| 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 | 82.6 | Confident | 91 | Very high | 110 Ų | 110 | 54.9 Ų | 54.9 | 54% | 0.542 | 30% | 0.304 | S | S | . | . | 0 | 128.2 | 0 | -175.4 | 177.7 | -76.2 | 0 | 0 | 106.6 | Q156 C159 I162 | M1-Q156 VanDerWaalsContact CG-OE1 3.31Å; M1-C159 HydrophobicContact CE-CB 4.32Å; M1-C159 HydrophobicContact SD-CB 3.62Å; M1-I162 HydrophobicContact CB-CD1 4.23Å; M1-I162 HydrophobicContact CE-CD1 4.16Å; M1-I162 HydrophobicContact SD-CB 4.32Å; M1-I162 HydrophobicContact SD-CD1 3.62Å; M1-I162 HydrophobicContact SD-CG2 4.39Å | |||
| 2 | I | 92.2 | Very high | 90.6 | Very high | 112 Ų | 112 | 67 Ų | 67 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | trans | -96.5 | 130.2 | 175.9 | -65 | 170.3 | 0 | 0 | 0 | 107 | L154 Q156 | I2-L154 HydrophobicContact CG2-CD1 4.02Å; I2-Q156 PolarHBondContact O-NE2 2.91Å | ||
| 3 | T | 96.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | trans | -113.4 | 176.1 | 170.5 | 81.1 | 0 | 0 | 0 | 0 | 109.5 | F5 S6 L152 I162 V163 E166 | T3-F5 PolarHBondContact O-N 2.66Å; T3-F5 VanDerWaalsContact O-N 3.12Å; T3-F5 PolarHBondContact OG1-N 2.91Å; T3-S6 PolarHBondContact N-OG 3.02Å; T3-S6 PolarHBondContact O-N 3.49Å; T3-S6 VanDerWaalsContact O-N 3.16Å; T3-S6 PolarHBondContact O-OG 2.77Å; T3-L152 WeakPolarHBondContact CB-O 3.08Å; T3-I162 HydrophobicContact CG2-CG2 3.8Å; T3-V163 HydrophobicContact CG2-CG2 4.14Å; T3-E166 WeakPolarHBondContact CB-OE2 3.28Å; T3-E166 VanDerWaalsContact CG2-OE2 3.26Å; T3-E166 WeakPolarHBondContact CG2-OE2 3.44Å; T3-E166 PolarHBondContact OG1-OE2 2.94Å | ||
| 4 | F | 96.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -30.8 | 170.2 | 179.8 | -98.6 | 0 | 0 | 0 | 113 | M28 D31 F32 L35 L152 L154 | F4-M28 HydrophobicContact CD1-CE 4.05Å; F4-M28 HydrophobicContact CE1-CE 3.63Å; F4-M28 HydrophobicContact CE1-CG 4.02Å; F4-M28 HydrophobicContact CZ-CE 4.22Å; F4-M28 HydrophobicContact CZ-CG 3.72Å; F4-M28 WeakPolarHBondContact CZ-O 3.47Å; F4-D31 HydrophobicContact CE2-CB 4.03Å; F4-F32 HydrophobicContact CD1-CD2 4.38Å; F4-F32 HydrophobicContact CE1-CB 3.78Å; F4-F32 AromaticContact CE1-CD2 3.97Å; F4-F32 HydrophobicContact CE1-CD2 3.97Å; F4-F32 HydrophobicContact CE1-CG 4.38Å; F4-F32 HydrophobicContact CE2-CB 4.3Å; F4-F32 VanDerWaalsContact CZ-CA 3.47Å; F4-F32 HydrophobicContact CZ-CB 3.49Å; F4-F32 VanDerWaalsContact CZ-CB 3.49Å; F4-F32 HydrophobicContact CZ-CD2 4.46Å; F4-F32 HydrophobicContact CZ-CG 4.5Å; F4-L35 HydrophobicContact CB-CD1 4.41Å; F4-L35 HydrophobicContact CD2-CD1 3.78Å; F4-L35 HydrophobicContact CD2-CD2 4.34Å; F4-L35 HydrophobicContact CD2-CG 4.28Å; F4-L35 HydrophobicContact CE2-CD1 4.26Å; F4-L35 HydrophobicContact CG-CD1 4.02Å; F4-L152 HydrophobicContact CB-CD2 4.1Å; F4-L152 WeakPolarHBondContact CB-O 3.33Å; F4-L152 HydrophobicContact CD1-CD2 4.05Å; F4-L152 HydrophobicContact CG-CD2 4.18Å; F4-L152 PolarHBondContact N-O 3.32Å; F4-L154 HydrophobicContact CB-CD2 4.44Å |
| 5 | F | 96.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.018 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 3.2 | -175.6 | -55.4 | -69 | 0 | 0 | 0 | 114.1 | T3 C7 I8 M28 L99 L152 V163 E166 A167 F170 | T3-F5 PolarHBondContact O-N 2.66Å; T3-F5 VanDerWaalsContact O-N 3.12Å; T3-F5 PolarHBondContact OG1-N 2.91Å; F5-C7 VanDerWaalsContact C-N 3.27Å; F5-C7 PolarHBondContact O-N 3.43Å; F5-I8 WeakPolarHBondContact O-CG1 3.39Å; F5-M28 HydrophobicContact CD1-CE 4.02Å; F5-L99 HydrophobicContact CE1-CD1 3.69Å; F5-L99 HydrophobicContact CE1-CD2 4.21Å; F5-L99 HydrophobicContact CZ-CD1 4.07Å; F5-L99 HydrophobicContact CZ-CD2 3.7Å; F5-L152 HydrophobicContact CE2-CB 4.39Å; F5-L152 HydrophobicContact CE2-CD1 4.1Å; F5-L152 HydrophobicContact CE2-CD2 3.96Å; F5-L152 HydrophobicContact CE2-CG 4.4Å; F5-L152 HydrophobicContact CZ-CD1 4.19Å; F5-L152 HydrophobicContact CZ-CD2 3.76Å; F5-V163 HydrophobicContact CE2-CG1 4.42Å; F5-E166 HydrophobicContact CB-CB 3.85Å; F5-E166 HydrophobicContact CD2-CB 4.21Å; F5-E166 HydrophobicContact CG-CB 4.41Å; F5-A167 HydrophobicContact CD2-CB 4.27Å; F5-A167 HydrophobicContact CE2-CB 3.72Å; F5-A167 HydrophobicContact CZ-CB 3.9Å; F5-F170 HydrophobicContact CD1-CB 3.82Å; F5-F170 HydrophobicContact CD1-CD1 4.2Å; F5-F170 HydrophobicContact CD1-CD2 4.27Å; F5-F170 AromaticContact CD1-CG 3.84Å; F5-F170 HydrophobicContact CD1-CG 3.84Å; F5-F170 HydrophobicContact CE1-CB 4.45Å; F5-F170 HydrophobicContact CE1-CD1 4.21Å; F5-F170 HydrophobicContact CE1-CG 4.31Å; F5-F170 HydrophobicContact CG-CB 4.39Å |
| 6 | S | 91.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 74.4 Ų | 74.4 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -72.6 | -14 | -174.2 | -60.3 | 0 | 0 | 0 | 0 | 115 | T3 E166 | T3-S6 PolarHBondContact N-OG 3.02Å; T3-S6 PolarHBondContact O-N 3.49Å; T3-S6 VanDerWaalsContact O-N 3.16Å; T3-S6 PolarHBondContact O-OG 2.77Å; S6-E166 PolarHBondContact OG-OE2 3.21Å |
| 7 | C | 88.7 | Confident | 90.9 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 73% | 0.73 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -125.2 | 65.5 | -177.4 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | F5 P9 | F5-C7 VanDerWaalsContact C-N 3.27Å; F5-C7 PolarHBondContact O-N 3.43Å; C7-P9 WeakPolarHBondContact O-CD 3.43Å |
| 8 | I | 89.2 | Confident | 91.2 | Very high | 37 Ų | 37 | 68 Ų | 68 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | trans | -75.1 | 126.3 | 179.9 | -47.2 | 178.5 | 0 | 0 | 0 | 109.7 | F5 F170 T173 I174 | F5-I8 WeakPolarHBondContact O-CG1 3.39Å; I8-F170 HydrophobicContact CB-CD2 4.41Å; I8-F170 HydrophobicContact CD1-CB 3.98Å; I8-F170 HydrophobicContact CD1-CD2 3.92Å; I8-F170 HydrophobicContact CD1-CG 4.46Å; I8-F170 HydrophobicContact CG1-CD2 3.88Å; I8-F170 HydrophobicContact CG2-CD2 3.8Å; I8-F170 HydrophobicContact CG2-CE2 4.05Å; I8-T173 HydrophobicContact CG2-CG2 3.97Å; I8-I174 HydrophobicContact CG2-CD1 3.7Å; I8-I174 HydrophobicContact CG2-CG1 4.17Å | ||
| 9 | P | 90.4 | Very high | 91.5 | Very high | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.104 | 33% | 0.329 | C | S | . | . | trans | -63.4 | 137.9 | 172.1 | -22.7 | 35.5 | 0 | 0 | 0 | 111.5 | C7 T21 Q24 L25 | C7-P9 WeakPolarHBondContact O-CD 3.43Å; P9-T21 HydrophobicContact CB-CG2 3.7Å; P9-Q24 HydrophobicContact CB-CB 4.15Å; P9-Q24 HydrophobicContact CG-CB 3.93Å; P9-L25 HydrophobicContact CG-CB 4.32Å | ||
| 10 | I | 88.3 | Confident | 91.7 | Very high | 127 Ų | 127 | 68.3 Ų | 68.3 | 65% | 0.651 | 34% | 0.344 | S | S | * | . | trans | -114.9 | 122 | -178.1 | -60.4 | 171 | 0 | 0 | 0 | 108.8 | ||||
| 11 | F | 88.5 | Confident | 92 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -75 | 127.7 | 176.9 | -70.1 | -90.3 | 0 | 0 | 0 | 110.1 | L17 T21 F22 L25 H177 | F11-L17 HydrophobicContact CB-CD2 4.3Å; F11-L17 HydrophobicContact CD1-CB 4.11Å; F11-L17 HydrophobicContact CD1-CD2 3.77Å; F11-L17 HydrophobicContact CD1-CG 4.49Å; F11-L17 HydrophobicContact CE1-CB 4.13Å; F11-L17 HydrophobicContact CE1-CD2 4.22Å; F11-L17 HydrophobicContact CG-CD2 3.99Å; F11-T21 HydrophobicContact CB-CG2 4.49Å; F11-T21 HydrophobicContact CD1-CG2 3.75Å; F11-T21 HydrophobicContact CD2-CG2 3.9Å; F11-T21 HydrophobicContact CE1-CG2 3.85Å; F11-T21 HydrophobicContact CE2-CG2 3.99Å; F11-T21 HydrophobicContact CG-CG2 3.79Å; F11-T21 HydrophobicContact CZ-CG2 3.97Å; F11-F22 HydrophobicContact CE1-CB 3.85Å; F11-F22 HydrophobicContact CZ-CB 4.03Å; F11-F22 HydrophobicContact CZ-CD2 4.13Å; F11-L25 HydrophobicContact CE2-CD2 4.12Å; F11-L25 HydrophobicContact CZ-CD2 4.25Å; F11-H177 HydrophobicContact CD2-CB 3.88Å; F11-H177 AromaticContact CD2-CD2 3.47Å; F11-H177 VanDerWaalsContact CD2-CD2 3.47Å; F11-H177 WeakPolarHBondContact CD2-CD2 3.06Å; F11-H177 AromaticContact CD2-CG 3.52Å; F11-H177 AromaticContact CD2-NE2 3.93Å; F11-H177 HydrophobicContact CE2-CB 3.99Å | ||
| 12 | K | 86.8 | Confident | 92.7 | Very high | 200 Ų | 200 | 60.5 Ų | 60.5 | 87% | 0.87 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -83.7 | -36.8 | 175.9 | -67.6 | -178.2 | -179.5 | 177.6 | 0 | 112.2 | ||
| 13 | D | 87.7 | Confident | 93 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | trans | -104.3 | 99.6 | 172 | -178.3 | -14.7 | 0 | 0 | 0 | 108.1 | K15 N16 L17 | D13-K15 PolarHBondContact O-N 3.07Å; D13-K15 PolarHBondContact OD1-N 3.19Å; D13-N16 PolarHBondContact OD1-N 2.82Å; D13-N16 WeakPolarHBondContact OD2-CB 3.5Å; D13-N16 PolarHBondContact OD2-ND2 3.04Å; D13-L17 WeakPolarHBondContact O-CA 3.18Å; D13-L17 PolarHBondContact O-N 2.98Å; D13-L17 VanDerWaalsContact O-N 3.09Å | ||
| 14 | E | 88 | Confident | 93.1 | Very high | 124 Ų | 124 | 60.9 Ų | 60.9 | 58% | 0.579 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.5 | -178.7 | -57.2 | -173.4 | 160.1 | 0 | 0 | 113.2 | H177 T180 | E14-H177 IonicContact OE1-CE1 3.69Å; E14-T180 VanDerWaalsContact O-CG2 3.22Å; E14-T180 WeakPolarHBondContact O-CG2 3.26Å; E14-T180 PolarHBondContact O-OG1 3.47Å |
| 15 | K | 90.9 | Very high | 93.1 | Very high | 160 Ų | 160 | 59.7 Ų | 59.7 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -53.3 | -176 | -177.2 | -178.1 | 176 | -176 | 0 | 111.5 | D13 T180 | D13-K15 PolarHBondContact O-N 3.07Å; D13-K15 PolarHBondContact OD1-N 3.19Å; K15-T180 VanDerWaalsContact O-CG2 3.31Å; K15-T180 WeakPolarHBondContact O-CG2 3.17Å |
| 16 | N | 94.2 | Very high | 93.2 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -14.1 | -178.2 | -52.3 | -53.2 | 0 | 0 | 0 | 112.8 | D13 T65 L66 Y67 | D13-N16 PolarHBondContact OD1-N 2.82Å; D13-N16 WeakPolarHBondContact OD2-CB 3.5Å; D13-N16 PolarHBondContact OD2-ND2 3.04Å; N16-T65 HydrophobicContact CB-CG2 3.99Å; N16-L66 PolarHBondContact O-N 3.01Å; N16-Y67 PolarHBondContact O-N 2.85Å |
| 17 | L | 96.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | trans | 56.3 | 112.8 | -177.1 | -57 | 178.9 | 0 | 0 | 0 | 112.8 | F11 D13 T19 T65 L66 H177 T180 L181 M184 | F11-L17 HydrophobicContact CB-CD2 4.3Å; F11-L17 HydrophobicContact CD1-CB 4.11Å; F11-L17 HydrophobicContact CD1-CD2 3.77Å; F11-L17 HydrophobicContact CD1-CG 4.49Å; F11-L17 HydrophobicContact CE1-CB 4.13Å; F11-L17 HydrophobicContact CE1-CD2 4.22Å; F11-L17 HydrophobicContact CG-CD2 3.99Å; D13-L17 WeakPolarHBondContact O-CA 3.18Å; D13-L17 PolarHBondContact O-N 2.98Å; D13-L17 VanDerWaalsContact O-N 3.09Å; L17-T19 PolarHBondContact O-N 2.75Å; L17-T65 WeakPolarHBondContact O-CA 3.45Å; L17-L66 HydrophobicContact CB-CB 4.41Å; L17-L66 HydrophobicContact CB-CD1 3.79Å; L17-L66 HydrophobicContact CB-CG 4.13Å; L17-L66 HydrophobicContact CD1-CD1 4.15Å; L17-L66 PolarHBondContact O-N 3.04Å; L17-H177 WeakPolarHBondContact CD1-O 3.45Å; L17-H177 HydrophobicContact CD2-CB 4.16Å; L17-T180 HydrophobicContact CD1-CG2 4.4Å; L17-T180 HydrophobicContact CG-CG2 4.34Å; L17-L181 HydrophobicContact CD1-CB 3.75Å; L17-M184 HydrophobicContact CB-CE 4.16Å; L17-M184 HydrophobicContact CD1-CE 3.51Å; L17-M184 HydrophobicContact CG-CE 3.72Å | ||
| 18 | D | 95.9 | Very high | 93.9 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 132.2 | 177.5 | 74.2 | 95.3 | 0 | 0 | 0 | 111.1 | Q20 T21 F22 | D18-Q20 VanDerWaalsContact C-N 3.28Å; D18-Q20 PolarHBondContact O-N 3.36Å; D18-T21 VanDerWaalsContact CG-CB 3.48Å; D18-T21 PolarHBondContact O-N 3.08Å; D18-T21 WeakPolarHBondContact OD1-CA 3.48Å; D18-T21 WeakPolarHBondContact OD1-CB 3.33Å; D18-T21 PolarHBondContact OD1-N 2.74Å; D18-T21 PolarHBondContact OD1-OG1 3.26Å; D18-T21 WeakPolarHBondContact OD2-CB 3.37Å; D18-T21 PolarHBondContact OD2-OG1 3.09Å; D18-T21 VanDerWaalsContact OD2-OG1 3.07Å; D18-F22 PolarHBondContact O-N 3.31Å; D18-F22 VanDerWaalsContact O-N 3.13Å |
| 19 | T | 97.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -37 | -172.4 | -58.9 | 0 | 0 | 0 | 0 | 111 | L17 F22 L23 V54 S64 T65 L66 | L17-T19 PolarHBondContact O-N 2.75Å; T19-F22 PolarHBondContact O-N 3.42Å; T19-L23 HydrophobicContact CG2-CD1 3.92Å; T19-L23 HydrophobicContact CG2-CG 4.18Å; T19-L23 WeakPolarHBondContact O-CB 3.28Å; T19-L23 VanDerWaalsContact O-CG 3.24Å; T19-L23 WeakPolarHBondContact O-CG 3.24Å; T19-L23 PolarHBondContact O-N 3.29Å; T19-V54 HydrophobicContact CG2-CG1 4.29Å; T19-S64 WeakPolarHBondContact CB-O 3.47Å; T19-S64 PolarHBondContact N-O 2.99Å; T19-S64 PolarHBondContact OG1-O 3Å; T19-S64 VanDerWaalsContact OG1-O 3.13Å; T19-T65 PolarHBondContact OG1-N 3.18Å; T19-T65 PolarHBondContact OG1-O 3.21Å; T19-L66 HydrophobicContact CG2-CD2 4.14Å; T19-L66 PolarHBondContact OG1-N 3.38Å |
| 20 | Q | 96.4 | Very high | 94.6 | Very high | 135 Ų | 135 | 54.4 Ų | 54.4 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | -178.7 | -176.1 | 177.7 | -23.2 | 0 | 0 | 111.7 | D18 F22 L23 Q24 | D18-Q20 VanDerWaalsContact C-N 3.28Å; D18-Q20 PolarHBondContact O-N 3.36Å; Q20-F22 VanDerWaalsContact C-N 3.34Å; Q20-L23 PolarHBondContact O-N 3.03Å; Q20-Q24 WeakPolarHBondContact O-CG 3.16Å; Q20-Q24 PolarHBondContact O-N 3.22Å |
| 21 | T | 97 | Very high | 95 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 111 | P9 F11 D18 L23 Q24 L25 | P9-T21 HydrophobicContact CB-CG2 3.7Å; F11-T21 HydrophobicContact CB-CG2 4.49Å; F11-T21 HydrophobicContact CD1-CG2 3.75Å; F11-T21 HydrophobicContact CD2-CG2 3.9Å; F11-T21 HydrophobicContact CE1-CG2 3.85Å; F11-T21 HydrophobicContact CE2-CG2 3.99Å; F11-T21 HydrophobicContact CG-CG2 3.79Å; F11-T21 HydrophobicContact CZ-CG2 3.97Å; D18-T21 VanDerWaalsContact CG-CB 3.48Å; D18-T21 PolarHBondContact O-N 3.08Å; D18-T21 WeakPolarHBondContact OD1-CA 3.48Å; D18-T21 WeakPolarHBondContact OD1-CB 3.33Å; D18-T21 PolarHBondContact OD1-N 2.74Å; D18-T21 PolarHBondContact OD1-OG1 3.26Å; D18-T21 WeakPolarHBondContact OD2-CB 3.37Å; D18-T21 PolarHBondContact OD2-OG1 3.09Å; D18-T21 VanDerWaalsContact OD2-OG1 3.07Å; T21-L23 VanDerWaalsContact C-N 3.33Å; T21-L23 PolarHBondContact O-N 3.46Å; T21-Q24 WeakPolarHBondContact O-CB 3.49Å; T21-Q24 PolarHBondContact O-N 3.27Å; T21-L25 PolarHBondContact O-N 3.03Å |
| 22 | F | 98 | Very high | 95.4 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 174.3 | -174.6 | -98.4 | 0 | 0 | 0 | 112.8 | F11 D18 T19 Q20 Q24 L25 S26 L66 L85 L88 I92 L181 | F11-F22 HydrophobicContact CE1-CB 3.85Å; F11-F22 HydrophobicContact CZ-CB 4.03Å; F11-F22 HydrophobicContact CZ-CD2 4.13Å; D18-F22 PolarHBondContact O-N 3.31Å; D18-F22 VanDerWaalsContact O-N 3.13Å; T19-F22 PolarHBondContact O-N 3.42Å; Q20-F22 VanDerWaalsContact C-N 3.34Å; F22-Q24 VanDerWaalsContact C-N 3.34Å; F22-L25 PolarHBondContact O-N 3.49Å; F22-S26 WeakPolarHBondContact CE1-OG 3.29Å; F22-S26 WeakPolarHBondContact O-CB 3.32Å; F22-S26 PolarHBondContact O-N 3.18Å; F22-S26 PolarHBondContact O-OG 3.16Å; F22-L66 HydrophobicContact CB-CD1 3.82Å; F22-L66 HydrophobicContact CB-CD2 4.16Å; F22-L66 HydrophobicContact CB-CG 4.3Å; F22-L66 HydrophobicContact CD1-CD1 4.16Å; F22-L66 HydrophobicContact CD1-CD2 4.11Å; F22-L66 HydrophobicContact CD2-CD1 3.81Å; F22-L66 HydrophobicContact CE2-CD1 4.47Å; F22-L66 HydrophobicContact CG-CD1 3.64Å; F22-L66 HydrophobicContact CG-CD2 4.22Å; F22-L66 HydrophobicContact CG-CG 4.46Å; F22-L85 HydrophobicContact CD1-CD1 3.78Å; F22-L85 HydrophobicContact CE1-CD1 3.2Å; F22-L85 HydrophobicContact CE2-CD1 4.29Å; F22-L85 HydrophobicContact CZ-CD1 3.51Å; F22-L88 HydrophobicContact CE1-CB 4.03Å; F22-L88 HydrophobicContact CE1-CD1 3.92Å; F22-L88 HydrophobicContact CZ-CB 3.95Å; F22-I92 HydrophobicContact CE2-CD1 3.68Å; F22-I92 HydrophobicContact CZ-CD1 3.67Å; F22-L181 HydrophobicContact CD2-CD2 4.04Å; F22-L181 HydrophobicContact CE2-CD2 3.3Å; F22-L181 HydrophobicContact CZ-CD2 3.68Å |
| 23 | L | 98.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -35.4 | 175.1 | -70.6 | 174.9 | 0 | 0 | 0 | 111.7 | T19 Q20 T21 S26 K27 I51 V54 | T19-L23 HydrophobicContact CG2-CD1 3.92Å; T19-L23 HydrophobicContact CG2-CG 4.18Å; T19-L23 WeakPolarHBondContact O-CB 3.28Å; T19-L23 VanDerWaalsContact O-CG 3.24Å; T19-L23 WeakPolarHBondContact O-CG 3.24Å; T19-L23 PolarHBondContact O-N 3.29Å; Q20-L23 PolarHBondContact O-N 3.03Å; T21-L23 VanDerWaalsContact C-N 3.33Å; T21-L23 PolarHBondContact O-N 3.46Å; L23-S26 PolarHBondContact O-N 2.84Å; L23-K27 VanDerWaalsContact O-CB 3.31Å; L23-K27 WeakPolarHBondContact O-CB 3.38Å; L23-K27 PolarHBondContact O-N 3.32Å; L23-I51 HydrophobicContact CD2-CG2 4.21Å; L23-V54 HydrophobicContact CD2-CB 4.03Å; L23-V54 HydrophobicContact CD2-CG1 3.88Å |
| 24 | Q | 97.5 | Very high | 96.2 | Very high | 95 Ų | 95 | 41 Ų | 41 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 171.7 | -72.5 | 173.2 | -7.2 | 0 | 0 | 111.8 | P9 Q20 T21 F22 S26 K27 M28 | P9-Q24 HydrophobicContact CB-CB 4.15Å; P9-Q24 HydrophobicContact CG-CB 3.93Å; Q20-Q24 WeakPolarHBondContact O-CG 3.16Å; Q20-Q24 PolarHBondContact O-N 3.22Å; T21-Q24 WeakPolarHBondContact O-CB 3.49Å; T21-Q24 PolarHBondContact O-N 3.27Å; F22-Q24 VanDerWaalsContact C-N 3.34Å; Q24-S26 VanDerWaalsContact C-N 3.34Å; Q24-S26 PolarHBondContact O-N 3.25Å; Q24-K27 PolarHBondContact O-N 3.4Å; Q24-M28 PolarHBondContact O-N 3.02Å |
| 25 | L | 97.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.3 | 175.2 | 62.6 | 0 | 0 | 0 | 111.3 | P9 F11 T21 F22 K27 M28 I29 I92 F170 I174 | P9-L25 HydrophobicContact CG-CB 4.32Å; F11-L25 HydrophobicContact CE2-CD2 4.12Å; F11-L25 HydrophobicContact CZ-CD2 4.25Å; T21-L25 PolarHBondContact O-N 3.03Å; F22-L25 PolarHBondContact O-N 3.49Å; L25-K27 VanDerWaalsContact C-N 3.3Å; L25-K27 PolarHBondContact O-N 3.07Å; L25-M28 WeakPolarHBondContact O-CB 3.31Å; L25-M28 PolarHBondContact O-N 2.76Å; L25-M28 VanDerWaalsContact O-N 3.17Å; L25-I29 PolarHBondContact O-N 3.28Å; L25-I92 HydrophobicContact CD2-CD1 4.35Å; L25-I92 HydrophobicContact CG-CD1 4.45Å; L25-F170 HydrophobicContact CD1-CE2 4.02Å; L25-F170 HydrophobicContact CD1-CZ 3.9Å; L25-I174 HydrophobicContact CD1-CD1 3.75Å; L25-I174 HydrophobicContact CD1-CG1 4.05Å; L25-I174 HydrophobicContact CD1-CG2 4.34Å; L25-I174 HydrophobicContact CD2-CD1 4.12Å; L25-I174 HydrophobicContact CD2-CG2 3.81Å |
| 26 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | F22 L23 Q24 M28 I29 C30 | F22-S26 WeakPolarHBondContact CE1-OG 3.29Å; F22-S26 WeakPolarHBondContact O-CB 3.32Å; F22-S26 PolarHBondContact O-N 3.18Å; F22-S26 PolarHBondContact O-OG 3.16Å; L23-S26 PolarHBondContact O-N 2.84Å; Q24-S26 VanDerWaalsContact C-N 3.34Å; Q24-S26 PolarHBondContact O-N 3.25Å; S26-M28 VanDerWaalsContact C-N 3.35Å; S26-I29 WeakPolarHBondContact O-CB 3.34Å; S26-I29 PolarHBondContact O-N 3.42Å; S26-I29 VanDerWaalsContact O-N 3.17Å; S26-C30 PolarHBondContact O-N 3.45Å |
| 27 | K | 97.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 32.5 Ų | 32.5 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65 | -38.7 | 174.5 | -179.5 | 55.7 | 179.2 | 139.8 | 0 | 111.6 | L23 Q24 L25 I29 C30 D31 | L23-K27 VanDerWaalsContact O-CB 3.31Å; L23-K27 WeakPolarHBondContact O-CB 3.38Å; L23-K27 PolarHBondContact O-N 3.32Å; Q24-K27 PolarHBondContact O-N 3.4Å; L25-K27 VanDerWaalsContact C-N 3.3Å; L25-K27 PolarHBondContact O-N 3.07Å; K27-I29 VanDerWaalsContact C-N 3.31Å; K27-I29 PolarHBondContact O-N 3.24Å; K27-C30 HydrophobicContact CD-CB 4.34Å; K27-C30 WeakPolarHBondContact O-CA 3.49Å; K27-C30 VanDerWaalsContact O-CB 3.29Å; K27-C30 WeakPolarHBondContact O-CB 3.39Å; K27-C30 PolarHBondContact O-N 3.39Å; K27-C30 VanDerWaalsContact O-N 3.09Å; K27-D31 WeakPolarHBondContact CE-OD1 3.49Å; K27-D31 IonicContact NZ-OD1 2.81Å; K27-D31 PolarHBondContact NZ-OD1 3.14Å; K27-D31 VanDerWaalsContact O-CG 3.32Å; K27-D31 PolarHBondContact O-N 3.31Å |
| 28 | M | 97.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 37 Ų | 37 | 9% | 0.089 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 170.5 | -174.5 | 179.5 | 174.3 | 0 | 0 | 111 | F4 F5 Q24 L25 S26 C30 D31 F32 F170 | F4-M28 HydrophobicContact CD1-CE 4.05Å; F4-M28 HydrophobicContact CE1-CE 3.63Å; F4-M28 HydrophobicContact CE1-CG 4.02Å; F4-M28 HydrophobicContact CZ-CE 4.22Å; F4-M28 HydrophobicContact CZ-CG 3.72Å; F4-M28 WeakPolarHBondContact CZ-O 3.47Å; F5-M28 HydrophobicContact CD1-CE 4.02Å; Q24-M28 PolarHBondContact O-N 3.02Å; L25-M28 WeakPolarHBondContact O-CB 3.31Å; L25-M28 PolarHBondContact O-N 2.76Å; L25-M28 VanDerWaalsContact O-N 3.17Å; S26-M28 VanDerWaalsContact C-N 3.35Å; M28-C30 VanDerWaalsContact C-N 3.31Å; M28-C30 PolarHBondContact O-N 3.26Å; M28-D31 CarbonylContact O-C 3.6Å; M28-D31 PolarHBondContact O-N 3.37Å; M28-D31 VanDerWaalsContact O-N 3.08Å; M28-F32 PolarHBondContact O-N 3.26Å; M28-F170 HydrophobicContact CE-CD2 3.8Å; M28-F170 HydrophobicContact CE-CE2 3.5Å; M28-F170 HydrophobicContact CE-CZ 4.15Å; M28-F170 HydrophobicContact SD-CD2 4.34Å; M28-F170 HydrophobicContact SD-CE2 3.57Å; M28-F170 VanDerWaalsContact SD-CE2 3.57Å; M28-F170 HydrophobicContact SD-CZ 4.21Å |
| 29 | I | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 173.7 | -59 | -47.8 | 0 | 0 | 0 | 112.6 | L25 S26 K27 D31 F32 F33 V47 T91 I92 V95 F170 | L25-I29 PolarHBondContact O-N 3.28Å; S26-I29 WeakPolarHBondContact O-CB 3.34Å; S26-I29 PolarHBondContact O-N 3.42Å; S26-I29 VanDerWaalsContact O-N 3.17Å; K27-I29 VanDerWaalsContact C-N 3.31Å; K27-I29 PolarHBondContact O-N 3.24Å; I29-D31 VanDerWaalsContact C-N 3.31Å; I29-D31 PolarHBondContact O-N 2.85Å; I29-F32 WeakPolarHBondContact O-CB 3.36Å; I29-F32 PolarHBondContact O-N 3.11Å; I29-F33 HydrophobicContact CG2-CD2 4.19Å; I29-F33 HydrophobicContact CG2-CE2 3.72Å; I29-F33 HydrophobicContact CG2-CZ 4.2Å; I29-F33 WeakPolarHBondContact O-CD2 3.34Å; I29-F33 PolarHBondContact O-N 2.81Å; I29-F33 VanDerWaalsContact O-N 3.14Å; I29-V47 HydrophobicContact CG2-CG2 4.31Å; I29-T91 HydrophobicContact CG2-CG2 4.2Å; I29-I92 HydrophobicContact CD1-CG1 4.45Å; I29-I92 HydrophobicContact CG1-CG1 3.66Å; I29-V95 HydrophobicContact CD1-CB 4.31Å; I29-V95 HydrophobicContact CD1-CG1 4.03Å; I29-V95 HydrophobicContact CG2-CG2 4.17Å; I29-F170 HydrophobicContact CD1-CZ 4.42Å |
| 30 | C | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 172.8 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | S26 K27 M28 F33 G34 R44 V47 E48 I51 | S26-C30 PolarHBondContact O-N 3.45Å; K27-C30 HydrophobicContact CD-CB 4.34Å; K27-C30 WeakPolarHBondContact O-CA 3.49Å; K27-C30 VanDerWaalsContact O-CB 3.29Å; K27-C30 WeakPolarHBondContact O-CB 3.39Å; K27-C30 PolarHBondContact O-N 3.39Å; K27-C30 VanDerWaalsContact O-N 3.09Å; M28-C30 VanDerWaalsContact C-N 3.31Å; M28-C30 PolarHBondContact O-N 3.26Å; C30-F33 PolarHBondContact O-N 2.93Å; C30-G34 PolarHBondContact O-N 3.17Å; C30-R44 VanDerWaalsContact SG-CG 3.54Å; C30-V47 HydrophobicContact CB-CG1 3.97Å; C30-E48 WeakPolarHBondContact SG-CG 3.48Å; C30-E48 PolarHBondContact SG-OE1 3.02Å; C30-I51 HydrophobicContact CB-CD1 4.38Å |
| 31 | D | 96.2 | Very high | 95.6 | Very high | 68 Ų | 68 | 36.1 Ų | 36.1 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -71.1 | -34.5 | 178.1 | -61.9 | -21.3 | 0 | 0 | 0 | 111.9 | F4 K27 M28 I29 F33 G34 L35 | F4-D31 HydrophobicContact CE2-CB 4.03Å; K27-D31 WeakPolarHBondContact CE-OD1 3.49Å; K27-D31 IonicContact NZ-OD1 2.81Å; K27-D31 PolarHBondContact NZ-OD1 3.14Å; K27-D31 VanDerWaalsContact O-CG 3.32Å; K27-D31 PolarHBondContact O-N 3.31Å; M28-D31 CarbonylContact O-C 3.6Å; M28-D31 PolarHBondContact O-N 3.37Å; M28-D31 VanDerWaalsContact O-N 3.08Å; I29-D31 VanDerWaalsContact C-N 3.31Å; I29-D31 PolarHBondContact O-N 2.85Å; D31-F33 VanDerWaalsContact C-N 3.33Å; D31-F33 PolarHBondContact O-N 3.05Å; D31-G34 CarbonylContact O-C 3.57Å; D31-G34 WeakPolarHBondContact O-CA 3.47Å; D31-G34 PolarHBondContact O-N 3.22Å; D31-L35 PolarHBondContact O-N 3.37Å; D31-L35 VanDerWaalsContact O-N 3.1Å |
| 32 | F | 97.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 171.2 | 173 | -92.8 | 0 | 0 | 0 | 111.4 | F4 M28 I29 G34 L35 W36 V95 F98 L99 F148 L152 | F4-F32 HydrophobicContact CD1-CD2 4.38Å; F4-F32 HydrophobicContact CE1-CB 3.78Å; F4-F32 AromaticContact CE1-CD2 3.97Å; F4-F32 HydrophobicContact CE1-CD2 3.97Å; F4-F32 HydrophobicContact CE1-CG 4.38Å; F4-F32 HydrophobicContact CE2-CB 4.3Å; F4-F32 VanDerWaalsContact CZ-CA 3.47Å; F4-F32 HydrophobicContact CZ-CB 3.49Å; F4-F32 VanDerWaalsContact CZ-CB 3.49Å; F4-F32 HydrophobicContact CZ-CD2 4.46Å; F4-F32 HydrophobicContact CZ-CG 4.5Å; M28-F32 PolarHBondContact O-N 3.26Å; I29-F32 WeakPolarHBondContact O-CB 3.36Å; I29-F32 PolarHBondContact O-N 3.11Å; F32-G34 VanDerWaalsContact C-N 3.3Å; F32-L35 PolarHBondContact O-N 2.95Å; F32-W36 PolarHBondContact O-NE1 3.25Å; F32-W36 VanDerWaalsContact O-NE1 3.12Å; F32-V95 HydrophobicContact CD1-CG1 4.36Å; F32-V95 HydrophobicContact CD1-CG2 4.49Å; F32-V95 HydrophobicContact CE1-CG1 4.28Å; F32-V95 HydrophobicContact CE1-CG2 4.44Å; F32-V95 HydrophobicContact CZ-CG1 4.43Å; F32-F98 HydrophobicContact CE2-CE1 4.44Å; F32-F98 HydrophobicContact CZ-CD1 4.1Å; F32-F98 AromaticContact CZ-CE1 3.83Å; F32-F98 HydrophobicContact CZ-CE1 3.83Å; F32-L99 HydrophobicContact CE2-CD2 4.23Å; F32-F148 HydrophobicContact CE2-CZ 4.34Å; F32-F148 HydrophobicContact CZ-CE1 4.42Å; F32-F148 AromaticContact CZ-CZ 3.87Å; F32-F148 HydrophobicContact CZ-CZ 3.87Å; F32-L152 HydrophobicContact CD2-CD2 3.98Å; F32-L152 HydrophobicContact CE2-CD2 3.89Å |
| 33 | F | 96.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.6 | -29.9 | 173.8 | -64.3 | -39 | 0 | 0 | 0 | 112.2 | I29 C30 D31 L35 W36 F40 L43 R44 V47 T91 V95 | I29-F33 HydrophobicContact CG2-CD2 4.19Å; I29-F33 HydrophobicContact CG2-CE2 3.72Å; I29-F33 HydrophobicContact CG2-CZ 4.2Å; I29-F33 WeakPolarHBondContact O-CD2 3.34Å; I29-F33 PolarHBondContact O-N 2.81Å; I29-F33 VanDerWaalsContact O-N 3.14Å; C30-F33 PolarHBondContact O-N 2.93Å; D31-F33 VanDerWaalsContact C-N 3.33Å; D31-F33 PolarHBondContact O-N 3.05Å; F33-L35 VanDerWaalsContact C-N 3.29Å; F33-L35 PolarHBondContact O-N 3.44Å; F33-W36 PolarHBondContact O-N 3.27Å; F33-F40 HydrophobicContact CB-CB 4.25Å; F33-F40 AromaticContact CD1-CD2 3.97Å; F33-F40 HydrophobicContact CD1-CD2 3.97Å; F33-F40 WeakPolarHBondContact O-CB 3.26Å; F33-L43 HydrophobicContact CD1-CB 4.27Å; F33-L43 HydrophobicContact CD2-CB 3.87Å; F33-L43 HydrophobicContact CE1-CB 4.37Å; F33-L43 HydrophobicContact CE1-CD2 4.16Å; F33-L43 HydrophobicContact CE2-CB 3.97Å; F33-L43 HydrophobicContact CG-CB 4.03Å; F33-L43 HydrophobicContact CZ-CB 4.24Å; F33-L43 HydrophobicContact CZ-CD2 4.19Å; F33-R44 HydrophobicContact CB-CB 3.99Å; F33-V47 HydrophobicContact CD2-CG2 4.06Å; F33-V47 HydrophobicContact CE2-CG2 3.71Å; F33-T91 HydrophobicContact CE2-CG2 3.86Å; F33-T91 HydrophobicContact CZ-CG2 4.04Å; F33-V95 HydrophobicContact CE1-CG2 4.14Å; F33-V95 HydrophobicContact CZ-CG2 3.82Å |
| 34 | G | 95.1 | Very high | 95 | Very high | 27 Ų | 27 | 46 Ų | 46 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -24.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C30 D31 F32 W36 D37 | C30-G34 PolarHBondContact O-N 3.17Å; D31-G34 CarbonylContact O-C 3.57Å; D31-G34 WeakPolarHBondContact O-CA 3.47Å; D31-G34 PolarHBondContact O-N 3.22Å; F32-G34 VanDerWaalsContact C-N 3.3Å; G34-W36 PolarHBondContact O-N 2.99Å; G34-D37 PolarHBondContact O-N 3.35Å |
| 35 | L | 96.2 | Very high | 95 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.5 | 178 | -68.7 | 175.8 | 0 | 0 | 0 | 114.1 | F4 D31 F32 F33 K151 L152 L154 | F4-L35 HydrophobicContact CB-CD1 4.41Å; F4-L35 HydrophobicContact CD2-CD1 3.78Å; F4-L35 HydrophobicContact CD2-CD2 4.34Å; F4-L35 HydrophobicContact CD2-CG 4.28Å; F4-L35 HydrophobicContact CE2-CD1 4.26Å; F4-L35 HydrophobicContact CG-CD1 4.02Å; D31-L35 PolarHBondContact O-N 3.37Å; D31-L35 VanDerWaalsContact O-N 3.1Å; F32-L35 PolarHBondContact O-N 2.95Å; F33-L35 VanDerWaalsContact C-N 3.29Å; F33-L35 PolarHBondContact O-N 3.44Å; L35-K151 HydrophobicContact CB-CB 4.37Å; L35-K151 VanDerWaalsContact O-CD 3.24Å; L35-K151 WeakPolarHBondContact O-CD 3.48Å; L35-K151 VanDerWaalsContact O-CE 3.28Å; L35-K151 WeakPolarHBondContact O-CE 3.33Å; L35-L152 HydrophobicContact CD1-CD2 3.76Å; L35-L154 HydrophobicContact CD2-CD2 4.27Å |
| 36 | W | 93.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 19.4 | -173.7 | -42 | 98.3 | 0 | 0 | 0 | 113.4 | F32 F33 G34 K39 F40 P143 F148 K151 | F32-W36 PolarHBondContact O-NE1 3.25Å; F32-W36 VanDerWaalsContact O-NE1 3.12Å; F33-W36 PolarHBondContact O-N 3.27Å; G34-W36 PolarHBondContact O-N 2.99Å; W36-K39 WeakPolarHBondContact O-CB 3.37Å; W36-K39 PolarHBondContact O-N 3.42Å; W36-F40 HydrophobicContact CB-CB 4.16Å; W36-F40 HydrophobicContact CB-CD1 3.73Å; W36-F40 HydrophobicContact CB-CD2 4.02Å; W36-F40 HydrophobicContact CB-CE1 4.07Å; W36-F40 HydrophobicContact CB-CE2 4.32Å; W36-F40 HydrophobicContact CB-CG 3.7Å; W36-F40 HydrophobicContact CB-CZ 4.35Å; W36-F40 AromaticContact CD1-CD2 3.02Å; W36-F40 AromaticContact CD1-CE2 3.18Å; W36-F40 AromaticContact CD1-CG 3.62Å; W36-F40 AromaticContact CD1-CZ 3.91Å; W36-F40 HydrophobicContact CD2-CE2 4.28Å; W36-F40 HydrophobicContact CD2-CZ 4.39Å; W36-F40 HydrophobicContact CG-CD1 4.1Å; W36-F40 AromaticContact CG-CD2 3.64Å; W36-F40 HydrophobicContact CG-CD2 3.64Å; W36-F40 HydrophobicContact CG-CE1 4.13Å; W36-F40 AromaticContact CG-CE2 3.64Å; W36-F40 HydrophobicContact CG-CE2 3.64Å; W36-F40 AromaticContact CG-CG 3.87Å; W36-F40 HydrophobicContact CG-CG 3.87Å; W36-F40 AromaticContact CG-CZ 3.9Å; W36-F40 HydrophobicContact CG-CZ 3.9Å; W36-F40 AromaticContact NE1-CD2 3.73Å; W36-F40 AromaticContact NE1-CE2 3.5Å; W36-P143 HydrophobicContact CD2-CG 4.24Å; W36-P143 HydrophobicContact CE3-CG 3.5Å; W36-P143 VanDerWaalsContact CE3-CG 3.5Å; W36-P143 HydrophobicContact CH2-CG 4.5Å; W36-P143 HydrophobicContact CZ3-CG 3.64Å; W36-F148 AromaticContact CE2-CE2 3.73Å; W36-F148 HydrophobicContact CH2-CB 3.91Å; W36-F148 AromaticContact CH2-CD1 3.87Å; W36-F148 HydrophobicContact CH2-CD1 3.87Å; W36-F148 AromaticContact CH2-CD2 3.37Å; W36-F148 HydrophobicContact CH2-CD2 3.37Å; W36-F148 HydrophobicContact CH2-CE1 4.22Å; W36-F148 AromaticContact CH2-CE2 3.77Å; W36-F148 HydrophobicContact CH2-CE2 3.77Å; W36-F148 AromaticContact CH2-CG 3.43Å; W36-F148 HydrophobicContact CH2-CG 3.43Å; W36-F148 VanDerWaalsContact CH2-CG 3.43Å; W36-F148 HydrophobicContact CH2-CZ 4.18Å; W36-F148 WeakPolarHBondContact CH2-O 3.37Å; W36-F148 AromaticContact CZ2-CD1 3.94Å; W36-F148 HydrophobicContact CZ2-CD1 3.94Å; W36-F148 AromaticContact CZ2-CD2 3.45Å; W36-F148 HydrophobicContact CZ2-CD2 3.45Å; W36-F148 VanDerWaalsContact CZ2-CD2 3.45Å; W36-F148 AromaticContact CZ2-CE1 3.8Å; W36-F148 HydrophobicContact CZ2-CE1 3.8Å; W36-F148 AromaticContact CZ2-CE2 3.3Å; W36-F148 HydrophobicContact CZ2-CE2 3.3Å; W36-F148 AromaticContact CZ2-CG 3.77Å; W36-F148 HydrophobicContact CZ2-CG 3.77Å; W36-F148 AromaticContact CZ2-CZ 3.48Å; W36-F148 HydrophobicContact CZ2-CZ 3.48Å; W36-F148 VanDerWaalsContact CZ2-CZ 3.48Å; W36-F148 HydrophobicContact CZ3-CB 4.35Å; W36-F148 AromaticContact CZ3-CD2 3.94Å; W36-F148 HydrophobicContact CZ3-CD2 3.94Å; W36-F148 HydrophobicContact CZ3-CG 4.19Å; W36-K151 HydrophobicContact CE3-CB 4.19Å; W36-K151 HydrophobicContact CE3-CG 3.88Å; W36-K151 HydrophobicContact CH2-CB 3.39Å; W36-K151 HydrophobicContact CH2-CG 3.96Å; W36-K151 HydrophobicContact CZ2-CB 4.24Å; W36-K151 HydrophobicContact CZ3-CB 3.39Å; W36-K151 HydrophobicContact CZ3-CG 3.36Å |
| 37 | D | 87.9 | Confident | 94.9 | Very high | 116 Ų | 116 | 49.3 Ų | 49.3 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | 53.3 | -136.1 | 178.7 | -52.2 | -51.2 | 0 | 0 | 0 | 111.9 | G34 K39 | G34-D37 PolarHBondContact O-N 3.35Å; D37-K39 PolarHBondContact O-N 3.11Å |
| 38 | S | 89.4 | Confident | 94.9 | Very high | 95 Ų | 95 | 47.5 Ų | 47.5 | 66% | 0.664 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -66.2 | -20.4 | -177 | 60.8 | 0 | 0 | 0 | 0 | 114 | F40 S41 | S38-F40 VanDerWaalsContact C-N 3.27Å; S38-F40 PolarHBondContact O-N 3.12Å; S38-S41 WeakPolarHBondContact O-CB 3.4Å; S38-S41 PolarHBondContact O-N 3.32Å; S38-S41 PolarHBondContact O-OG 2.94Å |
| 39 | K | 90.1 | Very high | 95 | Very high | 110 Ų | 110 | 48 Ų | 48 | 48% | 0.478 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -60.5 | -38.3 | -174.7 | -63 | -178 | -177.8 | 176.7 | 0 | 111.9 | W36 D37 I141 | W36-K39 WeakPolarHBondContact O-CB 3.37Å; W36-K39 PolarHBondContact O-N 3.42Å; D37-K39 PolarHBondContact O-N 3.11Å; K39-I141 HydrophobicContact CB-CD1 4.09Å; K39-I141 WeakPolarHBondContact O-CD1 3.5Å |
| 40 | F | 93.8 | Very high | 95 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -107.5 | 13.5 | -173.7 | -72.1 | 28.9 | 0 | 0 | 0 | 111.5 | F33 W36 S38 L42 L43 R44 F138 | F33-F40 HydrophobicContact CB-CB 4.25Å; F33-F40 AromaticContact CD1-CD2 3.97Å; F33-F40 HydrophobicContact CD1-CD2 3.97Å; F33-F40 WeakPolarHBondContact O-CB 3.26Å; W36-F40 HydrophobicContact CB-CB 4.16Å; W36-F40 HydrophobicContact CB-CD1 3.73Å; W36-F40 HydrophobicContact CB-CD2 4.02Å; W36-F40 HydrophobicContact CB-CE1 4.07Å; W36-F40 HydrophobicContact CB-CE2 4.32Å; W36-F40 HydrophobicContact CB-CG 3.7Å; W36-F40 HydrophobicContact CB-CZ 4.35Å; W36-F40 AromaticContact CD1-CD2 3.02Å; W36-F40 AromaticContact CD1-CE2 3.18Å; W36-F40 AromaticContact CD1-CG 3.62Å; W36-F40 AromaticContact CD1-CZ 3.91Å; W36-F40 HydrophobicContact CD2-CE2 4.28Å; W36-F40 HydrophobicContact CD2-CZ 4.39Å; W36-F40 HydrophobicContact CG-CD1 4.1Å; W36-F40 AromaticContact CG-CD2 3.64Å; W36-F40 HydrophobicContact CG-CD2 3.64Å; W36-F40 HydrophobicContact CG-CE1 4.13Å; W36-F40 AromaticContact CG-CE2 3.64Å; W36-F40 HydrophobicContact CG-CE2 3.64Å; W36-F40 AromaticContact CG-CG 3.87Å; W36-F40 HydrophobicContact CG-CG 3.87Å; W36-F40 AromaticContact CG-CZ 3.9Å; W36-F40 HydrophobicContact CG-CZ 3.9Å; W36-F40 AromaticContact NE1-CD2 3.73Å; W36-F40 AromaticContact NE1-CE2 3.5Å; S38-F40 VanDerWaalsContact C-N 3.27Å; S38-F40 PolarHBondContact O-N 3.12Å; F40-L42 VanDerWaalsContact C-N 3.3Å; F40-L42 PolarHBondContact O-N 3.14Å; F40-L43 HydrophobicContact CB-CD1 4.15Å; F40-L43 HydrophobicContact CG-CD1 4.35Å; F40-L43 PolarHBondContact O-N 3.3Å; F40-L43 VanDerWaalsContact O-N 3.1Å; F40-R44 PolarHBondContact O-N 2.9Å; F40-F138 HydrophobicContact CD1-CD2 4.37Å; F40-F138 AromaticContact CD1-CE2 3.43Å; F40-F138 HydrophobicContact CD1-CE2 3.43Å; F40-F138 VanDerWaalsContact CD1-CE2 3.43Å; F40-F138 HydrophobicContact CD1-CZ 4.16Å; F40-F138 HydrophobicContact CD2-CE2 4.04Å; F40-F138 HydrophobicContact CD2-CZ 4.15Å; F40-F138 HydrophobicContact CE1-CD2 4.37Å; F40-F138 AromaticContact CE1-CE2 3.35Å; F40-F138 HydrophobicContact CE1-CE2 3.35Å; F40-F138 AromaticContact CE1-CZ 3.73Å; F40-F138 HydrophobicContact CE1-CZ 3.73Å; F40-F138 AromaticContact CE2-CE2 3.99Å; F40-F138 HydrophobicContact CE2-CE2 3.99Å; F40-F138 AromaticContact CE2-CZ 3.74Å; F40-F138 HydrophobicContact CE2-CZ 3.74Å; F40-F138 AromaticContact CG-CE2 3.81Å; F40-F138 HydrophobicContact CG-CE2 3.81Å; F40-F138 HydrophobicContact CG-CZ 4.38Å; F40-F138 AromaticContact CZ-CE2 3.66Å; F40-F138 HydrophobicContact CZ-CE2 3.66Å; F40-F138 AromaticContact CZ-CZ 3.51Å; F40-F138 HydrophobicContact CZ-CZ 3.51Å |
| 41 | S | 93.7 | Very high | 95.2 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.5 | -37.7 | -177.2 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | S38 R44 N45 | S38-S41 WeakPolarHBondContact O-CB 3.4Å; S38-S41 PolarHBondContact O-N 3.32Å; S38-S41 PolarHBondContact O-OG 2.94Å; S41-R44 PolarHBondContact O-N 2.88Å; S41-N45 WeakPolarHBondContact O-CB 3.46Å; S41-N45 PolarHBondContact O-N 3.35Å; S41-N45 PolarHBondContact O-ND2 2.93Å; S41-N45 PolarHBondContact O-OD1 2.69Å |
| 42 | L | 91.6 | Very high | 95.3 | Very high | 141 Ų | 141 | 53.1 Ų | 53.1 | 74% | 0.738 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | 177 | -66.1 | -179.8 | 0 | 0 | 0 | 112.4 | F40 D46 | F40-L42 VanDerWaalsContact C-N 3.3Å; F40-L42 PolarHBondContact O-N 3.14Å; L42-D46 PolarHBondContact O-N 2.8Å |
| 43 | L | 93.7 | Very high | 95.4 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 176.7 | -59.8 | 102.3 | 0 | 0 | 0 | 110.7 | F33 F40 N45 D46 V47 F138 | F33-L43 HydrophobicContact CD1-CB 4.27Å; F33-L43 HydrophobicContact CD2-CB 3.87Å; F33-L43 HydrophobicContact CE1-CB 4.37Å; F33-L43 HydrophobicContact CE1-CD2 4.16Å; F33-L43 HydrophobicContact CE2-CB 3.97Å; F33-L43 HydrophobicContact CG-CB 4.03Å; F33-L43 HydrophobicContact CZ-CB 4.24Å; F33-L43 HydrophobicContact CZ-CD2 4.19Å; F40-L43 HydrophobicContact CB-CD1 4.15Å; F40-L43 HydrophobicContact CG-CD1 4.35Å; F40-L43 PolarHBondContact O-N 3.3Å; F40-L43 VanDerWaalsContact O-N 3.1Å; L43-N45 PolarHBondContact O-N 2.81Å; L43-D46 PolarHBondContact O-N 3.37Å; L43-V47 PolarHBondContact O-N 3.24Å; L43-V47 VanDerWaalsContact O-N 3.17Å; L43-F138 HydrophobicContact CD1-CD2 3.61Å; L43-F138 HydrophobicContact CD1-CE2 3.38Å; L43-F138 HydrophobicContact CD1-CG 4.47Å; L43-F138 HydrophobicContact CD1-CZ 4.11Å; L43-F138 HydrophobicContact CD2-CE2 4.46Å; L43-F138 HydrophobicContact CD2-CZ 4.42Å |
| 44 | R | 96.7 | Very high | 95.4 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 176.6 | -172.6 | 177.1 | 175.3 | -74.4 | -10.7 | 111.7 | C30 F33 F40 S41 D46 V47 E48 | C30-R44 VanDerWaalsContact SG-CG 3.54Å; F33-R44 HydrophobicContact CB-CB 3.99Å; F40-R44 PolarHBondContact O-N 2.9Å; S41-R44 PolarHBondContact O-N 2.88Å; R44-D46 PolarHBondContact O-N 3.1Å; R44-V47 PolarHBondContact O-N 2.77Å; R44-E48 IonicContact CZ-OE1 2.69Å; R44-E48 IonicContact NE-OE1 3.69Å; R44-E48 IonicContact NH1-OE1 2.84Å; R44-E48 PolarHBondContact NH1-OE1 3.46Å; R44-E48 IonicContact NH1-OE2 3.43Å; R44-E48 PolarHBondContact NH1-OE2 2.8Å; R44-E48 IonicContact NH2-OE1 3.49Å; R44-E48 PolarHBondContact NH2-OE1 3.32Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 2.63Å |
| 45 | N | 96.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -36.4 | -178.9 | -69.5 | -11.2 | 0 | 0 | 0 | 112.5 | S41 L43 E48 G49 | S41-N45 WeakPolarHBondContact O-CB 3.46Å; S41-N45 PolarHBondContact O-N 3.35Å; S41-N45 PolarHBondContact O-ND2 2.93Å; S41-N45 PolarHBondContact O-OD1 2.69Å; L43-N45 PolarHBondContact O-N 2.81Å; N45-E48 PolarHBondContact O-N 3.39Å; N45-G49 PolarHBondContact O-N 3.36Å |
| 46 | D | 96.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 174.1 | 179.2 | 72.8 | 0 | 0 | 0 | 111.4 | L42 L43 R44 E48 G49 N50 | L42-D46 PolarHBondContact O-N 2.8Å; L43-D46 PolarHBondContact O-N 3.37Å; R44-D46 PolarHBondContact O-N 3.1Å; D46-E48 PolarHBondContact O-N 3Å; D46-G49 PolarHBondContact O-N 2.87Å; D46-N50 PolarHBondContact O-N 3.25Å; D46-N50 PolarHBondContact O-ND2 3.38Å; D46-N50 PolarHBondContact OD2-ND2 2.97Å |
| 47 | V | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | I29 C30 F33 L43 R44 G49 N50 I51 L88 T91 | I29-V47 HydrophobicContact CG2-CG2 4.31Å; C30-V47 HydrophobicContact CB-CG1 3.97Å; F33-V47 HydrophobicContact CD2-CG2 4.06Å; F33-V47 HydrophobicContact CE2-CG2 3.71Å; L43-V47 PolarHBondContact O-N 3.24Å; L43-V47 VanDerWaalsContact O-N 3.17Å; R44-V47 PolarHBondContact O-N 2.77Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.1Å; V47-N50 PolarHBondContact O-N 2.87Å; V47-I51 HydrophobicContact CG1-CD1 3.81Å; V47-I51 HydrophobicContact CG1-CG1 4.38Å; V47-I51 WeakPolarHBondContact O-CG1 3.34Å; V47-I51 PolarHBondContact O-N 3.47Å; V47-L88 HydrophobicContact CB-CD2 4.48Å; V47-L88 HydrophobicContact CG1-CD2 3.82Å; V47-T91 HydrophobicContact CG2-CG2 3.72Å |
| 48 | E | 98.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 59.7 Ų | 59.7 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 176.6 | -74.7 | -174.1 | 158.5 | 0 | 0 | 112.6 | C30 R44 N45 D46 I51 K52 | C30-E48 WeakPolarHBondContact SG-CG 3.48Å; C30-E48 PolarHBondContact SG-OE1 3.02Å; R44-E48 IonicContact CZ-OE1 2.69Å; R44-E48 IonicContact NE-OE1 3.69Å; R44-E48 IonicContact NH1-OE1 2.84Å; R44-E48 PolarHBondContact NH1-OE1 3.46Å; R44-E48 IonicContact NH1-OE2 3.43Å; R44-E48 PolarHBondContact NH1-OE2 2.8Å; R44-E48 IonicContact NH2-OE1 3.49Å; R44-E48 PolarHBondContact NH2-OE1 3.32Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 2.63Å; N45-E48 PolarHBondContact O-N 3.39Å; D46-E48 PolarHBondContact O-N 3Å; E48-I51 PolarHBondContact O-N 2.94Å; E48-K52 WeakPolarHBondContact O-CG 3.33Å; E48-K52 PolarHBondContact O-N 3.43Å |
| 49 | G | 98.7 | Very high | 96.8 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | N45 D46 V47 K52 K53 | N45-G49 PolarHBondContact O-N 3.36Å; D46-G49 PolarHBondContact O-N 2.87Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.1Å; G49-K52 PolarHBondContact O-N 2.9Å; G49-K53 WeakPolarHBondContact O-CG 3.5Å; G49-K53 PolarHBondContact O-N 3.02Å |
| 50 | N | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73 | -34.5 | 179 | -65.1 | -41.2 | 0 | 0 | 0 | 112.6 | D46 V47 K52 K53 V54 L88 | D46-N50 PolarHBondContact O-N 3.25Å; D46-N50 PolarHBondContact O-ND2 3.38Å; D46-N50 PolarHBondContact OD2-ND2 2.97Å; V47-N50 PolarHBondContact O-N 2.87Å; N50-K52 VanDerWaalsContact C-N 3.32Å; N50-K52 PolarHBondContact O-N 3.44Å; N50-K53 PolarHBondContact O-N 2.92Å; N50-K53 PolarHBondContact OD1-NZ 3.37Å; N50-K53 VanDerWaalsContact OD1-NZ 3.15Å; N50-V54 PolarHBondContact O-N 3.38Å; N50-V54 VanDerWaalsContact O-N 3.08Å; N50-L88 HydrophobicContact CB-CD1 4.2Å; N50-L88 HydrophobicContact CB-CD2 3.97Å; N50-L88 HydrophobicContact CB-CG 3.68Å |
| 51 | I | 98.8 | Very high | 97.3 | Very high | 26 Ų | 26 | 60 Ų | 60 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 169.7 | -74.7 | 166 | 0 | 0 | 0 | 110.7 | L23 C30 V47 E48 K53 V54 T55 L88 | L23-I51 HydrophobicContact CD2-CG2 4.21Å; C30-I51 HydrophobicContact CB-CD1 4.38Å; V47-I51 HydrophobicContact CG1-CD1 3.81Å; V47-I51 HydrophobicContact CG1-CG1 4.38Å; V47-I51 WeakPolarHBondContact O-CG1 3.34Å; V47-I51 PolarHBondContact O-N 3.47Å; E48-I51 PolarHBondContact O-N 2.94Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 3.12Å; I51-V54 PolarHBondContact O-N 3.14Å; I51-T55 WeakPolarHBondContact O-CB 3.36Å; I51-T55 PolarHBondContact O-N 2.87Å; I51-T55 PolarHBondContact O-OG1 3.43Å; I51-L88 HydrophobicContact CG1-CD1 4.17Å; I51-L88 HydrophobicContact CG1-CD2 4.05Å |
| 52 | K | 98.8 | Very high | 97.5 | Very high | 146 Ų | 146 | 66.2 Ų | 66.2 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 179 | -73.4 | 172.1 | -175.6 | 175.9 | 0 | 112.1 | E48 G49 N50 R56 | E48-K52 WeakPolarHBondContact O-CG 3.33Å; E48-K52 PolarHBondContact O-N 3.43Å; G49-K52 PolarHBondContact O-N 2.9Å; N50-K52 VanDerWaalsContact C-N 3.32Å; N50-K52 PolarHBondContact O-N 3.44Å; K52-R56 VanDerWaalsContact O-CB 3.26Å; K52-R56 WeakPolarHBondContact O-CB 3.4Å; K52-R56 PolarHBondContact O-N 3.11Å |
| 53 | K | 98.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -52 | 176.4 | -70.4 | 171.7 | -173.4 | 166.7 | 0 | 111.6 | G49 N50 I51 T55 R56 A57 S80 | G49-K53 WeakPolarHBondContact O-CG 3.5Å; G49-K53 PolarHBondContact O-N 3.02Å; N50-K53 PolarHBondContact O-N 2.92Å; N50-K53 PolarHBondContact OD1-NZ 3.37Å; N50-K53 VanDerWaalsContact OD1-NZ 3.15Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 3.12Å; K53-T55 PolarHBondContact O-N 3.38Å; K53-R56 PolarHBondContact O-N 3.02Å; K53-A57 WeakPolarHBondContact O-CB 3.44Å; K53-A57 PolarHBondContact O-N 3.36Å; K53-S80 WeakPolarHBondContact CB-O 3.34Å |
| 54 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | T19 L23 N50 I51 R56 A57 S58 L69 G81 L85 L88 | T19-V54 HydrophobicContact CG2-CG1 4.29Å; L23-V54 HydrophobicContact CD2-CB 4.03Å; L23-V54 HydrophobicContact CD2-CG1 3.88Å; N50-V54 PolarHBondContact O-N 3.38Å; N50-V54 VanDerWaalsContact O-N 3.08Å; I51-V54 PolarHBondContact O-N 3.14Å; V54-R56 PolarHBondContact O-N 3.34Å; V54-A57 PolarHBondContact O-N 3.43Å; V54-S58 PolarHBondContact O-N 2.99Å; V54-S58 PolarHBondContact O-OG 3.41Å; V54-L69 HydrophobicContact CG1-CD1 3.96Å; V54-G81 WeakPolarHBondContact CG2-O 3.26Å; V54-L85 HydrophobicContact CG2-CB 3.92Å; V54-L88 HydrophobicContact CG2-CD1 3.91Å |
| 55 | T | 98.7 | Very high | 97.9 | Very high | 53 Ų | 53 | 60 Ų | 60 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | I51 K53 S58 T59 | I51-T55 WeakPolarHBondContact O-CB 3.36Å; I51-T55 PolarHBondContact O-N 2.87Å; I51-T55 PolarHBondContact O-OG1 3.43Å; K53-T55 PolarHBondContact O-N 3.38Å; T55-S58 PolarHBondContact O-N 2.81Å; T55-S58 PolarHBondContact O-OG 3.43Å; T55-T59 WeakPolarHBondContact O-CB 3.38Å; T55-T59 PolarHBondContact O-N 3.42Å; T55-T59 PolarHBondContact O-OG1 3.12Å; T55-T59 VanDerWaalsContact O-OG1 3.06Å |
| 56 | R | 98.6 | Very high | 98 | Very high | 175 Ų | 175 | 55.9 Ų | 55.9 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 179.7 | -178 | 178 | -179.3 | 178.5 | -2 | 111.4 | K52 K53 V54 T59 N60 | K52-R56 VanDerWaalsContact O-CB 3.26Å; K52-R56 WeakPolarHBondContact O-CB 3.4Å; K52-R56 PolarHBondContact O-N 3.11Å; K53-R56 PolarHBondContact O-N 3.02Å; V54-R56 PolarHBondContact O-N 3.34Å; R56-T59 PolarHBondContact O-N 3.45Å; R56-N60 WeakPolarHBondContact O-CB 3.48Å; R56-N60 PolarHBondContact O-N 3.41Å |
| 57 | A | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K53 V54 T59 N60 L61 L69 E73 | K53-A57 WeakPolarHBondContact O-CB 3.44Å; K53-A57 PolarHBondContact O-N 3.36Å; V54-A57 PolarHBondContact O-N 3.43Å; A57-T59 VanDerWaalsContact C-N 3.3Å; A57-T59 PolarHBondContact O-N 2.86Å; A57-N60 PolarHBondContact O-N 3.05Å; A57-L61 VanDerWaalsContact O-CB 3.32Å; A57-L61 WeakPolarHBondContact O-CB 3.19Å; A57-L61 VanDerWaalsContact O-CG 3.26Å; A57-L61 WeakPolarHBondContact O-CG 3.49Å; A57-L61 PolarHBondContact O-N 3.18Å; A57-L69 HydrophobicContact CB-CD1 4.11Å; A57-L69 HydrophobicContact CB-CG 4.43Å; A57-E73 VanDerWaalsContact CB-OE1 3.25Å; A57-E73 WeakPolarHBondContact CB-OE1 3.43Å |
| 58 | S | 97.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 179.4 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | V54 T55 H62 V63 | V54-S58 PolarHBondContact O-N 2.99Å; V54-S58 PolarHBondContact O-OG 3.41Å; T55-S58 PolarHBondContact O-N 2.81Å; T55-S58 PolarHBondContact O-OG 3.43Å; S58-H62 PolarHBondContact O-N 3.16Å; S58-H62 VanDerWaalsContact O-N 3.08Å; S58-V63 PolarHBondContact O-N 3.26Å; S58-V63 VanDerWaalsContact O-N 3.12Å |
| 59 | T | 98.2 | Very high | 98.1 | Very high | 87 Ų | 87 | 57 Ų | 57 | 53% | 0.534 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67 | -47.4 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 112 | T55 R56 A57 L61 H62 | T55-T59 WeakPolarHBondContact O-CB 3.38Å; T55-T59 PolarHBondContact O-N 3.42Å; T55-T59 PolarHBondContact O-OG1 3.12Å; T55-T59 VanDerWaalsContact O-OG1 3.06Å; R56-T59 PolarHBondContact O-N 3.45Å; A57-T59 VanDerWaalsContact C-N 3.3Å; A57-T59 PolarHBondContact O-N 2.86Å; T59-L61 VanDerWaalsContact C-N 3.31Å; T59-L61 PolarHBondContact O-N 3.03Å; T59-H62 PolarHBondContact O-N 3.23Å |
| 60 | N | 97.4 | Very high | 98.1 | Very high | 99 Ų | 99 | 55.7 Ų | 55.7 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.7 | -32.6 | -178.1 | -75.3 | -7.7 | 0 | 0 | 0 | 113.1 | R56 A57 | R56-N60 WeakPolarHBondContact O-CB 3.48Å; R56-N60 PolarHBondContact O-N 3.41Å; A57-N60 PolarHBondContact O-N 3.05Å |
| 61 | L | 96.6 | Very high | 98 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -89.7 | -6.8 | -180 | -62.3 | 169.6 | 0 | 0 | 0 | 112.4 | A57 T59 V63 N72 E73 | A57-L61 VanDerWaalsContact O-CB 3.32Å; A57-L61 WeakPolarHBondContact O-CB 3.19Å; A57-L61 VanDerWaalsContact O-CG 3.26Å; A57-L61 WeakPolarHBondContact O-CG 3.49Å; A57-L61 PolarHBondContact O-N 3.18Å; T59-L61 VanDerWaalsContact C-N 3.31Å; T59-L61 PolarHBondContact O-N 3.03Å; L61-V63 VanDerWaalsContact C-N 3.26Å; L61-V63 HydrophobicContact CB-CG1 4.05Å; L61-V63 HydrophobicContact CB-CG2 4.04Å; L61-V63 PolarHBondContact O-N 3.21Å; L61-N72 HydrophobicContact CB-CB 4.43Å; L61-N72 HydrophobicContact CD1-CB 3.87Å; L61-N72 HydrophobicContact CD2-CB 4.08Å; L61-N72 HydrophobicContact CG-CB 4.34Å; L61-E73 HydrophobicContact CD1-CG 3.66Å |
| 62 | H | 96.8 | Very high | 97.9 | Very high | 173 Ų | 173 | 58.8 Ų | 58.8 | 80% | 0.801 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 39.9 | -175.9 | -57.4 | -73.8 | 0 | 0 | 0 | 113.5 | S58 T59 | S58-H62 PolarHBondContact O-N 3.16Å; S58-H62 VanDerWaalsContact O-N 3.08Å; T59-H62 PolarHBondContact O-N 3.23Å |
| 63 | V | 96.7 | Very high | 97.8 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | trans | -107.8 | 147.7 | -179.1 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | S58 L61 D68 L69 | S58-V63 PolarHBondContact O-N 3.26Å; S58-V63 VanDerWaalsContact O-N 3.12Å; L61-V63 VanDerWaalsContact C-N 3.26Å; L61-V63 HydrophobicContact CB-CG1 4.05Å; L61-V63 HydrophobicContact CB-CG2 4.04Å; L61-V63 PolarHBondContact O-N 3.21Å; V63-D68 HydrophobicContact CB-CB 3.79Å; V63-D68 HydrophobicContact CG1-CB 3.67Å; V63-L69 HydrophobicContact CG2-CB 3.91Å | ||
| 64 | S | 96.4 | Very high | 97.5 | Very high | 87 Ų | 87 | 52.8 Ų | 52.8 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | trans | -112.2 | -10.1 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | T19 | T19-S64 WeakPolarHBondContact CB-O 3.47Å; T19-S64 PolarHBondContact N-O 2.99Å; T19-S64 PolarHBondContact OG1-O 3Å; T19-S64 VanDerWaalsContact OG1-O 3.13Å | ||
| 65 | T | 98.1 | Very high | 96.8 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -115.9 | 152.5 | 178.2 | 76.7 | 0 | 0 | 0 | 0 | 111.8 | N16 L17 T19 Y67 D68 L69 | N16-T65 HydrophobicContact CB-CG2 3.99Å; L17-T65 WeakPolarHBondContact O-CA 3.45Å; T19-T65 PolarHBondContact OG1-N 3.18Å; T19-T65 PolarHBondContact OG1-O 3.21Å; T65-Y67 VanDerWaalsContact C-N 3.29Å; T65-D68 PolarHBondContact O-N 3.23Å; T65-D68 WeakPolarHBondContact OG1-CB 3.39Å; T65-D68 PolarHBondContact OG1-N 3.5Å; T65-D68 PolarHBondContact OG1-OD2 3.47Å; T65-L69 PolarHBondContact O-N 3.29Å; T65-L69 VanDerWaalsContact O-N 3.11Å |
| 66 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.8 | -35 | 175.7 | -62.3 | -176.6 | 0 | 0 | 0 | 111.3 | N16 L17 T19 F22 L69 L70 L85 L181 | N16-L66 PolarHBondContact O-N 3.01Å; L17-L66 HydrophobicContact CB-CB 4.41Å; L17-L66 HydrophobicContact CB-CD1 3.79Å; L17-L66 HydrophobicContact CB-CG 4.13Å; L17-L66 HydrophobicContact CD1-CD1 4.15Å; L17-L66 PolarHBondContact O-N 3.04Å; T19-L66 HydrophobicContact CG2-CD2 4.14Å; T19-L66 PolarHBondContact OG1-N 3.38Å; F22-L66 HydrophobicContact CB-CD1 3.82Å; F22-L66 HydrophobicContact CB-CD2 4.16Å; F22-L66 HydrophobicContact CB-CG 4.3Å; F22-L66 HydrophobicContact CD1-CD1 4.16Å; F22-L66 HydrophobicContact CD1-CD2 4.11Å; F22-L66 HydrophobicContact CD2-CD1 3.81Å; F22-L66 HydrophobicContact CE2-CD1 4.47Å; F22-L66 HydrophobicContact CG-CD1 3.64Å; F22-L66 HydrophobicContact CG-CD2 4.22Å; F22-L66 HydrophobicContact CG-CG 4.46Å; L66-L69 PolarHBondContact O-N 3.37Å; L66-L70 WeakPolarHBondContact O-CG 3.5Å; L66-L70 PolarHBondContact O-N 2.84Å; L66-L70 VanDerWaalsContact O-N 3.07Å; L66-L85 HydrophobicContact CB-CD2 4.22Å; L66-L85 HydrophobicContact CD1-CD1 4.09Å; L66-L85 HydrophobicContact CD2-CD1 4.04Å; L66-L85 HydrophobicContact CD2-CD2 4.12Å; L66-L181 HydrophobicContact CD1-CD1 3.85Å; L66-L181 HydrophobicContact CD1-CD2 4.26Å |
| 67 | Y | 98.2 | Very high | 96 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 173.6 | -175.3 | -87.9 | 0 | 0 | 0 | 111.4 | N16 T65 L69 L70 A71 M184 L187 F188 | N16-Y67 PolarHBondContact O-N 2.85Å; T65-Y67 VanDerWaalsContact C-N 3.29Å; Y67-L69 VanDerWaalsContact C-N 3.3Å; Y67-L69 PolarHBondContact O-N 2.72Å; Y67-L70 PolarHBondContact O-N 3.34Å; Y67-A71 HydrophobicContact CD1-CB 4.47Å; Y67-A71 HydrophobicContact CE1-CB 4.25Å; Y67-A71 WeakPolarHBondContact O-CB 3.37Å; Y67-A71 PolarHBondContact O-N 2.92Å; Y67-M184 HydrophobicContact CD2-CG 4.4Å; Y67-M184 HydrophobicContact CD2-SD 4.05Å; Y67-M184 HydrophobicContact CG-SD 4.48Å; Y67-L187 HydrophobicContact CE2-CD2 4.17Å; Y67-F188 AromaticContact CD2-CE2 3.89Å; Y67-F188 HydrophobicContact CD2-CE2 3.89Å; Y67-F188 HydrophobicContact CD2-CZ 4.21Å; Y67-F188 HydrophobicContact CE1-CZ 4.42Å; Y67-F188 AromaticContact CE2-CE2 3.77Å; Y67-F188 HydrophobicContact CE2-CE2 3.77Å; Y67-F188 AromaticContact CE2-CZ 3.82Å; Y67-F188 HydrophobicContact CE2-CZ 3.82Å; Y67-F188 AromaticContact CZ-CZ 3.94Å |
| 68 | D | 97.7 | Very high | 95.8 | Very high | 63 Ų | 63 | 68.4 Ų | 68.4 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | -179.1 | -66 | -37.6 | 0 | 0 | 0 | 111.7 | V63 T65 A71 N72 | V63-D68 HydrophobicContact CB-CB 3.79Å; V63-D68 HydrophobicContact CG1-CB 3.67Å; T65-D68 PolarHBondContact O-N 3.23Å; T65-D68 WeakPolarHBondContact OG1-CB 3.39Å; T65-D68 PolarHBondContact OG1-N 3.5Å; T65-D68 PolarHBondContact OG1-OD2 3.47Å; D68-A71 PolarHBondContact O-N 3.46Å; D68-N72 VanDerWaalsContact O-CB 3.28Å; D68-N72 WeakPolarHBondContact O-CB 2.93Å; D68-N72 PolarHBondContact O-N 3.37Å; D68-N72 PolarHBondContact O-ND2 3.16Å |
| 69 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58 | -51.4 | 172.5 | -175.9 | 156.1 | 0 | 0 | 0 | 111 | V54 A57 V63 T65 L66 Y67 N72 E73 | V54-L69 HydrophobicContact CG1-CD1 3.96Å; A57-L69 HydrophobicContact CB-CD1 4.11Å; A57-L69 HydrophobicContact CB-CG 4.43Å; V63-L69 HydrophobicContact CG2-CB 3.91Å; T65-L69 PolarHBondContact O-N 3.29Å; T65-L69 VanDerWaalsContact O-N 3.11Å; L66-L69 PolarHBondContact O-N 3.37Å; Y67-L69 VanDerWaalsContact C-N 3.3Å; Y67-L69 PolarHBondContact O-N 2.72Å; L69-N72 PolarHBondContact O-N 2.93Å; L69-E73 PolarHBondContact O-N 3.47Å |
| 70 | L | 98.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 179.2 | -66.9 | 174 | 0 | 0 | 0 | 111.6 | L66 Y67 N72 E73 I74 S82 L85 M184 L185 F188 L190 | L66-L70 WeakPolarHBondContact O-CG 3.5Å; L66-L70 PolarHBondContact O-N 2.84Å; L66-L70 VanDerWaalsContact O-N 3.07Å; Y67-L70 PolarHBondContact O-N 3.34Å; L70-N72 VanDerWaalsContact C-N 3.29Å; L70-N72 PolarHBondContact O-N 3.37Å; L70-E73 PolarHBondContact O-N 3.12Å; L70-I74 PolarHBondContact O-N 3.08Å; L70-S82 WeakPolarHBondContact CD2-OG 3.25Å; L70-L85 HydrophobicContact CD1-CD2 4.24Å; L70-L85 HydrophobicContact CD2-CD2 4Å; L70-L85 HydrophobicContact CG-CD2 4.08Å; L70-M184 HydrophobicContact CD1-CB 4.01Å; L70-L185 HydrophobicContact CD1-CD2 4.27Å; L70-L185 HydrophobicContact CD2-CD2 4.11Å; L70-F188 HydrophobicContact CB-CD1 4.13Å; L70-F188 HydrophobicContact CB-CD2 3.54Å; L70-F188 HydrophobicContact CB-CE1 4.22Å; L70-F188 HydrophobicContact CB-CE2 3.62Å; L70-F188 HydrophobicContact CB-CG 3.83Å; L70-F188 HydrophobicContact CB-CZ 3.98Å; L70-F188 HydrophobicContact CD1-CD2 3.66Å; L70-F188 HydrophobicContact CD1-CE2 4.09Å; L70-F188 HydrophobicContact CD1-CG 4.43Å; L70-F188 HydrophobicContact CG-CD2 4.19Å; L70-L190 HydrophobicContact CD2-CD1 3.58Å |
| 71 | A | 97.7 | Very high | 95.7 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 24% | 0.24 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -30.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y67 D68 I74 F188 | Y67-A71 HydrophobicContact CD1-CB 4.47Å; Y67-A71 HydrophobicContact CE1-CB 4.25Å; Y67-A71 WeakPolarHBondContact O-CB 3.37Å; Y67-A71 PolarHBondContact O-N 2.92Å; D68-A71 PolarHBondContact O-N 3.46Å; A71-I74 WeakPolarHBondContact O-CG2 2.91Å; A71-F188 HydrophobicContact CB-CE1 4.02Å; A71-F188 HydrophobicContact CB-CZ 3.91Å |
| 72 | N | 97.2 | Very high | 95.8 | Very high | 66 Ų | 66 | 62.3 Ų | 62.3 | 35% | 0.353 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -81.8 | -35.2 | 177.2 | -84.9 | -91.6 | 0 | 0 | 0 | 112.6 | L61 D68 L69 L70 R76 | L61-N72 HydrophobicContact CB-CB 4.43Å; L61-N72 HydrophobicContact CD1-CB 3.87Å; L61-N72 HydrophobicContact CD2-CB 4.08Å; L61-N72 HydrophobicContact CG-CB 4.34Å; D68-N72 VanDerWaalsContact O-CB 3.28Å; D68-N72 WeakPolarHBondContact O-CB 2.93Å; D68-N72 PolarHBondContact O-N 3.37Å; D68-N72 PolarHBondContact O-ND2 3.16Å; L69-N72 PolarHBondContact O-N 2.93Å; L70-N72 VanDerWaalsContact C-N 3.29Å; L70-N72 PolarHBondContact O-N 3.37Å; N72-R76 WeakPolarHBondContact O-CD 3.27Å; N72-R76 VanDerWaalsContact O-CG 3.26Å; N72-R76 WeakPolarHBondContact O-CG 3.41Å |
| 73 | E | 97.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -81 | -26 | 179.7 | -75.3 | -165.1 | 164.8 | 0 | 0 | 114.2 | A57 L61 L69 L70 N75 R76 S79 G81 S82 | A57-E73 VanDerWaalsContact CB-OE1 3.25Å; A57-E73 WeakPolarHBondContact CB-OE1 3.43Å; L61-E73 HydrophobicContact CD1-CG 3.66Å; L69-E73 PolarHBondContact O-N 3.47Å; L70-E73 PolarHBondContact O-N 3.12Å; E73-N75 PolarHBondContact O-N 3.06Å; E73-R76 PolarHBondContact O-N 3.29Å; E73-S79 VanDerWaalsContact OE2-C 3.25Å; E73-S79 WeakPolarHBondContact OE2-CA 3.44Å; E73-G81 WeakPolarHBondContact OE1-CA 3.46Å; E73-G81 PolarHBondContact OE1-N 2.93Å; E73-G81 PolarHBondContact OE2-N 3.47Å; E73-S82 WeakPolarHBondContact CB-OG 3.42Å; E73-S82 WeakPolarHBondContact OE2-CA 3.46Å; E73-S82 WeakPolarHBondContact OE2-CB 3.42Å; E73-S82 PolarHBondContact OE2-N 3.49Å; E73-S82 PolarHBondContact OE2-OG 2.93Å |
| 74 | I | 91.3 | Very high | 96 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28.6 | -177.2 | -170.1 | 165.2 | 0 | 0 | 0 | 113.7 | L70 A71 F188 | L70-I74 PolarHBondContact O-N 3.08Å; A71-I74 WeakPolarHBondContact O-CG2 2.91Å; I74-F188 HydrophobicContact CB-CD1 4.3Å; I74-F188 HydrophobicContact CD1-CD1 3.77Å; I74-F188 HydrophobicContact CG2-CD1 4.46Å; I74-F188 HydrophobicContact CG2-CE1 4.49Å |
| 75 | N | 84.8 | Confident | 96.1 | Very high | 146 Ų | 146 | 51.7 Ų | 51.7 | 78% | 0.781 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 15.4 | -179.8 | -62 | -55.4 | 0 | 0 | 0 | 113 | E73 | E73-N75 PolarHBondContact O-N 3.06Š|
| 76 | R | 90.6 | Very high | 96.1 | Very high | 150 Ų | 150 | 51.5 Ų | 51.5 | 57% | 0.566 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -122.1 | 155.6 | -176.8 | -58.7 | 178.8 | 85 | 100.6 | 2.6 | 110.7 | N72 E73 D78 | N72-R76 WeakPolarHBondContact O-CD 3.27Å; N72-R76 VanDerWaalsContact O-CG 3.26Å; N72-R76 WeakPolarHBondContact O-CG 3.41Å; E73-R76 PolarHBondContact O-N 3.29Å; R76-D78 VanDerWaalsContact C-N 3.27Å; R76-D78 PolarHBondContact O-N 3.5Å |
| 77 | D | 89.7 | Confident | 96.1 | Very high | 178 Ų | 178 | 54.2 Ų | 54.2 | 95% | 0.952 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -69.3 | -26.7 | 174.9 | -64.2 | -29.9 | 0 | 0 | 0 | 112.6 | ||
| 78 | D | 93.7 | Very high | 96.1 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | trans | -95.9 | 110.2 | 177.1 | -172.5 | -0.9 | 0 | 0 | 0 | 110.6 | R76 S80 | R76-D78 VanDerWaalsContact C-N 3.27Å; R76-D78 PolarHBondContact O-N 3.5Å; D78-S80 WeakPolarHBondContact OD1-CB 3.29Å; D78-S80 PolarHBondContact OD1-N 3.49Å; D78-S80 PolarHBondContact OD1-OG 3.39Å | ||
| 79 | S | 96.1 | Very high | 96.1 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | trans | -110.5 | 19.7 | 175.3 | 54 | 0 | 0 | 0 | 0 | 112.5 | E73 G81 S82 I83 | E73-S79 VanDerWaalsContact OE2-C 3.25Å; E73-S79 WeakPolarHBondContact OE2-CA 3.44Å; S79-G81 VanDerWaalsContact C-N 3.28Å; S79-G81 PolarHBondContact O-N 2.55Å; S79-S82 PolarHBondContact O-N 2.87Å; S79-I83 WeakPolarHBondContact O-CG1 3.45Å; S79-I83 PolarHBondContact O-N 3.19Å | ||
| 80 | S | 97.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | -172.8 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | K53 D78 G84 | K53-S80 WeakPolarHBondContact CB-O 3.34Å; D78-S80 WeakPolarHBondContact OD1-CB 3.29Å; D78-S80 PolarHBondContact OD1-N 3.49Å; D78-S80 PolarHBondContact OD1-OG 3.39Å; S80-G84 PolarHBondContact O-N 3.41Å |
| 81 | G | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V54 E73 S79 G84 L85 | V54-G81 WeakPolarHBondContact CG2-O 3.26Å; E73-G81 WeakPolarHBondContact OE1-CA 3.46Å; E73-G81 PolarHBondContact OE1-N 2.93Å; E73-G81 PolarHBondContact OE2-N 3.47Å; S79-G81 VanDerWaalsContact C-N 3.28Å; S79-G81 PolarHBondContact O-N 2.55Å; G81-G84 CarbonylContact O-C 3.56Å; G81-G84 WeakPolarHBondContact O-CA 3.33Å; G81-G84 PolarHBondContact O-N 2.85Å; G81-L85 WeakPolarHBondContact O-CB 3.33Å; G81-L85 PolarHBondContact O-N 2.84Å |
| 82 | S | 98.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | -178.5 | -61 | 0 | 0 | 0 | 0 | 111.8 | L70 E73 S79 L85 L86 | L70-S82 WeakPolarHBondContact CD2-OG 3.25Å; E73-S82 WeakPolarHBondContact CB-OG 3.42Å; E73-S82 WeakPolarHBondContact OE2-CA 3.46Å; E73-S82 WeakPolarHBondContact OE2-CB 3.42Å; E73-S82 PolarHBondContact OE2-N 3.49Å; E73-S82 PolarHBondContact OE2-OG 2.93Å; S79-S82 PolarHBondContact O-N 2.87Å; S82-L85 WeakPolarHBondContact O-CB 3.36Å; S82-L85 PolarHBondContact O-N 3.49Å; S82-L86 WeakPolarHBondContact O-CB 3.47Å; S82-L86 PolarHBondContact O-N 3.34Å |
| 83 | I | 98 | Very high | 96.1 | Very high | 60 Ų | 60 | 47 Ų | 47 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 173.7 | -63.6 | -61.7 | 0 | 0 | 0 | 110.8 | S79 L85 L86 W87 L190 | S79-I83 WeakPolarHBondContact O-CG1 3.45Å; S79-I83 PolarHBondContact O-N 3.19Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.35Å; I83-L86 PolarHBondContact O-N 3.17Å; I83-W87 VanDerWaalsContact O-CD1 3.24Å; I83-W87 PolarHBondContact O-N 3.04Å; I83-W87 VanDerWaalsContact O-N 3.11Å; I83-L190 HydrophobicContact CD1-CD2 4.17Å |
| 84 | G | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | S80 G81 W87 L88 | S80-G84 PolarHBondContact O-N 3.41Å; G81-G84 CarbonylContact O-C 3.56Å; G81-G84 WeakPolarHBondContact O-CA 3.33Å; G81-G84 PolarHBondContact O-N 2.85Å; G84-W87 PolarHBondContact O-N 3.38Å; G84-L88 WeakPolarHBondContact O-CG 3.42Å; G84-L88 PolarHBondContact O-N 3.36Å |
| 85 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 178 | -179.1 | 56.5 | 0 | 0 | 0 | 111.7 | F22 V54 L66 L70 G81 S82 I83 W87 L88 K89 L181 | F22-L85 HydrophobicContact CD1-CD1 3.78Å; F22-L85 HydrophobicContact CE1-CD1 3.2Å; F22-L85 HydrophobicContact CE2-CD1 4.29Å; F22-L85 HydrophobicContact CZ-CD1 3.51Å; V54-L85 HydrophobicContact CG2-CB 3.92Å; L66-L85 HydrophobicContact CB-CD2 4.22Å; L66-L85 HydrophobicContact CD1-CD1 4.09Å; L66-L85 HydrophobicContact CD2-CD1 4.04Å; L66-L85 HydrophobicContact CD2-CD2 4.12Å; L70-L85 HydrophobicContact CD1-CD2 4.24Å; L70-L85 HydrophobicContact CD2-CD2 4Å; L70-L85 HydrophobicContact CG-CD2 4.08Å; G81-L85 WeakPolarHBondContact O-CB 3.33Å; G81-L85 PolarHBondContact O-N 2.84Å; S82-L85 WeakPolarHBondContact O-CB 3.36Å; S82-L85 PolarHBondContact O-N 3.49Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.35Å; L85-W87 PolarHBondContact O-N 2.85Å; L85-L88 PolarHBondContact O-N 2.99Å; L85-K89 WeakPolarHBondContact O-CB 3.41Å; L85-K89 PolarHBondContact O-N 2.89Å; L85-L181 HydrophobicContact CD1-CD1 4.14Å; L85-L181 HydrophobicContact CD1-CD2 3.94Å; L85-L181 HydrophobicContact CD2-CD1 4Å; L85-L181 HydrophobicContact CG-CD1 4.12Å |
| 86 | L | 98.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.5 | -49.6 | 174.4 | 175.9 | 64.4 | 0 | 0 | 0 | 111.9 | S82 I83 K89 R90 L185 L190 E191 | S82-L86 WeakPolarHBondContact O-CB 3.47Å; S82-L86 PolarHBondContact O-N 3.34Å; I83-L86 PolarHBondContact O-N 3.17Å; L86-K89 PolarHBondContact O-N 3.48Å; L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 3.4Å; L86-L185 HydrophobicContact CB-CD2 4.36Å; L86-L185 HydrophobicContact CD1-CD1 4.09Å; L86-L190 WeakPolarHBondContact CD1-O 3.33Å; L86-L190 VanDerWaalsContact CD2-O 3.23Å; L86-L190 WeakPolarHBondContact CD2-O 3.5Å; L86-E191 HydrophobicContact CD1-CB 3.99Å; L86-E191 HydrophobicContact CD1-CG 4.37Å; L86-E191 WeakPolarHBondContact CD1-OE2 3.47Å |
| 87 | W | 98.4 | Very high | 97.5 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 22% | 0.22 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | 180 | -77.4 | 107.1 | 0 | 0 | 0 | 112.6 | I83 G84 L85 R90 T91 H127 M131 | I83-W87 VanDerWaalsContact O-CD1 3.24Å; I83-W87 PolarHBondContact O-N 3.04Å; I83-W87 VanDerWaalsContact O-N 3.11Å; G84-W87 PolarHBondContact O-N 3.38Å; L85-W87 PolarHBondContact O-N 2.85Å; W87-R90 PolarHBondContact O-N 2.99Å; W87-T91 WeakPolarHBondContact O-CB 3.49Å; W87-T91 PolarHBondContact O-N 3.32Å; W87-T91 PolarHBondContact O-OG1 3.49Å; W87-T91 VanDerWaalsContact O-OG1 3.08Å; W87-H127 AromaticContact CZ3-CD2 3.82Å; W87-H127 AromaticContact CZ3-NE2 3.92Å; W87-M131 HydrophobicContact CH2-CE 4.3Å |
| 88 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 171.1 | -75.5 | 171.5 | 0 | 0 | 0 | 111.6 | F22 V47 N50 I51 V54 G84 L85 R90 T91 I92 | F22-L88 HydrophobicContact CE1-CB 4.03Å; F22-L88 HydrophobicContact CE1-CD1 3.92Å; F22-L88 HydrophobicContact CZ-CB 3.95Å; V47-L88 HydrophobicContact CB-CD2 4.48Å; V47-L88 HydrophobicContact CG1-CD2 3.82Å; N50-L88 HydrophobicContact CB-CD1 4.2Å; N50-L88 HydrophobicContact CB-CD2 3.97Å; N50-L88 HydrophobicContact CB-CG 3.68Å; I51-L88 HydrophobicContact CG1-CD1 4.17Å; I51-L88 HydrophobicContact CG1-CD2 4.05Å; V54-L88 HydrophobicContact CG2-CD1 3.91Å; G84-L88 WeakPolarHBondContact O-CG 3.42Å; G84-L88 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 2.99Å; L88-R90 PolarHBondContact O-N 2.94Å; L88-T91 PolarHBondContact O-N 3.25Å; L88-I92 WeakPolarHBondContact O-CD1 3.25Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.44Å |
| 89 | K | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.6 | -49.8 | 176.9 | -171.3 | -80.8 | -62 | -175.4 | 0 | 111 | L85 L86 T91 I92 Q93 L178 L181 N182 L185 E191 | L85-K89 WeakPolarHBondContact O-CB 3.41Å; L85-K89 PolarHBondContact O-N 2.89Å; L86-K89 PolarHBondContact O-N 3.48Å; K89-T91 VanDerWaalsContact C-N 3.35Å; K89-T91 PolarHBondContact O-N 3.4Å; K89-I92 PolarHBondContact O-N 2.63Å; K89-Q93 WeakPolarHBondContact O-CB 3.31Å; K89-Q93 PolarHBondContact O-N 2.77Å; K89-L178 HydrophobicContact CD-CD1 4.22Å; K89-L178 HydrophobicContact CD-CG 4.45Å; K89-L178 HydrophobicContact CG-CD1 3.74Å; K89-L178 HydrophobicContact CG-CG 4.44Å; K89-L181 HydrophobicContact CB-CD2 3.8Å; K89-L181 HydrophobicContact CB-CG 4.34Å; K89-L181 HydrophobicContact CG-CB 4.46Å; K89-L181 HydrophobicContact CG-CD2 3.68Å; K89-L181 HydrophobicContact CG-CG 3.86Å; K89-N182 HydrophobicContact CD-CB 4.46Å; K89-N182 PolarHBondContact NZ-OD1 3.15Å; K89-L185 HydrophobicContact CB-CD1 3.84Å; K89-L185 HydrophobicContact CD-CD1 4.3Å; K89-L185 HydrophobicContact CG-CD1 3.79Å; K89-E191 WeakPolarHBondContact CE-OE2 3.32Å; K89-E191 IonicContact NZ-OE2 3.9Å; K89-E191 PolarHBondContact NZ-OE2 3.18Å |
| 90 | R | 97.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 18.2 Ų | 18.2 | 8% | 0.083 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 178.9 | -73 | 174.3 | 177 | 168.7 | -1.2 | 112.3 | L86 W87 L88 Q93 F94 L123 Y126 E191 | L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 3.4Å; W87-R90 PolarHBondContact O-N 2.99Å; L88-R90 PolarHBondContact O-N 2.94Å; R90-Q93 WeakPolarHBondContact O-CB 3.32Å; R90-Q93 PolarHBondContact O-N 3.03Å; R90-F94 PolarHBondContact O-N 2.98Å; R90-L123 HydrophobicContact CB-CD2 3.88Å; R90-Y126 HydrophobicContact CG-CD2 4.23Å; R90-Y126 HydrophobicContact CG-CE2 4.18Å; R90-Y126 VanDerWaalsContact CZ-CE1 3.48Å; R90-Y126 VanDerWaalsContact NH2-CD1 3.31Å; R90-E191 IonicContact CZ-OE1 2.76Å; R90-E191 IonicContact CZ-OE2 3.44Å; R90-E191 IonicContact NE-OE1 3.73Å; R90-E191 IonicContact NE-OE2 3.6Å; R90-E191 PolarHBondContact NE-OE2 3.38Å; R90-E191 IonicContact NH2-OE1 3.58Å; R90-E191 PolarHBondContact NH2-OE1 3.06Å; R90-E191 IonicContact NH2-OE2 2.84Å; R90-E191 PolarHBondContact NH2-OE2 2.91Å |
| 91 | T | 98.3 | Very high | 98.4 | Very high | 13 Ų | 13 | 17.4 Ų | 17.4 | 8% | 0.08 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | 176.7 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | I29 F33 V47 W87 L88 K89 Q93 F94 V95 | I29-T91 HydrophobicContact CG2-CG2 4.2Å; F33-T91 HydrophobicContact CE2-CG2 3.86Å; F33-T91 HydrophobicContact CZ-CG2 4.04Å; V47-T91 HydrophobicContact CG2-CG2 3.72Å; W87-T91 WeakPolarHBondContact O-CB 3.49Å; W87-T91 PolarHBondContact O-N 3.32Å; W87-T91 PolarHBondContact O-OG1 3.49Å; W87-T91 VanDerWaalsContact O-OG1 3.08Å; L88-T91 PolarHBondContact O-N 3.25Å; K89-T91 VanDerWaalsContact C-N 3.35Å; K89-T91 PolarHBondContact O-N 3.4Å; T91-Q93 VanDerWaalsContact C-N 3.31Å; T91-Q93 PolarHBondContact O-N 2.91Å; T91-F94 WeakPolarHBondContact O-CB 3.49Å; T91-F94 PolarHBondContact O-N 2.86Å; T91-V95 WeakPolarHBondContact O-CG2 3.45Å; T91-V95 PolarHBondContact O-N 2.69Å |
| 92 | I | 98.2 | Very high | 98.4 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60 | -44 | 173.5 | -66.3 | 157.3 | 0 | 0 | 0 | 109.6 | F22 L25 I29 L88 K89 F94 V95 I96 I174 L178 | F22-I92 HydrophobicContact CE2-CD1 3.68Å; F22-I92 HydrophobicContact CZ-CD1 3.67Å; L25-I92 HydrophobicContact CD2-CD1 4.35Å; L25-I92 HydrophobicContact CG-CD1 4.45Å; I29-I92 HydrophobicContact CD1-CG1 4.45Å; I29-I92 HydrophobicContact CG1-CG1 3.66Å; L88-I92 WeakPolarHBondContact O-CD1 3.25Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.44Å; K89-I92 PolarHBondContact O-N 2.63Å; I92-F94 VanDerWaalsContact C-N 3.33Å; I92-F94 PolarHBondContact O-N 3.02Å; I92-V95 PolarHBondContact O-N 3.36Å; I92-V95 VanDerWaalsContact O-N 3.14Å; I92-I96 HydrophobicContact CG2-CG1 4.01Å; I92-I96 WeakPolarHBondContact O-CB 3.32Å; I92-I96 VanDerWaalsContact O-CG1 3.25Å; I92-I96 WeakPolarHBondContact O-CG1 3.47Å; I92-I96 PolarHBondContact O-N 2.62Å; I92-I174 HydrophobicContact CG2-CG2 4.25Å; I92-L178 HydrophobicContact CB-CD1 4.1Å; I92-L178 HydrophobicContact CG2-CD1 3.83Å; I92-L178 HydrophobicContact CG2-CD2 4.12Å |
| 93 | Q | 97.6 | Very high | 98.4 | Very high | 58 Ų | 58 | 18 Ų | 18 | 27% | 0.271 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 178 | -167.6 | 173.7 | 4.9 | 0 | 0 | 112.4 | K89 R90 T91 I96 C97 T122 L178 | K89-Q93 WeakPolarHBondContact O-CB 3.31Å; K89-Q93 PolarHBondContact O-N 2.77Å; R90-Q93 WeakPolarHBondContact O-CB 3.32Å; R90-Q93 PolarHBondContact O-N 3.03Å; T91-Q93 VanDerWaalsContact C-N 3.31Å; T91-Q93 PolarHBondContact O-N 2.91Å; Q93-I96 PolarHBondContact O-N 3.29Å; Q93-C97 VanDerWaalsContact O-CB 3.25Å; Q93-C97 WeakPolarHBondContact O-CB 3.26Å; Q93-C97 PolarHBondContact O-N 3.17Å; Q93-T122 HydrophobicContact CG-CG2 4.16Å; Q93-L178 HydrophobicContact CB-CD2 3.73Å; Q93-L178 HydrophobicContact CG-CD2 4.09Å |
| 94 | F | 98.2 | Very high | 98.3 | Very high | 9 Ų | 9 | 20.6 Ų | 20.6 | 4% | 0.039 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 173.3 | 162.9 | -111.1 | 0 | 0 | 0 | 112.4 | R90 T91 I92 C97 F98 I115 A118 T122 L123 F135 | R90-F94 PolarHBondContact O-N 2.98Å; T91-F94 WeakPolarHBondContact O-CB 3.49Å; T91-F94 PolarHBondContact O-N 2.86Å; I92-F94 VanDerWaalsContact C-N 3.33Å; I92-F94 PolarHBondContact O-N 3.02Å; F94-C97 PolarHBondContact O-N 3.42Å; F94-F98 WeakPolarHBondContact O-CB 3.45Å; F94-F98 PolarHBondContact O-N 3.35Å; F94-I115 HydrophobicContact CE2-CG2 4.33Å; F94-I115 HydrophobicContact CZ-CG2 3.9Å; F94-A118 HydrophobicContact CD2-CB 4.09Å; F94-A118 HydrophobicContact CE2-CB 4.04Å; F94-T122 WeakPolarHBondContact CB-OG1 3.49Å; F94-L123 HydrophobicContact CB-CD1 3.55Å; F94-L123 HydrophobicContact CB-CG 3.85Å; F94-L123 HydrophobicContact CD1-CD1 3.82Å; F94-L123 HydrophobicContact CD2-CD1 4.12Å; F94-L123 HydrophobicContact CG-CD1 3.55Å; F94-L123 HydrophobicContact CG-CG 4.28Å; F94-F135 HydrophobicContact CE2-CE2 4.42Å; F94-F135 HydrophobicContact CE2-CZ 4.5Å; F94-F135 HydrophobicContact CZ-CE2 4.07Å; F94-F135 HydrophobicContact CZ-CZ 4.45Å |
| 95 | V | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 178.9 | 174 | 0 | 0 | 0 | 0 | 111.2 | I29 F32 F33 T91 I92 F98 L99 | I29-V95 HydrophobicContact CD1-CB 4.31Å; I29-V95 HydrophobicContact CD1-CG1 4.03Å; I29-V95 HydrophobicContact CG2-CG2 4.17Å; F32-V95 HydrophobicContact CD1-CG1 4.36Å; F32-V95 HydrophobicContact CD1-CG2 4.49Å; F32-V95 HydrophobicContact CE1-CG1 4.28Å; F32-V95 HydrophobicContact CE1-CG2 4.44Å; F32-V95 HydrophobicContact CZ-CG1 4.43Å; F33-V95 HydrophobicContact CE1-CG2 4.14Å; F33-V95 HydrophobicContact CZ-CG2 3.82Å; T91-V95 WeakPolarHBondContact O-CG2 3.45Å; T91-V95 PolarHBondContact O-N 2.69Å; I92-V95 PolarHBondContact O-N 3.36Å; I92-V95 VanDerWaalsContact O-N 3.14Å; V95-F98 PolarHBondContact O-N 3.16Å; V95-L99 HydrophobicContact CG1-CD1 3.84Å; V95-L99 HydrophobicContact CG1-CG 4.22Å; V95-L99 WeakPolarHBondContact O-CB 3.15Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.35Å; V95-L99 PolarHBondContact O-N 3.11Å |
| 96 | I | 98.1 | Very high | 98.2 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.046 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.7 | -68.1 | -70 | 0 | 0 | 0 | 110.9 | I92 Q93 F98 L99 H100 F170 V171 I174 | I92-I96 HydrophobicContact CG2-CG1 4.01Å; I92-I96 WeakPolarHBondContact O-CB 3.32Å; I92-I96 VanDerWaalsContact O-CG1 3.25Å; I92-I96 WeakPolarHBondContact O-CG1 3.47Å; I92-I96 PolarHBondContact O-N 2.62Å; Q93-I96 PolarHBondContact O-N 3.29Å; I96-F98 PolarHBondContact O-N 3.38Å; I96-L99 PolarHBondContact O-N 2.73Å; I96-H100 WeakPolarHBondContact O-CB 3.25Å; I96-H100 PolarHBondContact O-N 3.03Å; I96-F170 HydrophobicContact CD1-CD1 3.7Å; I96-F170 HydrophobicContact CD1-CE1 3.36Å; I96-F170 HydrophobicContact CD1-CZ 4.2Å; I96-V171 HydrophobicContact CD1-CG2 4.46Å; I96-V171 HydrophobicContact CG2-CB 4.42Å; I96-V171 HydrophobicContact CG2-CG1 3.99Å; I96-V171 HydrophobicContact CG2-CG2 4.23Å; I96-I174 HydrophobicContact CD1-CB 3.81Å; I96-I174 HydrophobicContact CD1-CG1 4.46Å; I96-I174 HydrophobicContact CD1-CG2 3.85Å; I96-I174 HydrophobicContact CG1-CG2 4.22Å |
| 97 | C | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 13% | 0.128 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | Q93 F94 H100 H101 A118 E121 T122 | Q93-C97 VanDerWaalsContact O-CB 3.25Å; Q93-C97 WeakPolarHBondContact O-CB 3.26Å; Q93-C97 PolarHBondContact O-N 3.17Å; F94-C97 PolarHBondContact O-N 3.42Å; C97-H100 WeakPolarHBondContact O-CB 3.49Å; C97-H100 PolarHBondContact O-N 3.29Å; C97-H101 PolarHBondContact O-CD2 3.33Å; C97-H101 PolarHBondContact O-N 2.84Å; C97-A118 HydrophobicContact CB-CB 4.15Å; C97-E121 PolarHBondContact SG-OE2 3.32Å; C97-T122 HydrophobicContact CB-CG2 3.85Å |
| 98 | F | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 173.4 | 160.5 | -105.7 | 0 | 0 | 0 | 111.7 | F32 F94 V95 I96 H100 H101 F102 V111 I114 I115 A118 F148 | F32-F98 HydrophobicContact CE2-CE1 4.44Å; F32-F98 HydrophobicContact CZ-CD1 4.1Å; F32-F98 AromaticContact CZ-CE1 3.83Å; F32-F98 HydrophobicContact CZ-CE1 3.83Å; F94-F98 WeakPolarHBondContact O-CB 3.45Å; F94-F98 PolarHBondContact O-N 3.35Å; V95-F98 PolarHBondContact O-N 3.16Å; I96-F98 PolarHBondContact O-N 3.38Å; F98-H100 VanDerWaalsContact C-N 3.31Å; F98-H100 PolarHBondContact O-N 3.31Å; F98-H101 PolarHBondContact O-N 3.18Å; F98-F102 HydrophobicContact CD2-CB 4.43Å; F98-F102 HydrophobicContact CE1-CB 4.44Å; F98-F102 HydrophobicContact CE2-CB 3.92Å; F98-F102 HydrophobicContact CE2-CD2 4.28Å; F98-F102 HydrophobicContact CE2-CG 4.15Å; F98-F102 HydrophobicContact CZ-CB 3.92Å; F98-F102 HydrophobicContact CZ-CD1 4.2Å; F98-F102 HydrophobicContact CZ-CD2 4.19Å; F98-F102 AromaticContact CZ-CG 3.84Å; F98-F102 HydrophobicContact CZ-CG 3.84Å; F98-F102 WeakPolarHBondContact O-CB 3.45Å; F98-F102 PolarHBondContact O-N 3.25Å; F98-V111 HydrophobicContact CE2-CG1 3.98Å; F98-V111 HydrophobicContact CZ-CG1 4.07Å; F98-I114 HydrophobicContact CD2-CB 4.42Å; F98-I114 HydrophobicContact CD2-CG2 3.81Å; F98-I114 HydrophobicContact CE2-CB 4.33Å; F98-I114 HydrophobicContact CE2-CG2 3.97Å; F98-I115 HydrophobicContact CD2-CB 4.31Å; F98-I115 HydrophobicContact CD2-CD1 4.48Å; F98-I115 HydrophobicContact CD2-CG1 3.38Å; F98-I115 HydrophobicContact CE2-CD1 4.19Å; F98-I115 HydrophobicContact CE2-CG1 3.44Å; F98-I115 VanDerWaalsContact CE2-CG1 3.44Å; F98-I115 HydrophobicContact CG-CG1 4.11Å; F98-I115 HydrophobicContact CZ-CG1 4.2Å; F98-A118 HydrophobicContact CB-CB 3.78Å; F98-F148 AromaticContact CE1-CE1 3.65Å; F98-F148 HydrophobicContact CE1-CE1 3.65Å; F98-F148 AromaticContact CE1-CZ 3.53Å; F98-F148 HydrophobicContact CE1-CZ 3.53Å; F98-F148 HydrophobicContact CZ-CD1 4.39Å; F98-F148 AromaticContact CZ-CE1 3.48Å; F98-F148 HydrophobicContact CZ-CE1 3.48Å; F98-F148 VanDerWaalsContact CZ-CE1 3.48Å; F98-F148 HydrophobicContact CZ-CE2 4.29Å; F98-F148 AromaticContact CZ-CZ 3.43Å; F98-F148 HydrophobicContact CZ-CZ 3.43Å; F98-F148 VanDerWaalsContact CZ-CZ 3.43Å |
| 99 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -34.5 | -178.3 | -71.5 | 175 | 0 | 0 | 0 | 112.3 | F5 F32 V95 I96 F102 A103 A167 F170 V171 | F5-L99 HydrophobicContact CE1-CD1 3.69Å; F5-L99 HydrophobicContact CE1-CD2 4.21Å; F5-L99 HydrophobicContact CZ-CD1 4.07Å; F5-L99 HydrophobicContact CZ-CD2 3.7Å; F32-L99 HydrophobicContact CE2-CD2 4.23Å; V95-L99 HydrophobicContact CG1-CD1 3.84Å; V95-L99 HydrophobicContact CG1-CG 4.22Å; V95-L99 WeakPolarHBondContact O-CB 3.15Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.35Å; V95-L99 PolarHBondContact O-N 3.11Å; I96-L99 PolarHBondContact O-N 2.73Å; L99-F102 PolarHBondContact O-N 2.85Å; L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.24Å; L99-A103 PolarHBondContact O-N 3.29Å; L99-A167 HydrophobicContact CD2-CB 4.23Å; L99-F170 HydrophobicContact CD1-CD1 3.6Å; L99-F170 HydrophobicContact CD1-CE1 3.8Å; L99-V171 HydrophobicContact CB-CG2 3.66Å |
| 100 | H | 98.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 33% | 0.333 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59 | -55.7 | 173.6 | 177.4 | 86.7 | 0 | 0 | 0 | 111 | I96 C97 F98 F102 A103 Q104 V171 | I96-H100 WeakPolarHBondContact O-CB 3.25Å; I96-H100 PolarHBondContact O-N 3.03Å; C97-H100 WeakPolarHBondContact O-CB 3.49Å; C97-H100 PolarHBondContact O-N 3.29Å; F98-H100 VanDerWaalsContact C-N 3.31Å; F98-H100 PolarHBondContact O-N 3.31Å; H100-F102 VanDerWaalsContact C-N 3.31Å; H100-F102 PolarHBondContact O-N 3.42Å; H100-A103 PolarHBondContact O-N 3.05Å; H100-Q104 PolarHBondContact CE1-NE2 3.4Å; H100-Q104 PolarHBondContact NE2-NE2 3.47Å; H100-Q104 WeakPolarHBondContact O-CG 3.48Å; H100-Q104 PolarHBondContact O-N 3.23Å; H100-V171 HydrophobicContact CB-CG1 4.12Å; H100-V171 HydrophobicContact CB-CG2 4.32Å |
| 101 | H | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 11% | 0.111 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 178.3 | -67.5 | -56.9 | 0 | 0 | 0 | 111.5 | C97 F98 Q104 S105 I114 R117 E121 | C97-H101 PolarHBondContact O-CD2 3.33Å; C97-H101 PolarHBondContact O-N 2.84Å; F98-H101 PolarHBondContact O-N 3.18Å; H101-Q104 PolarHBondContact O-N 3.45Å; H101-S105 WeakPolarHBondContact O-CB 3.36Å; H101-S105 PolarHBondContact O-N 2.91Å; H101-I114 HydrophobicContact CB-CG2 3.55Å; H101-R117 PolarHBondContact CE1-NE 3.17Å; H101-R117 PolarHBondContact CE1-NH2 3.43Å; H101-E121 IonicContact CD2-OE2 2.77Å; H101-E121 IonicContact CE1-OE1 3.2Å; H101-E121 IonicContact CE1-OE2 3.56Å; H101-E121 IonicContact NE2-OE1 3.46Å; H101-E121 PolarHBondContact NE2-OE1 3.09Å; H101-E121 IonicContact NE2-OE2 2.72Å; H101-E121 PolarHBondContact NE2-OE2 3Å |
| 102 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | -179.9 | -173.8 | -119.1 | 0 | 0 | 0 | 112.2 | F98 L99 H100 Q104 S105 V111 I114 R145 F148 I149 L152 L164 | F98-F102 HydrophobicContact CD2-CB 4.43Å; F98-F102 HydrophobicContact CE1-CB 4.44Å; F98-F102 HydrophobicContact CE2-CB 3.92Å; F98-F102 HydrophobicContact CE2-CD2 4.28Å; F98-F102 HydrophobicContact CE2-CG 4.15Å; F98-F102 HydrophobicContact CZ-CB 3.92Å; F98-F102 HydrophobicContact CZ-CD1 4.2Å; F98-F102 HydrophobicContact CZ-CD2 4.19Å; F98-F102 AromaticContact CZ-CG 3.84Å; F98-F102 HydrophobicContact CZ-CG 3.84Å; F98-F102 WeakPolarHBondContact O-CB 3.45Å; F98-F102 PolarHBondContact O-N 3.25Å; L99-F102 PolarHBondContact O-N 2.85Å; H100-F102 VanDerWaalsContact C-N 3.31Å; H100-F102 PolarHBondContact O-N 3.42Å; F102-Q104 PolarHBondContact O-N 3.23Å; F102-S105 WeakPolarHBondContact O-CB 3.47Å; F102-S105 PolarHBondContact O-N 3.19Å; F102-S105 VanDerWaalsContact O-N 3.16Å; F102-S105 PolarHBondContact O-OG 2.87Å; F102-V111 HydrophobicContact CE2-CG2 3.9Å; F102-I114 HydrophobicContact CB-CG2 4.28Å; F102-I114 HydrophobicContact CD2-CD1 3.92Å; F102-R145 HydrophobicContact CE2-CG 4.36Å; F102-F148 AromaticContact CE1-CD1 3.9Å; F102-F148 HydrophobicContact CE1-CD1 3.9Å; F102-F148 HydrophobicContact CE1-CE1 4.23Å; F102-F148 AromaticContact CZ-CD1 3.82Å; F102-F148 HydrophobicContact CZ-CD1 3.82Å; F102-F148 HydrophobicContact CZ-CE1 4.49Å; F102-I149 HydrophobicContact CE1-CD1 3.57Å; F102-I149 HydrophobicContact CE1-CG1 4.5Å; F102-I149 HydrophobicContact CZ-CD1 3.47Å; F102-I149 VanDerWaalsContact CZ-CD1 3.47Å; F102-I149 HydrophobicContact CZ-CG1 3.97Å; F102-L152 HydrophobicContact CE1-CD1 4.05Å; F102-L164 HydrophobicContact CD1-CD2 3.97Å; F102-L164 HydrophobicContact CE1-CD2 3.86Å; F102-L164 HydrophobicContact CZ-CD2 4.31Å; F102-L164 WeakPolarHBondContact O-CD2 3.33Å |
| 103 | A | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -31.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L99 H100 L164 A167 E168 | L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.24Å; L99-A103 PolarHBondContact O-N 3.29Å; H100-A103 PolarHBondContact O-N 3.05Å; A103-L164 WeakPolarHBondContact CB-O 3.3Å; A103-A167 HydrophobicContact CB-CB 4.45Å; A103-E168 HydrophobicContact CB-CB 3.92Å |
| 104 | Q | 97.7 | Very high | 97.7 | Very high | 115 Ų | 115 | 50.2 Ų | 50.2 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -93.3 | -8.3 | -179.8 | -62.4 | 175.5 | 0.7 | 0 | 0 | 113.8 | H100 H101 F102 | H100-Q104 PolarHBondContact CE1-NE2 3.4Å; H100-Q104 PolarHBondContact NE2-NE2 3.47Å; H100-Q104 WeakPolarHBondContact O-CG 3.48Å; H100-Q104 PolarHBondContact O-N 3.23Å; H101-Q104 PolarHBondContact O-N 3.45Å; F102-Q104 PolarHBondContact O-N 3.23Å |
| 105 | S | 97.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 50 Ų | 50 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | trans | -72.6 | 147.1 | -172.7 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | H101 F102 I114 R145 | H101-S105 WeakPolarHBondContact O-CB 3.36Å; H101-S105 PolarHBondContact O-N 2.91Å; F102-S105 WeakPolarHBondContact O-CB 3.47Å; F102-S105 PolarHBondContact O-N 3.19Å; F102-S105 VanDerWaalsContact O-N 3.16Å; F102-S105 PolarHBondContact O-OG 2.87Å; S105-I114 VanDerWaalsContact CB-CD1 3.45Å; S105-R145 PolarHBondContact OG-NH1 2.78Å | ||
| 106 | K | 95.6 | Very high | 97.8 | Very high | 145 Ų | 145 | 51 Ų | 51 | 63% | 0.63 | 25% | 0.254 | S | S | * | . | trans | -75.2 | 156.4 | 173.4 | -61.7 | 176.1 | -176.9 | 175 | 0 | 111.2 | N108 E109 | K106-N108 VanDerWaalsContact CB-OD1 3.26Å; K106-N108 WeakPolarHBondContact CB-OD1 3.4Å; K106-N108 PolarHBondContact O-N 3.03Å; K106-N108 VanDerWaalsContact O-N 3.08Å; K106-E109 HydrophobicContact CB-CG 4.3Å; K106-E109 PolarHBondContact N-OE1 3.17Å; K106-E109 PolarHBondContact O-N 3.44Å | ||
| 107 | N | 93 | Very high | 97.8 | Very high | 122 Ų | 122 | 57 Ų | 57 | 65% | 0.652 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.5 | -177.1 | -65.6 | 1.7 | 0 | 0 | 0 | 114.2 | E160 | N107-E160 PolarHBondContact OD1-OE1 3.03Š|
| 108 | N | 94.6 | Very high | 97.8 | Very high | 133 Ų | 133 | 56.1 Ų | 56.1 | 71% | 0.711 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.8 | 179.1 | 67 | -34.3 | 0 | 0 | 0 | 114 | K106 | K106-N108 VanDerWaalsContact CB-OD1 3.26Å; K106-N108 WeakPolarHBondContact CB-OD1 3.4Å; K106-N108 PolarHBondContact O-N 3.03Å; K106-N108 VanDerWaalsContact O-N 3.08Å |
| 109 | E | 97.6 | Very high | 97.8 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -77.1 | 140 | 178.3 | -67.5 | -178.7 | -107.8 | 0 | 0 | 111.5 | K106 I114 | K106-E109 HydrophobicContact CB-CG 4.3Å; K106-E109 PolarHBondContact N-OE1 3.17Å; K106-E109 PolarHBondContact O-N 3.44Å; E109-I114 HydrophobicContact CB-CD1 4.26Å |
| 110 | L | 98.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | trans | -84.7 | 129.8 | -178.8 | -58.6 | 178.2 | 0 | 0 | 0 | 110.4 | R112 D113 I114 | L110-R112 HydrophobicContact CB-CG 4.2Å; L110-R112 PolarHBondContact O-N 2.98Å; L110-R112 VanDerWaalsContact O-N 3.14Å; L110-D113 HydrophobicContact CB-CB 4.42Å; L110-D113 PolarHBondContact O-N 3.36Å; L110-I114 PolarHBondContact O-N 3.08Å | ||
| 111 | V | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53 | -39.3 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | F98 F102 D113 I114 I115 V142 R145 F148 | F98-V111 HydrophobicContact CE2-CG1 3.98Å; F98-V111 HydrophobicContact CZ-CG1 4.07Å; F102-V111 HydrophobicContact CE2-CG2 3.9Å; V111-D113 VanDerWaalsContact C-N 3.27Å; V111-D113 PolarHBondContact O-N 3.31Å; V111-I114 PolarHBondContact O-N 3.43Å; V111-I115 HydrophobicContact CG1-CD1 3.83Å; V111-I115 HydrophobicContact CG1-CG1 4.27Å; V111-I115 WeakPolarHBondContact O-CB 3.5Å; V111-I115 WeakPolarHBondContact O-CG1 3.37Å; V111-I115 PolarHBondContact O-N 3.03Å; V111-V142 HydrophobicContact CB-CG1 3.99Å; V111-V142 HydrophobicContact CG1-CG1 3.78Å; V111-R145 HydrophobicContact CG2-CB 3.95Å; V111-R145 HydrophobicContact CG2-CG 4.44Å; V111-F148 HydrophobicContact CG1-CD1 4.48Å; V111-F148 HydrophobicContact CG1-CD2 3.64Å; V111-F148 HydrophobicContact CG1-CE2 3.81Å; V111-F148 HydrophobicContact CG1-CG 4.01Å; V111-F148 HydrophobicContact CG1-CZ 4.31Å; V111-F148 HydrophobicContact CG2-CB 4.08Å; V111-F148 HydrophobicContact CG2-CG 4.29Å |
| 112 | R | 98.1 | Very high | 97.6 | Very high | 119 Ų | 119 | 62.2 Ų | 62.2 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -34.5 | 179 | 79.1 | -173.4 | -179.6 | -178.6 | -4.8 | 112.6 | L110 A116 V142 | L110-R112 HydrophobicContact CB-CG 4.2Å; L110-R112 PolarHBondContact O-N 2.98Å; L110-R112 VanDerWaalsContact O-N 3.14Å; R112-A116 WeakPolarHBondContact O-CB 3.5Å; R112-A116 PolarHBondContact O-N 2.84Å; R112-V142 HydrophobicContact CB-CB 4.01Å; R112-V142 HydrophobicContact CB-CG1 4.06Å; R112-V142 HydrophobicContact CB-CG2 4.42Å |
| 113 | D | 98.7 | Very high | 97.4 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -76.1 | -36.6 | -177.8 | -58.9 | -11.5 | 0 | 0 | 0 | 109.3 | L110 V111 A116 R117 | L110-D113 HydrophobicContact CB-CB 4.42Å; L110-D113 PolarHBondContact O-N 3.36Å; V111-D113 VanDerWaalsContact C-N 3.27Å; V111-D113 PolarHBondContact O-N 3.31Å; D113-A116 PolarHBondContact O-N 3.39Å; D113-R117 WeakPolarHBondContact O-CB 3.26Å; D113-R117 PolarHBondContact O-N 3.47Å |
| 114 | I | 98.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 172.7 | -56.8 | 169.9 | 0 | 0 | 0 | 110.9 | F98 H101 F102 S105 E109 L110 V111 R117 A118 | F98-I114 HydrophobicContact CD2-CB 4.42Å; F98-I114 HydrophobicContact CD2-CG2 3.81Å; F98-I114 HydrophobicContact CE2-CB 4.33Å; F98-I114 HydrophobicContact CE2-CG2 3.97Å; H101-I114 HydrophobicContact CB-CG2 3.55Å; F102-I114 HydrophobicContact CB-CG2 4.28Å; F102-I114 HydrophobicContact CD2-CD1 3.92Å; S105-I114 VanDerWaalsContact CB-CD1 3.45Å; E109-I114 HydrophobicContact CB-CD1 4.26Å; L110-I114 PolarHBondContact O-N 3.08Å; V111-I114 PolarHBondContact O-N 3.43Å; I114-R117 PolarHBondContact O-N 2.95Å; I114-A118 PolarHBondContact O-N 3.5Å |
| 115 | I | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.3 | -73.2 | 173.7 | 0 | 0 | 0 | 111 | F94 F98 V111 A118 Y119 F135 F138 L139 V142 | F94-I115 HydrophobicContact CE2-CG2 4.33Å; F94-I115 HydrophobicContact CZ-CG2 3.9Å; F98-I115 HydrophobicContact CD2-CB 4.31Å; F98-I115 HydrophobicContact CD2-CD1 4.48Å; F98-I115 HydrophobicContact CD2-CG1 3.38Å; F98-I115 HydrophobicContact CE2-CD1 4.19Å; F98-I115 HydrophobicContact CE2-CG1 3.44Å; F98-I115 VanDerWaalsContact CE2-CG1 3.44Å; F98-I115 HydrophobicContact CG-CG1 4.11Å; F98-I115 HydrophobicContact CZ-CG1 4.2Å; V111-I115 HydrophobicContact CG1-CD1 3.83Å; V111-I115 HydrophobicContact CG1-CG1 4.27Å; V111-I115 WeakPolarHBondContact O-CB 3.5Å; V111-I115 WeakPolarHBondContact O-CG1 3.37Å; V111-I115 PolarHBondContact O-N 3.03Å; I115-A118 PolarHBondContact O-N 3.42Å; I115-Y119 WeakPolarHBondContact O-CB 3.34Å; I115-Y119 PolarHBondContact O-N 3.22Å; I115-F135 HydrophobicContact CG2-CE2 4.17Å; I115-F135 HydrophobicContact CG2-CZ 3.68Å; I115-F138 HydrophobicContact CG2-CE1 4.09Å; I115-L139 HydrophobicContact CB-CD2 4.32Å; I115-L139 HydrophobicContact CG2-CD2 3.79Å; I115-V142 HydrophobicContact CD1-CG1 3.79Å; I115-V142 HydrophobicContact CD1-CG2 3.89Å |
| 116 | A | 98.7 | Very high | 97.1 | Very high | 22 Ų | 22 | 65.1 Ų | 65.1 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R112 D113 A118 Y119 D120 L139 | R112-A116 WeakPolarHBondContact O-CB 3.5Å; R112-A116 PolarHBondContact O-N 2.84Å; D113-A116 PolarHBondContact O-N 3.39Å; A116-A118 PolarHBondContact O-N 3.14Å; A116-Y119 WeakPolarHBondContact O-CB 3.44Å; A116-Y119 PolarHBondContact O-N 3.3Å; A116-D120 PolarHBondContact O-N 3.34Å; A116-L139 HydrophobicContact CB-CD1 3.89Å; A116-L139 HydrophobicContact CB-CD2 4.2Å |
| 117 | R | 98.6 | Very high | 97.1 | Very high | 135 Ų | 135 | 59.6 Ų | 59.6 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.1 | -51.2 | 174.6 | 178.9 | 179 | 179.4 | 178.6 | -0.5 | 112.1 | H101 D113 I114 Y119 D120 E121 | H101-R117 PolarHBondContact CE1-NE 3.17Å; H101-R117 PolarHBondContact CE1-NH2 3.43Å; D113-R117 WeakPolarHBondContact O-CB 3.26Å; D113-R117 PolarHBondContact O-N 3.47Å; I114-R117 PolarHBondContact O-N 2.95Å; R117-Y119 PolarHBondContact O-N 2.99Å; R117-D120 PolarHBondContact O-N 3.49Å; R117-E121 VanDerWaalsContact CG-OE1 3.27Å; R117-E121 WeakPolarHBondContact CG-OE1 3.36Å; R117-E121 IonicContact CZ-OE1 2.66Å; R117-E121 IonicContact NE-OE1 2.74Å; R117-E121 PolarHBondContact NE-OE1 3.33Å; R117-E121 IonicContact NH2-OE1 2.75Å; R117-E121 WeakPolarHBondContact O-CG 3.44Å; R117-E121 PolarHBondContact O-N 3.3Å |
| 118 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F94 C97 F98 I114 I115 A116 T122 | F94-A118 HydrophobicContact CD2-CB 4.09Å; F94-A118 HydrophobicContact CE2-CB 4.04Å; C97-A118 HydrophobicContact CB-CB 4.15Å; F98-A118 HydrophobicContact CB-CB 3.78Å; I114-A118 PolarHBondContact O-N 3.5Å; I115-A118 PolarHBondContact O-N 3.42Å; A116-A118 PolarHBondContact O-N 3.14Å; A118-T122 WeakPolarHBondContact O-CB 3.37Å; A118-T122 PolarHBondContact O-N 3.47Å; A118-T122 PolarHBondContact O-OG1 3.04Å |
| 119 | Y | 98.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 176.5 | 178 | -99.1 | 0 | 0 | 0 | 112.8 | I115 A116 R117 E121 T122 L123 T124 H127 R132 F135 | I115-Y119 WeakPolarHBondContact O-CB 3.34Å; I115-Y119 PolarHBondContact O-N 3.22Å; A116-Y119 WeakPolarHBondContact O-CB 3.44Å; A116-Y119 PolarHBondContact O-N 3.3Å; R117-Y119 PolarHBondContact O-N 2.99Å; Y119-E121 VanDerWaalsContact C-N 3.32Å; Y119-T122 PolarHBondContact O-N 2.93Å; Y119-L123 HydrophobicContact CD2-CB 3.74Å; Y119-L123 HydrophobicContact CD2-CD1 4.23Å; Y119-L123 HydrophobicContact CE2-CB 3.69Å; Y119-L123 HydrophobicContact CE2-CD1 4.44Å; Y119-L123 PolarHBondContact O-N 3.42Å; Y119-L123 VanDerWaalsContact O-N 3.11Å; Y119-T124 VanDerWaalsContact C-OG1 3.29Å; Y119-T124 WeakPolarHBondContact CD1-OG1 3.49Å; Y119-T124 HydrophobicContact CE1-CG2 4.34Å; Y119-T124 WeakPolarHBondContact CE1-OG1 3.42Å; Y119-T124 WeakPolarHBondContact O-CB 3.46Å; Y119-T124 PolarHBondContact O-N 2.93Å; Y119-T124 PolarHBondContact O-OG1 3.43Å; Y119-H127 AromaticContact CE2-CE1 3.76Å; Y119-H127 AromaticContact CE2-ND1 3.33Å; Y119-H127 VanDerWaalsContact CE2-ND1 3.33Å; Y119-H127 WeakPolarHBondContact CE2-ND1 3.38Å; Y119-H127 AromaticContact CZ-ND1 3.57Å; Y119-H127 WeakPolarHBondContact OH-CB 3.34Å; Y119-H127 PolarHBondContact OH-ND1 2.72Å; Y119-R132 WeakPolarHBondContact OH-CA 3.41Å; Y119-R132 WeakPolarHBondContact OH-CG 3.42Å; Y119-F135 VanDerWaalsContact CB-CE1 3.43Å; Y119-F135 AromaticContact CD1-CD1 3.38Å; Y119-F135 HydrophobicContact CD1-CD1 3.38Å; Y119-F135 AromaticContact CD1-CE1 3.35Å; Y119-F135 HydrophobicContact CD1-CE1 3.35Å; Y119-F135 HydrophobicContact CD1-CE2 4.48Å; Y119-F135 AromaticContact CD1-CG 4Å; Y119-F135 HydrophobicContact CD1-CG 4Å; Y119-F135 AromaticContact CD1-CZ 3.94Å; Y119-F135 HydrophobicContact CD1-CZ 3.94Å; Y119-F135 AromaticContact CD2-CD1 3.83Å; Y119-F135 HydrophobicContact CD2-CD1 3.83Å; Y119-F135 AromaticContact CD2-CD2 3.41Å; Y119-F135 HydrophobicContact CD2-CD2 3.41Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.41Å; Y119-F135 AromaticContact CD2-CE1 3.76Å; Y119-F135 HydrophobicContact CD2-CE1 3.76Å; Y119-F135 AromaticContact CD2-CE2 3.34Å; Y119-F135 HydrophobicContact CD2-CE2 3.34Å; Y119-F135 AromaticContact CD2-CG 3.66Å; Y119-F135 HydrophobicContact CD2-CG 3.66Å; Y119-F135 AromaticContact CD2-CZ 3.53Å; Y119-F135 HydrophobicContact CD2-CZ 3.53Å; Y119-F135 HydrophobicContact CE1-CB 4.24Å; Y119-F135 AromaticContact CE1-CD1 3.52Å; Y119-F135 HydrophobicContact CE1-CD1 3.52Å; Y119-F135 HydrophobicContact CE1-CE1 4.01Å; Y119-F135 AromaticContact CE1-CG 3.85Å; Y119-F135 HydrophobicContact CE1-CG 3.85Å; Y119-F135 HydrophobicContact CE2-CB 3.96Å; Y119-F135 AromaticContact CE2-CD1 3.95Å; Y119-F135 HydrophobicContact CE2-CD1 3.95Å; Y119-F135 AromaticContact CE2-CD2 3.51Å; Y119-F135 HydrophobicContact CE2-CD2 3.51Å; Y119-F135 HydrophobicContact CE2-CE1 4.36Å; Y119-F135 AromaticContact CE2-CE2 3.96Å; Y119-F135 HydrophobicContact CE2-CE2 3.96Å; Y119-F135 AromaticContact CE2-CG 3.49Å; Y119-F135 HydrophobicContact CE2-CG 3.49Å; Y119-F135 VanDerWaalsContact CE2-CG 3.49Å; Y119-F135 HydrophobicContact CE2-CZ 4.37Å; Y119-F135 AromaticContact CG-CD1 3.55Å; Y119-F135 HydrophobicContact CG-CD1 3.55Å; Y119-F135 AromaticContact CG-CD2 3.96Å; Y119-F135 HydrophobicContact CG-CD2 3.96Å; Y119-F135 AromaticContact CG-CE1 3.21Å; Y119-F135 HydrophobicContact CG-CE1 3.21Å; Y119-F135 AromaticContact CG-CE2 3.65Å; Y119-F135 HydrophobicContact CG-CE2 3.65Å; Y119-F135 AromaticContact CG-CG 3.91Å; Y119-F135 HydrophobicContact CG-CG 3.91Å; Y119-F135 AromaticContact CG-CZ 3.28Å; Y119-F135 HydrophobicContact CG-CZ 3.28Å; Y119-F135 AromaticContact CZ-CD1 3.81Å; Y119-F135 AromaticContact CZ-CG 3.61Å |
| 120 | D | 98 | Very high | 97.3 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 176 | -71.2 | -20.4 | 0 | 0 | 0 | 111.4 | A116 R117 T122 T124 | A116-D120 PolarHBondContact O-N 3.34Å; R117-D120 PolarHBondContact O-N 3.49Å; D120-T122 VanDerWaalsContact C-N 3.32Å; D120-T122 PolarHBondContact O-N 3.45Å; D120-T124 WeakPolarHBondContact CA-OG1 3.49Å; D120-T124 PolarHBondContact OD1-OG1 3.38Å |
| 121 | E | 97.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.4 | -20.1 | 177.5 | -69.5 | 175.8 | -162.4 | 0 | 0 | 113.8 | C97 H101 R117 Y119 | C97-E121 PolarHBondContact SG-OE2 3.32Å; H101-E121 IonicContact CD2-OE2 2.77Å; H101-E121 IonicContact CE1-OE1 3.2Å; H101-E121 IonicContact CE1-OE2 3.56Å; H101-E121 IonicContact NE2-OE1 3.46Å; H101-E121 PolarHBondContact NE2-OE1 3.09Å; H101-E121 IonicContact NE2-OE2 2.72Å; H101-E121 PolarHBondContact NE2-OE2 3Å; R117-E121 VanDerWaalsContact CG-OE1 3.27Å; R117-E121 WeakPolarHBondContact CG-OE1 3.36Å; R117-E121 IonicContact CZ-OE1 2.66Å; R117-E121 IonicContact NE-OE1 2.74Å; R117-E121 PolarHBondContact NE-OE1 3.33Å; R117-E121 IonicContact NH2-OE1 2.75Å; R117-E121 WeakPolarHBondContact O-CG 3.44Å; R117-E121 PolarHBondContact O-N 3.3Å; Y119-E121 VanDerWaalsContact C-N 3.32Å |
| 122 | T | 96.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -78.3 | -170.8 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | Q93 F94 C97 A118 Y119 D120 K125 | Q93-T122 HydrophobicContact CG-CG2 4.16Å; F94-T122 WeakPolarHBondContact CB-OG1 3.49Å; C97-T122 HydrophobicContact CB-CG2 3.85Å; A118-T122 WeakPolarHBondContact O-CB 3.37Å; A118-T122 PolarHBondContact O-N 3.47Å; A118-T122 PolarHBondContact O-OG1 3.04Å; Y119-T122 PolarHBondContact O-N 2.93Å; D120-T122 VanDerWaalsContact C-N 3.32Å; D120-T122 PolarHBondContact O-N 3.45Å; T122-K125 WeakPolarHBondContact O-CG 3.41Å |
| 123 | L | 96 | Very high | 97.1 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -77.4 | -23.8 | -167.2 | -76.4 | 169.8 | 0 | 0 | 0 | 114.2 | R90 F94 Y119 K125 Y126 H127 | R90-L123 HydrophobicContact CB-CD2 3.88Å; F94-L123 HydrophobicContact CB-CD1 3.55Å; F94-L123 HydrophobicContact CB-CG 3.85Å; F94-L123 HydrophobicContact CD1-CD1 3.82Å; F94-L123 HydrophobicContact CD2-CD1 4.12Å; F94-L123 HydrophobicContact CG-CD1 3.55Å; F94-L123 HydrophobicContact CG-CG 4.28Å; Y119-L123 HydrophobicContact CD2-CB 3.74Å; Y119-L123 HydrophobicContact CD2-CD1 4.23Å; Y119-L123 HydrophobicContact CE2-CB 3.69Å; Y119-L123 HydrophobicContact CE2-CD1 4.44Å; Y119-L123 PolarHBondContact O-N 3.42Å; Y119-L123 VanDerWaalsContact O-N 3.11Å; L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 2.88Å; L123-K125 VanDerWaalsContact O-N 3.16Å; L123-Y126 PolarHBondContact O-N 3.42Å; L123-H127 PolarHBondContact O-N 3.41Å |
| 124 | T | 96.1 | Very high | 97 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 20% | 0.202 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -56.9 | -37.5 | -170.3 | -64.9 | 0 | 0 | 0 | 0 | 113.7 | Y119 D120 Y126 | Y119-T124 VanDerWaalsContact C-OG1 3.29Å; Y119-T124 WeakPolarHBondContact CD1-OG1 3.49Å; Y119-T124 HydrophobicContact CE1-CG2 4.34Å; Y119-T124 WeakPolarHBondContact CE1-OG1 3.42Å; Y119-T124 WeakPolarHBondContact O-CB 3.46Å; Y119-T124 PolarHBondContact O-N 2.93Å; Y119-T124 PolarHBondContact O-OG1 3.43Å; D120-T124 WeakPolarHBondContact CA-OG1 3.49Å; D120-T124 PolarHBondContact OD1-OG1 3.38Å; T124-Y126 VanDerWaalsContact C-N 3.3Å; T124-Y126 PolarHBondContact O-N 2.91Å |
| 125 | K | 94.7 | Very high | 96.8 | Very high | 122 Ų | 122 | 65.4 Ų | 65.4 | 53% | 0.53 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -66.3 | -28.4 | 178.6 | 55 | 168.8 | 164.7 | 162.2 | 0 | 113.6 | T122 L123 | T122-K125 WeakPolarHBondContact O-CG 3.41Å; L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 2.88Å; L123-K125 VanDerWaalsContact O-N 3.16Å |
| 126 | Y | 95.4 | Very high | 96.7 | Very high | 38 Ų | 38 | 71.6 Ų | 71.6 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -24.6 | -177.2 | -53 | -62.3 | 0 | 0 | 0 | 113.2 | R90 L123 T124 N128 E191 | R90-Y126 HydrophobicContact CG-CD2 4.23Å; R90-Y126 HydrophobicContact CG-CE2 4.18Å; R90-Y126 VanDerWaalsContact CZ-CE1 3.48Å; R90-Y126 VanDerWaalsContact NH2-CD1 3.31Å; L123-Y126 PolarHBondContact O-N 3.42Å; T124-Y126 VanDerWaalsContact C-N 3.3Å; T124-Y126 PolarHBondContact O-N 2.91Å; Y126-N128 PolarHBondContact O-N 3.49Å; Y126-E191 VanDerWaalsContact CE1-OE1 3.32Å; Y126-E191 WeakPolarHBondContact CE1-OE1 3.37Å; Y126-E191 VanDerWaalsContact OH-CD 3.24Å; Y126-E191 PolarHBondContact OH-OE1 3.38Å; Y126-E191 PolarHBondContact OH-OE2 3.06Å |
| 127 | H | 95.2 | Very high | 96.6 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -76.2 | 120.8 | 178.9 | -81.6 | -166.5 | 0 | 0 | 0 | 111.5 | W87 Y119 L123 M131 R132 | W87-H127 AromaticContact CZ3-CD2 3.82Å; W87-H127 AromaticContact CZ3-NE2 3.92Å; Y119-H127 AromaticContact CE2-CE1 3.76Å; Y119-H127 AromaticContact CE2-ND1 3.33Å; Y119-H127 VanDerWaalsContact CE2-ND1 3.33Å; Y119-H127 WeakPolarHBondContact CE2-ND1 3.38Å; Y119-H127 AromaticContact CZ-ND1 3.57Å; Y119-H127 WeakPolarHBondContact OH-CB 3.34Å; Y119-H127 PolarHBondContact OH-ND1 2.72Å; L123-H127 PolarHBondContact O-N 3.41Å; H127-M131 HydrophobicContact CB-CB 3.72Å; H127-M131 HydrophobicContact CB-CE 4.43Å; H127-R132 HydrophobicContact CB-CG 3.88Å; H127-R132 WeakPolarHBondContact O-CG 3.38Å; H127-R132 VanDerWaalsContact O-CZ 3.27Å; H127-R132 PolarHBondContact O-NH1 3.43Å |
| 128 | N | 96.8 | Very high | 96.4 | Very high | 87 Ų | 87 | 71 Ų | 71 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | trans | -60.4 | 174 | 169.1 | 70.7 | 36.6 | 0 | 0 | 0 | 113 | Y126 L130 M131 R132 | Y126-N128 PolarHBondContact O-N 3.49Å; N128-L130 VanDerWaalsContact C-N 3.26Å; N128-L130 PolarHBondContact O-N 3.2Å; N128-L130 WeakPolarHBondContact OD1-CB 3.32Å; N128-L130 PolarHBondContact OD1-N 3.43Å; N128-M131 HydrophobicContact CB-CE 4.15Å; N128-M131 WeakPolarHBondContact ND2-CE 3.23Å; N128-M131 PolarHBondContact O-N 3.44Å; N128-M131 PolarHBondContact OD1-N 3.24Å; N128-R132 WeakPolarHBondContact O-CG 3.42Å; N128-R132 PolarHBondContact O-N 3.08Å | ||
| 129 | K | 96.9 | Very high | 96.3 | Very high | 158 Ų | 158 | 72.6 Ų | 72.6 | 69% | 0.687 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.5 | -35.5 | -176.3 | -69.6 | -179.3 | -178.8 | 176.3 | 0 | 113.7 | R133 | K129-R133 WeakPolarHBondContact O-CG 3.39Å; K129-R133 PolarHBondContact O-N 2.92Å |
| 130 | L | 96.6 | Very high | 96.2 | Very high | 131 Ų | 131 | 79.4 Ų | 79.4 | 69% | 0.686 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.9 | -48.3 | 179.9 | 179.1 | 60.9 | 0 | 0 | 0 | 110.8 | N128 R132 R133 A134 | N128-L130 VanDerWaalsContact C-N 3.26Å; N128-L130 PolarHBondContact O-N 3.2Å; N128-L130 WeakPolarHBondContact OD1-CB 3.32Å; N128-L130 PolarHBondContact OD1-N 3.43Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.88Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 3.35Å; L130-R133 VanDerWaalsContact O-N 3.12Å; L130-A134 PolarHBondContact O-N 3.11Å |
| 131 | M | 96.1 | Very high | 96 | Very high | 62 Ų | 62 | 77.7 Ų | 77.7 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.2 | -69.9 | -170.6 | -83.2 | 0 | 0 | 111.9 | W87 H127 N128 R133 A134 F135 | W87-M131 HydrophobicContact CH2-CE 4.3Å; H127-M131 HydrophobicContact CB-CB 3.72Å; H127-M131 HydrophobicContact CB-CE 4.43Å; N128-M131 HydrophobicContact CB-CE 4.15Å; N128-M131 WeakPolarHBondContact ND2-CE 3.23Å; N128-M131 PolarHBondContact O-N 3.44Å; N128-M131 PolarHBondContact OD1-N 3.24Å; M131-R133 VanDerWaalsContact C-N 3.31Å; M131-R133 PolarHBondContact O-N 3.17Å; M131-A134 PolarHBondContact O-N 3.15Å; M131-F135 PolarHBondContact O-N 3.11Å |
| 132 | R | 97.7 | Very high | 96 | Very high | 81 Ų | 81 | 73.9 Ų | 73.9 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 174.8 | -68.8 | -171.4 | -66 | -113.5 | 8.5 | 113.4 | Y119 H127 N128 L130 R136 | Y119-R132 WeakPolarHBondContact OH-CA 3.41Å; Y119-R132 WeakPolarHBondContact OH-CG 3.42Å; H127-R132 HydrophobicContact CB-CG 3.88Å; H127-R132 WeakPolarHBondContact O-CG 3.38Å; H127-R132 VanDerWaalsContact O-CZ 3.27Å; H127-R132 PolarHBondContact O-NH1 3.43Å; N128-R132 WeakPolarHBondContact O-CG 3.42Å; N128-R132 PolarHBondContact O-N 3.08Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.88Å; R132-R136 PolarHBondContact O-N 3.4Å; R132-R136 PolarHBondContact O-NH1 3.49Å |
| 133 | R | 96.3 | Very high | 95.9 | Very high | 157 Ų | 157 | 74.1 Ų | 74.1 | 59% | 0.592 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69 | -45.7 | 175.1 | -76.2 | 171.3 | 179.5 | -171.8 | -0.1 | 111.1 | K129 L130 M131 F135 R136 L137 | K129-R133 WeakPolarHBondContact O-CG 3.39Å; K129-R133 PolarHBondContact O-N 2.92Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 3.35Å; L130-R133 VanDerWaalsContact O-N 3.12Å; M131-R133 VanDerWaalsContact C-N 3.31Å; M131-R133 PolarHBondContact O-N 3.17Å; R133-F135 VanDerWaalsContact C-N 3.3Å; R133-F135 PolarHBondContact O-N 2.85Å; R133-R136 PolarHBondContact O-N 2.85Å; R133-L137 PolarHBondContact O-N 2.87Å |
| 134 | A | 95.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 82 Ų | 82 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L130 M131 R136 L137 F138 | L130-A134 PolarHBondContact O-N 3.11Å; M131-A134 PolarHBondContact O-N 3.15Å; A134-R136 PolarHBondContact O-N 3.18Å; A134-L137 WeakPolarHBondContact O-CB 3.32Å; A134-L137 PolarHBondContact O-N 3.37Å; A134-F138 PolarHBondContact O-N 2.94Å |
| 135 | F | 95.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 81.5 Ų | 81.5 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.7 | -175.6 | -94.9 | 0 | 0 | 0 | 112.9 | F94 I115 Y119 M131 R133 L137 F138 L139 | F94-F135 HydrophobicContact CE2-CE2 4.42Å; F94-F135 HydrophobicContact CE2-CZ 4.5Å; F94-F135 HydrophobicContact CZ-CE2 4.07Å; F94-F135 HydrophobicContact CZ-CZ 4.45Å; I115-F135 HydrophobicContact CG2-CE2 4.17Å; I115-F135 HydrophobicContact CG2-CZ 3.68Å; Y119-F135 VanDerWaalsContact CB-CE1 3.43Å; Y119-F135 AromaticContact CD1-CD1 3.38Å; Y119-F135 HydrophobicContact CD1-CD1 3.38Å; Y119-F135 AromaticContact CD1-CE1 3.35Å; Y119-F135 HydrophobicContact CD1-CE1 3.35Å; Y119-F135 HydrophobicContact CD1-CE2 4.48Å; Y119-F135 AromaticContact CD1-CG 4Å; Y119-F135 HydrophobicContact CD1-CG 4Å; Y119-F135 AromaticContact CD1-CZ 3.94Å; Y119-F135 HydrophobicContact CD1-CZ 3.94Å; Y119-F135 AromaticContact CD2-CD1 3.83Å; Y119-F135 HydrophobicContact CD2-CD1 3.83Å; Y119-F135 AromaticContact CD2-CD2 3.41Å; Y119-F135 HydrophobicContact CD2-CD2 3.41Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.41Å; Y119-F135 AromaticContact CD2-CE1 3.76Å; Y119-F135 HydrophobicContact CD2-CE1 3.76Å; Y119-F135 AromaticContact CD2-CE2 3.34Å; Y119-F135 HydrophobicContact CD2-CE2 3.34Å; Y119-F135 AromaticContact CD2-CG 3.66Å; Y119-F135 HydrophobicContact CD2-CG 3.66Å; Y119-F135 AromaticContact CD2-CZ 3.53Å; Y119-F135 HydrophobicContact CD2-CZ 3.53Å; Y119-F135 HydrophobicContact CE1-CB 4.24Å; Y119-F135 AromaticContact CE1-CD1 3.52Å; Y119-F135 HydrophobicContact CE1-CD1 3.52Å; Y119-F135 HydrophobicContact CE1-CE1 4.01Å; Y119-F135 AromaticContact CE1-CG 3.85Å; Y119-F135 HydrophobicContact CE1-CG 3.85Å; Y119-F135 HydrophobicContact CE2-CB 3.96Å; Y119-F135 AromaticContact CE2-CD1 3.95Å; Y119-F135 HydrophobicContact CE2-CD1 3.95Å; Y119-F135 AromaticContact CE2-CD2 3.51Å; Y119-F135 HydrophobicContact CE2-CD2 3.51Å; Y119-F135 HydrophobicContact CE2-CE1 4.36Å; Y119-F135 AromaticContact CE2-CE2 3.96Å; Y119-F135 HydrophobicContact CE2-CE2 3.96Å; Y119-F135 AromaticContact CE2-CG 3.49Å; Y119-F135 HydrophobicContact CE2-CG 3.49Å; Y119-F135 VanDerWaalsContact CE2-CG 3.49Å; Y119-F135 HydrophobicContact CE2-CZ 4.37Å; Y119-F135 AromaticContact CG-CD1 3.55Å; Y119-F135 HydrophobicContact CG-CD1 3.55Å; Y119-F135 AromaticContact CG-CD2 3.96Å; Y119-F135 HydrophobicContact CG-CD2 3.96Å; Y119-F135 AromaticContact CG-CE1 3.21Å; Y119-F135 HydrophobicContact CG-CE1 3.21Å; Y119-F135 AromaticContact CG-CE2 3.65Å; Y119-F135 HydrophobicContact CG-CE2 3.65Å; Y119-F135 AromaticContact CG-CG 3.91Å; Y119-F135 HydrophobicContact CG-CG 3.91Å; Y119-F135 AromaticContact CG-CZ 3.28Å; Y119-F135 HydrophobicContact CG-CZ 3.28Å; Y119-F135 AromaticContact CZ-CD1 3.81Å; Y119-F135 AromaticContact CZ-CG 3.61Å; M131-F135 PolarHBondContact O-N 3.11Å; R133-F135 VanDerWaalsContact C-N 3.3Å; R133-F135 PolarHBondContact O-N 2.85Å; F135-L137 VanDerWaalsContact C-N 3.3Å; F135-L137 PolarHBondContact O-N 3.36Å; F135-F138 HydrophobicContact CD2-CD1 4.21Å; F135-F138 HydrophobicContact CE2-CD1 4.05Å; F135-F138 HydrophobicContact CE2-CE1 4.3Å; F135-F138 VanDerWaalsContact O-CB 3.31Å; F135-F138 WeakPolarHBondContact O-CB 3.48Å; F135-F138 PolarHBondContact O-N 2.9Å; F135-F138 VanDerWaalsContact O-N 3.12Å; F135-L139 HydrophobicContact CD1-CD1 4.38Å; F135-L139 HydrophobicContact CD1-CG 4.34Å; F135-L139 HydrophobicContact CE1-CD1 3.97Å; F135-L139 HydrophobicContact CE1-CD2 3.8Å; F135-L139 HydrophobicContact CE1-CG 3.92Å; F135-L139 HydrophobicContact CZ-CD2 3.87Å; F135-L139 HydrophobicContact CZ-CG 4.42Å; F135-L139 PolarHBondContact O-N 3.33Å; F135-L139 VanDerWaalsContact O-N 3.11Å |
| 136 | R | 96.3 | Very high | 96 | Very high | 137 Ų | 137 | 79.6 Ų | 79.6 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 175.4 | -71.9 | -166.9 | -60.6 | -87.3 | 7.3 | 112.7 | R132 R133 A134 F138 L139 H140 | R132-R136 PolarHBondContact O-N 3.4Å; R132-R136 PolarHBondContact O-NH1 3.49Å; R133-R136 PolarHBondContact O-N 2.85Å; A134-R136 PolarHBondContact O-N 3.18Å; R136-F138 VanDerWaalsContact C-N 3.33Å; R136-L139 PolarHBondContact O-N 2.78Å; R136-H140 PolarHBondContact O-CD2 3.19Å; R136-H140 VanDerWaalsContact O-CD2 3.29Å |
| 137 | L | 95.6 | Very high | 95.9 | Very high | 124 Ų | 124 | 80 Ų | 80 | 65% | 0.649 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 174.3 | -64.3 | 176.1 | 0 | 0 | 0 | 111.4 | R133 A134 F135 L139 H140 | R133-L137 PolarHBondContact O-N 2.87Å; A134-L137 WeakPolarHBondContact O-CB 3.32Å; A134-L137 PolarHBondContact O-N 3.37Å; F135-L137 VanDerWaalsContact C-N 3.3Å; F135-L137 PolarHBondContact O-N 3.36Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.92Å; L137-H140 WeakPolarHBondContact O-CB 3.24Å; L137-H140 PolarHBondContact O-N 3.36Å |
| 138 | F | 95.1 | Very high | 96 | Very high | 21 Ų | 21 | 78.7 Ų | 78.7 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59 | -35.9 | 175.5 | 163.6 | -95.2 | 0 | 0 | 0 | 113.1 | F40 L43 I115 A134 F135 R136 H140 I141 V142 | F40-F138 HydrophobicContact CD1-CD2 4.37Å; F40-F138 AromaticContact CD1-CE2 3.43Å; F40-F138 HydrophobicContact CD1-CE2 3.43Å; F40-F138 VanDerWaalsContact CD1-CE2 3.43Å; F40-F138 HydrophobicContact CD1-CZ 4.16Å; F40-F138 HydrophobicContact CD2-CE2 4.04Å; F40-F138 HydrophobicContact CD2-CZ 4.15Å; F40-F138 HydrophobicContact CE1-CD2 4.37Å; F40-F138 AromaticContact CE1-CE2 3.35Å; F40-F138 HydrophobicContact CE1-CE2 3.35Å; F40-F138 AromaticContact CE1-CZ 3.73Å; F40-F138 HydrophobicContact CE1-CZ 3.73Å; F40-F138 AromaticContact CE2-CE2 3.99Å; F40-F138 HydrophobicContact CE2-CE2 3.99Å; F40-F138 AromaticContact CE2-CZ 3.74Å; F40-F138 HydrophobicContact CE2-CZ 3.74Å; F40-F138 AromaticContact CG-CE2 3.81Å; F40-F138 HydrophobicContact CG-CE2 3.81Å; F40-F138 HydrophobicContact CG-CZ 4.38Å; F40-F138 AromaticContact CZ-CE2 3.66Å; F40-F138 HydrophobicContact CZ-CE2 3.66Å; F40-F138 AromaticContact CZ-CZ 3.51Å; F40-F138 HydrophobicContact CZ-CZ 3.51Å; L43-F138 HydrophobicContact CD1-CD2 3.61Å; L43-F138 HydrophobicContact CD1-CE2 3.38Å; L43-F138 HydrophobicContact CD1-CG 4.47Å; L43-F138 HydrophobicContact CD1-CZ 4.11Å; L43-F138 HydrophobicContact CD2-CE2 4.46Å; L43-F138 HydrophobicContact CD2-CZ 4.42Å; I115-F138 HydrophobicContact CG2-CE1 4.09Å; A134-F138 PolarHBondContact O-N 2.94Å; F135-F138 HydrophobicContact CD2-CD1 4.21Å; F135-F138 HydrophobicContact CE2-CD1 4.05Å; F135-F138 HydrophobicContact CE2-CE1 4.3Å; F135-F138 VanDerWaalsContact O-CB 3.31Å; F135-F138 WeakPolarHBondContact O-CB 3.48Å; F135-F138 PolarHBondContact O-N 2.9Å; F135-F138 VanDerWaalsContact O-N 3.12Å; R136-F138 VanDerWaalsContact C-N 3.33Å; F138-H140 PolarHBondContact O-N 3.48Å; F138-H140 VanDerWaalsContact O-N 3.11Å; F138-I141 HydrophobicContact CD2-CD1 4.13Å; F138-I141 HydrophobicContact CD2-CG1 4.17Å; F138-I141 WeakPolarHBondContact O-CG1 3.02Å; F138-I141 PolarHBondContact O-N 3.04Å; F138-V142 HydrophobicContact CD1-CG2 4.39Å; F138-V142 HydrophobicContact CE1-CG2 3.9Å; F138-V142 HydrophobicContact CZ-CG2 4.09Å |
| 139 | L | 97 | Very high | 96 | Very high | 32 Ų | 32 | 74.9 Ų | 74.9 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -26.6 | 177.7 | -66.4 | 177.1 | 0 | 0 | 0 | 113.5 | I115 A116 F135 R136 L137 I141 | I115-L139 HydrophobicContact CB-CD2 4.32Å; I115-L139 HydrophobicContact CG2-CD2 3.79Å; A116-L139 HydrophobicContact CB-CD1 3.89Å; A116-L139 HydrophobicContact CB-CD2 4.2Å; F135-L139 HydrophobicContact CD1-CD1 4.38Å; F135-L139 HydrophobicContact CD1-CG 4.34Å; F135-L139 HydrophobicContact CE1-CD1 3.97Å; F135-L139 HydrophobicContact CE1-CD2 3.8Å; F135-L139 HydrophobicContact CE1-CG 3.92Å; F135-L139 HydrophobicContact CZ-CD2 3.87Å; F135-L139 HydrophobicContact CZ-CG 4.42Å; F135-L139 PolarHBondContact O-N 3.33Å; F135-L139 VanDerWaalsContact O-N 3.11Å; R136-L139 PolarHBondContact O-N 2.78Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.92Å; L139-I141 VanDerWaalsContact C-N 3.3Å; L139-I141 PolarHBondContact O-N 3.48Å |
| 140 | H | 95.5 | Very high | 96 | Very high | 151 Ų | 151 | 71.4 Ų | 71.4 | 70% | 0.699 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -17 | 178.8 | -65.7 | -72.6 | 0 | 0 | 0 | 113.9 | R136 L137 F138 | R136-H140 PolarHBondContact O-CD2 3.19Å; R136-H140 VanDerWaalsContact O-CD2 3.29Å; L137-H140 WeakPolarHBondContact O-CB 3.24Å; L137-H140 PolarHBondContact O-N 3.36Å; F138-H140 PolarHBondContact O-N 3.48Å; F138-H140 VanDerWaalsContact O-N 3.11Å |
| 141 | I | 95 | Very high | 96 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -2.7 | -179.6 | 63.5 | 169.3 | 0 | 0 | 0 | 113.3 | K39 F138 L139 | K39-I141 HydrophobicContact CB-CD1 4.09Å; K39-I141 WeakPolarHBondContact O-CD1 3.5Å; F138-I141 HydrophobicContact CD2-CD1 4.13Å; F138-I141 HydrophobicContact CD2-CG1 4.17Å; F138-I141 WeakPolarHBondContact O-CG1 3.02Å; F138-I141 PolarHBondContact O-N 3.04Å; L139-I141 VanDerWaalsContact C-N 3.3Å; L139-I141 PolarHBondContact O-N 3.48Å |
| 142 | V | 96.2 | Very high | 96 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 128.5 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | V111 R112 I115 F138 | V111-V142 HydrophobicContact CB-CG1 3.99Å; V111-V142 HydrophobicContact CG1-CG1 3.78Å; R112-V142 HydrophobicContact CB-CB 4.01Å; R112-V142 HydrophobicContact CB-CG1 4.06Å; R112-V142 HydrophobicContact CB-CG2 4.42Å; I115-V142 HydrophobicContact CD1-CG1 3.79Å; I115-V142 HydrophobicContact CD1-CG2 3.89Å; F138-V142 HydrophobicContact CD1-CG2 4.39Å; F138-V142 HydrophobicContact CE1-CG2 3.9Å; F138-V142 HydrophobicContact CZ-CG2 4.09Å |
| 143 | P | 94.7 | Very high | 96 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 161.2 | -178.3 | 25.7 | -27 | 0 | 0 | 0 | 112.5 | W36 V147 F148 | W36-P143 HydrophobicContact CD2-CG 4.24Å; W36-P143 HydrophobicContact CE3-CG 3.5Å; W36-P143 VanDerWaalsContact CE3-CG 3.5Å; W36-P143 HydrophobicContact CH2-CG 4.5Å; W36-P143 HydrophobicContact CZ3-CG 3.64Å; P143-V147 HydrophobicContact CB-CB 4.08Å; P143-V147 HydrophobicContact CB-CG1 3.91Å; P143-F148 HydrophobicContact CG-CD2 3.96Å |
| 144 | K | 95.8 | Very high | 96 | Very high | 173 Ų | 173 | 56.6 Ų | 56.6 | 75% | 0.752 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 154.4 | 173.7 | -65.5 | -176.5 | 178.9 | -179 | 0 | 111 | S146 V147 F148 | K144-S146 VanDerWaalsContact C-N 3.31Å; K144-S146 PolarHBondContact O-N 2.72Å; K144-V147 PolarHBondContact O-N 3.48Å; K144-V147 VanDerWaalsContact O-N 3.07Å; K144-F148 PolarHBondContact O-N 2.69Å |
| 145 | R | 96.8 | Very high | 96 | Very high | 24 Ų | 24 | 58 Ų | 58 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -46.5 | -48.3 | 179.2 | -175.1 | -176.2 | -178.7 | 89.5 | 1.3 | 113.7 | F102 S105 V111 V147 F148 I149 E160 | F102-R145 HydrophobicContact CE2-CG 4.36Å; S105-R145 PolarHBondContact OG-NH1 2.78Å; V111-R145 HydrophobicContact CG2-CB 3.95Å; V111-R145 HydrophobicContact CG2-CG 4.44Å; R145-V147 PolarHBondContact O-N 3.44Å; R145-F148 CarbonylContact O-C 3.6Å; R145-F148 WeakPolarHBondContact O-CA 3.34Å; R145-F148 WeakPolarHBondContact O-CB 3.47Å; R145-F148 PolarHBondContact O-N 2.76Å; R145-I149 HydrophobicContact CG-CG1 4.27Å; R145-I149 WeakPolarHBondContact O-CG1 3.43Å; R145-I149 PolarHBondContact O-N 3.21Å; R145-E160 IonicContact CZ-OE1 2.93Å; R145-E160 IonicContact NE-OE1 3.13Å; R145-E160 PolarHBondContact NE-OE1 3Å; R145-E160 IonicContact NH2-OE1 3.96Å; R145-E160 PolarHBondContact NH2-OE1 3.39Å |
| 146 | S | 95.1 | Very high | 95.9 | Very high | 81 Ų | 81 | 60.3 Ų | 60.3 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | -178.6 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | K144 F148 R150 | K144-S146 VanDerWaalsContact C-N 3.31Å; K144-S146 PolarHBondContact O-N 2.72Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 3.05Å; S146-R150 VanDerWaalsContact O-CB 3.28Å; S146-R150 WeakPolarHBondContact O-CB 3.46Å; S146-R150 PolarHBondContact O-N 2.94Å |
| 147 | V | 94.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 59.7 Ų | 59.7 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | P143 K144 R145 R150 K151 | P143-V147 HydrophobicContact CB-CB 4.08Å; P143-V147 HydrophobicContact CB-CG1 3.91Å; K144-V147 PolarHBondContact O-N 3.48Å; K144-V147 VanDerWaalsContact O-N 3.07Å; R145-V147 PolarHBondContact O-N 3.44Å; V147-R150 PolarHBondContact O-N 2.84Å; V147-K151 WeakPolarHBondContact O-CG 3.47Å; V147-K151 PolarHBondContact O-N 3.05Å; V147-K151 VanDerWaalsContact O-N 3.07Å |
| 148 | F | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -51.3 | -179.6 | -155.4 | -82.2 | 0 | 0 | 0 | 111.9 | F32 W36 F98 F102 V111 P143 K144 R145 S146 R150 K151 L152 | F32-F148 HydrophobicContact CE2-CZ 4.34Å; F32-F148 HydrophobicContact CZ-CE1 4.42Å; F32-F148 AromaticContact CZ-CZ 3.87Å; F32-F148 HydrophobicContact CZ-CZ 3.87Å; W36-F148 AromaticContact CE2-CE2 3.73Å; W36-F148 HydrophobicContact CH2-CB 3.91Å; W36-F148 AromaticContact CH2-CD1 3.87Å; W36-F148 HydrophobicContact CH2-CD1 3.87Å; W36-F148 AromaticContact CH2-CD2 3.37Å; W36-F148 HydrophobicContact CH2-CD2 3.37Å; W36-F148 HydrophobicContact CH2-CE1 4.22Å; W36-F148 AromaticContact CH2-CE2 3.77Å; W36-F148 HydrophobicContact CH2-CE2 3.77Å; W36-F148 AromaticContact CH2-CG 3.43Å; W36-F148 HydrophobicContact CH2-CG 3.43Å; W36-F148 VanDerWaalsContact CH2-CG 3.43Å; W36-F148 HydrophobicContact CH2-CZ 4.18Å; W36-F148 WeakPolarHBondContact CH2-O 3.37Å; W36-F148 AromaticContact CZ2-CD1 3.94Å; W36-F148 HydrophobicContact CZ2-CD1 3.94Å; W36-F148 AromaticContact CZ2-CD2 3.45Å; W36-F148 HydrophobicContact CZ2-CD2 3.45Å; W36-F148 VanDerWaalsContact CZ2-CD2 3.45Å; W36-F148 AromaticContact CZ2-CE1 3.8Å; W36-F148 HydrophobicContact CZ2-CE1 3.8Å; W36-F148 AromaticContact CZ2-CE2 3.3Å; W36-F148 HydrophobicContact CZ2-CE2 3.3Å; W36-F148 AromaticContact CZ2-CG 3.77Å; W36-F148 HydrophobicContact CZ2-CG 3.77Å; W36-F148 AromaticContact CZ2-CZ 3.48Å; W36-F148 HydrophobicContact CZ2-CZ 3.48Å; W36-F148 VanDerWaalsContact CZ2-CZ 3.48Å; W36-F148 HydrophobicContact CZ3-CB 4.35Å; W36-F148 AromaticContact CZ3-CD2 3.94Å; W36-F148 HydrophobicContact CZ3-CD2 3.94Å; W36-F148 HydrophobicContact CZ3-CG 4.19Å; F98-F148 AromaticContact CE1-CE1 3.65Å; F98-F148 HydrophobicContact CE1-CE1 3.65Å; F98-F148 AromaticContact CE1-CZ 3.53Å; F98-F148 HydrophobicContact CE1-CZ 3.53Å; F98-F148 HydrophobicContact CZ-CD1 4.39Å; F98-F148 AromaticContact CZ-CE1 3.48Å; F98-F148 HydrophobicContact CZ-CE1 3.48Å; F98-F148 VanDerWaalsContact CZ-CE1 3.48Å; F98-F148 HydrophobicContact CZ-CE2 4.29Å; F98-F148 AromaticContact CZ-CZ 3.43Å; F98-F148 HydrophobicContact CZ-CZ 3.43Å; F98-F148 VanDerWaalsContact CZ-CZ 3.43Å; F102-F148 AromaticContact CE1-CD1 3.9Å; F102-F148 HydrophobicContact CE1-CD1 3.9Å; F102-F148 HydrophobicContact CE1-CE1 4.23Å; F102-F148 AromaticContact CZ-CD1 3.82Å; F102-F148 HydrophobicContact CZ-CD1 3.82Å; F102-F148 HydrophobicContact CZ-CE1 4.49Å; V111-F148 HydrophobicContact CG1-CD1 4.48Å; V111-F148 HydrophobicContact CG1-CD2 3.64Å; V111-F148 HydrophobicContact CG1-CE2 3.81Å; V111-F148 HydrophobicContact CG1-CG 4.01Å; V111-F148 HydrophobicContact CG1-CZ 4.31Å; V111-F148 HydrophobicContact CG2-CB 4.08Å; V111-F148 HydrophobicContact CG2-CG 4.29Å; P143-F148 HydrophobicContact CG-CD2 3.96Å; K144-F148 PolarHBondContact O-N 2.69Å; R145-F148 CarbonylContact O-C 3.6Å; R145-F148 WeakPolarHBondContact O-CA 3.34Å; R145-F148 WeakPolarHBondContact O-CB 3.47Å; R145-F148 PolarHBondContact O-N 2.76Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 3.05Å; F148-R150 PolarHBondContact O-N 2.92Å; F148-K151 PolarHBondContact O-N 3.47Å; F148-L152 HydrophobicContact CD1-CD1 3.72Å; F148-L152 HydrophobicContact CD1-CG 4.32Å; F148-L152 HydrophobicContact CE1-CD1 3.62Å; F148-L152 HydrophobicContact CE1-CG 4.26Å; F148-L152 PolarHBondContact O-N 3.34Å; F148-L152 VanDerWaalsContact O-N 3.16Å |
| 149 | I | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 174.4 | -70.3 | -64.3 | 0 | 0 | 0 | 111.1 | F102 R145 K151 L152 G153 E160 V163 L164 | F102-I149 HydrophobicContact CE1-CD1 3.57Å; F102-I149 HydrophobicContact CE1-CG1 4.5Å; F102-I149 HydrophobicContact CZ-CD1 3.47Å; F102-I149 VanDerWaalsContact CZ-CD1 3.47Å; F102-I149 HydrophobicContact CZ-CG1 3.97Å; R145-I149 HydrophobicContact CG-CG1 4.27Å; R145-I149 WeakPolarHBondContact O-CG1 3.43Å; R145-I149 PolarHBondContact O-N 3.21Å; I149-K151 VanDerWaalsContact C-N 3.3Å; I149-K151 PolarHBondContact O-N 2.93Å; I149-L152 PolarHBondContact O-N 2.88Å; I149-G153 PolarHBondContact O-N 2.57Å; I149-E160 HydrophobicContact CD1-CG 4.01Å; I149-E160 HydrophobicContact CG1-CG 4.06Å; I149-E160 HydrophobicContact CG2-CB 3.77Å; I149-E160 HydrophobicContact CG2-CG 4.17Å; I149-V163 HydrophobicContact CD1-CB 4.33Å; I149-V163 HydrophobicContact CD1-CG1 3.74Å; I149-L164 HydrophobicContact CD1-CD2 3.93Å; I149-L164 HydrophobicContact CD1-CG 4.2Å |
| 150 | R | 96 | Very high | 95.3 | Very high | 85 Ų | 85 | 62 Ų | 62 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | -177.3 | -160.4 | -176.3 | 85.5 | -109.3 | -5.1 | 112.3 | S146 V147 F148 G153 L154 E155 | S146-R150 VanDerWaalsContact O-CB 3.28Å; S146-R150 WeakPolarHBondContact O-CB 3.46Å; S146-R150 PolarHBondContact O-N 2.94Å; V147-R150 PolarHBondContact O-N 2.84Å; F148-R150 PolarHBondContact O-N 2.92Å; R150-G153 CarbonylContact O-C 3.42Å; R150-G153 PolarHBondContact O-N 3.45Å; R150-L154 PolarHBondContact O-N 3.3Å; R150-E155 IonicContact CZ-OE2 3.65Å; R150-E155 IonicContact NE-OE2 3.47Å; R150-E155 PolarHBondContact NE-OE2 2.95Å; R150-E155 IonicContact NH2-OE1 2.72Å; R150-E155 PolarHBondContact NH2-OE1 2.7Å; R150-E155 IonicContact NH2-OE2 2.85Å; R150-E155 PolarHBondContact NH2-OE2 2.9Å; R150-E155 WeakPolarHBondContact O-CA 3.47Å; R150-E155 PolarHBondContact O-N 2.8Å |
| 151 | K | 96.8 | Very high | 95.3 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 175.8 | -77.2 | -66.8 | -171.2 | -170.6 | 0 | 112.8 | L35 W36 V147 F148 I149 G153 L154 E155 | L35-K151 HydrophobicContact CB-CB 4.37Å; L35-K151 VanDerWaalsContact O-CD 3.24Å; L35-K151 WeakPolarHBondContact O-CD 3.48Å; L35-K151 VanDerWaalsContact O-CE 3.28Å; L35-K151 WeakPolarHBondContact O-CE 3.33Å; W36-K151 HydrophobicContact CE3-CB 4.19Å; W36-K151 HydrophobicContact CE3-CG 3.88Å; W36-K151 HydrophobicContact CH2-CB 3.39Å; W36-K151 HydrophobicContact CH2-CG 3.96Å; W36-K151 HydrophobicContact CZ2-CB 4.24Å; W36-K151 HydrophobicContact CZ3-CB 3.39Å; W36-K151 HydrophobicContact CZ3-CG 3.36Å; V147-K151 WeakPolarHBondContact O-CG 3.47Å; V147-K151 PolarHBondContact O-N 3.05Å; V147-K151 VanDerWaalsContact O-N 3.07Å; F148-K151 PolarHBondContact O-N 3.47Å; I149-K151 VanDerWaalsContact C-N 3.3Å; I149-K151 PolarHBondContact O-N 2.93Å; K151-G153 VanDerWaalsContact C-N 3.28Å; K151-G153 PolarHBondContact O-N 3.45Å; K151-L154 PolarHBondContact O-N 3.28Å; K151-E155 WeakPolarHBondContact CD-OE1 3.48Å; K151-E155 WeakPolarHBondContact CE-OE1 3.16Å; K151-E155 IonicContact NZ-OE1 3.01Å; K151-E155 PolarHBondContact NZ-OE1 3.34Å |
| 152 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 174.3 | -72.5 | 175.5 | 0 | 0 | 0 | 112.6 | T3 F4 F5 F32 L35 F102 F148 I149 L154 V163 | T3-L152 WeakPolarHBondContact CB-O 3.08Å; F4-L152 HydrophobicContact CB-CD2 4.1Å; F4-L152 WeakPolarHBondContact CB-O 3.33Å; F4-L152 HydrophobicContact CD1-CD2 4.05Å; F4-L152 HydrophobicContact CG-CD2 4.18Å; F4-L152 PolarHBondContact N-O 3.32Å; F5-L152 HydrophobicContact CE2-CB 4.39Å; F5-L152 HydrophobicContact CE2-CD1 4.1Å; F5-L152 HydrophobicContact CE2-CD2 3.96Å; F5-L152 HydrophobicContact CE2-CG 4.4Å; F5-L152 HydrophobicContact CZ-CD1 4.19Å; F5-L152 HydrophobicContact CZ-CD2 3.76Å; F32-L152 HydrophobicContact CD2-CD2 3.98Å; F32-L152 HydrophobicContact CE2-CD2 3.89Å; L35-L152 HydrophobicContact CD1-CD2 3.76Å; F102-L152 HydrophobicContact CE1-CD1 4.05Å; F148-L152 HydrophobicContact CD1-CD1 3.72Å; F148-L152 HydrophobicContact CD1-CG 4.32Å; F148-L152 HydrophobicContact CE1-CD1 3.62Å; F148-L152 HydrophobicContact CE1-CG 4.26Å; F148-L152 PolarHBondContact O-N 3.34Å; F148-L152 VanDerWaalsContact O-N 3.16Å; I149-L152 PolarHBondContact O-N 2.88Å; L152-L154 PolarHBondContact O-N 3.07Å; L152-V163 HydrophobicContact CB-CG1 3.6Å; L152-V163 HydrophobicContact CB-CG2 4.31Å; L152-V163 HydrophobicContact CD1-CG1 3.85Å; L152-V163 HydrophobicContact CG-CG1 4.41Å |
| 153 | G | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 10.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | I149 R150 K151 E155 Q156 | I149-G153 PolarHBondContact O-N 2.57Å; R150-G153 CarbonylContact O-C 3.42Å; R150-G153 PolarHBondContact O-N 3.45Å; K151-G153 VanDerWaalsContact C-N 3.28Å; K151-G153 PolarHBondContact O-N 3.45Å; G153-E155 VanDerWaalsContact C-N 3.31Å; G153-E155 PolarHBondContact O-N 3.38Å; G153-Q156 WeakPolarHBondContact O-CB 3.5Å; G153-Q156 PolarHBondContact O-N 3.13Å; G153-Q156 VanDerWaalsContact O-N 3.09Å; G153-Q156 PolarHBondContact O-NE2 3.22Å |
| 154 | L | 95.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 60 Ų | 60 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 47.5 | 178.7 | -54.8 | 179.3 | 0 | 0 | 0 | 113 | I2 F4 L35 R150 K151 L152 Q156 | I2-L154 HydrophobicContact CG2-CD1 4.02Å; F4-L154 HydrophobicContact CB-CD2 4.44Å; L35-L154 HydrophobicContact CD2-CD2 4.27Å; R150-L154 PolarHBondContact O-N 3.3Å; K151-L154 PolarHBondContact O-N 3.28Å; L152-L154 PolarHBondContact O-N 3.07Å; L154-Q156 PolarHBondContact O-N 2.89Å |
| 155 | E | 95.5 | Very high | 95.7 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 14.1 | 178.8 | -52.5 | -71.4 | 170 | 0 | 0 | 114.9 | R150 K151 G153 | R150-E155 IonicContact CZ-OE2 3.65Å; R150-E155 IonicContact NE-OE2 3.47Å; R150-E155 PolarHBondContact NE-OE2 2.95Å; R150-E155 IonicContact NH2-OE1 2.72Å; R150-E155 PolarHBondContact NH2-OE1 2.7Å; R150-E155 IonicContact NH2-OE2 2.85Å; R150-E155 PolarHBondContact NH2-OE2 2.9Å; R150-E155 WeakPolarHBondContact O-CA 3.47Å; R150-E155 PolarHBondContact O-N 2.8Å; K151-E155 WeakPolarHBondContact CD-OE1 3.48Å; K151-E155 WeakPolarHBondContact CE-OE1 3.16Å; K151-E155 IonicContact NZ-OE1 3.01Å; K151-E155 PolarHBondContact NZ-OE1 3.34Å; G153-E155 VanDerWaalsContact C-N 3.31Å; G153-E155 PolarHBondContact O-N 3.38Å |
| 156 | Q | 93.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | trans | -83.6 | 144.1 | 172.7 | -67.6 | 161.6 | 105.6 | 0 | 0 | 111.8 | M1 I2 G153 L154 C159 | M1-Q156 VanDerWaalsContact CG-OE1 3.31Å; I2-Q156 PolarHBondContact O-NE2 2.91Å; G153-Q156 WeakPolarHBondContact O-CB 3.5Å; G153-Q156 PolarHBondContact O-N 3.13Å; G153-Q156 VanDerWaalsContact O-N 3.09Å; G153-Q156 PolarHBondContact O-NE2 3.22Å; L154-Q156 PolarHBondContact O-N 2.89Å; Q156-C159 PolarHBondContact O-SG 3.43Å | ||
| 157 | D | 90.7 | Very high | 95.9 | Very high | 125 Ų | 125 | 54.2 Ų | 54.2 | 67% | 0.668 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 159.5 | 176.3 | -67.3 | -43 | 0 | 0 | 0 | 112.7 | C159 | D157-C159 PolarHBondContact O-N 3.29Š|
| 158 | N | 91.1 | Very high | 96 | Very high | 164 Ų | 164 | 54.8 Ų | 54.8 | 88% | 0.877 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 30.3 | 174.5 | -58.8 | -46.2 | 0 | 0 | 0 | 114.2 | ||
| 159 | C | 94.3 | Very high | 96 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | trans | -93 | -3.7 | -173.3 | 63.6 | 0 | 0 | 0 | 0 | 114 | M1 Q156 D157 F161 I162 V163 | M1-C159 HydrophobicContact CE-CB 4.32Å; M1-C159 HydrophobicContact SD-CB 3.62Å; Q156-C159 PolarHBondContact O-SG 3.43Å; D157-C159 PolarHBondContact O-N 3.29Å; C159-F161 PolarHBondContact O-N 2.69Å; C159-I162 PolarHBondContact O-N 3.34Å; C159-V163 HydrophobicContact CB-CG2 4.14Å; C159-V163 WeakPolarHBondContact O-CB 3.37Å; C159-V163 WeakPolarHBondContact O-CG2 3.35Å; C159-V163 PolarHBondContact O-N 3.01Å | ||
| 160 | E | 95.5 | Very high | 96 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -52.5 | -49.9 | -171.3 | -175 | 161.9 | -176.6 | 0 | 0 | 113.1 | N107 R145 I149 I162 V163 L164 | N107-E160 PolarHBondContact OD1-OE1 3.03Å; R145-E160 IonicContact CZ-OE1 2.93Å; R145-E160 IonicContact NE-OE1 3.13Å; R145-E160 PolarHBondContact NE-OE1 3Å; R145-E160 IonicContact NH2-OE1 3.96Å; R145-E160 PolarHBondContact NH2-OE1 3.39Å; I149-E160 HydrophobicContact CD1-CG 4.01Å; I149-E160 HydrophobicContact CG1-CG 4.06Å; I149-E160 HydrophobicContact CG2-CB 3.77Å; I149-E160 HydrophobicContact CG2-CG 4.17Å; E160-I162 VanDerWaalsContact C-N 3.33Å; E160-I162 PolarHBondContact O-N 3.16Å; E160-V163 PolarHBondContact O-N 2.98Å; E160-L164 HydrophobicContact CG-CD1 3.81Å; E160-L164 HydrophobicContact CG-CG 4.28Å; E160-L164 VanDerWaalsContact O-CG 3.29Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.38Å |
| 161 | F | 95.9 | Very high | 96.1 | Very high | 155 Ų | 155 | 55.4 Ų | 55.4 | 68% | 0.68 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.9 | -44.9 | 179 | 176.6 | -99.6 | 0 | 0 | 0 | 112.5 | C159 R165 | C159-F161 PolarHBondContact O-N 2.69Å; F161-R165 WeakPolarHBondContact O-CB 3.39Å; F161-R165 PolarHBondContact O-N 3.39Å; F161-R165 VanDerWaalsContact O-N 3.11Å |
| 162 | I | 96.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.195 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.4 | -41.9 | -178.7 | -65.8 | 169.7 | 0 | 0 | 0 | 110.3 | M1 T3 C159 E160 R165 E166 | M1-I162 HydrophobicContact CB-CD1 4.23Å; M1-I162 HydrophobicContact CE-CD1 4.16Å; M1-I162 HydrophobicContact SD-CB 4.32Å; M1-I162 HydrophobicContact SD-CD1 3.62Å; M1-I162 HydrophobicContact SD-CG2 4.39Å; T3-I162 HydrophobicContact CG2-CG2 3.8Å; C159-I162 PolarHBondContact O-N 3.34Å; E160-I162 VanDerWaalsContact C-N 3.33Å; E160-I162 PolarHBondContact O-N 3.16Å; I162-R165 PolarHBondContact O-N 3.2Å; I162-E166 HydrophobicContact CG2-CG 4.35Å; I162-E166 WeakPolarHBondContact CG2-OE1 3.32Å; I162-E166 WeakPolarHBondContact O-CB 3.45Å; I162-E166 WeakPolarHBondContact O-CG 3.43Å; I162-E166 PolarHBondContact O-N 2.88Å |
| 163 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 177.6 | 166.6 | 0 | 0 | 0 | 0 | 111.3 | T3 F5 I149 L152 C159 E160 E166 A167 | T3-V163 HydrophobicContact CG2-CG2 4.14Å; F5-V163 HydrophobicContact CE2-CG1 4.42Å; I149-V163 HydrophobicContact CD1-CB 4.33Å; I149-V163 HydrophobicContact CD1-CG1 3.74Å; L152-V163 HydrophobicContact CB-CG1 3.6Å; L152-V163 HydrophobicContact CB-CG2 4.31Å; L152-V163 HydrophobicContact CD1-CG1 3.85Å; L152-V163 HydrophobicContact CG-CG1 4.41Å; C159-V163 HydrophobicContact CB-CG2 4.14Å; C159-V163 WeakPolarHBondContact O-CB 3.37Å; C159-V163 WeakPolarHBondContact O-CG2 3.35Å; C159-V163 PolarHBondContact O-N 3.01Å; E160-V163 PolarHBondContact O-N 2.98Å; V163-E166 PolarHBondContact O-N 2.94Å; V163-A167 VanDerWaalsContact O-CB 3.29Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 3.3Å |
| 164 | L | 97.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | -179.7 | -64.8 | 172.9 | 0 | 0 | 0 | 111.5 | F102 A103 I149 E160 A167 E168 | F102-L164 HydrophobicContact CD1-CD2 3.97Å; F102-L164 HydrophobicContact CE1-CD2 3.86Å; F102-L164 HydrophobicContact CZ-CD2 4.31Å; F102-L164 WeakPolarHBondContact O-CD2 3.33Å; A103-L164 WeakPolarHBondContact CB-O 3.3Å; I149-L164 HydrophobicContact CD1-CD2 3.93Å; I149-L164 HydrophobicContact CD1-CG 4.2Å; E160-L164 HydrophobicContact CG-CD1 3.81Å; E160-L164 HydrophobicContact CG-CG 4.28Å; E160-L164 VanDerWaalsContact O-CG 3.29Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.38Å; L164-A167 PolarHBondContact O-N 3.25Å; L164-E168 PolarHBondContact O-N 3.5Å |
| 165 | R | 97.4 | Very high | 95.9 | Very high | 125 Ų | 125 | 62.9 Ų | 62.9 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.2 | -175.9 | -162.2 | 69.9 | -164.2 | 0.5 | 111.8 | F161 I162 E168 Q169 | F161-R165 WeakPolarHBondContact O-CB 3.39Å; F161-R165 PolarHBondContact O-N 3.39Å; F161-R165 VanDerWaalsContact O-N 3.11Å; I162-R165 PolarHBondContact O-N 3.2Å; R165-E168 PolarHBondContact O-N 3.31Å; R165-Q169 PolarHBondContact O-N 3.48Å |
| 166 | E | 97.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.8 | -29.8 | -178.6 | -69.3 | -178.8 | -173.8 | 0 | 0 | 112.5 | T3 F5 S6 I162 V163 Q169 F170 | T3-E166 WeakPolarHBondContact CB-OE2 3.28Å; T3-E166 VanDerWaalsContact CG2-OE2 3.26Å; T3-E166 WeakPolarHBondContact CG2-OE2 3.44Å; T3-E166 PolarHBondContact OG1-OE2 2.94Å; F5-E166 HydrophobicContact CB-CB 3.85Å; F5-E166 HydrophobicContact CD2-CB 4.21Å; F5-E166 HydrophobicContact CG-CB 4.41Å; S6-E166 PolarHBondContact OG-OE2 3.21Å; I162-E166 HydrophobicContact CG2-CG 4.35Å; I162-E166 WeakPolarHBondContact CG2-OE1 3.32Å; I162-E166 WeakPolarHBondContact O-CB 3.45Å; I162-E166 WeakPolarHBondContact O-CG 3.43Å; I162-E166 PolarHBondContact O-N 2.88Å; V163-E166 PolarHBondContact O-N 2.94Å; E166-Q169 PolarHBondContact O-N 3.47Å; E166-F170 WeakPolarHBondContact O-CB 3.33Å; E166-F170 PolarHBondContact O-N 3.01Å |
| 167 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.3 | F5 L99 A103 V163 L164 F170 V171 | F5-A167 HydrophobicContact CD2-CB 4.27Å; F5-A167 HydrophobicContact CE2-CB 3.72Å; F5-A167 HydrophobicContact CZ-CB 3.9Å; L99-A167 HydrophobicContact CD2-CB 4.23Å; A103-A167 HydrophobicContact CB-CB 4.45Å; V163-A167 VanDerWaalsContact O-CB 3.29Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 3.3Å; L164-A167 PolarHBondContact O-N 3.25Å; A167-F170 PolarHBondContact O-N 3.39Å; A167-V171 WeakPolarHBondContact O-CG2 3.15Å; A167-V171 PolarHBondContact O-N 2.83Å |
| 168 | E | 97.6 | Very high | 96.1 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.2 | -171.8 | 175.3 | -168.8 | 0 | 0 | 112 | A103 L164 R165 F170 V171 R172 | A103-E168 HydrophobicContact CB-CB 3.92Å; L164-E168 PolarHBondContact O-N 3.5Å; R165-E168 PolarHBondContact O-N 3.31Å; E168-F170 VanDerWaalsContact C-N 3.33Å; E168-F170 PolarHBondContact O-N 3.25Å; E168-V171 WeakPolarHBondContact O-CB 3.25Å; E168-V171 PolarHBondContact O-N 3.33Å; E168-R172 WeakPolarHBondContact O-CG 3.44Å; E168-R172 PolarHBondContact O-N 2.83Å; E168-R172 IonicContact OE1-CZ 3.33Å; E168-R172 IonicContact OE1-NE 2.73Å; E168-R172 PolarHBondContact OE1-NE 3.38Å; E168-R172 IonicContact OE1-NH2 3.76Å; E168-R172 PolarHBondContact OE1-NH2 3Å |
| 169 | Q | 96.7 | Very high | 96.3 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.6 | -177.4 | 58.3 | 49.7 | 0 | 0 | 111.5 | R165 E166 V171 R172 T173 | R165-Q169 PolarHBondContact O-N 3.48Å; E166-Q169 PolarHBondContact O-N 3.47Å; Q169-V171 PolarHBondContact O-N 3.08Å; Q169-R172 PolarHBondContact O-N 3.11Å; Q169-T173 PolarHBondContact NE2-OG1 2.94Å; Q169-T173 WeakPolarHBondContact O-CB 3.48Å; Q169-T173 PolarHBondContact O-N 3.06Å; Q169-T173 PolarHBondContact O-OG1 3.5Å; Q169-T173 VanDerWaalsContact O-OG1 3.11Å |
| 170 | F | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 175.3 | 176.1 | -100 | 0 | 0 | 0 | 112 | F5 I8 L25 M28 I29 I96 L99 E166 A167 E168 R172 T173 I174 | F5-F170 HydrophobicContact CD1-CB 3.82Å; F5-F170 HydrophobicContact CD1-CD1 4.2Å; F5-F170 HydrophobicContact CD1-CD2 4.27Å; F5-F170 AromaticContact CD1-CG 3.84Å; F5-F170 HydrophobicContact CD1-CG 3.84Å; F5-F170 HydrophobicContact CE1-CB 4.45Å; F5-F170 HydrophobicContact CE1-CD1 4.21Å; F5-F170 HydrophobicContact CE1-CG 4.31Å; F5-F170 HydrophobicContact CG-CB 4.39Å; I8-F170 HydrophobicContact CB-CD2 4.41Å; I8-F170 HydrophobicContact CD1-CB 3.98Å; I8-F170 HydrophobicContact CD1-CD2 3.92Å; I8-F170 HydrophobicContact CD1-CG 4.46Å; I8-F170 HydrophobicContact CG1-CD2 3.88Å; I8-F170 HydrophobicContact CG2-CD2 3.8Å; I8-F170 HydrophobicContact CG2-CE2 4.05Å; L25-F170 HydrophobicContact CD1-CE2 4.02Å; L25-F170 HydrophobicContact CD1-CZ 3.9Å; M28-F170 HydrophobicContact CE-CD2 3.8Å; M28-F170 HydrophobicContact CE-CE2 3.5Å; M28-F170 HydrophobicContact CE-CZ 4.15Å; M28-F170 HydrophobicContact SD-CD2 4.34Å; M28-F170 HydrophobicContact SD-CE2 3.57Å; M28-F170 VanDerWaalsContact SD-CE2 3.57Å; M28-F170 HydrophobicContact SD-CZ 4.21Å; I29-F170 HydrophobicContact CD1-CZ 4.42Å; I96-F170 HydrophobicContact CD1-CD1 3.7Å; I96-F170 HydrophobicContact CD1-CE1 3.36Å; I96-F170 HydrophobicContact CD1-CZ 4.2Å; L99-F170 HydrophobicContact CD1-CD1 3.6Å; L99-F170 HydrophobicContact CD1-CE1 3.8Å; E166-F170 WeakPolarHBondContact O-CB 3.33Å; E166-F170 PolarHBondContact O-N 3.01Å; A167-F170 PolarHBondContact O-N 3.39Å; E168-F170 VanDerWaalsContact C-N 3.33Å; E168-F170 PolarHBondContact O-N 3.25Å; F170-R172 PolarHBondContact O-N 3.28Å; F170-T173 PolarHBondContact O-N 3.43Å; F170-I174 HydrophobicContact CD2-CG1 3.91Å; F170-I174 HydrophobicContact CE1-CG1 4.37Å; F170-I174 HydrophobicContact CE2-CD1 4.27Å; F170-I174 HydrophobicContact CE2-CG1 3.61Å; F170-I174 HydrophobicContact CG-CG1 4.42Å; F170-I174 HydrophobicContact CZ-CG1 3.87Å; F170-I174 WeakPolarHBondContact O-CB 3.26Å; F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 3.46Å |
| 171 | V | 97.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.3 | -53.6 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 110.8 | I96 L99 H100 A167 E168 Q169 T173 I174 E175 | I96-V171 HydrophobicContact CD1-CG2 4.46Å; I96-V171 HydrophobicContact CG2-CB 4.42Å; I96-V171 HydrophobicContact CG2-CG1 3.99Å; I96-V171 HydrophobicContact CG2-CG2 4.23Å; L99-V171 HydrophobicContact CB-CG2 3.66Å; H100-V171 HydrophobicContact CB-CG1 4.12Å; H100-V171 HydrophobicContact CB-CG2 4.32Å; A167-V171 WeakPolarHBondContact O-CG2 3.15Å; A167-V171 PolarHBondContact O-N 2.83Å; E168-V171 WeakPolarHBondContact O-CB 3.25Å; E168-V171 PolarHBondContact O-N 3.33Å; Q169-V171 PolarHBondContact O-N 3.08Å; V171-T173 VanDerWaalsContact C-N 3.3Å; V171-T173 PolarHBondContact O-N 3.12Å; V171-I174 PolarHBondContact O-N 3.21Å; V171-E175 VanDerWaalsContact O-CB 3.24Å; V171-E175 WeakPolarHBondContact O-CB 3.42Å; V171-E175 PolarHBondContact O-N 3.13Å |
| 172 | R | 96.4 | Very high | 96.6 | Very high | 150 Ų | 150 | 44.6 Ų | 44.6 | 57% | 0.566 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.3 | -35.3 | -178.1 | -69 | 177.8 | -176.3 | -166 | 3 | 113.2 | E168 Q169 F170 P176 | E168-R172 WeakPolarHBondContact O-CG 3.44Å; E168-R172 PolarHBondContact O-N 2.83Å; E168-R172 IonicContact OE1-CZ 3.33Å; E168-R172 IonicContact OE1-NE 2.73Å; E168-R172 PolarHBondContact OE1-NE 3.38Å; E168-R172 IonicContact OE1-NH2 3.76Å; E168-R172 PolarHBondContact OE1-NH2 3Å; Q169-R172 PolarHBondContact O-N 3.11Å; F170-R172 PolarHBondContact O-N 3.28Å; R172-P176 VanDerWaalsContact O-CD 3.32Å; R172-P176 WeakPolarHBondContact O-CD 3.36Å |
| 173 | T | 95.5 | Very high | 96.6 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 23% | 0.233 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -40.6 | 178.8 | -66.9 | 0 | 0 | 0 | 0 | 112 | I8 Q169 F170 V171 H177 | I8-T173 HydrophobicContact CG2-CG2 3.97Å; Q169-T173 PolarHBondContact NE2-OG1 2.94Å; Q169-T173 WeakPolarHBondContact O-CB 3.48Å; Q169-T173 PolarHBondContact O-N 3.06Å; Q169-T173 PolarHBondContact O-OG1 3.5Å; Q169-T173 VanDerWaalsContact O-OG1 3.11Å; F170-T173 PolarHBondContact O-N 3.43Å; V171-T173 VanDerWaalsContact C-N 3.3Å; V171-T173 PolarHBondContact O-N 3.12Å; T173-H177 PolarHBondContact O-CD2 3.4Å; T173-H177 PolarHBondContact O-NE2 3.41Å |
| 174 | I | 95.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -86.9 | -30.9 | -173.2 | -62.5 | -55 | 0 | 0 | 0 | 113.1 | I8 L25 I92 I96 F170 V171 H177 L178 | I8-I174 HydrophobicContact CG2-CD1 3.7Å; I8-I174 HydrophobicContact CG2-CG1 4.17Å; L25-I174 HydrophobicContact CD1-CD1 3.75Å; L25-I174 HydrophobicContact CD1-CG1 4.05Å; L25-I174 HydrophobicContact CD1-CG2 4.34Å; L25-I174 HydrophobicContact CD2-CD1 4.12Å; L25-I174 HydrophobicContact CD2-CG2 3.81Å; I92-I174 HydrophobicContact CG2-CG2 4.25Å; I96-I174 HydrophobicContact CD1-CB 3.81Å; I96-I174 HydrophobicContact CD1-CG1 4.46Å; I96-I174 HydrophobicContact CD1-CG2 3.85Å; I96-I174 HydrophobicContact CG1-CG2 4.22Å; F170-I174 HydrophobicContact CD2-CG1 3.91Å; F170-I174 HydrophobicContact CE1-CG1 4.37Å; F170-I174 HydrophobicContact CE2-CD1 4.27Å; F170-I174 HydrophobicContact CE2-CG1 3.61Å; F170-I174 HydrophobicContact CG-CG1 4.42Å; F170-I174 HydrophobicContact CZ-CG1 3.87Å; F170-I174 WeakPolarHBondContact O-CB 3.26Å; F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 3.46Å; V171-I174 PolarHBondContact O-N 3.21Å; I174-H177 PolarHBondContact O-N 2.9Å; I174-L178 PolarHBondContact O-N 3.29Å |
| 175 | E | 95 | Very high | 96.5 | Very high | 89 Ų | 89 | 49.1 Ų | 49.1 | 42% | 0.416 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.2 | -46.4 | -173.8 | 178 | 170.3 | -136.4 | 0 | 0 | 114.3 | V171 H177 L178 Q179 | V171-E175 VanDerWaalsContact O-CB 3.24Å; V171-E175 WeakPolarHBondContact O-CB 3.42Å; V171-E175 PolarHBondContact O-N 3.13Å; E175-H177 PolarHBondContact O-N 3.09Å; E175-L178 WeakPolarHBondContact O-CB 3.35Å; E175-L178 PolarHBondContact O-N 2.59Å; E175-L178 VanDerWaalsContact O-N 3.16Å; E175-Q179 WeakPolarHBondContact O-CG 3.38Å; E175-Q179 PolarHBondContact O-N 3.49Å |
| 176 | P | 94.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 178.4 | -24.4 | 35.2 | 0 | 0 | 0 | 113.1 | R172 L178 Q179 T180 | R172-P176 VanDerWaalsContact O-CD 3.32Å; R172-P176 WeakPolarHBondContact O-CD 3.36Å; P176-L178 VanDerWaalsContact C-N 3.3Å; P176-L178 PolarHBondContact O-N 3.04Å; P176-Q179 WeakPolarHBondContact O-CB 3.22Å; P176-Q179 PolarHBondContact O-N 3.33Å; P176-T180 PolarHBondContact O-N 3.22Å; P176-T180 PolarHBondContact O-OG1 3.39Å |
| 177 | H | 95.6 | Very high | 96.5 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -35.9 | 177.8 | -53.1 | -53.5 | 0 | 0 | 0 | 111.6 | F11 E14 L17 T173 I174 E175 Q179 T180 L181 | F11-H177 HydrophobicContact CD2-CB 3.88Å; F11-H177 AromaticContact CD2-CD2 3.47Å; F11-H177 VanDerWaalsContact CD2-CD2 3.47Å; F11-H177 WeakPolarHBondContact CD2-CD2 3.06Å; F11-H177 AromaticContact CD2-CG 3.52Å; F11-H177 AromaticContact CD2-NE2 3.93Å; F11-H177 HydrophobicContact CE2-CB 3.99Å; E14-H177 IonicContact OE1-CE1 3.69Å; L17-H177 WeakPolarHBondContact CD1-O 3.45Å; L17-H177 HydrophobicContact CD2-CB 4.16Å; T173-H177 PolarHBondContact O-CD2 3.4Å; T173-H177 PolarHBondContact O-NE2 3.41Å; I174-H177 PolarHBondContact O-N 2.9Å; E175-H177 PolarHBondContact O-N 3.09Å; H177-Q179 VanDerWaalsContact C-N 3.33Å; H177-T180 PolarHBondContact O-N 3.43Å; H177-L181 PolarHBondContact O-N 3.44Å |
| 178 | L | 95.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 175.4 | -161.7 | 68.7 | 0 | 0 | 0 | 112 | K89 I92 Q93 I174 E175 P176 L181 N182 | K89-L178 HydrophobicContact CD-CD1 4.22Å; K89-L178 HydrophobicContact CD-CG 4.45Å; K89-L178 HydrophobicContact CG-CD1 3.74Å; K89-L178 HydrophobicContact CG-CG 4.44Å; I92-L178 HydrophobicContact CB-CD1 4.1Å; I92-L178 HydrophobicContact CG2-CD1 3.83Å; I92-L178 HydrophobicContact CG2-CD2 4.12Å; Q93-L178 HydrophobicContact CB-CD2 3.73Å; Q93-L178 HydrophobicContact CG-CD2 4.09Å; I174-L178 PolarHBondContact O-N 3.29Å; E175-L178 WeakPolarHBondContact O-CB 3.35Å; E175-L178 PolarHBondContact O-N 2.59Å; E175-L178 VanDerWaalsContact O-N 3.16Å; P176-L178 VanDerWaalsContact C-N 3.3Å; P176-L178 PolarHBondContact O-N 3.04Å; L178-L181 PolarHBondContact O-N 3.47Å; L178-N182 VanDerWaalsContact O-CB 3.32Å; L178-N182 WeakPolarHBondContact O-CB 3.31Å; L178-N182 PolarHBondContact O-N 3.01Å |
| 179 | Q | 95.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 172.4 | -70 | 173.4 | -1.8 | 0 | 0 | 111.4 | E175 P176 H177 L181 N182 Q183 | E175-Q179 WeakPolarHBondContact O-CG 3.38Å; E175-Q179 PolarHBondContact O-N 3.49Å; P176-Q179 WeakPolarHBondContact O-CB 3.22Å; P176-Q179 PolarHBondContact O-N 3.33Å; H177-Q179 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 2.99Å; Q179-N182 WeakPolarHBondContact O-CB 3.21Å; Q179-N182 PolarHBondContact O-N 3.21Å; Q179-Q183 PolarHBondContact O-N 3.07Å |
| 180 | T | 96.7 | Very high | 96.2 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 173 | -55 | 0 | 0 | 0 | 0 | 111 | E14 K15 L17 P176 H177 N182 Q183 M184 | E14-T180 VanDerWaalsContact O-CG2 3.22Å; E14-T180 WeakPolarHBondContact O-CG2 3.26Å; E14-T180 PolarHBondContact O-OG1 3.47Å; K15-T180 VanDerWaalsContact O-CG2 3.31Å; K15-T180 WeakPolarHBondContact O-CG2 3.17Å; L17-T180 HydrophobicContact CD1-CG2 4.4Å; L17-T180 HydrophobicContact CG-CG2 4.34Å; P176-T180 PolarHBondContact O-N 3.22Å; P176-T180 PolarHBondContact O-OG1 3.39Å; H177-T180 PolarHBondContact O-N 3.43Å; T180-N182 VanDerWaalsContact C-N 3.31Å; T180-N182 PolarHBondContact O-N 2.94Å; T180-Q183 PolarHBondContact O-N 3.29Å; T180-M184 HydrophobicContact CG2-CE 3.9Å; T180-M184 PolarHBondContact O-N 3.24Å |
| 181 | L | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 177 | -179.5 | 55.5 | 0 | 0 | 0 | 112.3 | L17 F22 L66 L85 K89 H177 L178 Q179 Q183 M184 L185 | L17-L181 HydrophobicContact CD1-CB 3.75Å; F22-L181 HydrophobicContact CD2-CD2 4.04Å; F22-L181 HydrophobicContact CE2-CD2 3.3Å; F22-L181 HydrophobicContact CZ-CD2 3.68Å; L66-L181 HydrophobicContact CD1-CD1 3.85Å; L66-L181 HydrophobicContact CD1-CD2 4.26Å; L85-L181 HydrophobicContact CD1-CD1 4.14Å; L85-L181 HydrophobicContact CD1-CD2 3.94Å; L85-L181 HydrophobicContact CD2-CD1 4Å; L85-L181 HydrophobicContact CG-CD1 4.12Å; K89-L181 HydrophobicContact CB-CD2 3.8Å; K89-L181 HydrophobicContact CB-CG 4.34Å; K89-L181 HydrophobicContact CG-CB 4.46Å; K89-L181 HydrophobicContact CG-CD2 3.68Å; K89-L181 HydrophobicContact CG-CG 3.86Å; H177-L181 PolarHBondContact O-N 3.44Å; L178-L181 PolarHBondContact O-N 3.47Å; Q179-L181 PolarHBondContact O-N 2.99Å; L181-Q183 VanDerWaalsContact C-N 3.35Å; L181-Q183 PolarHBondContact O-N 3.08Å; L181-M184 HydrophobicContact CD1-CE 4.26Å; L181-M184 PolarHBondContact O-N 3.3Å; L181-L185 HydrophobicContact CD1-CD1 4.29Å; L181-L185 HydrophobicContact CD1-CG 4.25Å; L181-L185 HydrophobicContact CG-CD1 4.09Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.33Å |
| 182 | N | 96.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 176.2 | -170.6 | 80.7 | 0 | 0 | 0 | 111.6 | K89 L178 Q179 T180 L185 I186 | K89-N182 HydrophobicContact CD-CB 4.46Å; K89-N182 PolarHBondContact NZ-OD1 3.15Å; L178-N182 VanDerWaalsContact O-CB 3.32Å; L178-N182 WeakPolarHBondContact O-CB 3.31Å; L178-N182 PolarHBondContact O-N 3.01Å; Q179-N182 WeakPolarHBondContact O-CB 3.21Å; Q179-N182 PolarHBondContact O-N 3.21Å; T180-N182 VanDerWaalsContact C-N 3.31Å; T180-N182 PolarHBondContact O-N 2.94Å; N182-L185 PolarHBondContact O-N 2.93Å; N182-I186 VanDerWaalsContact ND2-CD1 3.3Å; N182-I186 WeakPolarHBondContact ND2-CD1 3.16Å; N182-I186 WeakPolarHBondContact O-CG1 3.43Å; N182-I186 PolarHBondContact O-N 2.79Å |
| 183 | Q | 96.8 | Very high | 94.9 | Very high | 147 Ų | 147 | 50.7 Ų | 50.7 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 175.7 | -70.1 | -152.9 | -11.3 | 0 | 0 | 112.5 | Q179 T180 L181 I186 L187 | Q179-Q183 PolarHBondContact O-N 3.07Å; T180-Q183 PolarHBondContact O-N 3.29Å; L181-Q183 VanDerWaalsContact C-N 3.35Å; L181-Q183 PolarHBondContact O-N 3.08Å; Q183-I186 PolarHBondContact O-N 3.4Å; Q183-L187 WeakPolarHBondContact O-CB 3.26Å; Q183-L187 PolarHBondContact O-N 3.37Å |
| 184 | M | 96.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 172.8 | -72.5 | -171.6 | -84.8 | 0 | 0 | 111.3 | L17 Y67 L70 T180 L181 I186 L187 F188 | L17-M184 HydrophobicContact CB-CE 4.16Å; L17-M184 HydrophobicContact CD1-CE 3.51Å; L17-M184 HydrophobicContact CG-CE 3.72Å; Y67-M184 HydrophobicContact CD2-CG 4.4Å; Y67-M184 HydrophobicContact CD2-SD 4.05Å; Y67-M184 HydrophobicContact CG-SD 4.48Å; L70-M184 HydrophobicContact CD1-CB 4.01Å; T180-M184 HydrophobicContact CG2-CE 3.9Å; T180-M184 PolarHBondContact O-N 3.24Å; L181-M184 HydrophobicContact CD1-CE 4.26Å; L181-M184 PolarHBondContact O-N 3.3Å; M184-I186 VanDerWaalsContact C-N 3.28Å; M184-I186 PolarHBondContact O-N 3.27Å; M184-L187 WeakPolarHBondContact O-CB 3.39Å; M184-L187 PolarHBondContact O-N 2.91Å; M184-L187 VanDerWaalsContact O-N 3.08Å; M184-F188 WeakPolarHBondContact O-CD2 3.28Å; M184-F188 PolarHBondContact O-N 3.35Å |
| 185 | L | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 179.4 | -70 | 165.6 | 0 | 0 | 0 | 112.5 | L70 L86 K89 L181 N182 G189 L190 E191 | L70-L185 HydrophobicContact CD1-CD2 4.27Å; L70-L185 HydrophobicContact CD2-CD2 4.11Å; L86-L185 HydrophobicContact CB-CD2 4.36Å; L86-L185 HydrophobicContact CD1-CD1 4.09Å; K89-L185 HydrophobicContact CB-CD1 3.84Å; K89-L185 HydrophobicContact CD-CD1 4.3Å; K89-L185 HydrophobicContact CG-CD1 3.79Å; L181-L185 HydrophobicContact CD1-CD1 4.29Å; L181-L185 HydrophobicContact CD1-CG 4.25Å; L181-L185 HydrophobicContact CG-CD1 4.09Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.33Å; N182-L185 PolarHBondContact O-N 2.93Å; L185-G189 PolarHBondContact O-N 3.03Å; L185-L190 HydrophobicContact CB-CB 4.43Å; L185-L190 HydrophobicContact CD2-CB 4.08Å; L185-L190 HydrophobicContact CD2-CD1 3.88Å; L185-L190 PolarHBondContact O-N 2.9Å; L185-E191 HydrophobicContact CB-CB 3.72Å; L185-E191 PolarHBondContact O-N 2.94Å |
| 186 | I | 96.9 | Very high | 88.8 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 172.3 | -67.9 | 162.3 | 0 | 0 | 0 | 110.8 | N182 Q183 M184 F188 G189 E191 | N182-I186 VanDerWaalsContact ND2-CD1 3.3Å; N182-I186 WeakPolarHBondContact ND2-CD1 3.16Å; N182-I186 WeakPolarHBondContact O-CG1 3.43Å; N182-I186 PolarHBondContact O-N 2.79Å; Q183-I186 PolarHBondContact O-N 3.4Å; M184-I186 VanDerWaalsContact C-N 3.28Å; M184-I186 PolarHBondContact O-N 3.27Å; I186-F188 PolarHBondContact O-N 2.72Å; I186-G189 PolarHBondContact O-N 2.95Å; I186-E191 HydrophobicContact CG1-CB 4.18Å; I186-E191 HydrophobicContact CG1-CG 4.45Å; I186-E191 WeakPolarHBondContact CG1-O 3.39Å |
| 187 | L | 96.3 | Very high | 88.5 | Confident | 123 Ų | 123 | 68 Ų | 68 | 64% | 0.644 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.7 | -37.9 | 178.8 | 176.6 | 65.9 | 0 | 0 | 0 | 112 | Y67 Q183 M184 G189 | Y67-L187 HydrophobicContact CE2-CD2 4.17Å; Q183-L187 WeakPolarHBondContact O-CB 3.26Å; Q183-L187 PolarHBondContact O-N 3.37Å; M184-L187 WeakPolarHBondContact O-CB 3.39Å; M184-L187 PolarHBondContact O-N 2.91Å; M184-L187 VanDerWaalsContact O-N 3.08Å; L187-G189 VanDerWaalsContact C-N 3.32Å |
| 188 | F | 96.1 | Very high | 88.1 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 13% | 0.132 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 8.2 | 177 | -71 | -79.2 | 0 | 0 | 0 | 113.8 | Y67 L70 A71 I74 M184 I186 L190 | Y67-F188 AromaticContact CD2-CE2 3.89Å; Y67-F188 HydrophobicContact CD2-CE2 3.89Å; Y67-F188 HydrophobicContact CD2-CZ 4.21Å; Y67-F188 HydrophobicContact CE1-CZ 4.42Å; Y67-F188 AromaticContact CE2-CE2 3.77Å; Y67-F188 HydrophobicContact CE2-CE2 3.77Å; Y67-F188 AromaticContact CE2-CZ 3.82Å; Y67-F188 HydrophobicContact CE2-CZ 3.82Å; Y67-F188 AromaticContact CZ-CZ 3.94Å; L70-F188 HydrophobicContact CB-CD1 4.13Å; L70-F188 HydrophobicContact CB-CD2 3.54Å; L70-F188 HydrophobicContact CB-CE1 4.22Å; L70-F188 HydrophobicContact CB-CE2 3.62Å; L70-F188 HydrophobicContact CB-CG 3.83Å; L70-F188 HydrophobicContact CB-CZ 3.98Å; L70-F188 HydrophobicContact CD1-CD2 3.66Å; L70-F188 HydrophobicContact CD1-CE2 4.09Å; L70-F188 HydrophobicContact CD1-CG 4.43Å; L70-F188 HydrophobicContact CG-CD2 4.19Å; A71-F188 HydrophobicContact CB-CE1 4.02Å; A71-F188 HydrophobicContact CB-CZ 3.91Å; I74-F188 HydrophobicContact CB-CD1 4.3Å; I74-F188 HydrophobicContact CD1-CD1 3.77Å; I74-F188 HydrophobicContact CG2-CD1 4.46Å; I74-F188 HydrophobicContact CG2-CE1 4.49Å; M184-F188 WeakPolarHBondContact O-CD2 3.28Å; M184-F188 PolarHBondContact O-N 3.35Å; I186-F188 PolarHBondContact O-N 2.72Å; F188-L190 VanDerWaalsContact C-N 3.32Å; F188-L190 HydrophobicContact CB-CD1 4.25Å; F188-L190 PolarHBondContact O-N 2.93Å |
| 189 | G | 95 | Very high | 87.7 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 69% | 0.691 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 20.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | L185 I186 L187 | L185-G189 PolarHBondContact O-N 3.03Å; I186-G189 PolarHBondContact O-N 2.95Å; L187-G189 VanDerWaalsContact C-N 3.32Å |
| 190 | L | 95.5 | Very high | 87.3 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -99.4 | -16.1 | -176.6 | -66.9 | 167 | 0 | 0 | 0 | 113.6 | L70 I83 L86 L185 F188 | L70-L190 HydrophobicContact CD2-CD1 3.58Å; I83-L190 HydrophobicContact CD1-CD2 4.17Å; L86-L190 WeakPolarHBondContact CD1-O 3.33Å; L86-L190 VanDerWaalsContact CD2-O 3.23Å; L86-L190 WeakPolarHBondContact CD2-O 3.5Å; L185-L190 HydrophobicContact CB-CB 4.43Å; L185-L190 HydrophobicContact CD2-CB 4.08Å; L185-L190 HydrophobicContact CD2-CD1 3.88Å; L185-L190 PolarHBondContact O-N 2.9Å; F188-L190 VanDerWaalsContact C-N 3.32Å; F188-L190 HydrophobicContact CB-CD1 4.25Å; F188-L190 PolarHBondContact O-N 2.93Å |
| 191 | E | 95.6 | Very high | 86.7 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 4% | 0.042 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -134.7 | 148.1 | -179.6 | -173.4 | 61.3 | -79.1 | 0 | 0 | 111.2 | L86 K89 R90 Y126 L185 I186 | L86-E191 HydrophobicContact CD1-CB 3.99Å; L86-E191 HydrophobicContact CD1-CG 4.37Å; L86-E191 WeakPolarHBondContact CD1-OE2 3.47Å; K89-E191 WeakPolarHBondContact CE-OE2 3.32Å; K89-E191 IonicContact NZ-OE2 3.9Å; K89-E191 PolarHBondContact NZ-OE2 3.18Å; R90-E191 IonicContact CZ-OE1 2.76Å; R90-E191 IonicContact CZ-OE2 3.44Å; R90-E191 IonicContact NE-OE1 3.73Å; R90-E191 IonicContact NE-OE2 3.6Å; R90-E191 PolarHBondContact NE-OE2 3.38Å; R90-E191 IonicContact NH2-OE1 3.58Å; R90-E191 PolarHBondContact NH2-OE1 3.06Å; R90-E191 IonicContact NH2-OE2 2.84Å; R90-E191 PolarHBondContact NH2-OE2 2.91Å; Y126-E191 VanDerWaalsContact CE1-OE1 3.32Å; Y126-E191 WeakPolarHBondContact CE1-OE1 3.37Å; Y126-E191 VanDerWaalsContact OH-CD 3.24Å; Y126-E191 PolarHBondContact OH-OE1 3.38Å; Y126-E191 PolarHBondContact OH-OE2 3.06Å; L185-E191 HydrophobicContact CB-CB 3.72Å; L185-E191 PolarHBondContact O-N 2.94Å; I186-E191 HydrophobicContact CG1-CB 4.18Å; I186-E191 HydrophobicContact CG1-CG 4.45Å; I186-E191 WeakPolarHBondContact CG1-O 3.39Å |
| 192 | D | 88 | Confident | 86 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 138.3 | 177.9 | -58.7 | -43.4 | 0 | 0 | 0 | 110.2 | ||
| 193 | P | 80.7 | Confident | 85.2 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 143.9 | 165.7 | 25.1 | -31.2 | 0 | 0 | 0 | 109.4 | I195 | P193-I195 PolarHBondContact O-N 3.45Š|
| 194 | L | 66.1 | Low | 84.4 | Confident | 117 Ų | 117 | 77.2 Ų | 77.2 | 61% | 0.613 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 119.7 | 169.7 | -66.9 | 172.5 | 0 | 0 | 0 | 107 | T196 | L194-T196 VanDerWaalsContact C-N 3.26Å; L194-T196 PolarHBondContact O-N 2.86Å |
| 195 | I | 52.1 | Low | 83.3 | Confident | 172 Ų | 172 | 82.7 Ų | 82.7 | 88% | 0.882 | 48% | 0.481 | S | S | * | . | trans | -68.8 | 96.1 | 167.8 | -55.5 | 171.9 | 0 | 0 | 0 | 104.5 | P193 | P193-I195 PolarHBondContact O-N 3.45Š| ||
| 196 | T | 40 | Very low | 82 | Confident | 197 Ų | 197 | 90.2 Ų | 90.2 | 100% | 1.209 | 53% | 0.525 | S | S | * | . | trans | -67.4 | 0 | 164.7 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | L194 | L194-T196 VanDerWaalsContact C-N 3.26Å; L194-T196 PolarHBondContact O-N 2.86Å |
Retrieved 196 of 196 residues in 104.5 ms
(Link to these results)