicContact CB-CB 4.29Å; A511-C514 WeakPolarHBondContact O-CB 3.34Å; A511-C514 PolarHBondContact O-N 2.57Å; A511-R515 PolarHBondContact O-N 3.44Å | ||
| 512 | W | 94 | Very high | 96 | Very high | 116 Ų | 116 | 38.7 Ų | 38.7 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 178.3 | -176.6 | -105.3 | 0 | 0 | 0 | 113.7 | C514 R515 I516 L557 E560 | W512-C514 VanDerWaalsContact C-N 3.3Å; W512-C514 PolarHBondContact O-N 3.29Å; W512-R515 HydrophobicContact CE3-CB 4.47Å; W512-R515 WeakPolarHBondContact O-CB 3.23Å; W512-R515 PolarHBondContact O-N 3.34Å; W512-R515 VanDerWaalsContact O-N 3.07Å; W512-I516 HydrophobicContact CZ2-CD1 3.8Å; W512-I516 HydrophobicContact CZ2-CG1 4.43Å; W512-I516 WeakPolarHBondContact O-CG1 3.27Å; W512-I516 PolarHBondContact O-N 2.98Å; W512-L557 HydrophobicContact CE3-CD2 4.47Å; W512-L557 HydrophobicContact CH2-CD2 3.62Å; W512-L557 HydrophobicContact CZ3-CD2 3.42Å; W512-L557 VanDerWaalsContact CZ3-CD2 3.42Å; W512-L557 HydrophobicContact CZ3-CG 4.3Å; W512-E560 HydrophobicContact CH2-CG 3.86Å; W512-E560 HydrophobicContact CZ2-CG 3.77Å |
| 513 | P | 96.2 | Very high | 95.9 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 25% | 0.253 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.1 | -39.5 | 175.3 | -26.7 | 37.5 | 0 | 0 | 0 | 113.3 | W472 E476 R515 I516 A517 | W472-P513 HydrophobicContact CE3-CB 3.78Å; W472-P513 HydrophobicContact CE3-CG 3.85Å; W472-P513 HydrophobicContact CH2-CB 4.5Å; W472-P513 HydrophobicContact CH2-CG 4.02Å; W472-P513 HydrophobicContact CZ3-CB 3.56Å; W472-P513 HydrophobicContact CZ3-CG 3.52Å; E476-P513 HydrophobicContact CG-CB 4.44Å; P513-R515 PolarHBondContact O-N 2.84Å; P513-I516 PolarHBondContact O-N 3.31Å; P513-A517 PolarHBondContact O-N 2.99Å |
| 514 | C | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 174.1 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | W472 L479 V509 A511 W512 I516 A517 S518 | W472-C514 PolarHBondContact O-SG 3.12Å; L479-C514 HydrophobicContact CD1-CB 3.87Å; V509-C514 HydrophobicContact CB-CB 4.4Å; V509-C514 HydrophobicContact CG1-CB 3.76Å; V509-C514 HydrophobicContact CG2-CB 3.74Å; A511-C514 HydrophobicContact CB-CB 4.29Å; A511-C514 WeakPolarHBondContact O-CB 3.34Å; A511-C514 PolarHBondContact O-N 2.57Å; W512-C514 VanDerWaalsContact C-N 3.3Å; W512-C514 PolarHBondContact O-N 3.29Å; C514-I516 VanDerWaalsContact C-N 3.33Å; C514-I516 PolarHBondContact O-N 3.2Å; C514-A517 PolarHBondContact O-N 3.07Å; C514-S518 PolarHBondContact O-N 3.24Å; C514-S518 PolarHBondContact O-OG 3.06Å |
| 515 | R | 96.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 174.2 | -68.9 | -173.9 | -169.7 | -169.9 | -5.8 | 111.7 | V509 A511 W512 P513 A517 S518 I519 L557 | V509-R515 HydrophobicContact CG1-CB 4.25Å; V509-R515 HydrophobicContact CG1-CG 3.29Å; V509-R515 VanDerWaalsContact O-CZ 3.27Å; V509-R515 PolarHBondContact O-NE 2.85Å; V509-R515 PolarHBondContact O-NH2 2.82Å; A511-R515 PolarHBondContact O-N 3.44Å; W512-R515 HydrophobicContact CE3-CB 4.47Å; W512-R515 WeakPolarHBondContact O-CB 3.23Å; W512-R515 PolarHBondContact O-N 3.34Å; W512-R515 VanDerWaalsContact O-N 3.07Å; P513-R515 PolarHBondContact O-N 2.84Å; R515-A517 VanDerWaalsContact C-N 3.34Å; R515-S518 PolarHBondContact O-N 2.78Å; R515-I519 VanDerWaalsContact O-CG1 3.25Å; R515-I519 WeakPolarHBondContact O-CG1 3.39Å; R515-I519 PolarHBondContact O-N 3.03Å; R515-L557 HydrophobicContact CB-CD2 4.48Å |
| 516 | I | 97.1 | Very high | 95.7 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 178.4 | -63.2 | -62.1 | 0 | 0 | 0 | 110.6 | W512 P513 C514 I519 K520 I564 | W512-I516 HydrophobicContact CZ2-CD1 3.8Å; W512-I516 HydrophobicContact CZ2-CG1 4.43Å; W512-I516 WeakPolarHBondContact O-CG1 3.27Å; W512-I516 PolarHBondContact O-N 2.98Å; P513-I516 PolarHBondContact O-N 3.31Å; C514-I516 VanDerWaalsContact C-N 3.33Å; C514-I516 PolarHBondContact O-N 3.2Å; I516-I519 PolarHBondContact O-N 3.27Å; I516-K520 HydrophobicContact CG2-CD 4.37Å; I516-K520 WeakPolarHBondContact O-CG 3.45Å; I516-K520 PolarHBondContact O-N 2.92Å; I516-I564 HydrophobicContact CD1-CD1 4.06Å; I516-I564 HydrophobicContact CG2-CD1 4.03Å |
| 517 | A | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E476 L479 L480 P513 C514 R515 I519 K520 T521 | E476-A517 HydrophobicContact CG-CB 3.91Å; L479-A517 HydrophobicContact CB-CB 3.94Å; L479-A517 HydrophobicContact CD1-CB 4.4Å; L480-A517 HydrophobicContact CD1-CB 4.5Å; L480-A517 HydrophobicContact CD2-CB 3.85Å; L480-A517 HydrophobicContact CG-CB 3.78Å; P513-A517 PolarHBondContact O-N 2.99Å; C514-A517 PolarHBondContact O-N 3.07Å; R515-A517 VanDerWaalsContact C-N 3.34Å; A517-I519 VanDerWaalsContact C-N 3.33Å; A517-I519 PolarHBondContact O-N 2.89Å; A517-K520 PolarHBondContact O-N 3.32Å; A517-T521 PolarHBondContact O-N 3.28Å; A517-T521 PolarHBondContact O-OG1 3.09Å; A517-T521 VanDerWaalsContact O-OG1 3.07Å |
| 518 | S | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | L479 I502 E505 C514 R515 T521 F522 | L479-S518 WeakPolarHBondContact CD1-OG 3.45Å; I502-S518 VanDerWaalsContact CG2-O 3.31Å; I502-S518 WeakPolarHBondContact CG2-O 3.32Å; E505-S518 VanDerWaalsContact CB-OG 3.3Å; E505-S518 WeakPolarHBondContact CB-OG 3.22Å; C514-S518 PolarHBondContact O-N 3.24Å; C514-S518 PolarHBondContact O-OG 3.06Å; R515-S518 PolarHBondContact O-N 2.78Å; S518-T521 PolarHBondContact O-N 2.9Å; S518-F522 WeakPolarHBondContact O-CB 3.37Å; S518-F522 PolarHBondContact O-N 3.37Å |
| 519 | I | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 175 | -67.9 | 165.4 | 0 | 0 | 0 | 110.2 | I506 R515 I516 A517 T521 F522 M523 L557 C561 I564 | I506-I519 HydrophobicContact CD1-CG1 4.25Å; I506-I519 HydrophobicContact CG1-CG1 4.03Å; I506-I519 HydrophobicContact CG2-CG1 4.23Å; R515-I519 VanDerWaalsContact O-CG1 3.25Å; R515-I519 WeakPolarHBondContact O-CG1 3.39Å; R515-I519 PolarHBondContact O-N 3.03Å; I516-I519 PolarHBondContact O-N 3.27Å; A517-I519 VanDerWaalsContact C-N 3.33Å; A517-I519 PolarHBondContact O-N 2.89Å; I519-T521 VanDerWaalsContact C-N 3.3Å; I519-T521 PolarHBondContact O-N 3.39Å; I519-F522 PolarHBondContact O-N 3.14Å; I519-M523 HydrophobicContact CG2-CG 3.93Å; I519-M523 WeakPolarHBondContact O-CB 3.46Å; I519-M523 WeakPolarHBondContact O-CG 3.41Å; I519-M523 PolarHBondContact O-N 2.76Å; I519-L557 HydrophobicContact CD1-CD2 4.2Å; I519-C561 HydrophobicContact CG2-CB 4.17Å; I519-I564 HydrophobicContact CB-CD1 4.06Å; I519-I564 HydrophobicContact CG2-CB 4.28Å; I519-I564 HydrophobicContact CG2-CD1 3.61Å; I519-I564 HydrophobicContact CG2-CG2 4.27Å |
| 520 | K | 97.4 | Very high | 95.3 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.3 | -45.3 | 177.7 | -71.8 | 178.8 | 176 | -178.4 | 0 | 111.4 | L480 I516 A517 T524 I564 I568 | L480-K520 HydrophobicContact CD2-CB 4.37Å; L480-K520 HydrophobicContact CD2-CD 4.22Å; I516-K520 HydrophobicContact CG2-CD 4.37Å; I516-K520 WeakPolarHBondContact O-CG 3.45Å; I516-K520 PolarHBondContact O-N 2.92Å; A517-K520 PolarHBondContact O-N 3.32Å; K520-T524 WeakPolarHBondContact O-CB 3.18Å; K520-T524 PolarHBondContact O-N 2.78Å; K520-T524 PolarHBondContact O-OG1 3.13Å; K520-I564 HydrophobicContact CG-CD1 4.37Å; K520-I564 HydrophobicContact CG-CG2 3.8Å; K520-I568 HydrophobicContact CB-CD1 3.85Å; K520-I568 HydrophobicContact CG-CD1 3.78Å |
| 521 | T | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | L479 L482 V483 I502 A517 S518 I519 M523 T524 W525 | L479-T521 PolarHBondContact O-OG1 3.18Å; L482-T521 HydrophobicContact CB-CG2 4.21Å; V483-T521 HydrophobicContact CG2-CG2 4.03Å; V483-T521 WeakPolarHBondContact CG2-OG1 2.98Å; I502-T521 HydrophobicContact CD1-CG2 4.34Å; I502-T521 HydrophobicContact CG1-CG2 4.48Å; A517-T521 PolarHBondContact O-N 3.28Å; A517-T521 PolarHBondContact O-OG1 3.09Å; A517-T521 VanDerWaalsContact O-OG1 3.07Å; S518-T521 PolarHBondContact O-N 2.9Å; I519-T521 VanDerWaalsContact C-N 3.3Å; I519-T521 PolarHBondContact O-N 3.39Å; T521-M523 PolarHBondContact O-N 3.12Å; T521-T524 PolarHBondContact O-N 3.4Å; T521-W525 HydrophobicContact CG2-CD2 4.01Å; T521-W525 VanDerWaalsContact CG2-CE2 3.46Å; T521-W525 HydrophobicContact CG2-CE3 4.46Å; T521-W525 HydrophobicContact CG2-CH2 3.94Å; T521-W525 HydrophobicContact CG2-CZ2 3.46Å; T521-W525 VanDerWaalsContact CG2-CZ2 3.46Å; T521-W525 HydrophobicContact CG2-CZ3 4.43Å; T521-W525 VanDerWaalsContact O-CD1 3.29Å; T521-W525 PolarHBondContact O-N 2.46Å |
| 522 | F | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.3 | -50.6 | 177 | -172.9 | -96.1 | 0 | 0 | 0 | 112.3 | F499 I502 K503 I506 S518 I519 T524 W525 T526 F541 L542 | F499-F522 HydrophobicContact CD1-CD2 4.19Å; F499-F522 AromaticContact CD1-CE2 3.68Å; F499-F522 HydrophobicContact CD1-CE2 3.68Å; F499-F522 HydrophobicContact CD1-CZ 4.48Å; F499-F522 HydrophobicContact CE1-CD2 4.3Å; F499-F522 AromaticContact CE1-CE2 3.9Å; F499-F522 HydrophobicContact CE1-CE2 3.9Å; F499-F522 HydrophobicContact CE1-CZ 4.44Å; I502-F522 HydrophobicContact CG2-CB 3.71Å; I502-F522 HydrophobicContact CG2-CD2 4.07Å; I502-F522 HydrophobicContact CG2-CG 4.37Å; K503-F522 HydrophobicContact CD-CE2 4.43Å; K503-F522 HydrophobicContact CG-CD2 4.41Å; K503-F522 HydrophobicContact CG-CE2 3.81Å; I506-F522 HydrophobicContact CD1-CB 3.8Å; I506-F522 HydrophobicContact CD1-CD1 4.45Å; I506-F522 HydrophobicContact CD1-CD2 4.27Å; I506-F522 HydrophobicContact CD1-CG 3.93Å; S518-F522 WeakPolarHBondContact O-CB 3.37Å; S518-F522 PolarHBondContact O-N 3.37Å; I519-F522 PolarHBondContact O-N 3.14Å; F522-T524 VanDerWaalsContact C-N 3.35Å; F522-T524 PolarHBondContact O-N 2.93Å; F522-W525 PolarHBondContact O-N 3.18Å; F522-T526 PolarHBondContact O-N 3.02Å; F522-T526 PolarHBondContact O-OG1 3.45Å; F522-F541 HydrophobicContact CE1-CD1 4.05Å; F522-F541 HydrophobicContact CE2-CD1 4.18Å; F522-F541 AromaticContact CZ-CD1 3.64Å; F522-F541 HydrophobicContact CZ-CD1 3.64Å; F522-F541 HydrophobicContact CZ-CE1 4.29Å; F522-F541 HydrophobicContact CZ-CG 4.43Å; F522-L542 HydrophobicContact CD1-CD2 4.19Å; F522-L542 HydrophobicContact CE1-CD1 4.07Å; F522-L542 HydrophobicContact CE1-CD2 3.86Å; F522-L542 HydrophobicContact CE1-CG 3.89Å |
| 523 | M | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | -178.5 | -68.5 | -56.6 | -52.4 | 0 | 0 | 111.8 | I519 T521 W525 T526 S527 L542 C569 F573 L578 | I519-M523 HydrophobicContact CG2-CG 3.93Å; I519-M523 WeakPolarHBondContact O-CB 3.46Å; I519-M523 WeakPolarHBondContact O-CG 3.41Å; I519-M523 PolarHBondContact O-N 2.76Å; T521-M523 PolarHBondContact O-N 3.12Å; M523-W525 VanDerWaalsContact C-N 3.34Å; M523-T526 PolarHBondContact O-N 2.61Å; M523-S527 WeakPolarHBondContact O-CB 3.41Å; M523-S527 PolarHBondContact O-N 2.8Å; M523-S527 PolarHBondContact O-OG 3.39Å; M523-L542 HydrophobicContact CE-CD1 4.47Å; M523-L542 HydrophobicContact SD-CD1 3.67Å; M523-C569 WeakPolarHBondContact CE-SG 3.41Å; M523-F573 HydrophobicContact CE-CE1 3.96Å; M523-L578 HydrophobicContact CE-CD1 3.98Å |
| 524 | T | 95.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 175.1 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | V483 K520 T521 F522 S527 K528 I568 | V483-T524 HydrophobicContact CG1-CG2 3.73Å; K520-T524 WeakPolarHBondContact O-CB 3.18Å; K520-T524 PolarHBondContact O-N 2.78Å; K520-T524 PolarHBondContact O-OG1 3.13Å; T521-T524 PolarHBondContact O-N 3.4Å; F522-T524 VanDerWaalsContact C-N 3.35Å; F522-T524 PolarHBondContact O-N 2.93Å; T524-S527 PolarHBondContact O-N 3.06Å; T524-S527 PolarHBondContact O-OG 3.16Å; T524-K528 PolarHBondContact O-N 3.37Å; T524-I568 HydrophobicContact CG2-CG2 4.48Å; T524-I568 VanDerWaalsContact OG1-CG2 3.26Å; T524-I568 WeakPolarHBondContact OG1-CG2 3.4Å |
| 525 | W | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -51.6 | 177.8 | -66.6 | -0.6 | 0 | 0 | 0 | 111.8 | L482 L485 T486 L494 F498 F499 I502 T521 F522 M523 S527 K528 L529 | L482-W525 HydrophobicContact CB-CH2 4.36Å; L482-W525 HydrophobicContact CB-CZ2 3.87Å; L482-W525 VanDerWaalsContact O-CZ2 3.26Å; L482-W525 WeakPolarHBondContact O-CZ2 3.4Å; L482-W525 PolarHBondContact O-NE1 3.36Å; L485-W525 HydrophobicContact CB-CZ2 4.43Å; L485-W525 HydrophobicContact CD1-CZ2 4.27Å; T486-W525 HydrophobicContact CG2-CB 4.08Å; T486-W525 HydrophobicContact CG2-CG 3.7Å; L494-W525 HydrophobicContact CD1-CD2 4.09Å; L494-W525 HydrophobicContact CD1-CE3 4.18Å; L494-W525 HydrophobicContact CD1-CH2 4.1Å; L494-W525 HydrophobicContact CD1-CZ2 3.94Å; L494-W525 HydrophobicContact CD1-CZ3 4.2Å; L494-W525 HydrophobicContact CD2-CD2 4.34Å; L494-W525 HydrophobicContact CD2-CG 4.3Å; L494-W525 HydrophobicContact CG-CD2 4.49Å; L494-W525 HydrophobicContact CG-CE3 4.47Å; F498-W525 HydrophobicContact CB-CH2 3.56Å; F498-W525 HydrophobicContact CB-CZ3 3.68Å; F498-W525 HydrophobicContact CG-CH2 4.32Å; F499-W525 AromaticContact CD2-CE3 3.79Å; F499-W525 HydrophobicContact CD2-CE3 3.79Å; F499-W525 HydrophobicContact CD2-CZ3 4.26Å; F499-W525 HydrophobicContact CE2-CB 3.94Å; F499-W525 HydrophobicContact CE2-CD2 4.31Å; F499-W525 AromaticContact CE2-CE3 3.7Å; F499-W525 HydrophobicContact CE2-CE3 3.7Å; F499-W525 HydrophobicContact CE2-CG 4.48Å; F499-W525 HydrophobicContact CG-CE3 4.44Å; F499-W525 HydrophobicContact CZ-CB 3.67Å; F499-W525 HydrophobicContact CZ-CE3 4.24Å; I502-W525 HydrophobicContact CB-CZ3 4.22Å; I502-W525 HydrophobicContact CD1-CH2 4.29Å; I502-W525 HydrophobicContact CG1-CE3 4.33Å; I502-W525 HydrophobicContact CG1-CH2 3.6Å; I502-W525 HydrophobicContact CG1-CZ3 3.39Å; T521-W525 HydrophobicContact CG2-CD2 4.01Å; T521-W525 VanDerWaalsContact CG2-CE2 3.46Å; T521-W525 HydrophobicContact CG2-CE3 4.46Å; T521-W525 HydrophobicContact CG2-CH2 3.94Å; T521-W525 HydrophobicContact CG2-CZ2 3.46Å; T521-W525 VanDerWaalsContact CG2-CZ2 3.46Å; T521-W525 HydrophobicContact CG2-CZ3 4.43Å; T521-W525 VanDerWaalsContact O-CD1 3.29Å; T521-W525 PolarHBondContact O-N 2.46Å; F522-W525 PolarHBondContact O-N 3.18Å; M523-W525 VanDerWaalsContact C-N 3.34Å; W525-S527 PolarHBondContact O-N 3.4Å; W525-K528 PolarHBondContact O-N 3.06Å; W525-L529 WeakPolarHBondContact O-CG 3.45Å; W525-L529 PolarHBondContact O-N 3.3Å |
| 526 | T | 95.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.8 | -40.2 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | F522 M523 K528 L529 S538 F573 | F522-T526 PolarHBondContact O-N 3.02Å; F522-T526 PolarHBondContact O-OG1 3.45Å; M523-T526 PolarHBondContact O-N 2.61Å; T526-K528 VanDerWaalsContact C-N 3.26Å; T526-K528 PolarHBondContact O-N 3.01Å; T526-L529 PolarHBondContact O-N 3.38Å; T526-S538 WeakPolarHBondContact OG1-CB 3.05Å; T526-F573 HydrophobicContact CG2-CE2 4.09Å; T526-F573 HydrophobicContact CG2-CZ 3.66Å |
| 527 | S | 91.9 | Very high | 95.3 | Very high | 37 Ų | 37 | 43.2 Ų | 43.2 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.2 | -20.7 | 178.5 | 71.7 | 0 | 0 | 0 | 0 | 114.7 | M523 T524 W525 | M523-S527 WeakPolarHBondContact O-CB 3.41Å; M523-S527 PolarHBondContact O-N 2.8Å; M523-S527 PolarHBondContact O-OG 3.39Å; T524-S527 PolarHBondContact O-N 3.06Å; T524-S527 PolarHBondContact O-OG 3.16Å; W525-S527 PolarHBondContact O-N 3.4Å |
| 528 | K | 92.1 | Very high | 95.2 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 39% | 0.391 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -99.5 | -6.4 | -179.6 | -72.2 | -173.9 | 176.8 | -174.8 | 0 | 113.6 | T486 E487 T524 W525 T526 | T486-K528 HydrophobicContact CG2-CB 4.41Å; T486-K528 HydrophobicContact CG2-CD 4.15Å; T486-K528 PolarHBondContact OG1-NZ 3.23Å; E487-K528 IonicContact OE1-NZ 3.1Å; E487-K528 PolarHBondContact OE1-NZ 3.14Å; T524-K528 PolarHBondContact O-N 3.37Å; W525-K528 PolarHBondContact O-N 3.06Å; T526-K528 VanDerWaalsContact C-N 3.26Å; T526-K528 PolarHBondContact O-N 3.01Å |
| 529 | L | 93.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | trans | -63.9 | 145.8 | 177 | -67.1 | 173.8 | 0 | 0 | 0 | 110.9 | E491 V495 F499 W525 T526 N534 I535 | E491-L529 HydrophobicContact CG-CD2 3.58Å; V495-L529 HydrophobicContact CG2-CD2 4.05Å; F499-L529 HydrophobicContact CE1-CD1 4.27Å; F499-L529 HydrophobicContact CE2-CD2 4.26Å; F499-L529 HydrophobicContact CZ-CD1 3.87Å; F499-L529 HydrophobicContact CZ-CD2 4.04Å; F499-L529 HydrophobicContact CZ-CG 4.23Å; W525-L529 WeakPolarHBondContact O-CG 3.45Å; W525-L529 PolarHBondContact O-N 3.3Å; T526-L529 PolarHBondContact O-N 3.38Å; L529-N534 HydrophobicContact CD1-CB 3.82Å; L529-N534 HydrophobicContact CD2-CB 4.49Å; L529-I535 HydrophobicContact CB-CD1 4.4Å; L529-I535 HydrophobicContact CB-CG1 3.69Å; L529-I535 HydrophobicContact CD1-CG1 4.29Å | ||
| 530 | K | 92.1 | Very high | 95 | Very high | 186 Ų | 186 | 48.3 Ų | 48.3 | 81% | 0.809 | 26% | 0.255 | S | S | * | . | trans | -103.5 | -31.3 | 176.7 | -61.1 | 178.7 | -177.3 | 177.1 | 0 | 112 | E491 P532 | E491-K530 PolarHBondContact OE2-N 3.29Å; K530-P532 WeakPolarHBondContact O-CD 3.2Å | ||
| 531 | N | 93.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 45 Ų | 45 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | trans | -77.7 | 120 | -179.2 | -173.6 | -23 | 0 | 0 | 0 | 110.9 | E491 A533 N534 I535 | E491-N531 WeakPolarHBondContact OE1-CB 3.1Å; E491-N531 PolarHBondContact OE1-N 3.11Å; E491-N531 VanDerWaalsContact OE1-N 3.13Å; E491-N531 PolarHBondContact OE2-N 2.95Å; N531-A533 PolarHBondContact O-N 3.49Å; N531-A533 WeakPolarHBondContact OD1-CB 3.48Å; N531-A533 PolarHBondContact OD1-N 2.8Å; N531-N534 HydrophobicContact CB-CB 4.24Å; N531-N534 PolarHBondContact O-N 2.96Å; N531-N534 VanDerWaalsContact O-N 3.11Å; N531-I535 WeakPolarHBondContact O-CG1 3.11Å; N531-I535 PolarHBondContact O-N 3.1Å; N531-I535 VanDerWaalsContact O-N 3.13Å | ||
| 532 | P | 93.2 | Very high | 95.1 | Very high | 99 Ų | 99 | 45 Ų | 45 | 64% | 0.643 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.3 | -29.6 | -179.4 | 25.3 | -34.7 | 0 | 0 | 0 | 113.3 | K530 I535 H536 | K530-P532 WeakPolarHBondContact O-CD 3.2Å; P532-I535 PolarHBondContact O-N 2.95Å; P532-H536 WeakPolarHBondContact O-CB 3.28Å; P532-H536 PolarHBondContact O-N 3.22Å |
| 533 | A | 95.3 | Very high | 95 | Very high | 59 Ų | 59 | 46 Ų | 46 | 49% | 0.488 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N531 H536 S537 | N531-A533 PolarHBondContact O-N 3.49Å; N531-A533 WeakPolarHBondContact OD1-CB 3.48Å; N531-A533 PolarHBondContact OD1-N 2.8Å; A533-H536 PolarHBondContact O-N 3.3Å; A533-S537 WeakPolarHBondContact O-CB 2.97Å; A533-S537 PolarHBondContact O-N 2.94Å |
| 534 | N | 94.9 | Very high | 95 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.7 | -38.3 | 177.6 | -67.5 | -25.5 | 0 | 0 | 0 | 111.3 | E491 V495 L529 N531 S538 | E491-N534 PolarHBondContact OE1-ND2 3.14Å; V495-N534 HydrophobicContact CG2-CB 4.34Å; L529-N534 HydrophobicContact CD1-CB 3.82Å; L529-N534 HydrophobicContact CD2-CB 4.49Å; N531-N534 HydrophobicContact CB-CB 4.24Å; N531-N534 PolarHBondContact O-N 2.96Å; N531-N534 VanDerWaalsContact O-N 3.11Å; N534-S538 WeakPolarHBondContact O-CB 3.44Å; N534-S538 PolarHBondContact O-N 3.07Å; N534-S538 PolarHBondContact O-OG 2.94Å |
| 535 | I | 94.8 | Very high | 95.1 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -51.3 | 172.6 | -62.9 | 169.3 | 0 | 0 | 0 | 109.7 | L529 N531 P532 S537 S538 V539 F573 | L529-I535 HydrophobicContact CB-CD1 4.4Å; L529-I535 HydrophobicContact CB-CG1 3.69Å; L529-I535 HydrophobicContact CD1-CG1 4.29Å; N531-I535 WeakPolarHBondContact O-CG1 3.11Å; N531-I535 PolarHBondContact O-N 3.1Å; N531-I535 VanDerWaalsContact O-N 3.13Å; P532-I535 PolarHBondContact O-N 2.95Å; I535-S537 PolarHBondContact O-N 3.26Å; I535-S538 WeakPolarHBondContact O-CB 3.47Å; I535-S538 PolarHBondContact O-N 3.28Å; I535-S538 VanDerWaalsContact O-N 3.12Å; I535-V539 HydrophobicContact CG2-CG2 4.4Å; I535-V539 WeakPolarHBondContact O-CG2 3.47Å; I535-V539 PolarHBondContact O-N 3.38Å; I535-F573 HydrophobicContact CG2-CE2 4.02Å |
| 536 | H | 95.7 | Very high | 95.1 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 57% | 0.574 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57.1 | -49.3 | 178.3 | -179.7 | -81.6 | 0 | 0 | 0 | 111.7 | P532 A533 S538 V539 E540 | P532-H536 WeakPolarHBondContact O-CB 3.28Å; P532-H536 PolarHBondContact O-N 3.22Å; A533-H536 PolarHBondContact O-N 3.3Å; H536-S538 PolarHBondContact O-N 2.85Å; H536-V539 PolarHBondContact O-N 3.29Å; H536-E540 IonicContact CE1-OE2 2.93Å; H536-E540 IonicContact ND1-OE2 2.75Å; H536-E540 VanDerWaalsContact O-CB 3.28Å; H536-E540 WeakPolarHBondContact O-CB 3.01Å; H536-E540 PolarHBondContact O-N 2.91Å |
| 537 | S | 96.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 51 Ų | 51 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | A533 I535 F541 | A533-S537 WeakPolarHBondContact O-CB 2.97Å; A533-S537 PolarHBondContact O-N 2.94Å; I535-S537 PolarHBondContact O-N 3.26Å; S537-F541 PolarHBondContact O-N 2.95Å |
| 538 | S | 95.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.1 | -43.3 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | F499 T526 N534 I535 H536 F541 L542 | F499-S538 WeakPolarHBondContact CE1-OG 3.35Å; T526-S538 WeakPolarHBondContact OG1-CB 3.05Å; N534-S538 WeakPolarHBondContact O-CB 3.44Å; N534-S538 PolarHBondContact O-N 3.07Å; N534-S538 PolarHBondContact O-OG 2.94Å; I535-S538 WeakPolarHBondContact O-CB 3.47Å; I535-S538 PolarHBondContact O-N 3.28Å; I535-S538 VanDerWaalsContact O-N 3.12Å; H536-S538 PolarHBondContact O-N 2.85Å; S538-F541 WeakPolarHBondContact O-CB 3.27Å; S538-F541 PolarHBondContact O-N 3.15Å; S538-L542 PolarHBondContact O-N 3.33Å |
| 539 | V | 96.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | I535 H536 F541 L542 T543 F573 N577 | I535-V539 HydrophobicContact CG2-CG2 4.4Å; I535-V539 WeakPolarHBondContact O-CG2 3.47Å; I535-V539 PolarHBondContact O-N 3.38Å; H536-V539 PolarHBondContact O-N 3.29Å; V539-F541 VanDerWaalsContact C-N 3.3Å; V539-F541 PolarHBondContact O-N 2.98Å; V539-L542 WeakPolarHBondContact O-CA 3.45Å; V539-L542 WeakPolarHBondContact O-CB 3.3Å; V539-L542 PolarHBondContact O-N 3.12Å; V539-T543 HydrophobicContact CG1-CG2 4.13Å; V539-T543 WeakPolarHBondContact O-CG2 3.39Å; V539-T543 PolarHBondContact O-N 3.14Å; V539-T543 PolarHBondContact O-OG1 3.01Å; V539-T543 VanDerWaalsContact O-OG1 3.1Å; V539-F573 HydrophobicContact CG2-CE2 4.28Å; V539-F573 HydrophobicContact CG2-CZ 3.9Å; V539-N577 HydrophobicContact CG1-CB 3.92Å; V539-N577 HydrophobicContact CG2-CB 3.9Å |
| 540 | E | 96.5 | Very high | 95.6 | Very high | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 176.3 | -175.6 | -179 | -174.9 | 0 | 0 | 112 | H536 L542 T543 T544 | H536-E540 IonicContact CE1-OE2 2.93Å; H536-E540 IonicContact ND1-OE2 2.75Å; H536-E540 VanDerWaalsContact O-CB 3.28Å; H536-E540 WeakPolarHBondContact O-CB 3.01Å; H536-E540 PolarHBondContact O-N 2.91Å; E540-L542 VanDerWaalsContact C-N 3.34Å; E540-L542 PolarHBondContact O-N 3.08Å; E540-T543 WeakPolarHBondContact CA-OG1 3.32Å; E540-T543 PolarHBondContact O-N 3Å; E540-T543 PolarHBondContact O-OG1 3.1Å; E540-T544 WeakPolarHBondContact O-CA 3.5Å; E540-T544 WeakPolarHBondContact O-CB 3.45Å; E540-T544 PolarHBondContact O-N 2.78Å; E540-T544 PolarHBondContact O-OG1 3.46Å |
| 541 | F | 97.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -58 | -47 | 171.2 | 168.4 | -101.9 | 0 | 0 | 0 | 111.4 | K503 I506 L507 F522 S537 S538 V539 T545 L546 | K503-F541 HydrophobicContact CB-CD2 4.47Å; K503-F541 HydrophobicContact CB-CE1 4.39Å; K503-F541 HydrophobicContact CB-CE2 3.87Å; K503-F541 HydrophobicContact CB-CZ 3.82Å; K503-F541 HydrophobicContact CD-CD1 4.43Å; K503-F541 HydrophobicContact CD-CD2 3.87Å; K503-F541 HydrophobicContact CD-CE2 4.13Å; K503-F541 HydrophobicContact CD-CG 4.02Å; K503-F541 HydrophobicContact CG-CD1 4.02Å; K503-F541 HydrophobicContact CG-CD2 3.99Å; K503-F541 HydrophobicContact CG-CE1 3.86Å; K503-F541 HydrophobicContact CG-CE2 3.81Å; K503-F541 HydrophobicContact CG-CG 4.08Å; K503-F541 HydrophobicContact CG-CZ 3.75Å; I506-F541 HydrophobicContact CD1-CE1 4.17Å; L507-F541 HydrophobicContact CD1-CE2 4.08Å; L507-F541 HydrophobicContact CD1-CZ 4.42Å; L507-F541 HydrophobicContact CD2-CZ 4.42Å; L507-F541 HydrophobicContact CG-CE2 4.35Å; L507-F541 HydrophobicContact CG-CZ 4.22Å; F522-F541 HydrophobicContact CE1-CD1 4.05Å; F522-F541 HydrophobicContact CE2-CD1 4.18Å; F522-F541 AromaticContact CZ-CD1 3.64Å; F522-F541 HydrophobicContact CZ-CD1 3.64Å; F522-F541 HydrophobicContact CZ-CE1 4.29Å; F522-F541 HydrophobicContact CZ-CG 4.43Å; S537-F541 PolarHBondContact O-N 2.95Å; S538-F541 WeakPolarHBondContact O-CB 3.27Å; S538-F541 PolarHBondContact O-N 3.15Å; V539-F541 VanDerWaalsContact C-N 3.3Å; V539-F541 PolarHBondContact O-N 2.98Å; F541-T545 HydrophobicContact CD2-CG2 4.08Å; F541-T545 HydrophobicContact CE2-CG2 3.92Å; F541-T545 WeakPolarHBondContact O-CA 3.17Å; F541-T545 WeakPolarHBondContact O-CB 2.85Å; F541-T545 PolarHBondContact O-N 2.78Å; F541-T545 PolarHBondContact O-OG1 3.35Å; F541-L546 HydrophobicContact CE1-CD1 4.42Å; F541-L546 PolarHBondContact O-N 2.78Å |
| 542 | L | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -65.2 | -46.2 | 179.2 | -61.4 | 174.2 | 0 | 0 | 0 | 111.8 | F522 M523 S538 V539 E540 L546 A547 F558 C561 L578 | F522-L542 HydrophobicContact CD1-CD2 4.19Å; F522-L542 HydrophobicContact CE1-CD1 4.07Å; F522-L542 HydrophobicContact CE1-CD2 3.86Å; F522-L542 HydrophobicContact CE1-CG 3.89Å; M523-L542 HydrophobicContact CE-CD1 4.47Å; M523-L542 HydrophobicContact SD-CD1 3.67Å; S538-L542 PolarHBondContact O-N 3.33Å; V539-L542 WeakPolarHBondContact O-CA 3.45Å; V539-L542 WeakPolarHBondContact O-CB 3.3Å; V539-L542 PolarHBondContact O-N 3.12Å; E540-L542 VanDerWaalsContact C-N 3.34Å; E540-L542 PolarHBondContact O-N 3.08Å; L542-L546 HydrophobicContact CD2-CD1 3.8Å; L542-L546 VanDerWaalsContact O-CB 3.25Å; L542-L546 WeakPolarHBondContact O-CB 3.41Å; L542-L546 PolarHBondContact O-N 3.21Å; L542-A547 PolarHBondContact O-N 3.05Å; L542-A547 VanDerWaalsContact O-N 3.12Å; L542-F558 HydrophobicContact CB-CD2 4.22Å; L542-F558 HydrophobicContact CB-CE2 4.19Å; L542-F558 WeakPolarHBondContact O-CD2 3.31Å; L542-C561 HydrophobicContact CD2-CB 4.3Å; L542-L578 HydrophobicContact CB-CD2 4.31Å; L542-L578 HydrophobicContact CD1-CD2 3.91Å |
| 543 | T | 96.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 14% | 0.135 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -77.2 | -49 | -174.5 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | V539 E540 A547 T548 F558 T581 | V539-T543 HydrophobicContact CG1-CG2 4.13Å; V539-T543 WeakPolarHBondContact O-CG2 3.39Å; V539-T543 PolarHBondContact O-N 3.14Å; V539-T543 PolarHBondContact O-OG1 3.01Å; V539-T543 VanDerWaalsContact O-OG1 3.1Å; E540-T543 WeakPolarHBondContact CA-OG1 3.32Å; E540-T543 PolarHBondContact O-N 3Å; E540-T543 PolarHBondContact O-OG1 3.1Å; T543-A547 WeakPolarHBondContact O-CA 3.46Å; T543-A547 WeakPolarHBondContact O-CB 3.49Å; T543-A547 PolarHBondContact O-N 3.38Å; T543-T548 PolarHBondContact O-N 3.36Å; T543-T548 VanDerWaalsContact O-N 3.09Å; T543-T548 PolarHBondContact O-OG1 3.27Å; T543-F558 HydrophobicContact CG2-CE2 4.31Å; T543-T581 HydrophobicContact CG2-CG2 4.06Å; T543-T581 WeakPolarHBondContact CG2-OG1 3.37Å |
| 544 | T | 95.3 | Very high | 96 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -82.9 | -40.3 | -175.1 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | E540 T548 | E540-T544 WeakPolarHBondContact O-CA 3.5Å; E540-T544 WeakPolarHBondContact O-CB 3.45Å; E540-T544 PolarHBondContact O-N 2.78Å; E540-T544 PolarHBondContact O-OG1 3.46Å; T544-T548 WeakPolarHBondContact CA-OG1 3.23Å; T544-T548 PolarHBondContact O-OG1 2.96Å |
| 545 | T | 96.3 | Very high | 96.1 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -87.3 | -26.3 | -175.1 | -49.3 | 0 | 0 | 0 | 0 | 113.1 | L507 F541 H549 | L507-T545 HydrophobicContact CD1-CG2 4.36Å; L507-T545 HydrophobicContact CD2-CG2 4.39Å; F541-T545 HydrophobicContact CD2-CG2 4.08Å; F541-T545 HydrophobicContact CE2-CG2 3.92Å; F541-T545 WeakPolarHBondContact O-CA 3.17Å; F541-T545 WeakPolarHBondContact O-CB 2.85Å; F541-T545 PolarHBondContact O-N 2.78Å; F541-T545 PolarHBondContact O-OG1 3.35Å; T545-H549 WeakPolarHBondContact O-CB 3.12Å |
| 546 | L | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -106 | -58.6 | 178 | -50.2 | 178.4 | 0 | 0 | 0 | 112.3 | I506 L507 F541 L542 H549 R554 R555 F558 | I506-L546 HydrophobicContact CG2-CD1 4.42Å; L507-L546 HydrophobicContact CD2-CD2 3.5Å; F541-L546 HydrophobicContact CE1-CD1 4.42Å; F541-L546 PolarHBondContact O-N 2.78Å; L542-L546 HydrophobicContact CD2-CD1 3.8Å; L542-L546 VanDerWaalsContact O-CB 3.25Å; L542-L546 WeakPolarHBondContact O-CB 3.41Å; L542-L546 PolarHBondContact O-N 3.21Å; L546-H549 PolarHBondContact O-N 2.99Å; L546-R554 HydrophobicContact CD2-CB 4.46Å; L546-R554 CarbonylContact O-C 3.39Å; L546-R555 WeakPolarHBondContact O-CA 3.21Å; L546-R555 WeakPolarHBondContact O-CG 3.3Å; L546-R555 PolarHBondContact O-N 3.19Å; L546-F558 HydrophobicContact CB-CB 3.81Å |
| 547 | A | 96.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -70 | -38.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114 | L542 T543 R555 F558 T581 | L542-A547 PolarHBondContact O-N 3.05Å; L542-A547 VanDerWaalsContact O-N 3.12Å; T543-A547 WeakPolarHBondContact O-CA 3.46Å; T543-A547 WeakPolarHBondContact O-CB 3.49Å; T543-A547 PolarHBondContact O-N 3.38Å; A547-R555 WeakPolarHBondContact O-CD 3.46Å; A547-R555 VanDerWaalsContact O-CG 3.23Å; A547-R555 WeakPolarHBondContact O-CG 3.26Å; A547-F558 HydrophobicContact CB-CB 4.09Å; A547-F558 HydrophobicContact CB-CD1 3.62Å; A547-F558 HydrophobicContact CB-CD2 3.73Å; A547-F558 HydrophobicContact CB-CE1 3.92Å; A547-F558 HydrophobicContact CB-CE2 4.02Å; A547-F558 HydrophobicContact CB-CG 3.51Å; A547-F558 HydrophobicContact CB-CZ 4.12Å; A547-T581 HydrophobicContact CB-CG2 3.47Å; A547-T581 VanDerWaalsContact CB-CG2 3.47Å |
| 548 | T | 94.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 41.6 Ų | 41.6 | 61% | 0.607 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 5.1 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | T543 T544 | T543-T548 PolarHBondContact O-N 3.36Å; T543-T548 VanDerWaalsContact O-N 3.09Å; T543-T548 PolarHBondContact O-OG1 3.27Å; T544-T548 WeakPolarHBondContact CA-OG1 3.23Å; T544-T548 PolarHBondContact O-OG1 2.96Å |
| 549 | H | 96.7 | Very high | 96.4 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | trans | -74.8 | 143.6 | -174.2 | -172.5 | -88.8 | 0 | 0 | 0 | 112.2 | T545 L546 S551 R554 R555 | T545-H549 WeakPolarHBondContact O-CB 3.12Å; L546-H549 PolarHBondContact O-N 2.99Å; H549-S551 VanDerWaalsContact C-N 3.28Å; H549-S551 VanDerWaalsContact ND1-CB 3.3Å; H549-S551 WeakPolarHBondContact ND1-CB 3.19Å; H549-S551 PolarHBondContact ND1-N 2.81Å; H549-S551 PolarHBondContact O-N 2.8Å; H549-R554 HydrophobicContact CB-CB 3.97Å; H549-R554 PolarHBondContact CD2-NH1 3.49Å; H549-R554 WeakPolarHBondContact ND1-CD 3.47Å; H549-R554 PolarHBondContact NE2-NH1 3.22Å; H549-R555 WeakPolarHBondContact O-CD 3.17Å; H549-R555 WeakPolarHBondContact O-CG 3.25Å; H549-R555 PolarHBondContact O-NH1 3.41Å | ||
| 550 | P | 95.5 | Very high | 96.5 | Very high | 117 Ų | 117 | 41.8 Ų | 41.8 | 76% | 0.76 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -60 | -32 | -179 | -26.8 | 34.7 | 0 | 0 | 0 | 114.9 | Y552 R555 | P550-Y552 PolarHBondContact O-N 3.33Å; P550-R555 PolarHBondContact O-NH1 3.37Å |
| 551 | S | 95 | Very high | 96.5 | Very high | 45 Ų | 45 | 37.5 Ų | 37.5 | 32% | 0.315 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -70.5 | 118.4 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | H549 S553 R554 R555 | H549-S551 VanDerWaalsContact C-N 3.28Å; H549-S551 VanDerWaalsContact ND1-CB 3.3Å; H549-S551 WeakPolarHBondContact ND1-CB 3.19Å; H549-S551 PolarHBondContact ND1-N 2.81Å; H549-S551 PolarHBondContact O-N 2.8Å; S551-S553 PolarHBondContact O-N 3.48Å; S551-S553 PolarHBondContact OG-N 3.35Å; S551-R554 PolarHBondContact O-N 2.84Å; S551-R555 PolarHBondContact O-N 2.75Å |
| 552 | Y | 95.8 | Very high | 96.5 | Very high | 128 Ų | 128 | 36.8 Ų | 36.8 | 50% | 0.502 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57 | -32.5 | 174.7 | 85.4 | -84.8 | 0 | 0 | 0 | 112.3 | P550 R554 R555 M556 V590 I593 | P550-Y552 PolarHBondContact O-N 3.33Å; Y552-R554 VanDerWaalsContact C-N 3.28Å; Y552-R554 PolarHBondContact O-N 3.07Å; Y552-R555 PolarHBondContact O-N 3.28Å; Y552-M556 PolarHBondContact O-N 2.82Å; Y552-V590 HydrophobicContact CD2-CG1 4.44Å; Y552-V590 HydrophobicContact CG-CG1 4.48Å; Y552-I593 WeakPolarHBondContact O-CD1 3.41Å |
| 553 | S | 94.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 30% | 0.301 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -35 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | S551 L557 | S551-S553 PolarHBondContact O-N 3.48Å; S551-S553 PolarHBondContact OG-N 3.35Å; S553-L557 WeakPolarHBondContact O-CG 3.19Å; S553-L557 PolarHBondContact O-N 3.15Å |
| 554 | R | 96.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.5 | -38 | 174.9 | -67.5 | -154.4 | -168.8 | -176.6 | -4 | 112.3 | L546 H549 S551 Y552 M556 L557 F558 | L546-R554 HydrophobicContact CD2-CB 4.46Å; L546-R554 CarbonylContact O-C 3.39Å; H549-R554 HydrophobicContact CB-CB 3.97Å; H549-R554 PolarHBondContact CD2-NH1 3.49Å; H549-R554 WeakPolarHBondContact ND1-CD 3.47Å; H549-R554 PolarHBondContact NE2-NH1 3.22Å; S551-R554 PolarHBondContact O-N 2.84Å; Y552-R554 VanDerWaalsContact C-N 3.28Å; Y552-R554 PolarHBondContact O-N 3.07Å; R554-M556 VanDerWaalsContact C-N 3.3Å; R554-M556 PolarHBondContact O-N 2.66Å; R554-L557 WeakPolarHBondContact O-CB 3.32Å; R554-L557 PolarHBondContact O-N 2.77Å; R554-F558 PolarHBondContact O-N 2.78Å |
| 555 | R | 97.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -34.3 | 174.5 | -56.5 | -164.7 | -60 | -87.9 | 7.7 | 112 | L546 A547 H549 P550 S551 Y552 F558 L559 D588 I593 | L546-R555 WeakPolarHBondContact O-CA 3.21Å; L546-R555 WeakPolarHBondContact O-CG 3.3Å; L546-R555 PolarHBondContact O-N 3.19Å; A547-R555 WeakPolarHBondContact O-CD 3.46Å; A547-R555 VanDerWaalsContact O-CG 3.23Å; A547-R555 WeakPolarHBondContact O-CG 3.26Å; H549-R555 WeakPolarHBondContact O-CD 3.17Å; H549-R555 WeakPolarHBondContact O-CG 3.25Å; H549-R555 PolarHBondContact O-NH1 3.41Å; P550-R555 PolarHBondContact O-NH1 3.37Å; S551-R555 PolarHBondContact O-N 2.75Å; Y552-R555 PolarHBondContact O-N 3.28Å; R555-F558 WeakPolarHBondContact O-CB 3.49Å; R555-F558 PolarHBondContact O-N 3.06Å; R555-L559 PolarHBondContact O-N 3.03Å; R555-D588 WeakPolarHBondContact CD-OD2 3.49Å; R555-D588 IonicContact CZ-OD1 3.99Å; R555-D588 IonicContact CZ-OD2 2.91Å; R555-D588 IonicContact NE-OD1 2.62Å; R555-D588 IonicContact NE-OD2 2.76Å; R555-D588 PolarHBondContact NE-OD2 3.45Å; R555-D588 IonicContact NH2-OD1 3.48Å; R555-D588 PolarHBondContact NH2-OD1 3.2Å; R555-D588 IonicContact NH2-OD2 3.98Å; R555-D588 PolarHBondContact NH2-OD2 3Å; R555-I593 HydrophobicContact CB-CD1 4.01Å |
| 556 | M | 96.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 36.1 Ų | 36.1 | 20% | 0.197 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 170.8 | -168.9 | 64.5 | 77.6 | 0 | 0 | 111.1 | Y552 R554 F558 L559 E560 D592 I593 R596 | Y552-M556 PolarHBondContact O-N 2.82Å; R554-M556 VanDerWaalsContact C-N 3.3Å; R554-M556 PolarHBondContact O-N 2.66Å; M556-F558 VanDerWaalsContact C-N 3.27Å; M556-F558 PolarHBondContact O-N 3.02Å; M556-L559 PolarHBondContact O-N 3.12Å; M556-L559 VanDerWaalsContact O-N 3.1Å; M556-E560 PolarHBondContact O-N 3.37Å; M556-E560 VanDerWaalsContact O-N 3.08Å; M556-D592 HydrophobicContact CE-CB 4.16Å; M556-I593 HydrophobicContact CB-CD1 3.84Å; M556-I593 HydrophobicContact CE-CD1 3.8Å; M556-I593 HydrophobicContact SD-CD1 4.22Å; M556-R596 HydrophobicContact CE-CB 4.17Å; M556-R596 HydrophobicContact SD-CB 3.76Å; M556-R596 HydrophobicContact SD-CG 3.66Å |
| 557 | L | 96.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.2 | -39.8 | 174 | -75.4 | 167.7 | 0 | 0 | 0 | 112.2 | W512 R515 I519 S553 R554 L559 E560 C561 | W512-L557 HydrophobicContact CE3-CD2 4.47Å; W512-L557 HydrophobicContact CH2-CD2 3.62Å; W512-L557 HydrophobicContact CZ3-CD2 3.42Å; W512-L557 VanDerWaalsContact CZ3-CD2 3.42Å; W512-L557 HydrophobicContact CZ3-CG 4.3Å; R515-L557 HydrophobicContact CB-CD2 4.48Å; I519-L557 HydrophobicContact CD1-CD2 4.2Å; S553-L557 WeakPolarHBondContact O-CG 3.19Å; S553-L557 PolarHBondContact O-N 3.15Å; R554-L557 WeakPolarHBondContact O-CB 3.32Å; R554-L557 PolarHBondContact O-N 2.77Å; L557-L559 VanDerWaalsContact C-N 3.34Å; L557-L559 PolarHBondContact O-N 2.71Å; L557-E560 WeakPolarHBondContact O-CB 3.38Å; L557-E560 PolarHBondContact O-N 3.34Å; L557-E560 VanDerWaalsContact O-N 3.14Å; L557-C561 PolarHBondContact O-N 2.8Å; L557-C561 PolarHBondContact O-SG 3.06Å |
| 558 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 174.6 | 176.8 | -100.8 | 0 | 0 | 0 | 112.7 | L542 T543 L546 A547 R554 R555 M556 E560 C561 C562 L578 T581 A582 L585 | L542-F558 HydrophobicContact CB-CD2 4.22Å; L542-F558 HydrophobicContact CB-CE2 4.19Å; L542-F558 WeakPolarHBondContact O-CD2 3.31Å; T543-F558 HydrophobicContact CG2-CE2 4.31Å; L546-F558 HydrophobicContact CB-CB 3.81Å; A547-F558 HydrophobicContact CB-CB 4.09Å; A547-F558 HydrophobicContact CB-CD1 3.62Å; A547-F558 HydrophobicContact CB-CD2 3.73Å; A547-F558 HydrophobicContact CB-CE1 3.92Å; A547-F558 HydrophobicContact CB-CE2 4.02Å; A547-F558 HydrophobicContact CB-CG 3.51Å; A547-F558 HydrophobicContact CB-CZ 4.12Å; R554-F558 PolarHBondContact O-N 2.78Å; R555-F558 WeakPolarHBondContact O-CB 3.49Å; R555-F558 PolarHBondContact O-N 3.06Å; M556-F558 VanDerWaalsContact C-N 3.27Å; M556-F558 PolarHBondContact O-N 3.02Å; F558-E560 VanDerWaalsContact C-N 3.29Å; F558-E560 PolarHBondContact O-N 3.19Å; F558-C561 WeakPolarHBondContact O-CB 3.34Å; F558-C561 PolarHBondContact O-N 2.87Å; F558-C562 VanDerWaalsContact CE1-SG 3.5Å; F558-C562 PolarHBondContact O-N 3.26Å; F558-C562 PolarHBondContact O-SG 3.28Å; F558-L578 HydrophobicContact CE2-CD2 4.01Å; F558-L578 HydrophobicContact CZ-CD2 4.4Å; F558-T581 HydrophobicContact CE1-CG2 4.02Å; F558-T581 HydrophobicContact CE2-CG2 4.39Å; F558-T581 HydrophobicContact CZ-CG2 3.75Å; F558-A582 HydrophobicContact CE1-CB 4.02Å; F558-L585 HydrophobicContact CD1-CD1 3.75Å; F558-L585 HydrophobicContact CE1-CD1 4.23Å |
| 559 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -33.2 | 175.6 | -69.6 | 178.6 | 0 | 0 | 0 | 112.2 | R555 M556 L557 C562 F563 L585 I593 R596 L597 L600 | R555-L559 PolarHBondContact O-N 3.03Å; M556-L559 PolarHBondContact O-N 3.12Å; M556-L559 VanDerWaalsContact O-N 3.1Å; L557-L559 VanDerWaalsContact C-N 3.34Å; L557-L559 PolarHBondContact O-N 2.71Å; L559-C562 WeakPolarHBondContact O-CB 3.45Å; L559-C562 PolarHBondContact O-N 3.17Å; L559-F563 PolarHBondContact O-N 3.37Å; L559-L585 HydrophobicContact CD2-CD1 3.81Å; L559-L585 HydrophobicContact CG-CD1 3.98Å; L559-I593 HydrophobicContact CD1-CG2 3.99Å; L559-R596 HydrophobicContact CB-CG 4.16Å; L559-R596 HydrophobicContact CD1-CB 3.8Å; L559-R596 HydrophobicContact CD1-CG 3.79Å; L559-L597 HydrophobicContact CD1-CB 4.47Å; L559-L597 HydrophobicContact CD2-CD1 4.16Å; L559-L600 HydrophobicContact CB-CD1 4.01Å; L559-L600 HydrophobicContact CD2-CD1 4.4Å; L559-L600 WeakPolarHBondContact O-CD1 3.21Å |
| 560 | E | 97.1 | Very high | 95.8 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68 | -39.2 | 171.4 | -60.2 | -56.1 | 143.8 | 0 | 0 | 112.3 | W512 M556 L557 F558 C562 F563 I564 R596 | W512-E560 HydrophobicContact CH2-CG 3.86Å; W512-E560 HydrophobicContact CZ2-CG 3.77Å; M556-E560 PolarHBondContact O-N 3.37Å; M556-E560 VanDerWaalsContact O-N 3.08Å; L557-E560 WeakPolarHBondContact O-CB 3.38Å; L557-E560 PolarHBondContact O-N 3.34Å; L557-E560 VanDerWaalsContact O-N 3.14Å; F558-E560 VanDerWaalsContact C-N 3.29Å; F558-E560 PolarHBondContact O-N 3.19Å; E560-C562 VanDerWaalsContact C-N 3.29Å; E560-C562 PolarHBondContact O-N 3.05Å; E560-F563 PolarHBondContact O-N 3.33Å; E560-I564 WeakPolarHBondContact O-CB 3.43Å; E560-I564 WeakPolarHBondContact O-CG1 3.33Å; E560-I564 PolarHBondContact O-N 3.13Å; E560-R596 IonicContact OE1-CZ 2.94Å; E560-R596 IonicContact OE1-NE 3.63Å; E560-R596 PolarHBondContact OE1-NE 3.28Å; E560-R596 IonicContact OE1-NH2 3.95Å; E560-R596 PolarHBondContact OE1-NH2 3.2Å; E560-R596 IonicContact OE2-CZ 3.72Å; E560-R596 IonicContact OE2-NH2 2.63Å; E560-R596 PolarHBondContact OE2-NH2 3.44Å |
| 561 | C | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 170.9 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | I519 L542 L557 F558 I564 S565 | I519-C561 HydrophobicContact CG2-CB 4.17Å; L542-C561 HydrophobicContact CD2-CB 4.3Å; L557-C561 PolarHBondContact O-N 2.8Å; L557-C561 PolarHBondContact O-SG 3.06Å; F558-C561 WeakPolarHBondContact O-CB 3.34Å; F558-C561 PolarHBondContact O-N 2.87Å; C561-I564 PolarHBondContact O-N 3.17Å; C561-S565 VanDerWaalsContact O-CB 3.28Å; C561-S565 WeakPolarHBondContact O-CB 3.24Å; C561-S565 PolarHBondContact O-N 3.27Å |
| 562 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -50 | 175.4 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | F558 L559 E560 I564 S565 L566 F574 F604 | F558-C562 VanDerWaalsContact CE1-SG 3.5Å; F558-C562 PolarHBondContact O-N 3.26Å; F558-C562 PolarHBondContact O-SG 3.28Å; L559-C562 WeakPolarHBondContact O-CB 3.45Å; L559-C562 PolarHBondContact O-N 3.17Å; E560-C562 VanDerWaalsContact C-N 3.29Å; E560-C562 PolarHBondContact O-N 3.05Å; C562-I564 PolarHBondContact O-N 3.45Å; C562-S565 PolarHBondContact O-N 3.33Å; C562-S565 PolarHBondContact O-OG 3.21Å; C562-L566 PolarHBondContact O-N 3.03Å; C562-F574 HydrophobicContact CB-CE2 3.82Å; C562-F604 HydrophobicContact CB-CE1 4.24Å; C562-F604 HydrophobicContact CB-CZ 3.87Å |
| 563 | F | 96.4 | Very high | 95.6 | Very high | 84 Ų | 84 | 34.3 Ų | 34.3 | 37% | 0.368 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 178.8 | 178.3 | -111.5 | 0 | 0 | 0 | 112.7 | L559 E560 S565 L566 L600 | L559-F563 PolarHBondContact O-N 3.37Å; E560-F563 PolarHBondContact O-N 3.33Å; F563-S565 VanDerWaalsContact C-N 3.32Å; F563-S565 PolarHBondContact O-N 3.01Å; F563-L566 WeakPolarHBondContact O-CB 3.47Å; F563-L566 PolarHBondContact O-N 3.26Å; F563-L600 HydrophobicContact CB-CD1 4.45Å; F563-L600 HydrophobicContact CB-CD2 3.83Å; F563-L600 HydrophobicContact CD2-CD2 3.55Å; F563-L600 HydrophobicContact CE2-CD2 4.43Å; F563-L600 HydrophobicContact CG-CD2 3.94Å |
| 564 | I | 96.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 179 | -70.6 | 166.6 | 0 | 0 | 0 | 111.1 | I516 I519 K520 E560 C561 C562 L566 T567 I568 | I516-I564 HydrophobicContact CD1-CD1 4.06Å; I516-I564 HydrophobicContact CG2-CD1 4.03Å; I519-I564 HydrophobicContact CB-CD1 4.06Å; I519-I564 HydrophobicContact CG2-CB 4.28Å; I519-I564 HydrophobicContact CG2-CD1 3.61Å; I519-I564 HydrophobicContact CG2-CG2 4.27Å; K520-I564 HydrophobicContact CG-CD1 4.37Å; K520-I564 HydrophobicContact CG-CG2 3.8Å; E560-I564 WeakPolarHBondContact O-CB 3.43Å; E560-I564 WeakPolarHBondContact O-CG1 3.33Å; E560-I564 PolarHBondContact O-N 3.13Å; C561-I564 PolarHBondContact O-N 3.17Å; C562-I564 PolarHBondContact O-N 3.45Å; I564-L566 PolarHBondContact O-N 2.62Å; I564-T567 PolarHBondContact O-N 3.01Å; I564-T567 PolarHBondContact O-OG1 3.09Å; I564-I568 HydrophobicContact CG2-CD1 3.59Å; I564-I568 HydrophobicContact CG2-CG1 4.28Å; I564-I568 PolarHBondContact O-N 2.96Å |
| 565 | S | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -30.8 | -179.5 | 76.3 | 0 | 0 | 0 | 0 | 113.2 | C561 C562 F563 T567 I568 C569 F574 | C561-S565 VanDerWaalsContact O-CB 3.28Å; C561-S565 WeakPolarHBondContact O-CB 3.24Å; C561-S565 PolarHBondContact O-N 3.27Å; C562-S565 PolarHBondContact O-N 3.33Å; C562-S565 PolarHBondContact O-OG 3.21Å; F563-S565 VanDerWaalsContact C-N 3.32Å; F563-S565 PolarHBondContact O-N 3.01Å; S565-T567 PolarHBondContact O-N 3.29Å; S565-I568 PolarHBondContact O-N 3.09Å; S565-C569 WeakPolarHBondContact O-CB 3.45Å; S565-C569 PolarHBondContact O-N 3.19Å; S565-F574 WeakPolarHBondContact OG-CD2 3.45Å |
| 566 | L | 95.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 36 Ų | 36 | 18% | 0.183 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -24.9 | 176.2 | -57.4 | 176.5 | 0 | 0 | 0 | 112.9 | C562 F563 I564 F574 F604 I607 | C562-L566 PolarHBondContact O-N 3.03Å; F563-L566 WeakPolarHBondContact O-CB 3.47Å; F563-L566 PolarHBondContact O-N 3.26Å; I564-L566 PolarHBondContact O-N 2.62Å; L566-F574 HydrophobicContact CD2-CD1 3.67Å; L566-F574 HydrophobicContact CD2-CD2 4.25Å; L566-F574 HydrophobicContact CD2-CE1 3.69Å; L566-F574 HydrophobicContact CD2-CE2 4.3Å; L566-F574 HydrophobicContact CD2-CG 3.93Å; L566-F574 HydrophobicContact CD2-CZ 4.02Å; L566-F604 HydrophobicContact CD1-CD1 3.79Å; L566-F604 HydrophobicContact CD1-CE1 3.94Å; L566-F604 HydrophobicContact CD2-CD1 4.02Å; L566-F604 HydrophobicContact CD2-CE1 4.4Å; L566-F604 HydrophobicContact CG-CD1 4.36Å; L566-F604 HydrophobicContact CG-CE1 4.41Å; L566-I607 HydrophobicContact CD2-CD1 3.73Å; L566-I607 HydrophobicContact CD2-CG1 4.37Å; L566-I607 HydrophobicContact CD2-CG2 4.32Å |
| 567 | T | 93.2 | Very high | 95.2 | Very high | 106 Ų | 106 | 36.4 Ų | 36.4 | 65% | 0.65 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -98.7 | -25.2 | -176.6 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | I564 S565 | I564-T567 PolarHBondContact O-N 3.01Å; I564-T567 PolarHBondContact O-OG1 3.09Å; S565-T567 PolarHBondContact O-N 3.29Å |
| 568 | I | 92.7 | Very high | 95.2 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -111.2 | -37.7 | -170.6 | -62.7 | -178.1 | 0 | 0 | 0 | 112 | K520 T524 I564 S565 | K520-I568 HydrophobicContact CB-CD1 3.85Å; K520-I568 HydrophobicContact CG-CD1 3.78Å; T524-I568 HydrophobicContact CG2-CG2 4.48Å; T524-I568 VanDerWaalsContact OG1-CG2 3.26Å; T524-I568 WeakPolarHBondContact OG1-CG2 3.4Å; I564-I568 HydrophobicContact CG2-CD1 3.59Å; I564-I568 HydrophobicContact CG2-CG1 4.28Å; I564-I568 PolarHBondContact O-N 2.96Å; S565-I568 PolarHBondContact O-N 3.09Å |
| 569 | C | 93.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 8% | 0.081 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -95.6 | 155.7 | -173 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | M523 S565 F573 | M523-C569 WeakPolarHBondContact CE-SG 3.41Å; S565-C569 WeakPolarHBondContact O-CB 3.45Å; S565-C569 PolarHBondContact O-N 3.19Å; C569-F573 HydrophobicContact CB-CB 4.46Å; C569-F573 HydrophobicContact CB-CD1 3.9Å; C569-F573 HydrophobicContact CB-CG 4.45Å |
| 570 | P | 93.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | trans | -54 | 140.9 | 166.6 | -23.9 | 34.1 | 0 | 0 | 0 | 111 | D572 F573 F574 | P570-D572 PolarHBondContact O-N 3.27Å; P570-F573 HydrophobicContact CB-CB 4.44Å; P570-F573 VanDerWaalsContact O-CB 3.3Å; P570-F573 WeakPolarHBondContact O-CB 3.3Å; P570-F573 PolarHBondContact O-N 3.13Å; P570-F574 PolarHBondContact O-N 3.37Å | ||
| 571 | T | 93.8 | Very high | 95.1 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.5 | -36 | -176.3 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | F573 F574 K575 I607 | T571-F573 VanDerWaalsContact C-N 3.32Å; T571-F573 PolarHBondContact O-N 2.72Å; T571-F574 PolarHBondContact O-N 2.92Å; T571-K575 VanDerWaalsContact C-CE 3.49Å; T571-K575 VanDerWaalsContact O-CE 3.29Å; T571-K575 WeakPolarHBondContact O-CE 3.48Å; T571-K575 WeakPolarHBondContact O-CG 3.25Å; T571-K575 PolarHBondContact O-N 3.07Å; T571-I607 HydrophobicContact CG2-CB 4.2Å; T571-I607 HydrophobicContact CG2-CG2 4.4Å |
| 572 | D | 92.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 41% | 0.406 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.5 | -35.4 | 177.3 | -61.9 | -26 | 0 | 0 | 0 | 112.5 | P570 F574 K575 Q576 | P570-D572 PolarHBondContact O-N 3.27Å; D572-F574 VanDerWaalsContact C-N 3.35Å; D572-F574 PolarHBondContact O-N 3.32Å; D572-K575 PolarHBondContact O-N 3.29Å; D572-K575 WeakPolarHBondContact OD1-CE 3.47Å; D572-K575 IonicContact OD1-NZ 3.07Å; D572-K575 PolarHBondContact OD1-NZ 3.34Å; D572-Q576 WeakPolarHBondContact O-CB 3.36Å; D572-Q576 WeakPolarHBondContact O-CG 3.18Å; D572-Q576 PolarHBondContact O-N 2.89Å |
| 573 | F | 94.1 | Very high | 95.1 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.3 | 177.9 | -88.4 | 0 | 0 | 0 | 111.1 | M523 T526 I535 V539 C569 P570 T571 N577 L578 | M523-F573 HydrophobicContact CE-CE1 3.96Å; T526-F573 HydrophobicContact CG2-CE2 4.09Å; T526-F573 HydrophobicContact CG2-CZ 3.66Å; I535-F573 HydrophobicContact CG2-CE2 4.02Å; V539-F573 HydrophobicContact CG2-CE2 4.28Å; V539-F573 HydrophobicContact CG2-CZ 3.9Å; C569-F573 HydrophobicContact CB-CB 4.46Å; C569-F573 HydrophobicContact CB-CD1 3.9Å; C569-F573 HydrophobicContact CB-CG 4.45Å; P570-F573 HydrophobicContact CB-CB 4.44Å; P570-F573 VanDerWaalsContact O-CB 3.3Å; P570-F573 WeakPolarHBondContact O-CB 3.3Å; P570-F573 PolarHBondContact O-N 3.13Å; T571-F573 VanDerWaalsContact C-N 3.32Å; T571-F573 PolarHBondContact O-N 2.72Å; F573-N577 WeakPolarHBondContact CD2-ND2 3.48Å; F573-N577 VanDerWaalsContact O-CB 3.32Å; F573-N577 WeakPolarHBondContact O-CB 3.37Å; F573-N577 PolarHBondContact O-N 2.87Å; F573-N577 VanDerWaalsContact O-N 3.12Å; F573-N577 PolarHBondContact O-ND2 3.22Å; F573-L578 HydrophobicContact CE1-CD1 4.47Å |
| 574 | F | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -48 | 177.9 | 170.7 | -100.2 | 0 | 0 | 0 | 111.9 | C562 S565 L566 P570 T571 D572 Q576 L578 L579 F604 I607 | C562-F574 HydrophobicContact CB-CE2 3.82Å; S565-F574 WeakPolarHBondContact OG-CD2 3.45Å; L566-F574 HydrophobicContact CD2-CD1 3.67Å; L566-F574 HydrophobicContact CD2-CD2 4.25Å; L566-F574 HydrophobicContact CD2-CE1 3.69Å; L566-F574 HydrophobicContact CD2-CE2 4.3Å; L566-F574 HydrophobicContact CD2-CG 3.93Å; L566-F574 HydrophobicContact CD2-CZ 4.02Å; P570-F574 PolarHBondContact O-N 3.37Å; T571-F574 PolarHBondContact O-N 2.92Å; D572-F574 VanDerWaalsContact C-N 3.35Å; D572-F574 PolarHBondContact O-N 3.32Å; F574-Q576 VanDerWaalsContact C-N 3.32Å; F574-Q576 PolarHBondContact O-N 2.69Å; F574-L578 HydrophobicContact CD2-CB 3.67Å; F574-L578 HydrophobicContact CD2-CD1 4.07Å; F574-L578 HydrophobicContact CD2-CG 4.41Å; F574-L578 HydrophobicContact CE2-CB 3.9Å; F574-L578 PolarHBondContact O-N 3.43Å; F574-L579 HydrophobicContact CD1-CB 4.38Å; F574-L579 HydrophobicContact CE1-CB 3.92Å; F574-L579 HydrophobicContact CE1-CD1 4.05Å; F574-L579 HydrophobicContact CE1-CG 4.43Å; F574-L579 HydrophobicContact CZ-CB 4.12Å; F574-L579 HydrophobicContact CZ-CD1 4.14Å; F574-L579 PolarHBondContact O-N 3.22Å; F574-F604 HydrophobicContact CE1-CB 4.43Å; F574-F604 AromaticContact CE1-CD1 3.85Å; F574-F604 HydrophobicContact CE1-CD1 3.85Å; F574-F604 HydrophobicContact CE1-CE1 4.29Å; F574-F604 HydrophobicContact CE1-CG 4.08Å; F574-F604 HydrophobicContact CE2-CD1 4.46Å; F574-F604 HydrophobicContact CE2-CE1 4.09Å; F574-F604 HydrophobicContact CE2-CZ 4.38Å; F574-F604 AromaticContact CZ-CD1 3.47Å; F574-F604 HydrophobicContact CZ-CD1 3.47Å; F574-F604 VanDerWaalsContact CZ-CD1 3.47Å; F574-F604 HydrophobicContact CZ-CD2 4.17Å; F574-F604 AromaticContact CZ-CE1 3.47Å; F574-F604 HydrophobicContact CZ-CE1 3.47Å; F574-F604 VanDerWaalsContact CZ-CE1 3.47Å; F574-F604 HydrophobicContact CZ-CE2 4.17Å; F574-F604 AromaticContact CZ-CG 3.86Å; F574-F604 HydrophobicContact CZ-CG 3.86Å; F574-F604 AromaticContact CZ-CZ 3.84Å; F574-F604 HydrophobicContact CZ-CZ 3.84Å; F574-I607 HydrophobicContact CD1-CD1 3.39Å; F574-I607 HydrophobicContact CE1-CD1 3.82Å; F574-I607 HydrophobicContact CG-CD1 4.43Å |
| 575 | K | 95 | Very high | 95.1 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | -177.8 | -74.4 | 178.6 | -70.8 | 174.7 | 0 | 112.3 | T571 D572 P580 I607 L608 E613 L616 | T571-K575 VanDerWaalsContact C-CE 3.49Å; T571-K575 VanDerWaalsContact O-CE 3.29Å; T571-K575 WeakPolarHBondContact O-CE 3.48Å; T571-K575 WeakPolarHBondContact O-CG 3.25Å; T571-K575 PolarHBondContact O-N 3.07Å; D572-K575 PolarHBondContact O-N 3.29Å; D572-K575 WeakPolarHBondContact OD1-CE 3.47Å; D572-K575 IonicContact OD1-NZ 3.07Å; D572-K575 PolarHBondContact OD1-NZ 3.34Å; K575-P580 WeakPolarHBondContact O-CD 3.47Å; K575-I607 HydrophobicContact CG-CD1 4.16Å; K575-L608 HydrophobicContact CD-CD2 3.91Å; K575-L608 HydrophobicContact CG-CD2 4.34Å; K575-E613 WeakPolarHBondContact CD-OE1 3.48Å; K575-E613 WeakPolarHBondContact CE-OE1 3.49Å; K575-E613 IonicContact NZ-OE1 2.95Å; K575-E613 PolarHBondContact NZ-OE1 3.41Å; K575-E613 IonicContact NZ-OE2 3.97Å; K575-E613 PolarHBondContact NZ-OE2 3.43Å; K575-L616 HydrophobicContact CB-CD1 4.14Å; K575-L616 HydrophobicContact CD-CD1 3.95Å; K575-L616 HydrophobicContact CG-CD1 4.13Å |
| 576 | Q | 93.5 | Very high | 95.1 | Very high | 143 Ų | 143 | 42.8 Ų | 42.8 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -80.6 | -41.2 | -177.3 | -66.8 | 175.2 | 3.7 | 0 | 0 | 112.9 | D572 F574 | D572-Q576 WeakPolarHBondContact O-CB 3.36Å; D572-Q576 WeakPolarHBondContact O-CG 3.18Å; D572-Q576 PolarHBondContact O-N 2.89Å; F574-Q576 VanDerWaalsContact C-N 3.32Å; F574-Q576 PolarHBondContact O-N 2.69Å |
| 577 | N | 94.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -100.4 | -34.5 | -166.5 | -62 | -64.1 | 0 | 0 | 0 | 114.4 | V539 F573 | V539-N577 HydrophobicContact CG1-CB 3.92Å; V539-N577 HydrophobicContact CG2-CB 3.9Å; F573-N577 WeakPolarHBondContact CD2-ND2 3.48Å; F573-N577 VanDerWaalsContact O-CB 3.32Å; F573-N577 WeakPolarHBondContact O-CB 3.37Å; F573-N577 PolarHBondContact O-N 2.87Å; F573-N577 VanDerWaalsContact O-N 3.12Å; F573-N577 PolarHBondContact O-ND2 3.22Å |
| 578 | L | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -40.6 | -169.1 | -60.7 | -175.7 | 0 | 0 | 0 | 112.9 | M523 L542 F558 F573 F574 T581 A582 | M523-L578 HydrophobicContact CE-CD1 3.98Å; L542-L578 HydrophobicContact CB-CD2 4.31Å; L542-L578 HydrophobicContact CD1-CD2 3.91Å; F558-L578 HydrophobicContact CE2-CD2 4.01Å; F558-L578 HydrophobicContact CZ-CD2 4.4Å; F573-L578 HydrophobicContact CE1-CD1 4.47Å; F574-L578 HydrophobicContact CD2-CB 3.67Å; F574-L578 HydrophobicContact CD2-CD1 4.07Å; F574-L578 HydrophobicContact CD2-CG 4.41Å; F574-L578 HydrophobicContact CE2-CB 3.9Å; F574-L578 PolarHBondContact O-N 3.43Å; L578-T581 PolarHBondContact O-N 2.98Å; L578-A582 PolarHBondContact O-N 3.43Å |
| 579 | L | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.3 | -47.9 | -178 | 179.1 | 64 | 0 | 0 | 0 | 112.8 | F574 T581 A582 L583 F604 L616 | F574-L579 HydrophobicContact CD1-CB 4.38Å; F574-L579 HydrophobicContact CE1-CB 3.92Å; F574-L579 HydrophobicContact CE1-CD1 4.05Å; F574-L579 HydrophobicContact CE1-CG 4.43Å; F574-L579 HydrophobicContact CZ-CB 4.12Å; F574-L579 HydrophobicContact CZ-CD1 4.14Å; F574-L579 PolarHBondContact O-N 3.22Å; L579-T581 PolarHBondContact O-N 3.18Å; L579-A582 PolarHBondContact O-N 3.07Å; L579-A582 VanDerWaalsContact O-N 3.09Å; L579-L583 HydrophobicContact CD1-CD1 4.16Å; L579-L583 HydrophobicContact CD1-CD2 4.08Å; L579-L583 HydrophobicContact CD1-CG 3.89Å; L579-L583 HydrophobicContact CG-CD1 4.18Å; L579-L583 HydrophobicContact CG-CG 4.27Å; L579-L583 WeakPolarHBondContact O-CG 3.28Å; L579-L583 PolarHBondContact O-N 3.37Å; L579-F604 HydrophobicContact CD1-CB 4.38Å; L579-F604 HydrophobicContact CD1-CD2 3.94Å; L579-F604 HydrophobicContact CD1-CG 4.34Å; L579-L616 HydrophobicContact CD2-CD1 4.47Å; L579-L616 HydrophobicContact CD2-CD2 4.37Å |
| 580 | P | 96.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 31% | 0.312 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -35.6 | -178.3 | -23.9 | 35.1 | 0 | 0 | 0 | 112.7 | K575 K584 | K575-P580 WeakPolarHBondContact O-CD 3.47Å; P580-K584 WeakPolarHBondContact O-CG 3.4Å; P580-K584 PolarHBondContact O-N 3.01Å |
| 581 | T | 96.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 15% | 0.153 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.7 | -37.2 | 177.6 | -57 | 0 | 0 | 0 | 0 | 111.5 | T543 A547 F558 L578 L579 L583 K584 | T543-T581 HydrophobicContact CG2-CG2 4.06Å; T543-T581 WeakPolarHBondContact CG2-OG1 3.37Å; A547-T581 HydrophobicContact CB-CG2 3.47Å; A547-T581 VanDerWaalsContact CB-CG2 3.47Å; F558-T581 HydrophobicContact CE1-CG2 4.02Å; F558-T581 HydrophobicContact CE2-CG2 4.39Å; F558-T581 HydrophobicContact CZ-CG2 3.75Å; L578-T581 PolarHBondContact O-N 2.98Å; L579-T581 PolarHBondContact O-N 3.18Å; T581-L583 VanDerWaalsContact C-N 3.34Å; T581-L583 PolarHBondContact O-N 3.25Å; T581-K584 PolarHBondContact O-N 2.87Å |
| 582 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F558 L578 L579 K584 L585 L597 F604 | F558-A582 HydrophobicContact CE1-CB 4.02Å; L578-A582 PolarHBondContact O-N 3.43Å; L579-A582 PolarHBondContact O-N 3.07Å; L579-A582 VanDerWaalsContact O-N 3.09Å; A582-K584 VanDerWaalsContact C-N 3.3Å; A582-K584 PolarHBondContact O-N 3.27Å; A582-L585 WeakPolarHBondContact O-CB 3.45Å; A582-L585 PolarHBondContact O-N 2.97Å; A582-L585 VanDerWaalsContact O-N 3.1Å; A582-L597 WeakPolarHBondContact O-CD2 3.42Å; A582-F604 HydrophobicContact CB-CE2 4.22Å |
| 583 | L | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -30.4 | 178.9 | -69.5 | -171.5 | 0 | 0 | 0 | 113.4 | L579 T581 L585 A586 L601 E619 M620 S623 | L579-L583 HydrophobicContact CD1-CD1 4.16Å; L579-L583 HydrophobicContact CD1-CD2 4.08Å; L579-L583 HydrophobicContact CD1-CG 3.89Å; L579-L583 HydrophobicContact CG-CD1 4.18Å; L579-L583 HydrophobicContact CG-CG 4.27Å; L579-L583 WeakPolarHBondContact O-CG 3.28Å; L579-L583 PolarHBondContact O-N 3.37Å; T581-L583 VanDerWaalsContact C-N 3.34Å; T581-L583 PolarHBondContact O-N 3.25Å; L583-L585 PolarHBondContact O-N 2.88Å; L583-A586 VanDerWaalsContact O-CB 3.25Å; L583-A586 WeakPolarHBondContact O-CB 3.35Å; L583-A586 PolarHBondContact O-N 3.23Å; L583-L601 HydrophobicContact CD2-CD2 3.78Å; L583-E619 HydrophobicContact CD1-CB 3.87Å; L583-M620 HydrophobicContact CD1-CG 4.05Å; L583-M620 HydrophobicContact CD2-CG 4.04Å; L583-S623 WeakPolarHBondContact CB-OG 3.45Å; L583-S623 PolarHBondContact O-OG 3.39Å |
| 584 | K | 95.9 | Very high | 96 | Very high | 159 Ų | 159 | 45.7 Ų | 45.7 | 69% | 0.691 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.7 | -25.1 | 173.4 | -69.4 | 172.1 | -174.1 | 177.2 | 0 | 112.9 | P580 T581 A582 A586 Q587 | P580-K584 WeakPolarHBondContact O-CG 3.4Å; P580-K584 PolarHBondContact O-N 3.01Å; T581-K584 PolarHBondContact O-N 2.87Å; A582-K584 VanDerWaalsContact C-N 3.3Å; A582-K584 PolarHBondContact O-N 3.27Å; K584-A586 PolarHBondContact O-N 3.08Å; K584-Q587 PolarHBondContact O-N 2.96Å |
| 585 | L | 97.1 | Very high | 96 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -72.4 | -3.4 | 177.2 | -62 | 176.1 | 0 | 0 | 0 | 113.4 | F558 L559 A582 L583 Q587 D588 I593 L597 | F558-L585 HydrophobicContact CD1-CD1 3.75Å; F558-L585 HydrophobicContact CE1-CD1 4.23Å; L559-L585 HydrophobicContact CD2-CD1 3.81Å; L559-L585 HydrophobicContact CG-CD1 3.98Å; A582-L585 WeakPolarHBondContact O-CB 3.45Å; A582-L585 PolarHBondContact O-N 2.97Å; A582-L585 VanDerWaalsContact O-N 3.1Å; L583-L585 PolarHBondContact O-N 2.88Å; L585-Q587 PolarHBondContact O-N 3.11Å; L585-D588 VanDerWaalsContact O-CB 3.28Å; L585-D588 WeakPolarHBondContact O-CB 3.29Å; L585-D588 PolarHBondContact O-N 3.17Å; L585-I593 HydrophobicContact CB-CG2 4.06Å; L585-I593 HydrophobicContact CD1-CG2 4.36Å; L585-I593 HydrophobicContact CD2-CG2 4.48Å; L585-L597 HydrophobicContact CB-CD2 4.38Å |
| 586 | A | 96.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -58.2 | -29.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | L583 K584 R594 L597 I627 | L583-A586 VanDerWaalsContact O-CB 3.25Å; L583-A586 WeakPolarHBondContact O-CB 3.35Å; L583-A586 PolarHBondContact O-N 3.23Å; K584-A586 PolarHBondContact O-N 3.08Å; A586-R594 WeakPolarHBondContact O-CD 3.43Å; A586-L597 HydrophobicContact CB-CD2 3.94Å; A586-L597 VanDerWaalsContact N-CD2 3.33Å; A586-I627 HydrophobicContact CB-CD1 4.25Å; A586-I627 HydrophobicContact CB-CG1 3.68Å |
| 587 | Q | 95.2 | Very high | 96.3 | Very high | 120 Ų | 120 | 45.2 Ų | 45.2 | 56% | 0.561 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -99.5 | 15.3 | 176.8 | -61.4 | -54.8 | -40.9 | 0 | 0 | 113.5 | K584 L585 S626 | K584-Q587 PolarHBondContact O-N 2.96Å; L585-Q587 PolarHBondContact O-N 3.11Å; Q587-S626 VanDerWaalsContact NE2-C 3.25Å; Q587-S626 PolarHBondContact NE2-O 2.91Å; Q587-S626 PolarHBondContact NE2-OG 2.95Å |
| 588 | D | 96.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | trans | -58.1 | 138.5 | -179.9 | -164.8 | -77 | 0 | 0 | 0 | 110.9 | R555 L585 V590 I593 R594 | R555-D588 WeakPolarHBondContact CD-OD2 3.49Å; R555-D588 IonicContact CZ-OD1 3.99Å; R555-D588 IonicContact CZ-OD2 2.91Å; R555-D588 IonicContact NE-OD1 2.62Å; R555-D588 IonicContact NE-OD2 2.76Å; R555-D588 PolarHBondContact NE-OD2 3.45Å; R555-D588 IonicContact NH2-OD1 3.48Å; R555-D588 PolarHBondContact NH2-OD1 3.2Å; R555-D588 IonicContact NH2-OD2 3.98Å; R555-D588 PolarHBondContact NH2-OD2 3Å; L585-D588 VanDerWaalsContact O-CB 3.28Å; L585-D588 WeakPolarHBondContact O-CB 3.29Å; L585-D588 PolarHBondContact O-N 3.17Å; D588-V590 PolarHBondContact O-N 3.36Å; D588-V590 WeakPolarHBondContact OD1-CB 3.22Å; D588-V590 PolarHBondContact OD1-N 2.98Å; D588-I593 HydrophobicContact CB-CB 3.93Å; D588-I593 HydrophobicContact CB-CG2 3.66Å; D588-R594 HydrophobicContact CB-CG 4.2Å; D588-R594 WeakPolarHBondContact O-CD 3.2Å; D588-R594 PolarHBondContact O-NH1 3.5Å | ||
| 589 | P | 94.9 | Very high | 96.4 | Very high | 112 Ų | 112 | 45.4 Ų | 45.4 | 73% | 0.727 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -60.3 | -28.1 | 177.7 | 22.4 | -34.3 | 0 | 0 | 0 | 113.7 | R594 | P589-R594 PolarHBondContact O-NH1 3.46Å; P589-R594 VanDerWaalsContact O-NH1 3.12Å |
| 590 | V | 95.7 | Very high | 96.4 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 26% | 0.261 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -89.7 | 120.9 | -176 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | Y552 D588 D592 I593 R594 | Y552-V590 HydrophobicContact CD2-CG1 4.44Å; Y552-V590 HydrophobicContact CG-CG1 4.48Å; D588-V590 PolarHBondContact O-N 3.36Å; D588-V590 WeakPolarHBondContact OD1-CB 3.22Å; D588-V590 PolarHBondContact OD1-N 2.98Å; V590-D592 VanDerWaalsContact C-N 3.26Å; V590-D592 HydrophobicContact CG1-CB 4.33Å; V590-D592 PolarHBondContact O-N 3.32Å; V590-I593 HydrophobicContact CB-CG1 3.99Å; V590-I593 HydrophobicContact CG1-CG1 4.19Å; V590-I593 WeakPolarHBondContact O-CB 3.42Å; V590-I593 PolarHBondContact O-N 3.28Å; V590-I593 VanDerWaalsContact O-N 3.15Å; V590-R594 PolarHBondContact O-N 3.21Å |
| 591 | K | 94 | Very high | 96.4 | Very high | 108 Ų | 108 | 43.2 Ų | 43.2 | 47% | 0.47 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57 | -35.8 | -177.6 | 67.8 | 176.1 | -174.3 | 173.3 | 0 | 113.7 | I593 R594 Y595 F629 | K591-I593 VanDerWaalsContact C-N 3.29Å; K591-I593 PolarHBondContact O-N 3.05Å; K591-R594 PolarHBondContact O-N 3.18Å; K591-Y595 WeakPolarHBondContact O-CB 3.34Å; K591-Y595 PolarHBondContact O-N 3.22Å; K591-F629 HydrophobicContact CB-CD1 4.49Å |
| 592 | D | 95.1 | Very high | 96.3 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.4 | -29.8 | -176.7 | -61.8 | -18.1 | 0 | 0 | 0 | 111.7 | M556 V590 R596 | M556-D592 HydrophobicContact CE-CB 4.16Å; V590-D592 VanDerWaalsContact C-N 3.26Å; V590-D592 HydrophobicContact CG1-CB 4.33Å; V590-D592 PolarHBondContact O-N 3.32Å; D592-R596 WeakPolarHBondContact O-CB 3.27Å; D592-R596 PolarHBondContact O-N 2.94Å |
| 593 | I | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.1 | -48.7 | 173.7 | -59.9 | -66.1 | 0 | 0 | 0 | 109.8 | Y552 R555 M556 L559 L585 D588 V590 K591 Y595 R596 L597 | Y552-I593 WeakPolarHBondContact O-CD1 3.41Å; R555-I593 HydrophobicContact CB-CD1 4.01Å; M556-I593 HydrophobicContact CB-CD1 3.84Å; M556-I593 HydrophobicContact CE-CD1 3.8Å; M556-I593 HydrophobicContact SD-CD1 4.22Å; L559-I593 HydrophobicContact CD1-CG2 3.99Å; L585-I593 HydrophobicContact CB-CG2 4.06Å; L585-I593 HydrophobicContact CD1-CG2 4.36Å; L585-I593 HydrophobicContact CD2-CG2 4.48Å; D588-I593 HydrophobicContact CB-CB 3.93Å; D588-I593 HydrophobicContact CB-CG2 3.66Å; V590-I593 HydrophobicContact CB-CG1 3.99Å; V590-I593 HydrophobicContact CG1-CG1 4.19Å; V590-I593 WeakPolarHBondContact O-CB 3.42Å; V590-I593 PolarHBondContact O-N 3.28Å; V590-I593 VanDerWaalsContact O-N 3.15Å; K591-I593 VanDerWaalsContact C-N 3.29Å; K591-I593 PolarHBondContact O-N 3.05Å; I593-Y595 VanDerWaalsContact C-N 3.29Å; I593-Y595 PolarHBondContact O-N 2.96Å; I593-R596 PolarHBondContact O-N 3.4Å; I593-L597 PolarHBondContact O-N 3.05Å |
| 594 | R | 97 | Very high | 96.2 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 175.6 | -58.5 | -164 | -60.7 | -90.5 | 10.2 | 111.6 | A586 D588 P589 V590 K591 L597 C598 I627 A628 F629 | A586-R594 WeakPolarHBondContact O-CD 3.43Å; D588-R594 HydrophobicContact CB-CG 4.2Å; D588-R594 WeakPolarHBondContact O-CD 3.2Å; D588-R594 PolarHBondContact O-NH1 3.5Å; P589-R594 PolarHBondContact O-NH1 3.46Å; P589-R594 VanDerWaalsContact O-NH1 3.12Å; V590-R594 PolarHBondContact O-N 3.21Å; K591-R594 PolarHBondContact O-N 3.18Å; R594-L597 PolarHBondContact O-N 3.24Å; R594-C598 PolarHBondContact O-N 3.45Å; R594-C598 PolarHBondContact O-SG 3.02Å; R594-I627 HydrophobicContact CB-CG2 4.09Å; R594-A628 VanDerWaalsContact CZ-O 3.26Å; R594-A628 PolarHBondContact NE-O 3.39Å; R594-A628 PolarHBondContact NH2-O 3.49Å; R594-F629 HydrophobicContact CB-CE1 3.93Å; R594-F629 HydrophobicContact CB-CZ 4.06Å |
| 595 | Y | 96.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.4 | 179.9 | -89.8 | 0 | 0 | 0 | 112 | K591 I593 L597 C598 V599 C636 L639 | K591-Y595 WeakPolarHBondContact O-CB 3.34Å; K591-Y595 PolarHBondContact O-N 3.22Å; I593-Y595 VanDerWaalsContact C-N 3.29Å; I593-Y595 PolarHBondContact O-N 2.96Å; Y595-L597 VanDerWaalsContact C-N 3.32Å; Y595-L597 PolarHBondContact O-N 2.76Å; Y595-C598 WeakPolarHBondContact O-CB 3.35Å; Y595-C598 PolarHBondContact O-N 2.76Å; Y595-V599 HydrophobicContact CD1-CG2 4.27Å; Y595-V599 HydrophobicContact CE1-CG2 3.88Å; Y595-V599 WeakPolarHBondContact O-CG2 3.33Å; Y595-V599 PolarHBondContact O-N 3.34Å; Y595-V599 VanDerWaalsContact O-N 3.11Å; Y595-C636 HydrophobicContact CD2-CB 3.95Å; Y595-C636 VanDerWaalsContact CD2-SG 3.55Å; Y595-L639 HydrophobicContact CD2-CD2 3.79Å; Y595-L639 HydrophobicContact CE1-CD2 4.19Å; Y595-L639 HydrophobicContact CE2-CB 4.09Å; Y595-L639 HydrophobicContact CE2-CD2 3.3Å; Y595-L639 HydrophobicContact CE2-CG 4.31Å; Y595-L639 HydrophobicContact CG-CD2 4.43Å |
| 596 | R | 97.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -41 | 177.8 | -176.8 | 62.9 | 166.7 | 155.9 | 0.8 | 111.4 | M556 L559 E560 D592 I593 V599 L600 | M556-R596 HydrophobicContact CE-CB 4.17Å; M556-R596 HydrophobicContact SD-CB 3.76Å; M556-R596 HydrophobicContact SD-CG 3.66Å; L559-R596 HydrophobicContact CB-CG 4.16Å; L559-R596 HydrophobicContact CD1-CB 3.8Å; L559-R596 HydrophobicContact CD1-CG 3.79Å; E560-R596 IonicContact OE1-CZ 2.94Å; E560-R596 IonicContact OE1-NE 3.63Å; E560-R596 PolarHBondContact OE1-NE 3.28Å; E560-R596 IonicContact OE1-NH2 3.95Å; E560-R596 PolarHBondContact OE1-NH2 3.2Å; E560-R596 IonicContact OE2-CZ 3.72Å; E560-R596 IonicContact OE2-NH2 2.63Å; E560-R596 PolarHBondContact OE2-NH2 3.44Å; D592-R596 WeakPolarHBondContact O-CB 3.27Å; D592-R596 PolarHBondContact O-N 2.94Å; I593-R596 PolarHBondContact O-N 3.4Å; R596-V599 WeakPolarHBondContact O-CB 3.27Å; R596-V599 PolarHBondContact O-N 2.91Å; R596-L600 HydrophobicContact CG-CD1 4.24Å; R596-L600 WeakPolarHBondContact O-CG 3.36Å; R596-L600 PolarHBondContact O-N 3.42Å |
| 597 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 174.3 | -179.4 | 62.9 | 0 | 0 | 0 | 111.4 | L559 A582 L585 A586 I593 R594 Y595 V599 L600 L601 F604 I627 | L559-L597 HydrophobicContact CD1-CB 4.47Å; L559-L597 HydrophobicContact CD2-CD1 4.16Å; A582-L597 WeakPolarHBondContact O-CD2 3.42Å; L585-L597 HydrophobicContact CB-CD2 4.38Å; A586-L597 HydrophobicContact CB-CD2 3.94Å; A586-L597 VanDerWaalsContact N-CD2 3.33Å; I593-L597 PolarHBondContact O-N 3.05Å; R594-L597 PolarHBondContact O-N 3.24Å; Y595-L597 VanDerWaalsContact C-N 3.32Å; Y595-L597 PolarHBondContact O-N 2.76Å; L597-V599 VanDerWaalsContact C-N 3.26Å; L597-V599 PolarHBondContact O-N 2.82Å; L597-L600 PolarHBondContact O-N 3.43Å; L597-L601 HydrophobicContact CD1-CD2 4.48Å; L597-L601 HydrophobicContact CD1-CG 4.44Å; L597-L601 HydrophobicContact CG-CG 4.37Å; L597-L601 WeakPolarHBondContact O-CG 3.3Å; L597-L601 PolarHBondContact O-N 3.37Å; L597-F604 HydrophobicContact CD1-CE2 3.96Å; L597-I627 HydrophobicContact CD2-CD1 4.27Å |
| 598 | C | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.1 | -42.8 | 173.9 | -75.6 | 0 | 0 | 0 | 0 | 112.6 | R594 Y595 L600 P602 I627 L639 | R594-C598 PolarHBondContact O-N 3.45Å; R594-C598 PolarHBondContact O-SG 3.02Å; Y595-C598 WeakPolarHBondContact O-CB 3.35Å; Y595-C598 PolarHBondContact O-N 2.76Å; C598-L600 VanDerWaalsContact C-N 3.27Å; C598-L600 PolarHBondContact O-N 2.96Å; C598-P602 WeakPolarHBondContact O-CD 3.3Å; C598-I627 WeakPolarHBondContact SG-CD1 3.32Å; C598-L639 HydrophobicContact CB-CD2 4.24Å |
| 599 | V | 96.1 | Very high | 95.3 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 32% | 0.321 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -33.5 | 178 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | Y595 R596 L597 L639 | Y595-V599 HydrophobicContact CD1-CG2 4.27Å; Y595-V599 HydrophobicContact CE1-CG2 3.88Å; Y595-V599 WeakPolarHBondContact O-CG2 3.33Å; Y595-V599 PolarHBondContact O-N 3.34Å; Y595-V599 VanDerWaalsContact O-N 3.11Å; R596-V599 WeakPolarHBondContact O-CB 3.27Å; R596-V599 PolarHBondContact O-N 2.91Å; L597-V599 VanDerWaalsContact C-N 3.26Å; L597-V599 PolarHBondContact O-N 2.82Å; V599-L639 HydrophobicContact CG2-CD2 3.46Å; V599-L639 VanDerWaalsContact CG2-CD2 3.46Å |
| 600 | L | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -88.3 | -24.2 | -174.7 | -65.1 | 176.4 | 0 | 0 | 0 | 113.9 | L559 F563 R596 L597 C598 S603 F604 | L559-L600 HydrophobicContact CB-CD1 4.01Å; L559-L600 HydrophobicContact CD2-CD1 4.4Å; L559-L600 WeakPolarHBondContact O-CD1 3.21Å; F563-L600 HydrophobicContact CB-CD1 4.45Å; F563-L600 HydrophobicContact CB-CD2 3.83Å; F563-L600 HydrophobicContact CD2-CD2 3.55Å; F563-L600 HydrophobicContact CE2-CD2 4.43Å; F563-L600 HydrophobicContact CG-CD2 3.94Å; R596-L600 HydrophobicContact CG-CD1 4.24Å; R596-L600 WeakPolarHBondContact O-CG 3.36Å; R596-L600 PolarHBondContact O-N 3.42Å; L597-L600 PolarHBondContact O-N 3.43Å; C598-L600 VanDerWaalsContact C-N 3.27Å; C598-L600 PolarHBondContact O-N 2.96Å; L600-S603 WeakPolarHBondContact O-CA 3.38Å; L600-S603 WeakPolarHBondContact O-CB 3.46Å; L600-S603 PolarHBondContact O-N 3.03Å; L600-F604 HydrophobicContact CB-CE1 3.99Å; L600-F604 HydrophobicContact CB-CE2 4.03Å; L600-F604 HydrophobicContact CB-CZ 3.66Å; L600-F604 HydrophobicContact CD1-CZ 4.11Å; L600-F604 HydrophobicContact CG-CZ 4.48Å; L600-F604 PolarHBondContact O-N 3.23Å |
| 601 | L | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54 | -43.1 | -177.4 | -79.5 | 171.3 | 0 | 0 | 0 | 114.1 | L583 L597 S603 F604 K605 M620 L624 I627 V643 F647 | L583-L601 HydrophobicContact CD2-CD2 3.78Å; L597-L601 HydrophobicContact CD1-CD2 4.48Å; L597-L601 HydrophobicContact CD1-CG 4.44Å; L597-L601 HydrophobicContact CG-CG 4.37Å; L597-L601 WeakPolarHBondContact O-CG 3.3Å; L597-L601 PolarHBondContact O-N 3.37Å; L601-S603 VanDerWaalsContact C-N 3.3Å; L601-S603 PolarHBondContact O-N 2.9Å; L601-F604 HydrophobicContact CD2-CD2 4.21Å; L601-F604 WeakPolarHBondContact O-CB 3.33Å; L601-F604 PolarHBondContact O-N 3.33Å; L601-F604 VanDerWaalsContact O-N 3.14Å; L601-K605 PolarHBondContact O-N 2.92Å; L601-M620 HydrophobicContact CB-CE 4.42Å; L601-M620 HydrophobicContact CD2-CB 4.48Å; L601-M620 HydrophobicContact CD2-CE 3.66Å; L601-M620 HydrophobicContact CD2-CG 4.49Å; L601-M620 WeakPolarHBondContact O-CE 3.34Å; L601-L624 HydrophobicContact CD1-CB 4.03Å; L601-L624 HydrophobicContact CD1-CD1 3.78Å; L601-L624 HydrophobicContact CD1-CG 4.41Å; L601-I627 HydrophobicContact CD1-CD1 4.22Å; L601-V643 HydrophobicContact CB-CG1 4.48Å; L601-F647 HydrophobicContact CB-CE2 4.21Å; L601-F647 HydrophobicContact CB-CZ 4.09Å |
| 602 | P | 94.8 | Very high | 94 | Very high | 26 Ų | 26 | 50 Ų | 50 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 173.8 | -27.6 | 36.5 | 0 | 0 | 0 | 113.2 | C598 F604 K605 A606 V643 | C598-P602 WeakPolarHBondContact O-CD 3.3Å; P602-F604 VanDerWaalsContact C-N 3.33Å; P602-F604 PolarHBondContact O-N 3.04Å; P602-K605 PolarHBondContact O-N 3Å; P602-A606 PolarHBondContact O-N 3.38Å; P602-V643 HydrophobicContact CG-CG1 4.06Å; P602-V643 HydrophobicContact CG-CG2 4.25Å |
| 603 | S | 95.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | 176.5 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | L600 L601 | L600-S603 WeakPolarHBondContact O-CA 3.38Å; L600-S603 WeakPolarHBondContact O-CB 3.46Å; L600-S603 PolarHBondContact O-N 3.03Å; L601-S603 VanDerWaalsContact C-N 3.3Å; L601-S603 PolarHBondContact O-N 2.9Å |
| 604 | F | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -35.1 | 173.5 | -61 | -12.9 | 0 | 0 | 0 | 111.7 | C562 L566 F574 L579 A582 L597 L600 L601 P602 I607 M620 | C562-F604 HydrophobicContact CB-CE1 4.24Å; C562-F604 HydrophobicContact CB-CZ 3.87Å; L566-F604 HydrophobicContact CD1-CD1 3.79Å; L566-F604 HydrophobicContact CD1-CE1 3.94Å; L566-F604 HydrophobicContact CD2-CD1 4.02Å; L566-F604 HydrophobicContact CD2-CE1 4.4Å; L566-F604 HydrophobicContact CG-CD1 4.36Å; L566-F604 HydrophobicContact CG-CE1 4.41Å; F574-F604 HydrophobicContact CE1-CB 4.43Å; F574-F604 AromaticContact CE1-CD1 3.85Å; F574-F604 HydrophobicContact CE1-CD1 3.85Å; F574-F604 HydrophobicContact CE1-CE1 4.29Å; F574-F604 HydrophobicContact CE1-CG 4.08Å; F574-F604 HydrophobicContact CE2-CD1 4.46Å; F574-F604 HydrophobicContact CE2-CE1 4.09Å; F574-F604 HydrophobicContact CE2-CZ 4.38Å; F574-F604 AromaticContact CZ-CD1 3.47Å; F574-F604 HydrophobicContact CZ-CD1 3.47Å; F574-F604 VanDerWaalsContact CZ-CD1 3.47Å; F574-F604 HydrophobicContact CZ-CD2 4.17Å; F574-F604 AromaticContact CZ-CE1 3.47Å; F574-F604 HydrophobicContact CZ-CE1 3.47Å; F574-F604 VanDerWaalsContact CZ-CE1 3.47Å; F574-F604 HydrophobicContact CZ-CE2 4.17Å; F574-F604 AromaticContact CZ-CG 3.86Å; F574-F604 HydrophobicContact CZ-CG 3.86Å; F574-F604 AromaticContact CZ-CZ 3.84Å; F574-F604 HydrophobicContact CZ-CZ 3.84Å; L579-F604 HydrophobicContact CD1-CB 4.38Å; L579-F604 HydrophobicContact CD1-CD2 3.94Å; L579-F604 HydrophobicContact CD1-CG 4.34Å; A582-F604 HydrophobicContact CB-CE2 4.22Å; L597-F604 HydrophobicContact CD1-CE2 3.96Å; L600-F604 HydrophobicContact CB-CE1 3.99Å; L600-F604 HydrophobicContact CB-CE2 4.03Å; L600-F604 HydrophobicContact CB-CZ 3.66Å; L600-F604 HydrophobicContact CD1-CZ 4.11Å; L600-F604 HydrophobicContact CG-CZ 4.48Å; L600-F604 PolarHBondContact O-N 3.23Å; L601-F604 HydrophobicContact CD2-CD2 4.21Å; L601-F604 WeakPolarHBondContact O-CB 3.33Å; L601-F604 PolarHBondContact O-N 3.33Å; L601-F604 VanDerWaalsContact O-N 3.14Å; P602-F604 VanDerWaalsContact C-N 3.33Å; P602-F604 PolarHBondContact O-N 3.04Å; F604-I607 WeakPolarHBondContact O-CG1 3.4Å; F604-M620 HydrophobicContact CB-CE 3.44Å; F604-M620 VanDerWaalsContact CB-CE 3.44Å; F604-M620 HydrophobicContact CB-SD 4.26Å |
| 605 | K | 93.9 | Very high | 93.3 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 177.3 | 176 | 178 | 174.8 | 175.8 | 0 | 111 | L601 P602 I607 L608 L617 M620 E646 F647 | L601-K605 PolarHBondContact O-N 2.92Å; P602-K605 PolarHBondContact O-N 3Å; K605-I607 PolarHBondContact O-N 2.92Å; K605-L608 PolarHBondContact O-N 3.32Å; K605-L608 VanDerWaalsContact O-N 3.17Å; K605-L617 HydrophobicContact CD-CD1 4.18Å; K605-L617 HydrophobicContact CG-CD1 4.18Å; K605-M620 HydrophobicContact CB-CE 4.05Å; K605-E646 PolarHBondContact NZ-O 3.25Å; K605-F647 HydrophobicContact CB-CE1 4.13Å; K605-F647 HydrophobicContact CB-CE2 4.38Å; K605-F647 HydrophobicContact CB-CZ 3.67Å; K605-F647 HydrophobicContact CD-CD1 4.07Å; K605-F647 HydrophobicContact CD-CD2 4.27Å; K605-F647 HydrophobicContact CD-CE1 3.76Å; K605-F647 HydrophobicContact CD-CE2 3.98Å; K605-F647 HydrophobicContact CD-CG 4.34Å; K605-F647 HydrophobicContact CD-CZ 3.71Å; K605-F647 HydrophobicContact CG-CE1 4.32Å; K605-F647 HydrophobicContact CG-CZ 4.23Å |
| 606 | A | 93.6 | Very high | 93.1 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63 | -21.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P602 | P602-A606 PolarHBondContact O-N 3.38Å |
| 607 | I | 93.5 | Very high | 92.9 | Very high | 35 Ų | 35 | 50.5 Ų | 50.5 | 18% | 0.179 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -5 | 179.1 | 61.7 | 152.4 | 0 | 0 | 0 | 113.9 | L566 T571 F574 K575 F604 K605 | L566-I607 HydrophobicContact CD2-CD1 3.73Å; L566-I607 HydrophobicContact CD2-CG1 4.37Å; L566-I607 HydrophobicContact CD2-CG2 4.32Å; T571-I607 HydrophobicContact CG2-CB 4.2Å; T571-I607 HydrophobicContact CG2-CG2 4.4Å; F574-I607 HydrophobicContact CD1-CD1 3.39Å; F574-I607 HydrophobicContact CE1-CD1 3.82Å; F574-I607 HydrophobicContact CG-CD1 4.43Å; K575-I607 HydrophobicContact CG-CD1 4.16Å; F604-I607 WeakPolarHBondContact O-CG1 3.4Å; K605-I607 PolarHBondContact O-N 2.92Å |
| 608 | L | 92.3 | Very high | 92.7 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | trans | -78.4 | 136.7 | 179.9 | -62 | -176.7 | 0 | 0 | 0 | 111.2 | K575 K605 L610 E613 L616 L617 M620 | K575-L608 HydrophobicContact CD-CD2 3.91Å; K575-L608 HydrophobicContact CG-CD2 4.34Å; K605-L608 PolarHBondContact O-N 3.32Å; K605-L608 VanDerWaalsContact O-N 3.17Å; L608-L610 PolarHBondContact O-N 2.96Å; L608-E613 WeakPolarHBondContact CA-OE2 3.09Å; L608-E613 HydrophobicContact CB-CB 4.46Å; L608-E613 HydrophobicContact CD2-CB 4.43Å; L608-L616 HydrophobicContact CD1-CB 4.28Å; L608-L616 HydrophobicContact CD2-CB 4Å; L608-L616 HydrophobicContact CD2-CD1 3.91Å; L608-L617 HydrophobicContact CD1-CB 4.03Å; L608-L617 HydrophobicContact CD1-CD1 4.49Å; L608-M620 HydrophobicContact CD1-SD 3.82Å | ||
| 609 | K | 89.3 | Confident | 92.6 | Very high | 119 Ų | 119 | 55.9 Ų | 55.9 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | trans | -86.4 | 101.1 | 170.9 | -65.5 | 178.7 | -178.8 | 174.3 | 0 | 109.4 | E612 E613 | K609-E612 PolarHBondContact O-N 3.09Å; K609-E613 HydrophobicContact CB-CG 4.28Å; K609-E613 PolarHBondContact N-OE2 3.04Å; K609-E613 WeakPolarHBondContact O-CB 3.24Å; K609-E613 PolarHBondContact O-N 2.92Å | ||
| 610 | L | 86.9 | Confident | 92.5 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 140.5 | 176.9 | -62.1 | 175.9 | 0 | 0 | 0 | 110.6 | L608 L617 | L608-L610 PolarHBondContact O-N 2.96Å; L610-L617 HydrophobicContact CD1-CD2 4.13Å; L610-L617 HydrophobicContact CD2-CB 4.31Å; L610-L617 HydrophobicContact CD2-CD2 3.99Å |
| 611 | P | 85.5 | Confident | 92.4 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 73% | 0.734 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.3 | -1.8 | 8.7 | 35.8 | -35.5 | 0 | 0 | 0 | 115.5 | E613 N614 | P611-E613 VanDerWaalsContact C-N 3.28Å; P611-E613 PolarHBondContact O-N 3.31Å; P611-N614 WeakPolarHBondContact O-CB 3.38Å; P611-N614 PolarHBondContact O-N 3.33Å |
| 612 | E | 86.2 | Confident | 92.3 | Very high | 159 Ų | 159 | 61.3 Ų | 61.3 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -39.4 | -174 | -62.9 | 173.9 | 177.8 | 0 | 0 | 112.9 | K609 N614 | K609-E612 PolarHBondContact O-N 3.09Å; E612-N614 PolarHBondContact O-N 2.8Å |
| 613 | E | 90.2 | Very high | 92.3 | Very high | 32 Ų | 32 | 60.8 Ų | 60.8 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 29.6 | -175.2 | -56.6 | -169 | 122.8 | 0 | 0 | 113.2 | K575 L608 K609 P611 C615 L616 L617 | K575-E613 WeakPolarHBondContact CD-OE1 3.48Å; K575-E613 WeakPolarHBondContact CE-OE1 3.49Å; K575-E613 IonicContact NZ-OE1 2.95Å; K575-E613 PolarHBondContact NZ-OE1 3.41Å; K575-E613 IonicContact NZ-OE2 3.97Å; K575-E613 PolarHBondContact NZ-OE2 3.43Å; L608-E613 WeakPolarHBondContact CA-OE2 3.09Å; L608-E613 HydrophobicContact CB-CB 4.46Å; L608-E613 HydrophobicContact CD2-CB 4.43Å; K609-E613 HydrophobicContact CB-CG 4.28Å; K609-E613 PolarHBondContact N-OE2 3.04Å; K609-E613 WeakPolarHBondContact O-CB 3.24Å; K609-E613 PolarHBondContact O-N 2.92Å; P611-E613 VanDerWaalsContact C-N 3.28Å; P611-E613 PolarHBondContact O-N 3.31Å; E613-C615 PolarHBondContact O-N 3.05Å; E613-L616 HydrophobicContact CB-CD1 4.4Å; E613-L616 PolarHBondContact O-N 3.45Å; E613-L616 VanDerWaalsContact O-N 3.16Å; E613-L617 PolarHBondContact O-N 3.01Å |
| 614 | N | 90.4 | Very high | 92.2 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -23.5 | -179.1 | -161.7 | 41 | 0 | 0 | 0 | 113.3 | P611 E612 L617 G618 | P611-N614 WeakPolarHBondContact O-CB 3.38Å; P611-N614 PolarHBondContact O-N 3.33Å; E612-N614 PolarHBondContact O-N 2.8Å; N614-L617 PolarHBondContact O-N 3.27Å; N614-G618 PolarHBondContact O-N 2.87Å |
| 615 | C | 92.5 | Very high | 92.1 | Very high | 90 Ų | 90 | 65 Ų | 65 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 172.4 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | E613 L617 G618 E619 | E613-C615 PolarHBondContact O-N 3.05Å; C615-L617 VanDerWaalsContact C-N 3.33Å; C615-L617 PolarHBondContact O-N 2.58Å; C615-G618 PolarHBondContact O-N 3.14Å; C615-E619 PolarHBondContact O-N 2.95Å |
| 616 | L | 93.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 64.7 Ų | 64.7 | 15% | 0.147 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 176.7 | -64.5 | 179.6 | 0 | 0 | 0 | 111.1 | K575 L579 L608 E613 G618 E619 M620 | K575-L616 HydrophobicContact CB-CD1 4.14Å; K575-L616 HydrophobicContact CD-CD1 3.95Å; K575-L616 HydrophobicContact CG-CD1 4.13Å; L579-L616 HydrophobicContact CD2-CD1 4.47Å; L579-L616 HydrophobicContact CD2-CD2 4.37Å; L608-L616 HydrophobicContact CD1-CB 4.28Å; L608-L616 HydrophobicContact CD2-CB 4Å; L608-L616 HydrophobicContact CD2-CD1 3.91Å; E613-L616 HydrophobicContact CB-CD1 4.4Å; E613-L616 PolarHBondContact O-N 3.45Å; E613-L616 VanDerWaalsContact O-N 3.16Å; L616-G618 VanDerWaalsContact C-N 3.33Å; L616-G618 PolarHBondContact O-N 3.05Å; L616-E619 PolarHBondContact O-N 3.26Å; L616-M620 VanDerWaalsContact O-CG 3.28Å; L616-M620 WeakPolarHBondContact O-CG 3.3Å; L616-M620 PolarHBondContact O-N 3.14Å |
| 617 | L | 92.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 172.9 | -178.7 | 61.5 | 0 | 0 | 0 | 111.2 | K605 L608 L610 E613 N614 C615 E619 M620 E621 F647 | K605-L617 HydrophobicContact CD-CD1 4.18Å; K605-L617 HydrophobicContact CG-CD1 4.18Å; L608-L617 HydrophobicContact CD1-CB 4.03Å; L608-L617 HydrophobicContact CD1-CD1 4.49Å; L610-L617 HydrophobicContact CD1-CD2 4.13Å; L610-L617 HydrophobicContact CD2-CB 4.31Å; L610-L617 HydrophobicContact CD2-CD2 3.99Å; E613-L617 PolarHBondContact O-N 3.01Å; N614-L617 PolarHBondContact O-N 3.27Å; C615-L617 VanDerWaalsContact C-N 3.33Å; C615-L617 PolarHBondContact O-N 2.58Å; L617-E619 PolarHBondContact O-N 3.11Å; L617-M620 WeakPolarHBondContact O-CB 3.43Å; L617-M620 PolarHBondContact O-N 3.15Å; L617-E621 WeakPolarHBondContact O-CG 3.43Å; L617-E621 PolarHBondContact O-N 3.03Å; L617-F647 HydrophobicContact CD1-CD1 4.1Å; L617-F647 HydrophobicContact CD1-CE1 3.98Å |
| 618 | G | 93.5 | Very high | 92 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | N614 C615 L616 M620 E621 I622 | N614-G618 PolarHBondContact O-N 2.87Å; C615-G618 PolarHBondContact O-N 3.14Å; L616-G618 VanDerWaalsContact C-N 3.33Å; L616-G618 PolarHBondContact O-N 3.05Å; G618-M620 VanDerWaalsContact C-N 3.35Å; G618-M620 PolarHBondContact O-N 2.86Å; G618-E621 PolarHBondContact O-N 2.95Å; G618-I622 VanDerWaalsContact O-CG1 3.26Å; G618-I622 WeakPolarHBondContact O-CG1 3.35Å; G618-I622 PolarHBondContact O-N 2.9Å |
| 619 | E | 94.2 | Very high | 92 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174 | -70.5 | -179.1 | -162.6 | 0 | 0 | 111.9 | L583 C615 L616 L617 E621 I622 S623 | L583-E619 HydrophobicContact CD1-CB 3.87Å; C615-E619 PolarHBondContact O-N 2.95Å; L616-E619 PolarHBondContact O-N 3.26Å; L617-E619 PolarHBondContact O-N 3.11Å; E619-E621 PolarHBondContact O-N 2.91Å; E619-I622 PolarHBondContact O-N 3.03Å; E619-S623 WeakPolarHBondContact O-CB 3.29Å; E619-S623 PolarHBondContact O-N 3.43Å; E619-S623 PolarHBondContact O-OG 3Å |
| 620 | M | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.7 | -69.1 | 179.5 | 68.9 | 0 | 0 | 112.4 | L583 L601 F604 K605 L608 L616 L617 G618 S623 L624 F647 | L583-M620 HydrophobicContact CD1-CG 4.05Å; L583-M620 HydrophobicContact CD2-CG 4.04Å; L601-M620 HydrophobicContact CB-CE 4.42Å; L601-M620 HydrophobicContact CD2-CB 4.48Å; L601-M620 HydrophobicContact CD2-CE 3.66Å; L601-M620 HydrophobicContact CD2-CG 4.49Å; L601-M620 WeakPolarHBondContact O-CE 3.34Å; F604-M620 HydrophobicContact CB-CE 3.44Å; F604-M620 VanDerWaalsContact CB-CE 3.44Å; F604-M620 HydrophobicContact CB-SD 4.26Å; K605-M620 HydrophobicContact CB-CE 4.05Å; L608-M620 HydrophobicContact CD1-SD 3.82Å; L616-M620 VanDerWaalsContact O-CG 3.28Å; L616-M620 WeakPolarHBondContact O-CG 3.3Å; L616-M620 PolarHBondContact O-N 3.14Å; L617-M620 WeakPolarHBondContact O-CB 3.43Å; L617-M620 PolarHBondContact O-N 3.15Å; G618-M620 VanDerWaalsContact C-N 3.35Å; G618-M620 PolarHBondContact O-N 2.86Å; M620-S623 PolarHBondContact O-N 3Å; M620-L624 VanDerWaalsContact O-CB 3.3Å; M620-L624 WeakPolarHBondContact O-CB 3.42Å; M620-L624 PolarHBondContact O-N 2.99Å; M620-F647 HydrophobicContact CB-CE1 4.01Å; M620-F647 HydrophobicContact CE-CE1 3.96Å; M620-F647 HydrophobicContact CE-CZ 3.73Å |
| 621 | E | 94.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 70 Ų | 70 | 23% | 0.234 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.3 | -75.5 | -179.8 | -177.1 | 0 | 0 | 112.1 | L617 G618 E619 L624 K625 F647 F648 | L617-E621 WeakPolarHBondContact O-CG 3.43Å; L617-E621 PolarHBondContact O-N 3.03Å; G618-E621 PolarHBondContact O-N 2.95Å; E619-E621 PolarHBondContact O-N 2.91Å; E621-L624 PolarHBondContact O-N 2.77Å; E621-K625 WeakPolarHBondContact O-CB 3.41Å; E621-K625 WeakPolarHBondContact O-CG 3.43Å; E621-K625 PolarHBondContact O-N 3.33Å; E621-F647 HydrophobicContact CG-CD1 3.97Å; E621-F648 HydrophobicContact CB-CE1 4Å; E621-F648 HydrophobicContact CB-CZ 3.8Å; E621-F648 HydrophobicContact CG-CE1 3.69Å; E621-F648 HydrophobicContact CG-CZ 3.75Å |
| 622 | I | 94.8 | Very high | 92 | Very high | 119 Ų | 119 | 70.5 Ų | 70.5 | 61% | 0.61 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.6 | -49.6 | 174.6 | -68.9 | 164.4 | 0 | 0 | 0 | 109.6 | G618 E619 L624 K625 S626 | G618-I622 VanDerWaalsContact O-CG1 3.26Å; G618-I622 WeakPolarHBondContact O-CG1 3.35Å; G618-I622 PolarHBondContact O-N 2.9Å; E619-I622 PolarHBondContact O-N 3.03Å; I622-L624 PolarHBondContact O-N 3.04Å; I622-K625 PolarHBondContact O-N 3.06Å; I622-S626 WeakPolarHBondContact O-CB 3.38Å; I622-S626 PolarHBondContact O-N 3.18Å |
| 623 | S | 94.5 | Very high | 92.2 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 176.6 | -80 | 0 | 0 | 0 | 0 | 111.8 | L583 E619 M620 K625 S626 I627 | L583-S623 WeakPolarHBondContact CB-OG 3.45Å; L583-S623 PolarHBondContact O-OG 3.39Å; E619-S623 WeakPolarHBondContact O-CB 3.29Å; E619-S623 PolarHBondContact O-N 3.43Å; E619-S623 PolarHBondContact O-OG 3Å; M620-S623 PolarHBondContact O-N 3Å; S623-K625 PolarHBondContact O-N 3.01Å; S623-S626 WeakPolarHBondContact O-CB 3.39Å; S623-S626 PolarHBondContact O-N 3.15Å; S623-S626 VanDerWaalsContact O-N 3.14Å; S623-S626 PolarHBondContact O-OG 3.46Å; S623-I627 WeakPolarHBondContact O-CG1 3.36Å; S623-I627 PolarHBondContact O-N 2.96Å |
| 624 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 178.7 | 179.5 | 59.4 | 0 | 0 | 0 | 112.3 | L601 M620 E621 I622 S626 I627 H640 V643 F647 F648 | L601-L624 HydrophobicContact CD1-CB 4.03Å; L601-L624 HydrophobicContact CD1-CD1 3.78Å; L601-L624 HydrophobicContact CD1-CG 4.41Å; M620-L624 VanDerWaalsContact O-CB 3.3Å; M620-L624 WeakPolarHBondContact O-CB 3.42Å; M620-L624 PolarHBondContact O-N 2.99Å; E621-L624 PolarHBondContact O-N 2.77Å; I622-L624 PolarHBondContact O-N 3.04Å; L624-S626 PolarHBondContact O-N 2.67Å; L624-I627 PolarHBondContact O-N 2.8Å; L624-H640 PolarHBondContact O-NE2 3.23Å; L624-V643 HydrophobicContact CD1-CB 4.39Å; L624-V643 HydrophobicContact CD1-CG1 3.83Å; L624-V643 HydrophobicContact CD2-CG1 3.97Å; L624-F647 HydrophobicContact CD2-CB 3.77Å; L624-F647 HydrophobicContact CD2-CD1 4.25Å; L624-F647 HydrophobicContact CD2-CD2 3.72Å; L624-F647 HydrophobicContact CD2-CE2 4.36Å; L624-F647 HydrophobicContact CD2-CG 3.64Å; L624-F648 HydrophobicContact CD2-CE2 4.24Å |
| 625 | K | 93.6 | Very high | 92.1 | Very high | 136 Ų | 136 | 66 Ų | 66 | 59% | 0.591 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -32.2 | 175.6 | -74.9 | 174.9 | -176.9 | 168 | 0 | 112.2 | E621 I622 S623 I627 F648 | E621-K625 WeakPolarHBondContact O-CB 3.41Å; E621-K625 WeakPolarHBondContact O-CG 3.43Å; E621-K625 PolarHBondContact O-N 3.33Å; I622-K625 PolarHBondContact O-N 3.06Å; S623-K625 PolarHBondContact O-N 3.01Å; K625-I627 VanDerWaalsContact C-N 3.32Å; K625-F648 HydrophobicContact CD-CZ 4.23Å; K625-F648 HydrophobicContact CG-CE2 4.29Å; K625-F648 HydrophobicContact CG-CZ 4.1Å |
| 626 | S | 94.2 | Very high | 92 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -75.3 | -19.8 | -178.1 | 85.2 | 0 | 0 | 0 | 0 | 113.2 | Q587 I622 S623 L624 A628 | Q587-S626 VanDerWaalsContact NE2-C 3.25Å; Q587-S626 PolarHBondContact NE2-O 2.91Å; Q587-S626 PolarHBondContact NE2-OG 2.95Å; I622-S626 WeakPolarHBondContact O-CB 3.38Å; I622-S626 PolarHBondContact O-N 3.18Å; S623-S626 WeakPolarHBondContact O-CB 3.39Å; S623-S626 PolarHBondContact O-N 3.15Å; S623-S626 VanDerWaalsContact O-N 3.14Å; S623-S626 PolarHBondContact O-OG 3.46Å; L624-S626 PolarHBondContact O-N 2.67Å; S626-A628 PolarHBondContact O-N 3.4Å |
| 627 | I | 93.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | trans | -67.3 | 119.3 | -180 | -66.8 | 171.5 | 0 | 0 | 0 | 110.3 | A586 R594 L597 C598 L601 S623 L624 K625 F629 | A586-I627 HydrophobicContact CB-CD1 4.25Å; A586-I627 HydrophobicContact CB-CG1 3.68Å; R594-I627 HydrophobicContact CB-CG2 4.09Å; L597-I627 HydrophobicContact CD2-CD1 4.27Å; C598-I627 WeakPolarHBondContact SG-CD1 3.32Å; L601-I627 HydrophobicContact CD1-CD1 4.22Å; S623-I627 WeakPolarHBondContact O-CG1 3.36Å; S623-I627 PolarHBondContact O-N 2.96Å; L624-I627 PolarHBondContact O-N 2.8Å; K625-I627 VanDerWaalsContact C-N 3.32Å; I627-F629 HydrophobicContact CG2-CD2 4.17Å; I627-F629 HydrophobicContact CG2-CE1 4.47Å; I627-F629 HydrophobicContact CG2-CE2 3.43Å; I627-F629 VanDerWaalsContact CG2-CE2 3.43Å; I627-F629 HydrophobicContact CG2-CZ 3.61Å | ||
| 628 | A | 91.4 | Very high | 91.8 | Very high | 63 Ų | 63 | 68.2 Ų | 68.2 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | trans | -116.5 | 135.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R594 S626 | R594-A628 VanDerWaalsContact CZ-O 3.26Å; R594-A628 PolarHBondContact NE-O 3.39Å; R594-A628 PolarHBondContact NH2-O 3.49Å; S626-A628 PolarHBondContact O-N 3.4Å | ||
| 629 | F | 92.6 | Very high | 91.8 | Very high | 31 Ų | 31 | 68.8 Ų | 68.8 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | trans | -115.1 | 149.2 | 170.5 | -63.3 | -70.8 | 0 | 0 | 0 | 110.5 | K591 R594 I627 A633 C636 I637 H640 | K591-F629 HydrophobicContact CB-CD1 4.49Å; R594-F629 HydrophobicContact CB-CE1 3.93Å; R594-F629 HydrophobicContact CB-CZ 4.06Å; I627-F629 HydrophobicContact CG2-CD2 4.17Å; I627-F629 HydrophobicContact CG2-CE1 4.47Å; I627-F629 HydrophobicContact CG2-CE2 3.43Å; I627-F629 VanDerWaalsContact CG2-CE2 3.43Å; I627-F629 HydrophobicContact CG2-CZ 3.61Å; F629-A633 HydrophobicContact CB-CB 4.42Å; F629-C636 HydrophobicContact CB-CB 4.26Å; F629-C636 HydrophobicContact CD1-CB 3.62Å; F629-C636 HydrophobicContact CD2-CB 3.92Å; F629-C636 HydrophobicContact CE1-CB 3.88Å; F629-C636 HydrophobicContact CE2-CB 4.16Å; F629-C636 HydrophobicContact CG-CB 3.64Å; F629-C636 HydrophobicContact CZ-CB 4.15Å; F629-I637 HydrophobicContact CB-CG1 3.98Å; F629-H640 HydrophobicContact CD2-CB 4.17Å; F629-H640 HydrophobicContact CE2-CB 3.92Å | ||
| 630 | K | 88.4 | Confident | 91.8 | Very high | 161 Ų | 161 | 66 Ų | 66 | 70% | 0.7 | 34% | 0.34 | S | S | * | . | trans | -68.5 | 150.9 | 171.8 | -65.9 | -175.2 | 178.5 | -176 | 0 | 109.5 | D632 A633 | K630-D632 WeakPolarHBondContact CB-OD1 3.34Å; K630-D632 PolarHBondContact O-N 2.89Å; K630-D632 VanDerWaalsContact O-N 3.1Å; K630-A633 WeakPolarHBondContact O-CB 3.3Å; K630-A633 PolarHBondContact O-N 2.9Å | ||
| 631 | K | 85.3 | Confident | 91.7 | Very high | 198 Ų | 198 | 71.8 Ų | 71.8 | 86% | 0.861 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.6 | -173.3 | -65.4 | -176 | 178.8 | -179 | 0 | 114.5 | ||
| 632 | D | 87.6 | Confident | 91.6 | Very high | 125 Ų | 125 | 76.4 Ų | 76.4 | 67% | 0.668 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.8 | 177.9 | 59.8 | -34.6 | 0 | 0 | 0 | 113.6 | K630 I634 | K630-D632 WeakPolarHBondContact CB-OD1 3.34Å; K630-D632 PolarHBondContact O-N 2.89Å; K630-D632 VanDerWaalsContact O-N 3.1Å; D632-I634 VanDerWaalsContact C-N 3.28Å; D632-I634 PolarHBondContact O-N 3.06Å |
| 633 | A | 88.9 | Confident | 91.5 | Very high | 12 Ų | 12 | 71 Ų | 71 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | trans | -86.4 | 60.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F629 K630 S635 C636 I637 | F629-A633 HydrophobicContact CB-CB 4.42Å; K630-A633 WeakPolarHBondContact O-CB 3.3Å; K630-A633 PolarHBondContact O-N 2.9Å; A633-S635 PolarHBondContact O-N 3.04Å; A633-C636 HydrophobicContact CB-CB 4Å; A633-C636 WeakPolarHBondContact O-CB 3.25Å; A633-C636 PolarHBondContact O-N 2.87Å; A633-I637 WeakPolarHBondContact O-CG1 3.27Å; A633-I637 PolarHBondContact O-N 2.87Å; A633-I637 VanDerWaalsContact O-N 3.1Å | ||
| 634 | I | 89.1 | Confident | 91.4 | Very high | 106 Ų | 106 | 71.5 Ų | 71.5 | 54% | 0.544 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -50.5 | -50.8 | -172.7 | -60.4 | 171.6 | 0 | 0 | 0 | 112.1 | D632 C636 I637 E638 | D632-I634 VanDerWaalsContact C-N 3.28Å; D632-I634 PolarHBondContact O-N 3.06Å; I634-C636 VanDerWaalsContact C-N 3.28Å; I634-C636 PolarHBondContact O-N 3.49Å; I634-I637 PolarHBondContact O-N 3.2Å; I634-I637 VanDerWaalsContact O-N 3.12Å; I634-E638 HydrophobicContact CG2-CG 4.34Å; I634-E638 WeakPolarHBondContact O-CG 3.26Å; I634-E638 PolarHBondContact O-N 3.3Å |
| 635 | S | 89.6 | Confident | 91.3 | Very high | 75 Ų | 75 | 75 Ų | 75 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.6 | -32.5 | -179.3 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | A633 L639 | A633-S635 PolarHBondContact O-N 3.04Å; S635-L639 PolarHBondContact O-N 3.46Å; S635-L639 VanDerWaalsContact O-N 3.12Å |
| 636 | C | 91.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 73.2 Ų | 73.2 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71 | -39 | 176.7 | -59.4 | 0 | 0 | 0 | 0 | 111 | Y595 F629 A633 I634 H640 | Y595-C636 HydrophobicContact CD2-CB 3.95Å; Y595-C636 VanDerWaalsContact CD2-SG 3.55Å; F629-C636 HydrophobicContact CB-CB 4.26Å; F629-C636 HydrophobicContact CD1-CB 3.62Å; F629-C636 HydrophobicContact CD2-CB 3.92Å; F629-C636 HydrophobicContact CE1-CB 3.88Å; F629-C636 HydrophobicContact CE2-CB 4.16Å; F629-C636 HydrophobicContact CG-CB 3.64Å; F629-C636 HydrophobicContact CZ-CB 4.15Å; A633-C636 HydrophobicContact CB-CB 4Å; A633-C636 WeakPolarHBondContact O-CB 3.25Å; A633-C636 PolarHBondContact O-N 2.87Å; I634-C636 VanDerWaalsContact C-N 3.28Å; I634-C636 PolarHBondContact O-N 3.49Å; C636-H640 VanDerWaalsContact O-CB 3.29Å; C636-H640 WeakPolarHBondContact O-CB 3.36Å; C636-H640 PolarHBondContact O-N 2.77Å |
| 637 | I | 90.2 | Very high | 91 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 177.2 | -63.6 | 167 | 0 | 0 | 0 | 110.2 | F629 A633 I634 L639 H640 Q641 | F629-I637 HydrophobicContact CB-CG1 3.98Å; A633-I637 WeakPolarHBondContact O-CG1 3.27Å; A633-I637 PolarHBondContact O-N 2.87Å; A633-I637 VanDerWaalsContact O-N 3.1Å; I634-I637 PolarHBondContact O-N 3.2Å; I634-I637 VanDerWaalsContact O-N 3.12Å; I637-L639 PolarHBondContact O-N 2.93Å; I637-H640 PolarHBondContact O-N 3.01Å; I637-Q641 HydrophobicContact CG2-CG 4.39Å; I637-Q641 WeakPolarHBondContact O-CB 3.28Å; I637-Q641 WeakPolarHBondContact O-CG 3.41Å; I637-Q641 PolarHBondContact O-N 3.17Å |
| 638 | E | 92.3 | Very high | 90.8 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 177.3 | -72.6 | 174.8 | 172.9 | 0 | 0 | 111.9 | I634 Q641 K642 | I634-E638 HydrophobicContact CG2-CG 4.34Å; I634-E638 WeakPolarHBondContact O-CG 3.26Å; I634-E638 PolarHBondContact O-N 3.3Å; E638-Q641 PolarHBondContact O-N 3.43Å; E638-K642 WeakPolarHBondContact O-CB 3.26Å; E638-K642 PolarHBondContact O-N 2.83Å |
| 639 | L | 92.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.3 | 177.6 | 70 | 0 | 0 | 0 | 111.1 | Y595 C598 V599 S635 I637 Q641 K642 V643 | Y595-L639 HydrophobicContact CD2-CD2 3.79Å; Y595-L639 HydrophobicContact CE1-CD2 4.19Å; Y595-L639 HydrophobicContact CE2-CB 4.09Å; Y595-L639 HydrophobicContact CE2-CD2 3.3Å; Y595-L639 HydrophobicContact CE2-CG 4.31Å; Y595-L639 HydrophobicContact CG-CD2 4.43Å; C598-L639 HydrophobicContact CB-CD2 4.24Å; V599-L639 HydrophobicContact CG2-CD2 3.46Å; V599-L639 VanDerWaalsContact CG2-CD2 3.46Å; S635-L639 PolarHBondContact O-N 3.46Å; S635-L639 VanDerWaalsContact O-N 3.12Å; I637-L639 PolarHBondContact O-N 2.93Å; L639-Q641 VanDerWaalsContact C-N 3.32Å; L639-Q641 PolarHBondContact O-N 3.07Å; L639-K642 WeakPolarHBondContact O-CB 3.41Å; L639-K642 PolarHBondContact O-N 3.29Å; L639-K642 VanDerWaalsContact O-N 3.16Å; L639-V643 HydrophobicContact CD1-CG2 4.24Å; L639-V643 HydrophobicContact CG-CG2 4.38Å; L639-V643 WeakPolarHBondContact O-CG2 3.45Å; L639-V643 PolarHBondContact O-N 3.48Å |
| 640 | H | 93.6 | Very high | 89.2 | Confident | 32 Ų | 32 | 80.2 Ų | 80.2 | 15% | 0.148 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | -179.8 | 178.3 | -108.2 | 0 | 0 | 0 | 111.9 | L624 F629 C636 I637 K642 V643 C644 | L624-H640 PolarHBondContact O-NE2 3.23Å; F629-H640 HydrophobicContact CD2-CB 4.17Å; F629-H640 HydrophobicContact CE2-CB 3.92Å; C636-H640 VanDerWaalsContact O-CB 3.29Å; C636-H640 WeakPolarHBondContact O-CB 3.36Å; C636-H640 PolarHBondContact O-N 2.77Å; I637-H640 PolarHBondContact O-N 3.01Å; H640-K642 PolarHBondContact O-N 2.86Å; H640-V643 PolarHBondContact O-N 3.26Å; H640-C644 VanDerWaalsContact CE1-SG 3.6Å; H640-C644 WeakPolarHBondContact O-CB 3.5Å; H640-C644 PolarHBondContact O-N 3.29Å; H640-C644 PolarHBondContact O-SG 2.95Å |
| 641 | Q | 92.7 | Very high | 87.8 | Confident | 122 Ų | 122 | 77.6 Ų | 77.6 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.3 | -41.8 | 174.6 | -73.6 | 175.2 | -7.1 | 0 | 0 | 112.1 | I637 E638 L639 C644 S645 | I637-Q641 HydrophobicContact CG2-CG 4.39Å; I637-Q641 WeakPolarHBondContact O-CB 3.28Å; I637-Q641 WeakPolarHBondContact O-CG 3.41Å; I637-Q641 PolarHBondContact O-N 3.17Å; E638-Q641 PolarHBondContact O-N 3.43Å; L639-Q641 VanDerWaalsContact C-N 3.32Å; L639-Q641 PolarHBondContact O-N 3.07Å; Q641-C644 PolarHBondContact O-N 2.72Å; Q641-S645 PolarHBondContact O-N 3.1Å |
| 642 | K | 93.4 | Very high | 85.8 | Confident | 146 Ų | 146 | 78.4 Ų | 78.4 | 64% | 0.635 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 175.4 | -177.7 | -174.5 | 176 | -174.2 | 0 | 112.1 | E638 L639 H640 S645 E646 | E638-K642 WeakPolarHBondContact O-CB 3.26Å; E638-K642 PolarHBondContact O-N 2.83Å; L639-K642 WeakPolarHBondContact O-CB 3.41Å; L639-K642 PolarHBondContact O-N 3.29Å; L639-K642 VanDerWaalsContact O-N 3.16Å; H640-K642 PolarHBondContact O-N 2.86Å; K642-S645 PolarHBondContact O-N 3.34Å; K642-S645 PolarHBondContact O-OG 3.45Å; K642-E646 PolarHBondContact O-N 3.03Å |
| 643 | V | 93.2 | Very high | 83.6 | Confident | 5 Ų | 5 | 80.5 Ų | 80.5 | 3% | 0.03 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | L601 P602 L624 L639 H640 S645 E646 F647 | L601-V643 HydrophobicContact CB-CG1 4.48Å; P602-V643 HydrophobicContact CG-CG1 4.06Å; P602-V643 HydrophobicContact CG-CG2 4.25Å; L624-V643 HydrophobicContact CD1-CB 4.39Å; L624-V643 HydrophobicContact CD1-CG1 3.83Å; L624-V643 HydrophobicContact CD2-CG1 3.97Å; L639-V643 HydrophobicContact CD1-CG2 4.24Å; L639-V643 HydrophobicContact CG-CG2 4.38Å; L639-V643 WeakPolarHBondContact O-CG2 3.45Å; L639-V643 PolarHBondContact O-N 3.48Å; H640-V643 PolarHBondContact O-N 3.26Å; V643-S645 VanDerWaalsContact C-N 3.33Å; V643-S645 PolarHBondContact O-N 3.14Å; V643-E646 WeakPolarHBondContact O-CB 3.36Å; V643-E646 PolarHBondContact O-N 3.37Å; V643-F647 HydrophobicContact CG1-CD2 4.02Å; V643-F647 HydrophobicContact CG1-CE2 4Å; V643-F647 WeakPolarHBondContact O-CD2 3.47Å; V643-F647 PolarHBondContact O-N 2.77Å; V643-F647 VanDerWaalsContact O-N 3.12Å |
| 644 | C | 92.5 | Very high | 81 | Confident | 27 Ų | 27 | 84.8 Ų | 84.8 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 173.4 | -71.4 | 0 | 0 | 0 | 0 | 112.2 | H640 Q641 E646 F647 F648 | H640-C644 VanDerWaalsContact CE1-SG 3.6Å; H640-C644 WeakPolarHBondContact O-CB 3.5Å; H640-C644 PolarHBondContact O-N 3.29Å; H640-C644 PolarHBondContact O-SG 2.95Å; Q641-C644 PolarHBondContact O-N 2.72Å; C644-E646 PolarHBondContact O-N 2.9Å; C644-F647 PolarHBondContact O-N 3.4Å; C644-F648 HydrophobicContact CB-CD2 4.32Å; C644-F648 WeakPolarHBondContact O-CD2 3.33Å; C644-F648 PolarHBondContact O-N 3.37Å |
| 645 | S | 91.7 | Very high | 78.2 | Confident | 73 Ų | 73 | 89.4 Ų | 89.4 | 51% | 0.51 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -24.3 | 178.9 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | Q641 K642 V643 | Q641-S645 PolarHBondContact O-N 3.1Å; K642-S645 PolarHBondContact O-N 3.34Å; K642-S645 PolarHBondContact O-OG 3.45Å; V643-S645 VanDerWaalsContact C-N 3.33Å; V643-S645 PolarHBondContact O-N 3.14Å |
| 646 | E | 89.5 | Confident | 75.4 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.6 | -30.8 | 173.5 | -173.6 | 177 | -179.5 | 0 | 0 | 112.8 | K605 K642 V643 C644 | K605-E646 PolarHBondContact NZ-O 3.25Å; K642-E646 PolarHBondContact O-N 3.03Å; V643-E646 WeakPolarHBondContact O-CB 3.36Å; V643-E646 PolarHBondContact O-N 3.37Å; C644-E646 PolarHBondContact O-N 2.9Å |
| 647 | F | 91.4 | Very high | 72.4 | Confident | 6 Ų | 6 | 103.3 Ų | 103.3 | 3% | 0.026 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -81.8 | -38.4 | 175 | -84.7 | -106.2 | 0 | 0 | 0 | 112.6 | L601 K605 L617 M620 E621 L624 V643 C644 P649 | L601-F647 HydrophobicContact CB-CE2 4.21Å; L601-F647 HydrophobicContact CB-CZ 4.09Å; K605-F647 HydrophobicContact CB-CE1 4.13Å; K605-F647 HydrophobicContact CB-CE2 4.38Å; K605-F647 HydrophobicContact CB-CZ 3.67Å; K605-F647 HydrophobicContact CD-CD1 4.07Å; K605-F647 HydrophobicContact CD-CD2 4.27Å; K605-F647 HydrophobicContact CD-CE1 3.76Å; K605-F647 HydrophobicContact CD-CE2 3.98Å; K605-F647 HydrophobicContact CD-CG 4.34Å; K605-F647 HydrophobicContact CD-CZ 3.71Å; K605-F647 HydrophobicContact CG-CE1 4.32Å; K605-F647 HydrophobicContact CG-CZ 4.23Å; L617-F647 HydrophobicContact CD1-CD1 4.1Å; L617-F647 HydrophobicContact CD1-CE1 3.98Å; M620-F647 HydrophobicContact CB-CE1 4.01Å; M620-F647 HydrophobicContact CE-CE1 3.96Å; M620-F647 HydrophobicContact CE-CZ 3.73Å; E621-F647 HydrophobicContact CG-CD1 3.97Å; L624-F647 HydrophobicContact CD2-CB 3.77Å; L624-F647 HydrophobicContact CD2-CD1 4.25Å; L624-F647 HydrophobicContact CD2-CD2 3.72Å; L624-F647 HydrophobicContact CD2-CE2 4.36Å; L624-F647 HydrophobicContact CD2-CG 3.64Å; V643-F647 HydrophobicContact CG1-CD2 4.02Å; V643-F647 HydrophobicContact CG1-CE2 4Å; V643-F647 WeakPolarHBondContact O-CD2 3.47Å; V643-F647 PolarHBondContact O-N 2.77Å; V643-F647 VanDerWaalsContact O-N 3.12Å; C644-F647 PolarHBondContact O-N 3.4Å; F647-P649 VanDerWaalsContact C-CD 3.4Å; F647-P649 WeakPolarHBondContact O-CD 3.46Å |
| 648 | F | 89.7 | Confident | 69.8 | Low | 70 Ų | 70 | 107.2 Ų | 107.2 | 31% | 0.307 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -114.2 | 72.4 | -178.2 | -49.9 | -70.2 | 0 | 0 | 0 | 110.4 | E621 L624 K625 C644 | E621-F648 HydrophobicContact CB-CE1 4Å; E621-F648 HydrophobicContact CB-CZ 3.8Å; E621-F648 HydrophobicContact CG-CE1 3.69Å; E621-F648 HydrophobicContact CG-CZ 3.75Å; L624-F648 HydrophobicContact CD2-CE2 4.24Å; K625-F648 HydrophobicContact CD-CZ 4.23Å; K625-F648 HydrophobicContact CG-CE2 4.29Å; K625-F648 HydrophobicContact CG-CZ 4.1Å; C644-F648 HydrophobicContact CB-CD2 4.32Å; C644-F648 WeakPolarHBondContact O-CD2 3.33Å; C644-F648 PolarHBondContact O-N 3.37Å |
| 649 | P | 79.8 | Confident | 67 | Low | 92 Ų | 92 | 107.9 Ų | 107.9 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.3 | 174.2 | 26.5 | -32.8 | 0 | 0 | 0 | 108.9 | F647 S651 | F647-P649 VanDerWaalsContact C-CD 3.4Å; F647-P649 WeakPolarHBondContact O-CD 3.46Å; P649-S651 PolarHBondContact O-N 3.14Å |
| 650 | P | 71 | Confident | 63.9 | Low | 119 Ų | 119 | 114.6 Ų | 114.6 | 77% | 0.773 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 127.7 | 177.5 | 22.7 | -31.4 | 0 | 0 | 0 | 109.7 | K652 | P650-K652 PolarHBondContact O-N 2.93Å; P650-K652 VanDerWaalsContact O-N 3.1Å |
| 651 | S | 57.6 | Low | 60.5 | Low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -50 | 116.4 | 176.2 | -43 | 0 | 0 | 0 | 0 | 109.2 | P649 E653 | P649-S651 PolarHBondContact O-N 3.14Å; S651-E653 PolarHBondContact O-N 3.28Å |
| 652 | K | 43.3 | Very low | 57.3 | Low | 216 Ų | 216 | 122.7 Ų | 122.7 | 94% | 0.939 | 64% | 0.636 | S | S | * | * | trans | -72.7 | 66.8 | 168 | -73.3 | -174.4 | 178.9 | 178.3 | 0 | 109 | P650 T654 | P650-K652 PolarHBondContact O-N 2.93Å; P650-K652 VanDerWaalsContact O-N 3.1Å; K652-T654 PolarHBondContact O-N 3.33Å | ||
| 653 | E | 41.5 | Very low | 54.5 | Low | 169 Ų | 169 | 121.4 Ų | 121.4 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | trans | -79.7 | 98.8 | 166.3 | -83 | -174.4 | 169.2 | 0 | 0 | 109.4 | S651 | S651-E653 PolarHBondContact O-N 3.28Š| ||
| 654 | T | 35 | Very low | 51.4 | Low | 102 Ų | 102 | 130.9 Ų | 130.9 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | trans | 55.9 | 93.3 | 139.2 | 4.4 | 0 | 0 | 0 | 0 | 117.1 | K652 K656 | K652-T654 PolarHBondContact O-N 3.33Å; T654-K656 VanDerWaalsContact C-N 3.25Å; T654-K656 HydrophobicContact CG2-CG 4.27Å; T654-K656 PolarHBondContact O-N 3.3Å | ||
| 655 | Q | 29.9 | Very low | 48.1 | Very low | 202 Ų | 202 | 138.4 Ų | 138.4 | 94% | 0.944 | 72% | 0.719 | S | S | * | * | trans | -51.1 | 92.8 | 139.8 | -67.2 | -179.4 | -4.5 | 0 | 0 | 109.4 | ||||
| 656 | K | 31.8 | Very low | 44.8 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 118.9 | 156.4 | -87 | -174.6 | 177 | 178 | 0 | 108.1 | T654 | T654-K656 VanDerWaalsContact C-N 3.25Å; T654-K656 HydrophobicContact CG2-CG 4.27Å; T654-K656 PolarHBondContact O-N 3.3Å |
| 657 | K | 28.5 | Very low | 41.6 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 151.3 | -174.8 | -74.2 | 172.9 | 173 | 177.7 | 0 | 113.4 | ||
| 658 | P | 34.6 | Very low | 38.3 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 128.2 | -178.1 | 32 | -31.7 | 0 | 0 | 0 | 110.6 | ||
| 659 | V | 33.3 | Very low | 35.2 | Very low | 133 Ų | 133 | 153.8 Ų | 153.8 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -106.2 | 110.7 | 169.4 | 177 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 660 | E | 28.1 | Very low | 32.5 | Very low | 178 Ų | 178 | 157.2 Ų | 157.2 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | 36.6 | 113.9 | 145.5 | -95.1 | 171.5 | 151.4 | 0 | 0 | 120.4 | ||||
| 661 | K | 21.3 | Very low | 30.3 | Very low | 206 Ų | 206 | 157.9 Ų | 157.9 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 131 | 149.3 | -70 | 179 | 177.4 | 179.4 | 0 | 108.7 | ||
| 662 | P | 26.9 | Very low | 28.5 | Very low | 117 Ų | 117 | 157.8 Ų | 157.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95 | 158.2 | 152.1 | 32.1 | -23.1 | 0 | 0 | 0 | 111 | ||
| 663 | P | 33.4 | Very low | 27.8 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 140.1 | -163.4 | 36.1 | -28.8 | 0 | 0 | 0 | 112.3 | ||
| 664 | Q | 28.7 | Very low | 27 | Very low | 205 Ų | 205 | 159.2 Ų | 159.2 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -132.8 | 116.9 | 157.4 | -83.8 | -175.5 | -15.4 | 0 | 0 | 110.6 | ||||
| 665 | Q | 22.7 | Very low | 26.2 | Very low | 185 Ų | 185 | 162.4 Ų | 162.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -85.9 | 147.4 | 172.9 | -100.8 | 177.4 | -0.5 | 0 | 0 | 109.8 | ||||
| 666 | V | 22.4 | Very low | 25.9 | Very low | 111 Ų | 111 | 157.4 Ų | 157.4 | 67% | 0.673 | 82% | 0.815 | S | S | * | * | trans | 74 | 109.7 | 144.2 | 178.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 667 | Q | 23.3 | Very low | 25.6 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | 176.7 | 144.3 | 100.1 | -122.4 | 156.5 | 70.4 | 0 | 0 | 113.2 | |||||
| 668 | A | 21.2 | Very low | 25.2 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -79 | 142.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 669 | K | 25.2 | Very low | 24.7 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | 175.2 | 113.4 | 152.5 | -100.1 | 165 | -176.9 | -179.9 | 0 | 106.7 | ||||
| 670 | Q | 22.3 | Very low | 24.2 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | 106.3 | 138.4 | 68.2 | -119.2 | -173.8 | 16.7 | 0 | 0 | 111.1 | |||||
| 671 | I | 24.4 | Very low | 24 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | 97.3 | 93.2 | 150.1 | -58.2 | 155.6 | 0 | 0 | 0 | 118.4 | ||||
| 672 | S | 21.8 | Very low | 24 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 55.5 | 117.4 | 114.4 | -47.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 673 | K | 28.2 | Very low | 23.7 | Very low | 210 Ų | 210 | 143.9 Ų | 143.9 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -140.3 | 114.2 | 132.8 | -72.2 | -170.2 | 179.7 | 171.7 | 0 | 111.3 | ||||
| 674 | K | 23.2 | Very low | 23.2 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -0.5 | 129.1 | 154.3 | -65.3 | 170.4 | 172.8 | 179.9 | 0 | 116.6 | ||||
| 675 | I | 18.6 | Very low | 22.7 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | 50.6 | 99.5 | 56.2 | -51 | 178.8 | 0 | 0 | 0 | 115.8 | |||||
| 676 | A | 24.3 | Very low | 22.6 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 170.3 | 136.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 677 | S | 25 | Very low | 22.5 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | cis | -163.9 | 138.9 | 21.2 | 46.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 678 | V | 20.4 | Very low | 22.3 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -95.1 | 148.5 | 161.3 | 173.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 679 | P | 24.4 | Very low | 22.4 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | -134.2 | 149.9 | 119.8 | 35.6 | -25.1 | 0 | 0 | 0 | 112.8 | |||||
| 680 | P | 23.4 | Very low | 22.1 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | trans | -100.9 | 143.5 | 170.7 | 35.9 | -23.7 | 0 | 0 | 0 | 110.9 | ||||
| 681 | T | 23.4 | Very low | 22.1 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -145.1 | 105.5 | 159.6 | -41 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 682 | M | 21.7 | Very low | 22 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | 19.2 | 132.2 | 140.2 | -58 | -177.9 | 68 | 0 | 0 | 120.9 | ||||
| 683 | A | 19.2 | Very low | 22 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -56.3 | 156.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 684 | P | 23.6 | Very low | 21.9 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -144.1 | 162.6 | 105.1 | 33.6 | -16.6 | 0 | 0 | 0 | 115.8 | |||||
| 685 | K | 17.6 | Very low | 21.6 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -61 | 145.3 | 168.7 | -65.6 | 167.2 | 171.9 | 174 | 0 | 111.9 | ||||
| 686 | A | 20.9 | Very low | 22 | Very low | 89 Ų | 89 | 144.3 Ų | 144.3 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | 169.5 | 134.8 | 118.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 687 | K | 19.7 | Very low | 21.9 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | trans | 74.3 | 126.7 | 141.2 | -74.1 | 178.8 | 177 | 179.7 | 0 | 121.4 | ||||
| 688 | A | 19 | Very low | 21.7 | Very low | 107 Ų | 107 | 152 Ų | 152 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -62.4 | 148.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 689 | S | 24.1 | Very low | 21.9 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -145 | 133.4 | 150.4 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 690 | K | 19 | Very low | 21.7 | Very low | 204 Ų | 204 | 151.2 Ų | 151.2 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -82.7 | 146.1 | 168 | -72.3 | 171.4 | 168.4 | 179 | 0 | 108.7 | ||||
| 691 | E | 22.9 | Very low | 21.7 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -174.8 | 108.9 | 152.8 | -103.7 | 166.3 | -159.9 | 0 | 0 | 105 | ||||
| 692 | D | 22.1 | Very low | 21.9 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | 97.6 | 106.8 | 83.3 | -86.9 | -14.3 | 0 | 0 | 0 | 111.5 | |||||
| 693 | I | 22.1 | Very low | 21.8 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | 68.3 | 103.9 | 114.5 | -58.2 | 169 | 0 | 0 | 0 | 113.5 | |||||
| 694 | E | 24.5 | Very low | 21.9 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -138.4 | 123.6 | 143.1 | -151.1 | 174.4 | -172.2 | 0 | 0 | 110.1 | ||||
| 695 | R | 18.8 | Very low | 21.8 | Very low | 238 Ų | 238 | 153.8 Ų | 153.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -117.3 | 103.7 | -172.3 | -166 | -174.9 | -145 | -148.4 | 6.5 | 106.7 | ||||
| 696 | S | 26.7 | Very low | 21.9 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -106.8 | 138.8 | 174.8 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 697 | K | 22.4 | Very low | 22.1 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | trans | -81 | 155 | -155.2 | -69.2 | 162 | 172.5 | 172.9 | 0 | 115 | ||||
| 698 | L | 19.7 | Very low | 22.2 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -60.3 | 161.3 | 160.4 | -71.9 | 128.4 | 0 | 0 | 0 | 113.5 | ||||
| 699 | P | 24.1 | Very low | 22.4 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -105.2 | 154.6 | 140.4 | 35.3 | -25.4 | 0 | 0 | 0 | 112.3 | ||||
| 700 | P | 21.4 | Very low | 22.3 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -112.3 | 174.4 | 177.6 | 31 | -12.3 | 0 | 0 | 0 | 113.3 | ||||
| 701 | I | 23.2 | Very low | 22.5 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | 131.7 | 130.3 | 137.7 | -66 | 170.5 | 0 | 0 | 0 | 116.2 | ||||
| 702 | Q | 26.3 | Very low | 22.5 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | 93.4 | 88 | 152.4 | -84.2 | 154.7 | 18.5 | 0 | 0 | 122.6 | ||||
| 703 | S | 21 | Very low | 22.5 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | 1 | 130.3 | 128.8 | 54 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 704 | L | 20.9 | Very low | 22.6 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 65.2 | 142.6 | 131.7 | -76.5 | 149.1 | 0 | 0 | 0 | 119.9 | L706 | L704-L706 HydrophobicContact CD2-CB 4.19Š| ||
| 705 | P | 21.9 | Very low | 22.5 | Very low | 131 Ų | 131 | 150.9 Ų | 150.9 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | cis | -136.1 | 165.4 | 48.1 | 34.6 | -13.9 | 0 | 0 | 0 | 118 | ||||
| 706 | L | 20.2 | Very low | 22.7 | Very low | 138 Ų | 138 | 147 Ų | 147 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | -92.4 | 119.6 | -170.7 | -170.7 | 73.4 | 0 | 0 | 0 | 110.8 | L704 | L704-L706 HydrophobicContact CD2-CB 4.19Š| ||
| 707 | A | 25.1 | Very low | 22.7 | Very low | 102 Ų | 102 | 146 Ų | 146 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -109.2 | 114.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 708 | K | 20 | Very low | 22.8 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 121.3 | 179.6 | -68.2 | 172.1 | 175.3 | 175.8 | 0 | 110.5 | ||||
| 709 | M | 24.2 | Very low | 23.3 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -140.1 | 125.2 | 145.6 | -85.1 | -86.9 | 95 | 0 | 0 | 107.5 | ||||
| 710 | S | 21.1 | Very low | 23.4 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -77.2 | 133.9 | -171.9 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 711 | N | 23.9 | Very low | 23.7 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | 169.5 | 89.8 | 122.7 | -86.9 | -6.1 | 0 | 0 | 0 | 110.9 | |||||
| 712 | E | 22.1 | Very low | 23.9 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | 35.9 | 110.4 | 128.3 | -72.8 | -176.9 | 169.2 | 0 | 0 | 121.2 | |||||
| 713 | T | 24 | Very low | 24.1 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | 85.9 | 74.2 | 126.3 | -34.3 | 0 | 0 | 0 | 0 | 118.1 | R715 | T713-R715 PolarHBondContact O-N 3.32Š| |||
| 714 | I | 22.2 | Very low | 24.6 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -64.7 | 112.3 | 148 | -64 | 168.3 | 0 | 0 | 0 | 108.3 | ||||
| 715 | R | 24.2 | Very low | 25 | Very low | 230 Ų | 230 | 140.3 Ų | 140.3 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -85.5 | 117.8 | 160.6 | -91 | -175.5 | 178.6 | 176.3 | 0.5 | 109.2 | T713 | T713-R715 PolarHBondContact O-N 3.32Š| ||
| 716 | N | 21.3 | Very low | 25.3 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -61.6 | 132.4 | 167.3 | -71.9 | -28.2 | 0 | 0 | 0 | 111.1 | ||||
| 717 | A | 27.4 | Very low | 25.8 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -147.2 | 121 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 718 | A | 25.7 | Very low | 26 | Very low | 97 Ų | 97 | 150 Ų | 150 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65 | 164.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 719 | P | 28.9 | Very low | 26.7 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 121.7 | -155.2 | 32.6 | -30.9 | 0 | 0 | 0 | 113.5 | ||
| 720 | G | 27.2 | Very low | 27 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 128 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R722 | G720-R722 PolarHBondContact O-N 2.65Š|
| 721 | A | 26.6 | Very low | 27.3 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 118.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 722 | R | 27.8 | Very low | 27.4 | Very low | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -90.8 | 108.6 | 171.8 | -88.9 | -178.6 | 178.2 | 166.3 | 0.9 | 110.9 | G720 L724 | G720-R722 PolarHBondContact O-N 2.65Å; R722-L724 PolarHBondContact O-N 3Å | ||
| 723 | S | 30.6 | Very low | 27.9 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -60.8 | 124.2 | 157.6 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | T725 | S723-T725 PolarHBondContact O-N 3.13Š| ||
| 724 | L | 31.1 | Very low | 27.9 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -82.4 | 80.8 | -179.5 | -77.7 | 160.1 | 0 | 0 | 0 | 110.6 | R722 | R722-L724 PolarHBondContact O-N 3Š| ||
| 725 | T | 30.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 69% | 0.693 | 81% | 0.809 | S | S | * | * | trans | -87.8 | 103.8 | 157.8 | 52.9 | 0 | 0 | 0 | 0 | 108.5 | S723 K727 | S723-T725 PolarHBondContact O-N 3.13Å; T725-K727 PolarHBondContact O-N 3.23Å | ||
| 726 | R | 28 | Very low | 28.5 | Very low | 245 Ų | 245 | 143.7 Ų | 143.7 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -59.9 | 97.6 | 172.7 | -89.3 | -178.5 | 173.8 | 172.3 | -1.3 | 109.6 | ||||
| 727 | K | 30.5 | Very low | 28.8 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -86.2 | 109.2 | 156.7 | -77.8 | -177.3 | 176.1 | 178.8 | 0 | 107.5 | T725 A729 | T725-K727 PolarHBondContact O-N 3.23Å; K727-A729 PolarHBondContact O-N 3.07Å; K727-A729 VanDerWaalsContact O-N 3.14Å | ||
| 728 | T | 29.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -64.4 | 105.5 | 168.4 | 25.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 729 | A | 33 | Very low | 28.9 | Very low | 82 Ų | 82 | 150.4 Ų | 150.4 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 123.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | K727 V731 | K727-A729 PolarHBondContact O-N 3.07Å; K727-A729 VanDerWaalsContact O-N 3.14Å; A729-V731 HydrophobicContact CB-CG2 4.39Å; A729-V731 PolarHBondContact O-N 3.21Å; A729-V731 VanDerWaalsContact O-N 3.12Å | ||
| 730 | V | 30.3 | Very low | 29.1 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -72.9 | 97.3 | 166.5 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 731 | V | 27.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 116.8 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | A729 | A729-V731 HydrophobicContact CB-CG2 4.39Å; A729-V731 PolarHBondContact O-N 3.21Å; A729-V731 VanDerWaalsContact O-N 3.12Å |
| 732 | Q | 27.4 | Very low | 29.9 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 141 | 168.1 | -110.1 | 174.6 | -12.2 | 0 | 0 | 109.9 | Q734 | Q732-Q734 PolarHBondContact O-N 3.48Š|
| 733 | P | 32.2 | Very low | 30.6 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.7 | -167.9 | 25.6 | -31.3 | 0 | 0 | 0 | 112.5 | Q735 | P733-Q735 PolarHBondContact O-N 3.03Š|
| 734 | Q | 24.2 | Very low | 30.8 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | trans | -74.6 | 112.6 | 159.8 | -81.8 | -175.4 | -29.6 | 0 | 0 | 108.3 | Q732 F736 | Q732-Q734 PolarHBondContact O-N 3.48Å; Q734-F736 PolarHBondContact O-N 2.96Å | ||
| 735 | Q | 28.9 | Very low | 30.8 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | trans | -79.1 | 113.7 | 177 | -67.7 | 180 | -36.9 | 0 | 0 | 109.4 | P733 H737 | P733-Q735 PolarHBondContact O-N 3.03Å; Q735-H737 PolarHBondContact O-N 3.14Å | ||
| 736 | F | 29.5 | Very low | 31 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -77.3 | 104.7 | 159.4 | -78.3 | -82.6 | 0 | 0 | 0 | 107.4 | Q734 R738 | Q734-F736 PolarHBondContact O-N 2.96Å; F736-R738 PolarHBondContact O-N 3.37Å | ||
| 737 | H | 27.4 | Very low | 31 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -65.1 | 104.5 | 172.6 | -134.2 | -87.6 | 0 | 0 | 0 | 108 | Q735 D739 | Q735-H737 PolarHBondContact O-N 3.14Å; H737-D739 IonicContact CE1-OD1 3.79Å; H737-D739 IonicContact ND1-OD1 3.99Å; H737-D739 PolarHBondContact ND1-OD1 2.9Å | ||
| 738 | R | 28.3 | Very low | 31.1 | Very low | 214 Ų | 214 | 132.4 Ų | 132.4 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | trans | -111.3 | 115.1 | 157.3 | -84 | -172.5 | 173.1 | 173.2 | -0.8 | 105.9 | F736 | F736-R738 PolarHBondContact O-N 3.37Š| ||
| 739 | D | 26.7 | Very low | 31 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 66% | 0.658 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 132.9 | -175.9 | -64.2 | -30.7 | 0 | 0 | 0 | 110.6 | H737 S741 | H737-D739 IonicContact CE1-OD1 3.79Å; H737-D739 IonicContact ND1-OD1 3.99Å; H737-D739 PolarHBondContact ND1-OD1 2.9Å; D739-S741 PolarHBondContact O-N 3.3Å |
| 740 | P | 33 | Very low | 31.1 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 50% | 0.5 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 137.6 | 171.1 | -19.7 | 30.2 | 0 | 0 | 0 | 109.7 | ||
| 741 | S | 34.9 | Very low | 31.3 | Very low | 57 Ų | 57 | 134.1 Ų | 134.1 | 40% | 0.399 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 134.9 | 174.1 | -68.9 | 0 | 0 | 0 | 0 | 109.6 | R464 D739 | R464-S741 PolarHBondContact NH1-OG 3.49Å; D739-S741 PolarHBondContact O-N 3.3Å |
| 742 | P | 36.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 141.9 | -176.3 | 21 | -30.5 | 0 | 0 | 0 | 111.3 | ||
| 743 | R | 41.3 | Very low | 31.5 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 42% | 0.419 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 133 | 172.4 | -151.5 | 174.1 | -173.5 | -176.5 | -0.2 | 108.4 | D399 N745 | D399-R743 IonicContact OD1-CZ 2.67Å; D399-R743 IonicContact OD1-NH2 3.45Å; D399-R743 PolarHBondContact OD1-NH2 3.07Å; R743-N745 PolarHBondContact O-N 3.16Å |
| 744 | P | 35.8 | Very low | 31.3 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 50% | 0.5 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 130 | 174.1 | -21.2 | 31.4 | 0 | 0 | 0 | 109.8 | G746 | P744-G746 PolarHBondContact O-N 3.34Š|
| 745 | N | 30.3 | Very low | 31.6 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 95% | 0.952 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -49.5 | 106.7 | -176.7 | -79.5 | -9.5 | 0 | 0 | 0 | 111.8 | R743 | R743-N745 PolarHBondContact O-N 3.16Š|
| 746 | G | 34.5 | Very low | 31.7 | Very low | 46 Ų | 46 | 130 Ų | 130 | 47% | 0.474 | 67% | 0.671 | S | S | . | * | trans | -147.7 | 115 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | P744 Y748 | P744-G746 PolarHBondContact O-N 3.34Å; G746-Y748 PolarHBondContact O-N 3.38Å; G746-Y748 VanDerWaalsContact O-N 3.07Å | ||
| 747 | V | 28 | Very low | 31.7 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | trans | -71 | 99.1 | 179.9 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 748 | Y | 32.8 | Very low | 31.8 | Very low | 186 Ų | 186 | 125 Ų | 125 | 73% | 0.729 | 67% | 0.668 | S | S | * | * | trans | -133.7 | 102.2 | 169.8 | -63.1 | -76.3 | 0 | 0 | 0 | 108.7 | G746 | G746-Y748 PolarHBondContact O-N 3.38Å; G746-Y748 VanDerWaalsContact O-N 3.07Å | ||
| 749 | E | 27.8 | Very low | 31.8 | Very low | 185 Ų | 185 | 123.9 Ų | 123.9 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | -73.3 | 126.9 | 172.4 | -168.6 | 162.5 | -171.3 | 0 | 0 | 108.7 | L751 | E749-L751 PolarHBondContact O-N 3.38Š| ||
| 750 | R | 36.7 | Very low | 31.9 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 31% | 0.313 | 68% | 0.679 | S | S | . | * | trans | -64.1 | 118.4 | -175.5 | -155.5 | -178.2 | -146.8 | 160.7 | 13.8 | 109.1 | Q365 S403 T406 R752 | Q365-R750 PolarHBondContact O-NE 2.8Å; S403-R750 PolarHBondContact O-NH2 3.2Å; T406-R750 PolarHBondContact OG1-NH1 3.17Å; R750-R752 PolarHBondContact O-N 2.86Å | ||
| 751 | L | 34.4 | Very low | 31.4 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | trans | -69.4 | 112.6 | 176.5 | -71.8 | 167.8 | 0 | 0 | 0 | 109.1 | E749 S753 | E749-L751 PolarHBondContact O-N 3.38Å; L751-S753 PolarHBondContact O-N 2.72Å | ||
| 752 | R | 27.9 | Very low | 31.1 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 82% | 0.819 | 72% | 0.719 | S | S | * | * | trans | -71.2 | 118.8 | 173.9 | -141.6 | -178.6 | -158.4 | 178.7 | 5.9 | 108.1 | R750 | R750-R752 PolarHBondContact O-N 2.86Š| ||
| 753 | S | 31.4 | Very low | 30.5 | Very low | 58 Ų | 58 | 143.5 Ų | 143.5 | 41% | 0.406 | 73% | 0.725 | S | S | . | * | trans | -59.3 | 137.7 | 170 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | L751 V755 | L751-S753 PolarHBondContact O-N 2.72Å; S753-V755 PolarHBondContact O-N 3.46Å | ||
| 754 | P | 27.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -64.9 | 108.1 | -178.9 | -17.6 | 29.5 | 0 | 0 | 0 | 110.1 | T756 | P754-T756 PolarHBondContact O-N 3.19Å; P754-T756 VanDerWaalsContact O-N 3.09Å | ||
| 755 | V | 29.6 | Very low | 29.4 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -60 | 113.8 | 165.4 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | S753 A757 | S753-V755 PolarHBondContact O-N 3.46Å; V755-A757 PolarHBondContact O-N 3.03Å | ||
| 756 | T | 31 | Very low | 29 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -69.3 | 83.1 | 168 | 49.8 | 0 | 0 | 0 | 0 | 108.1 | P754 D758 | P754-T756 PolarHBondContact O-N 3.19Å; P754-T756 VanDerWaalsContact O-N 3.09Å; T756-D758 PolarHBondContact O-N 3.16Å | ||
| 757 | A | 30.2 | Very low | 28.5 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | trans | -67.9 | 119.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | V755 K759 | V755-A757 PolarHBondContact O-N 3.03Å; A757-K759 PolarHBondContact O-N 2.99Å | ||
| 758 | D | 29.5 | Very low | 28.2 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -49.6 | 112.5 | 167.7 | -113.3 | -30.3 | 0 | 0 | 0 | 108.5 | T756 D760 | T756-D758 PolarHBondContact O-N 3.16Å; D758-D760 VanDerWaalsContact C-N 3.25Å; D758-D760 PolarHBondContact O-N 2.79Å | ||
| 759 | K | 27 | Very low | 27.8 | Very low | 190 Ų | 190 | 155 Ų | 155 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -75.4 | 83.2 | 175.9 | -79.6 | -176.1 | 175.1 | 179.6 | 0 | 108.3 | A757 E761 | A757-K759 PolarHBondContact O-N 2.99Å; K759-E761 PolarHBondContact O-N 3.11Å; K759-E761 VanDerWaalsContact O-N 3.11Å | ||
| 760 | D | 28.9 | Very low | 27.6 | Very low | 160 Ų | 160 | 151 Ų | 151 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -71.8 | 96.7 | 156.5 | -97.6 | -28.4 | 0 | 0 | 0 | 108.5 | D758 R762 | D758-D760 VanDerWaalsContact C-N 3.25Å; D758-D760 PolarHBondContact O-N 2.79Å; D760-R762 PolarHBondContact O-N 3.05Å | ||
| 761 | E | 23.2 | Very low | 27.1 | Very low | 179 Ų | 179 | 159 Ų | 159 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -64.1 | 90.1 | 171.5 | -71.9 | -174.2 | 150.8 | 0 | 0 | 111.2 | K759 | K759-E761 PolarHBondContact O-N 3.11Å; K759-E761 VanDerWaalsContact O-N 3.11Å | ||
| 762 | R | 29 | Very low | 26.6 | Very low | 239 Ų | 239 | 162 Ų | 162 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -139.8 | 100.3 | 155.3 | -71.8 | -167.3 | -179.8 | -179.7 | 1 | 112.2 | D760 | D760-R762 PolarHBondContact O-N 3.05Š| ||
| 763 | K | 23.4 | Very low | 26.2 | Very low | 210 Ų | 210 | 160.8 Ų | 160.8 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | 1 | 121.2 | 151.9 | -64.3 | 176.8 | 176.2 | 179.5 | 0 | 116.7 | ||||
| 764 | S | 29 | Very low | 25.8 | Very low | 120 Ų | 120 | 167.7 Ų | 167.7 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | -163.1 | 139.3 | 117.4 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 765 | N | 24 | Very low | 25.8 | Very low | 150 Ų | 150 | 167.8 Ų | 167.8 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | trans | -61.6 | 148.3 | -174.3 | -73.1 | -32.5 | 0 | 0 | 0 | 115.6 | ||||
| 766 | Q | 22.6 | Very low | 25.3 | Very low | 178 Ų | 178 | 166.7 Ų | 166.7 | 83% | 0.832 | 85% | 0.847 | S | S | * | * | trans | 14.9 | 119.2 | 138.5 | -60.4 | 179.3 | 11 | 0 | 0 | 117.9 | ||||
| 767 | T | 24.7 | Very low | 25 | Very low | 138 Ų | 138 | 165 Ų | 165 | 85% | 0.847 | 85% | 0.847 | S | S | * | * | -151.8 | 115.9 | 119.3 | -20.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 768 | K | 21.5 | Very low | 24.5 | Very low | 209 Ų | 209 | 172 Ų | 172 | 91% | 0.909 | 86% | 0.857 | S | S | * | * | trans | -75.2 | 123.7 | 163.2 | -75.3 | 175.4 | 173.9 | 177 | 0 | 106.8 | ||||
| 769 | E | 23.7 | Very low | 24.1 | Very low | 192 Ų | 192 | 170.4 Ų | 170.4 | 90% | 0.897 | 85% | 0.849 | S | S | * | * | trans | -146.4 | 123.6 | 152.2 | -116.4 | 177.7 | -166.6 | 0 | 0 | 110.7 | R771 | E769-R771 PolarHBondContact O-N 3.19Š| ||
| 770 | A | 24.8 | Very low | 23.9 | Very low | 100 Ų | 100 | 168.1 Ų | 168.1 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | trans | -72.4 | 117.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K772 | A770-K772 PolarHBondContact O-N 2.7Å; A770-K772 VanDerWaalsContact O-N 3.16Å | ||
| 771 | R | 25.5 | Very low | 23.6 | Very low | 251 Ų | 251 | 166 Ų | 166 | 95% | 0.947 | 84% | 0.838 | S | S | * | * | trans | -85.4 | 86.9 | 170.3 | -160.2 | 171.6 | -172.6 | 176.5 | 1.8 | 109.6 | E769 | E769-R771 PolarHBondContact O-N 3.19Š| ||
| 772 | K | 24.2 | Very low | 23.4 | Very low | 195 Ų | 195 | 163.4 Ų | 163.4 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | trans | -58.6 | 135.9 | 157.1 | -96.1 | 178.9 | 175.6 | 176.8 | 0 | 109 | A770 | A770-K772 PolarHBondContact O-N 2.7Å; A770-K772 VanDerWaalsContact O-N 3.16Å | ||
| 773 | Q | 20.2 | Very low | 23.2 | Very low | 193 Ų | 193 | 156.6 Ų | 156.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -51.3 | 137.1 | 170.1 | -66.1 | 165.2 | -15.4 | 0 | 0 | 110.4 | ||||
| 774 | K | 21.7 | Very low | 23.1 | Very low | 203 Ų | 203 | 155.6 Ų | 155.6 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -118.7 | 137.6 | 165.7 | -111.6 | -174.2 | 177.1 | -178.3 | 0 | 109.3 | ||||
| 775 | P | 27.6 | Very low | 22.6 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -86.4 | 164.4 | -172.2 | 35.6 | -34 | 0 | 0 | 0 | 112.6 | ||||
| 776 | A | 20.5 | Very low | 22.5 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -69.8 | 129.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 777 | A | 23.3 | Very low | 22.6 | Very low | 95 Ų | 95 | 154.6 Ų | 154.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 175.4 | 120.2 | 133.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 778 | R | 20.4 | Very low | 22.5 | Very low | 222 Ų | 222 | 152.3 Ų | 152.3 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 74.9 | 107.9 | 130.6 | -150.6 | 168.2 | -171.9 | 163 | 0.8 | 121.5 | ||||
| 779 | N | 21.1 | Very low | 22.5 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | 71.3 | 142.5 | 131.7 | -65.5 | 5.9 | 0 | 0 | 0 | 124.3 | ||||
| 780 | N | 23.4 | Very low | 22.3 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 83.3 | 107.1 | 159 | -65.1 | -0.9 | 0 | 0 | 0 | 116.6 | ||||
| 781 | V | 21.4 | Very low | 22.1 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | 91.5 | 113.7 | 65.8 | 165.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 782 | T | 19.5 | Very low | 22.1 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | 57.7 | 135.1 | 158.6 | 52.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 783 | S | 25 | Very low | 21.8 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | -166.9 | 151.8 | 55.6 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 784 | E | 20.9 | Very low | 22 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | 46.3 | 151.6 | 132.8 | -63.6 | -175.3 | 167.7 | 0 | 0 | 121.4 | ||||
| 785 | D | 19.7 | Very low | 21.8 | Very low | 116 Ų | 116 | 140 Ų | 140 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | cis | 180 | 152.3 | -24.5 | -157.2 | 10.5 | 0 | 0 | 0 | 102.3 | ||||
| 786 | K | 21.5 | Very low | 21.5 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 78.6 | 132 | 146.7 | -84 | 167.9 | -173.1 | 151.7 | 0 | 124.8 | ||||
| 787 | L | 23.2 | Very low | 21.4 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 81.2 | 139 | 137.3 | -65.5 | 160.8 | 0 | 0 | 0 | 116.8 | ||||
| 788 | S | 23 | Very low | 21.4 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -176 | 147.8 | 9.4 | 38.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 789 | V | 21.1 | Very low | 21.4 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | 49.2 | 143.5 | 127.7 | -175.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 790 | S | 19.9 | Very low | 22.8 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | 174.3 | 159.3 | -18.2 | -172.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 791 | S | 20.5 | Very low | 22.8 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 69.9 | 115.7 | 148.8 | -55.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 792 | Q | 26.7 | Very low | 22.7 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 97% | 0.967 | 78% | 0.777 | S | S | * | * | -157.4 | 145.1 | 121.3 | -109.7 | 169.1 | 3.6 | 0 | 0 | 111.7 | |||||
| 793 | R | 17.7 | Very low | 22.8 | Very low | 223 Ų | 223 | 138.2 Ų | 138.2 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -133.1 | 142.4 | -161.9 | -169.5 | -171.2 | -160.7 | -174.8 | 5.3 | 105.6 | ||||
| 794 | L | 23.1 | Very low | 22.5 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 150 | 135.6 | 130.1 | -78.6 | 167.4 | 0 | 0 | 0 | 113.9 | ||||
| 795 | N | 18.7 | Very low | 22.4 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -76.5 | 157.4 | 164.7 | -68.7 | -35 | 0 | 0 | 0 | 111.1 | ||||
| 796 | A | 20.7 | Very low | 22.5 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | 171.9 | 135 | 122.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 797 | T | 19.1 | Very low | 22.4 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 73.1 | 134.7 | 136.4 | 50.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 798 | A | 21.9 | Very low | 22.3 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 101.3 | 98.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 799 | K | 20.5 | Very low | 22.1 | Very low | 209 Ų | 209 | 144.1 Ų | 144.1 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | 47.2 | 163.7 | 111.9 | -104.6 | -168.1 | -178.2 | -178.8 | 0 | 122.7 | |||||
| 800 | P | 50.9 | Low | 22.1 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | -116.4 | -167.6 | -120.5 | 43.3 | -25.1 | 0 | 0 | 0 | 114.1 | |||||
| 801 | P | 24.8 | Very low | 22.3 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | -156.6 | -170.6 | 90.9 | 39.4 | -16.3 | 0 | 0 | 0 | 117.7 | |||||
| 802 | L | 19 | Very low | 22.3 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -83 | 175.5 | -161.4 | -95.8 | 77.9 | 0 | 0 | 0 | 119.8 | ||||
| 803 | S | 21.1 | Very low | 22 | Very low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | 88.8 | 144 | 150.2 | 73.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 804 | E | 19.1 | Very low | 22.2 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -168.7 | 149.2 | 3.2 | -124.8 | 170.6 | -161.8 | 0 | 0 | 110.2 | ||||
| 805 | S | 18.8 | Very low | 22.3 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | 45.6 | 122.9 | 148 | 63.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 806 | K | 21.5 | Very low | 22.4 | Very low | 209 Ų | 209 | 140.9 Ų | 140.9 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | -178.5 | 146.7 | 115 | -99.4 | 176.4 | -177.3 | -180 | 0 | 112.9 | |||||
| 807 | S | 19 | Very low | 22.5 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -67.5 | 142.8 | -177.7 | 47.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 808 | N | 22.1 | Very low | 22.8 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -166.7 | 140 | 137.6 | -111.8 | -0.9 | 0 | 0 | 0 | 112.8 | ||||
| 809 | E | 18.6 | Very low | 22.7 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -65 | 134.8 | 172.3 | -70.5 | 169.9 | 121.9 | 0 | 0 | 112.6 | ||||
| 810 | N | 20.8 | Very low | 23 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | 157.7 | 144.1 | 126.5 | -90.2 | -42.2 | 0 | 0 | 0 | 111.8 | |||||
| 811 | A | 23.4 | Very low | 21.8 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | 82.3 | 112.4 | 161 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 812 | R | 20.1 | Very low | 21.8 | Very low | 231 Ų | 231 | 152.4 Ų | 152.4 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | 61.2 | 121.5 | 126.4 | -74.5 | -176.5 | 177.5 | -172.8 | -0.3 | 120.5 | |||||
| 813 | I | 21.9 | Very low | 22 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | 71.7 | 104.2 | 143.7 | -53.6 | 166.3 | 0 | 0 | 0 | 116 | ||||
| 814 | G | 22.5 | Very low | 22.3 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | 179.2 | 62.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K816 | G814-K816 PolarHBondContact O-N 2.99Š| ||
| 815 | A | 23.5 | Very low | 23.3 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -68.1 | 99 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 816 | K | 22.1 | Very low | 23.9 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 149 | 172 | -87.1 | 179.2 | 178.5 | 173.9 | 0 | 110.5 | G814 | G814-K816 PolarHBondContact O-N 2.99Š|
| 817 | P | 22.9 | Very low | 24.2 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 132.8 | -168.6 | 29.9 | -33.5 | 0 | 0 | 0 | 111.2 | Q819 | P817-Q819 PolarHBondContact O-N 3.36Š|
| 818 | V | 23.6 | Very low | 24.5 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 118.4 | 169.4 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | L820 | V818-L820 PolarHBondContact O-N 2.94Å; V818-L820 VanDerWaalsContact O-N 3.08Å |
| 819 | Q | 21.2 | Very low | 24.7 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -60.8 | 105.1 | 170.3 | -71.6 | 174 | -9.6 | 0 | 0 | 108.8 | P817 M821 | P817-Q819 PolarHBondContact O-N 3.36Å; Q819-M821 PolarHBondContact O-N 3.45Å | ||
| 820 | L | 26.4 | Very low | 24.9 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.6 | 165.3 | -101.4 | 105.1 | 0 | 0 | 0 | 109 | V818 | V818-L820 PolarHBondContact O-N 2.94Å; V818-L820 VanDerWaalsContact O-N 3.08Å |
| 821 | M | 26.3 | Very low | 25.1 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 93% | 0.931 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 139 | -178.5 | -79 | -161.1 | 165.6 | 0 | 0 | 113.1 | Q819 | Q819-M821 PolarHBondContact O-N 3.45Š|
| 822 | K | 25.2 | Very low | 25.1 | Very low | 209 Ų | 209 | 146 Ų | 146 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137.6 | 163.8 | -73.2 | 174.3 | 173.9 | 174.4 | 0 | 110.1 | ||
| 823 | G | 23.2 | Very low | 25.2 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 101.5 | 82.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 824 | G | 25.5 | Very low | 25.4 | Very low | 68 Ų | 68 | 140.9 Ų | 140.9 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -90.4 | 140.6 | 149 | 0 | 0 | 0 | 0 | 0 | 110.2 | N826 | G824-N826 PolarHBondContact O-N 3.02Å; G824-N826 VanDerWaalsContact O-N 3.11Å | ||
| 825 | P | 41.1 | Very low | 25.5 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -86.4 | 89.3 | -167.9 | 34.2 | -31.1 | 0 | 0 | 0 | 110.1 | ||
| 826 | N | 30.9 | Very low | 25.6 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -172.5 | 80.7 | 151.4 | -92.6 | -28.7 | 0 | 0 | 0 | 107.5 | G824 K828 | G824-N826 PolarHBondContact O-N 3.02Å; G824-N826 VanDerWaalsContact O-N 3.11Å; N826-K828 PolarHBondContact O-N 2.93Å | ||
| 827 | G | 28 | Very low | 25.9 | Very low | 85 Ų | 85 | 139 Ų | 139 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -68.5 | 53.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R829 | G827-R829 VanDerWaalsContact C-N 3.26Å; G827-R829 PolarHBondContact O-N 3.15Å | ||
| 828 | K | 25.7 | Very low | 26 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -79 | 85.3 | 161.3 | -73.7 | -172.1 | -179.9 | 179.3 | 0 | 108.4 | N826 I830 | N826-K828 PolarHBondContact O-N 2.93Å; K828-I830 PolarHBondContact O-N 2.7Å | ||
| 829 | R | 25.9 | Very low | 26.3 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -59.4 | 96.8 | 168.6 | -146.8 | -179.4 | -164.3 | -162.8 | 4.1 | 107.4 | G827 V831 | G827-R829 VanDerWaalsContact C-N 3.26Å; G827-R829 PolarHBondContact O-N 3.15Å; R829-V831 HydrophobicContact CG-CG2 4.32Å; R829-V831 PolarHBondContact O-N 3.5Å | ||
| 830 | I | 23.9 | Very low | 26.7 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -70.5 | 89.7 | 167.2 | -57.5 | 178.5 | 0 | 0 | 0 | 105.7 | K828 V832 | K828-I830 PolarHBondContact O-N 2.7Å; I830-V832 HydrophobicContact CG2-CG2 3.76Å; I830-V832 PolarHBondContact O-N 3.45Å | ||
| 831 | V | 24.1 | Very low | 26.8 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | trans | -70.4 | 88.1 | 165.9 | -179.2 | 0 | 0 | 0 | 0 | 105.7 | R829 K833 | R829-V831 HydrophobicContact CG-CG2 4.32Å; R829-V831 PolarHBondContact O-N 3.5Å; V831-K833 HydrophobicContact CG1-CG 4.06Å; V831-K833 PolarHBondContact O-N 3.19Å | ||
| 832 | V | 24.2 | Very low | 26.9 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | -66.9 | 91.3 | 161.8 | -176.6 | 0 | 0 | 0 | 0 | 105.4 | I830 P834 | I830-V832 HydrophobicContact CG2-CG2 3.76Å; I830-V832 PolarHBondContact O-N 3.45Å; V832-P834 VanDerWaalsContact O-CD 3.27Å; V832-P834 WeakPolarHBondContact O-CD 3.49Å | ||
| 833 | K | 21.4 | Very low | 27.2 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 119.6 | 165 | -82.2 | -175.7 | 176.4 | 175.8 | 0 | 106.2 | V831 A835 | V831-K833 HydrophobicContact CG1-CG 4.06Å; V831-K833 PolarHBondContact O-N 3.19Å; K833-A835 PolarHBondContact O-N 2.89Å |
| 834 | P | 25.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 127.8 | 172.9 | -16.7 | 29.2 | 0 | 0 | 0 | 108.2 | V832 | V832-P834 VanDerWaalsContact O-CD 3.27Å; V832-P834 WeakPolarHBondContact O-CD 3.49Å |
| 835 | A | 24.5 | Very low | 27.9 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 137.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K833 V837 | K833-A835 PolarHBondContact O-N 2.89Å; A835-V837 PolarHBondContact O-N 2.9Å; A835-V837 VanDerWaalsContact O-N 3.15Å |
| 836 | P | 26.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.6 | -171 | 23 | -31.2 | 0 | 0 | 0 | 110.6 | L838 | P836-L838 PolarHBondContact O-N 3.21Š|
| 837 | V | 28.1 | Very low | 27.2 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -65.1 | 102.8 | 168.7 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | A835 K839 | A835-V837 PolarHBondContact O-N 2.9Å; A835-V837 VanDerWaalsContact O-N 3.15Å; V837-K839 PolarHBondContact O-N 3.28Å | ||
| 838 | L | 26.1 | Very low | 27.3 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -65.6 | 104.6 | 172.4 | -71.4 | 169.7 | 0 | 0 | 0 | 108.1 | P836 | P836-L838 PolarHBondContact O-N 3.21Š| ||
| 839 | K | 28.3 | Very low | 27.6 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -61.1 | 133.2 | 171.8 | -76.1 | -175.7 | 176.9 | -179 | 0 | 109.4 | V837 G841 | V837-K839 PolarHBondContact O-N 3.28Å; K839-G841 PolarHBondContact O-N 2.99Å; K839-G841 VanDerWaalsContact O-N 3.14Å | ||
| 840 | P | 29.2 | Very low | 27.7 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -75.1 | 104.5 | -178.4 | 28.3 | -29.7 | 0 | 0 | 0 | 109.3 | ||
| 841 | G | 29 | Very low | 28 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 160.3 | 44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | K839 | K839-G841 PolarHBondContact O-N 2.99Å; K839-G841 VanDerWaalsContact O-N 3.14Å | ||
| 842 | A | 28.4 | Very low | 28.1 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -163.7 | 71.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 843 | L | 31.2 | Very low | 28.2 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 97% | 0.969 | 81% | 0.805 | S | S | * | * | trans | -113 | 78.7 | 163.2 | -80.3 | 167.9 | 0 | 0 | 0 | 108.7 | ||||
| 844 | G | 31.9 | Very low | 28.6 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -72.8 | 123.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 845 | K | 31.4 | Very low | 28.8 | Very low | 216 Ų | 216 | 128.5 Ų | 128.5 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 9.1 | 109.4 | 157.3 | -60.3 | 178.8 | 178.8 | 179.4 | 0 | 116.8 | ||
| 846 | G | 30.5 | Very low | 29 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | 139.2 | -8.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 847 | G | 27.9 | Very low | 29.3 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 126.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 848 | K | 30.4 | Very low | 29.7 | Very low | 202 Ų | 202 | 127.3 Ų | 127.3 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 141 | 170.1 | -78.9 | 179.5 | 178.8 | 175.5 | 0 | 110.4 | ||
| 849 | P | 30.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 142.2 | -174.8 | 25 | -33.3 | 0 | 0 | 0 | 111.1 | K851 | P849-K851 PolarHBondContact O-N 3.39Š|
| 850 | P | 29.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 131.6 | 178.2 | 24.4 | -31.4 | 0 | 0 | 0 | 110.1 | ||
| 851 | K | 28.6 | Very low | 32 | Very low | 198 Ų | 198 | 113.2 Ų | 113.2 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58 | 133.1 | 173.8 | -78.2 | -179.9 | 176 | 178.5 | 0 | 108.8 | P849 | P849-K851 PolarHBondContact O-N 3.39Š|
| 852 | P | 27.7 | Very low | 33 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61 | 146.8 | 179 | 25.2 | -32.3 | 0 | 0 | 0 | 110.1 | A854 | P852-A854 PolarHBondContact O-N 2.96Š|
| 853 | P | 26.5 | Very low | 34.2 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 137.5 | -180 | 24 | -32.1 | 0 | 0 | 0 | 109.9 | V855 | P853-V855 PolarHBondContact O-N 3.32Š|
| 854 | A | 28.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 111.3 Ų | 111.3 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | trans | -54.9 | 108.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109 | P852 I856 | P852-A854 PolarHBondContact O-N 2.96Å; A854-I856 PolarHBondContact O-N 3.48Å | ||
| 855 | V | 29.4 | Very low | 36.9 | Very low | 121 Ų | 121 | 112 Ų | 112 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | -66.4 | 107.9 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 105.9 | P853 C857 | P853-V855 PolarHBondContact O-N 3.32Å; V855-C857 PolarHBondContact O-N 3.37Å | ||
| 856 | I | 29.4 | Very low | 38.5 | Very low | 154 Ų | 154 | 104.3 Ų | 104.3 | 79% | 0.79 | 65% | 0.648 | S | S | * | * | trans | -68.8 | 89.6 | 168.6 | -57.8 | 174 | 0 | 0 | 0 | 105.6 | A854 T858 | A854-I856 PolarHBondContact O-N 3.48Å; I856-T858 PolarHBondContact O-N 2.97Å; I856-T858 VanDerWaalsContact O-N 3.13Å | ||
| 857 | C | 32.8 | Very low | 40.4 | Very low | 62 Ų | 62 | 107 Ų | 107 | 42% | 0.419 | 64% | 0.636 | S | S | . | * | trans | -63.7 | 111.8 | 172.4 | -73.2 | 0 | 0 | 0 | 0 | 107.6 | V855 M862 | V855-C857 PolarHBondContact O-N 3.37Å; C857-M862 HydrophobicContact CB-CG 4.25Å | ||
| 858 | T | 37.6 | Very low | 42.3 | Very low | 90 Ų | 90 | 109.9 Ų | 109.9 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | trans | -60.4 | 146.3 | 172.6 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | I856 S860 V861 M862 | I856-T858 PolarHBondContact O-N 2.97Å; I856-T858 VanDerWaalsContact O-N 3.13Å; T858-S860 PolarHBondContact O-N 3.21Å; T858-V861 PolarHBondContact O-N 2.94Å; T858-M862 PolarHBondContact O-N 2.88Å | ||
| 859 | G | 38.2 | Very low | 44.2 | Very low | 44 Ų | 44 | 105.7 Ų | 105.7 | 45% | 0.454 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -53.9 | -23.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | M862 K863 | G859-M862 PolarHBondContact O-N 3.49Å; G859-K863 WeakPolarHBondContact O-CB 3.42Å; G859-K863 WeakPolarHBondContact O-CG 3.46Å; G859-K863 PolarHBondContact O-N 2.86Å |
| 860 | S | 43.8 | Very low | 46.1 | Very low | 82 Ų | 82 | 104.9 Ų | 104.9 | 57% | 0.573 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.5 | -38 | 174 | -174.9 | 0 | 0 | 0 | 0 | 113.6 | T858 K863 S864 | T858-S860 PolarHBondContact O-N 3.21Å; S860-K863 PolarHBondContact O-N 3.45Å; S860-S864 PolarHBondContact O-N 3.45Å; S860-S864 PolarHBondContact O-OG 2.92Å |
| 861 | V | 48.1 | Very low | 47.9 | Very low | 66 Ų | 66 | 102.8 Ų | 102.8 | 40% | 0.4 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.1 | -41.6 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | T858 S864 I865 | T858-V861 PolarHBondContact O-N 2.94Å; V861-S864 PolarHBondContact O-N 2.9Å; V861-I865 HydrophobicContact CG1-CD1 3.96Å; V861-I865 HydrophobicContact CG1-CG1 4.49Å; V861-I865 WeakPolarHBondContact O-CG1 3.46Å; V861-I865 PolarHBondContact O-N 2.84Å |
| 862 | M | 50.2 | Low | 49.5 | Very low | 122 Ų | 122 | 97 Ų | 97 | 60% | 0.601 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.1 | -40.8 | 174.3 | -70.2 | -135.1 | -82.6 | 0 | 0 | 112.2 | C857 T858 G859 S864 I865 A866 | C857-M862 HydrophobicContact CB-CG 4.25Å; T858-M862 PolarHBondContact O-N 2.88Å; G859-M862 PolarHBondContact O-N 3.49Å; M862-S864 VanDerWaalsContact C-N 3.29Å; M862-S864 PolarHBondContact O-N 3.02Å; M862-I865 PolarHBondContact O-N 3.32Å; M862-A866 VanDerWaalsContact O-CB 3.26Å; M862-A866 WeakPolarHBondContact O-CB 3.43Å; M862-A866 PolarHBondContact O-N 3.33Å |
| 863 | K | 53.7 | Low | 51.5 | Low | 119 Ų | 119 | 96.1 Ų | 96.1 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 172.2 | -79.9 | 179.4 | 178.4 | 179.6 | 0 | 111.9 | G859 S860 K867 | G859-K863 WeakPolarHBondContact O-CB 3.42Å; G859-K863 WeakPolarHBondContact O-CG 3.46Å; G859-K863 PolarHBondContact O-N 2.86Å; S860-K863 PolarHBondContact O-N 3.45Å; K863-K867 WeakPolarHBondContact O-CB 3.31Å; K863-K867 PolarHBondContact O-N 2.94Å |
| 864 | S | 58.2 | Low | 53.4 | Low | 74 Ų | 74 | 95.2 Ų | 95.2 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 178.1 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | S860 V861 M862 F868 | S860-S864 PolarHBondContact O-N 3.45Å; S860-S864 PolarHBondContact O-OG 2.92Å; V861-S864 PolarHBondContact O-N 2.9Å; M862-S864 VanDerWaalsContact C-N 3.29Å; M862-S864 PolarHBondContact O-N 3.02Å; S864-F868 VanDerWaalsContact O-CB 3.29Å; S864-F868 WeakPolarHBondContact O-CB 3.38Å; S864-F868 PolarHBondContact O-N 2.89Å |
| 865 | I | 61 | Low | 54.7 | Low | 85 Ų | 85 | 97.3 Ų | 97.3 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 174.3 | -67 | 168.1 | 0 | 0 | 0 | 109.9 | V861 M862 K867 F868 E869 | V861-I865 HydrophobicContact CG1-CD1 3.96Å; V861-I865 HydrophobicContact CG1-CG1 4.49Å; V861-I865 WeakPolarHBondContact O-CG1 3.46Å; V861-I865 PolarHBondContact O-N 2.84Å; M862-I865 PolarHBondContact O-N 3.32Å; I865-K867 VanDerWaalsContact C-N 3.34Å; I865-K867 PolarHBondContact O-N 3.49Å; I865-F868 CarbonylContact O-C 3.53Å; I865-F868 WeakPolarHBondContact O-CB 3.21Å; I865-F868 PolarHBondContact O-N 3.44Å; I865-F868 VanDerWaalsContact O-N 3.12Å; I865-E869 HydrophobicContact CG2-CG 4.36Å; I865-E869 WeakPolarHBondContact O-CG 3.47Å; I865-E869 PolarHBondContact O-N 2.86Å |
| 866 | A | 66.1 | Low | 56 | Low | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | M862 F868 E869 E870 | M862-A866 VanDerWaalsContact O-CB 3.26Å; M862-A866 WeakPolarHBondContact O-CB 3.43Å; M862-A866 PolarHBondContact O-N 3.33Å; A866-F868 VanDerWaalsContact C-N 3.34Å; A866-F868 PolarHBondContact O-N 3.41Å; A866-E869 PolarHBondContact O-N 2.93Å; A866-E870 VanDerWaalsContact O-CB 3.31Å; A866-E870 WeakPolarHBondContact O-CB 3.39Å; A866-E870 PolarHBondContact O-N 3.48Å |
| 867 | K | 69.4 | Low | 57.3 | Low | 140 Ų | 140 | 96.5 Ų | 96.5 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -34.3 | 176.2 | -163.8 | 173 | -171 | 174.9 | 0 | 112.3 | K863 I865 N871 | K863-K867 WeakPolarHBondContact O-CB 3.31Å; K863-K867 PolarHBondContact O-N 2.94Å; I865-K867 VanDerWaalsContact C-N 3.34Å; I865-K867 PolarHBondContact O-N 3.49Å; K867-N871 WeakPolarHBondContact O-CB 3.47Å; K867-N871 VanDerWaalsContact O-CG 3.23Å; K867-N871 PolarHBondContact O-N 3.34Å; K867-N871 PolarHBondContact O-ND2 2.7Å |
| 868 | F | 68.3 | Low | 58.2 | Low | 135 Ų | 135 | 100.1 Ų | 100.1 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.6 | -44.3 | 173 | -179.6 | -99.2 | 0 | 0 | 0 | 111.4 | S864 I865 A866 N871 L872 | S864-F868 VanDerWaalsContact O-CB 3.29Å; S864-F868 WeakPolarHBondContact O-CB 3.38Å; S864-F868 PolarHBondContact O-N 2.89Å; I865-F868 CarbonylContact O-C 3.53Å; I865-F868 WeakPolarHBondContact O-CB 3.21Å; I865-F868 PolarHBondContact O-N 3.44Å; I865-F868 VanDerWaalsContact O-N 3.12Å; A866-F868 VanDerWaalsContact C-N 3.34Å; A866-F868 PolarHBondContact O-N 3.41Å; F868-N871 PolarHBondContact O-N 2.78Å; F868-L872 HydrophobicContact CE1-CD1 3.7Å; F868-L872 HydrophobicContact CZ-CD1 3.73Å; F868-L872 WeakPolarHBondContact O-CB 3.22Å; F868-L872 PolarHBondContact O-N 3.3Å |
| 869 | E | 70.1 | Confident | 58.3 | Low | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.7 | -72.8 | 179.7 | 165 | 0 | 0 | 111.9 | I865 A866 N871 L872 I873 | I865-E869 HydrophobicContact CG2-CG 4.36Å; I865-E869 WeakPolarHBondContact O-CG 3.47Å; I865-E869 PolarHBondContact O-N 2.86Å; A866-E869 PolarHBondContact O-N 2.93Å; E869-N871 PolarHBondContact O-N 3.37Å; E869-L872 CarbonylContact O-C 3.57Å; E869-L872 WeakPolarHBondContact O-CB 3.4Å; E869-L872 PolarHBondContact O-N 2.85Å; E869-L872 VanDerWaalsContact O-N 3.12Å; E869-I873 VanDerWaalsContact O-CG1 3.27Å; E869-I873 WeakPolarHBondContact O-CG1 3.32Å; E869-I873 PolarHBondContact O-N 3.48Å |
| 870 | E | 70.8 | Confident | 58.2 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 174.2 | -165.5 | -166.2 | 163.5 | 0 | 0 | 111.1 | A866 L872 I873 K874 | A866-E870 VanDerWaalsContact O-CB 3.31Å; A866-E870 WeakPolarHBondContact O-CB 3.39Å; A866-E870 PolarHBondContact O-N 3.48Å; E870-L872 VanDerWaalsContact C-N 3.3Å; E870-L872 PolarHBondContact O-N 3.41Å; E870-I873 PolarHBondContact O-N 3.49Å; E870-K874 WeakPolarHBondContact O-CG 3.31Å; E870-K874 PolarHBondContact O-N 3.01Å; E870-K874 VanDerWaalsContact OE1-CE 3.28Å; E870-K874 WeakPolarHBondContact OE1-CE 3.34Å; E870-K874 IonicContact OE1-NZ 3.17Å; E870-K874 PolarHBondContact OE1-NZ 3.35Å |
| 871 | N | 68.1 | Low | 57.6 | Low | 80 Ų | 80 | 108 Ų | 108 | 43% | 0.428 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -34.8 | 174.2 | -76.7 | -22.4 | 0 | 0 | 0 | 112.3 | K867 F868 E869 H875 | K867-N871 WeakPolarHBondContact O-CB 3.47Å; K867-N871 VanDerWaalsContact O-CG 3.23Å; K867-N871 PolarHBondContact O-N 3.34Å; K867-N871 PolarHBondContact O-ND2 2.7Å; F868-N871 PolarHBondContact O-N 2.78Å; E869-N871 PolarHBondContact O-N 3.37Å; N871-H875 WeakPolarHBondContact O-CB 3.35Å; N871-H875 PolarHBondContact O-N 3.49Å |
| 872 | L | 60.8 | Low | 56.9 | Low | 75 Ų | 75 | 110.8 Ų | 110.8 | 39% | 0.393 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.7 | -33.3 | 177.5 | -148.9 | 117.6 | 0 | 0 | 0 | 111.8 | F868 E869 E870 K876 | F868-L872 HydrophobicContact CE1-CD1 3.7Å; F868-L872 HydrophobicContact CZ-CD1 3.73Å; F868-L872 WeakPolarHBondContact O-CB 3.22Å; F868-L872 PolarHBondContact O-N 3.3Å; E869-L872 CarbonylContact O-C 3.57Å; E869-L872 WeakPolarHBondContact O-CB 3.4Å; E869-L872 PolarHBondContact O-N 2.85Å; E869-L872 VanDerWaalsContact O-N 3.12Å; E870-L872 VanDerWaalsContact C-N 3.3Å; E870-L872 PolarHBondContact O-N 3.41Å; L872-K876 WeakPolarHBondContact O-CB 3.48Å; L872-K876 WeakPolarHBondContact O-CG 3.19Å; L872-K876 PolarHBondContact O-N 3.34Å; L872-K876 VanDerWaalsContact O-N 3.13Å |
| 873 | I | 70.6 | Confident | 56 | Low | 95 Ų | 95 | 112.8 Ų | 112.8 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69 | -48.3 | 172 | -67.9 | 164.2 | 0 | 0 | 0 | 109.7 | E869 E870 H875 K876 E877 | E869-I873 VanDerWaalsContact O-CG1 3.27Å; E869-I873 WeakPolarHBondContact O-CG1 3.32Å; E869-I873 PolarHBondContact O-N 3.48Å; E870-I873 PolarHBondContact O-N 3.49Å; I873-H875 VanDerWaalsContact C-N 3.33Å; I873-H875 PolarHBondContact O-N 3.09Å; I873-K876 CarbonylContact O-C 3.49Å; I873-K876 WeakPolarHBondContact O-CA 3.37Å; I873-K876 WeakPolarHBondContact O-CB 3.12Å; I873-K876 PolarHBondContact O-N 3.09Å; I873-E877 HydrophobicContact CG2-CG 4.42Å; I873-E877 PolarHBondContact O-N 3.02Å |
| 874 | K | 65.8 | Low | 55 | Low | 96 Ų | 96 | 118 Ų | 118 | 42% | 0.417 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -56.6 | -45 | 175.3 | -74.4 | 175.5 | -175.7 | 167 | 0 | 112 | E870 K876 E877 D878 | E870-K874 WeakPolarHBondContact O-CG 3.31Å; E870-K874 PolarHBondContact O-N 3.01Å; E870-K874 VanDerWaalsContact OE1-CE 3.28Å; E870-K874 WeakPolarHBondContact OE1-CE 3.34Å; E870-K874 IonicContact OE1-NZ 3.17Å; E870-K874 PolarHBondContact OE1-NZ 3.35Å; K874-K876 VanDerWaalsContact C-N 3.27Å; K874-K876 PolarHBondContact O-N 3.37Å; K874-E877 PolarHBondContact O-N 2.98Å; K874-E877 VanDerWaalsContact O-N 3.11Å; K874-D878 PolarHBondContact O-N 3.02Å |
| 875 | H | 56.8 | Low | 53.6 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.8 | -31.2 | 174.4 | -107.9 | -67.7 | 0 | 0 | 0 | 113.7 | N871 I873 T879 | N871-H875 WeakPolarHBondContact O-CB 3.35Å; N871-H875 PolarHBondContact O-N 3.49Å; I873-H875 VanDerWaalsContact C-N 3.33Å; I873-H875 PolarHBondContact O-N 3.09Å; H875-T879 PolarHBondContact O-OG1 3.41Å |
| 876 | K | 55.4 | Low | 52.3 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.1 | -26.5 | 174.4 | -81.5 | -179.4 | 177.7 | 177.6 | 0 | 112.9 | L872 I873 K874 T879 | L872-K876 WeakPolarHBondContact O-CB 3.48Å; L872-K876 WeakPolarHBondContact O-CG 3.19Å; L872-K876 PolarHBondContact O-N 3.34Å; L872-K876 VanDerWaalsContact O-N 3.13Å; I873-K876 CarbonylContact O-C 3.49Å; I873-K876 WeakPolarHBondContact O-CA 3.37Å; I873-K876 WeakPolarHBondContact O-CB 3.12Å; I873-K876 PolarHBondContact O-N 3.09Å; K874-K876 VanDerWaalsContact C-N 3.27Å; K874-K876 PolarHBondContact O-N 3.37Å; K876-T879 WeakPolarHBondContact CA-OG1 3.33Å; K876-T879 PolarHBondContact O-OG1 2.91Å |
| 877 | E | 57 | Low | 50.7 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 59% | 0.593 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.3 | -41.2 | 174.1 | -73.5 | -177.2 | 164 | 0 | 0 | 111.3 | I873 K874 T879 K880 | I873-E877 HydrophobicContact CG2-CG 4.42Å; I873-E877 PolarHBondContact O-N 3.02Å; K874-E877 PolarHBondContact O-N 2.98Å; K874-E877 VanDerWaalsContact O-N 3.11Å; E877-T879 PolarHBondContact O-N 2.82Å; E877-T879 VanDerWaalsContact O-N 3.09Å; E877-K880 PolarHBondContact O-N 2.94Å; E877-K880 VanDerWaalsContact O-N 3.09Å |
| 878 | D | 52.2 | Low | 49.1 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -17.9 | 174.9 | -73.3 | -22.4 | 0 | 0 | 0 | 113.5 | K874 | K874-D878 PolarHBondContact O-N 3.02Š|
| 879 | T | 39.3 | Very low | 47.4 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 3.8 | 178.9 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | H875 K876 E877 | H875-T879 PolarHBondContact O-OG1 3.41Å; K876-T879 WeakPolarHBondContact CA-OG1 3.33Å; K876-T879 PolarHBondContact O-OG1 2.91Å; E877-T879 PolarHBondContact O-N 2.82Å; E877-T879 VanDerWaalsContact O-N 3.09Å |
| 880 | K | 36.7 | Very low | 45.6 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 71% | 0.709 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -94.8 | 127 | 171.9 | -80.3 | -179.2 | 179.8 | 175.5 | 0 | 111.2 | E877 | E877-K880 PolarHBondContact O-N 2.94Å; E877-K880 VanDerWaalsContact O-N 3.09Å |
| 881 | P | 31.7 | Very low | 43.9 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 152.6 | 174.8 | 27 | -31.8 | 0 | 0 | 0 | 111 | I883 | P881-I883 PolarHBondContact O-N 3.11Š|
| 882 | P | 32.8 | Very low | 42.3 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131.7 | -168.1 | 24.7 | -33.1 | 0 | 0 | 0 | 111.5 | R884 | P882-R884 PolarHBondContact O-N 2.97Š|
| 883 | I | 32 | Very low | 41.4 | Very low | 165 Ų | 165 | 159.3 Ų | 159.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -63.3 | 100.8 | 174.4 | -62.5 | 170.8 | 0 | 0 | 0 | 107.9 | P881 L885 | P881-I883 PolarHBondContact O-N 3.11Å; I883-L885 PolarHBondContact O-N 3.44Å | ||
| 884 | R | 31.4 | Very low | 39.9 | Very low | 227 Ų | 227 | 162.6 Ų | 162.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -68.5 | 109.2 | 166.6 | -97.4 | -175.7 | 173.5 | -178 | -1.4 | 108.6 | P882 Q886 | P882-R884 PolarHBondContact O-N 2.97Å; R884-Q886 PolarHBondContact O-N 3.16Å | ||
| 885 | L | 29.4 | Very low | 38.4 | Very low | 156 Ų | 156 | 166.3 Ų | 166.3 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -53.9 | 100.1 | 160.7 | -77.4 | 153.4 | 0 | 0 | 0 | 109 | I883 Y887 | I883-L885 PolarHBondContact O-N 3.44Å; L885-Y887 PolarHBondContact O-N 3.33Å | ||
| 886 | Q | 32.6 | Very low | 37.3 | Very low | 182 Ų | 182 | 167.9 Ų | 167.9 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 108.8 | 167.4 | -76.9 | -158.1 | -4.5 | 0 | 0 | 108.9 | R884 S888 | R884-Q886 PolarHBondContact O-N 3.16Å; Q886-S888 PolarHBondContact O-N 3.26Å | ||
| 887 | Y | 33.9 | Very low | 36.2 | Very low | 219 Ų | 219 | 170.3 Ų | 170.3 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | -57 | 130.6 | 168.5 | -83.7 | -94.7 | 0 | 0 | 0 | 110.9 | L885 K889 | L885-Y887 PolarHBondContact O-N 3.33Å; Y887-K889 PolarHBondContact O-N 3.08Å | ||
| 888 | S | 36.3 | Very low | 34.8 | Very low | 116 Ų | 116 | 173.2 Ų | 173.2 | 81% | 0.811 | 84% | 0.844 | S | S | * | * | trans | -54.6 | 116.9 | 177.8 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | Q886 K890 | Q886-S888 PolarHBondContact O-N 3.26Å; S888-K890 PolarHBondContact O-N 3Å; S888-K890 VanDerWaalsContact O-N 3.16Å | ||
| 889 | K | 32.2 | Very low | 33.6 | Very low | 210 Ų | 210 | 175.7 Ų | 175.7 | 91% | 0.913 | 85% | 0.851 | S | S | * | * | trans | -67.3 | 103.5 | 162.3 | -80.4 | -177.2 | 175.2 | -179.7 | 0 | 109.6 | Y887 | Y887-K889 PolarHBondContact O-N 3.08Š| ||
| 890 | K | 31.8 | Very low | 33.1 | Very low | 196 Ų | 196 | 181 Ų | 181 | 85% | 0.852 | 87% | 0.866 | S | S | * | * | trans | -148.9 | 103.2 | 154.2 | -83.6 | -169.1 | 178.9 | 176.6 | 0 | 109.1 | S888 | S888-K890 PolarHBondContact O-N 3Å; S888-K890 VanDerWaalsContact O-N 3.16Å | ||
| 891 | M | 34 | Very low | 32.8 | Very low | 198 Ų | 198 | 182.5 Ų | 182.5 | 98% | 0.975 | 88% | 0.879 | S | S | * | * | trans | -156.6 | 136.2 | 137 | -107.5 | 175.7 | -175.6 | 0 | 0 | 108.5 | ||||
| 892 | K | 35.8 | Very low | 32.9 | Very low | 285 Ų | 285 | 188.9 Ų | 188.9 | 100% | 1.239 | 89% | 0.893 | S | S | * | * | trans | -63.3 | 0 | -171.7 | -73.5 | 174.7 | 172.1 | 178.5 | 0 | 112.8 |
Retrieved 892 of 892 residues in 364.2 ms
(Link to these results)