| 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 | 33.4 | Very low | 31.9 | Very low | 248 Ų | 248 | 165 Ų | 165 | 100% | 1.222 | 88% | 0.882 | S | S | * | * | 0 | 125.5 | 0 | -86.5 | 171.8 | 178.5 | 0 | 0 | 107.7 | |||||
| 2 | L | 29.4 | Very low | 31.5 | Very low | 179 Ų | 179 | 161.8 Ų | 161.8 | 94% | 0.937 | 87% | 0.873 | S | S | * | * | trans | -94.9 | 147.6 | -171.4 | -78 | 135.1 | 0 | 0 | 0 | 111 | ||||
| 3 | F | 27 | Very low | 31.1 | Very low | 198 Ų | 198 | 156 Ų | 156 | 87% | 0.868 | 85% | 0.852 | S | S | * | * | trans | -80.8 | -176.2 | 160 | -78.8 | -82.3 | 0 | 0 | 0 | 110.5 | ||||
| 4 | P | 52.8 | Low | 30.8 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 73% | 0.734 | 84% | 0.844 | S | S | * | * | -131.7 | -178.5 | -57.5 | 38.1 | -21.8 | 0 | 0 | 0 | 112 | |||||
| 5 | S | 32.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 153 Ų | 153 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | trans | -170.8 | 143.3 | 142.9 | 49.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 6 | H | 32.2 | Very low | 30.4 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | trans | -89.9 | 156.3 | -179.5 | -112.3 | -90.2 | 0 | 0 | 0 | 111.6 | ||||
| 7 | D | 30.1 | Very low | 30.4 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -151.7 | 128.2 | 144.2 | -95.7 | -31.8 | 0 | 0 | 0 | 110.4 | ||||
| 8 | S | 29.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | trans | -141.9 | 123.9 | 169.2 | -74 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | Q | 29.4 | Very low | 30.9 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 98% | 0.977 | 82% | 0.816 | S | S | * | * | trans | -65.6 | 127.2 | -178.6 | -70.9 | 170.5 | -25.4 | 0 | 0 | 110.9 | ||||
| 10 | A | 27.8 | Very low | 31.3 | Very low | 90 Ų | 90 | 146.5 Ų | 146.5 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -121.6 | 128 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | T12 | A10-T12 PolarHBondContact O-N 2.8Š| ||
| 11 | F | 26.6 | Very low | 32 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -57.9 | 111.2 | 176.5 | -167.3 | -97.1 | 0 | 0 | 0 | 110.3 | S13 | F11-S13 PolarHBondContact O-N 3.27Š| ||
| 12 | T | 27.5 | Very low | 33 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -81 | 106 | 173.7 | 34.9 | 0 | 0 | 0 | 0 | 109.9 | A10 V14 | A10-T12 PolarHBondContact O-N 2.8Å; T12-V14 PolarHBondContact O-N 2.76Å | ||
| 13 | S | 25.8 | Very low | 34.3 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | trans | -61.3 | 113.6 | 158.8 | 47.8 | 0 | 0 | 0 | 0 | 108.6 | F11 D15 | F11-S13 PolarHBondContact O-N 3.27Å; S13-D15 VanDerWaalsContact C-N 3.31Å; S13-D15 PolarHBondContact O-N 3.34Å | ||
| 14 | V | 27.1 | Very low | 36.2 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | trans | -70.3 | 94.4 | 164.5 | 176.5 | 0 | 0 | 0 | 0 | 106.4 | T12 M16 | T12-V14 PolarHBondContact O-N 2.76Å; V14-M16 VanDerWaalsContact C-N 3.27Å; V14-M16 PolarHBondContact O-N 3.03Å | ||
| 15 | D | 26.6 | Very low | 37.1 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -66.3 | 93.9 | 162.8 | -83.1 | -31.4 | 0 | 0 | 0 | 107.6 | S13 D17 | S13-D15 VanDerWaalsContact C-N 3.31Å; S13-D15 PolarHBondContact O-N 3.34Å; D15-D17 VanDerWaalsContact C-N 3.27Å; D15-D17 PolarHBondContact O-N 3.08Å | ||
| 16 | M | 29.8 | Very low | 39.3 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | -66.6 | 95 | 155.7 | -95.6 | -174.9 | -69.6 | 0 | 0 | 106.8 | V14 V18 | V14-M16 VanDerWaalsContact C-N 3.27Å; V14-M16 PolarHBondContact O-N 3.03Å; M16-V18 HydrophobicContact CB-CG2 4.46Å; M16-V18 PolarHBondContact O-N 3.12Å | ||
| 17 | D | 30.2 | Very low | 41.6 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | trans | -65.6 | 90.2 | 161.6 | -163.5 | 18.4 | 0 | 0 | 0 | 107.1 | D15 G19 | D15-D17 VanDerWaalsContact C-N 3.27Å; D15-D17 PolarHBondContact O-N 3.08Å; D17-G19 PolarHBondContact O-N 3.31Å | ||
| 18 | V | 33.7 | Very low | 43.8 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | trans | -64.2 | 94 | 173.3 | 175.6 | 0 | 0 | 0 | 0 | 105.9 | M16 N20 | M16-V18 HydrophobicContact CB-CG2 4.46Å; M16-V18 PolarHBondContact O-N 3.12Å; V18-N20 PolarHBondContact O-N 3.48Å | ||
| 19 | G | 36.9 | Very low | 46 | Very low | 55 Ų | 55 | 111.2 Ų | 111.2 | 57% | 0.567 | 61% | 0.608 | S | S | * | * | trans | -45.7 | 112.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D17 R21 | D17-G19 PolarHBondContact O-N 3.31Å; G19-R21 PolarHBondContact O-N 2.99Å | ||
| 20 | N | 37.6 | Very low | 48 | Very low | 146 Ų | 146 | 105.2 Ų | 105.2 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | trans | -68.3 | 84.4 | 164.9 | -144.7 | 1.6 | 0 | 0 | 0 | 106.6 | V18 T22 | V18-N20 PolarHBondContact O-N 3.48Å; N20-T22 PolarHBondContact O-N 3.17Å | ||
| 21 | R | 47.3 | Very low | 50.1 | Low | 213 Ų | 213 | 101 Ų | 101 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | trans | -72.3 | 70.1 | 173.7 | -77 | -173 | 177 | 177.1 | 3.2 | 108.8 | G19 I23 | G19-R21 PolarHBondContact O-N 2.99Å; R21-I23 PolarHBondContact O-N 3.06Å; R21-I23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | T | 52.7 | Low | 52 | Low | 113 Ų | 113 | 93.9 Ų | 93.9 | 69% | 0.693 | 52% | 0.516 | S | S | * | . | trans | -59 | 114.1 | 164.7 | 37.7 | 0 | 0 | 0 | 0 | 107.8 | N20 L24 | N20-T22 PolarHBondContact O-N 3.17Å; T22-L24 PolarHBondContact O-N 3.06Å | ||
| 23 | I | 58 | Low | 53.9 | Low | 147 Ų | 147 | 89.5 Ų | 89.5 | 75% | 0.754 | 49% | 0.491 | S | S | * | . | trans | -58.1 | 123 | 173.1 | -64.2 | 172.5 | 0 | 0 | 0 | 106.9 | R21 T25 | R21-I23 PolarHBondContact O-N 3.06Å; R21-I23 VanDerWaalsContact O-N 3.09Å; I23-T25 HydrophobicContact CG2-CG2 4.45Å; I23-T25 PolarHBondContact O-N 3.39Å; I23-T25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | L | 67.2 | Low | 55.9 | Low | 23 Ų | 23 | 90 Ų | 90 | 12% | 0.12 | 50% | 0.5 | C | S | . | . | trans | -68.8 | 109 | 178.4 | 177.9 | 47.7 | 0 | 0 | 0 | 110.2 | T22 E26 F27 F183 N187 | T22-L24 PolarHBondContact O-N 3.06Å; L24-E26 WeakPolarHBondContact CD1-O 3.25Å; L24-F27 HydrophobicContact CD2-CD1 4.09Å; L24-F27 HydrophobicContact CD2-CE1 3.38Å; L24-F27 HydrophobicContact CD2-CZ 3.91Å; L24-F27 HydrophobicContact CG-CE1 4.19Å; L24-F27 HydrophobicContact CG-CZ 4.48Å; L24-F183 HydrophobicContact CD2-CB 3.7Å; L24-N187 HydrophobicContact CD1-CB 3.66Å; L24-N187 WeakPolarHBondContact CD1-ND2 3.42Å; L24-N187 WeakPolarHBondContact CD1-OD1 3.42Å; L24-N187 WeakPolarHBondContact CD2-OD1 3.25Å | ||
| 25 | T | 70.5 | Confident | 58.1 | Low | 88 Ų | 88 | 87.3 Ų | 87.3 | 54% | 0.54 | 48% | 0.481 | S | S | . | . | trans | -103.8 | -19.8 | -179.3 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | I23 L109 | I23-T25 HydrophobicContact CG2-CG2 4.45Å; I23-T25 PolarHBondContact O-N 3.39Å; I23-T25 VanDerWaalsContact O-N 3.13Å; T25-L109 PolarHBondContact O-N 3.43Å | ||
| 26 | E | 79.9 | Confident | 60.5 | Low | 77 Ų | 77 | 85.3 Ų | 85.3 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 145 | -171.7 | -62.2 | 179.8 | 170.8 | 0 | 0 | 112.5 | L24 R106 I107 N187 | L24-E26 WeakPolarHBondContact CD1-O 3.25Å; E26-R106 WeakPolarHBondContact OE2-CD 3.5Å; E26-R106 IonicContact OE2-CZ 2.81Å; E26-R106 IonicContact OE2-NE 2.88Å; E26-R106 IonicContact OE2-NH1 3.99Å; E26-R106 PolarHBondContact OE2-NH1 2.9Å; E26-I107 CarbonylContact C-O 3.29Å; E26-I107 WeakPolarHBondContact CA-O 3.37Å; E26-N187 WeakPolarHBondContact O-CB 3.2Å |
| 27 | F | 79 | Confident | 62.9 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 151.8 | 168.8 | -60.5 | -74.3 | 0 | 0 | 0 | 111.2 | L24 R106 I107 L109 C112 F183 N187 I189 L199 M202 | L24-F27 HydrophobicContact CD2-CD1 4.09Å; L24-F27 HydrophobicContact CD2-CE1 3.38Å; L24-F27 HydrophobicContact CD2-CZ 3.91Å; L24-F27 HydrophobicContact CG-CE1 4.19Å; L24-F27 HydrophobicContact CG-CZ 4.48Å; F27-R106 CarbonylContact O-C 3.56Å; F27-R106 VanDerWaalsContact O-CA 3.24Å; F27-R106 WeakPolarHBondContact O-CA 3.49Å; F27-I107 HydrophobicContact CB-CG2 3.85Å; F27-I107 PolarHBondContact N-O 3.2Å; F27-I107 PolarHBondContact O-N 2.87Å; F27-L109 HydrophobicContact CE2-CD1 3.47Å; F27-L109 VanDerWaalsContact CE2-CD1 3.47Å; F27-L109 HydrophobicContact CZ-CD1 3.79Å; F27-C112 HydrophobicContact CD2-CB 4.05Å; F27-C112 HydrophobicContact CE2-CB 4.21Å; F27-F183 HydrophobicContact CZ-CD2 4.16Å; F27-F183 HydrophobicContact CZ-CG 4.28Å; F27-N187 CarbonylContact C-O 3.57Å; F27-N187 WeakPolarHBondContact CA-O 3.23Å; F27-I189 HydrophobicContact CB-CD1 3.71Å; F27-I189 HydrophobicContact CB-CG1 4.15Å; F27-I189 HydrophobicContact CD1-CD1 3.83Å; F27-I189 HydrophobicContact CD1-CG1 4.04Å; F27-I189 HydrophobicContact CD2-CD1 4.01Å; F27-I189 HydrophobicContact CE1-CD1 4.4Å; F27-I189 HydrophobicContact CG-CD1 3.6Å; F27-I189 HydrophobicContact CG-CG1 4.2Å; F27-L199 HydrophobicContact CE1-CD2 4.48Å; F27-L199 HydrophobicContact CE2-CD2 4.08Å; F27-L199 HydrophobicContact CZ-CD2 3.91Å; F27-M202 HydrophobicContact CD1-CE 3.69Å; F27-M202 HydrophobicContact CD1-SD 4.49Å; F27-M202 HydrophobicContact CE1-CE 3.36Å; F27-M202 HydrophobicContact CE1-SD 4.41Å; F27-M202 HydrophobicContact CZ-CE 4.16Å |
| 28 | I | 76.3 | Confident | 65.3 | Low | 52 Ų | 52 | 84.8 Ų | 84.8 | 27% | 0.267 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.6 | 172.7 | -59.5 | 169.4 | 0 | 0 | 0 | 107.9 | K105 R106 N187 I188 I189 | I28-K105 HydrophobicContact CG2-CB 4.45Å; I28-R106 HydrophobicContact CG1-CG 4.08Å; I28-N187 PolarHBondContact N-O 3.39Å; I28-I188 HydrophobicContact CB-CG1 4.37Å; I28-I188 HydrophobicContact CD1-CG1 4.5Å; I28-I189 PolarHBondContact O-N 3.35Å |
| 29 | L | 77.3 | Confident | 67.6 | Low | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.9 | 176.3 | -65.9 | 168.8 | 0 | 0 | 0 | 109.7 | G31 K95 K105 I107 I189 | L29-G31 PolarHBondContact O-N 2.91Å; L29-K95 HydrophobicContact CD1-CG 4.23Å; L29-K105 PolarHBondContact N-O 2.91Å; L29-K105 VanDerWaalsContact N-O 3.09Å; L29-K105 VanDerWaalsContact O-CB 3.27Å; L29-K105 WeakPolarHBondContact O-CB 3.47Å; L29-I107 HydrophobicContact CD1-CB 4.22Å; L29-I107 HydrophobicContact CD1-CD1 4.45Å; L29-I107 HydrophobicContact CD1-CG2 3.94Å; L29-I107 HydrophobicContact CD2-CG2 4.47Å; L29-I107 HydrophobicContact CG-CG2 3.96Å; L29-I189 WeakPolarHBondContact CA-O 3.26Å; L29-I189 HydrophobicContact CD2-CB 3.94Å; L29-I189 HydrophobicContact CD2-CD1 4.41Å; L29-I189 HydrophobicContact CD2-CG2 3.81Å |
| 30 | L | 71 | Confident | 69.8 | Low | 82 Ų | 82 | 81.6 Ų | 81.6 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | trans | -67.9 | -18.1 | -179.8 | -81.3 | 162.1 | 0 | 0 | 0 | 113.7 | I188 I189 D190 H191 | L30-I188 HydrophobicContact CD1-CG2 3.45Å; L30-I188 VanDerWaalsContact CD1-CG2 3.45Å; L30-I188 HydrophobicContact CG-CG2 3.77Å; L30-I189 PolarHBondContact N-O 3.43Å; L30-D190 HydrophobicContact CD1-CB 3.59Å; L30-D190 WeakPolarHBondContact CD1-OD1 3.43Å; L30-H191 PolarHBondContact N-O 3.19Å | ||
| 31 | G | 71.4 | Confident | 72.1 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | trans | 74.3 | -165.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L29 H191 K287 | L29-G31 PolarHBondContact O-N 2.91Å; G31-H191 PolarHBondContact N-O 2.69Å; G31-K287 WeakPolarHBondContact O-CE 3.47Å; G31-K287 PolarHBondContact O-NZ 2.86Å | ||
| 32 | F | 65.6 | Low | 73.8 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -88 | -37.6 | -171.7 | -146.3 | -88.5 | 0 | 0 | 0 | 113.4 | L42 F46 F192 K287 L291 | F32-L42 HydrophobicContact CB-CD1 4.19Å; F32-L42 HydrophobicContact CD1-CD1 4.33Å; F32-L42 HydrophobicContact CD1-CD2 4.26Å; F32-F46 HydrophobicContact CD2-CZ 4.33Å; F32-F46 HydrophobicContact CE2-CZ 4.5Å; F32-F192 AromaticContact CD2-CD1 3.65Å; F32-F192 HydrophobicContact CD2-CD1 3.65Å; F32-F192 AromaticContact CD2-CE1 3.7Å; F32-F192 HydrophobicContact CD2-CE1 3.7Å; F32-F192 HydrophobicContact CD2-CG 4.25Å; F32-F192 HydrophobicContact CD2-CZ 4.32Å; F32-F192 HydrophobicContact CE2-CD1 4.1Å; F32-F192 AromaticContact CE2-CE1 3.65Å; F32-F192 HydrophobicContact CE2-CE1 3.65Å; F32-F192 HydrophobicContact CE2-CZ 4.13Å; F32-K287 HydrophobicContact CE2-CB 4.02Å; F32-K287 HydrophobicContact CZ-CB 4.41Å; F32-L291 HydrophobicContact CE1-CD1 4.44Å; F32-L291 HydrophobicContact CE2-CD1 3.52Å; F32-L291 HydrophobicContact CE2-CD2 4Å; F32-L291 HydrophobicContact CE2-CG 3.74Å; F32-L291 HydrophobicContact CZ-CD1 3.39Å; F32-L291 HydrophobicContact CZ-CG 4.09Å |
| 33 | S | 68.1 | Low | 75.5 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | trans | -143.5 | 151.3 | 173.4 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | D35 Q39 | S33-D35 PolarHBondContact OG-N 3.28Å; S33-D35 VanDerWaalsContact OG-N 3.14Å; S33-Q39 PolarHBondContact O-NE2 3.15Å | ||
| 34 | A | 67.6 | Low | 76.9 | Confident | 97 Ų | 97 | 62.4 Ų | 62.4 | 80% | 0.802 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -93.4 | -9.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P36 | A34-P36 WeakPolarHBondContact O-CD 3.43Š|
| 35 | D | 74.4 | Confident | 77.9 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | trans | -77.9 | 117.5 | -177.2 | -174.2 | -21.1 | 0 | 0 | 0 | 110.8 | S33 Q37 W38 | S33-D35 PolarHBondContact OG-N 3.28Å; S33-D35 VanDerWaalsContact OG-N 3.14Å; D35-Q37 PolarHBondContact O-N 2.97Å; D35-Q37 VanDerWaalsContact O-N 3.16Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.49Å; D35-Q37 PolarHBondContact OD1-N 3.32Å; D35-W38 PolarHBondContact O-N 2.88Å | ||
| 36 | P | 75.8 | Confident | 78.7 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 67% | 0.669 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.7 | -180 | -24 | 34.6 | 0 | 0 | 0 | 114.3 | A34 P40 | A34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-P40 VanDerWaalsContact O-CD 3.31Å; P36-P40 WeakPolarHBondContact O-CD 3.29Å |
| 37 | Q | 80.9 | Confident | 79.2 | Confident | 157 Ų | 157 | 60.3 Ų | 60.3 | 73% | 0.734 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -30 | -179.3 | -62.4 | -170.1 | -8.4 | 0 | 0 | 112.6 | D35 | D35-Q37 PolarHBondContact O-N 2.97Å; D35-Q37 VanDerWaalsContact O-N 3.16Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.49Å; D35-Q37 PolarHBondContact OD1-N 3.32Å |
| 38 | W | 80.3 | Confident | 79.8 | Confident | 141 Ų | 141 | 65.8 Ų | 65.8 | 53% | 0.534 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -22.6 | -179.2 | -71.8 | 101.1 | 0 | 0 | 0 | 113.2 | D35 I41 L42 | D35-W38 PolarHBondContact O-N 2.88Å; W38-I41 HydrophobicContact CE3-CD1 3.95Å; W38-I41 HydrophobicContact CZ3-CD1 4.1Å; W38-I41 PolarHBondContact O-N 3.04Å; W38-L42 HydrophobicContact CB-CD1 4.35Å; W38-L42 WeakPolarHBondContact O-CG 3.41Å; W38-L42 PolarHBondContact O-N 3.35Å |
| 39 | Q | 81.6 | Confident | 80.4 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.3 | -45.2 | -177.1 | -62.3 | -68.2 | -0 | 0 | 0 | 114.2 | S33 I41 L42 F43 C100 | S33-Q39 PolarHBondContact O-NE2 3.15Å; Q39-I41 VanDerWaalsContact C-N 3.33Å; Q39-I41 PolarHBondContact O-N 3.12Å; Q39-L42 PolarHBondContact O-N 3.14Å; Q39-F43 WeakPolarHBondContact O-CB 3.44Å; Q39-F43 PolarHBondContact O-N 2.96Å; Q39-C100 WeakPolarHBondContact CB-O 3.28Å |
| 40 | P | 84.3 | Confident | 81 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 179 | -20.5 | 33.8 | 0 | 0 | 0 | 112.4 | P36 F43 G44 | P36-P40 VanDerWaalsContact O-CD 3.31Å; P36-P40 WeakPolarHBondContact O-CD 3.29Å; P40-F43 PolarHBondContact O-N 3.18Å; P40-G44 PolarHBondContact O-N 3.13Å |
| 41 | I | 85.4 | Confident | 82 | Confident | 103 Ų | 103 | 67.8 Ų | 67.8 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.4 | -47.9 | 178.1 | -59.7 | 173.8 | 0 | 0 | 0 | 109.7 | W38 Q39 F43 G44 M45 | W38-I41 HydrophobicContact CE3-CD1 3.95Å; W38-I41 HydrophobicContact CZ3-CD1 4.1Å; W38-I41 PolarHBondContact O-N 3.04Å; Q39-I41 VanDerWaalsContact C-N 3.33Å; Q39-I41 PolarHBondContact O-N 3.12Å; I41-F43 VanDerWaalsContact C-N 3.34Å; I41-F43 PolarHBondContact O-N 2.98Å; I41-G44 PolarHBondContact O-N 2.89Å; I41-M45 WeakPolarHBondContact O-CB 3.34Å; I41-M45 PolarHBondContact O-N 3.15Å |
| 42 | L | 83.4 | Confident | 82.9 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 11% | 0.105 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.7 | -69.2 | 171.5 | 0 | 0 | 0 | 111.5 | F32 W38 Q39 M45 F46 | F32-L42 HydrophobicContact CB-CD1 4.19Å; F32-L42 HydrophobicContact CD1-CD1 4.33Å; F32-L42 HydrophobicContact CD1-CD2 4.26Å; W38-L42 HydrophobicContact CB-CD1 4.35Å; W38-L42 WeakPolarHBondContact O-CG 3.41Å; W38-L42 PolarHBondContact O-N 3.35Å; Q39-L42 PolarHBondContact O-N 3.14Å; L42-M45 HydrophobicContact CD2-CE 3.75Å; L42-M45 PolarHBondContact O-N 2.9Å; L42-F46 HydrophobicContact CB-CD2 4.33Å; L42-F46 HydrophobicContact CB-CE2 4.25Å; L42-F46 HydrophobicContact CD2-CE2 4.29Å; L42-F46 WeakPolarHBondContact O-CB 3.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.44Å; L42-F46 PolarHBondContact O-N 3.37Å |
| 43 | F | 87.8 | Confident | 84 | Confident | 62 Ų | 62 | 69 Ų | 69 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.4 | -53 | 174.2 | -179.8 | -94.1 | 0 | 0 | 0 | 111.7 | Q39 P40 I41 M45 F46 L47 L97 C100 V101 | Q39-F43 WeakPolarHBondContact O-CB 3.44Å; Q39-F43 PolarHBondContact O-N 2.96Å; P40-F43 PolarHBondContact O-N 3.18Å; I41-F43 VanDerWaalsContact C-N 3.34Å; I41-F43 PolarHBondContact O-N 2.98Å; F43-M45 VanDerWaalsContact C-N 3.32Å; F43-M45 PolarHBondContact O-N 3.1Å; F43-F46 PolarHBondContact O-N 3.31Å; F43-L47 HydrophobicContact CE1-CD2 3.9Å; F43-L47 HydrophobicContact CZ-CD2 4.34Å; F43-L47 WeakPolarHBondContact O-CB 3.42Å; F43-L47 PolarHBondContact O-N 3.38Å; F43-L97 HydrophobicContact CD2-CB 4.18Å; F43-L97 HydrophobicContact CD2-CD2 3.69Å; F43-L97 HydrophobicContact CE2-CB 3.96Å; F43-L97 HydrophobicContact CE2-CD2 3.89Å; F43-L97 HydrophobicContact CE2-CG 4.47Å; F43-L97 HydrophobicContact CG-CD2 4.27Å; F43-L97 WeakPolarHBondContact O-CD2 3.29Å; F43-C100 HydrophobicContact CB-CB 3.73Å; F43-C100 HydrophobicContact CD2-CB 4.04Å; F43-C100 HydrophobicContact CG-CB 4.39Å; F43-V101 HydrophobicContact CD2-CG1 3.45Å; F43-V101 VanDerWaalsContact CD2-CG1 3.45Å; F43-V101 HydrophobicContact CE2-CG1 3.61Å; F43-V101 HydrophobicContact CG-CG1 3.98Å; F43-V101 HydrophobicContact CZ-CG1 4.29Å |
| 44 | G | 87.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P40 I41 L47 M48 | P40-G44 PolarHBondContact O-N 3.13Å; I41-G44 PolarHBondContact O-N 2.89Å; G44-L47 PolarHBondContact O-N 3.47Å; G44-M48 WeakPolarHBondContact O-CB 3.29Å; G44-M48 VanDerWaalsContact O-CG 3.3Å; G44-M48 WeakPolarHBondContact O-CG 3.39Å; G44-M48 PolarHBondContact O-N 3.17Å |
| 45 | M | 87.8 | Confident | 86.2 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -52.5 | 176.9 | -178.3 | -173.7 | 67.8 | 0 | 0 | 112.1 | I41 L42 F43 L47 M48 L49 | I41-M45 WeakPolarHBondContact O-CB 3.34Å; I41-M45 PolarHBondContact O-N 3.15Å; L42-M45 HydrophobicContact CD2-CE 3.75Å; L42-M45 PolarHBondContact O-N 2.9Å; F43-M45 VanDerWaalsContact C-N 3.32Å; F43-M45 PolarHBondContact O-N 3.1Å; M45-L47 VanDerWaalsContact C-N 3.29Å; M45-L47 PolarHBondContact O-N 2.91Å; M45-M48 PolarHBondContact O-N 3.05Å; M45-L49 HydrophobicContact CG-CD1 4.06Å; M45-L49 VanDerWaalsContact O-CG 3.29Å; M45-L49 WeakPolarHBondContact O-CG 3.48Å; M45-L49 PolarHBondContact O-N 2.72Å |
| 46 | F | 87.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 179.8 | -74.3 | -55.5 | 0 | 0 | 0 | 112.4 | F32 L42 F43 Y50 I96 L97 L291 | F32-F46 HydrophobicContact CD2-CZ 4.33Å; F32-F46 HydrophobicContact CE2-CZ 4.5Å; L42-F46 HydrophobicContact CB-CD2 4.33Å; L42-F46 HydrophobicContact CB-CE2 4.25Å; L42-F46 HydrophobicContact CD2-CE2 4.29Å; L42-F46 WeakPolarHBondContact O-CB 3.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.44Å; L42-F46 PolarHBondContact O-N 3.37Å; F43-F46 PolarHBondContact O-N 3.31Å; F46-Y50 VanDerWaalsContact O-CB 3.27Å; F46-Y50 WeakPolarHBondContact O-CB 3.48Å; F46-Y50 PolarHBondContact O-N 3.1Å; F46-I96 HydrophobicContact CD1-CG2 4.34Å; F46-I96 HydrophobicContact CD2-CG2 3.58Å; F46-I96 HydrophobicContact CE2-CG2 3.77Å; F46-I96 HydrophobicContact CG-CG2 3.91Å; F46-I96 HydrophobicContact CZ-CG2 4.26Å; F46-L97 HydrophobicContact CB-CD2 3.7Å; F46-L97 HydrophobicContact CB-CG 4.43Å; F46-L291 HydrophobicContact CE1-CD1 4.38Å; F46-L291 HydrophobicContact CE1-CD2 3.48Å; F46-L291 VanDerWaalsContact CE1-CD2 3.48Å; F46-L291 HydrophobicContact CZ-CD1 4.27Å; F46-L291 HydrophobicContact CZ-CD2 3.72Å |
| 47 | L | 90.9 | Very high | 87.7 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 177.8 | 178.7 | 63 | 0 | 0 | 0 | 110.5 | F43 G44 M45 Y50 L51 L97 | F43-L47 HydrophobicContact CE1-CD2 3.9Å; F43-L47 HydrophobicContact CZ-CD2 4.34Å; F43-L47 WeakPolarHBondContact O-CB 3.42Å; F43-L47 PolarHBondContact O-N 3.38Å; G44-L47 PolarHBondContact O-N 3.47Å; M45-L47 VanDerWaalsContact C-N 3.29Å; M45-L47 PolarHBondContact O-N 2.91Å; L47-Y50 WeakPolarHBondContact O-CB 3.01Å; L47-Y50 PolarHBondContact O-N 3.34Å; L47-L51 HydrophobicContact CD1-CD1 4.24Å; L47-L51 HydrophobicContact CD1-CG 4.29Å; L47-L51 HydrophobicContact CG-CD1 4.18Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 2.96Å; L47-L97 HydrophobicContact CB-CD2 3.94Å; L47-L97 HydrophobicContact CD1-CD1 4.1Å |
| 48 | M | 90.4 | Very high | 88.3 | Confident | 115 Ų | 115 | 57 Ų | 57 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.2 | -47.3 | 175.9 | -74.9 | -61.1 | -63.3 | 0 | 0 | 111.5 | G44 M45 Y50 L51 I52 | G44-M48 WeakPolarHBondContact O-CB 3.29Å; G44-M48 VanDerWaalsContact O-CG 3.3Å; G44-M48 WeakPolarHBondContact O-CG 3.39Å; G44-M48 PolarHBondContact O-N 3.17Å; M45-M48 PolarHBondContact O-N 3.05Å; M48-Y50 VanDerWaalsContact C-N 3.3Å; M48-Y50 PolarHBondContact O-N 3.13Å; M48-L51 PolarHBondContact O-N 2.84Å; M48-I52 WeakPolarHBondContact O-CB 3.08Å; M48-I52 WeakPolarHBondContact O-CD1 3.39Å; M48-I52 WeakPolarHBondContact O-CG1 3.49Å; M48-I52 PolarHBondContact O-N 3.23Å |
| 49 | L | 88.7 | Confident | 88.8 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 176.2 | -68.1 | 171.1 | 0 | 0 | 0 | 111.3 | M45 I52 T53 V295 L299 | M45-L49 HydrophobicContact CG-CD1 4.06Å; M45-L49 VanDerWaalsContact O-CG 3.29Å; M45-L49 WeakPolarHBondContact O-CG 3.48Å; M45-L49 PolarHBondContact O-N 2.72Å; L49-I52 PolarHBondContact O-N 3.47Å; L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 3.31Å; L49-T53 PolarHBondContact O-OG1 3.48Å; L49-V295 HydrophobicContact CB-CG1 3.99Å; L49-V295 HydrophobicContact CD1-CG1 3.85Å; L49-V295 HydrophobicContact CG-CG1 4.43Å; L49-L299 HydrophobicContact CD2-CD2 3.94Å |
| 50 | Y | 90 | Very high | 89.2 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.4 | -53.2 | 176.4 | -176.6 | -130.8 | 0 | 0 | 0 | 111.9 | F46 L47 M48 I52 T53 L54 T89 S90 T93 L97 | F46-Y50 VanDerWaalsContact O-CB 3.27Å; F46-Y50 WeakPolarHBondContact O-CB 3.48Å; F46-Y50 PolarHBondContact O-N 3.1Å; L47-Y50 WeakPolarHBondContact O-CB 3.01Å; L47-Y50 PolarHBondContact O-N 3.34Å; M48-Y50 VanDerWaalsContact C-N 3.3Å; M48-Y50 PolarHBondContact O-N 3.13Å; Y50-I52 VanDerWaalsContact C-N 3.34Å; Y50-I52 PolarHBondContact O-N 3.08Å; Y50-T53 PolarHBondContact O-N 3.18Å; Y50-L54 HydrophobicContact CD2-CD1 4.48Å; Y50-L54 HydrophobicContact CE1-CD1 4.45Å; Y50-L54 HydrophobicContact CE2-CD1 3.69Å; Y50-L54 VanDerWaalsContact O-CB 3.28Å; Y50-L54 WeakPolarHBondContact O-CB 3.49Å; Y50-L54 PolarHBondContact O-N 2.89Å; Y50-T89 HydrophobicContact CD2-CG2 3.63Å; Y50-T89 HydrophobicContact CE2-CG2 4.13Å; Y50-S90 PolarHBondContact OH-OG 3.33Å; Y50-T93 HydrophobicContact CD2-CG2 3.97Å; Y50-T93 HydrophobicContact CG-CG2 3.9Å; Y50-L97 HydrophobicContact CD1-CD1 4.46Å |
| 51 | L | 92.4 | Very high | 89.6 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 45% | 0.45 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | -177.1 | -67.6 | 174.5 | 0 | 0 | 0 | 112.1 | L47 M48 S55 | L47-L51 HydrophobicContact CD1-CD1 4.24Å; L47-L51 HydrophobicContact CD1-CG 4.29Å; L47-L51 HydrophobicContact CG-CD1 4.18Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 2.96Å; M48-L51 PolarHBondContact O-N 2.84Å; L51-S55 VanDerWaalsContact O-CB 3.27Å; L51-S55 WeakPolarHBondContact O-CB 3.46Å; L51-S55 PolarHBondContact O-N 2.98Å; L51-S55 PolarHBondContact O-OG 3.17Å |
| 52 | I | 89.8 | Confident | 89.8 | Confident | 85 Ų | 85 | 48 Ų | 48 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 176.1 | -66 | 165.6 | 0 | 0 | 0 | 110.2 | M48 L49 Y50 L54 S55 G56 L299 | M48-I52 WeakPolarHBondContact O-CB 3.08Å; M48-I52 WeakPolarHBondContact O-CD1 3.39Å; M48-I52 WeakPolarHBondContact O-CG1 3.49Å; M48-I52 PolarHBondContact O-N 3.23Å; L49-I52 PolarHBondContact O-N 3.47Å; Y50-I52 VanDerWaalsContact C-N 3.34Å; Y50-I52 PolarHBondContact O-N 3.08Å; I52-L54 PolarHBondContact O-N 2.93Å; I52-S55 PolarHBondContact O-OG 2.96Å; I52-S55 VanDerWaalsContact O-OG 3.12Å; I52-G56 PolarHBondContact O-N 3.4Å; I52-L299 HydrophobicContact CB-CD1 4.19Å; I52-L299 HydrophobicContact CG2-CD1 3.55Å |
| 53 | T | 89.4 | Confident | 90.1 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 178.5 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | L49 Y50 N57 T89 P298 L299 | L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 3.31Å; L49-T53 PolarHBondContact O-OG1 3.48Å; Y50-T53 PolarHBondContact O-N 3.18Å; T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 3.29Å; T53-N57 VanDerWaalsContact O-N 3.08Å; T53-N57 PolarHBondContact O-ND2 3.13Å; T53-T89 HydrophobicContact CG2-CG2 4.3Å; T53-T89 WeakPolarHBondContact CG2-OG1 3.49Å; T53-P298 HydrophobicContact CG2-CB 3.79Å; T53-L299 WeakPolarHBondContact OG1-CD1 3.5Å |
| 54 | L | 91.2 | Very high | 90.1 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.6 | -54 | 179.8 | -156 | 96.7 | 0 | 0 | 0 | 110.8 | Y50 I52 M58 F86 | Y50-L54 HydrophobicContact CD2-CD1 4.48Å; Y50-L54 HydrophobicContact CE1-CD1 4.45Å; Y50-L54 HydrophobicContact CE2-CD1 3.69Å; Y50-L54 VanDerWaalsContact O-CB 3.28Å; Y50-L54 WeakPolarHBondContact O-CB 3.49Å; Y50-L54 PolarHBondContact O-N 2.89Å; I52-L54 PolarHBondContact O-N 2.93Å; L54-M58 VanDerWaalsContact O-CB 3.27Å; L54-M58 WeakPolarHBondContact O-CB 3.25Å; L54-M58 WeakPolarHBondContact O-CG 3.3Å; L54-M58 PolarHBondContact O-N 2.91Å; L54-F86 HydrophobicContact CD1-CD2 3.31Å; L54-F86 HydrophobicContact CD1-CE2 3.18Å; L54-F86 HydrophobicContact CD1-CG 4.46Å; L54-F86 HydrophobicContact CD1-CZ 4.24Å; L54-F86 HydrophobicContact CD2-CE2 4.2Å; L54-F86 HydrophobicContact CG-CD2 3.61Å; L54-F86 HydrophobicContact CG-CE2 3.55Å |
| 55 | S | 90.6 | Very high | 90.2 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | -178.2 | 58.3 | 0 | 0 | 0 | 0 | 112 | L51 I52 T59 | L51-S55 VanDerWaalsContact O-CB 3.27Å; L51-S55 WeakPolarHBondContact O-CB 3.46Å; L51-S55 PolarHBondContact O-N 2.98Å; L51-S55 PolarHBondContact O-OG 3.17Å; I52-S55 PolarHBondContact O-OG 2.96Å; I52-S55 VanDerWaalsContact O-OG 3.12Å; S55-T59 WeakPolarHBondContact O-CB 3.41Å; S55-T59 PolarHBondContact O-N 3.41Å; S55-T59 PolarHBondContact O-OG1 3.43Å |
| 56 | G | 90.2 | Very high | 90.2 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I52 L60 | I52-G56 PolarHBondContact O-N 3.4Å; G56-L60 PolarHBondContact O-N 2.89Å; G56-L60 VanDerWaalsContact O-N 3.1Å |
| 57 | N | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 179.7 | -79.6 | -62.6 | 0 | 0 | 0 | 112.4 | T53 T59 L60 V61 S82 F86 P298 P302 | T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 3.29Å; T53-N57 VanDerWaalsContact O-N 3.08Å; T53-N57 PolarHBondContact O-ND2 3.13Å; N57-T59 VanDerWaalsContact C-N 3.35Å; N57-T59 PolarHBondContact O-N 3.29Å; N57-L60 PolarHBondContact O-N 3.45Å; N57-V61 WeakPolarHBondContact O-CG2 3.06Å; N57-V61 PolarHBondContact O-N 3.32Å; N57-S82 WeakPolarHBondContact CB-O 3.41Å; N57-S82 WeakPolarHBondContact OD1-CA 3.35Å; N57-S82 WeakPolarHBondContact OD1-CB 3.34Å; N57-S82 PolarHBondContact OD1-OG 2.89Å; N57-F86 HydrophobicContact CB-CB 4.43Å; N57-P298 PolarHBondContact ND2-O 3.48Å; N57-P302 WeakPolarHBondContact OD1-CD 3.44Å |
| 58 | M | 92.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 177.3 | -68.5 | -60 | -74.1 | 0 | 0 | 112.2 | L54 L60 V61 V62 F86 | L54-M58 VanDerWaalsContact O-CB 3.27Å; L54-M58 WeakPolarHBondContact O-CB 3.25Å; L54-M58 WeakPolarHBondContact O-CG 3.3Å; L54-M58 PolarHBondContact O-N 2.91Å; M58-L60 VanDerWaalsContact C-N 3.32Å; M58-L60 PolarHBondContact O-N 3.48Å; M58-V61 PolarHBondContact O-N 3.07Å; M58-V62 WeakPolarHBondContact O-CB 3.43Å; M58-V62 VanDerWaalsContact O-CG2 3.29Å; M58-V62 WeakPolarHBondContact O-CG2 3.29Å; M58-V62 PolarHBondContact O-N 2.87Å; M58-F86 HydrophobicContact CG-CD2 3.67Å; M58-F86 HydrophobicContact CG-CE2 4.05Å; M58-F86 HydrophobicContact CG-CG 4.35Å; M58-F86 HydrophobicContact SD-CB 4.41Å; M58-F86 HydrophobicContact SD-CD1 4.43Å; M58-F86 HydrophobicContact SD-CD2 3.79Å; M58-F86 HydrophobicContact SD-CE2 4.13Å; M58-F86 HydrophobicContact SD-CG 3.96Å |
| 59 | T | 90.9 | Very high | 89.5 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 172.6 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | S55 N57 V62 L63 F316 | S55-T59 WeakPolarHBondContact O-CB 3.41Å; S55-T59 PolarHBondContact O-N 3.41Å; S55-T59 PolarHBondContact O-OG1 3.43Å; N57-T59 VanDerWaalsContact C-N 3.35Å; N57-T59 PolarHBondContact O-N 3.29Å; T59-V62 PolarHBondContact O-N 2.94Å; T59-L63 HydrophobicContact CG2-CD1 4.14Å; T59-L63 HydrophobicContact CG2-CG 4.3Å; T59-L63 WeakPolarHBondContact O-CB 3.38Å; T59-L63 VanDerWaalsContact O-CG 3.3Å; T59-L63 WeakPolarHBondContact O-CG 3.36Å; T59-L63 PolarHBondContact O-N 3.49Å; T59-F316 HydrophobicContact CG2-CD2 4.21Å; T59-F316 HydrophobicContact CG2-CE2 4.15Å |
| 60 | L | 90.4 | Very high | 89.3 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 178.7 | -174.5 | 51.3 | 0 | 0 | 0 | 111.8 | G56 N57 M58 V62 L63 I64 I78 S82 P302 I312 | G56-L60 PolarHBondContact O-N 2.89Å; G56-L60 VanDerWaalsContact O-N 3.1Å; N57-L60 PolarHBondContact O-N 3.45Å; M58-L60 VanDerWaalsContact C-N 3.32Å; M58-L60 PolarHBondContact O-N 3.48Å; L60-V62 PolarHBondContact O-N 3.37Å; L60-L63 PolarHBondContact O-N 3.36Å; L60-I64 HydrophobicContact CD1-CD1 3.92Å; L60-I64 HydrophobicContact CD1-CG1 4.31Å; L60-I64 HydrophobicContact CG-CD1 3.95Å; L60-I64 WeakPolarHBondContact O-CD1 3.38Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.42Å; L60-I64 PolarHBondContact O-N 3.06Å; L60-I78 HydrophobicContact CD2-CG2 3.75Å; L60-I78 HydrophobicContact CG-CG2 4.23Å; L60-S82 WeakPolarHBondContact CD2-OG 3.44Å; L60-P302 HydrophobicContact CD2-CB 4.29Å; L60-I312 HydrophobicContact CD1-CD1 3.91Å; L60-I312 HydrophobicContact CD1-CG1 4.28Å; L60-I312 HydrophobicContact CD1-CG2 4.03Å |
| 61 | V | 92.2 | Very high | 89 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 111 | N57 M58 I64 R65 G79 F83 | N57-V61 WeakPolarHBondContact O-CG2 3.06Å; N57-V61 PolarHBondContact O-N 3.32Å; M58-V61 PolarHBondContact O-N 3.07Å; V61-I64 PolarHBondContact O-N 2.93Å; V61-R65 WeakPolarHBondContact O-CG 3.34Å; V61-R65 PolarHBondContact O-N 2.91Å; V61-R65 VanDerWaalsContact O-N 3.12Å; V61-G79 WeakPolarHBondContact CG2-O 3.37Å; V61-F83 HydrophobicContact CG2-CB 4.39Å |
| 62 | V | 90.8 | Very high | 88.8 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | -179.5 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | M58 T59 L60 I64 R65 I66 | M58-V62 WeakPolarHBondContact O-CB 3.43Å; M58-V62 VanDerWaalsContact O-CG2 3.29Å; M58-V62 WeakPolarHBondContact O-CG2 3.29Å; M58-V62 PolarHBondContact O-N 2.87Å; T59-V62 PolarHBondContact O-N 2.94Å; L60-V62 PolarHBondContact O-N 3.37Å; V62-I64 VanDerWaalsContact C-N 3.32Å; V62-I64 PolarHBondContact O-N 3.37Å; V62-R65 WeakPolarHBondContact O-CB 3.48Å; V62-R65 PolarHBondContact O-N 3.1Å; V62-I66 HydrophobicContact CG1-CD1 4.26Å; V62-I66 HydrophobicContact CG1-CG2 4.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 WeakPolarHBondContact O-CG2 3.17Å; V62-I66 PolarHBondContact O-N 3.06Å |
| 63 | L | 88.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.2 | -46 | 177.8 | -75.2 | 176.4 | 0 | 0 | 0 | 112.2 | T59 L60 R65 I66 D67 L70 I312 A315 F316 A319 | T59-L63 HydrophobicContact CG2-CD1 4.14Å; T59-L63 HydrophobicContact CG2-CG 4.3Å; T59-L63 WeakPolarHBondContact O-CB 3.38Å; T59-L63 VanDerWaalsContact O-CG 3.3Å; T59-L63 WeakPolarHBondContact O-CG 3.36Å; T59-L63 PolarHBondContact O-N 3.49Å; L60-L63 PolarHBondContact O-N 3.36Å; L63-R65 PolarHBondContact O-N 2.81Å; L63-I66 HydrophobicContact CD2-CD1 4.44Å; L63-I66 PolarHBondContact O-N 2.86Å; L63-D67 PolarHBondContact O-N 3.27Å; L63-L70 HydrophobicContact CB-CD1 4.26Å; L63-I312 HydrophobicContact CD1-CG2 4.44Å; L63-A315 HydrophobicContact CD2-CB 4.4Å; L63-F316 HydrophobicContact CD1-CB 4.04Å; L63-F316 HydrophobicContact CD1-CD2 4.1Å; L63-A319 HydrophobicContact CD2-CB 3.78Å |
| 64 | I | 89 | Confident | 88.9 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -33.3 | 178.8 | -67.9 | 161.1 | 0 | 0 | 0 | 110.9 | L60 V61 V62 L70 H71 Y75 I78 | L60-I64 HydrophobicContact CD1-CD1 3.92Å; L60-I64 HydrophobicContact CD1-CG1 4.31Å; L60-I64 HydrophobicContact CG-CD1 3.95Å; L60-I64 WeakPolarHBondContact O-CD1 3.38Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.42Å; L60-I64 PolarHBondContact O-N 3.06Å; V61-I64 PolarHBondContact O-N 2.93Å; V62-I64 VanDerWaalsContact C-N 3.32Å; V62-I64 PolarHBondContact O-N 3.37Å; I64-L70 HydrophobicContact CG1-CB 4.49Å; I64-L70 HydrophobicContact CG1-CD1 4.23Å; I64-H71 PolarHBondContact O-CD2 2.69Å; I64-H71 PolarHBondContact O-NE2 2.64Å; I64-H71 VanDerWaalsContact O-NE2 3.14Å; I64-Y75 WeakPolarHBondContact CD1-O 3.39Å; I64-I78 HydrophobicContact CD1-CB 4.4Å; I64-I78 HydrophobicContact CD1-CG2 4.11Å |
| 65 | R | 89 | Confident | 88.8 | Confident | 185 Ų | 185 | 53.6 Ų | 53.6 | 70% | 0.698 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -73.4 | -41.3 | 177.3 | -66.9 | -62.3 | -171.8 | 118.5 | 1.8 | 112.6 | V61 V62 L63 H71 | V61-R65 WeakPolarHBondContact O-CG 3.34Å; V61-R65 PolarHBondContact O-N 2.91Å; V61-R65 VanDerWaalsContact O-N 3.12Å; V62-R65 WeakPolarHBondContact O-CB 3.48Å; V62-R65 PolarHBondContact O-N 3.1Å; L63-R65 PolarHBondContact O-N 2.81Å; R65-H71 PolarHBondContact O-NE2 3.16Å; R65-H71 VanDerWaalsContact O-NE2 3.15Å |
| 66 | I | 87.9 | Confident | 88.9 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 56% | 0.559 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -88.3 | -28.5 | -171.3 | 68.8 | 179.3 | 0 | 0 | 0 | 114.2 | V62 L63 A319 | V62-I66 HydrophobicContact CG1-CD1 4.26Å; V62-I66 HydrophobicContact CG1-CG2 4.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 WeakPolarHBondContact O-CG2 3.17Å; V62-I66 PolarHBondContact O-N 3.06Å; L63-I66 HydrophobicContact CD2-CD1 4.44Å; L63-I66 PolarHBondContact O-N 2.86Å; I66-A319 HydrophobicContact CD1-CB 4.3Å |
| 67 | D | 86 | Confident | 89.1 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | trans | -97.1 | 112.2 | 179.9 | -164.9 | -30.2 | 0 | 0 | 0 | 110.8 | L63 H69 L70 H71 A315 | L63-D67 PolarHBondContact O-N 3.27Å; D67-H69 PolarHBondContact O-N 3.46Å; D67-H69 VanDerWaalsContact OD1-CB 3.29Å; D67-H69 WeakPolarHBondContact OD1-CB 3.39Å; D67-H69 IonicContact OD1-CE1 3.95Å; D67-H69 IonicContact OD1-CG 3.78Å; D67-H69 PolarHBondContact OD1-N 2.85Å; D67-H69 IonicContact OD1-ND1 2.76Å; D67-H69 PolarHBondContact OD1-ND1 3.12Å; D67-L70 HydrophobicContact CB-CD1 4.21Å; D67-L70 HydrophobicContact CB-CG 4.21Å; D67-L70 WeakPolarHBondContact O-CB 2.94Å; D67-L70 PolarHBondContact O-N 3.34Å; D67-H71 PolarHBondContact O-CD2 3.01Å; D67-A315 HydrophobicContact CB-CB 4.03Å; D67-A315 WeakPolarHBondContact OD2-CA 3.39Å; D67-A315 VanDerWaalsContact OD2-CB 3.29Å; D67-A315 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 68 | S | 84.3 | Confident | 89.1 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 59% | 0.587 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.4 | 178.6 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | L70 H71 | S68-L70 PolarHBondContact O-N 3.2Å; S68-H71 WeakPolarHBondContact O-CB 3.4Å; S68-H71 PolarHBondContact O-N 3.27Å; S68-H71 VanDerWaalsContact O-N 3.13Å |
| 69 | H | 83.9 | Confident | 89.2 | Confident | 125 Ų | 125 | 49.9 Ų | 49.9 | 58% | 0.579 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -68.3 | -20.2 | 175.1 | -57.7 | 82.1 | 0 | 0 | 0 | 111.9 | D67 | D67-H69 PolarHBondContact O-N 3.46Å; D67-H69 VanDerWaalsContact OD1-CB 3.29Å; D67-H69 WeakPolarHBondContact OD1-CB 3.39Å; D67-H69 IonicContact OD1-CE1 3.95Å; D67-H69 IonicContact OD1-CG 3.78Å; D67-H69 PolarHBondContact OD1-N 2.85Å; D67-H69 IonicContact OD1-ND1 2.76Å; D67-H69 PolarHBondContact OD1-ND1 3.12Å |
| 70 | L | 83.9 | Confident | 89.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -92.5 | 4 | 175.2 | -59.6 | -179.8 | 0 | 0 | 0 | 112.5 | L63 I64 D67 S68 M72 Y75 D311 I312 A315 | L63-L70 HydrophobicContact CB-CD1 4.26Å; I64-L70 HydrophobicContact CG1-CB 4.49Å; I64-L70 HydrophobicContact CG1-CD1 4.23Å; D67-L70 HydrophobicContact CB-CD1 4.21Å; D67-L70 HydrophobicContact CB-CG 4.21Å; D67-L70 WeakPolarHBondContact O-CB 2.94Å; D67-L70 PolarHBondContact O-N 3.34Å; S68-L70 PolarHBondContact O-N 3.2Å; L70-M72 PolarHBondContact O-N 2.85Å; L70-Y75 HydrophobicContact CB-CD2 4.11Å; L70-Y75 HydrophobicContact CB-CG 4.27Å; L70-Y75 HydrophobicContact CD2-CD1 4.21Å; L70-Y75 HydrophobicContact CD2-CD2 3.86Å; L70-Y75 HydrophobicContact CD2-CE1 4.03Å; L70-Y75 HydrophobicContact CD2-CE2 3.66Å; L70-Y75 HydrophobicContact CD2-CG 4.16Å; L70-Y75 WeakPolarHBondContact O-CB 3.25Å; L70-Y75 WeakPolarHBondContact O-CD2 3.05Å; L70-D311 HydrophobicContact CD2-CB 3.87Å; L70-I312 HydrophobicContact CD2-CG1 4.18Å; L70-A315 HydrophobicContact CD1-CB 3.67Å; L70-A315 HydrophobicContact CG-CB 4.28Å |
| 71 | H | 85.1 | Confident | 89.6 | Confident | 117 Ų | 117 | 48 Ų | 48 | 54% | 0.542 | 24% | 0.241 | S | C | . | . | trans | -79.8 | 42 | 177.9 | -66 | -179.1 | 0 | 0 | 0 | 112.8 | I64 R65 D67 S68 | I64-H71 PolarHBondContact O-CD2 2.69Å; I64-H71 PolarHBondContact O-NE2 2.64Å; I64-H71 VanDerWaalsContact O-NE2 3.14Å; R65-H71 PolarHBondContact O-NE2 3.16Å; R65-H71 VanDerWaalsContact O-NE2 3.15Å; D67-H71 PolarHBondContact O-CD2 3.01Å; S68-H71 WeakPolarHBondContact O-CB 3.4Å; S68-H71 PolarHBondContact O-N 3.27Å; S68-H71 VanDerWaalsContact O-N 3.13Å | ||
| 72 | M | 86.7 | Confident | 89.6 | Confident | 91 Ų | 91 | 47 Ų | 47 | 45% | 0.448 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -96.8 | 151.3 | 173.8 | -62.5 | -67.1 | -65.7 | 0 | 0 | 110.5 | L70 M74 Y75 F76 Y147 | L70-M72 PolarHBondContact O-N 2.85Å; M72-M74 VanDerWaalsContact C-N 3.33Å; M72-M74 PolarHBondContact O-N 3.46Å; M72-Y75 HydrophobicContact CB-CD2 3.86Å; M72-Y75 HydrophobicContact CB-CE2 4.43Å; M72-Y75 HydrophobicContact CG-CD2 4.31Å; M72-Y75 PolarHBondContact O-N 3Å; M72-F76 PolarHBondContact O-N 3.35Å; M72-Y147 HydrophobicContact CE-CE1 4.13Å |
| 73 | P | 90.1 | Very high | 89.8 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -47 | -48.4 | 179 | -34.2 | 38.8 | 0 | 0 | 0 | 114.7 | Y75 F76 F77 D136 M151 | P73-Y75 VanDerWaalsContact C-N 3.34Å; P73-Y75 PolarHBondContact O-N 3.38Å; P73-F76 WeakPolarHBondContact O-CB 3.47Å; P73-F76 PolarHBondContact O-N 3.46Å; P73-F76 VanDerWaalsContact O-N 3.16Å; P73-F77 WeakPolarHBondContact O-CD2 3.35Å; P73-F77 PolarHBondContact O-N 3.37Å; P73-F77 VanDerWaalsContact O-N 3.12Å; P73-D136 WeakPolarHBondContact CB-OD1 3.38Å; P73-M151 HydrophobicContact CB-CB 4.25Å; P73-M151 HydrophobicContact CG-CB 3.89Å |
| 74 | M | 91 | Very high | 90 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.8 | -46 | 177.8 | -177.1 | 69.4 | -173.1 | 0 | 0 | 112.9 | M72 F76 F77 I78 M133 R137 H259 Y305 | M72-M74 VanDerWaalsContact C-N 3.33Å; M72-M74 PolarHBondContact O-N 3.46Å; M74-F76 VanDerWaalsContact C-N 3.32Å; M74-F77 PolarHBondContact O-N 3.08Å; M74-I78 HydrophobicContact CE-CD1 3.95Å; M74-I78 HydrophobicContact CE-CG1 4.15Å; M74-I78 HydrophobicContact CG-CD1 3.96Å; M74-I78 WeakPolarHBondContact O-CG1 3.45Å; M74-I78 PolarHBondContact O-N 3.11Å; M74-M133 HydrophobicContact CE-CE 3.34Å; M74-M133 HydrophobicContact SD-CE 4.22Å; M74-R137 PolarHBondContact SD-NE 3.4Å; M74-R137 VanDerWaalsContact SD-NE 3.42Å; M74-H259 HydrophobicContact CE-CB 4.31Å; M74-Y305 HydrophobicContact CE-CE1 3.96Å |
| 75 | Y | 90.6 | Very high | 90.1 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.7 | -31.7 | -179 | -68 | -55.1 | 0 | 0 | 0 | 111.5 | I64 L70 M72 P73 F77 I78 G79 N309 D311 I312 | I64-Y75 WeakPolarHBondContact CD1-O 3.39Å; L70-Y75 HydrophobicContact CB-CD2 4.11Å; L70-Y75 HydrophobicContact CB-CG 4.27Å; L70-Y75 HydrophobicContact CD2-CD1 4.21Å; L70-Y75 HydrophobicContact CD2-CD2 3.86Å; L70-Y75 HydrophobicContact CD2-CE1 4.03Å; L70-Y75 HydrophobicContact CD2-CE2 3.66Å; L70-Y75 HydrophobicContact CD2-CG 4.16Å; L70-Y75 WeakPolarHBondContact O-CB 3.25Å; L70-Y75 WeakPolarHBondContact O-CD2 3.05Å; M72-Y75 HydrophobicContact CB-CD2 3.86Å; M72-Y75 HydrophobicContact CB-CE2 4.43Å; M72-Y75 HydrophobicContact CG-CD2 4.31Å; M72-Y75 PolarHBondContact O-N 3Å; P73-Y75 VanDerWaalsContact C-N 3.34Å; P73-Y75 PolarHBondContact O-N 3.38Å; Y75-F77 VanDerWaalsContact C-N 3.33Å; Y75-F77 PolarHBondContact O-N 2.92Å; Y75-I78 HydrophobicContact CD1-CD1 3.92Å; Y75-I78 HydrophobicContact CE1-CD1 4.37Å; Y75-I78 PolarHBondContact O-N 3.48Å; Y75-G79 PolarHBondContact O-N 3.4Å; Y75-N309 WeakPolarHBondContact CE1-ND2 3.43Å; Y75-N309 PolarHBondContact OH-ND2 3.23Å; Y75-N309 PolarHBondContact OH-OD1 2.9Å; Y75-N309 VanDerWaalsContact OH-OD1 3.1Å; Y75-D311 WeakPolarHBondContact OH-CB 3.26Å; Y75-D311 PolarHBondContact OH-OD2 3.1Å; Y75-I312 HydrophobicContact CD1-CD1 4.21Å; Y75-I312 HydrophobicContact CD1-CG1 4.45Å; Y75-I312 HydrophobicContact CE1-CD1 3.8Å; Y75-I312 HydrophobicContact CE1-CG1 3.94Å |
| 76 | F | 92.6 | Very high | 90.2 | Very high | 69 Ų | 69 | 40 Ų | 40 | 30% | 0.303 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 170.9 | 179.9 | -112 | 0 | 0 | 0 | 112 | M72 P73 M74 G79 N80 C156 V160 | M72-F76 PolarHBondContact O-N 3.35Å; P73-F76 WeakPolarHBondContact O-CB 3.47Å; P73-F76 PolarHBondContact O-N 3.46Å; P73-F76 VanDerWaalsContact O-N 3.16Å; M74-F76 VanDerWaalsContact C-N 3.32Å; F76-G79 PolarHBondContact O-N 3.46Å; F76-N80 PolarHBondContact O-N 3.21Å; F76-N80 PolarHBondContact O-ND2 3.47Å; F76-C156 HydrophobicContact CD1-CB 3.99Å; F76-C156 HydrophobicContact CE1-CB 4.27Å; F76-V160 HydrophobicContact CD1-CG2 3.95Å; F76-V160 HydrophobicContact CE1-CB 4.04Å; F76-V160 HydrophobicContact CE1-CG2 3.42Å; F76-V160 VanDerWaalsContact CE1-CG2 3.42Å; F76-V160 HydrophobicContact CZ-CB 4.49Å; F76-V160 HydrophobicContact CZ-CG2 4.2Å |
| 77 | F | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 173.1 | -63.9 | -64.1 | 0 | 0 | 0 | 112.5 | P73 M74 Y75 G79 N80 L81 L129 A132 M133 D136 C156 L159 V160 | P73-F77 WeakPolarHBondContact O-CD2 3.35Å; P73-F77 PolarHBondContact O-N 3.37Å; P73-F77 VanDerWaalsContact O-N 3.12Å; M74-F77 PolarHBondContact O-N 3.08Å; Y75-F77 VanDerWaalsContact C-N 3.33Å; Y75-F77 PolarHBondContact O-N 2.92Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.1Å; F77-N80 PolarHBondContact O-N 2.66Å; F77-N80 VanDerWaalsContact O-N 3.14Å; F77-L81 PolarHBondContact O-N 3.33Å; F77-L129 HydrophobicContact CD1-CD2 4.14Å; F77-A132 HydrophobicContact CD1-CB 4.23Å; F77-A132 HydrophobicContact CE1-CB 3.78Å; F77-A132 HydrophobicContact CZ-CB 4.13Å; F77-M133 HydrophobicContact CB-CG 3.4Å; F77-M133 VanDerWaalsContact CB-CG 3.4Å; F77-M133 HydrophobicContact CB-SD 4.01Å; F77-M133 HydrophobicContact CD2-CG 4.26Å; F77-M133 HydrophobicContact CG-CG 3.9Å; F77-D136 HydrophobicContact CD2-CB 4.41Å; F77-D136 HydrophobicContact CE2-CB 4.13Å; F77-C156 HydrophobicContact CZ-CB 4.22Å; F77-L159 HydrophobicContact CE1-CB 4.03Å; F77-L159 HydrophobicContact CZ-CB 4.24Å; F77-L159 HydrophobicContact CZ-CD1 3.96Å; F77-V160 HydrophobicContact CD1-CG2 3.69Å; F77-V160 HydrophobicContact CE1-CG2 3.72Å |
| 78 | I | 92.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 176.3 | -68.7 | 166.4 | 0 | 0 | 0 | 111.1 | L60 I64 M74 Y75 N80 L81 S82 M133 Y305 | L60-I78 HydrophobicContact CD2-CG2 3.75Å; L60-I78 HydrophobicContact CG-CG2 4.23Å; I64-I78 HydrophobicContact CD1-CB 4.4Å; I64-I78 HydrophobicContact CD1-CG2 4.11Å; M74-I78 HydrophobicContact CE-CD1 3.95Å; M74-I78 HydrophobicContact CE-CG1 4.15Å; M74-I78 HydrophobicContact CG-CD1 3.96Å; M74-I78 WeakPolarHBondContact O-CG1 3.45Å; M74-I78 PolarHBondContact O-N 3.11Å; Y75-I78 HydrophobicContact CD1-CD1 3.92Å; Y75-I78 HydrophobicContact CE1-CD1 4.37Å; Y75-I78 PolarHBondContact O-N 3.48Å; I78-N80 VanDerWaalsContact C-N 3.32Å; I78-N80 PolarHBondContact O-N 2.87Å; I78-L81 PolarHBondContact O-N 2.81Å; I78-S82 PolarHBondContact O-N 2.82Å; I78-S82 PolarHBondContact O-OG 3.21Å; I78-M133 HydrophobicContact CG1-CE 3.76Å; I78-Y305 HydrophobicContact CD1-CD1 3.53Å; I78-Y305 HydrophobicContact CD1-CE1 4.09Å; I78-Y305 HydrophobicContact CD1-CG 4.07Å; I78-Y305 HydrophobicContact CG1-CD1 3.78Å; I78-Y305 HydrophobicContact CG1-CE1 4.01Å; I78-Y305 HydrophobicContact CG1-CG 4.12Å; I78-Y305 HydrophobicContact CG2-CD2 4.37Å; I78-Y305 HydrophobicContact CG2-CG 4.11Å |
| 79 | G | 93.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 11% | 0.113 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V61 Y75 F76 F77 F83 | V61-G79 WeakPolarHBondContact CG2-O 3.37Å; Y75-G79 PolarHBondContact O-N 3.4Å; F76-G79 PolarHBondContact O-N 3.46Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.1Å; G79-F83 PolarHBondContact O-N 3.21Å |
| 80 | N | 95.6 | Very high | 90.9 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 15% | 0.15 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.4 | -40.3 | 174.1 | -78.1 | -82.5 | 0 | 0 | 0 | 112 | F76 F77 I78 F83 L84 L129 V160 | F76-N80 PolarHBondContact O-N 3.21Å; F76-N80 PolarHBondContact O-ND2 3.47Å; F77-N80 PolarHBondContact O-N 2.66Å; F77-N80 VanDerWaalsContact O-N 3.14Å; I78-N80 VanDerWaalsContact C-N 3.32Å; I78-N80 PolarHBondContact O-N 2.87Å; N80-F83 PolarHBondContact O-N 3.13Å; N80-L84 WeakPolarHBondContact O-CG 3.49Å; N80-L84 PolarHBondContact O-N 3.21Å; N80-L129 HydrophobicContact CB-CD1 3.93Å; N80-L129 HydrophobicContact CB-CD2 4.49Å; N80-V160 HydrophobicContact CB-CG1 4.43Å; N80-V160 WeakPolarHBondContact OD1-CG1 3.2Å |
| 81 | L | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.1 | -174.9 | 63.8 | 0 | 0 | 0 | 111.4 | F77 I78 F83 L84 D85 E126 L130 M133 Y305 | F77-L81 PolarHBondContact O-N 3.33Å; I78-L81 PolarHBondContact O-N 2.81Å; L81-F83 VanDerWaalsContact C-N 3.32Å; L81-F83 PolarHBondContact O-N 3.47Å; L81-L84 WeakPolarHBondContact O-CB 3.35Å; L81-L84 PolarHBondContact O-N 3.33Å; L81-L84 VanDerWaalsContact O-N 3.12Å; L81-D85 PolarHBondContact O-N 3.04Å; L81-E126 HydrophobicContact CD1-CB 4.46Å; L81-E126 HydrophobicContact CD1-CG 3.67Å; L81-L130 HydrophobicContact CD2-CD2 4.41Å; L81-M133 HydrophobicContact CD2-CE 4.37Å; L81-M133 HydrophobicContact CD2-SD 4.23Å; L81-Y305 HydrophobicContact CD2-CE2 3.64Å |
| 82 | S | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.4 | -35.8 | 175.1 | -71 | 0 | 0 | 0 | 0 | 113.1 | N57 L60 I78 D85 F86 | N57-S82 WeakPolarHBondContact CB-O 3.41Å; N57-S82 WeakPolarHBondContact OD1-CA 3.35Å; N57-S82 WeakPolarHBondContact OD1-CB 3.34Å; N57-S82 PolarHBondContact OD1-OG 2.89Å; L60-S82 WeakPolarHBondContact CD2-OG 3.44Å; I78-S82 PolarHBondContact O-N 2.82Å; I78-S82 PolarHBondContact O-OG 3.21Å; S82-D85 PolarHBondContact O-N 3.39Å; S82-F86 PolarHBondContact O-N 3.26Å |
| 83 | F | 93.8 | Very high | 91 | Very high | 80 Ų | 80 | 20.7 Ų | 20.7 | 35% | 0.351 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 172.6 | 176.9 | -100.5 | 0 | 0 | 0 | 111.9 | V61 G79 N80 L81 F86 W87 Y164 | V61-F83 HydrophobicContact CG2-CB 4.39Å; G79-F83 PolarHBondContact O-N 3.21Å; N80-F83 PolarHBondContact O-N 3.13Å; L81-F83 VanDerWaalsContact C-N 3.32Å; L81-F83 PolarHBondContact O-N 3.47Å; F83-F86 HydrophobicContact CD2-CD1 4.48Å; F83-F86 HydrophobicContact CE2-CD1 4.43Å; F83-F86 WeakPolarHBondContact O-CB 3.3Å; F83-F86 PolarHBondContact O-N 3.43Å; F83-W87 AromaticContact CE1-CE3 3.97Å; F83-W87 HydrophobicContact CE1-CE3 3.97Å; F83-W87 HydrophobicContact CE1-CZ3 4.43Å; F83-W87 PolarHBondContact O-N 2.84Å; F83-Y164 WeakPolarHBondContact CD1-OH 3.39Å |
| 84 | L | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 172.9 | -73.9 | -176.6 | 0 | 0 | 0 | 112 | N80 L81 F86 W87 Y88 V122 T125 E126 L129 Y164 | N80-L84 WeakPolarHBondContact O-CG 3.49Å; N80-L84 PolarHBondContact O-N 3.21Å; L81-L84 WeakPolarHBondContact O-CB 3.35Å; L81-L84 PolarHBondContact O-N 3.33Å; L81-L84 VanDerWaalsContact O-N 3.12Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 3.37Å; L84-W87 HydrophobicContact CD2-CE3 4.28Å; L84-W87 CarbonylContact O-C 3.56Å; L84-W87 WeakPolarHBondContact O-CB 3.38Å; L84-W87 PolarHBondContact O-N 3.23Å; L84-W87 VanDerWaalsContact O-N 3.08Å; L84-Y88 WeakPolarHBondContact O-CB 3.44Å; L84-Y88 PolarHBondContact O-N 2.97Å; L84-V122 HydrophobicContact CB-CG1 3.95Å; L84-V122 HydrophobicContact CD2-CB 4.48Å; L84-V122 HydrophobicContact CD2-CG1 4.21Å; L84-V122 HydrophobicContact CD2-CG2 4.24Å; L84-T125 HydrophobicContact CD1-CG2 3.63Å; L84-T125 HydrophobicContact CD2-CG2 4.2Å; L84-T125 HydrophobicContact CG-CG2 4.44Å; L84-E126 HydrophobicContact CD1-CB 4.26Å; L84-L129 HydrophobicContact CD1-CD1 3.55Å; L84-L129 HydrophobicContact CG-CD1 4.41Å; L84-Y164 HydrophobicContact CD2-CE1 3.71Å |
| 85 | D | 91.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58 | -46 | 176.6 | -74.9 | -36.5 | 0 | 0 | 0 | 111.5 | L81 S82 W87 Y88 T89 P298 N301 | L81-D85 PolarHBondContact O-N 3.04Å; S82-D85 PolarHBondContact O-N 3.39Å; D85-W87 VanDerWaalsContact C-N 3.32Å; D85-W87 PolarHBondContact O-N 2.98Å; D85-Y88 PolarHBondContact O-N 3.49Å; D85-T89 PolarHBondContact O-N 3.11Å; D85-T89 VanDerWaalsContact O-N 3.07Å; D85-T89 PolarHBondContact O-OG1 3.18Å; D85-T89 VanDerWaalsContact O-OG1 3.07Å; D85-P298 HydrophobicContact CB-CB 3.9Å; D85-N301 VanDerWaalsContact CG-ND2 3.28Å; D85-N301 PolarHBondContact OD1-ND2 3.27Å; D85-N301 WeakPolarHBondContact OD2-CB 3.16Å; D85-N301 PolarHBondContact OD2-ND2 3.14Å |
| 86 | F | 90.8 | Very high | 90.3 | Very high | 54 Ų | 54 | 24 Ų | 24 | 24% | 0.237 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.3 | -46 | 172.8 | 161.7 | -88.1 | 0 | 0 | 0 | 111.9 | L54 N57 M58 S82 F83 L84 S90 | L54-F86 HydrophobicContact CD1-CD2 3.31Å; L54-F86 HydrophobicContact CD1-CE2 3.18Å; L54-F86 HydrophobicContact CD1-CG 4.46Å; L54-F86 HydrophobicContact CD1-CZ 4.24Å; L54-F86 HydrophobicContact CD2-CE2 4.2Å; L54-F86 HydrophobicContact CG-CD2 3.61Å; L54-F86 HydrophobicContact CG-CE2 3.55Å; N57-F86 HydrophobicContact CB-CB 4.43Å; M58-F86 HydrophobicContact CG-CD2 3.67Å; M58-F86 HydrophobicContact CG-CE2 4.05Å; M58-F86 HydrophobicContact CG-CG 4.35Å; M58-F86 HydrophobicContact SD-CB 4.41Å; M58-F86 HydrophobicContact SD-CD1 4.43Å; M58-F86 HydrophobicContact SD-CD2 3.79Å; M58-F86 HydrophobicContact SD-CE2 4.13Å; M58-F86 HydrophobicContact SD-CG 3.96Å; S82-F86 PolarHBondContact O-N 3.26Å; F83-F86 HydrophobicContact CD2-CD1 4.48Å; F83-F86 HydrophobicContact CE2-CD1 4.43Å; F83-F86 WeakPolarHBondContact O-CB 3.3Å; F83-F86 PolarHBondContact O-N 3.43Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 3.37Å; F86-S90 WeakPolarHBondContact O-CB 3.5Å; F86-S90 PolarHBondContact O-N 3.48Å; F86-S90 VanDerWaalsContact O-N 3.15Å; F86-S90 PolarHBondContact O-OG 2.89Å |
| 87 | W | 91.9 | Very high | 90 | Very high | 58 Ų | 58 | 21.5 Ų | 21.5 | 22% | 0.22 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -47.3 | 179.8 | -171.2 | -3.1 | 0 | 0 | 0 | 110.7 | F83 L84 D85 T89 S90 V91 F118 V121 V122 Y164 F168 | F83-W87 AromaticContact CE1-CE3 3.97Å; F83-W87 HydrophobicContact CE1-CE3 3.97Å; F83-W87 HydrophobicContact CE1-CZ3 4.43Å; F83-W87 PolarHBondContact O-N 2.84Å; L84-W87 HydrophobicContact CD2-CE3 4.28Å; L84-W87 CarbonylContact O-C 3.56Å; L84-W87 WeakPolarHBondContact O-CB 3.38Å; L84-W87 PolarHBondContact O-N 3.23Å; L84-W87 VanDerWaalsContact O-N 3.08Å; D85-W87 VanDerWaalsContact C-N 3.32Å; D85-W87 PolarHBondContact O-N 2.98Å; W87-T89 PolarHBondContact O-N 3.11Å; W87-S90 CarbonylContact O-C 3.46Å; W87-S90 WeakPolarHBondContact O-CA 3.43Å; W87-S90 WeakPolarHBondContact O-CB 3.48Å; W87-S90 PolarHBondContact O-N 3.16Å; W87-V91 WeakPolarHBondContact O-CG2 3.44Å; W87-V91 PolarHBondContact O-N 3.42Å; W87-F118 AromaticContact CZ2-CD1 3.55Å; W87-F118 HydrophobicContact CZ2-CD1 3.55Å; W87-F118 AromaticContact CZ2-CE1 3.97Å; W87-F118 HydrophobicContact CZ2-CE1 3.97Å; W87-V121 HydrophobicContact CH2-CG1 4.32Å; W87-V122 HydrophobicContact CB-CG2 4.21Å; W87-V122 HydrophobicContact CD2-CG2 3.97Å; W87-V122 HydrophobicContact CE3-CG2 4.25Å; W87-V122 HydrophobicContact CG-CG2 3.95Å; W87-Y164 HydrophobicContact CZ3-CE1 4.4Å; W87-F168 HydrophobicContact CH2-CZ 4.04Å |
| 88 | Y | 88.3 | Confident | 89.5 | Confident | 22 Ų | 22 | 23.4 Ų | 23.4 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57 | -49.2 | -178.5 | -157.8 | -121.6 | 0 | 0 | 0 | 112 | L84 D85 S90 V91 Y92 V122 Y293 T294 P298 | L84-Y88 WeakPolarHBondContact O-CB 3.44Å; L84-Y88 PolarHBondContact O-N 2.97Å; D85-Y88 PolarHBondContact O-N 3.49Å; Y88-S90 VanDerWaalsContact C-N 3.27Å; Y88-S90 PolarHBondContact O-N 3.36Å; Y88-V91 PolarHBondContact O-N 3.03Å; Y88-V91 VanDerWaalsContact O-N 3.16Å; Y88-Y92 HydrophobicContact CD2-CE2 4.27Å; Y88-Y92 HydrophobicContact CE1-CD2 4.39Å; Y88-Y92 HydrophobicContact CE1-CE2 4.1Å; Y88-Y92 AromaticContact CE2-CE2 3.75Å; Y88-Y92 HydrophobicContact CE2-CE2 3.75Å; Y88-Y92 AromaticContact CZ-CE2 3.64Å; Y88-Y92 PolarHBondContact O-N 3.03Å; Y88-V122 HydrophobicContact CD2-CB 3.62Å; Y88-V122 HydrophobicContact CD2-CG1 3.49Å; Y88-V122 VanDerWaalsContact CD2-CG1 3.49Å; Y88-V122 HydrophobicContact CD2-CG2 4.26Å; Y88-V122 HydrophobicContact CE2-CB 4.31Å; Y88-V122 HydrophobicContact CE2-CG1 4.35Å; Y88-V122 HydrophobicContact CG-CB 4.46Å; Y88-V122 HydrophobicContact CG-CG1 3.89Å; Y88-Y293 HydrophobicContact CE1-CD2 4.16Å; Y88-Y293 WeakPolarHBondContact CE1-O 3.32Å; Y88-Y293 WeakPolarHBondContact OH-CD2 3.32Å; Y88-Y293 WeakPolarHBondContact OH-CE2 3.4Å; Y88-T294 HydrophobicContact CE1-CG2 4.22Å; Y88-P298 HydrophobicContact CD1-CG 4.02Å |
| 89 | T | 88 | Confident | 89 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.4 | -35.3 | 177.9 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | Y50 T53 D85 W87 V91 Y92 T93 P298 | Y50-T89 HydrophobicContact CD2-CG2 3.63Å; Y50-T89 HydrophobicContact CE2-CG2 4.13Å; T53-T89 HydrophobicContact CG2-CG2 4.3Å; T53-T89 WeakPolarHBondContact CG2-OG1 3.49Å; D85-T89 PolarHBondContact O-N 3.11Å; D85-T89 VanDerWaalsContact O-N 3.07Å; D85-T89 PolarHBondContact O-OG1 3.18Å; D85-T89 VanDerWaalsContact O-OG1 3.07Å; W87-T89 PolarHBondContact O-N 3.11Å; T89-V91 VanDerWaalsContact C-N 3.29Å; T89-V91 PolarHBondContact O-N 3.26Å; T89-Y92 PolarHBondContact O-N 3.41Å; T89-T93 WeakPolarHBondContact CG2-OG1 3.49Å; T89-T93 VanDerWaalsContact O-CB 3.23Å; T89-T93 WeakPolarHBondContact O-CB 3.41Å; T89-T93 PolarHBondContact O-N 3.39Å; T89-T93 PolarHBondContact O-OG1 2.95Å; T89-T93 VanDerWaalsContact O-OG1 3.09Å; T89-P298 WeakPolarHBondContact OG1-CB 3.46Å |
| 90 | S | 89.9 | Confident | 88.5 | Confident | 32 Ų | 32 | 23.8 Ų | 23.8 | 22% | 0.224 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71 | -19.7 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 114.1 | Y50 F86 W87 Y88 P94 | Y50-S90 PolarHBondContact OH-OG 3.33Å; F86-S90 WeakPolarHBondContact O-CB 3.5Å; F86-S90 PolarHBondContact O-N 3.48Å; F86-S90 VanDerWaalsContact O-N 3.15Å; F86-S90 PolarHBondContact O-OG 2.89Å; W87-S90 CarbonylContact O-C 3.46Å; W87-S90 WeakPolarHBondContact O-CA 3.43Å; W87-S90 WeakPolarHBondContact O-CB 3.48Å; W87-S90 PolarHBondContact O-N 3.16Å; Y88-S90 VanDerWaalsContact C-N 3.27Å; Y88-S90 PolarHBondContact O-N 3.36Å; S90-P94 WeakPolarHBondContact O-CD 3.26Å; S90-P94 VanDerWaalsContact O-CG 3.28Å; S90-P94 WeakPolarHBondContact O-CG 3.37Å |
| 91 | V | 89.1 | Confident | 87.9 | Confident | 24 Ų | 24 | 27.3 Ų | 27.3 | 15% | 0.145 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.2 | -38.7 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | W87 Y88 T89 Q115 F118 | W87-V91 WeakPolarHBondContact O-CG2 3.44Å; W87-V91 PolarHBondContact O-N 3.42Å; Y88-V91 PolarHBondContact O-N 3.03Å; Y88-V91 VanDerWaalsContact O-N 3.16Å; T89-V91 VanDerWaalsContact C-N 3.29Å; T89-V91 PolarHBondContact O-N 3.26Å; V91-Q115 HydrophobicContact CG1-CG 3.78Å; V91-Q115 WeakPolarHBondContact CG1-O 3.48Å; V91-Q115 PolarHBondContact O-NE2 2.71Å; V91-F118 HydrophobicContact CG1-CB 4.41Å; V91-F118 HydrophobicContact CG2-CB 3.69Å |
| 92 | Y | 83.8 | Confident | 87.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -97.6 | -51.6 | -174 | -70.6 | -67.1 | 0 | 0 | 0 | 113.3 | Y88 T89 K95 I96 Q115 S119 F193 T294 | Y88-Y92 HydrophobicContact CD2-CE2 4.27Å; Y88-Y92 HydrophobicContact CE1-CD2 4.39Å; Y88-Y92 HydrophobicContact CE1-CE2 4.1Å; Y88-Y92 AromaticContact CE2-CE2 3.75Å; Y88-Y92 HydrophobicContact CE2-CE2 3.75Å; Y88-Y92 AromaticContact CZ-CE2 3.64Å; Y88-Y92 PolarHBondContact O-N 3.03Å; T89-Y92 PolarHBondContact O-N 3.41Å; Y92-K95 PolarHBondContact O-N 3.23Å; Y92-K95 VanDerWaalsContact O-N 3.12Å; Y92-I96 WeakPolarHBondContact O-CG1 3.26Å; Y92-I96 PolarHBondContact O-N 3.43Å; Y92-I96 VanDerWaalsContact O-N 3.13Å; Y92-Q115 HydrophobicContact CD1-CG 4.32Å; Y92-Q115 VanDerWaalsContact CD1-NE2 3.28Å; Y92-Q115 HydrophobicContact CE1-CG 4.13Å; Y92-S119 VanDerWaalsContact CZ-CB 3.45Å; Y92-S119 WeakPolarHBondContact OH-CB 3.37Å; Y92-S119 PolarHBondContact OH-OG 2.7Å; Y92-F193 HydrophobicContact CD1-CB 3.56Å; Y92-F193 AromaticContact CD1-CD1 3.62Å; Y92-F193 HydrophobicContact CD1-CD1 3.62Å; Y92-F193 AromaticContact CD1-CD2 3.75Å; Y92-F193 HydrophobicContact CD1-CD2 3.75Å; Y92-F193 HydrophobicContact CD1-CE1 4.15Å; Y92-F193 HydrophobicContact CD1-CE2 4.23Å; Y92-F193 AromaticContact CD1-CG 3.41Å; Y92-F193 HydrophobicContact CD1-CG 3.41Å; Y92-F193 VanDerWaalsContact CD1-CG 3.41Å; Y92-F193 HydrophobicContact CD1-CZ 4.42Å; Y92-F193 HydrophobicContact CE1-CB 3.84Å; Y92-F193 HydrophobicContact CE1-CD1 4Å; Y92-F193 AromaticContact CE1-CD2 3.26Å; Y92-F193 HydrophobicContact CE1-CD2 3.26Å; Y92-F193 HydrophobicContact CE1-CE1 4.33Å; Y92-F193 AromaticContact CE1-CE2 3.62Å; Y92-F193 HydrophobicContact CE1-CE2 3.62Å; Y92-F193 AromaticContact CE1-CG 3.48Å; Y92-F193 HydrophobicContact CE1-CG 3.48Å; Y92-F193 VanDerWaalsContact CE1-CG 3.48Å; Y92-F193 HydrophobicContact CE1-CZ 4.15Å; Y92-F193 HydrophobicContact CG-CD1 4.4Å; Y92-T294 HydrophobicContact CD2-CG2 3.71Å; Y92-T294 HydrophobicContact CE2-CG2 3.81Å; Y92-T294 HydrophobicContact CG-CG2 4.09Å |
| 93 | T | 84.7 | Confident | 86.2 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | -164.9 | -53.5 | 0 | 0 | 0 | 0 | 114.4 | Y50 T89 K95 I96 L97 | Y50-T93 HydrophobicContact CD2-CG2 3.97Å; Y50-T93 HydrophobicContact CG-CG2 3.9Å; T89-T93 WeakPolarHBondContact CG2-OG1 3.49Å; T89-T93 VanDerWaalsContact O-CB 3.23Å; T89-T93 WeakPolarHBondContact O-CB 3.41Å; T89-T93 PolarHBondContact O-N 3.39Å; T89-T93 PolarHBondContact O-OG1 2.95Å; T89-T93 VanDerWaalsContact O-OG1 3.09Å; T93-K95 VanDerWaalsContact C-N 3.29Å; T93-K95 PolarHBondContact O-N 3.02Å; T93-I96 WeakPolarHBondContact O-CB 3.45Å; T93-I96 PolarHBondContact O-N 2.85Å; T93-I96 VanDerWaalsContact O-N 3.16Å; T93-L97 HydrophobicContact CG2-CD1 4.05Å; T93-L97 HydrophobicContact CG2-CG 4.15Å; T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 WeakPolarHBondContact O-CG 3.35Å; T93-L97 PolarHBondContact O-N 3.05Å |
| 94 | P | 86.4 | Confident | 85.5 | Confident | 56 Ų | 56 | 39.5 Ų | 39.5 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -39.3 | 174.4 | -27.6 | 37.6 | 0 | 0 | 0 | 113.1 | S90 L97 A98 | S90-P94 WeakPolarHBondContact O-CD 3.26Å; S90-P94 VanDerWaalsContact O-CG 3.28Å; S90-P94 WeakPolarHBondContact O-CG 3.37Å; P94-L97 PolarHBondContact O-N 2.7Å; P94-A98 WeakPolarHBondContact O-CB 3.47Å; P94-A98 PolarHBondContact O-N 3.09Å |
| 95 | K | 85.5 | Confident | 84.8 | Confident | 56 Ų | 56 | 41.5 Ų | 41.5 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.7 | -35.1 | 177.6 | -172.2 | 58.3 | 176 | 177 | 0 | 111.7 | L29 Y92 T93 S99 R106 | L29-K95 HydrophobicContact CD1-CG 4.23Å; Y92-K95 PolarHBondContact O-N 3.23Å; Y92-K95 VanDerWaalsContact O-N 3.12Å; T93-K95 VanDerWaalsContact C-N 3.29Å; T93-K95 PolarHBondContact O-N 3.02Å; K95-S99 WeakPolarHBondContact O-CB 3.43Å; K95-S99 PolarHBondContact O-N 3.16Å; K95-R106 PolarHBondContact NZ-O 3.12Å |
| 96 | I | 83.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 173 | -62.3 | 173.5 | 0 | 0 | 0 | 110.3 | F46 Y92 T93 S99 C100 F192 | F46-I96 HydrophobicContact CD1-CG2 4.34Å; F46-I96 HydrophobicContact CD2-CG2 3.58Å; F46-I96 HydrophobicContact CE2-CG2 3.77Å; F46-I96 HydrophobicContact CG-CG2 3.91Å; F46-I96 HydrophobicContact CZ-CG2 4.26Å; Y92-I96 WeakPolarHBondContact O-CG1 3.26Å; Y92-I96 PolarHBondContact O-N 3.43Å; Y92-I96 VanDerWaalsContact O-N 3.13Å; T93-I96 WeakPolarHBondContact O-CB 3.45Å; T93-I96 PolarHBondContact O-N 2.85Å; T93-I96 VanDerWaalsContact O-N 3.16Å; I96-S99 VanDerWaalsContact O-CB 3.25Å; I96-S99 WeakPolarHBondContact O-CB 3.34Å; I96-S99 PolarHBondContact O-N 2.88Å; I96-C100 PolarHBondContact O-N 2.88Å; I96-C100 PolarHBondContact O-SG 3.27Å; I96-F192 HydrophobicContact CD1-CD2 3.5Å; I96-F192 HydrophobicContact CD1-CE2 3.61Å; I96-F192 HydrophobicContact CG1-CD2 3.68Å; I96-F192 HydrophobicContact CG1-CE2 4.31Å |
| 97 | L | 86.4 | Confident | 83.9 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 177.9 | -70.9 | 172.8 | 0 | 0 | 0 | 112 | F43 F46 L47 Y50 T93 P94 S99 C100 V101 | F43-L97 HydrophobicContact CD2-CB 4.18Å; F43-L97 HydrophobicContact CD2-CD2 3.69Å; F43-L97 HydrophobicContact CE2-CB 3.96Å; F43-L97 HydrophobicContact CE2-CD2 3.89Å; F43-L97 HydrophobicContact CE2-CG 4.47Å; F43-L97 HydrophobicContact CG-CD2 4.27Å; F43-L97 WeakPolarHBondContact O-CD2 3.29Å; F46-L97 HydrophobicContact CB-CD2 3.7Å; F46-L97 HydrophobicContact CB-CG 4.43Å; L47-L97 HydrophobicContact CB-CD2 3.94Å; L47-L97 HydrophobicContact CD1-CD1 4.1Å; Y50-L97 HydrophobicContact CD1-CD1 4.46Å; T93-L97 HydrophobicContact CG2-CD1 4.05Å; T93-L97 HydrophobicContact CG2-CG 4.15Å; T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 WeakPolarHBondContact O-CG 3.35Å; T93-L97 PolarHBondContact O-N 3.05Å; P94-L97 PolarHBondContact O-N 2.7Å; L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 3.32Å; L97-C100 WeakPolarHBondContact O-CB 3.21Å; L97-C100 PolarHBondContact O-N 3.46Å; L97-V101 PolarHBondContact O-N 3.25Å |
| 98 | A | 85.2 | Confident | 83.7 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.5 | -39.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P94 C100 V101 S102 | P94-A98 WeakPolarHBondContact O-CB 3.47Å; P94-A98 PolarHBondContact O-N 3.09Å; A98-C100 VanDerWaalsContact C-N 3.29Å; A98-C100 PolarHBondContact O-N 3.38Å; A98-V101 PolarHBondContact O-N 2.93Å; A98-S102 WeakPolarHBondContact O-CB 3.37Å; A98-S102 PolarHBondContact O-N 3Å |
| 99 | S | 81.8 | Confident | 83.4 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 172.4 | -165.5 | 0 | 0 | 0 | 0 | 111.7 | K95 I96 L97 V101 K105 | K95-S99 WeakPolarHBondContact O-CB 3.43Å; K95-S99 PolarHBondContact O-N 3.16Å; I96-S99 VanDerWaalsContact O-CB 3.25Å; I96-S99 WeakPolarHBondContact O-CB 3.34Å; I96-S99 PolarHBondContact O-N 2.88Å; L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 3.32Å; S99-V101 VanDerWaalsContact C-N 3.32Å; S99-V101 PolarHBondContact O-N 2.98Å; S99-K105 WeakPolarHBondContact O-CE 3.27Å; S99-K105 PolarHBondContact O-NZ 3.5Å; S99-K105 VanDerWaalsContact OG-CD 3.31Å; S99-K105 WeakPolarHBondContact OG-CD 3.39Å; S99-K105 VanDerWaalsContact OG-CE 3.22Å; S99-K105 WeakPolarHBondContact OG-CE 3.37Å |
| 100 | C | 81.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.081 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 179.2 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | Q39 F43 I96 L97 A98 | Q39-C100 WeakPolarHBondContact CB-O 3.28Å; F43-C100 HydrophobicContact CB-CB 3.73Å; F43-C100 HydrophobicContact CD2-CB 4.04Å; F43-C100 HydrophobicContact CG-CB 4.39Å; I96-C100 PolarHBondContact O-N 2.88Å; I96-C100 PolarHBondContact O-SG 3.27Å; L97-C100 WeakPolarHBondContact O-CB 3.21Å; L97-C100 PolarHBondContact O-N 3.46Å; A98-C100 VanDerWaalsContact C-N 3.29Å; A98-C100 PolarHBondContact O-N 3.38Å |
| 101 | V | 83.6 | Confident | 83 | Confident | 101 Ų | 101 | 50.3 Ų | 50.3 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -104.8 | -23 | -172.8 | -61 | 0 | 0 | 0 | 0 | 115 | F43 L97 A98 S99 | F43-V101 HydrophobicContact CD2-CG1 3.45Å; F43-V101 VanDerWaalsContact CD2-CG1 3.45Å; F43-V101 HydrophobicContact CE2-CG1 3.61Å; F43-V101 HydrophobicContact CG-CG1 3.98Å; F43-V101 HydrophobicContact CZ-CG1 4.29Å; L97-V101 PolarHBondContact O-N 3.25Å; A98-V101 PolarHBondContact O-N 2.93Å; S99-V101 VanDerWaalsContact C-N 3.32Å; S99-V101 PolarHBondContact O-N 2.98Å |
| 102 | S | 80.1 | Confident | 82.8 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | trans | -93.7 | 134.9 | -176.6 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | A98 D104 K105 | A98-S102 WeakPolarHBondContact O-CB 3.37Å; A98-S102 PolarHBondContact O-N 3Å; S102-D104 VanDerWaalsContact C-N 3.29Å; S102-D104 WeakPolarHBondContact CB-O 3.36Å; S102-D104 PolarHBondContact OG-N 3.46Å; S102-D104 VanDerWaalsContact OG-N 3.13Å; S102-D104 PolarHBondContact OG-O 3.49Å; S102-K105 PolarHBondContact O-NZ 3.37Å | ||
| 103 | E | 72.6 | Confident | 83 | Confident | 198 Ų | 198 | 49.6 Ų | 49.6 | 93% | 0.925 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -70 | -30.7 | 166.9 | -66.4 | -173.4 | 174.8 | 0 | 0 | 111.5 | K105 | E103-K105 PolarHBondContact O-N 2.82Š|
| 104 | D | 77.6 | Confident | 83.2 | Confident | 94 Ų | 94 | 51.6 Ų | 51.6 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | trans | -79.2 | 108.1 | 171.7 | -173.4 | 10.7 | 0 | 0 | 0 | 110.6 | S102 R106 | S102-D104 VanDerWaalsContact C-N 3.29Å; S102-D104 WeakPolarHBondContact CB-O 3.36Å; S102-D104 PolarHBondContact OG-N 3.46Å; S102-D104 VanDerWaalsContact OG-N 3.13Å; S102-D104 PolarHBondContact OG-O 3.49Å; D104-R106 WeakPolarHBondContact OD1-CB 3.2Å; D104-R106 WeakPolarHBondContact OD1-CD 3.39Å; D104-R106 WeakPolarHBondContact OD1-CG 3.15Å; D104-R106 PolarHBondContact OD1-N 3.25Å | ||
| 105 | K | 78.6 | Confident | 83.4 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | trans | -99 | 11.2 | 179 | -58.1 | -63.5 | -151.5 | -90.9 | 0 | 113.2 | I28 L29 S99 S102 E103 | I28-K105 HydrophobicContact CG2-CB 4.45Å; L29-K105 PolarHBondContact N-O 2.91Å; L29-K105 VanDerWaalsContact N-O 3.09Å; L29-K105 VanDerWaalsContact O-CB 3.27Å; L29-K105 WeakPolarHBondContact O-CB 3.47Å; S99-K105 WeakPolarHBondContact O-CE 3.27Å; S99-K105 PolarHBondContact O-NZ 3.5Å; S99-K105 VanDerWaalsContact OG-CD 3.31Å; S99-K105 WeakPolarHBondContact OG-CD 3.39Å; S99-K105 VanDerWaalsContact OG-CE 3.22Å; S99-K105 WeakPolarHBondContact OG-CE 3.37Å; S102-K105 PolarHBondContact O-NZ 3.37Å; E103-K105 PolarHBondContact O-N 2.82Å | ||
| 106 | R | 80.8 | Confident | 83.6 | Confident | 119 Ų | 119 | 47 Ų | 47 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 150.7 | -178.5 | -68 | 166.2 | -178.1 | -90.7 | -4.8 | 111.8 | E26 F27 I28 K95 D104 | E26-R106 WeakPolarHBondContact OE2-CD 3.5Å; E26-R106 IonicContact OE2-CZ 2.81Å; E26-R106 IonicContact OE2-NE 2.88Å; E26-R106 IonicContact OE2-NH1 3.99Å; E26-R106 PolarHBondContact OE2-NH1 2.9Å; F27-R106 CarbonylContact O-C 3.56Å; F27-R106 VanDerWaalsContact O-CA 3.24Å; F27-R106 WeakPolarHBondContact O-CA 3.49Å; I28-R106 HydrophobicContact CG1-CG 4.08Å; K95-R106 PolarHBondContact NZ-O 3.12Å; D104-R106 WeakPolarHBondContact OD1-CB 3.2Å; D104-R106 WeakPolarHBondContact OD1-CD 3.39Å; D104-R106 WeakPolarHBondContact OD1-CG 3.15Å; D104-R106 PolarHBondContact OD1-N 3.25Å |
| 107 | I | 83.3 | Confident | 84 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.9 | 168 | -171 | 169.8 | 0 | 0 | 0 | 107.6 | E26 F27 L29 C112 | E26-I107 CarbonylContact C-O 3.29Å; E26-I107 WeakPolarHBondContact CA-O 3.37Å; F27-I107 HydrophobicContact CB-CG2 3.85Å; F27-I107 PolarHBondContact N-O 3.2Å; F27-I107 PolarHBondContact O-N 2.87Å; L29-I107 HydrophobicContact CD1-CB 4.22Å; L29-I107 HydrophobicContact CD1-CD1 4.45Å; L29-I107 HydrophobicContact CD1-CG2 3.94Å; L29-I107 HydrophobicContact CD2-CG2 4.47Å; L29-I107 HydrophobicContact CG-CG2 3.96Å; I107-C112 HydrophobicContact CD1-CB 4.34Å; I107-C112 HydrophobicContact CG1-CB 4.47Å |
| 108 | S | 86.2 | Confident | 84.3 | Confident | 59 Ų | 59 | 52 Ų | 52 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 154.6 | 176 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | A110 G111 C112 | S108-A110 PolarHBondContact O-N 3.02Å; S108-G111 PolarHBondContact O-N 3.37Å; S108-G111 PolarHBondContact OG-N 3.48Å; S108-C112 WeakPolarHBondContact O-CB 3.46Å; S108-C112 PolarHBondContact O-N 3.43Å |
| 109 | L | 81.9 | Confident | 84.5 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.1 | -42.1 | 173.4 | -176.9 | 69.8 | 0 | 0 | 0 | 111.2 | T25 F27 C112 G113 F179 F183 | T25-L109 PolarHBondContact O-N 3.43Å; F27-L109 HydrophobicContact CE2-CD1 3.47Å; F27-L109 VanDerWaalsContact CE2-CD1 3.47Å; F27-L109 HydrophobicContact CZ-CD1 3.79Å; L109-C112 WeakPolarHBondContact O-CB 3.16Å; L109-C112 PolarHBondContact O-N 2.96Å; L109-G113 PolarHBondContact O-N 3.31Å; L109-F179 HydrophobicContact CD1-CD1 4.04Å; L109-F179 HydrophobicContact CD1-CE1 3.57Å; L109-F179 HydrophobicContact CG-CD1 4.34Å; L109-F179 HydrophobicContact CG-CE1 3.98Å; L109-F183 HydrophobicContact CD1-CD2 4.38Å; L109-F183 HydrophobicContact CD1-CE2 4.44Å |
| 110 | A | 84.2 | Confident | 84.9 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S108 C112 G113 A114 | S108-A110 PolarHBondContact O-N 3.02Å; A110-C112 VanDerWaalsContact C-N 3.35Å; A110-G113 PolarHBondContact O-N 3.03Å; A110-A114 WeakPolarHBondContact O-CB 3.04Å; A110-A114 PolarHBondContact O-N 3.48Å |
| 111 | G | 86.4 | Confident | 85.5 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S108 A114 Q115 | S108-G111 PolarHBondContact O-N 3.37Å; S108-G111 PolarHBondContact OG-N 3.48Å; G111-A114 PolarHBondContact O-N 2.9Å; G111-Q115 WeakPolarHBondContact O-CB 3.12Å; G111-Q115 PolarHBondContact O-N 2.85Å |
| 112 | C | 85.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 173.7 | -169 | 0 | 0 | 0 | 0 | 111.6 | F27 I107 S108 L109 A110 Q115 L116 C194 | F27-C112 HydrophobicContact CD2-CB 4.05Å; F27-C112 HydrophobicContact CE2-CB 4.21Å; I107-C112 HydrophobicContact CD1-CB 4.34Å; I107-C112 HydrophobicContact CG1-CB 4.47Å; S108-C112 WeakPolarHBondContact O-CB 3.46Å; S108-C112 PolarHBondContact O-N 3.43Å; L109-C112 WeakPolarHBondContact O-CB 3.16Å; L109-C112 PolarHBondContact O-N 2.96Å; A110-C112 VanDerWaalsContact C-N 3.35Å; C112-Q115 PolarHBondContact O-N 3.12Å; C112-L116 WeakPolarHBondContact O-CB 3.43Å; C112-L116 PolarHBondContact O-N 2.95Å; C112-C194 WeakPolarHBondContact CA-SG 3.47Å; C112-C194 HydrophobicContact CB-CB 3.95Å; C112-C194 WeakPolarHBondContact CB-SG 3.46Å; C112-C194 WeakPolarHBondContact SG-CB 3.28Å; C112-C194 CovalentContact SG-SG 2.02Å; C112-C194 PolarHBondContact SG-SG 2.85Å |
| 113 | G | 86.9 | Confident | 86.4 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L109 A110 L116 F117 | L109-G113 PolarHBondContact O-N 3.31Å; A110-G113 PolarHBondContact O-N 3.03Å; G113-L116 PolarHBondContact O-N 2.98Å; G113-F117 VanDerWaalsContact O-CB 3.23Å; G113-F117 WeakPolarHBondContact O-CB 3.15Å; G113-F117 PolarHBondContact O-N 2.86Å |
| 114 | A | 90.2 | Very high | 87.3 | Confident | 44 Ų | 44 | 35.1 Ų | 35.1 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A110 G111 L116 F117 F118 | A110-A114 WeakPolarHBondContact O-CB 3.04Å; A110-A114 PolarHBondContact O-N 3.48Å; G111-A114 PolarHBondContact O-N 2.9Å; A114-L116 PolarHBondContact O-N 3.43Å; A114-F117 PolarHBondContact O-N 3.11Å; A114-F118 HydrophobicContact CB-CD2 4.47Å; A114-F118 HydrophobicContact CB-CE2 4.38Å; A114-F118 WeakPolarHBondContact O-CD2 3.31Å; A114-F118 PolarHBondContact O-N 3.47Å |
| 115 | Q | 90.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.065 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 177.4 | -174.7 | 173.1 | 31.7 | 0 | 0 | 111.4 | V91 Y92 G111 C112 S119 C194 | V91-Q115 HydrophobicContact CG1-CG 3.78Å; V91-Q115 WeakPolarHBondContact CG1-O 3.48Å; V91-Q115 PolarHBondContact O-NE2 2.71Å; Y92-Q115 HydrophobicContact CD1-CG 4.32Å; Y92-Q115 VanDerWaalsContact CD1-NE2 3.28Å; Y92-Q115 HydrophobicContact CE1-CG 4.13Å; G111-Q115 WeakPolarHBondContact O-CB 3.12Å; G111-Q115 PolarHBondContact O-N 2.85Å; C112-Q115 PolarHBondContact O-N 3.12Å; Q115-S119 WeakPolarHBondContact O-CB 3.44Å; Q115-S119 PolarHBondContact O-N 2.99Å; Q115-S119 VanDerWaalsContact O-N 3.09Å; Q115-S119 PolarHBondContact O-OG 3.25Å; Q115-C194 VanDerWaalsContact OE1-N 3.08Å |
| 116 | L | 88.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 177.4 | 178.9 | 62.5 | 0 | 0 | 0 | 112.1 | C112 G113 A114 S119 C120 T178 F179 V196 L199 | C112-L116 WeakPolarHBondContact O-CB 3.43Å; C112-L116 PolarHBondContact O-N 2.95Å; G113-L116 PolarHBondContact O-N 2.98Å; A114-L116 PolarHBondContact O-N 3.43Å; L116-S119 PolarHBondContact O-N 3.08Å; L116-S119 PolarHBondContact O-OG 2.82Å; L116-C120 WeakPolarHBondContact O-CB 3.31Å; L116-C120 PolarHBondContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 3.27Å; L116-T178 HydrophobicContact CD2-CG2 3.86Å; L116-F179 HydrophobicContact CD2-CE2 4.04Å; L116-V196 HydrophobicContact CD1-CG2 3.54Å; L116-L199 HydrophobicContact CD2-CD1 4.1Å |
| 117 | F | 91.9 | Very high | 89.6 | Confident | 45 Ų | 45 | 23.4 Ų | 23.4 | 20% | 0.197 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -53.4 | -179.7 | 174.4 | -102.9 | 0 | 0 | 0 | 111.4 | G113 A114 S119 C120 V121 F168 A171 I172 T175 | G113-F117 VanDerWaalsContact O-CB 3.23Å; G113-F117 WeakPolarHBondContact O-CB 3.15Å; G113-F117 PolarHBondContact O-N 2.86Å; A114-F117 PolarHBondContact O-N 3.11Å; F117-S119 VanDerWaalsContact C-N 3.34Å; F117-S119 PolarHBondContact O-N 2.92Å; F117-C120 PolarHBondContact O-N 3.04Å; F117-V121 HydrophobicContact CD1-CG2 4.39Å; F117-V121 HydrophobicContact CE1-CG2 4Å; F117-V121 HydrophobicContact CE2-CG2 4.27Å; F117-V121 HydrophobicContact CZ-CG2 3.94Å; F117-V121 WeakPolarHBondContact O-CG2 3.38Å; F117-V121 PolarHBondContact O-N 3.07Å; F117-F168 HydrophobicContact CE1-CD1 4.45Å; F117-F168 HydrophobicContact CE1-CE1 4.36Å; F117-F168 AromaticContact CZ-CD1 3.95Å; F117-F168 HydrophobicContact CZ-CD1 3.95Å; F117-F168 HydrophobicContact CZ-CE1 4.3Å; F117-A171 HydrophobicContact CD2-CB 4.04Å; F117-A171 HydrophobicContact CE2-CB 3.94Å; F117-I172 HydrophobicContact CE2-CG1 3.69Å; F117-I172 HydrophobicContact CZ-CG1 4.29Å; F117-T175 WeakPolarHBondContact CA-OG1 3.37Å; F117-T175 HydrophobicContact CB-CG2 4.24Å |
| 118 | F | 93.1 | Very high | 90.2 | Very high | 80 Ų | 80 | 25.3 Ų | 25.3 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.8 | -35 | -177.9 | -71.1 | -60.4 | 0 | 0 | 0 | 112.5 | W87 V91 A114 V121 V122 | W87-F118 AromaticContact CZ2-CD1 3.55Å; W87-F118 HydrophobicContact CZ2-CD1 3.55Å; W87-F118 AromaticContact CZ2-CE1 3.97Å; W87-F118 HydrophobicContact CZ2-CE1 3.97Å; V91-F118 HydrophobicContact CG1-CB 4.41Å; V91-F118 HydrophobicContact CG2-CB 3.69Å; A114-F118 HydrophobicContact CB-CD2 4.47Å; A114-F118 HydrophobicContact CB-CE2 4.38Å; A114-F118 WeakPolarHBondContact O-CD2 3.31Å; A114-F118 PolarHBondContact O-N 3.47Å; F118-V121 PolarHBondContact O-N 3.46Å; F118-V122 WeakPolarHBondContact O-CG2 3.39Å; F118-V122 PolarHBondContact O-N 2.88Å |
| 119 | S | 89.1 | Confident | 90.6 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 174.7 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | Y92 Q115 L116 F117 V122 A123 | Y92-S119 VanDerWaalsContact CZ-CB 3.45Å; Y92-S119 WeakPolarHBondContact OH-CB 3.37Å; Y92-S119 PolarHBondContact OH-OG 2.7Å; Q115-S119 WeakPolarHBondContact O-CB 3.44Å; Q115-S119 PolarHBondContact O-N 2.99Å; Q115-S119 VanDerWaalsContact O-N 3.09Å; Q115-S119 PolarHBondContact O-OG 3.25Å; L116-S119 PolarHBondContact O-N 3.08Å; L116-S119 PolarHBondContact O-OG 2.82Å; F117-S119 VanDerWaalsContact C-N 3.34Å; F117-S119 PolarHBondContact O-N 2.92Å; S119-V122 PolarHBondContact O-N 2.85Å; S119-A123 WeakPolarHBondContact O-CB 3.4Å; S119-A123 PolarHBondContact O-N 2.54Å |
| 120 | C | 90 | Very high | 91.3 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 173.1 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | L116 F117 V122 A123 Y124 A171 | L116-C120 WeakPolarHBondContact O-CB 3.31Å; L116-C120 PolarHBondContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 3.27Å; F117-C120 PolarHBondContact O-N 3.04Å; C120-V122 VanDerWaalsContact C-N 3.26Å; C120-V122 PolarHBondContact O-N 3.48Å; C120-A123 PolarHBondContact O-N 3.08Å; C120-Y124 HydrophobicContact CB-CD2 4.18Å; C120-Y124 HydrophobicContact CB-CE2 3.97Å; C120-Y124 WeakPolarHBondContact O-CD2 3.32Å; C120-Y124 PolarHBondContact O-N 3.01Å; C120-A171 HydrophobicContact CB-CB 3.67Å |
| 121 | V | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -53.5 | -49.6 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | W87 F117 F118 T125 F168 A171 | W87-V121 HydrophobicContact CH2-CG1 4.32Å; F117-V121 HydrophobicContact CD1-CG2 4.39Å; F117-V121 HydrophobicContact CE1-CG2 4Å; F117-V121 HydrophobicContact CE2-CG2 4.27Å; F117-V121 HydrophobicContact CZ-CG2 3.94Å; F117-V121 WeakPolarHBondContact O-CG2 3.38Å; F117-V121 PolarHBondContact O-N 3.07Å; F118-V121 PolarHBondContact O-N 3.46Å; V121-T125 VanDerWaalsContact O-CB 3.29Å; V121-T125 WeakPolarHBondContact O-CB 3.44Å; V121-T125 PolarHBondContact O-N 3.43Å; V121-T125 PolarHBondContact O-OG1 2.76Å; V121-F168 HydrophobicContact CG1-CD1 4.11Å; V121-F168 HydrophobicContact CG1-CD2 4.26Å; V121-F168 HydrophobicContact CG1-CE1 3.96Å; V121-F168 HydrophobicContact CG1-CE2 4.09Å; V121-F168 HydrophobicContact CG1-CG 4.26Å; V121-F168 HydrophobicContact CG1-CZ 3.94Å; V121-F168 HydrophobicContact CG2-CD1 3.64Å; V121-F168 HydrophobicContact CG2-CE1 3.85Å; V121-F168 HydrophobicContact CG2-CG 4.31Å; V121-A171 HydrophobicContact CB-CB 4.25Å; V121-A171 HydrophobicContact CG2-CB 3.42Å; V121-A171 VanDerWaalsContact CG2-CB 3.42Å |
| 122 | V | 92.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -49.8 | -178.9 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L84 W87 Y88 F118 S119 C120 Y124 T125 E126 | L84-V122 HydrophobicContact CB-CG1 3.95Å; L84-V122 HydrophobicContact CD2-CB 4.48Å; L84-V122 HydrophobicContact CD2-CG1 4.21Å; L84-V122 HydrophobicContact CD2-CG2 4.24Å; W87-V122 HydrophobicContact CB-CG2 4.21Å; W87-V122 HydrophobicContact CD2-CG2 3.97Å; W87-V122 HydrophobicContact CE3-CG2 4.25Å; W87-V122 HydrophobicContact CG-CG2 3.95Å; Y88-V122 HydrophobicContact CD2-CB 3.62Å; Y88-V122 HydrophobicContact CD2-CG1 3.49Å; Y88-V122 VanDerWaalsContact CD2-CG1 3.49Å; Y88-V122 HydrophobicContact CD2-CG2 4.26Å; Y88-V122 HydrophobicContact CE2-CB 4.31Å; Y88-V122 HydrophobicContact CE2-CG1 4.35Å; Y88-V122 HydrophobicContact CG-CB 4.46Å; Y88-V122 HydrophobicContact CG-CG1 3.89Å; F118-V122 WeakPolarHBondContact O-CG2 3.39Å; F118-V122 PolarHBondContact O-N 2.88Å; S119-V122 PolarHBondContact O-N 2.85Å; C120-V122 VanDerWaalsContact C-N 3.26Å; C120-V122 PolarHBondContact O-N 3.48Å; V122-Y124 PolarHBondContact O-N 3.19Å; V122-T125 PolarHBondContact O-N 3.07Å; V122-E126 WeakPolarHBondContact O-CB 3.29Å; V122-E126 PolarHBondContact O-N 3.48Å |
| 123 | A | 89.8 | Confident | 92.8 | Very high | 25 Ų | 25 | 16 Ų | 16 | 21% | 0.207 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S119 C120 C127 | S119-A123 WeakPolarHBondContact O-CB 3.4Å; S119-A123 PolarHBondContact O-N 2.54Å; C120-A123 PolarHBondContact O-N 3.08Å; A123-C127 PolarHBondContact O-N 3.12Å; A123-C127 VanDerWaalsContact O-N 3.17Å; A123-C127 PolarHBondContact O-SG 2.83Å |
| 124 | Y | 93.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 15.4 Ų | 15.4 | 5% | 0.051 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -70.5 | -40 | 176.9 | -70.3 | -57.2 | 0 | 0 | 0 | 112.6 | C120 V122 E126 C127 Y128 N170 H174 V218 T221 | C120-Y124 HydrophobicContact CB-CD2 4.18Å; C120-Y124 HydrophobicContact CB-CE2 3.97Å; C120-Y124 WeakPolarHBondContact O-CD2 3.32Å; C120-Y124 PolarHBondContact O-N 3.01Å; V122-Y124 PolarHBondContact O-N 3.19Å; Y124-E126 VanDerWaalsContact C-N 3.29Å; Y124-E126 PolarHBondContact O-N 2.95Å; Y124-C127 WeakPolarHBondContact O-CB 3.17Å; Y124-C127 PolarHBondContact O-N 3.43Å; Y124-Y128 WeakPolarHBondContact O-CD2 3.47Å; Y124-Y128 PolarHBondContact O-N 3.41Å; Y124-N170 HydrophobicContact CD1-CB 3.99Å; Y124-N170 HydrophobicContact CD2-CB 3.4Å; Y124-N170 VanDerWaalsContact CD2-CB 3.4Å; Y124-N170 HydrophobicContact CE1-CB 4.19Å; Y124-N170 HydrophobicContact CE2-CB 3.65Å; Y124-N170 HydrophobicContact CG-CB 3.61Å; Y124-H174 HydrophobicContact CE2-CB 4.27Å; Y124-H174 PolarHBondContact OH-CD2 3.47Å; Y124-V218 HydrophobicContact CE1-CG1 4.4Å; Y124-V218 WeakPolarHBondContact OH-CG2 3.29Å; Y124-T221 HydrophobicContact CD1-CG2 3.62Å; Y124-T221 HydrophobicContact CE1-CG2 4.11Å |
| 125 | T | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 176.7 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | L84 V121 V122 C127 Y128 L129 Y164 | L84-T125 HydrophobicContact CD1-CG2 3.63Å; L84-T125 HydrophobicContact CD2-CG2 4.2Å; L84-T125 HydrophobicContact CG-CG2 4.44Å; V121-T125 VanDerWaalsContact O-CB 3.29Å; V121-T125 WeakPolarHBondContact O-CB 3.44Å; V121-T125 PolarHBondContact O-N 3.43Å; V121-T125 PolarHBondContact O-OG1 2.76Å; V122-T125 PolarHBondContact O-N 3.07Å; T125-C127 PolarHBondContact O-N 3.44Å; T125-Y128 PolarHBondContact O-N 2.87Å; T125-L129 HydrophobicContact CG2-CD1 4.25Å; T125-L129 HydrophobicContact CG2-CG 4.33Å; T125-L129 WeakPolarHBondContact O-CG 3.28Å; T125-L129 PolarHBondContact O-N 3.05Å; T125-Y164 HydrophobicContact CG2-CD1 3.83Å; T125-Y164 HydrophobicContact CG2-CD2 4.11Å; T125-Y164 HydrophobicContact CG2-CE1 4.01Å; T125-Y164 HydrophobicContact CG2-CE2 4.26Å; T125-Y164 HydrophobicContact CG2-CG 3.89Å |
| 126 | E | 94 | Very high | 93.8 | Very high | 7 Ų | 7 | 17 Ų | 17 | 3% | 0.033 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.2 | -178 | 165.6 | -173.9 | 0 | 0 | 111.9 | L81 L84 V122 Y124 Y128 L129 L130 F266 | L81-E126 HydrophobicContact CD1-CB 4.46Å; L81-E126 HydrophobicContact CD1-CG 3.67Å; L84-E126 HydrophobicContact CD1-CB 4.26Å; V122-E126 WeakPolarHBondContact O-CB 3.29Å; V122-E126 PolarHBondContact O-N 3.48Å; Y124-E126 VanDerWaalsContact C-N 3.29Å; Y124-E126 PolarHBondContact O-N 2.95Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.15Å; E126-L129 PolarHBondContact O-N 3.28Å; E126-L130 HydrophobicContact CG-CD1 4.08Å; E126-L130 HydrophobicContact CG-CG 4.31Å; E126-L130 WeakPolarHBondContact O-CB 3.31Å; E126-L130 VanDerWaalsContact O-CG 3.31Å; E126-L130 WeakPolarHBondContact O-CG 3.3Å; E126-L130 PolarHBondContact O-N 3.39Å; E126-F266 HydrophobicContact CB-CE2 4.07Å; E126-F266 HydrophobicContact CB-CZ 4.04Å; E126-F266 HydrophobicContact CG-CD2 3.89Å; E126-F266 HydrophobicContact CG-CE1 4.36Å; E126-F266 HydrophobicContact CG-CE2 3.66Å; E126-F266 HydrophobicContact CG-CG 4.34Å; E126-F266 HydrophobicContact CG-CZ 3.9Å; E126-F266 WeakPolarHBondContact OE1-CD2 3.44Å; E126-F266 WeakPolarHBondContact OE2-CD2 3.44Å; E126-F266 WeakPolarHBondContact OE2-CE2 2.97Å |
| 127 | C | 94 | Very high | 94 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.02 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54 | -48.9 | 173.8 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | A123 Y124 T125 A131 F266 Y267 | A123-C127 PolarHBondContact O-N 3.12Å; A123-C127 VanDerWaalsContact O-N 3.17Å; A123-C127 PolarHBondContact O-SG 2.83Å; Y124-C127 WeakPolarHBondContact O-CB 3.17Å; Y124-C127 PolarHBondContact O-N 3.43Å; T125-C127 PolarHBondContact O-N 3.44Å; C127-A131 PolarHBondContact O-N 3.07Å; C127-A131 VanDerWaalsContact O-N 3.14Å; C127-F266 VanDerWaalsContact SG-CE1 3.54Å; C127-Y267 WeakPolarHBondContact CA-OH 3.49Å; C127-Y267 WeakPolarHBondContact CB-OH 3.33Å |
| 128 | Y | 96.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 17.9 Ų | 17.9 | 22% | 0.22 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -70.1 | -37.9 | -179 | -64.6 | -49.3 | 0 | 0 | 0 | 112.5 | Y124 T125 E126 A131 A132 S163 N170 T221 | Y124-Y128 WeakPolarHBondContact O-CD2 3.47Å; Y124-Y128 PolarHBondContact O-N 3.41Å; T125-Y128 PolarHBondContact O-N 2.87Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.15Å; Y128-A131 PolarHBondContact O-N 3.34Å; Y128-A132 WeakPolarHBondContact O-CB 3.48Å; Y128-A132 PolarHBondContact O-N 3.42Å; Y128-S163 WeakPolarHBondContact CB-OG 3.2Å; Y128-N170 PolarHBondContact OH-ND2 3.39Å; Y128-T221 HydrophobicContact CE1-CG2 3.99Å; Y128-T221 HydrophobicContact CE2-CG2 4.24Å; Y128-T221 VanDerWaalsContact OH-CG2 3.26Å; Y128-T221 WeakPolarHBondContact OH-CG2 3.2Å; Y128-T221 PolarHBondContact OH-OG1 3.48Å |
| 129 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.5 | -74.2 | -179 | 0 | 0 | 0 | 111.9 | F77 N80 L84 T125 E126 A131 A132 M133 V160 | F77-L129 HydrophobicContact CD1-CD2 4.14Å; N80-L129 HydrophobicContact CB-CD1 3.93Å; N80-L129 HydrophobicContact CB-CD2 4.49Å; L84-L129 HydrophobicContact CD1-CD1 3.55Å; L84-L129 HydrophobicContact CG-CD1 4.41Å; T125-L129 HydrophobicContact CG2-CD1 4.25Å; T125-L129 HydrophobicContact CG2-CG 4.33Å; T125-L129 WeakPolarHBondContact O-CG 3.28Å; T125-L129 PolarHBondContact O-N 3.05Å; E126-L129 PolarHBondContact O-N 3.28Å; L129-A131 VanDerWaalsContact C-N 3.28Å; L129-A131 PolarHBondContact O-N 3.24Å; L129-A132 PolarHBondContact O-N 3Å; L129-A132 VanDerWaalsContact O-N 3.16Å; L129-M133 WeakPolarHBondContact O-CB 3.33Å; L129-M133 WeakPolarHBondContact O-CG 3.44Å; L129-M133 PolarHBondContact O-N 3.22Å; L129-V160 HydrophobicContact CD2-CG2 3.98Å |
| 130 | L | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62 | -37.2 | 175.2 | -69.8 | 175.1 | 0 | 0 | 0 | 111.6 | L81 E126 M133 A134 I229 H259 V263 F266 Y267 | L81-L130 HydrophobicContact CD2-CD2 4.41Å; E126-L130 HydrophobicContact CG-CD1 4.08Å; E126-L130 HydrophobicContact CG-CG 4.31Å; E126-L130 WeakPolarHBondContact O-CB 3.31Å; E126-L130 VanDerWaalsContact O-CG 3.31Å; E126-L130 WeakPolarHBondContact O-CG 3.3Å; E126-L130 PolarHBondContact O-N 3.39Å; L130-M133 HydrophobicContact CD2-SD 4.38Å; L130-M133 PolarHBondContact O-N 2.99Å; L130-A134 PolarHBondContact O-N 2.77Å; L130-I229 HydrophobicContact CB-CD1 4.14Å; L130-H259 PolarHBondContact O-CE1 3.4Å; L130-H259 VanDerWaalsContact O-CE1 3.23Å; L130-H259 PolarHBondContact O-NE2 2.89Å; L130-H259 VanDerWaalsContact O-NE2 3.13Å; L130-V263 HydrophobicContact CB-CG2 4.37Å; L130-V263 HydrophobicContact CD2-CG2 4.18Å; L130-F266 HydrophobicContact CD1-CB 3.95Å; L130-F266 HydrophobicContact CD1-CD1 3.63Å; L130-F266 HydrophobicContact CD1-CE1 4.33Å; L130-F266 HydrophobicContact CD1-CG 3.88Å; L130-Y267 HydrophobicContact CD1-CD2 4.49Å; L130-Y267 HydrophobicContact CD1-CE2 4.01Å |
| 131 | A | 96.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 16.7 Ų | 16.7 | 12% | 0.124 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C127 Y128 L129 M133 A134 Y135 A228 I229 | C127-A131 PolarHBondContact O-N 3.07Å; C127-A131 VanDerWaalsContact O-N 3.14Å; Y128-A131 PolarHBondContact O-N 3.34Å; L129-A131 VanDerWaalsContact C-N 3.28Å; L129-A131 PolarHBondContact O-N 3.24Å; A131-M133 VanDerWaalsContact C-N 3.33Å; A131-M133 PolarHBondContact O-N 3.47Å; A131-A134 WeakPolarHBondContact O-CB 3.33Å; A131-A134 PolarHBondContact O-N 2.99Å; A131-Y135 PolarHBondContact O-N 3.35Å; A131-A228 HydrophobicContact CB-CB 4.26Å; A131-I229 HydrophobicContact CB-CG1 4.23Å |
| 132 | A | 96.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 6% | 0.058 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | F77 Y128 L129 Y135 D136 L159 | F77-A132 HydrophobicContact CD1-CB 4.23Å; F77-A132 HydrophobicContact CE1-CB 3.78Å; F77-A132 HydrophobicContact CZ-CB 4.13Å; Y128-A132 WeakPolarHBondContact O-CB 3.48Å; Y128-A132 PolarHBondContact O-N 3.42Å; L129-A132 PolarHBondContact O-N 3Å; L129-A132 VanDerWaalsContact O-N 3.16Å; A132-Y135 WeakPolarHBondContact O-CB 3.26Å; A132-Y135 PolarHBondContact O-N 2.99Å; A132-D136 PolarHBondContact O-N 2.88Å; A132-L159 HydrophobicContact CB-CB 4.31Å; A132-L159 HydrophobicContact CB-CD1 4.44Å |
| 133 | M | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 174.1 | -70.3 | 168.7 | 78.5 | 0 | 0 | 111.8 | M74 F77 I78 L81 L129 L130 A131 Y135 D136 R137 H259 Y305 | M74-M133 HydrophobicContact CE-CE 3.34Å; M74-M133 HydrophobicContact SD-CE 4.22Å; F77-M133 HydrophobicContact CB-CG 3.4Å; F77-M133 VanDerWaalsContact CB-CG 3.4Å; F77-M133 HydrophobicContact CB-SD 4.01Å; F77-M133 HydrophobicContact CD2-CG 4.26Å; F77-M133 HydrophobicContact CG-CG 3.9Å; I78-M133 HydrophobicContact CG1-CE 3.76Å; L81-M133 HydrophobicContact CD2-CE 4.37Å; L81-M133 HydrophobicContact CD2-SD 4.23Å; L129-M133 WeakPolarHBondContact O-CB 3.33Å; L129-M133 WeakPolarHBondContact O-CG 3.44Å; L129-M133 PolarHBondContact O-N 3.22Å; L130-M133 HydrophobicContact CD2-SD 4.38Å; L130-M133 PolarHBondContact O-N 2.99Å; A131-M133 VanDerWaalsContact C-N 3.33Å; A131-M133 PolarHBondContact O-N 3.47Å; M133-Y135 VanDerWaalsContact C-N 3.29Å; M133-Y135 PolarHBondContact O-N 2.75Å; M133-D136 WeakPolarHBondContact O-CB 3.4Å; M133-D136 PolarHBondContact O-N 2.65Å; M133-R137 WeakPolarHBondContact O-CG 3.5Å; M133-R137 PolarHBondContact O-N 3.13Å; M133-H259 WeakPolarHBondContact CB-NE2 3.44Å; M133-Y305 HydrophobicContact CE-CE1 3.8Å; M133-Y305 VanDerWaalsContact CE-OH 3.31Å; M133-Y305 WeakPolarHBondContact CE-OH 3.1Å |
| 134 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L130 A131 R137 H138 I229 Y233 H259 | L130-A134 PolarHBondContact O-N 2.77Å; A131-A134 WeakPolarHBondContact O-CB 3.33Å; A131-A134 PolarHBondContact O-N 2.99Å; A134-R137 PolarHBondContact O-N 3.25Å; A134-H138 WeakPolarHBondContact O-CB 3.49Å; A134-H138 PolarHBondContact O-N 3.36Å; A134-I229 HydrophobicContact CB-CB 4.27Å; A134-I229 HydrophobicContact CB-CG1 3.96Å; A134-I229 HydrophobicContact CB-CG2 4.32Å; A134-Y233 HydrophobicContact CB-CD2 4.36Å; A134-Y233 HydrophobicContact CB-CE2 4.02Å; A134-H259 PolarHBondContact N-CE1 3.2Å |
| 135 | Y | 95.6 | Very high | 93.7 | Very high | 91 Ų | 91 | 32.6 Ų | 32.6 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 176 | -178.9 | -115.6 | 0 | 0 | 0 | 112.4 | A131 A132 M133 R137 H138 A139 M151 L155 L159 | A131-Y135 PolarHBondContact O-N 3.35Å; A132-Y135 WeakPolarHBondContact O-CB 3.26Å; A132-Y135 PolarHBondContact O-N 2.99Å; M133-Y135 VanDerWaalsContact C-N 3.29Å; M133-Y135 PolarHBondContact O-N 2.75Å; Y135-R137 PolarHBondContact O-N 3.25Å; Y135-H138 WeakPolarHBondContact O-CB 3.22Å; Y135-H138 PolarHBondContact O-N 3.45Å; Y135-A139 PolarHBondContact O-N 3.48Å; Y135-M151 HydrophobicContact CD1-CE 3.18Å; Y135-M151 HydrophobicContact CD1-SD 4.42Å; Y135-M151 HydrophobicContact CE1-CE 3.19Å; Y135-M151 HydrophobicContact CE1-SD 4.35Å; Y135-M151 HydrophobicContact CG-CE 3.96Å; Y135-L155 HydrophobicContact CE1-CD2 4.28Å; Y135-L159 HydrophobicContact CD1-CD1 4.32Å |
| 136 | D | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.7 | -52.1 | 170.3 | 172.4 | 77.5 | 0 | 0 | 0 | 111.6 | P73 F77 A132 M133 H138 A139 A140 Y147 M151 | P73-D136 WeakPolarHBondContact CB-OD1 3.38Å; F77-D136 HydrophobicContact CD2-CB 4.41Å; F77-D136 HydrophobicContact CE2-CB 4.13Å; A132-D136 PolarHBondContact O-N 2.88Å; M133-D136 WeakPolarHBondContact O-CB 3.4Å; M133-D136 PolarHBondContact O-N 2.65Å; D136-H138 VanDerWaalsContact C-N 3.28Å; D136-H138 PolarHBondContact O-N 2.99Å; D136-A139 PolarHBondContact O-N 2.89Å; D136-A140 WeakPolarHBondContact O-CB 3.41Å; D136-A140 PolarHBondContact O-N 3.4Å; D136-Y147 WeakPolarHBondContact OD1-CE2 3.31Å; D136-Y147 PolarHBondContact OD1-OH 3.2Å; D136-M151 VanDerWaalsContact CA-CE 3.5Å; D136-M151 HydrophobicContact CB-CE 4.36Å |
| 137 | R | 94 | Very high | 93.3 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 178.4 | -65.6 | -45.8 | -163.8 | -170.6 | 7.6 | 112.1 | M74 M133 A134 Y135 A140 I141 I236 T255 | M74-R137 PolarHBondContact SD-NE 3.4Å; M74-R137 VanDerWaalsContact SD-NE 3.42Å; M133-R137 WeakPolarHBondContact O-CG 3.5Å; M133-R137 PolarHBondContact O-N 3.13Å; A134-R137 PolarHBondContact O-N 3.25Å; Y135-R137 PolarHBondContact O-N 3.25Å; R137-A140 PolarHBondContact O-N 3.29Å; R137-I141 WeakPolarHBondContact O-CB 3.47Å; R137-I141 WeakPolarHBondContact O-CG1 3.22Å; R137-I141 PolarHBondContact O-N 2.89Å; R137-I141 VanDerWaalsContact O-N 3.08Å; R137-I236 HydrophobicContact CB-CD1 3.85Å; R137-T255 PolarHBondContact NE-O 3.46Å; R137-T255 PolarHBondContact NH2-O 2.85Å; R137-T255 VanDerWaalsContact NH2-O 3.11Å |
| 138 | H | 94.4 | Very high | 92.9 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -51.4 | 176 | 172.3 | 15 | 0 | 0 | 0 | 110.9 | A134 Y135 D136 A140 I141 C142 I236 | A134-H138 WeakPolarHBondContact O-CB 3.49Å; A134-H138 PolarHBondContact O-N 3.36Å; Y135-H138 WeakPolarHBondContact O-CB 3.22Å; Y135-H138 PolarHBondContact O-N 3.45Å; D136-H138 VanDerWaalsContact C-N 3.28Å; D136-H138 PolarHBondContact O-N 2.99Å; H138-A140 VanDerWaalsContact C-N 3.31Å; H138-A140 PolarHBondContact O-N 3.14Å; H138-I141 PolarHBondContact O-N 3.27Å; H138-C142 VanDerWaalsContact CE1-SG 3.58Å; H138-C142 VanDerWaalsContact ND1-CB 3.35Å; H138-C142 WeakPolarHBondContact ND1-CB 3.42Å; H138-C142 PolarHBondContact ND1-SG 3.24Å; H138-C142 VanDerWaalsContact O-CB 3.26Å; H138-C142 WeakPolarHBondContact O-CB 3.41Å; H138-C142 PolarHBondContact O-N 3.23Å; H138-I236 HydrophobicContact CB-CD1 4.22Å; H138-I236 HydrophobicContact CB-CG1 4.2Å |
| 139 | A | 93.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y135 D136 I141 N143 Y147 M151 | Y135-A139 PolarHBondContact O-N 3.48Å; D136-A139 PolarHBondContact O-N 2.89Å; A139-I141 PolarHBondContact O-N 3.45Å; A139-N143 CarbonylContact O-C 3.56Å; A139-N143 VanDerWaalsContact O-C 3.29Å; A139-N143 WeakPolarHBondContact O-CA 3.27Å; A139-N143 PolarHBondContact O-N 3.29Å; A139-N143 VanDerWaalsContact O-N 3.11Å; A139-Y147 HydrophobicContact CB-CD2 4.01Å; A139-Y147 HydrophobicContact CB-CE2 4.45Å; A139-M151 HydrophobicContact CB-CE 3.58Å; A139-M151 HydrophobicContact CB-CG 4.14Å |
| 140 | A | 92.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | D136 R137 H138 Y147 | D136-A140 WeakPolarHBondContact O-CB 3.41Å; D136-A140 PolarHBondContact O-N 3.4Å; R137-A140 PolarHBondContact O-N 3.29Å; H138-A140 VanDerWaalsContact C-N 3.31Å; H138-A140 PolarHBondContact O-N 3.14Å; A140-Y147 VanDerWaalsContact CA-CD2 3.44Å; A140-Y147 HydrophobicContact CB-CD2 3.78Å; A140-Y147 HydrophobicContact CB-CE2 3.65Å; A140-Y147 HydrophobicContact CB-CG 4.43Å |
| 141 | I | 91 | Very high | 92 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -91.8 | -42.9 | -174.5 | -65.1 | 172.3 | 0 | 0 | 0 | 111.9 | R137 H138 A139 I236 A239 I240 C256 | R137-I141 WeakPolarHBondContact O-CB 3.47Å; R137-I141 WeakPolarHBondContact O-CG1 3.22Å; R137-I141 PolarHBondContact O-N 2.89Å; R137-I141 VanDerWaalsContact O-N 3.08Å; H138-I141 PolarHBondContact O-N 3.27Å; A139-I141 PolarHBondContact O-N 3.45Å; I141-I236 HydrophobicContact CD1-CG2 3.79Å; I141-I236 HydrophobicContact CG2-CG2 4.32Å; I141-A239 HydrophobicContact CG2-CB 4.26Å; I141-I240 HydrophobicContact CG2-CG1 4.31Å; I141-C256 WeakPolarHBondContact CD1-SG 3.38Å |
| 142 | C | 90.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -83.5 | -28.4 | -174.4 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | H138 N235 A239 | H138-C142 VanDerWaalsContact CE1-SG 3.58Å; H138-C142 VanDerWaalsContact ND1-CB 3.35Å; H138-C142 WeakPolarHBondContact ND1-CB 3.42Å; H138-C142 PolarHBondContact ND1-SG 3.24Å; H138-C142 VanDerWaalsContact O-CB 3.26Å; H138-C142 WeakPolarHBondContact O-CB 3.41Å; H138-C142 PolarHBondContact O-N 3.23Å; C142-N235 PolarHBondContact SG-O 2.96Å; C142-A239 HydrophobicContact CB-CB 4.43Å |
| 143 | N | 89.2 | Confident | 91.6 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | trans | -133.7 | 56.9 | -176.8 | -61.9 | -64.7 | 0 | 0 | 0 | 112.1 | A139 L145 L146 Y147 | A139-N143 CarbonylContact O-C 3.56Å; A139-N143 VanDerWaalsContact O-C 3.29Å; A139-N143 WeakPolarHBondContact O-CA 3.27Å; A139-N143 PolarHBondContact O-N 3.29Å; A139-N143 VanDerWaalsContact O-N 3.11Å; N143-L145 VanDerWaalsContact C-N 3.28Å; N143-L145 PolarHBondContact O-N 3.19Å; N143-L146 PolarHBondContact O-N 3.21Å; N143-L146 VanDerWaalsContact O-N 3.08Å; N143-Y147 PolarHBondContact O-N 2.87Å; N143-Y147 VanDerWaalsContact O-N 3.1Å | ||
| 144 | P | 86.5 | Confident | 91.5 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 58% | 0.578 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -33.7 | -170.7 | 23.7 | -34.3 | 0 | 0 | 0 | 113.9 | L146 Y147 | P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 2.87Å; P144-Y147 PolarHBondContact O-N 3.42Å |
| 145 | L | 89.3 | Confident | 91.4 | Very high | 169 Ų | 169 | 60.4 Ų | 60.4 | 89% | 0.885 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28.9 | 179.7 | -64.6 | 176.4 | 0 | 0 | 0 | 113.2 | N143 | N143-L145 VanDerWaalsContact C-N 3.28Å; N143-L145 PolarHBondContact O-N 3.19Å |
| 146 | L | 90.5 | Very high | 91.4 | Very high | 111 Ų | 111 | 56.2 Ų | 56.2 | 58% | 0.581 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -6.8 | -178.5 | -62.5 | 175.4 | 0 | 0 | 0 | 112.3 | N143 P144 S148 G149 T150 | N143-L146 PolarHBondContact O-N 3.21Å; N143-L146 VanDerWaalsContact O-N 3.08Å; P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 2.87Å; L146-S148 VanDerWaalsContact C-N 3.35Å; L146-S148 PolarHBondContact O-N 3.46Å; L146-G149 PolarHBondContact O-N 3.29Å; L146-T150 PolarHBondContact O-N 3.05Å; L146-T150 PolarHBondContact O-OG1 3.42Å; L146-T150 VanDerWaalsContact O-OG1 3.13Å |
| 147 | Y | 90.8 | Very high | 91.4 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 14% | 0.137 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.6 | -46.8 | -171.9 | 176.1 | -106.1 | 0 | 0 | 0 | 113.5 | M72 D136 A139 A140 N143 P144 G149 T150 M151 | M72-Y147 HydrophobicContact CE-CE1 4.13Å; D136-Y147 WeakPolarHBondContact OD1-CE2 3.31Å; D136-Y147 PolarHBondContact OD1-OH 3.2Å; A139-Y147 HydrophobicContact CB-CD2 4.01Å; A139-Y147 HydrophobicContact CB-CE2 4.45Å; A140-Y147 VanDerWaalsContact CA-CD2 3.44Å; A140-Y147 HydrophobicContact CB-CD2 3.78Å; A140-Y147 HydrophobicContact CB-CE2 3.65Å; A140-Y147 HydrophobicContact CB-CG 4.43Å; N143-Y147 PolarHBondContact O-N 2.87Å; N143-Y147 VanDerWaalsContact O-N 3.1Å; P144-Y147 PolarHBondContact O-N 3.42Å; Y147-G149 VanDerWaalsContact C-N 3.28Å; Y147-G149 PolarHBondContact O-N 3.32Å; Y147-T150 PolarHBondContact O-N 2.93Å; Y147-M151 HydrophobicContact CD2-CB 4.22Å; Y147-M151 HydrophobicContact CD2-CG 3.89Å; Y147-M151 HydrophobicContact CE2-CB 3.85Å; Y147-M151 HydrophobicContact CE2-CG 3.52Å; Y147-M151 PolarHBondContact O-N 3.45Å |
| 148 | S | 85.8 | Confident | 91.6 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 74% | 0.741 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.2 | -28.6 | -178 | 83.2 | 0 | 0 | 0 | 0 | 113.5 | L146 | L146-S148 VanDerWaalsContact C-N 3.35Å; L146-S148 PolarHBondContact O-N 3.46Å |
| 149 | G | 87.2 | Confident | 91.7 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -79.5 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L146 Y147 | L146-G149 PolarHBondContact O-N 3.29Å; Y147-G149 VanDerWaalsContact C-N 3.28Å; Y147-G149 PolarHBondContact O-N 3.32Å |
| 150 | T | 88.6 | Confident | 91.9 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.2 | -51.3 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | L146 Y147 S152 L155 | L146-T150 PolarHBondContact O-N 3.05Å; L146-T150 PolarHBondContact O-OG1 3.42Å; L146-T150 VanDerWaalsContact O-OG1 3.13Å; Y147-T150 PolarHBondContact O-N 2.93Å; T150-S152 VanDerWaalsContact C-N 3.27Å; T150-S152 PolarHBondContact O-N 2.98Å; T150-S152 VanDerWaalsContact O-N 3.13Å; T150-L155 WeakPolarHBondContact O-CD2 3.28Å |
| 151 | M | 92.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.034 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -90.6 | 58.4 | -179.3 | -69.7 | -68 | 169.6 | 0 | 0 | 111.5 | P73 Y135 D136 A139 Y147 L155 | P73-M151 HydrophobicContact CB-CB 4.25Å; P73-M151 HydrophobicContact CG-CB 3.89Å; Y135-M151 HydrophobicContact CD1-CE 3.18Å; Y135-M151 HydrophobicContact CD1-SD 4.42Å; Y135-M151 HydrophobicContact CE1-CE 3.19Å; Y135-M151 HydrophobicContact CE1-SD 4.35Å; Y135-M151 HydrophobicContact CG-CE 3.96Å; D136-M151 VanDerWaalsContact CA-CE 3.5Å; D136-M151 HydrophobicContact CB-CE 4.36Å; A139-M151 HydrophobicContact CB-CE 3.58Å; A139-M151 HydrophobicContact CB-CG 4.14Å; Y147-M151 HydrophobicContact CD2-CB 4.22Å; Y147-M151 HydrophobicContact CD2-CG 3.89Å; Y147-M151 HydrophobicContact CE2-CB 3.85Å; Y147-M151 HydrophobicContact CE2-CG 3.52Å; Y147-M151 PolarHBondContact O-N 3.45Å; M151-L155 HydrophobicContact SD-CD2 4.33Å |
| 152 | S | 92.9 | Very high | 92.5 | Very high | 46 Ų | 46 | 62 Ų | 62 | 32% | 0.322 | 41% | 0.406 | S | S | . | . | trans | -68.5 | 155 | 174 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | T150 A154 L155 C156 | T150-S152 VanDerWaalsContact C-N 3.27Å; T150-S152 PolarHBondContact O-N 2.98Å; T150-S152 VanDerWaalsContact O-N 3.13Å; S152-A154 PolarHBondContact O-N 2.89Å; S152-L155 PolarHBondContact O-N 3.39Å; S152-L155 PolarHBondContact OG-N 3.21Å; S152-C156 PolarHBondContact O-N 2.81Å; S152-C156 PolarHBondContact O-SG 2.93Å; S152-C156 VanDerWaalsContact O-SG 3.34Å | ||
| 153 | T | 90.7 | Very high | 92.8 | Very high | 116 Ų | 116 | 60.7 Ų | 60.7 | 71% | 0.712 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -54.6 | -36.1 | 175.2 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | T157 | T153-T157 VanDerWaalsContact O-CB 3.29Å; T153-T157 WeakPolarHBondContact O-CB 3.2Å; T153-T157 PolarHBondContact O-N 3.31Å; T153-T157 PolarHBondContact O-OG1 3.43Å |
| 154 | A | 93.9 | Very high | 93.2 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 65% | 0.645 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | S152 T157 G158 | S152-A154 PolarHBondContact O-N 2.89Å; A154-T157 PolarHBondContact O-N 3.26Å; A154-G158 PolarHBondContact O-N 2.77Å |
| 155 | L | 95.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 32% | 0.319 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 176.4 | -179.7 | 62.9 | 0 | 0 | 0 | 111.1 | Y135 T150 M151 S152 T157 G158 L159 | Y135-L155 HydrophobicContact CE1-CD2 4.28Å; T150-L155 WeakPolarHBondContact O-CD2 3.28Å; M151-L155 HydrophobicContact SD-CD2 4.33Å; S152-L155 PolarHBondContact O-N 3.39Å; S152-L155 PolarHBondContact OG-N 3.21Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 3Å; L155-G158 PolarHBondContact O-N 3.1Å; L155-G158 VanDerWaalsContact O-N 3.15Å; L155-L159 HydrophobicContact CD1-CD1 4.32Å; L155-L159 HydrophobicContact CD1-CG 4.17Å; L155-L159 HydrophobicContact CG-CD1 3.99Å; L155-L159 HydrophobicContact CG-CG 4.29Å; L155-L159 WeakPolarHBondContact O-CG 3.47Å; L155-L159 PolarHBondContact O-N 3.43Å |
| 156 | C | 95.2 | Very high | 94 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.027 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | F76 F77 S152 L159 V160 | F76-C156 HydrophobicContact CD1-CB 3.99Å; F76-C156 HydrophobicContact CE1-CB 4.27Å; F77-C156 HydrophobicContact CZ-CB 4.22Å; S152-C156 PolarHBondContact O-N 2.81Å; S152-C156 PolarHBondContact O-SG 2.93Å; S152-C156 VanDerWaalsContact O-SG 3.34Å; C156-L159 PolarHBondContact O-N 3.03Å; C156-V160 WeakPolarHBondContact O-CG2 3.47Å; C156-V160 PolarHBondContact O-N 3.19Å |
| 157 | T | 95.2 | Very high | 94.2 | Very high | 70 Ų | 70 | 46.6 Ų | 46.6 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | T153 A154 L155 V160 A161 | T153-T157 VanDerWaalsContact O-CB 3.29Å; T153-T157 WeakPolarHBondContact O-CB 3.2Å; T153-T157 PolarHBondContact O-N 3.31Å; T153-T157 PolarHBondContact O-OG1 3.43Å; A154-T157 PolarHBondContact O-N 3.26Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 3Å; T157-V160 PolarHBondContact O-N 3.26Å; T157-A161 VanDerWaalsContact O-CB 3.29Å; T157-A161 WeakPolarHBondContact O-CB 3.23Å; T157-A161 PolarHBondContact O-N 3.36Å |
| 158 | G | 97.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A154 L155 A161 G162 | A154-G158 PolarHBondContact O-N 2.77Å; L155-G158 PolarHBondContact O-N 3.1Å; L155-G158 VanDerWaalsContact O-N 3.15Å; G158-A161 PolarHBondContact O-N 3.06Å; G158-G162 PolarHBondContact O-N 3.45Å |
| 159 | L | 97.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.4 | -72.5 | 171.6 | 0 | 0 | 0 | 111.6 | F77 A132 Y135 L155 C156 S163 | F77-L159 HydrophobicContact CE1-CB 4.03Å; F77-L159 HydrophobicContact CZ-CB 4.24Å; F77-L159 HydrophobicContact CZ-CD1 3.96Å; A132-L159 HydrophobicContact CB-CB 4.31Å; A132-L159 HydrophobicContact CB-CD1 4.44Å; Y135-L159 HydrophobicContact CD1-CD1 4.32Å; L155-L159 HydrophobicContact CD1-CD1 4.32Å; L155-L159 HydrophobicContact CD1-CG 4.17Å; L155-L159 HydrophobicContact CG-CD1 3.99Å; L155-L159 HydrophobicContact CG-CG 4.29Å; L155-L159 WeakPolarHBondContact O-CG 3.47Å; L155-L159 PolarHBondContact O-N 3.43Å; C156-L159 PolarHBondContact O-N 3.03Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 2.91Å; L159-S163 PolarHBondContact O-OG 2.92Å |
| 160 | V | 97.4 | Very high | 95 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -50.5 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | F76 F77 N80 L129 C156 T157 G162 S163 Y164 | F76-V160 HydrophobicContact CD1-CG2 3.95Å; F76-V160 HydrophobicContact CE1-CB 4.04Å; F76-V160 HydrophobicContact CE1-CG2 3.42Å; F76-V160 VanDerWaalsContact CE1-CG2 3.42Å; F76-V160 HydrophobicContact CZ-CB 4.49Å; F76-V160 HydrophobicContact CZ-CG2 4.2Å; F77-V160 HydrophobicContact CD1-CG2 3.69Å; F77-V160 HydrophobicContact CE1-CG2 3.72Å; N80-V160 HydrophobicContact CB-CG1 4.43Å; N80-V160 WeakPolarHBondContact OD1-CG1 3.2Å; L129-V160 HydrophobicContact CD2-CG2 3.98Å; C156-V160 WeakPolarHBondContact O-CG2 3.47Å; C156-V160 PolarHBondContact O-N 3.19Å; T157-V160 PolarHBondContact O-N 3.26Å; V160-G162 VanDerWaalsContact C-N 3.33Å; V160-G162 PolarHBondContact O-N 3.4Å; V160-S163 WeakPolarHBondContact O-CB 3.47Å; V160-S163 PolarHBondContact O-N 3.44Å; V160-S163 VanDerWaalsContact O-N 3.09Å; V160-Y164 HydrophobicContact CG1-CD2 3.85Å; V160-Y164 HydrophobicContact CG1-CE2 3.7Å; V160-Y164 VanDerWaalsContact O-CD2 3.3Å; V160-Y164 WeakPolarHBondContact O-CD2 3.42Å; V160-Y164 PolarHBondContact O-N 2.93Å |
| 161 | A | 97.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | T157 G158 S163 Y164 I165 | T157-A161 VanDerWaalsContact O-CB 3.29Å; T157-A161 WeakPolarHBondContact O-CB 3.23Å; T157-A161 PolarHBondContact O-N 3.36Å; G158-A161 PolarHBondContact O-N 3.06Å; A161-S163 VanDerWaalsContact C-N 3.31Å; A161-S163 PolarHBondContact O-N 3.48Å; A161-Y164 PolarHBondContact O-N 3.39Å; A161-I165 WeakPolarHBondContact O-CB 3.38Å; A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.49Å; A161-I165 PolarHBondContact O-N 3.41Å |
| 162 | G | 97.4 | Very high | 95.1 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G158 V160 I165 G166 | G158-G162 PolarHBondContact O-N 3.45Å; V160-G162 VanDerWaalsContact C-N 3.33Å; V160-G162 PolarHBondContact O-N 3.4Å; G162-I165 PolarHBondContact O-N 2.99Å; G162-G166 PolarHBondContact O-N 3.43Å |
| 163 | S | 97.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.1 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | Y128 L159 V160 A161 G167 | Y128-S163 WeakPolarHBondContact CB-OG 3.2Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 2.91Å; L159-S163 PolarHBondContact O-OG 2.92Å; V160-S163 WeakPolarHBondContact O-CB 3.47Å; V160-S163 PolarHBondContact O-N 3.44Å; V160-S163 VanDerWaalsContact O-N 3.09Å; A161-S163 VanDerWaalsContact C-N 3.31Å; A161-S163 PolarHBondContact O-N 3.48Å; S163-G167 PolarHBondContact O-N 3.46Å |
| 164 | Y | 97.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 177.1 | -81 | -81.9 | 0 | 0 | 0 | 111.6 | F83 L84 W87 T125 V160 A161 G166 G167 F168 | F83-Y164 WeakPolarHBondContact CD1-OH 3.39Å; L84-Y164 HydrophobicContact CD2-CE1 3.71Å; W87-Y164 HydrophobicContact CZ3-CE1 4.4Å; T125-Y164 HydrophobicContact CG2-CD1 3.83Å; T125-Y164 HydrophobicContact CG2-CD2 4.11Å; T125-Y164 HydrophobicContact CG2-CE1 4.01Å; T125-Y164 HydrophobicContact CG2-CE2 4.26Å; T125-Y164 HydrophobicContact CG2-CG 3.89Å; V160-Y164 HydrophobicContact CG1-CD2 3.85Å; V160-Y164 HydrophobicContact CG1-CE2 3.7Å; V160-Y164 VanDerWaalsContact O-CD2 3.3Å; V160-Y164 WeakPolarHBondContact O-CD2 3.42Å; V160-Y164 PolarHBondContact O-N 2.93Å; A161-Y164 PolarHBondContact O-N 3.39Å; Y164-G166 VanDerWaalsContact C-N 3.35Å; Y164-G166 PolarHBondContact O-N 3.36Å; Y164-G167 WeakPolarHBondContact O-CA 3.26Å; Y164-G167 PolarHBondContact O-N 2.93Å; Y164-G167 VanDerWaalsContact O-N 3.12Å; Y164-F168 HydrophobicContact CD1-CE2 4.47Å; Y164-F168 WeakPolarHBondContact O-CD2 3.39Å; Y164-F168 PolarHBondContact O-N 3.07Å |
| 165 | I | 97.3 | Very high | 94.4 | Very high | 104 Ų | 104 | 40.3 Ų | 40.3 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 179.3 | -68 | 164.5 | 0 | 0 | 0 | 110.3 | A161 G162 G167 F168 L169 | A161-I165 WeakPolarHBondContact O-CB 3.38Å; A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.49Å; A161-I165 PolarHBondContact O-N 3.41Å; G162-I165 PolarHBondContact O-N 2.99Å; I165-G167 VanDerWaalsContact C-N 3.31Å; I165-G167 PolarHBondContact O-N 3.34Å; I165-F168 PolarHBondContact O-N 3.28Å; I165-L169 HydrophobicContact CG2-CD1 4.02Å; I165-L169 HydrophobicContact CG2-CG 4.48Å; I165-L169 WeakPolarHBondContact O-CG 3.22Å; I165-L169 PolarHBondContact O-N 2.96Å |
| 166 | G | 94.8 | Very high | 94 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G162 Y164 L169 N170 | G162-G166 PolarHBondContact O-N 3.43Å; Y164-G166 VanDerWaalsContact C-N 3.35Å; Y164-G166 PolarHBondContact O-N 3.36Å; G166-L169 PolarHBondContact O-N 2.95Å; G166-N170 WeakPolarHBondContact O-CB 3.46Å; G166-N170 PolarHBondContact O-N 3.03Å; G166-N170 PolarHBondContact O-ND2 3.38Å |
| 167 | G | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S163 Y164 I165 A171 | S163-G167 PolarHBondContact O-N 3.46Å; Y164-G167 WeakPolarHBondContact O-CA 3.26Å; Y164-G167 PolarHBondContact O-N 2.93Å; Y164-G167 VanDerWaalsContact O-N 3.12Å; I165-G167 VanDerWaalsContact C-N 3.31Å; I165-G167 PolarHBondContact O-N 3.34Å; G167-A171 VanDerWaalsContact O-CB 3.26Å; G167-A171 WeakPolarHBondContact O-CB 3.2Å; G167-A171 PolarHBondContact O-N 3.45Å |
| 168 | F | 95.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 174.5 | -83.8 | -72.3 | 0 | 0 | 0 | 112.5 | W87 F117 V121 Y164 I165 N170 A171 I172 | W87-F168 HydrophobicContact CH2-CZ 4.04Å; F117-F168 HydrophobicContact CE1-CD1 4.45Å; F117-F168 HydrophobicContact CE1-CE1 4.36Å; F117-F168 AromaticContact CZ-CD1 3.95Å; F117-F168 HydrophobicContact CZ-CD1 3.95Å; F117-F168 HydrophobicContact CZ-CE1 4.3Å; V121-F168 HydrophobicContact CG1-CD1 4.11Å; V121-F168 HydrophobicContact CG1-CD2 4.26Å; V121-F168 HydrophobicContact CG1-CE1 3.96Å; V121-F168 HydrophobicContact CG1-CE2 4.09Å; V121-F168 HydrophobicContact CG1-CG 4.26Å; V121-F168 HydrophobicContact CG1-CZ 3.94Å; V121-F168 HydrophobicContact CG2-CD1 3.64Å; V121-F168 HydrophobicContact CG2-CE1 3.85Å; V121-F168 HydrophobicContact CG2-CG 4.31Å; Y164-F168 HydrophobicContact CD1-CE2 4.47Å; Y164-F168 WeakPolarHBondContact O-CD2 3.39Å; Y164-F168 PolarHBondContact O-N 3.07Å; I165-F168 PolarHBondContact O-N 3.28Å; F168-N170 PolarHBondContact O-N 3.09Å; F168-A171 PolarHBondContact O-N 3.31Å; F168-I172 VanDerWaalsContact O-CG1 3.3Å; F168-I172 WeakPolarHBondContact O-CG1 3.42Å; F168-I172 PolarHBondContact O-N 3.01Å |
| 169 | L | 93.8 | Very high | 92 | Very high | 108 Ų | 108 | 38.5 Ų | 38.5 | 57% | 0.565 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.6 | -44.3 | -179.3 | -69.4 | 173.8 | 0 | 0 | 0 | 112 | I165 G166 I172 A173 | I165-L169 HydrophobicContact CG2-CD1 4.02Å; I165-L169 HydrophobicContact CG2-CG 4.48Å; I165-L169 WeakPolarHBondContact O-CG 3.22Å; I165-L169 PolarHBondContact O-N 2.96Å; G166-L169 PolarHBondContact O-N 2.95Å; L169-I172 PolarHBondContact O-N 3.21Å; L169-A173 PolarHBondContact O-N 3.37Å; L169-A173 VanDerWaalsContact O-N 3.07Å |
| 170 | N | 92.1 | Very high | 91.2 | Very high | 18 Ų | 18 | 41 Ų | 41 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.4 | -79.6 | -87.1 | 0 | 0 | 0 | 111.2 | Y124 Y128 G166 F168 I172 A173 H174 V217 T221 | Y124-N170 HydrophobicContact CD1-CB 3.99Å; Y124-N170 HydrophobicContact CD2-CB 3.4Å; Y124-N170 VanDerWaalsContact CD2-CB 3.4Å; Y124-N170 HydrophobicContact CE1-CB 4.19Å; Y124-N170 HydrophobicContact CE2-CB 3.65Å; Y124-N170 HydrophobicContact CG-CB 3.61Å; Y128-N170 PolarHBondContact OH-ND2 3.39Å; G166-N170 WeakPolarHBondContact O-CB 3.46Å; G166-N170 PolarHBondContact O-N 3.03Å; G166-N170 PolarHBondContact O-ND2 3.38Å; F168-N170 PolarHBondContact O-N 3.09Å; N170-I172 PolarHBondContact O-N 3.22Å; N170-A173 PolarHBondContact O-N 2.88Å; N170-H174 WeakPolarHBondContact O-CB 3.4Å; N170-H174 PolarHBondContact O-N 3.1Å; N170-V217 WeakPolarHBondContact OD1-CG1 3.39Å; N170-T221 PolarHBondContact OD1-OG1 3.07Å |
| 171 | A | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | F117 C120 V121 G167 F168 T175 | F117-A171 HydrophobicContact CD2-CB 4.04Å; F117-A171 HydrophobicContact CE2-CB 3.94Å; C120-A171 HydrophobicContact CB-CB 3.67Å; V121-A171 HydrophobicContact CB-CB 4.25Å; V121-A171 HydrophobicContact CG2-CB 3.42Å; V121-A171 VanDerWaalsContact CG2-CB 3.42Å; G167-A171 VanDerWaalsContact O-CB 3.26Å; G167-A171 WeakPolarHBondContact O-CB 3.2Å; G167-A171 PolarHBondContact O-N 3.45Å; F168-A171 PolarHBondContact O-N 3.31Å; A171-T175 VanDerWaalsContact O-CB 3.22Å; A171-T175 WeakPolarHBondContact O-CB 3.34Å; A171-T175 PolarHBondContact O-N 3.36Å; A171-T175 PolarHBondContact O-OG1 3.07Å |
| 172 | I | 91.6 | Very high | 89.1 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -53.6 | 173.1 | -67.7 | 168.8 | 0 | 0 | 0 | 109.5 | F117 F168 L169 N170 H174 T175 A176 | F117-I172 HydrophobicContact CE2-CG1 3.69Å; F117-I172 HydrophobicContact CZ-CG1 4.29Å; F168-I172 VanDerWaalsContact O-CG1 3.3Å; F168-I172 WeakPolarHBondContact O-CG1 3.42Å; F168-I172 PolarHBondContact O-N 3.01Å; L169-I172 PolarHBondContact O-N 3.21Å; N170-I172 PolarHBondContact O-N 3.22Å; I172-H174 VanDerWaalsContact C-N 3.3Å; I172-H174 PolarHBondContact O-N 3.05Å; I172-T175 PolarHBondContact O-N 2.85Å; I172-A176 WeakPolarHBondContact O-CB 3.47Å; I172-A176 PolarHBondContact O-N 2.92Å |
| 173 | A | 88.7 | Confident | 88.2 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59 | -44.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L169 N170 N177 | L169-A173 PolarHBondContact O-N 3.37Å; L169-A173 VanDerWaalsContact O-N 3.07Å; N170-A173 PolarHBondContact O-N 2.88Å; A173-N177 VanDerWaalsContact O-CB 3.23Å; A173-N177 WeakPolarHBondContact O-CB 3.4Å; A173-N177 PolarHBondContact O-N 2.97Å |
| 174 | H | 87.4 | Confident | 86.9 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -49 | 179.9 | -167.1 | -71.1 | 0 | 0 | 0 | 112.1 | Y124 N170 I172 N177 T178 V196 L214 V218 | Y124-H174 HydrophobicContact CE2-CB 4.27Å; Y124-H174 PolarHBondContact OH-CD2 3.47Å; N170-H174 WeakPolarHBondContact O-CB 3.4Å; N170-H174 PolarHBondContact O-N 3.1Å; I172-H174 VanDerWaalsContact C-N 3.3Å; I172-H174 PolarHBondContact O-N 3.05Å; H174-N177 PolarHBondContact O-N 3.16Å; H174-T178 PolarHBondContact O-N 3.21Å; H174-T178 PolarHBondContact O-OG1 3.01Å; H174-V196 WeakPolarHBondContact CE1-CG2 3.22Å; H174-L214 WeakPolarHBondContact NE2-CD1 3.44Å; H174-V218 VanDerWaalsContact CD2-CG2 3.49Å; H174-V218 WeakPolarHBondContact CD2-CG2 3.2Å |
| 175 | T | 87.3 | Confident | 85.6 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.1 | -45.4 | -179.9 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | F117 A171 I172 N177 T178 F179 | F117-T175 WeakPolarHBondContact CA-OG1 3.37Å; F117-T175 HydrophobicContact CB-CG2 4.24Å; A171-T175 VanDerWaalsContact O-CB 3.22Å; A171-T175 WeakPolarHBondContact O-CB 3.34Å; A171-T175 PolarHBondContact O-N 3.36Å; A171-T175 PolarHBondContact O-OG1 3.07Å; I172-T175 PolarHBondContact O-N 2.85Å; T175-N177 VanDerWaalsContact C-N 3.33Å; T175-N177 PolarHBondContact O-N 3.39Å; T175-T178 PolarHBondContact O-N 3.03Å; T175-F179 HydrophobicContact CG2-CD2 3.67Å; T175-F179 HydrophobicContact CG2-CE2 3.91Å; T175-F179 WeakPolarHBondContact O-CD2 3.46Å; T175-F179 PolarHBondContact O-N 3.35Å |
| 176 | A | 86.2 | Confident | 84.2 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I172 T178 F179 C180 | I172-A176 WeakPolarHBondContact O-CB 3.47Å; I172-A176 PolarHBondContact O-N 2.92Å; A176-T178 VanDerWaalsContact C-N 3.33Å; A176-T178 PolarHBondContact O-N 3.18Å; A176-F179 PolarHBondContact O-N 2.97Å; A176-C180 WeakPolarHBondContact O-CB 3.1Å; A176-C180 PolarHBondContact O-N 3.37Å; A176-C180 PolarHBondContact O-SG 3.42Å |
| 177 | N | 83.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.2 | -171.2 | 48.1 | 0 | 0 | 0 | 112.1 | A173 H174 T175 Y210 V213 | A173-N177 VanDerWaalsContact O-CB 3.23Å; A173-N177 WeakPolarHBondContact O-CB 3.4Å; A173-N177 PolarHBondContact O-N 2.97Å; H174-N177 PolarHBondContact O-N 3.16Å; T175-N177 VanDerWaalsContact C-N 3.33Å; T175-N177 PolarHBondContact O-N 3.39Å; N177-Y210 HydrophobicContact CB-CD2 4.48Å; N177-Y210 WeakPolarHBondContact ND2-CD2 3.3Å; N177-Y210 WeakPolarHBondContact ND2-CE2 3.45Å; N177-Y210 PolarHBondContact ND2-O 3.38Å; N177-V213 HydrophobicContact CB-CG1 4.28Å |
| 178 | T | 82 | Confident | 82.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 176.4 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | L116 H174 T175 A176 C180 L181 F183 L199 | L116-T178 HydrophobicContact CD2-CG2 3.86Å; H174-T178 PolarHBondContact O-N 3.21Å; H174-T178 PolarHBondContact O-OG1 3.01Å; T175-T178 PolarHBondContact O-N 3.03Å; A176-T178 VanDerWaalsContact C-N 3.33Å; A176-T178 PolarHBondContact O-N 3.18Å; T178-C180 VanDerWaalsContact C-N 3.33Å; T178-C180 PolarHBondContact O-N 2.92Å; T178-L181 VanDerWaalsContact O-CB 3.31Å; T178-L181 WeakPolarHBondContact O-CB 3.1Å; T178-L181 PolarHBondContact O-N 3.33Å; T178-F183 HydrophobicContact CG2-CZ 4.28Å; T178-F183 WeakPolarHBondContact O-CZ 3.19Å; T178-L199 HydrophobicContact CG2-CB 4.34Å; T178-L199 HydrophobicContact CG2-CD1 3.98Å |
| 179 | F | 79.9 | Confident | 81 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -83.9 | -6.2 | -176.1 | -76.9 | -91.7 | 0 | 0 | 0 | 114.1 | L109 L116 T175 A176 F183 | L109-F179 HydrophobicContact CD1-CD1 4.04Å; L109-F179 HydrophobicContact CD1-CE1 3.57Å; L109-F179 HydrophobicContact CG-CD1 4.34Å; L109-F179 HydrophobicContact CG-CE1 3.98Å; L116-F179 HydrophobicContact CD2-CE2 4.04Å; T175-F179 HydrophobicContact CG2-CD2 3.67Å; T175-F179 HydrophobicContact CG2-CE2 3.91Å; T175-F179 WeakPolarHBondContact O-CD2 3.46Å; T175-F179 PolarHBondContact O-N 3.35Å; A176-F179 PolarHBondContact O-N 2.97Å; F179-F183 HydrophobicContact CD1-CE2 4.3Å |
| 180 | C | 81.5 | Confident | 79.7 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 70% | 0.703 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -18.3 | 163.4 | -76 | 0 | 0 | 0 | 0 | 112.8 | A176 T178 | A176-C180 WeakPolarHBondContact O-CB 3.1Å; A176-C180 PolarHBondContact O-N 3.37Å; A176-C180 PolarHBondContact O-SG 3.42Å; T178-C180 VanDerWaalsContact C-N 3.33Å; T178-C180 PolarHBondContact O-N 2.92Å |
| 181 | L | 76.5 | Confident | 78.7 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -70.7 | 143.4 | 174.6 | -63.4 | 174.4 | 0 | 0 | 0 | 110.9 | T178 F183 V200 Y210 | T178-L181 VanDerWaalsContact O-CB 3.31Å; T178-L181 WeakPolarHBondContact O-CB 3.1Å; T178-L181 PolarHBondContact O-N 3.33Å; L181-F183 HydrophobicContact CB-CE1 4.28Å; L181-F183 HydrophobicContact CB-CZ 4.3Å; L181-V200 HydrophobicContact CD1-CG2 4.46Å; L181-Y210 HydrophobicContact CD1-CD1 4.36Å; L181-Y210 HydrophobicContact CD1-CD2 3.74Å; L181-Y210 HydrophobicContact CD1-CE2 4.15Å; L181-Y210 HydrophobicContact CD1-CG 3.88Å; L181-Y210 HydrophobicContact CD2-CD2 4.49Å; L181-Y210 HydrophobicContact CD2-CG 4.32Å; L181-Y210 HydrophobicContact CG-CD2 4.16Å; L181-Y210 HydrophobicContact CG-CG 4.39Å |
| 182 | R | 73.9 | Confident | 77.6 | Confident | 171 Ų | 171 | 54 Ų | 54 | 65% | 0.645 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 118.1 | 167 | -61.7 | -177.9 | 175 | 170.3 | 0.5 | 109.6 | S203 C204 T205 | R182-S203 WeakPolarHBondContact O-CA 3.46Å; R182-C204 PolarHBondContact O-N 3.47Å; R182-T205 WeakPolarHBondContact CB-OG1 3.43Å; R182-T205 PolarHBondContact N-OG1 2.96Å; R182-T205 VanDerWaalsContact N-OG1 3.17Å |
| 183 | F | 77.6 | Confident | 76.6 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 11% | 0.114 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 136.4 | 173.1 | -54.2 | -68.2 | 0 | 0 | 0 | 110.2 | L24 F27 L109 T178 F179 L181 L199 M202 | L24-F183 HydrophobicContact CD2-CB 3.7Å; F27-F183 HydrophobicContact CZ-CD2 4.16Å; F27-F183 HydrophobicContact CZ-CG 4.28Å; L109-F183 HydrophobicContact CD1-CD2 4.38Å; L109-F183 HydrophobicContact CD1-CE2 4.44Å; T178-F183 HydrophobicContact CG2-CZ 4.28Å; T178-F183 WeakPolarHBondContact O-CZ 3.19Å; F179-F183 HydrophobicContact CD1-CE2 4.3Å; L181-F183 HydrophobicContact CB-CE1 4.28Å; L181-F183 HydrophobicContact CB-CZ 4.3Å; F183-L199 HydrophobicContact CE1-CB 4.04Å; F183-L199 HydrophobicContact CE1-CD2 4.22Å; F183-L199 WeakPolarHBondContact CE1-O 3.42Å; F183-L199 HydrophobicContact CZ-CB 4.44Å; F183-L199 HydrophobicContact CZ-CD2 4.3Å; F183-M202 HydrophobicContact CD1-CB 4.41Å |
| 184 | C | 70.8 | Confident | 75.9 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | trans | -144.6 | 171.4 | 169.8 | 0.1 | 0 | 0 | 0 | 0 | 111.9 | M202 C204 | C184-M202 PolarHBondContact N-O 2.86Å; C184-M202 VanDerWaalsContact N-O 3.15Å; C184-C204 VanDerWaalsContact CA-SG 3.51Å; C184-C204 HydrophobicContact CB-CB 4.32Å; C184-C204 WeakPolarHBondContact CB-SG 3.42Å; C184-C204 PolarHBondContact N-SG 2.96Å; C184-C204 VanDerWaalsContact N-SG 3.39Å; C184-C204 WeakPolarHBondContact SG-CB 3.34Å; C184-C204 CovalentContact SG-SG 2Å; C184-C204 PolarHBondContact SG-SG 3.3Å | ||
| 185 | G | 71.1 | Confident | 75.2 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 112.3 | -153.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N187 | G185-N187 PolarHBondContact O-N 3.09Å; G185-N187 PolarHBondContact O-OD1 3.45Å |
| 186 | K | 66.8 | Low | 74.4 | Confident | 185 Ų | 185 | 46.9 Ų | 46.9 | 80% | 0.804 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -81.1 | 5 | -171.7 | -63.2 | -174.3 | -179.6 | -178.8 | 0 | 114.6 | I188 | K186-I188 HydrophobicContact CB-CD1 3.98Å; K186-I188 HydrophobicContact CB-CG1 4.34Å; K186-I188 WeakPolarHBondContact O-CG1 3.35Å; K186-I188 PolarHBondContact O-N 3Å |
| 187 | N | 75.5 | Confident | 73.6 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | trans | 60.6 | 23.9 | 179.8 | -48.4 | -26.6 | 0 | 0 | 0 | 114.2 | L24 E26 F27 I28 G185 | L24-N187 HydrophobicContact CD1-CB 3.66Å; L24-N187 WeakPolarHBondContact CD1-ND2 3.42Å; L24-N187 WeakPolarHBondContact CD1-OD1 3.42Å; L24-N187 WeakPolarHBondContact CD2-OD1 3.25Å; E26-N187 WeakPolarHBondContact O-CB 3.2Å; F27-N187 CarbonylContact C-O 3.57Å; F27-N187 WeakPolarHBondContact CA-O 3.23Å; I28-N187 PolarHBondContact N-O 3.39Å; G185-N187 PolarHBondContact O-N 3.09Å; G185-N187 PolarHBondContact O-OD1 3.45Å | ||
| 188 | I | 70.7 | Confident | 72.8 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.3 | -178.1 | -64.8 | 163.4 | 0 | 0 | 0 | 108.6 | I28 L30 K186 | I28-I188 HydrophobicContact CB-CG1 4.37Å; I28-I188 HydrophobicContact CD1-CG1 4.5Å; L30-I188 HydrophobicContact CD1-CG2 3.45Å; L30-I188 VanDerWaalsContact CD1-CG2 3.45Å; L30-I188 HydrophobicContact CG-CG2 3.77Å; K186-I188 HydrophobicContact CB-CD1 3.98Å; K186-I188 HydrophobicContact CB-CG1 4.34Å; K186-I188 WeakPolarHBondContact O-CG1 3.35Å; K186-I188 PolarHBondContact O-N 3Å |
| 189 | I | 71.4 | Confident | 72.3 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 112.2 | 169.8 | -66.1 | 175.2 | 0 | 0 | 0 | 107.1 | F27 I28 L29 L30 H191 P198 L199 M202 | F27-I189 HydrophobicContact CB-CD1 3.71Å; F27-I189 HydrophobicContact CB-CG1 4.15Å; F27-I189 HydrophobicContact CD1-CD1 3.83Å; F27-I189 HydrophobicContact CD1-CG1 4.04Å; F27-I189 HydrophobicContact CD2-CD1 4.01Å; F27-I189 HydrophobicContact CE1-CD1 4.4Å; F27-I189 HydrophobicContact CG-CD1 3.6Å; F27-I189 HydrophobicContact CG-CG1 4.2Å; I28-I189 PolarHBondContact O-N 3.35Å; L29-I189 WeakPolarHBondContact CA-O 3.26Å; L29-I189 HydrophobicContact CD2-CB 3.94Å; L29-I189 HydrophobicContact CD2-CD1 4.41Å; L29-I189 HydrophobicContact CD2-CG2 3.81Å; L30-I189 PolarHBondContact N-O 3.43Å; I189-H191 HydrophobicContact CG2-CB 3.65Å; I189-H191 PolarHBondContact O-N 3.39Å; I189-P198 HydrophobicContact CG2-CB 3.87Å; I189-L199 HydrophobicContact CD1-CD2 4.03Å; I189-M202 HydrophobicContact CD1-CE 3.76Å; I189-M202 HydrophobicContact CG1-CE 3.29Å; I189-M202 HydrophobicContact CG1-SD 3.88Å |
| 190 | D | 67.8 | Low | 71.8 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -79.9 | 57.7 | 175.7 | -162.6 | -2.4 | 0 | 0 | 0 | 112.3 | L30 L283 K287 | L30-D190 HydrophobicContact CD1-CB 3.59Å; L30-D190 WeakPolarHBondContact CD1-OD1 3.43Å; D190-L283 HydrophobicContact CB-CD1 3.74Å; D190-L283 HydrophobicContact CB-CD2 4.17Å; D190-L283 VanDerWaalsContact OD1-CD2 3.24Å; D190-L283 WeakPolarHBondContact OD1-CD2 3.19Å; D190-L283 WeakPolarHBondContact OD2-CD1 3.38Å; D190-L283 WeakPolarHBondContact OD2-CD2 3.34Å; D190-K287 WeakPolarHBondContact O-CE 3.38Å; D190-K287 IonicContact OD1-NZ 3.39Å; D190-K287 PolarHBondContact OD1-NZ 3.22Å |
| 191 | H | 69.7 | Low | 71.3 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -148.1 | 167 | 179.5 | -148.6 | -91.5 | 0 | 0 | 0 | 109.1 | L30 G31 I189 F193 P198 | L30-H191 PolarHBondContact N-O 3.19Å; G31-H191 PolarHBondContact N-O 2.69Å; I189-H191 HydrophobicContact CG2-CB 3.65Å; I189-H191 PolarHBondContact O-N 3.39Å; H191-F193 AromaticContact CE1-CD1 3.91Å; H191-F193 AromaticContact CE1-CD2 3.96Å; H191-F193 AromaticContact CE1-CE1 3.54Å; H191-F193 AromaticContact CE1-CE2 3.63Å; H191-F193 AromaticContact CE1-CZ 3.4Å; H191-F193 WeakPolarHBondContact CE1-CZ 3.47Å; H191-F193 AromaticContact ND1-CD1 3.87Å; H191-F193 AromaticContact ND1-CD2 3.72Å; H191-F193 AromaticContact ND1-CE1 3.98Å; H191-F193 AromaticContact ND1-CE2 3.87Å; H191-F193 AromaticContact ND1-CG 3.73Å; H191-F193 AromaticContact ND1-CZ 3.99Å; H191-F193 PolarHBondContact ND1-N 3.21Å; H191-F193 PolarHBondContact ND1-O 3.36Å; H191-P198 HydrophobicContact CB-CG 4.11Å |
| 192 | F | 70.1 | Confident | 71 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -96.8 | 0.4 | 178.2 | 52.9 | -92.1 | 0 | 0 | 0 | 113.6 | F32 I96 K287 A290 L291 | F32-F192 AromaticContact CD2-CD1 3.65Å; F32-F192 HydrophobicContact CD2-CD1 3.65Å; F32-F192 AromaticContact CD2-CE1 3.7Å; F32-F192 HydrophobicContact CD2-CE1 3.7Å; F32-F192 HydrophobicContact CD2-CG 4.25Å; F32-F192 HydrophobicContact CD2-CZ 4.32Å; F32-F192 HydrophobicContact CE2-CD1 4.1Å; F32-F192 AromaticContact CE2-CE1 3.65Å; F32-F192 HydrophobicContact CE2-CE1 3.65Å; F32-F192 HydrophobicContact CE2-CZ 4.13Å; I96-F192 HydrophobicContact CD1-CD2 3.5Å; I96-F192 HydrophobicContact CD1-CE2 3.61Å; I96-F192 HydrophobicContact CG1-CD2 3.68Å; I96-F192 HydrophobicContact CG1-CE2 4.31Å; F192-K287 HydrophobicContact CD1-CB 4.22Å; F192-K287 HydrophobicContact CD1-CD 4.34Å; F192-K287 HydrophobicContact CD1-CG 3.92Å; F192-K287 HydrophobicContact CE1-CB 3.72Å; F192-K287 HydrophobicContact CE1-CG 3.87Å; F192-K287 WeakPolarHBondContact CE1-O 3.04Å; F192-A290 HydrophobicContact CE1-CB 4.01Å; F192-A290 HydrophobicContact CE2-CB 4.41Å; F192-A290 HydrophobicContact CZ-CB 3.5Å; F192-L291 HydrophobicContact CE2-CD2 4.04Å; F192-L291 HydrophobicContact CZ-CD2 3.79Å; F192-L291 HydrophobicContact CZ-CG 4.22Å |
| 193 | F | 69.5 | Low | 71.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -154.8 | 166.4 | 172.2 | 55.5 | -108.6 | 0 | 0 | 0 | 111.4 | Y92 H191 D195 A290 Y293 T294 | Y92-F193 HydrophobicContact CD1-CB 3.56Å; Y92-F193 AromaticContact CD1-CD1 3.62Å; Y92-F193 HydrophobicContact CD1-CD1 3.62Å; Y92-F193 AromaticContact CD1-CD2 3.75Å; Y92-F193 HydrophobicContact CD1-CD2 3.75Å; Y92-F193 HydrophobicContact CD1-CE1 4.15Å; Y92-F193 HydrophobicContact CD1-CE2 4.23Å; Y92-F193 AromaticContact CD1-CG 3.41Å; Y92-F193 HydrophobicContact CD1-CG 3.41Å; Y92-F193 VanDerWaalsContact CD1-CG 3.41Å; Y92-F193 HydrophobicContact CD1-CZ 4.42Å; Y92-F193 HydrophobicContact CE1-CB 3.84Å; Y92-F193 HydrophobicContact CE1-CD1 4Å; Y92-F193 AromaticContact CE1-CD2 3.26Å; Y92-F193 HydrophobicContact CE1-CD2 3.26Å; Y92-F193 HydrophobicContact CE1-CE1 4.33Å; Y92-F193 AromaticContact CE1-CE2 3.62Å; Y92-F193 HydrophobicContact CE1-CE2 3.62Å; Y92-F193 AromaticContact CE1-CG 3.48Å; Y92-F193 HydrophobicContact CE1-CG 3.48Å; Y92-F193 VanDerWaalsContact CE1-CG 3.48Å; Y92-F193 HydrophobicContact CE1-CZ 4.15Å; Y92-F193 HydrophobicContact CG-CD1 4.4Å; H191-F193 AromaticContact CE1-CD1 3.91Å; H191-F193 AromaticContact CE1-CD2 3.96Å; H191-F193 AromaticContact CE1-CE1 3.54Å; H191-F193 AromaticContact CE1-CE2 3.63Å; H191-F193 AromaticContact CE1-CZ 3.4Å; H191-F193 WeakPolarHBondContact CE1-CZ 3.47Å; H191-F193 AromaticContact ND1-CD1 3.87Å; H191-F193 AromaticContact ND1-CD2 3.72Å; H191-F193 AromaticContact ND1-CE1 3.98Å; H191-F193 AromaticContact ND1-CE2 3.87Å; H191-F193 AromaticContact ND1-CG 3.73Å; H191-F193 AromaticContact ND1-CZ 3.99Å; H191-F193 PolarHBondContact ND1-N 3.21Å; H191-F193 PolarHBondContact ND1-O 3.36Å; F193-D195 HydrophobicContact CD2-CB 3.83Å; F193-D195 HydrophobicContact CE2-CB 3.58Å; F193-D195 WeakPolarHBondContact CE2-OD2 3.49Å; F193-D195 PolarHBondContact O-N 3.36Å; F193-A290 HydrophobicContact CE1-CB 3.88Å; F193-A290 HydrophobicContact CZ-CB 3.71Å; F193-Y293 HydrophobicContact CZ-CE2 4.36Å; F193-Y293 VanDerWaalsContact CZ-OH 3.24Å; F193-Y293 WeakPolarHBondContact CZ-OH 3.19Å; F193-T294 HydrophobicContact CE1-CG2 3.76Å; F193-T294 HydrophobicContact CZ-CG2 3.68Å |
| 194 | C | 75.3 | Confident | 71 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -76.5 | 119.2 | 171.5 | -77.9 | 0 | 0 | 0 | 0 | 111.7 | C112 Q115 | C112-C194 WeakPolarHBondContact CA-SG 3.47Å; C112-C194 HydrophobicContact CB-CB 3.95Å; C112-C194 WeakPolarHBondContact CB-SG 3.46Å; C112-C194 WeakPolarHBondContact SG-CB 3.28Å; C112-C194 CovalentContact SG-SG 2.02Å; C112-C194 PolarHBondContact SG-SG 2.85Å; Q115-C194 VanDerWaalsContact OE1-N 3.08Å | ||
| 195 | D | 71.4 | Confident | 71.2 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | trans | -137.2 | 165.9 | 174.4 | -151.8 | -10.1 | 0 | 0 | 0 | 110.8 | F193 P198 L199 M273 Y293 | F193-D195 HydrophobicContact CD2-CB 3.83Å; F193-D195 HydrophobicContact CE2-CB 3.58Å; F193-D195 WeakPolarHBondContact CE2-OD2 3.49Å; F193-D195 PolarHBondContact O-N 3.36Å; D195-P198 HydrophobicContact CB-CG 4.37Å; D195-P198 WeakPolarHBondContact O-CD 3.33Å; D195-L199 WeakPolarHBondContact O-CB 3.14Å; D195-L199 WeakPolarHBondContact O-CD1 3.3Å; D195-L199 VanDerWaalsContact O-CG 3.28Å; D195-L199 WeakPolarHBondContact O-CG 3.47Å; D195-L199 PolarHBondContact O-N 3.33Å; D195-M273 WeakPolarHBondContact OD2-CE 3.5Å; D195-Y293 PolarHBondContact OD2-OH 2.86Å | ||
| 196 | V | 70.8 | Confident | 71.3 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -53.4 | -176.3 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | L116 H174 L199 V200 Y210 | L116-V196 HydrophobicContact CD1-CG2 3.54Å; H174-V196 WeakPolarHBondContact CE1-CG2 3.22Å; V196-L199 PolarHBondContact O-N 3.48Å; V196-V200 HydrophobicContact CG1-CG2 4.11Å; V196-V200 VanDerWaalsContact O-CG2 3.27Å; V196-V200 WeakPolarHBondContact O-CG2 3.18Å; V196-V200 PolarHBondContact O-N 2.91Å; V196-Y210 WeakPolarHBondContact CG1-OH 3.29Å |
| 197 | P | 68.7 | Low | 71.7 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | -175.1 | -17.1 | 30.7 | 0 | 0 | 0 | 113.7 | L199 K201 M273 | P197-L199 PolarHBondContact O-N 2.86Å; P197-K201 PolarHBondContact O-N 2.96Å; P197-M273 HydrophobicContact CG-CE 4.4Å |
| 198 | P | 67.5 | Low | 71.7 | Confident | 26 Ų | 26 | 44 Ų | 44 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 173.6 | -23.7 | 33.1 | 0 | 0 | 0 | 114.3 | I189 H191 D195 | I189-P198 HydrophobicContact CG2-CB 3.87Å; H191-P198 HydrophobicContact CB-CG 4.11Å; D195-P198 HydrophobicContact CB-CG 4.37Å; D195-P198 WeakPolarHBondContact O-CD 3.33Å |
| 199 | L | 71.6 | Confident | 71.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.2 | -45.3 | 178.8 | -75.6 | 171.3 | 0 | 0 | 0 | 111.9 | F27 L116 T178 F183 I189 D195 V196 P197 K201 M202 | F27-L199 HydrophobicContact CE1-CD2 4.48Å; F27-L199 HydrophobicContact CE2-CD2 4.08Å; F27-L199 HydrophobicContact CZ-CD2 3.91Å; L116-L199 HydrophobicContact CD2-CD1 4.1Å; T178-L199 HydrophobicContact CG2-CB 4.34Å; T178-L199 HydrophobicContact CG2-CD1 3.98Å; F183-L199 HydrophobicContact CE1-CB 4.04Å; F183-L199 HydrophobicContact CE1-CD2 4.22Å; F183-L199 WeakPolarHBondContact CE1-O 3.42Å; F183-L199 HydrophobicContact CZ-CB 4.44Å; F183-L199 HydrophobicContact CZ-CD2 4.3Å; I189-L199 HydrophobicContact CD1-CD2 4.03Å; D195-L199 WeakPolarHBondContact O-CB 3.14Å; D195-L199 WeakPolarHBondContact O-CD1 3.3Å; D195-L199 VanDerWaalsContact O-CG 3.28Å; D195-L199 WeakPolarHBondContact O-CG 3.47Å; D195-L199 PolarHBondContact O-N 3.33Å; V196-L199 PolarHBondContact O-N 3.48Å; P197-L199 PolarHBondContact O-N 2.86Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.28Å; L199-M202 HydrophobicContact CD2-CE 4.01Å; L199-M202 PolarHBondContact O-N 3.42Å; L199-M202 VanDerWaalsContact O-N 3.08Å |
| 200 | V | 70.4 | Confident | 72 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 179.8 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | L181 V196 M202 S203 T207 Y210 | L181-V200 HydrophobicContact CD1-CG2 4.46Å; V196-V200 HydrophobicContact CG1-CG2 4.11Å; V196-V200 VanDerWaalsContact O-CG2 3.27Å; V196-V200 WeakPolarHBondContact O-CG2 3.18Å; V196-V200 PolarHBondContact O-N 2.91Å; V200-M202 PolarHBondContact O-N 3.37Å; V200-S203 VanDerWaalsContact O-CB 3.29Å; V200-S203 WeakPolarHBondContact O-CB 3.29Å; V200-S203 PolarHBondContact O-N 2.9Å; V200-T207 HydrophobicContact CG1-CG2 3.95Å; V200-Y210 HydrophobicContact CB-CE1 4.33Å; V200-Y210 HydrophobicContact CG1-CD1 4.31Å; V200-Y210 HydrophobicContact CG1-CE1 4.07Å; V200-Y210 HydrophobicContact CG2-CD1 4.08Å; V200-Y210 HydrophobicContact CG2-CE1 3.24Å; V200-Y210 HydrophobicContact CG2-CE2 4.33Å; V200-Y210 VanDerWaalsContact CG2-CZ 3.4Å; V200-Y210 WeakPolarHBondContact CG2-OH 3.37Å |
| 201 | K | 70.8 | Confident | 72.4 | Confident | 140 Ų | 140 | 47.1 Ų | 47.1 | 61% | 0.609 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.8 | -24.1 | 176.3 | -168.8 | 178.8 | -177.9 | -177.6 | 0 | 113.6 | P197 L199 Y281 | P197-K201 PolarHBondContact O-N 2.96Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.28Å; K201-Y281 PolarHBondContact NZ-OH 3.45Å; K201-Y281 VanDerWaalsContact NZ-OH 3.09Å |
| 202 | M | 70.6 | Confident | 72.8 | Confident | 31 Ų | 31 | 54 Ų | 54 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 0.1 | 177.8 | -64 | -168 | -58.8 | 0 | 0 | 113.8 | F27 F183 C184 I189 L199 V200 | F27-M202 HydrophobicContact CD1-CE 3.69Å; F27-M202 HydrophobicContact CD1-SD 4.49Å; F27-M202 HydrophobicContact CE1-CE 3.36Å; F27-M202 HydrophobicContact CE1-SD 4.41Å; F27-M202 HydrophobicContact CZ-CE 4.16Å; F183-M202 HydrophobicContact CD1-CB 4.41Å; C184-M202 PolarHBondContact N-O 2.86Å; C184-M202 VanDerWaalsContact N-O 3.15Å; I189-M202 HydrophobicContact CD1-CE 3.76Å; I189-M202 HydrophobicContact CG1-CE 3.29Å; I189-M202 HydrophobicContact CG1-SD 3.88Å; L199-M202 HydrophobicContact CD2-CE 4.01Å; L199-M202 PolarHBondContact O-N 3.42Å; L199-M202 VanDerWaalsContact O-N 3.08Å; V200-M202 PolarHBondContact O-N 3.37Å |
| 203 | S | 75.7 | Confident | 73 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 136.3 | 177.6 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | R182 V200 T205 | R182-S203 WeakPolarHBondContact O-CA 3.46Å; V200-S203 VanDerWaalsContact O-CB 3.29Å; V200-S203 WeakPolarHBondContact O-CB 3.29Å; V200-S203 PolarHBondContact O-N 2.9Å; S203-T205 PolarHBondContact OG-N 2.96Å; S203-T205 VanDerWaalsContact OG-N 3.08Å; S203-T205 PolarHBondContact OG-O 3.26Å |
| 204 | C | 75.7 | Confident | 73.4 | Confident | 79 Ų | 79 | 58.7 Ų | 58.7 | 53% | 0.534 | 31% | 0.305 | S | S | . | . | trans | -100.6 | -2.1 | 167.2 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | R182 C184 | R182-C204 PolarHBondContact O-N 3.47Å; C184-C204 VanDerWaalsContact CA-SG 3.51Å; C184-C204 HydrophobicContact CB-CB 4.32Å; C184-C204 WeakPolarHBondContact CB-SG 3.42Å; C184-C204 PolarHBondContact N-SG 2.96Å; C184-C204 VanDerWaalsContact N-SG 3.39Å; C184-C204 WeakPolarHBondContact SG-CB 3.34Å; C184-C204 CovalentContact SG-SG 2Å; C184-C204 PolarHBondContact SG-SG 3.3Å | ||
| 205 | T | 73.3 | Confident | 73.5 | Confident | 58 Ų | 58 | 65.1 Ų | 65.1 | 36% | 0.356 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -89.5 | 143.8 | 173.9 | -48.1 | 0 | 0 | 0 | 0 | 108.4 | R182 S203 T207 | R182-T205 WeakPolarHBondContact CB-OG1 3.43Å; R182-T205 PolarHBondContact N-OG1 2.96Å; R182-T205 VanDerWaalsContact N-OG1 3.17Å; S203-T205 PolarHBondContact OG-N 2.96Å; S203-T205 VanDerWaalsContact OG-N 3.08Å; S203-T205 PolarHBondContact OG-O 3.26Å; T205-T207 PolarHBondContact O-N 3.22Å; T205-T207 VanDerWaalsContact O-N 3.08Å |
| 206 | D | 73.2 | Confident | 73.9 | Confident | 106 Ų | 106 | 66.7 Ų | 66.7 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | trans | -51.2 | 117.1 | 172.5 | -178 | -0.2 | 0 | 0 | 0 | 109.9 | R208 | D206-R208 VanDerWaalsContact C-N 3.26Å; D206-R208 PolarHBondContact O-N 3.29Å; D206-R208 VanDerWaalsContact OD1-CB 3.31Å; D206-R208 WeakPolarHBondContact OD1-CB 3.21Å; D206-R208 WeakPolarHBondContact OD1-CD 3.49Å; D206-R208 WeakPolarHBondContact OD1-CG 3.31Å; D206-R208 PolarHBondContact OD1-N 2.84Å | ||
| 207 | T | 76.6 | Confident | 74.1 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.7 | -174.7 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | V200 T205 V209 Y210 E211 | V200-T207 HydrophobicContact CG1-CG2 3.95Å; T205-T207 PolarHBondContact O-N 3.22Å; T205-T207 VanDerWaalsContact O-N 3.08Å; T207-V209 VanDerWaalsContact C-N 3.33Å; T207-V209 PolarHBondContact O-N 3.17Å; T207-Y210 CarbonylContact O-C 3.52Å; T207-Y210 WeakPolarHBondContact O-CA 3.24Å; T207-Y210 WeakPolarHBondContact O-CB 3.36Å; T207-Y210 PolarHBondContact O-N 2.74Å; T207-Y210 VanDerWaalsContact O-N 3.1Å; T207-E211 WeakPolarHBondContact O-CB 3.4Å; T207-E211 WeakPolarHBondContact O-CG 3.49Å; T207-E211 PolarHBondContact O-N 2.87Å; T207-E211 PolarHBondContact OG1-OE1 2.89Å |
| 208 | R | 75.1 | Confident | 74.6 | Confident | 172 Ų | 172 | 67.2 Ų | 67.2 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.1 | -40.9 | -176.1 | -77.7 | 171.4 | 156.1 | -172 | -3.4 | 114.2 | D206 K212 | D206-R208 VanDerWaalsContact C-N 3.26Å; D206-R208 PolarHBondContact O-N 3.29Å; D206-R208 VanDerWaalsContact OD1-CB 3.31Å; D206-R208 WeakPolarHBondContact OD1-CB 3.21Å; D206-R208 WeakPolarHBondContact OD1-CD 3.49Å; D206-R208 WeakPolarHBondContact OD1-CG 3.31Å; D206-R208 PolarHBondContact OD1-N 2.84Å; R208-K212 WeakPolarHBondContact O-CB 3.32Å; R208-K212 VanDerWaalsContact O-CG 3.26Å; R208-K212 WeakPolarHBondContact O-CG 3.02Å; R208-K212 PolarHBondContact O-N 3.03Å; R208-K212 VanDerWaalsContact O-N 3.11Å |
| 209 | V | 72 | Confident | 75.3 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.1 | -44 | 178 | 178 | 0 | 0 | 0 | 0 | 110 | T207 E211 K212 V213 | T207-V209 VanDerWaalsContact C-N 3.33Å; T207-V209 PolarHBondContact O-N 3.17Å; V209-E211 PolarHBondContact O-N 3.33Å; V209-K212 PolarHBondContact O-N 3.38Å; V209-V213 WeakPolarHBondContact O-CG2 3.47Å; V209-V213 PolarHBondContact O-N 2.79Å |
| 210 | Y | 77.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 175.4 | 165.2 | -89.1 | 0 | 0 | 0 | 111.8 | N177 L181 V196 V200 T207 K212 V213 L214 | N177-Y210 HydrophobicContact CB-CD2 4.48Å; N177-Y210 WeakPolarHBondContact ND2-CD2 3.3Å; N177-Y210 WeakPolarHBondContact ND2-CE2 3.45Å; N177-Y210 PolarHBondContact ND2-O 3.38Å; L181-Y210 HydrophobicContact CD1-CD1 4.36Å; L181-Y210 HydrophobicContact CD1-CD2 3.74Å; L181-Y210 HydrophobicContact CD1-CE2 4.15Å; L181-Y210 HydrophobicContact CD1-CG 3.88Å; L181-Y210 HydrophobicContact CD2-CD2 4.49Å; L181-Y210 HydrophobicContact CD2-CG 4.32Å; L181-Y210 HydrophobicContact CG-CD2 4.16Å; L181-Y210 HydrophobicContact CG-CG 4.39Å; V196-Y210 WeakPolarHBondContact CG1-OH 3.29Å; V200-Y210 HydrophobicContact CB-CE1 4.33Å; V200-Y210 HydrophobicContact CG1-CD1 4.31Å; V200-Y210 HydrophobicContact CG1-CE1 4.07Å; V200-Y210 HydrophobicContact CG2-CD1 4.08Å; V200-Y210 HydrophobicContact CG2-CE1 3.24Å; V200-Y210 HydrophobicContact CG2-CE2 4.33Å; V200-Y210 VanDerWaalsContact CG2-CZ 3.4Å; V200-Y210 WeakPolarHBondContact CG2-OH 3.37Å; T207-Y210 CarbonylContact O-C 3.52Å; T207-Y210 WeakPolarHBondContact O-CA 3.24Å; T207-Y210 WeakPolarHBondContact O-CB 3.36Å; T207-Y210 PolarHBondContact O-N 2.74Å; T207-Y210 VanDerWaalsContact O-N 3.1Å; Y210-K212 VanDerWaalsContact C-N 3.34Å; Y210-K212 PolarHBondContact O-N 2.82Å; Y210-V213 PolarHBondContact O-N 3.47Å; Y210-L214 HydrophobicContact CE1-CB 4.41Å; Y210-L214 HydrophobicContact CE1-CD2 3.87Å; Y210-L214 WeakPolarHBondContact O-CB 3.21Å; Y210-L214 PolarHBondContact O-N 3.42Å |
| 211 | E | 75.9 | Confident | 76.6 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 179.4 | -75.8 | 169.4 | -160.9 | 0 | 0 | 111.8 | T207 V209 L215 | T207-E211 WeakPolarHBondContact O-CB 3.4Å; T207-E211 WeakPolarHBondContact O-CG 3.49Å; T207-E211 PolarHBondContact O-N 2.87Å; T207-E211 PolarHBondContact OG1-OE1 2.89Å; V209-E211 PolarHBondContact O-N 3.33Å; E211-L215 WeakPolarHBondContact O-CB 3.41Å; E211-L215 PolarHBondContact O-N 3.35Å |
| 212 | K | 76.6 | Confident | 77.4 | Confident | 158 Ų | 158 | 68.2 Ų | 68.2 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66 | -43.9 | 175.3 | -76.4 | 175.8 | -178.9 | -177 | 0 | 112.3 | R208 V209 Y210 G216 | R208-K212 WeakPolarHBondContact O-CB 3.32Å; R208-K212 VanDerWaalsContact O-CG 3.26Å; R208-K212 WeakPolarHBondContact O-CG 3.02Å; R208-K212 PolarHBondContact O-N 3.03Å; R208-K212 VanDerWaalsContact O-N 3.11Å; V209-K212 PolarHBondContact O-N 3.38Å; Y210-K212 VanDerWaalsContact C-N 3.34Å; Y210-K212 PolarHBondContact O-N 2.82Å; K212-G216 PolarHBondContact O-N 3.35Å |
| 213 | V | 75.7 | Confident | 78.2 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 177.1 | 173 | 0 | 0 | 0 | 0 | 110.4 | N177 V209 Y210 G216 V217 | N177-V213 HydrophobicContact CB-CG1 4.28Å; V209-V213 WeakPolarHBondContact O-CG2 3.47Å; V209-V213 PolarHBondContact O-N 2.79Å; Y210-V213 PolarHBondContact O-N 3.47Å; V213-G216 PolarHBondContact O-N 3.2Å; V213-V217 HydrophobicContact CG1-CG2 4.31Å; V213-V217 WeakPolarHBondContact O-CG2 3.36Å; V213-V217 PolarHBondContact O-N 3.45Å |
| 214 | L | 76.6 | Confident | 79 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.7 | -52.5 | 175.4 | -175.6 | 75.3 | 0 | 0 | 0 | 110.8 | H174 Y210 G216 V217 V218 | H174-L214 WeakPolarHBondContact NE2-CD1 3.44Å; Y210-L214 HydrophobicContact CE1-CB 4.41Å; Y210-L214 HydrophobicContact CE1-CD2 3.87Å; Y210-L214 WeakPolarHBondContact O-CB 3.21Å; Y210-L214 PolarHBondContact O-N 3.42Å; L214-G216 VanDerWaalsContact C-N 3.27Å; L214-G216 PolarHBondContact O-N 2.93Å; L214-V217 PolarHBondContact O-N 3.45Å; L214-V218 HydrophobicContact CD1-CG2 3.51Å; L214-V218 HydrophobicContact CG-CG2 4.06Å; L214-V218 WeakPolarHBondContact O-CA 3.5Å; L214-V218 WeakPolarHBondContact O-CB 3.47Å; L214-V218 VanDerWaalsContact O-CG2 3.24Å; L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 3.48Å |
| 215 | L | 77.7 | Confident | 79.8 | Confident | 134 Ų | 134 | 68.8 Ų | 68.8 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.3 | -38.6 | 178 | -175.4 | 65.7 | 0 | 0 | 0 | 111.6 | E211 G219 | E211-L215 WeakPolarHBondContact O-CB 3.41Å; E211-L215 PolarHBondContact O-N 3.35Å; L215-G219 WeakPolarHBondContact O-CA 3.36Å; L215-G219 PolarHBondContact O-N 2.87Å |
| 216 | G | 79.3 | Confident | 80.7 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -59.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K212 V213 L214 F220 | K212-G216 PolarHBondContact O-N 3.35Å; V213-G216 PolarHBondContact O-N 3.2Å; L214-G216 VanDerWaalsContact C-N 3.27Å; L214-G216 PolarHBondContact O-N 2.93Å; G216-F220 WeakPolarHBondContact O-CB 3.44Å; G216-F220 PolarHBondContact O-N 3.29Å |
| 217 | V | 76.9 | Confident | 81.7 | Confident | 45 Ų | 45 | 67 Ų | 67 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.3 | -51.8 | -173.5 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | N170 V213 L214 T221 | N170-V217 WeakPolarHBondContact OD1-CG1 3.39Å; V213-V217 HydrophobicContact CG1-CG2 4.31Å; V213-V217 WeakPolarHBondContact O-CG2 3.36Å; V213-V217 PolarHBondContact O-N 3.45Å; L214-V217 PolarHBondContact O-N 3.45Å; V217-T221 WeakPolarHBondContact O-CB 3.42Å; V217-T221 PolarHBondContact O-N 3.42Å; V217-T221 VanDerWaalsContact O-N 3.12Å; V217-T221 PolarHBondContact O-OG1 2.84Å |
| 218 | V | 78.8 | Confident | 82.6 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.7 | -45.9 | -178.3 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | Y124 H174 L214 F220 T221 V222 | Y124-V218 HydrophobicContact CE1-CG1 4.4Å; Y124-V218 WeakPolarHBondContact OH-CG2 3.29Å; H174-V218 VanDerWaalsContact CD2-CG2 3.49Å; H174-V218 WeakPolarHBondContact CD2-CG2 3.2Å; L214-V218 HydrophobicContact CD1-CG2 3.51Å; L214-V218 HydrophobicContact CG-CG2 4.06Å; L214-V218 WeakPolarHBondContact O-CA 3.5Å; L214-V218 WeakPolarHBondContact O-CB 3.47Å; L214-V218 VanDerWaalsContact O-CG2 3.24Å; L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 3.48Å; V218-F220 VanDerWaalsContact C-N 3.34Å; V218-F220 PolarHBondContact O-N 2.83Å; V218-T221 PolarHBondContact O-N 3.29Å; V218-V222 HydrophobicContact CG1-CG2 4.03Å; V218-V222 VanDerWaalsContact O-CB 3.32Å; V218-V222 WeakPolarHBondContact O-CB 3.43Å; V218-V222 VanDerWaalsContact O-CG2 3.29Å; V218-V222 WeakPolarHBondContact O-CG2 3.33Å; V218-V222 PolarHBondContact O-N 2.95Å |
| 219 | G | 81.2 | Confident | 83.6 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L215 L223 | L215-G219 WeakPolarHBondContact O-CA 3.36Å; L215-G219 PolarHBondContact O-N 2.87Å; G219-L223 WeakPolarHBondContact O-CB 3.43Å; G219-L223 PolarHBondContact O-N 2.84Å |
| 220 | F | 84.8 | Confident | 84.7 | Confident | 151 Ų | 151 | 59.3 Ų | 59.3 | 66% | 0.662 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 176.6 | 179.4 | -98.9 | 0 | 0 | 0 | 112.4 | G216 V218 S224 | G216-F220 WeakPolarHBondContact O-CB 3.44Å; G216-F220 PolarHBondContact O-N 3.29Å; V218-F220 VanDerWaalsContact C-N 3.34Å; V218-F220 PolarHBondContact O-N 2.83Å; F220-S224 WeakPolarHBondContact O-CB 3.41Å; F220-S224 PolarHBondContact O-N 3.26Å; F220-S224 PolarHBondContact O-OG 3.12Å |
| 221 | T | 85.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | -178.5 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | Y124 Y128 N170 V217 V218 S224 S225 | Y124-T221 HydrophobicContact CD1-CG2 3.62Å; Y124-T221 HydrophobicContact CE1-CG2 4.11Å; Y128-T221 HydrophobicContact CE1-CG2 3.99Å; Y128-T221 HydrophobicContact CE2-CG2 4.24Å; Y128-T221 VanDerWaalsContact OH-CG2 3.26Å; Y128-T221 WeakPolarHBondContact OH-CG2 3.2Å; Y128-T221 PolarHBondContact OH-OG1 3.48Å; N170-T221 PolarHBondContact OD1-OG1 3.07Å; V217-T221 WeakPolarHBondContact O-CB 3.42Å; V217-T221 PolarHBondContact O-N 3.42Å; V217-T221 VanDerWaalsContact O-N 3.12Å; V217-T221 PolarHBondContact O-OG1 2.84Å; V218-T221 PolarHBondContact O-N 3.29Å; T221-S224 PolarHBondContact O-OG 2.82Å; T221-S225 WeakPolarHBondContact O-CB 3.49Å; T221-S225 PolarHBondContact O-N 2.71Å; T221-S225 PolarHBondContact O-OG 2.89Å |
| 222 | V | 86.2 | Confident | 86.6 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 178.7 | 171 | 0 | 0 | 0 | 0 | 110.6 | V218 S225 I226 Y267 | V218-V222 HydrophobicContact CG1-CG2 4.03Å; V218-V222 VanDerWaalsContact O-CB 3.32Å; V218-V222 WeakPolarHBondContact O-CB 3.43Å; V218-V222 VanDerWaalsContact O-CG2 3.29Å; V218-V222 WeakPolarHBondContact O-CG2 3.33Å; V218-V222 PolarHBondContact O-N 2.95Å; V222-S225 PolarHBondContact O-N 3.4Å; V222-I226 HydrophobicContact CG1-CD1 3.69Å; V222-I226 HydrophobicContact CG1-CG1 4.43Å; V222-I226 VanDerWaalsContact O-CG1 3.3Å; V222-I226 WeakPolarHBondContact O-CG1 2.99Å; V222-I226 PolarHBondContact O-N 2.98Å; V222-Y267 HydrophobicContact CG1-CD1 4.36Å; V222-Y267 HydrophobicContact CG1-CE1 4.09Å |
| 223 | L | 88.4 | Confident | 87.5 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | -177.2 | -174.3 | 63.1 | 0 | 0 | 0 | 112 | G219 S225 I226 L227 | G219-L223 WeakPolarHBondContact O-CB 3.43Å; G219-L223 PolarHBondContact O-N 2.84Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 PolarHBondContact O-N 3.45Å; L223-I226 PolarHBondContact O-N 2.99Å; L223-L227 HydrophobicContact CD1-CD1 4.46Å; L223-L227 HydrophobicContact CD1-CG 4.4Å; L223-L227 HydrophobicContact CG-CD1 4.02Å; L223-L227 HydrophobicContact CG-CG 4.4Å; L223-L227 WeakPolarHBondContact O-CB 3.47Å; L223-L227 VanDerWaalsContact O-CG 3.24Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.86Å |
| 224 | S | 91.6 | Very high | 88.4 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | F220 T221 L227 A228 | F220-S224 WeakPolarHBondContact O-CB 3.41Å; F220-S224 PolarHBondContact O-N 3.26Å; F220-S224 PolarHBondContact O-OG 3.12Å; T221-S224 PolarHBondContact O-OG 2.82Å; S224-L227 PolarHBondContact O-N 2.86Å; S224-A228 WeakPolarHBondContact O-CB 3.5Å; S224-A228 PolarHBondContact O-N 2.87Å |
| 225 | S | 93.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | T221 V222 L223 L227 A228 I229 Y267 | T221-S225 WeakPolarHBondContact O-CB 3.49Å; T221-S225 PolarHBondContact O-N 2.71Å; T221-S225 PolarHBondContact O-OG 2.89Å; V222-S225 PolarHBondContact O-N 3.4Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 PolarHBondContact O-N 3.45Å; S225-L227 PolarHBondContact O-N 3.16Å; S225-A228 PolarHBondContact O-N 3.35Å; S225-I229 VanDerWaalsContact O-CG1 3.28Å; S225-I229 WeakPolarHBondContact O-CG1 2.95Å; S225-I229 PolarHBondContact O-N 3.12Å; S225-Y267 WeakPolarHBondContact CB-OH 2.93Å |
| 226 | I | 92.4 | Very high | 90 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 175.7 | -70.8 | 170.7 | 0 | 0 | 0 | 110.9 | V222 L223 A228 I229 L230 Y267 | V222-I226 HydrophobicContact CG1-CD1 3.69Å; V222-I226 HydrophobicContact CG1-CG1 4.43Å; V222-I226 VanDerWaalsContact O-CG1 3.3Å; V222-I226 WeakPolarHBondContact O-CG1 2.99Å; V222-I226 PolarHBondContact O-N 2.98Å; L223-I226 PolarHBondContact O-N 2.99Å; I226-A228 PolarHBondContact O-N 2.92Å; I226-I229 PolarHBondContact O-N 2.96Å; I226-L230 HydrophobicContact CG2-CD1 3.72Å; I226-L230 HydrophobicContact CG2-CG 4.15Å; I226-L230 WeakPolarHBondContact O-CB 3.23Å; I226-L230 VanDerWaalsContact O-CG 3.29Å; I226-L230 WeakPolarHBondContact O-CG 3.16Å; I226-L230 PolarHBondContact O-N 3.44Å; I226-Y267 HydrophobicContact CD1-CD1 3.72Å; I226-Y267 HydrophobicContact CD1-CE1 3.95Å; I226-Y267 HydrophobicContact CD1-CG 4.43Å; I226-Y267 HydrophobicContact CG1-CD1 3.69Å; I226-Y267 HydrophobicContact CG1-CE1 3.56Å; I226-Y267 HydrophobicContact CG1-CE2 4.49Å; I226-Y267 HydrophobicContact CG1-CG 4.22Å |
| 227 | L | 94.1 | Very high | 90.6 | Very high | 84 Ų | 84 | 51.3 Ų | 51.3 | 44% | 0.44 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 178.2 | -74.7 | 171 | 0 | 0 | 0 | 111.5 | L223 S224 S225 I229 L230 I231 | L223-L227 HydrophobicContact CD1-CD1 4.46Å; L223-L227 HydrophobicContact CD1-CG 4.4Å; L223-L227 HydrophobicContact CG-CD1 4.02Å; L223-L227 HydrophobicContact CG-CG 4.4Å; L223-L227 WeakPolarHBondContact O-CB 3.47Å; L223-L227 VanDerWaalsContact O-CG 3.24Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.86Å; S224-L227 PolarHBondContact O-N 2.86Å; S225-L227 PolarHBondContact O-N 3.16Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 PolarHBondContact O-N 3.03Å; L227-L230 PolarHBondContact O-N 3.34Å; L227-I231 WeakPolarHBondContact O-CB 3.24Å; L227-I231 WeakPolarHBondContact O-CD1 3.29Å; L227-I231 VanDerWaalsContact O-CG1 3.22Å; L227-I231 WeakPolarHBondContact O-CG1 3.18Å; L227-I231 PolarHBondContact O-N 3.04Å |
| 228 | A | 95.6 | Very high | 91.4 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A131 S224 S225 I226 S232 | A131-A228 HydrophobicContact CB-CB 4.26Å; S224-A228 WeakPolarHBondContact O-CB 3.5Å; S224-A228 PolarHBondContact O-N 2.87Å; S225-A228 PolarHBondContact O-N 3.35Å; I226-A228 PolarHBondContact O-N 2.92Å; A228-S232 WeakPolarHBondContact O-CB 3.32Å; A228-S232 PolarHBondContact O-N 3.13Å; A228-S232 VanDerWaalsContact O-N 3.1Å; A228-S232 PolarHBondContact O-OG 3.32Å |
| 229 | I | 95.8 | Very high | 92 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.046 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -50.3 | 175.2 | -66.8 | 166.9 | 0 | 0 | 0 | 110.2 | L130 A131 A134 S225 I226 L227 I231 S232 Y233 V263 Y267 | L130-I229 HydrophobicContact CB-CD1 4.14Å; A131-I229 HydrophobicContact CB-CG1 4.23Å; A134-I229 HydrophobicContact CB-CB 4.27Å; A134-I229 HydrophobicContact CB-CG1 3.96Å; A134-I229 HydrophobicContact CB-CG2 4.32Å; S225-I229 VanDerWaalsContact O-CG1 3.28Å; S225-I229 WeakPolarHBondContact O-CG1 2.95Å; S225-I229 PolarHBondContact O-N 3.12Å; I226-I229 PolarHBondContact O-N 2.96Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 PolarHBondContact O-N 3.03Å; I229-I231 PolarHBondContact O-N 3.26Å; I229-S232 WeakPolarHBondContact O-CB 3.32Å; I229-S232 PolarHBondContact O-N 3.01Å; I229-Y233 HydrophobicContact CG2-CD2 3.75Å; I229-Y233 HydrophobicContact CG2-CE2 4.07Å; I229-Y233 WeakPolarHBondContact O-CD2 3.23Å; I229-Y233 PolarHBondContact O-N 2.86Å; I229-V263 HydrophobicContact CD1-CG1 4.4Å; I229-V263 HydrophobicContact CD1-CG2 4.33Å; I229-V263 HydrophobicContact CG2-CG1 4.16Å; I229-V263 HydrophobicContact CG2-CG2 4.48Å; I229-Y267 HydrophobicContact CD1-CD2 4.48Å; I229-Y267 HydrophobicContact CD1-CE2 3.59Å |
| 230 | L | 95.3 | Very high | 92.4 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 51% | 0.508 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | -178.6 | -73.7 | 174.4 | 0 | 0 | 0 | 112 | I226 L227 S232 Y233 V234 | I226-L230 HydrophobicContact CG2-CD1 3.72Å; I226-L230 HydrophobicContact CG2-CG 4.15Å; I226-L230 WeakPolarHBondContact O-CB 3.23Å; I226-L230 VanDerWaalsContact O-CG 3.29Å; I226-L230 WeakPolarHBondContact O-CG 3.16Å; I226-L230 PolarHBondContact O-N 3.44Å; L227-L230 PolarHBondContact O-N 3.34Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.44Å; L230-Y233 PolarHBondContact O-N 2.86Å; L230-V234 WeakPolarHBondContact O-CB 3.49Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.1Å; L230-V234 PolarHBondContact O-N 2.83Å |
| 231 | I | 96.2 | Very high | 92.6 | Very high | 104 Ų | 104 | 49.1 Ų | 49.1 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 177.6 | -68.8 | 165.4 | 0 | 0 | 0 | 110.1 | L227 I229 Y233 V234 N235 | L227-I231 WeakPolarHBondContact O-CB 3.24Å; L227-I231 WeakPolarHBondContact O-CD1 3.29Å; L227-I231 VanDerWaalsContact O-CG1 3.22Å; L227-I231 WeakPolarHBondContact O-CG1 3.18Å; L227-I231 PolarHBondContact O-N 3.04Å; I229-I231 PolarHBondContact O-N 3.26Å; I231-Y233 VanDerWaalsContact C-N 3.35Å; I231-Y233 PolarHBondContact O-N 3.42Å; I231-V234 PolarHBondContact O-N 3.31Å; I231-N235 PolarHBondContact O-N 3.34Å; I231-N235 PolarHBondContact O-ND2 3.26Å |
| 232 | S | 96.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | A228 I229 L230 N235 I236 | A228-S232 WeakPolarHBondContact O-CB 3.32Å; A228-S232 PolarHBondContact O-N 3.13Å; A228-S232 VanDerWaalsContact O-N 3.1Å; A228-S232 PolarHBondContact O-OG 3.32Å; I229-S232 WeakPolarHBondContact O-CB 3.32Å; I229-S232 PolarHBondContact O-N 3.01Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.44Å; S232-N235 PolarHBondContact O-N 3.06Å; S232-I236 WeakPolarHBondContact O-CD1 3.43Å; S232-I236 WeakPolarHBondContact O-CG1 3.48Å; S232-I236 PolarHBondContact O-N 3.46Å |
| 233 | Y | 94.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.1 | -31.2 | -177.9 | -88.5 | -77 | 0 | 0 | 0 | 114.6 | A134 I229 L230 I231 I236 L237 C256 H259 L260 | A134-Y233 HydrophobicContact CB-CD2 4.36Å; A134-Y233 HydrophobicContact CB-CE2 4.02Å; I229-Y233 HydrophobicContact CG2-CD2 3.75Å; I229-Y233 HydrophobicContact CG2-CE2 4.07Å; I229-Y233 WeakPolarHBondContact O-CD2 3.23Å; I229-Y233 PolarHBondContact O-N 2.86Å; L230-Y233 PolarHBondContact O-N 2.86Å; I231-Y233 VanDerWaalsContact C-N 3.35Å; I231-Y233 PolarHBondContact O-N 3.42Å; Y233-I236 HydrophobicContact CD1-CD1 4.07Å; Y233-I236 HydrophobicContact CE1-CD1 4.15Å; Y233-I236 HydrophobicContact CG-CD1 4.4Å; Y233-I236 PolarHBondContact O-N 3.42Å; Y233-L237 WeakPolarHBondContact O-CB 2.99Å; Y233-L237 PolarHBondContact O-N 3.33Å; Y233-C256 HydrophobicContact CE1-CB 3.92Å; Y233-H259 AromaticContact CE2-ND1 3.57Å; Y233-H259 AromaticContact CZ-ND1 3.6Å; Y233-H259 PolarHBondContact OH-ND1 3.04Å; Y233-L260 HydrophobicContact CD1-CD1 4.07Å; Y233-L260 HydrophobicContact CD1-CD2 3.7Å; Y233-L260 HydrophobicContact CD1-CG 4.08Å; Y233-L260 HydrophobicContact CD2-CD2 3.94Å; Y233-L260 HydrophobicContact CE1-CD1 3.66Å; Y233-L260 HydrophobicContact CE1-CD2 3.44Å; Y233-L260 VanDerWaalsContact CE1-CD2 3.44Å; Y233-L260 HydrophobicContact CE1-CG 3.42Å; Y233-L260 VanDerWaalsContact CE1-CG 3.42Å; Y233-L260 HydrophobicContact CE2-CD2 3.7Å; Y233-L260 HydrophobicContact CE2-CG 4.32Å; Y233-L260 HydrophobicContact CG-CD2 3.94Å; Y233-L260 VanDerWaalsContact CZ-CD2 3.43Å |
| 234 | V | 95.1 | Very high | 92.8 | Very high | 83 Ų | 83 | 63.4 Ų | 63.4 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 169.6 | 168.9 | 0 | 0 | 0 | 0 | 109.7 | L230 I231 I236 L237 L238 | L230-V234 WeakPolarHBondContact O-CB 3.49Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.1Å; L230-V234 PolarHBondContact O-N 2.83Å; I231-V234 PolarHBondContact O-N 3.31Å; V234-I236 PolarHBondContact O-N 3.21Å; V234-L237 PolarHBondContact O-N 2.91Å; V234-L238 HydrophobicContact CG1-CD1 4.22Å; V234-L238 WeakPolarHBondContact O-CG 3.49Å; V234-L238 PolarHBondContact O-N 2.94Å |
| 235 | N | 94.2 | Very high | 92.7 | Very high | 57 Ų | 57 | 64.5 Ų | 64.5 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 177.1 | -71.3 | -24.5 | 0 | 0 | 0 | 112.4 | C142 I231 S232 L238 A239 | C142-N235 PolarHBondContact SG-O 2.96Å; I231-N235 PolarHBondContact O-N 3.34Å; I231-N235 PolarHBondContact O-ND2 3.26Å; S232-N235 PolarHBondContact O-N 3.06Å; N235-L238 PolarHBondContact O-N 3.32Å; N235-A239 WeakPolarHBondContact O-CB 3.36Å; N235-A239 PolarHBondContact O-N 3Å |
| 236 | I | 94 | Very high | 92.4 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 173.6 | -71 | 164.1 | 0 | 0 | 0 | 110.3 | R137 H138 I141 S232 Y233 V234 L238 A239 I240 | R137-I236 HydrophobicContact CB-CD1 3.85Å; H138-I236 HydrophobicContact CB-CD1 4.22Å; H138-I236 HydrophobicContact CB-CG1 4.2Å; I141-I236 HydrophobicContact CD1-CG2 3.79Å; I141-I236 HydrophobicContact CG2-CG2 4.32Å; S232-I236 WeakPolarHBondContact O-CD1 3.43Å; S232-I236 WeakPolarHBondContact O-CG1 3.48Å; S232-I236 PolarHBondContact O-N 3.46Å; Y233-I236 HydrophobicContact CD1-CD1 4.07Å; Y233-I236 HydrophobicContact CE1-CD1 4.15Å; Y233-I236 HydrophobicContact CG-CD1 4.4Å; Y233-I236 PolarHBondContact O-N 3.42Å; V234-I236 PolarHBondContact O-N 3.21Å; I236-L238 VanDerWaalsContact C-N 3.35Å; I236-L238 PolarHBondContact O-N 2.99Å; I236-A239 PolarHBondContact O-N 2.94Å; I236-I240 HydrophobicContact CG2-CD1 3.68Å; I236-I240 HydrophobicContact CG2-CG1 4.3Å; I236-I240 VanDerWaalsContact O-CG1 3.28Å; I236-I240 WeakPolarHBondContact O-CG1 3.35Å; I236-I240 PolarHBondContact O-N 3.11Å |
| 237 | L | 92.4 | Very high | 92 | Very high | 83 Ų | 83 | 70.9 Ų | 70.9 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 179.5 | -178 | 64.3 | 0 | 0 | 0 | 111 | Y233 V234 A239 I240 L241 F253 | Y233-L237 WeakPolarHBondContact O-CB 2.99Å; Y233-L237 PolarHBondContact O-N 3.33Å; V234-L237 PolarHBondContact O-N 2.91Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 2.93Å; L237-I240 PolarHBondContact O-N 2.91Å; L237-L241 HydrophobicContact CG-CD1 4.39Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.12Å; L237-L241 PolarHBondContact O-N 3.11Å; L237-F253 HydrophobicContact CD1-CE1 4.46Å; L237-F253 HydrophobicContact CD1-CZ 4.06Å |
| 238 | L | 92.4 | Very high | 91.5 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 45% | 0.445 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 175.6 | -68.6 | 174.8 | 0 | 0 | 0 | 111.9 | V234 N235 I236 L241 R242 | V234-L238 HydrophobicContact CG1-CD1 4.22Å; V234-L238 WeakPolarHBondContact O-CG 3.49Å; V234-L238 PolarHBondContact O-N 2.94Å; N235-L238 PolarHBondContact O-N 3.32Å; I236-L238 VanDerWaalsContact C-N 3.35Å; I236-L238 PolarHBondContact O-N 2.99Å; L238-L241 PolarHBondContact O-N 3.3Å; L238-R242 WeakPolarHBondContact O-CG 3.4Å; L238-R242 PolarHBondContact O-N 3.29Å |
| 239 | A | 90.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 70.7 Ų | 70.7 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I141 C142 N235 I236 L237 L241 R242 I243 | I141-A239 HydrophobicContact CG2-CB 4.26Å; C142-A239 HydrophobicContact CB-CB 4.43Å; N235-A239 WeakPolarHBondContact O-CB 3.36Å; N235-A239 PolarHBondContact O-N 3Å; I236-A239 PolarHBondContact O-N 2.94Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 2.93Å; A239-L241 PolarHBondContact O-N 3.15Å; A239-R242 WeakPolarHBondContact O-CB 3.4Å; A239-R242 PolarHBondContact O-N 3.46Å; A239-I243 PolarHBondContact O-N 2.63Å |
| 240 | I | 89.5 | Confident | 90.5 | Very high | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 177.3 | -69.1 | 171.6 | 0 | 0 | 0 | 111.4 | I141 I236 L237 R242 I243 R249 A252 F253 | I141-I240 HydrophobicContact CG2-CG1 4.31Å; I236-I240 HydrophobicContact CG2-CD1 3.68Å; I236-I240 HydrophobicContact CG2-CG1 4.3Å; I236-I240 VanDerWaalsContact O-CG1 3.28Å; I236-I240 WeakPolarHBondContact O-CG1 3.35Å; I236-I240 PolarHBondContact O-N 3.11Å; L237-I240 PolarHBondContact O-N 2.91Å; I240-R242 PolarHBondContact O-N 3.17Å; I240-I243 WeakPolarHBondContact O-CB 3.16Å; I240-I243 PolarHBondContact O-N 3.03Å; I240-R249 HydrophobicContact CG2-CB 4.16Å; I240-R249 HydrophobicContact CG2-CG 4.04Å; I240-A252 HydrophobicContact CD1-CB 3.77Å; I240-A252 HydrophobicContact CG1-CB 3.69Å; I240-F253 HydrophobicContact CG2-CD2 4.03Å; I240-F253 HydrophobicContact CG2-CE2 3.56Å; I240-F253 HydrophobicContact CG2-CZ 4.14Å |
| 241 | L | 89 | Confident | 90 | Very high | 102 Ų | 102 | 82.9 Ų | 82.9 | 53% | 0.534 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.6 | -30.9 | 177.3 | -70 | 173.1 | 0 | 0 | 0 | 112.1 | L237 L238 A239 I243 R249 | L237-L241 HydrophobicContact CG-CD1 4.39Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.12Å; L237-L241 PolarHBondContact O-N 3.11Å; L238-L241 PolarHBondContact O-N 3.3Å; A239-L241 PolarHBondContact O-N 3.15Å; L241-I243 VanDerWaalsContact C-N 3.32Å; L241-R249 PolarHBondContact O-NH2 2.92Å |
| 242 | R | 89.5 | Confident | 89.4 | Confident | 196 Ų | 196 | 78.5 Ų | 78.5 | 74% | 0.74 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74 | -16.6 | 174.6 | -66.2 | 174.7 | -177.4 | 176.5 | 1.1 | 114 | L238 A239 I240 H244 | L238-R242 WeakPolarHBondContact O-CG 3.4Å; L238-R242 PolarHBondContact O-N 3.29Å; A239-R242 WeakPolarHBondContact O-CB 3.4Å; A239-R242 PolarHBondContact O-N 3.46Å; I240-R242 PolarHBondContact O-N 3.17Å; R242-H244 PolarHBondContact O-N 3.39Å |
| 243 | I | 88.8 | Confident | 88.8 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | trans | -71 | 123.8 | 175.9 | -60.2 | 173.3 | 0 | 0 | 0 | 108.8 | A239 I240 L241 R249 A252 | A239-I243 PolarHBondContact O-N 2.63Å; I240-I243 WeakPolarHBondContact O-CB 3.16Å; I240-I243 PolarHBondContact O-N 3.03Å; L241-I243 VanDerWaalsContact C-N 3.32Å; I243-R249 HydrophobicContact CB-CG 4.01Å; I243-R249 HydrophobicContact CG2-CG 4.16Å; I243-R249 VanDerWaalsContact O-CZ 3.25Å; I243-R249 PolarHBondContact O-NE 2.96Å; I243-R249 PolarHBondContact O-NH2 3.4Å; I243-A252 HydrophobicContact CD1-CB 4.39Å | ||
| 244 | H | 87 | Confident | 88.2 | Confident | 189 Ų | 189 | 86 Ų | 86 | 88% | 0.875 | 44% | 0.444 | S | S | * | . | trans | -79.8 | -22.4 | -178.6 | -70.7 | -79 | 0 | 0 | 0 | 114 | R242 | R242-H244 PolarHBondContact O-N 3.39Š| ||
| 245 | S | 90.6 | Very high | 87.5 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | trans | -92.8 | 130.7 | -178 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | S247 G248 R249 | S245-S247 VanDerWaalsContact C-N 3.26Å; S245-S247 PolarHBondContact O-N 3.15Å; S245-G248 PolarHBondContact O-N 3.44Å; S245-G248 VanDerWaalsContact O-N 3.16Å; S245-G248 PolarHBondContact OG-N 3.34Å; S245-R249 PolarHBondContact O-N 3.19Å | ||
| 246 | A | 85.8 | Confident | 87.2 | Confident | 81 Ų | 81 | 82 Ų | 82 | 67% | 0.669 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.2 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R249 R250 | A246-R249 PolarHBondContact O-N 3.04Å; A246-R250 WeakPolarHBondContact O-CB 3.48Å; A246-R250 PolarHBondContact O-N 2.93Å |
| 247 | S | 85.6 | Confident | 86.9 | Confident | 98 Ų | 98 | 83 Ų | 83 | 69% | 0.685 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 174.5 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | S245 R250 K251 | S245-S247 VanDerWaalsContact C-N 3.26Å; S245-S247 PolarHBondContact O-N 3.15Å; S247-R250 PolarHBondContact O-N 3.45Å; S247-K251 WeakPolarHBondContact O-CB 3.46Å; S247-K251 PolarHBondContact O-N 2.85Å |
| 248 | G | 82.9 | Confident | 86.7 | Confident | 21 Ų | 21 | 79.7 Ų | 79.7 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S245 K251 A252 | S245-G248 PolarHBondContact O-N 3.44Å; S245-G248 VanDerWaalsContact O-N 3.16Å; S245-G248 PolarHBondContact OG-N 3.34Å; G248-K251 PolarHBondContact O-N 3.46Å; G248-A252 PolarHBondContact O-N 3.01Å |
| 249 | R | 86.1 | Confident | 86.6 | Confident | 99 Ų | 99 | 75.7 Ų | 75.7 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 174 | -68.8 | -178.7 | -179.8 | 176.4 | -0.2 | 111.8 | I240 L241 I243 S245 A246 K251 A252 F253 | I240-R249 HydrophobicContact CG2-CB 4.16Å; I240-R249 HydrophobicContact CG2-CG 4.04Å; L241-R249 PolarHBondContact O-NH2 2.92Å; I243-R249 HydrophobicContact CB-CG 4.01Å; I243-R249 HydrophobicContact CG2-CG 4.16Å; I243-R249 VanDerWaalsContact O-CZ 3.25Å; I243-R249 PolarHBondContact O-NE 2.96Å; I243-R249 PolarHBondContact O-NH2 3.4Å; S245-R249 PolarHBondContact O-N 3.19Å; A246-R249 PolarHBondContact O-N 3.04Å; R249-K251 VanDerWaalsContact C-N 3.32Å; R249-K251 PolarHBondContact O-N 2.87Å; R249-A252 PolarHBondContact O-N 2.87Å; R249-F253 WeakPolarHBondContact O-CD2 3.25Å; R249-F253 PolarHBondContact O-N 3.02Å |
| 250 | R | 85 | Confident | 86.6 | Confident | 205 Ų | 205 | 77.9 Ų | 77.9 | 77% | 0.774 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | -179.7 | -169.3 | 176.7 | -175.6 | -166.3 | 2.1 | 111.8 | A246 S247 S254 | A246-R250 WeakPolarHBondContact O-CB 3.48Å; A246-R250 PolarHBondContact O-N 2.93Å; S247-R250 PolarHBondContact O-N 3.45Å; R250-S254 WeakPolarHBondContact O-CB 3.07Å; R250-S254 PolarHBondContact O-N 2.98Å |
| 251 | K | 84.1 | Confident | 86.7 | Confident | 158 Ų | 158 | 80.5 Ų | 80.5 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.9 | -48.3 | 175.2 | -173.1 | 175.9 | 179.7 | -179.2 | 0 | 111 | S247 G248 R249 S254 T255 | S247-K251 WeakPolarHBondContact O-CB 3.46Å; S247-K251 PolarHBondContact O-N 2.85Å; G248-K251 PolarHBondContact O-N 3.46Å; R249-K251 VanDerWaalsContact C-N 3.32Å; R249-K251 PolarHBondContact O-N 2.87Å; K251-S254 PolarHBondContact O-N 3.34Å; K251-T255 PolarHBondContact O-N 3.32Å; K251-T255 VanDerWaalsContact O-N 3.11Å; K251-T255 PolarHBondContact O-OG1 3.48Å |
| 252 | A | 84.2 | Confident | 86.7 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I240 I243 G248 R249 S254 T255 C256 | I240-A252 HydrophobicContact CD1-CB 3.77Å; I240-A252 HydrophobicContact CG1-CB 3.69Å; I243-A252 HydrophobicContact CD1-CB 4.39Å; G248-A252 PolarHBondContact O-N 3.01Å; R249-A252 PolarHBondContact O-N 2.87Å; A252-S254 VanDerWaalsContact C-N 3.33Å; A252-S254 PolarHBondContact O-N 3.35Å; A252-T255 PolarHBondContact O-N 3.37Å; A252-C256 PolarHBondContact O-N 2.95Å |
| 253 | F | 83.5 | Confident | 86.8 | Confident | 109 Ų | 109 | 67 Ų | 67 | 48% | 0.478 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.7 | -86.4 | -68.3 | 0 | 0 | 0 | 112.4 | L237 I240 R249 T255 C256 A257 | L237-F253 HydrophobicContact CD1-CE1 4.46Å; L237-F253 HydrophobicContact CD1-CZ 4.06Å; I240-F253 HydrophobicContact CG2-CD2 4.03Å; I240-F253 HydrophobicContact CG2-CE2 3.56Å; I240-F253 HydrophobicContact CG2-CZ 4.14Å; R249-F253 WeakPolarHBondContact O-CD2 3.25Å; R249-F253 PolarHBondContact O-N 3.02Å; F253-T255 VanDerWaalsContact C-N 3.26Å; F253-T255 PolarHBondContact O-N 3.4Å; F253-C256 PolarHBondContact O-N 2.91Å; F253-A257 PolarHBondContact O-N 3.13Å |
| 254 | S | 81.3 | Confident | 86.8 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.8 | -35.1 | 179.1 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | R250 K251 A252 C256 | R250-S254 WeakPolarHBondContact O-CB 3.07Å; R250-S254 PolarHBondContact O-N 2.98Å; K251-S254 PolarHBondContact O-N 3.34Å; A252-S254 VanDerWaalsContact C-N 3.33Å; A252-S254 PolarHBondContact O-N 3.35Å; S254-C256 VanDerWaalsContact C-N 3.34Å |
| 255 | T | 81.3 | Confident | 86.8 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.8 | -34.2 | 178.4 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | R137 K251 A252 F253 | R137-T255 PolarHBondContact NE-O 3.46Å; R137-T255 PolarHBondContact NH2-O 2.85Å; R137-T255 VanDerWaalsContact NH2-O 3.11Å; K251-T255 PolarHBondContact O-N 3.32Å; K251-T255 VanDerWaalsContact O-N 3.11Å; K251-T255 PolarHBondContact O-OG1 3.48Å; A252-T255 PolarHBondContact O-N 3.37Å; F253-T255 VanDerWaalsContact C-N 3.26Å; F253-T255 PolarHBondContact O-N 3.4Å |
| 256 | C | 86.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.02 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -85.8 | -21.2 | -178.3 | -77.1 | 0 | 0 | 0 | 0 | 114.2 | I141 Y233 A252 F253 S254 S258 H259 L260 | I141-C256 WeakPolarHBondContact CD1-SG 3.38Å; Y233-C256 HydrophobicContact CE1-CB 3.92Å; A252-C256 PolarHBondContact O-N 2.95Å; F253-C256 PolarHBondContact O-N 2.91Å; S254-C256 VanDerWaalsContact C-N 3.34Å; C256-S258 PolarHBondContact O-N 3.28Å; C256-H259 PolarHBondContact O-N 3.37Å; C256-L260 PolarHBondContact O-N 3.41Å |
| 257 | A | 87.7 | Confident | 86.5 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F253 H259 L260 I261 | F253-A257 PolarHBondContact O-N 3.13Å; A257-H259 PolarHBondContact O-N 3.36Å; A257-L260 PolarHBondContact O-N 2.88Å; A257-I261 WeakPolarHBondContact O-CD1 3.4Å; A257-I261 WeakPolarHBondContact O-CG1 3.24Å; A257-I261 PolarHBondContact O-N 2.88Å |
| 258 | S | 88 | Confident | 86.4 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 179.5 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | C256 I261 S262 I304 | C256-S258 PolarHBondContact O-N 3.28Å; S258-I261 PolarHBondContact O-N 3.41Å; S258-S262 PolarHBondContact O-N 2.79Å; S258-I304 WeakPolarHBondContact O-CG2 3.34Å |
| 259 | H | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 178.3 | -176.2 | -113.4 | 0 | 0 | 0 | 111.8 | M74 L130 M133 A134 Y233 C256 A257 I261 S262 V263 | M74-H259 HydrophobicContact CE-CB 4.31Å; L130-H259 PolarHBondContact O-CE1 3.4Å; L130-H259 VanDerWaalsContact O-CE1 3.23Å; L130-H259 PolarHBondContact O-NE2 2.89Å; L130-H259 VanDerWaalsContact O-NE2 3.13Å; M133-H259 WeakPolarHBondContact CB-NE2 3.44Å; A134-H259 PolarHBondContact N-CE1 3.2Å; Y233-H259 AromaticContact CE2-ND1 3.57Å; Y233-H259 AromaticContact CZ-ND1 3.6Å; Y233-H259 PolarHBondContact OH-ND1 3.04Å; C256-H259 PolarHBondContact O-N 3.37Å; A257-H259 PolarHBondContact O-N 3.36Å; H259-I261 VanDerWaalsContact C-N 3.31Å; H259-I261 PolarHBondContact O-N 3.03Å; H259-S262 PolarHBondContact O-N 3.5Å; H259-V263 WeakPolarHBondContact O-CG2 3.49Å; H259-V263 PolarHBondContact O-N 3.39Å |
| 260 | L | 91 | Very high | 85.7 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.7 | -76.5 | 173.9 | 0 | 0 | 0 | 112.6 | Y233 C256 A257 V263 M264 | Y233-L260 HydrophobicContact CD1-CD1 4.07Å; Y233-L260 HydrophobicContact CD1-CD2 3.7Å; Y233-L260 HydrophobicContact CD1-CG 4.08Å; Y233-L260 HydrophobicContact CD2-CD2 3.94Å; Y233-L260 HydrophobicContact CE1-CD1 3.66Å; Y233-L260 HydrophobicContact CE1-CD2 3.44Å; Y233-L260 VanDerWaalsContact CE1-CD2 3.44Å; Y233-L260 HydrophobicContact CE1-CG 3.42Å; Y233-L260 VanDerWaalsContact CE1-CG 3.42Å; Y233-L260 HydrophobicContact CE2-CD2 3.7Å; Y233-L260 HydrophobicContact CE2-CG 4.32Å; Y233-L260 HydrophobicContact CG-CD2 3.94Å; Y233-L260 VanDerWaalsContact CZ-CD2 3.43Å; C256-L260 PolarHBondContact O-N 3.41Å; A257-L260 PolarHBondContact O-N 2.88Å; L260-V263 PolarHBondContact O-N 3.42Å; L260-M264 WeakPolarHBondContact O-CB 3.46Å; L260-M264 WeakPolarHBondContact O-CG 3.34Å; L260-M264 PolarHBondContact O-N 3.29Å |
| 261 | I | 90.3 | Very high | 85.3 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.6 | -68.4 | 163.5 | 0 | 0 | 0 | 110.3 | A257 S258 H259 M264 L265 I304 | A257-I261 WeakPolarHBondContact O-CD1 3.4Å; A257-I261 WeakPolarHBondContact O-CG1 3.24Å; A257-I261 PolarHBondContact O-N 2.88Å; S258-I261 PolarHBondContact O-N 3.41Å; H259-I261 VanDerWaalsContact C-N 3.31Å; H259-I261 PolarHBondContact O-N 3.03Å; I261-M264 PolarHBondContact O-N 2.89Å; I261-L265 HydrophobicContact CG2-CD1 3.93Å; I261-L265 HydrophobicContact CG2-CG 4.45Å; I261-L265 WeakPolarHBondContact O-CB 3.48Å; I261-L265 WeakPolarHBondContact O-CG 3.4Å; I261-L265 PolarHBondContact O-N 2.81Å; I261-I304 HydrophobicContact CB-CG2 4.27Å; I261-I304 HydrophobicContact CG2-CD1 3.85Å; I261-I304 HydrophobicContact CG2-CG1 4.02Å; I261-I304 HydrophobicContact CG2-CG2 4.24Å |
| 262 | S | 89.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | S258 H259 M264 L265 F266 N301 Y305 | S258-S262 PolarHBondContact O-N 2.79Å; H259-S262 PolarHBondContact O-N 3.5Å; S262-M264 PolarHBondContact O-N 2.62Å; S262-L265 PolarHBondContact O-N 3.25Å; S262-F266 WeakPolarHBondContact O-CB 3.45Å; S262-F266 PolarHBondContact O-N 3.12Å; S262-N301 PolarHBondContact OG-OD1 3.46Å; S262-Y305 WeakPolarHBondContact CB-OH 3.48Å; S262-Y305 PolarHBondContact OG-OH 3.09Å |
| 263 | V | 91.1 | Very high | 83.8 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 173.9 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | L130 I229 H259 L260 F266 Y267 | L130-V263 HydrophobicContact CB-CG2 4.37Å; L130-V263 HydrophobicContact CD2-CG2 4.18Å; I229-V263 HydrophobicContact CD1-CG1 4.4Å; I229-V263 HydrophobicContact CD1-CG2 4.33Å; I229-V263 HydrophobicContact CG2-CG1 4.16Å; I229-V263 HydrophobicContact CG2-CG2 4.48Å; H259-V263 WeakPolarHBondContact O-CG2 3.49Å; H259-V263 PolarHBondContact O-N 3.39Å; L260-V263 PolarHBondContact O-N 3.42Å; V263-F266 PolarHBondContact O-N 2.88Å; V263-Y267 HydrophobicContact CG1-CD2 3.9Å; V263-Y267 HydrophobicContact CG1-CE2 4.44Å; V263-Y267 WeakPolarHBondContact O-CB 3.24Å; V263-Y267 PolarHBondContact O-N 3.49Å |
| 264 | M | 89.3 | Confident | 82.9 | Confident | 134 Ų | 134 | 48 Ų | 48 | 66% | 0.66 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | -179.6 | -73.7 | -57.5 | -57.1 | 0 | 0 | 112.2 | L260 I261 S262 G268 | L260-M264 WeakPolarHBondContact O-CB 3.46Å; L260-M264 WeakPolarHBondContact O-CG 3.34Å; L260-M264 PolarHBondContact O-N 3.29Å; I261-M264 PolarHBondContact O-N 2.89Å; S262-M264 PolarHBondContact O-N 2.62Å; M264-G268 WeakPolarHBondContact O-CA 3.3Å; M264-G268 PolarHBondContact O-N 2.73Å |
| 265 | L | 86.5 | Confident | 81.9 | Confident | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 176.2 | -75.3 | 170.4 | 0 | 0 | 0 | 111.5 | I261 S262 S269 N297 L300 I304 | I261-L265 HydrophobicContact CG2-CD1 3.93Å; I261-L265 HydrophobicContact CG2-CG 4.45Å; I261-L265 WeakPolarHBondContact O-CB 3.48Å; I261-L265 WeakPolarHBondContact O-CG 3.4Å; I261-L265 PolarHBondContact O-N 2.81Å; S262-L265 PolarHBondContact O-N 3.25Å; L265-S269 VanDerWaalsContact O-CB 3.23Å; L265-S269 WeakPolarHBondContact O-CB 3.42Å; L265-S269 PolarHBondContact O-N 3.09Å; L265-S269 VanDerWaalsContact O-N 3.11Å; L265-S269 PolarHBondContact O-OG 3.36Å; L265-N297 PolarHBondContact O-ND2 3.22Å; L265-L300 HydrophobicContact CD1-CB 4.38Å; L265-L300 HydrophobicContact CD1-CD1 3.98Å; L265-L300 HydrophobicContact CD2-CD1 4.39Å; L265-I304 HydrophobicContact CD1-CD1 3.38Å |
| 266 | F | 86.3 | Confident | 80.8 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 7% | 0.066 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -66.8 | 179.6 | -176.7 | -102.2 | 0 | 0 | 0 | 111.1 | E126 C127 L130 S262 V263 G268 S269 L270 | E126-F266 HydrophobicContact CB-CE2 4.07Å; E126-F266 HydrophobicContact CB-CZ 4.04Å; E126-F266 HydrophobicContact CG-CD2 3.89Å; E126-F266 HydrophobicContact CG-CE1 4.36Å; E126-F266 HydrophobicContact CG-CE2 3.66Å; E126-F266 HydrophobicContact CG-CG 4.34Å; E126-F266 HydrophobicContact CG-CZ 3.9Å; E126-F266 WeakPolarHBondContact OE1-CD2 3.44Å; E126-F266 WeakPolarHBondContact OE2-CD2 3.44Å; E126-F266 WeakPolarHBondContact OE2-CE2 2.97Å; C127-F266 VanDerWaalsContact SG-CE1 3.54Å; L130-F266 HydrophobicContact CD1-CB 3.95Å; L130-F266 HydrophobicContact CD1-CD1 3.63Å; L130-F266 HydrophobicContact CD1-CE1 4.33Å; L130-F266 HydrophobicContact CD1-CG 3.88Å; S262-F266 WeakPolarHBondContact O-CB 3.45Å; S262-F266 PolarHBondContact O-N 3.12Å; V263-F266 PolarHBondContact O-N 2.88Å; F266-G268 VanDerWaalsContact C-N 3.32Å; F266-G268 PolarHBondContact O-N 3.4Å; F266-S269 PolarHBondContact O-N 2.78Å; F266-S269 VanDerWaalsContact O-N 3.15Å; F266-L270 HydrophobicContact CD1-CD1 3.66Å; F266-L270 HydrophobicContact CD2-CD1 4.19Å; F266-L270 HydrophobicContact CE1-CD1 3.36Å; F266-L270 HydrophobicContact CE2-CD1 3.93Å; F266-L270 HydrophobicContact CG-CD1 4.07Å; F266-L270 HydrophobicContact CZ-CD1 3.52Å; F266-L270 WeakPolarHBondContact O-CD1 3.27Å; F266-L270 PolarHBondContact O-N 2.02Å; F266-L270 VanDerWaalsContact O-N 3.11Å |
| 267 | Y | 85.3 | Confident | 79 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.2 | -31.2 | -176.7 | -73.4 | -75.1 | 0 | 0 | 0 | 113.2 | C127 L130 V222 S225 I226 I229 V263 S269 L270 L271 | C127-Y267 WeakPolarHBondContact CA-OH 3.49Å; C127-Y267 WeakPolarHBondContact CB-OH 3.33Å; L130-Y267 HydrophobicContact CD1-CD2 4.49Å; L130-Y267 HydrophobicContact CD1-CE2 4.01Å; V222-Y267 HydrophobicContact CG1-CD1 4.36Å; V222-Y267 HydrophobicContact CG1-CE1 4.09Å; S225-Y267 WeakPolarHBondContact CB-OH 2.93Å; I226-Y267 HydrophobicContact CD1-CD1 3.72Å; I226-Y267 HydrophobicContact CD1-CE1 3.95Å; I226-Y267 HydrophobicContact CD1-CG 4.43Å; I226-Y267 HydrophobicContact CG1-CD1 3.69Å; I226-Y267 HydrophobicContact CG1-CE1 3.56Å; I226-Y267 HydrophobicContact CG1-CE2 4.49Å; I226-Y267 HydrophobicContact CG1-CG 4.22Å; I229-Y267 HydrophobicContact CD1-CD2 4.48Å; I229-Y267 HydrophobicContact CD1-CE2 3.59Å; V263-Y267 HydrophobicContact CG1-CD2 3.9Å; V263-Y267 HydrophobicContact CG1-CE2 4.44Å; V263-Y267 WeakPolarHBondContact O-CB 3.24Å; V263-Y267 PolarHBondContact O-N 3.49Å; Y267-S269 VanDerWaalsContact C-N 3.34Å; Y267-L270 PolarHBondContact O-N 3.13Å; Y267-L271 WeakPolarHBondContact O-CB 3.05Å; Y267-L271 WeakPolarHBondContact O-CG 3.38Å; Y267-L271 PolarHBondContact O-N 3.36Å |
| 268 | G | 82.9 | Confident | 77.3 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M264 F266 F272 | M264-G268 WeakPolarHBondContact O-CA 3.3Å; M264-G268 PolarHBondContact O-N 2.73Å; F266-G268 VanDerWaalsContact C-N 3.32Å; F266-G268 PolarHBondContact O-N 3.4Å; G268-F272 VanDerWaalsContact O-CB 3.29Å; G268-F272 WeakPolarHBondContact O-CB 3.44Å; G268-F272 PolarHBondContact O-N 3.41Å |
| 269 | S | 78.5 | Confident | 75.2 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 175 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | L265 F266 Y267 F272 M273 N297 | L265-S269 VanDerWaalsContact O-CB 3.23Å; L265-S269 WeakPolarHBondContact O-CB 3.42Å; L265-S269 PolarHBondContact O-N 3.09Å; L265-S269 VanDerWaalsContact O-N 3.11Å; L265-S269 PolarHBondContact O-OG 3.36Å; F266-S269 PolarHBondContact O-N 2.78Å; F266-S269 VanDerWaalsContact O-N 3.15Å; Y267-S269 VanDerWaalsContact C-N 3.34Å; S269-F272 PolarHBondContact O-N 3.06Å; S269-M273 WeakPolarHBondContact O-CB 3.5Å; S269-M273 PolarHBondContact O-N 2.96Å; S269-N297 PolarHBondContact OG-ND2 3.44Å |
| 270 | L | 76.2 | Confident | 73.2 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.9 | -52 | 173.9 | -86.5 | 126 | 0 | 0 | 0 | 111.6 | F266 Y267 F272 M273 Y274 | F266-L270 HydrophobicContact CD1-CD1 3.66Å; F266-L270 HydrophobicContact CD2-CD1 4.19Å; F266-L270 HydrophobicContact CE1-CD1 3.36Å; F266-L270 HydrophobicContact CE2-CD1 3.93Å; F266-L270 HydrophobicContact CG-CD1 4.07Å; F266-L270 HydrophobicContact CZ-CD1 3.52Å; F266-L270 WeakPolarHBondContact O-CD1 3.27Å; F266-L270 PolarHBondContact O-N 2.02Å; F266-L270 VanDerWaalsContact O-N 3.11Å; Y267-L270 PolarHBondContact O-N 3.13Å; L270-F272 VanDerWaalsContact C-N 3.31Å; L270-F272 PolarHBondContact O-N 3.2Å; L270-M273 WeakPolarHBondContact O-CB 3.29Å; L270-M273 PolarHBondContact O-N 2.87Å; L270-M273 VanDerWaalsContact O-N 3.14Å; L270-Y274 HydrophobicContact CD2-CD2 4.38Å; L270-Y274 HydrophobicContact CD2-CE2 4Å; L270-Y274 WeakPolarHBondContact O-CD2 3.28Å; L270-Y274 PolarHBondContact O-N 2.97Å |
| 271 | L | 75.6 | Confident | 71.4 | Confident | 100 Ų | 100 | 69 Ų | 69 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 179.8 | -74.1 | 170.9 | 0 | 0 | 0 | 111.9 | Y267 M273 Y274 S275 | Y267-L271 WeakPolarHBondContact O-CB 3.05Å; Y267-L271 WeakPolarHBondContact O-CG 3.38Å; Y267-L271 PolarHBondContact O-N 3.36Å; L271-M273 VanDerWaalsContact C-N 3.28Å; L271-M273 PolarHBondContact O-N 3.24Å; L271-Y274 PolarHBondContact O-N 3.49Å; L271-S275 WeakPolarHBondContact O-CB 3.46Å; L271-S275 PolarHBondContact O-N 2.77Å; L271-S275 PolarHBondContact O-OG 3.49Å |
| 272 | F | 70.8 | Confident | 69.6 | Low | 109 Ų | 109 | 68.3 Ų | 68.3 | 48% | 0.478 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.8 | 179.1 | -99.5 | 0 | 0 | 0 | 112.7 | G268 S269 L270 R276 A289 | G268-F272 VanDerWaalsContact O-CB 3.29Å; G268-F272 WeakPolarHBondContact O-CB 3.44Å; G268-F272 PolarHBondContact O-N 3.41Å; S269-F272 PolarHBondContact O-N 3.06Å; L270-F272 VanDerWaalsContact C-N 3.31Å; L270-F272 PolarHBondContact O-N 3.2Å; F272-R276 WeakPolarHBondContact O-CG 3.46Å; F272-A289 HydrophobicContact CD1-CB 4.28Å; F272-A289 HydrophobicContact CE1-CB 3.95Å |
| 273 | M | 66.1 | Low | 68 | Low | 46 Ų | 46 | 70.4 Ų | 70.4 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.3 | -48.3 | 177.3 | -170.4 | -167.6 | -158.6 | 0 | 0 | 111.7 | D195 P197 S269 L270 L271 Y293 | D195-M273 WeakPolarHBondContact OD2-CE 3.5Å; P197-M273 HydrophobicContact CG-CE 4.4Å; S269-M273 WeakPolarHBondContact O-CB 3.5Å; S269-M273 PolarHBondContact O-N 2.96Å; L270-M273 WeakPolarHBondContact O-CB 3.29Å; L270-M273 PolarHBondContact O-N 2.87Å; L270-M273 VanDerWaalsContact O-N 3.14Å; L271-M273 VanDerWaalsContact C-N 3.28Å; L271-M273 PolarHBondContact O-N 3.24Å; M273-Y293 HydrophobicContact CE-CE1 3.55Å; M273-Y293 WeakPolarHBondContact CE-OH 2.84Å; M273-Y293 HydrophobicContact SD-CE1 3.79Å |
| 274 | Y | 64.3 | Low | 66.4 | Low | 127 Ų | 127 | 77.5 Ų | 77.5 | 50% | 0.498 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -91.6 | -14.3 | -169.3 | -68.6 | -73.6 | 0 | 0 | 0 | 115.2 | L270 L271 | L270-Y274 HydrophobicContact CD2-CD2 4.38Å; L270-Y274 HydrophobicContact CD2-CE2 4Å; L270-Y274 WeakPolarHBondContact O-CD2 3.28Å; L270-Y274 PolarHBondContact O-N 2.97Å; L271-Y274 PolarHBondContact O-N 3.49Å |
| 275 | S | 61.6 | Low | 64.9 | Low | 85 Ų | 85 | 78 Ų | 78 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7.6 | -179.4 | -48.9 | 0 | 0 | 0 | 0 | 113.8 | L271 P277 | L271-S275 WeakPolarHBondContact O-CB 3.46Å; L271-S275 PolarHBondContact O-N 2.77Å; L271-S275 PolarHBondContact O-OG 3.49Å; S275-P277 WeakPolarHBondContact O-CD 3.3Å |
| 276 | R | 57.2 | Low | 63.8 | Low | 103 Ų | 103 | 78.4 Ų | 78.4 | 39% | 0.389 | 42% | 0.415 | S | S | . | . | trans | -83 | 121.5 | -175.7 | -72.6 | -84.8 | -153.7 | 171.4 | 8.7 | 110.8 | F272 | F272-R276 WeakPolarHBondContact O-CG 3.46Š| ||
| 277 | P | 49.1 | Very low | 62.9 | Low | 78 Ų | 78 | 78.7 Ų | 78.7 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | trans | -67.3 | 140.8 | 174.1 | 23 | -26.2 | 0 | 0 | 0 | 110.5 | S275 S279 T280 | S275-P277 WeakPolarHBondContact O-CD 3.3Å; P277-S279 PolarHBondContact O-N 3.23Å; P277-T280 PolarHBondContact O-N 3.28Å; P277-T280 VanDerWaalsContact O-N 3.11Å | ||
| 278 | S | 53 | Low | 62 | Low | 117 Ų | 117 | 81.5 Ų | 81.5 | 82% | 0.818 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -55.6 | -14.8 | -178.2 | -42.6 | 0 | 0 | 0 | 0 | 114.3 | Y281 | S278-Y281 WeakPolarHBondContact O-CB 3.39Š|
| 279 | S | 42.9 | Very low | 61.1 | Low | 110 Ų | 110 | 80.7 Ų | 80.7 | 77% | 0.769 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -81 | -18.1 | -179.8 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | P277 | P277-S279 PolarHBondContact O-N 3.23Š|
| 280 | T | 50.6 | Low | 60.7 | Low | 80 Ų | 80 | 79.8 Ų | 79.8 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -105.3 | 17.2 | 178.6 | -18.9 | 0 | 0 | 0 | 0 | 112.8 | P277 S282 | P277-T280 PolarHBondContact O-N 3.28Å; P277-T280 VanDerWaalsContact O-N 3.11Å; T280-S282 PolarHBondContact O-N 2.81Å |
| 281 | Y | 51.9 | Low | 60.5 | Low | 114 Ų | 114 | 79 Ų | 79 | 45% | 0.447 | 41% | 0.414 | S | S | . | . | trans | -66.4 | 122.9 | -172.3 | -176.1 | -100.5 | 0 | 0 | 0 | 111.7 | K201 S278 D286 | K201-Y281 PolarHBondContact NZ-OH 3.45Å; K201-Y281 VanDerWaalsContact NZ-OH 3.09Å; S278-Y281 WeakPolarHBondContact O-CB 3.39Å; Y281-D286 WeakPolarHBondContact CE2-OD2 3.31Å | ||
| 282 | S | 53.7 | Low | 60.2 | Low | 44 Ų | 44 | 79.3 Ų | 79.3 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | trans | -141.2 | 127.2 | 168.5 | 57.8 | 0 | 0 | 0 | 0 | 109.2 | T280 E284 R285 D286 | T280-S282 PolarHBondContact O-N 2.81Å; S282-E284 PolarHBondContact O-N 2.81Å; S282-R285 WeakPolarHBondContact O-CB 3.43Å; S282-R285 PolarHBondContact O-N 3Å; S282-R285 VanDerWaalsContact O-N 3.07Å; S282-R285 WeakPolarHBondContact OG-CB 3.46Å; S282-D286 PolarHBondContact O-N 3.11Å | ||
| 283 | L | 54.6 | Low | 60.2 | Low | 43 Ų | 43 | 75.3 Ų | 75.3 | 23% | 0.225 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.4 | -30.6 | -165.4 | -169.5 | 124 | 0 | 0 | 0 | 113.5 | D190 R285 D286 K287 | D190-L283 HydrophobicContact CB-CD1 3.74Å; D190-L283 HydrophobicContact CB-CD2 4.17Å; D190-L283 VanDerWaalsContact OD1-CD2 3.24Å; D190-L283 WeakPolarHBondContact OD1-CD2 3.19Å; D190-L283 WeakPolarHBondContact OD2-CD1 3.38Å; D190-L283 WeakPolarHBondContact OD2-CD2 3.34Å; L283-R285 PolarHBondContact O-N 3.31Å; L283-D286 PolarHBondContact O-N 3.4Å; L283-K287 HydrophobicContact CD2-CD 4.4Å; L283-K287 WeakPolarHBondContact O-CG 2.84Å; L283-K287 PolarHBondContact O-N 3.44Å |
| 284 | E | 58.3 | Low | 60.5 | Low | 164 Ų | 164 | 73.1 Ų | 73.1 | 77% | 0.766 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.7 | -32.9 | 171.3 | -64.5 | -177.2 | 161.8 | 0 | 0 | 112.1 | S282 V288 | S282-E284 PolarHBondContact O-N 2.81Å; E284-V288 WeakPolarHBondContact O-CG2 3.4Å; E284-V288 PolarHBondContact O-N 3.28Å |
| 285 | R | 57.4 | Low | 60.9 | Low | 143 Ų | 143 | 67.3 Ų | 67.3 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -81.8 | -30 | -176 | -137.4 | 179.9 | -84.3 | -175.8 | -9.7 | 112.1 | S282 L283 V288 A289 | S282-R285 WeakPolarHBondContact O-CB 3.43Å; S282-R285 PolarHBondContact O-N 3Å; S282-R285 VanDerWaalsContact O-N 3.07Å; S282-R285 WeakPolarHBondContact OG-CB 3.46Å; L283-R285 PolarHBondContact O-N 3.31Å; R285-V288 PolarHBondContact O-N 2.66Å; R285-A289 WeakPolarHBondContact O-CB 3.11Å; R285-A289 PolarHBondContact O-N 2.69Å |
| 286 | D | 63.4 | Low | 61.7 | Low | 61 Ų | 61 | 65.7 Ų | 65.7 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 169.4 | -76.6 | -5.4 | 0 | 0 | 0 | 111.1 | Y281 S282 L283 V288 A289 A290 | Y281-D286 WeakPolarHBondContact CE2-OD2 3.31Å; S282-D286 PolarHBondContact O-N 3.11Å; L283-D286 PolarHBondContact O-N 3.4Å; D286-V288 VanDerWaalsContact C-N 3.31Å; D286-V288 PolarHBondContact O-N 2.64Å; D286-A289 PolarHBondContact O-N 2.93Å; D286-A290 VanDerWaalsContact O-CB 3.3Å; D286-A290 WeakPolarHBondContact O-CB 3.35Å; D286-A290 PolarHBondContact O-N 2.94Å |
| 287 | K | 67.9 | Low | 62.8 | Low | 21 Ų | 21 | 61.1 Ų | 61.1 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.4 | -71.8 | -179.2 | -175.7 | 175.9 | 0 | 111.8 | G31 F32 D190 F192 L283 A290 L291 | G31-K287 WeakPolarHBondContact O-CE 3.47Å; G31-K287 PolarHBondContact O-NZ 2.86Å; F32-K287 HydrophobicContact CE2-CB 4.02Å; F32-K287 HydrophobicContact CZ-CB 4.41Å; D190-K287 WeakPolarHBondContact O-CE 3.38Å; D190-K287 IonicContact OD1-NZ 3.39Å; D190-K287 PolarHBondContact OD1-NZ 3.22Å; F192-K287 HydrophobicContact CD1-CB 4.22Å; F192-K287 HydrophobicContact CD1-CD 4.34Å; F192-K287 HydrophobicContact CD1-CG 3.92Å; F192-K287 HydrophobicContact CE1-CB 3.72Å; F192-K287 HydrophobicContact CE1-CG 3.87Å; F192-K287 WeakPolarHBondContact CE1-O 3.04Å; L283-K287 HydrophobicContact CD2-CD 4.4Å; L283-K287 WeakPolarHBondContact O-CG 2.84Å; L283-K287 PolarHBondContact O-N 3.44Å; K287-A290 WeakPolarHBondContact O-CB 3.48Å; K287-A290 PolarHBondContact O-N 3.23Å; K287-L291 WeakPolarHBondContact O-CG 3.48Å; K287-L291 PolarHBondContact O-N 2.81Å |
| 288 | V | 65.9 | Low | 64.2 | Low | 71 Ų | 71 | 57.4 Ų | 57.4 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | E284 R285 D286 A290 L291 F292 | E284-V288 WeakPolarHBondContact O-CG2 3.4Å; E284-V288 PolarHBondContact O-N 3.28Å; R285-V288 PolarHBondContact O-N 2.66Å; D286-V288 VanDerWaalsContact C-N 3.31Å; D286-V288 PolarHBondContact O-N 2.64Å; V288-A290 VanDerWaalsContact C-N 3.27Å; V288-A290 PolarHBondContact O-N 3.34Å; V288-L291 WeakPolarHBondContact O-CB 3.19Å; V288-L291 PolarHBondContact O-N 3.09Å; V288-L291 VanDerWaalsContact O-N 3.12Å; V288-F292 HydrophobicContact CG1-CD2 4.35Å; V288-F292 HydrophobicContact CG1-CE2 4.1Å; V288-F292 WeakPolarHBondContact O-CD2 3.31Å; V288-F292 PolarHBondContact O-N 2.82Å |
| 289 | A | 64.2 | Low | 65.6 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F272 R285 D286 L291 F292 Y293 | F272-A289 HydrophobicContact CD1-CB 4.28Å; F272-A289 HydrophobicContact CE1-CB 3.95Å; R285-A289 WeakPolarHBondContact O-CB 3.11Å; R285-A289 PolarHBondContact O-N 2.69Å; D286-A289 PolarHBondContact O-N 2.93Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 PolarHBondContact O-N 2.84Å; A289-F292 WeakPolarHBondContact O-CB 3.38Å; A289-F292 PolarHBondContact O-N 3.46Å; A289-F292 VanDerWaalsContact O-N 3.09Å; A289-Y293 VanDerWaalsContact O-CD1 3.27Å; A289-Y293 WeakPolarHBondContact O-CD1 3.21Å |
| 290 | A | 69.1 | Low | 67.5 | Low | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.7 | -39.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F192 F193 D286 K287 V288 F292 Y293 T294 | F192-A290 HydrophobicContact CE1-CB 4.01Å; F192-A290 HydrophobicContact CE2-CB 4.41Å; F192-A290 HydrophobicContact CZ-CB 3.5Å; F193-A290 HydrophobicContact CE1-CB 3.88Å; F193-A290 HydrophobicContact CZ-CB 3.71Å; D286-A290 VanDerWaalsContact O-CB 3.3Å; D286-A290 WeakPolarHBondContact O-CB 3.35Å; D286-A290 PolarHBondContact O-N 2.94Å; K287-A290 WeakPolarHBondContact O-CB 3.48Å; K287-A290 PolarHBondContact O-N 3.23Å; V288-A290 VanDerWaalsContact C-N 3.27Å; V288-A290 PolarHBondContact O-N 3.34Å; A290-F292 VanDerWaalsContact C-N 3.3Å; A290-F292 PolarHBondContact O-N 2.86Å; A290-Y293 HydrophobicContact CB-CE1 4.13Å; A290-T294 WeakPolarHBondContact O-CB 3.34Å; A290-T294 WeakPolarHBondContact O-CG2 3.17Å; A290-T294 PolarHBondContact O-N 3.04Å; A290-T294 PolarHBondContact O-OG1 3.4Å |
| 291 | L | 72.3 | Confident | 69 | Low | 28 Ų | 28 | 47.2 Ų | 47.2 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 174.8 | -66.6 | -175.8 | 0 | 0 | 0 | 113.1 | F32 F46 F192 K287 V288 A289 V295 I296 | F32-L291 HydrophobicContact CE1-CD1 4.44Å; F32-L291 HydrophobicContact CE2-CD1 3.52Å; F32-L291 HydrophobicContact CE2-CD2 4Å; F32-L291 HydrophobicContact CE2-CG 3.74Å; F32-L291 HydrophobicContact CZ-CD1 3.39Å; F32-L291 HydrophobicContact CZ-CG 4.09Å; F46-L291 HydrophobicContact CE1-CD1 4.38Å; F46-L291 HydrophobicContact CE1-CD2 3.48Å; F46-L291 VanDerWaalsContact CE1-CD2 3.48Å; F46-L291 HydrophobicContact CZ-CD1 4.27Å; F46-L291 HydrophobicContact CZ-CD2 3.72Å; F192-L291 HydrophobicContact CE2-CD2 4.04Å; F192-L291 HydrophobicContact CZ-CD2 3.79Å; F192-L291 HydrophobicContact CZ-CG 4.22Å; K287-L291 WeakPolarHBondContact O-CG 3.48Å; K287-L291 PolarHBondContact O-N 2.81Å; V288-L291 WeakPolarHBondContact O-CB 3.19Å; V288-L291 PolarHBondContact O-N 3.09Å; V288-L291 VanDerWaalsContact O-N 3.12Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 PolarHBondContact O-N 2.84Å; L291-V295 HydrophobicContact CD2-CG2 4.15Å; L291-V295 WeakPolarHBondContact O-CA 3.19Å; L291-V295 WeakPolarHBondContact O-CB 3.22Å; L291-V295 PolarHBondContact O-N 3.49Å; L291-I296 PolarHBondContact O-N 2.82Å |
| 292 | F | 69.8 | Low | 70.2 | Confident | 106 Ų | 106 | 42.2 Ų | 42.2 | 47% | 0.465 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -62 | -49.3 | -178.7 | -90 | -89.9 | 0 | 0 | 0 | 111.7 | V288 A289 A290 I296 N297 | V288-F292 HydrophobicContact CG1-CD2 4.35Å; V288-F292 HydrophobicContact CG1-CE2 4.1Å; V288-F292 WeakPolarHBondContact O-CD2 3.31Å; V288-F292 PolarHBondContact O-N 2.82Å; A289-F292 WeakPolarHBondContact O-CB 3.38Å; A289-F292 PolarHBondContact O-N 3.46Å; A289-F292 VanDerWaalsContact O-N 3.09Å; A290-F292 VanDerWaalsContact C-N 3.3Å; A290-F292 PolarHBondContact O-N 2.86Å; F292-I296 HydrophobicContact CD1-CB 4.35Å; F292-I296 HydrophobicContact CD1-CD1 3.7Å; F292-I296 HydrophobicContact CD1-CG2 4.35Å; F292-I296 HydrophobicContact CD2-CD1 4.13Å; F292-I296 HydrophobicContact CE1-CD1 3.74Å; F292-I296 HydrophobicContact CE2-CD1 4.16Å; F292-I296 HydrophobicContact CG-CD1 3.91Å; F292-I296 HydrophobicContact CZ-CD1 3.97Å; F292-I296 CarbonylContact O-C 3.57Å; F292-I296 WeakPolarHBondContact O-CA 3.31Å; F292-I296 WeakPolarHBondContact O-CB 3.27Å; F292-I296 PolarHBondContact O-N 3.38Å; F292-N297 PolarHBondContact O-N 3.41Å |
| 293 | Y | 70.9 | Confident | 71.5 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -83.8 | -30.1 | -179.1 | 69.1 | -94.4 | 0 | 0 | 0 | 113.9 | Y88 F193 D195 M273 A289 A290 P298 | Y88-Y293 HydrophobicContact CE1-CD2 4.16Å; Y88-Y293 WeakPolarHBondContact CE1-O 3.32Å; Y88-Y293 WeakPolarHBondContact OH-CD2 3.32Å; Y88-Y293 WeakPolarHBondContact OH-CE2 3.4Å; F193-Y293 HydrophobicContact CZ-CE2 4.36Å; F193-Y293 VanDerWaalsContact CZ-OH 3.24Å; F193-Y293 WeakPolarHBondContact CZ-OH 3.19Å; D195-Y293 PolarHBondContact OD2-OH 2.86Å; M273-Y293 HydrophobicContact CE-CE1 3.55Å; M273-Y293 WeakPolarHBondContact CE-OH 2.84Å; M273-Y293 HydrophobicContact SD-CE1 3.79Å; A289-Y293 VanDerWaalsContact O-CD1 3.27Å; A289-Y293 WeakPolarHBondContact O-CD1 3.21Å; A290-Y293 HydrophobicContact CB-CE1 4.13Å; Y293-P298 WeakPolarHBondContact O-CD 3.38Å |
| 294 | T | 71.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -84.1 | -27.4 | -178.4 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | Y88 Y92 F193 A290 | Y88-T294 HydrophobicContact CE1-CG2 4.22Å; Y92-T294 HydrophobicContact CD2-CG2 3.71Å; Y92-T294 HydrophobicContact CE2-CG2 3.81Å; Y92-T294 HydrophobicContact CG-CG2 4.09Å; F193-T294 HydrophobicContact CE1-CG2 3.76Å; F193-T294 HydrophobicContact CZ-CG2 3.68Å; A290-T294 WeakPolarHBondContact O-CB 3.34Å; A290-T294 WeakPolarHBondContact O-CG2 3.17Å; A290-T294 PolarHBondContact O-N 3.04Å; A290-T294 PolarHBondContact O-OG1 3.4Å |
| 295 | V | 74 | Confident | 73.9 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -121.9 | -47.5 | -174 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | L49 L291 L299 | L49-V295 HydrophobicContact CB-CG1 3.99Å; L49-V295 HydrophobicContact CD1-CG1 3.85Å; L49-V295 HydrophobicContact CG-CG1 4.43Å; L291-V295 HydrophobicContact CD2-CG2 4.15Å; L291-V295 WeakPolarHBondContact O-CA 3.19Å; L291-V295 WeakPolarHBondContact O-CB 3.22Å; L291-V295 PolarHBondContact O-N 3.49Å; V295-L299 VanDerWaalsContact O-CB 3.26Å; V295-L299 WeakPolarHBondContact O-CB 3.41Å; V295-L299 PolarHBondContact O-N 3.22Å |
| 296 | I | 77.6 | Confident | 74.8 | Confident | 51 Ų | 51 | 29.6 Ų | 29.6 | 26% | 0.262 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -76.4 | -43.9 | -172.7 | -57.2 | -179 | 0 | 0 | 0 | 111.4 | L291 F292 L299 L300 | L291-I296 PolarHBondContact O-N 2.82Å; F292-I296 HydrophobicContact CD1-CB 4.35Å; F292-I296 HydrophobicContact CD1-CD1 3.7Å; F292-I296 HydrophobicContact CD1-CG2 4.35Å; F292-I296 HydrophobicContact CD2-CD1 4.13Å; F292-I296 HydrophobicContact CE1-CD1 3.74Å; F292-I296 HydrophobicContact CE2-CD1 4.16Å; F292-I296 HydrophobicContact CG-CD1 3.91Å; F292-I296 HydrophobicContact CZ-CD1 3.97Å; F292-I296 CarbonylContact O-C 3.57Å; F292-I296 WeakPolarHBondContact O-CA 3.31Å; F292-I296 WeakPolarHBondContact O-CB 3.27Å; F292-I296 PolarHBondContact O-N 3.38Å; I296-L299 WeakPolarHBondContact O-CB 3.45Å; I296-L299 PolarHBondContact O-N 3.24Å; I296-L300 HydrophobicContact CG2-CD1 3.63Å; I296-L300 HydrophobicContact CG2-CG 3.95Å; I296-L300 WeakPolarHBondContact O-CB 3.49Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 3.14Å |
| 297 | N | 79.8 | Confident | 75.1 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -53.4 | 179.7 | -79.3 | 0.3 | 0 | 0 | 0 | 112.4 | L265 S269 F292 L299 L300 N301 | L265-N297 PolarHBondContact O-ND2 3.22Å; S269-N297 PolarHBondContact OG-ND2 3.44Å; F292-N297 PolarHBondContact O-N 3.41Å; N297-L299 PolarHBondContact O-N 2.93Å; N297-L300 PolarHBondContact O-N 3.41Å; N297-L300 VanDerWaalsContact O-N 3.1Å; N297-N301 PolarHBondContact O-N 2.98Å |
| 298 | P | 79.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -30.9 | 175.9 | -28.6 | 37.1 | 0 | 0 | 0 | 114.3 | T53 N57 D85 Y88 T89 Y293 P302 | T53-P298 HydrophobicContact CG2-CB 3.79Å; N57-P298 PolarHBondContact ND2-O 3.48Å; D85-P298 HydrophobicContact CB-CB 3.9Å; Y88-P298 HydrophobicContact CD1-CG 4.02Å; T89-P298 WeakPolarHBondContact OG1-CB 3.46Å; Y293-P298 WeakPolarHBondContact O-CD 3.38Å; P298-P302 WeakPolarHBondContact O-CD 3.21Å |
| 299 | L | 82.6 | Confident | 75.6 | Confident | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.3 | -40.2 | 176.5 | 179 | 71.2 | 0 | 0 | 0 | 111.8 | L49 I52 T53 V295 I296 N297 P302 | L49-L299 HydrophobicContact CD2-CD2 3.94Å; I52-L299 HydrophobicContact CB-CD1 4.19Å; I52-L299 HydrophobicContact CG2-CD1 3.55Å; T53-L299 WeakPolarHBondContact OG1-CD1 3.5Å; V295-L299 VanDerWaalsContact O-CB 3.26Å; V295-L299 WeakPolarHBondContact O-CB 3.41Å; V295-L299 PolarHBondContact O-N 3.22Å; I296-L299 WeakPolarHBondContact O-CB 3.45Å; I296-L299 PolarHBondContact O-N 3.24Å; N297-L299 PolarHBondContact O-N 2.93Å; L299-P302 WeakPolarHBondContact O-CD 3.33Å; L299-P302 WeakPolarHBondContact O-CG 3.32Å |
| 300 | L | 82.4 | Confident | 76.4 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -76.8 | -31.8 | -177.1 | -69.7 | 179.6 | 0 | 0 | 0 | 112.6 | L265 I296 N297 L303 I304 | L265-L300 HydrophobicContact CD1-CB 4.38Å; L265-L300 HydrophobicContact CD1-CD1 3.98Å; L265-L300 HydrophobicContact CD2-CD1 4.39Å; I296-L300 HydrophobicContact CG2-CD1 3.63Å; I296-L300 HydrophobicContact CG2-CG 3.95Å; I296-L300 WeakPolarHBondContact O-CB 3.49Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 3.14Å; N297-L300 PolarHBondContact O-N 3.41Å; N297-L300 VanDerWaalsContact O-N 3.1Å; L300-L303 HydrophobicContact CD2-CD1 4.38Å; L300-L303 WeakPolarHBondContact O-CB 3.02Å; L300-L303 PolarHBondContact O-N 3.45Å; L300-L303 VanDerWaalsContact O-N 3.07Å; L300-I304 HydrophobicContact CB-CD1 3.91Å; L300-I304 WeakPolarHBondContact O-CD1 3.45Å; L300-I304 WeakPolarHBondContact O-CG1 3.43Å; L300-I304 PolarHBondContact O-N 3.22Å |
| 301 | N | 81.1 | Confident | 76.9 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -50.5 | -55.2 | -178.9 | -88.1 | -11.5 | 0 | 0 | 0 | 113.8 | D85 S262 N297 L303 I304 Y305 | D85-N301 VanDerWaalsContact CG-ND2 3.28Å; D85-N301 PolarHBondContact OD1-ND2 3.27Å; D85-N301 WeakPolarHBondContact OD2-CB 3.16Å; D85-N301 PolarHBondContact OD2-ND2 3.14Å; S262-N301 PolarHBondContact OG-OD1 3.46Å; N297-N301 PolarHBondContact O-N 2.98Å; N301-L303 VanDerWaalsContact C-N 3.27Å; N301-L303 PolarHBondContact O-N 2.71Å; N301-I304 PolarHBondContact O-N 3.08Å; N301-Y305 WeakPolarHBondContact O-CD2 3.05Å; N301-Y305 PolarHBondContact O-N 3.37Å; N301-Y305 VanDerWaalsContact O-N 3.07Å |
| 302 | P | 77 | Confident | 77.2 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 178.5 | 22.8 | -32.5 | 0 | 0 | 0 | 111.7 | N57 L60 P298 L299 Y305 S306 | N57-P302 WeakPolarHBondContact OD1-CD 3.44Å; L60-P302 HydrophobicContact CD2-CB 4.29Å; P298-P302 WeakPolarHBondContact O-CD 3.21Å; L299-P302 WeakPolarHBondContact O-CD 3.33Å; L299-P302 WeakPolarHBondContact O-CG 3.32Å; P302-Y305 PolarHBondContact O-N 3.2Å; P302-S306 WeakPolarHBondContact O-CB 3.29Å; P302-S306 PolarHBondContact O-N 3.2Å; P302-S306 PolarHBondContact O-OG 3.17Å |
| 303 | L | 81.2 | Confident | 77.9 | Confident | 76 Ų | 76 | 47.9 Ų | 47.9 | 40% | 0.398 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.4 | -60.9 | 177.5 | 0 | 0 | 0 | 112.1 | L300 N301 Y305 L307 | L300-L303 HydrophobicContact CD2-CD1 4.38Å; L300-L303 WeakPolarHBondContact O-CB 3.02Å; L300-L303 PolarHBondContact O-N 3.45Å; L300-L303 VanDerWaalsContact O-N 3.07Å; N301-L303 VanDerWaalsContact C-N 3.27Å; N301-L303 PolarHBondContact O-N 2.71Å; L303-Y305 VanDerWaalsContact C-N 3.33Å; L303-Y305 PolarHBondContact O-N 2.91Å; L303-L307 HydrophobicContact CB-CD1 3.92Å; L303-L307 HydrophobicContact CB-CG 4.33Å; L303-L307 HydrophobicContact CD2-CD1 4.07Å; L303-L307 HydrophobicContact CD2-CG 4.29Å; L303-L307 HydrophobicContact CG-CD1 4.5Å; L303-L307 WeakPolarHBondContact O-CB 3.38Å; L303-L307 WeakPolarHBondContact O-CG 3.37Å; L303-L307 PolarHBondContact O-N 3.08Å |
| 304 | I | 84.5 | Confident | 78.5 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 178.4 | -69.3 | 158.5 | 0 | 0 | 0 | 110.6 | S258 I261 L265 L300 N301 | S258-I304 WeakPolarHBondContact O-CG2 3.34Å; I261-I304 HydrophobicContact CB-CG2 4.27Å; I261-I304 HydrophobicContact CG2-CD1 3.85Å; I261-I304 HydrophobicContact CG2-CG1 4.02Å; I261-I304 HydrophobicContact CG2-CG2 4.24Å; L265-I304 HydrophobicContact CD1-CD1 3.38Å; L300-I304 HydrophobicContact CB-CD1 3.91Å; L300-I304 WeakPolarHBondContact O-CD1 3.45Å; L300-I304 WeakPolarHBondContact O-CG1 3.43Å; L300-I304 PolarHBondContact O-N 3.22Å; N301-I304 PolarHBondContact O-N 3.08Å |
| 305 | Y | 79.8 | Confident | 79 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -81 | -30 | -178.3 | -70 | -67.7 | 0 | 0 | 0 | 113.5 | M74 I78 L81 M133 S262 N301 P302 L303 N309 I312 | M74-Y305 HydrophobicContact CE-CE1 3.96Å; I78-Y305 HydrophobicContact CD1-CD1 3.53Å; I78-Y305 HydrophobicContact CD1-CE1 4.09Å; I78-Y305 HydrophobicContact CD1-CG 4.07Å; I78-Y305 HydrophobicContact CG1-CD1 3.78Å; I78-Y305 HydrophobicContact CG1-CE1 4.01Å; I78-Y305 HydrophobicContact CG1-CG 4.12Å; I78-Y305 HydrophobicContact CG2-CD2 4.37Å; I78-Y305 HydrophobicContact CG2-CG 4.11Å; L81-Y305 HydrophobicContact CD2-CE2 3.64Å; M133-Y305 HydrophobicContact CE-CE1 3.8Å; M133-Y305 VanDerWaalsContact CE-OH 3.31Å; M133-Y305 WeakPolarHBondContact CE-OH 3.1Å; S262-Y305 WeakPolarHBondContact CB-OH 3.48Å; S262-Y305 PolarHBondContact OG-OH 3.09Å; N301-Y305 WeakPolarHBondContact O-CD2 3.05Å; N301-Y305 PolarHBondContact O-N 3.37Å; N301-Y305 VanDerWaalsContact O-N 3.07Å; P302-Y305 PolarHBondContact O-N 3.2Å; L303-Y305 VanDerWaalsContact C-N 3.33Å; L303-Y305 PolarHBondContact O-N 2.91Å; Y305-N309 WeakPolarHBondContact O-CB 3.27Å; Y305-I312 VanDerWaalsContact O-CD1 3.25Å; Y305-I312 WeakPolarHBondContact O-CD1 3.43Å |
| 306 | S | 75.1 | Confident | 79.5 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -93.9 | -44.2 | -176.8 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | P302 R308 N309 | P302-S306 WeakPolarHBondContact O-CB 3.29Å; P302-S306 PolarHBondContact O-N 3.2Å; P302-S306 PolarHBondContact O-OG 3.17Å; S306-R308 VanDerWaalsContact C-N 3.26Å; S306-R308 PolarHBondContact O-N 2.89Å; S306-N309 PolarHBondContact O-N 3.05Å; S306-N309 VanDerWaalsContact O-N 3.13Å |
| 307 | L | 69.6 | Low | 79.9 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 53% | 0.534 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.8 | -171.2 | -68.4 | 177.9 | 0 | 0 | 0 | 113.6 | L303 K313 | L303-L307 HydrophobicContact CB-CD1 3.92Å; L303-L307 HydrophobicContact CB-CG 4.33Å; L303-L307 HydrophobicContact CD2-CD1 4.07Å; L303-L307 HydrophobicContact CD2-CG 4.29Å; L303-L307 HydrophobicContact CG-CD1 4.5Å; L303-L307 WeakPolarHBondContact O-CB 3.38Å; L303-L307 WeakPolarHBondContact O-CG 3.37Å; L303-L307 PolarHBondContact O-N 3.08Å; L307-K313 WeakPolarHBondContact O-CE 3.41Å; L307-K313 PolarHBondContact O-NZ 3.18Å |
| 308 | R | 67.8 | Low | 80.1 | Confident | 176 Ų | 176 | 61.6 Ų | 61.6 | 66% | 0.664 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -9 | 177.7 | -69.8 | -175.3 | 169.3 | -160 | -1.6 | 113.2 | S306 | S306-R308 VanDerWaalsContact C-N 3.26Å; S306-R308 PolarHBondContact O-N 2.89Å |
| 309 | N | 77.9 | Confident | 80.3 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 16% | 0.16 | 29% | 0.29 | C | S | . | . | trans | -103.1 | 116 | -172.4 | -165 | -40.1 | 0 | 0 | 0 | 111.4 | Y75 Y305 S306 D311 I312 K313 | Y75-N309 WeakPolarHBondContact CE1-ND2 3.43Å; Y75-N309 PolarHBondContact OH-ND2 3.23Å; Y75-N309 PolarHBondContact OH-OD1 2.9Å; Y75-N309 VanDerWaalsContact OH-OD1 3.1Å; Y305-N309 WeakPolarHBondContact O-CB 3.27Å; S306-N309 PolarHBondContact O-N 3.05Å; S306-N309 VanDerWaalsContact O-N 3.13Å; N309-D311 VanDerWaalsContact C-N 3.3Å; N309-D311 PolarHBondContact O-N 2.95Å; N309-D311 WeakPolarHBondContact OD1-CB 3.31Å; N309-D311 PolarHBondContact OD1-N 2.81Å; N309-I312 HydrophobicContact CB-CB 4.26Å; N309-I312 HydrophobicContact CB-CD1 4.01Å; N309-I312 HydrophobicContact CB-CG1 4.31Å; N309-I312 PolarHBondContact OD1-N 3.42Å; N309-K313 WeakPolarHBondContact O-CG 3.34Å; N309-K313 PolarHBondContact O-N 2.9Å | ||
| 310 | K | 80.1 | Confident | 80.3 | Confident | 174 Ų | 174 | 63.8 Ų | 63.8 | 76% | 0.757 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.5 | -35.2 | -179.9 | -67.8 | -175.2 | 178.1 | -176.8 | 0 | 111.9 | K313 E314 | K310-K313 PolarHBondContact O-N 3.08Å; K310-E314 WeakPolarHBondContact O-CB 3.48Å; K310-E314 PolarHBondContact O-N 3.14Å |
| 311 | D | 79.8 | Confident | 80.4 | Confident | 86 Ų | 86 | 67 Ų | 67 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | -176.7 | -50.1 | -23.4 | 0 | 0 | 0 | 110.3 | L70 Y75 N309 E314 A315 | L70-D311 HydrophobicContact CD2-CB 3.87Å; Y75-D311 WeakPolarHBondContact OH-CB 3.26Å; Y75-D311 PolarHBondContact OH-OD2 3.1Å; N309-D311 VanDerWaalsContact C-N 3.3Å; N309-D311 PolarHBondContact O-N 2.95Å; N309-D311 WeakPolarHBondContact OD1-CB 3.31Å; N309-D311 PolarHBondContact OD1-N 2.81Å; D311-E314 PolarHBondContact O-N 3.26Å; D311-A315 WeakPolarHBondContact O-CB 3.07Å; D311-A315 PolarHBondContact O-N 3.3Å |
| 312 | I | 79.4 | Confident | 80.1 | Confident | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 176.6 | -68.5 | 167.2 | 0 | 0 | 0 | 111.1 | L60 L63 L70 Y75 Y305 N309 E314 A315 F316 | L60-I312 HydrophobicContact CD1-CD1 3.91Å; L60-I312 HydrophobicContact CD1-CG1 4.28Å; L60-I312 HydrophobicContact CD1-CG2 4.03Å; L63-I312 HydrophobicContact CD1-CG2 4.44Å; L70-I312 HydrophobicContact CD2-CG1 4.18Å; Y75-I312 HydrophobicContact CD1-CD1 4.21Å; Y75-I312 HydrophobicContact CD1-CG1 4.45Å; Y75-I312 HydrophobicContact CE1-CD1 3.8Å; Y75-I312 HydrophobicContact CE1-CG1 3.94Å; Y305-I312 VanDerWaalsContact O-CD1 3.25Å; Y305-I312 WeakPolarHBondContact O-CD1 3.43Å; N309-I312 HydrophobicContact CB-CB 4.26Å; N309-I312 HydrophobicContact CB-CD1 4.01Å; N309-I312 HydrophobicContact CB-CG1 4.31Å; N309-I312 PolarHBondContact OD1-N 3.42Å; I312-E314 VanDerWaalsContact C-N 3.3Å; I312-E314 PolarHBondContact O-N 3Å; I312-A315 PolarHBondContact O-N 3.36Å; I312-F316 WeakPolarHBondContact O-CB 3.24Å; I312-F316 PolarHBondContact O-N 3.07Å |
| 313 | K | 83.1 | Confident | 79.7 | Confident | 111 Ų | 111 | 78.8 Ų | 78.8 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.3 | -72.1 | 179.5 | -176.7 | -176.1 | 0 | 112.2 | L307 N309 K310 F316 R317 | L307-K313 WeakPolarHBondContact O-CE 3.41Å; L307-K313 PolarHBondContact O-NZ 3.18Å; N309-K313 WeakPolarHBondContact O-CG 3.34Å; N309-K313 PolarHBondContact O-N 2.9Å; K310-K313 PolarHBondContact O-N 3.08Å; K313-F316 PolarHBondContact O-N 3.16Å; K313-R317 WeakPolarHBondContact O-CB 3.47Å; K313-R317 PolarHBondContact O-N 3.42Å |
| 314 | E | 85.1 | Confident | 78.5 | Confident | 61 Ų | 61 | 84.6 Ų | 84.6 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 178.4 | -175.8 | 55.6 | -148.6 | 0 | 0 | 111.5 | K310 D311 I312 F316 R317 K318 | K310-E314 WeakPolarHBondContact O-CB 3.48Å; K310-E314 PolarHBondContact O-N 3.14Å; D311-E314 PolarHBondContact O-N 3.26Å; I312-E314 VanDerWaalsContact C-N 3.3Å; I312-E314 PolarHBondContact O-N 3Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 2.88Å; E314-R317 WeakPolarHBondContact O-CB 3.32Å; E314-R317 PolarHBondContact O-N 3.2Å; E314-R317 IonicContact OE1-CZ 3.07Å; E314-R317 IonicContact OE1-NE 3.07Å; E314-R317 PolarHBondContact OE1-NE 3.46Å; E314-R317 IonicContact OE1-NH2 2.69Å; E314-R317 PolarHBondContact OE1-NH2 3.09Å; E314-R317 IonicContact OE2-CZ 3.37Å; E314-R317 IonicContact OE2-NE 3.28Å; E314-R317 PolarHBondContact OE2-NE 3.29Å; E314-R317 IonicContact OE2-NH2 2.86Å; E314-R317 PolarHBondContact OE2-NH2 3.24Å; E314-K318 WeakPolarHBondContact O-CG 3.44Å; E314-K318 PolarHBondContact O-N 3.18Å; E314-K318 WeakPolarHBondContact OE1-CE 3.22Å |
| 315 | A | 81.8 | Confident | 76.8 | Confident | 2 Ų | 2 | 88.2 Ų | 88.2 | 2% | 0.017 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L63 D67 L70 D311 I312 K318 A319 | L63-A315 HydrophobicContact CD2-CB 4.4Å; D67-A315 HydrophobicContact CB-CB 4.03Å; D67-A315 WeakPolarHBondContact OD2-CA 3.39Å; D67-A315 VanDerWaalsContact OD2-CB 3.29Å; D67-A315 WeakPolarHBondContact OD2-CB 3.37Å; L70-A315 HydrophobicContact CD1-CB 3.67Å; L70-A315 HydrophobicContact CG-CB 4.28Å; D311-A315 WeakPolarHBondContact O-CB 3.07Å; D311-A315 PolarHBondContact O-N 3.3Å; I312-A315 PolarHBondContact O-N 3.36Å; A315-K318 PolarHBondContact O-N 3Å; A315-A319 WeakPolarHBondContact O-CB 3.47Å; A315-A319 PolarHBondContact O-N 2.83Å |
| 316 | F | 84.8 | Confident | 75.4 | Confident | 108 Ų | 108 | 98 Ų | 98 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.2 | -174.8 | -96.9 | 0 | 0 | 0 | 112.4 | T59 L63 I312 K313 E314 A319 T320 | T59-F316 HydrophobicContact CG2-CD2 4.21Å; T59-F316 HydrophobicContact CG2-CE2 4.15Å; L63-F316 HydrophobicContact CD1-CB 4.04Å; L63-F316 HydrophobicContact CD1-CD2 4.1Å; I312-F316 WeakPolarHBondContact O-CB 3.24Å; I312-F316 PolarHBondContact O-N 3.07Å; K313-F316 PolarHBondContact O-N 3.16Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 2.88Å; F316-A319 PolarHBondContact O-N 2Å; F316-T320 HydrophobicContact CD1-CG2 4.24Å; F316-T320 HydrophobicContact CE1-CG2 3.85Å; F316-T320 HydrophobicContact CE2-CG2 4.37Å; F316-T320 HydrophobicContact CZ-CG2 3.93Å; F316-T320 WeakPolarHBondContact O-CG2 3.48Å; F316-T320 PolarHBondContact O-N 3.39Å; F316-T320 PolarHBondContact O-OG1 3.15Å |
| 317 | R | 85.3 | Confident | 73.8 | Confident | 130 Ų | 130 | 105.9 Ų | 105.9 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.1 | -176.5 | 178.8 | 72.6 | 159.2 | 5.5 | 111.7 | K313 E314 T320 Q321 | K313-R317 WeakPolarHBondContact O-CB 3.47Å; K313-R317 PolarHBondContact O-N 3.42Å; E314-R317 WeakPolarHBondContact O-CB 3.32Å; E314-R317 PolarHBondContact O-N 3.2Å; E314-R317 IonicContact OE1-CZ 3.07Å; E314-R317 IonicContact OE1-NE 3.07Å; E314-R317 PolarHBondContact OE1-NE 3.46Å; E314-R317 IonicContact OE1-NH2 2.69Å; E314-R317 PolarHBondContact OE1-NH2 3.09Å; E314-R317 IonicContact OE2-CZ 3.37Å; E314-R317 IonicContact OE2-NE 3.28Å; E314-R317 PolarHBondContact OE2-NE 3.29Å; E314-R317 IonicContact OE2-NH2 2.86Å; E314-R317 PolarHBondContact OE2-NH2 3.24Å; R317-T320 WeakPolarHBondContact CA-OG1 2.84Å; R317-T320 PolarHBondContact O-OG1 3.45Å; R317-Q321 VanDerWaalsContact O-CG 3.25Å; R317-Q321 WeakPolarHBondContact O-CG 3.44Å; R317-Q321 PolarHBondContact O-N 3.11Å |
| 318 | K | 84.8 | Confident | 74 | Confident | 76 Ų | 76 | 106.1 Ų | 106.1 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 176.5 | -71.1 | 175.6 | -178.4 | 174.3 | 0 | 111.5 | E314 A315 T320 Q321 T322 | E314-K318 WeakPolarHBondContact O-CG 3.44Å; E314-K318 PolarHBondContact O-N 3.18Å; E314-K318 WeakPolarHBondContact OE1-CE 3.22Å; A315-K318 PolarHBondContact O-N 3Å; K318-T320 VanDerWaalsContact C-N 3.34Å; K318-T320 PolarHBondContact O-N 2.83Å; K318-Q321 WeakPolarHBondContact O-CB 2.86Å; K318-Q321 PolarHBondContact O-N 2.88Å; K318-T322 PolarHBondContact O-N 2.85Å; K318-T322 PolarHBondContact O-OG1 2.95Å; K318-T322 VanDerWaalsContact O-OG1 3.06Å |
| 319 | A | 82.6 | Confident | 74.3 | Confident | 17 Ų | 17 | 102.4 Ų | 102.4 | 14% | 0.14 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L63 I66 A315 F316 Q321 T322 I323 | L63-A319 HydrophobicContact CD2-CB 3.78Å; I66-A319 HydrophobicContact CD1-CB 4.3Å; A315-A319 WeakPolarHBondContact O-CB 3.47Å; A315-A319 PolarHBondContact O-N 2.83Å; F316-A319 PolarHBondContact O-N 2Å; A319-Q321 PolarHBondContact O-N 2.84Å; A319-T322 PolarHBondContact O-N 3.05Å; A319-I323 WeakPolarHBondContact O-CD1 3.11Å; A319-I323 VanDerWaalsContact O-CG1 3.25Å; A319-I323 WeakPolarHBondContact O-CG1 3.2Å; A319-I323 PolarHBondContact O-N 3.03Å; A319-I323 VanDerWaalsContact O-N 3.08Å |
| 320 | T | 83.6 | Confident | 74.1 | Confident | 63 Ų | 63 | 106.4 Ų | 106.4 | 39% | 0.387 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.4 | -33 | 177.2 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | F316 R317 K318 R324 | F316-T320 HydrophobicContact CD1-CG2 4.24Å; F316-T320 HydrophobicContact CE1-CG2 3.85Å; F316-T320 HydrophobicContact CE2-CG2 4.37Å; F316-T320 HydrophobicContact CZ-CG2 3.93Å; F316-T320 WeakPolarHBondContact O-CG2 3.48Å; F316-T320 PolarHBondContact O-N 3.39Å; F316-T320 PolarHBondContact O-OG1 3.15Å; R317-T320 WeakPolarHBondContact CA-OG1 2.84Å; R317-T320 PolarHBondContact O-OG1 3.45Å; K318-T320 VanDerWaalsContact C-N 3.34Å; K318-T320 PolarHBondContact O-N 2.83Å; T320-R324 PolarHBondContact O-N 3.23Å; T320-R324 VanDerWaalsContact O-N 3.12Å |
| 321 | Q | 83.1 | Confident | 73.8 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68 | -37.9 | 172.9 | -73.9 | 171.2 | -9.6 | 0 | 0 | 112.6 | R317 K318 A319 I323 | R317-Q321 VanDerWaalsContact O-CG 3.25Å; R317-Q321 WeakPolarHBondContact O-CG 3.44Å; R317-Q321 PolarHBondContact O-N 3.11Å; K318-Q321 WeakPolarHBondContact O-CB 2.86Å; K318-Q321 PolarHBondContact O-N 2.88Å; A319-Q321 PolarHBondContact O-N 2.84Å; Q321-I323 VanDerWaalsContact C-N 3.35Å |
| 322 | T | 75.6 | Confident | 73.4 | Confident | 125 Ų | 125 | 103.4 Ų | 103.4 | 77% | 0.767 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.7 | -30.3 | 176.7 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | K318 A319 | K318-T322 PolarHBondContact O-N 2.85Å; K318-T322 PolarHBondContact O-OG1 2.95Å; K318-T322 VanDerWaalsContact O-OG1 3.06Å; A319-T322 PolarHBondContact O-N 3.05Å |
| 323 | I | 67.9 | Low | 73 | Confident | 136 Ų | 136 | 109.9 Ų | 109.9 | 70% | 0.697 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -81.3 | -25.6 | 178.7 | -66.4 | 164.6 | 0 | 0 | 0 | 111.9 | A319 Q321 P325 | A319-I323 WeakPolarHBondContact O-CD1 3.11Å; A319-I323 VanDerWaalsContact O-CG1 3.25Å; A319-I323 WeakPolarHBondContact O-CG1 3.2Å; A319-I323 PolarHBondContact O-N 3.03Å; A319-I323 VanDerWaalsContact O-N 3.08Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; I323-P325 WeakPolarHBondContact O-CD 3.39Å |
| 324 | R | 56.5 | Low | 72.3 | Confident | 198 Ų | 198 | 109.9 Ų | 109.9 | 75% | 0.747 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -67.3 | 120.4 | 175.8 | -156.3 | 176.8 | -163.9 | 178.3 | 3.7 | 108.2 | T320 Q326 | T320-R324 PolarHBondContact O-N 3.23Å; T320-R324 VanDerWaalsContact O-N 3.12Å; R324-Q326 PolarHBondContact O-N 3.36Å |
| 325 | P | 50.2 | Low | 71.3 | Confident | 98 Ų | 98 | 113.6 Ų | 113.6 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | trans | -56.5 | 133.6 | 173.1 | -12.2 | 24.1 | 0 | 0 | 0 | 107.3 | I323 T327 | I323-P325 WeakPolarHBondContact O-CD 3.39Å; P325-T327 HydrophobicContact CB-CG2 4.43Å; P325-T327 PolarHBondContact O-N 3.29Å | ||
| 326 | Q | 49.4 | Very low | 70.4 | Confident | 208 Ų | 208 | 122.9 Ų | 122.9 | 97% | 0.972 | 62% | 0.617 | S | S | * | * | trans | -64.5 | 89.1 | 164.9 | -68.3 | -173.9 | -4.1 | 0 | 0 | 106.8 | R324 | R324-Q326 PolarHBondContact O-N 3.36Š| ||
| 327 | T | 41 | Very low | 69.1 | Low | 194 Ų | 194 | 124.3 Ų | 124.3 | 100% | 1.19 | 63% | 0.63 | S | S | * | * | trans | -84 | 0 | 166.7 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | P325 | P325-T327 HydrophobicContact CB-CG2 4.43Å; P325-T327 PolarHBondContact O-N 3.29Å |
Retrieved 327 of 327 residues in 829.1 ms
(Link to these results)