| 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 | 70.5 | Confident | 76 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 19% | 0.192 | 24% | 0.235 | C | C | . | . | 0 | -64.8 | 0 | -77.4 | -65.1 | -170.1 | 0 | 0 | 113.2 | F3 L4 S5 Y234 S237 S238 L241 F270 | M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 2.99Å; M1-L4 PolarHBondContact O-N 2.58Å; M1-S5 PolarHBondContact O-N 3.24Å; M1-S5 PolarHBondContact O-OG 3.48Å; M1-Y234 HydrophobicContact CE-CD1 3.56Å; M1-Y234 HydrophobicContact CE-CD2 3.7Å; M1-Y234 HydrophobicContact CE-CE1 3.23Å; M1-Y234 HydrophobicContact CE-CE2 3.39Å; M1-Y234 HydrophobicContact CE-CG 3.8Å; M1-Y234 HydrophobicContact CG-CD2 4.26Å; M1-Y234 HydrophobicContact CG-CE2 4.28Å; M1-Y234 HydrophobicContact SD-CD2 3.58Å; M1-Y234 VanDerWaalsContact SD-CD2 3.58Å; M1-Y234 HydrophobicContact SD-CE1 4.1Å; M1-Y234 HydrophobicContact SD-CE2 3.06Å; M1-Y234 WeakPolarHBondContact SD-CE2 3.18Å; M1-Y234 HydrophobicContact SD-CG 4.29Å; M1-S237 WeakPolarHBondContact CB-OG 3.45Å; M1-S237 WeakPolarHBondContact CG-OG 3.42Å; M1-S238 WeakPolarHBondContact CE-OG 3.41Å; M1-L241 HydrophobicContact CB-CD1 4.3Å; M1-L241 HydrophobicContact CG-CD1 3.97Å; M1-F270 HydrophobicContact CB-CE2 4.05Å | |||
| 2 | A | 75.3 | Confident | 75.7 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -47.4 | -48.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S5 G6 F270 I273 F274 | A2-S5 WeakPolarHBondContact O-CB 3.15Å; A2-S5 PolarHBondContact O-N 3.1Å; A2-G6 PolarHBondContact O-N 3.39Å; A2-F270 HydrophobicContact CB-CD1 4.48Å; A2-F270 HydrophobicContact CB-CD2 3.66Å; A2-F270 HydrophobicContact CB-CE2 3.74Å; A2-F270 HydrophobicContact CB-CG 4.04Å; A2-F270 HydrophobicContact CB-CZ 4.18Å; A2-I273 HydrophobicContact CB-CB 3.87Å; A2-I273 HydrophobicContact CB-CG2 3.68Å; A2-F274 HydrophobicContact CB-CB 4.38Å |
| 3 | F | 76.2 | Confident | 75.8 | Confident | 126 Ų | 126 | 43.4 Ų | 43.4 | 55% | 0.553 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.1 | -48.9 | 178 | -176.6 | -92.8 | 0 | 0 | 0 | 113.3 | M1 S5 G6 F7 I273 S277 | M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 2.99Å; F3-S5 VanDerWaalsContact C-N 3.29Å; F3-S5 PolarHBondContact O-N 3.5Å; F3-G6 PolarHBondContact O-N 3.32Å; F3-F7 WeakPolarHBondContact O-CB 3.02Å; F3-F7 PolarHBondContact O-N 3.37Å; F3-I273 HydrophobicContact CB-CG2 4.44Å; F3-S277 VanDerWaalsContact CD2-CB 3.49Å; F3-S277 PolarHBondContact O-OG 2.96Å |
| 4 | L | 72.6 | Confident | 75.8 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 37% | 0.372 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.9 | -34.7 | 177.2 | -71.5 | 169 | 0 | 0 | 0 | 111.7 | M1 G8 Y234 | M1-L4 PolarHBondContact O-N 2.58Å; L4-G8 PolarHBondContact O-N 2.87Å; L4-Y234 HydrophobicContact CD1-CD2 3.64Å; L4-Y234 HydrophobicContact CD1-CE2 3.55Å |
| 5 | S | 76.1 | Confident | 75.6 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | M1 A2 F3 A9 | M1-S5 PolarHBondContact O-N 3.24Å; M1-S5 PolarHBondContact O-OG 3.48Å; A2-S5 WeakPolarHBondContact O-CB 3.15Å; A2-S5 PolarHBondContact O-N 3.1Å; F3-S5 VanDerWaalsContact C-N 3.29Å; F3-S5 PolarHBondContact O-N 3.5Å; S5-A9 VanDerWaalsContact O-CB 3.28Å; S5-A9 WeakPolarHBondContact O-CB 3.3Å; S5-A9 PolarHBondContact O-N 2.99Å |
| 6 | G | 76.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.7 | -39.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2 F3 A9 V10 F274 S277 | A2-G6 PolarHBondContact O-N 3.39Å; F3-G6 PolarHBondContact O-N 3.32Å; G6-A9 PolarHBondContact O-N 2.99Å; G6-V10 WeakPolarHBondContact O-CG2 3.37Å; G6-V10 PolarHBondContact O-N 3.35Å; G6-F274 VanDerWaalsContact CA-CD2 3.48Å; G6-F274 VanDerWaalsContact CA-CE2 3.44Å; G6-S277 WeakPolarHBondContact CA-OG 3.21Å |
| 7 | F | 77.2 | Confident | 75.1 | Confident | 81 Ų | 81 | 43 Ų | 43 | 36% | 0.355 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 169.4 | -179 | -95.4 | 0 | 0 | 0 | 111.6 | F3 A9 V10 N11 S281 | F3-F7 WeakPolarHBondContact O-CB 3.02Å; F3-F7 PolarHBondContact O-N 3.37Å; F7-A9 PolarHBondContact O-N 3.41Å; F7-V10 PolarHBondContact O-N 3.48Å; F7-N11 HydrophobicContact CD1-CB 4.19Å; F7-N11 HydrophobicContact CE1-CB 3.82Å; F7-N11 HydrophobicContact CE2-CB 4.5Å; F7-N11 HydrophobicContact CZ-CB 3.99Å; F7-N11 WeakPolarHBondContact O-CB 3.25Å; F7-N11 PolarHBondContact O-N 2.75Å; F7-S281 WeakPolarHBondContact CA-OG 3.47Å; F7-S281 WeakPolarHBondContact CD2-OG 3.41Å |
| 8 | G | 75.2 | Confident | 74.8 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L4 V10 Y12 | L4-G8 PolarHBondContact O-N 2.87Å; G8-V10 PolarHBondContact O-N 3.35Å; G8-Y12 WeakPolarHBondContact O-CB 3.42Å; G8-Y12 PolarHBondContact O-N 3.11Å |
| 9 | A | 77.9 | Confident | 74.6 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -27.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | S5 G6 F7 P13 C141 F274 | S5-A9 VanDerWaalsContact O-CB 3.28Å; S5-A9 WeakPolarHBondContact O-CB 3.3Å; S5-A9 PolarHBondContact O-N 2.99Å; G6-A9 PolarHBondContact O-N 2.99Å; F7-A9 PolarHBondContact O-N 3.41Å; A9-P13 WeakPolarHBondContact O-CD 3.1Å; A9-P13 VanDerWaalsContact O-CG 3.3Å; A9-P13 WeakPolarHBondContact O-CG 3.26Å; A9-C141 HydrophobicContact CB-CB 4.17Å; A9-C141 WeakPolarHBondContact O-CB 3.49Å; A9-C141 PolarHBondContact O-SG 2.97Å; A9-C141 VanDerWaalsContact O-SG 3.34Å; A9-F274 HydrophobicContact CB-CE2 4.08Å; A9-F274 HydrophobicContact CB-CZ 4.02Å |
| 10 | V | 79.9 | Confident | 74.4 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -98.4 | -45.4 | -179.9 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | G6 F7 G8 Y12 P13 Y14 A278 I282 L285 | G6-V10 WeakPolarHBondContact O-CG2 3.37Å; G6-V10 PolarHBondContact O-N 3.35Å; F7-V10 PolarHBondContact O-N 3.48Å; G8-V10 PolarHBondContact O-N 3.35Å; V10-Y12 VanDerWaalsContact C-N 3.34Å; V10-Y12 PolarHBondContact O-N 3.18Å; V10-P13 WeakPolarHBondContact O-CD 3.39Å; V10-Y14 WeakPolarHBondContact O-CB 3.48Å; V10-Y14 PolarHBondContact O-N 3Å; V10-A278 HydrophobicContact CG2-CB 3.97Å; V10-I282 HydrophobicContact CB-CG1 4.4Å; V10-I282 HydrophobicContact CG1-CG1 3.61Å; V10-I282 HydrophobicContact CG2-CD1 4.22Å; V10-I282 HydrophobicContact CG2-CG1 3.82Å; V10-L285 HydrophobicContact CG1-CD1 3.6Å |
| 11 | N | 78.9 | Confident | 74.2 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71 | -28.2 | -176 | -171.9 | 59.4 | 0 | 0 | 0 | 113 | F7 S15 | F7-N11 HydrophobicContact CD1-CB 4.19Å; F7-N11 HydrophobicContact CE1-CB 3.82Å; F7-N11 HydrophobicContact CE2-CB 4.5Å; F7-N11 HydrophobicContact CZ-CB 3.99Å; F7-N11 WeakPolarHBondContact O-CB 3.25Å; F7-N11 PolarHBondContact O-N 2.75Å; N11-S15 VanDerWaalsContact O-CB 3.26Å; N11-S15 WeakPolarHBondContact O-CB 3.15Å; N11-S15 PolarHBondContact O-N 3.33Å; N11-S15 PolarHBondContact O-OG 3.42Å |
| 12 | Y | 73 | Confident | 74.2 | Confident | 84 Ų | 84 | 51 Ų | 51 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.8 | -54.5 | 178.6 | -178.3 | -89.3 | 0 | 0 | 0 | 112.3 | G8 V10 Y14 S15 C16 F137 | G8-Y12 WeakPolarHBondContact O-CB 3.42Å; G8-Y12 PolarHBondContact O-N 3.11Å; V10-Y12 VanDerWaalsContact C-N 3.34Å; V10-Y12 PolarHBondContact O-N 3.18Å; Y12-Y14 VanDerWaalsContact C-N 3.26Å; Y12-Y14 PolarHBondContact O-N 3.24Å; Y12-S15 PolarHBondContact O-N 3.02Å; Y12-S15 VanDerWaalsContact O-N 3.14Å; Y12-C16 WeakPolarHBondContact O-CB 3.3Å; Y12-C16 PolarHBondContact O-N 2.75Å; Y12-C16 PolarHBondContact O-SG 3.08Å; Y12-F137 HydrophobicContact CD1-CB 3.94Å; Y12-F137 HydrophobicContact CD1-CG 4.31Å; Y12-F137 HydrophobicContact CE1-CB 3.66Å; Y12-F137 AromaticContact CE1-CD2 3.55Å; Y12-F137 HydrophobicContact CE1-CD2 3.55Å; Y12-F137 HydrophobicContact CE1-CE2 4.37Å; Y12-F137 AromaticContact CE1-CG 3.7Å; Y12-F137 HydrophobicContact CE1-CG 3.7Å |
| 13 | P | 76.4 | Confident | 74.3 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.5 | -44.3 | 172.4 | -27.2 | 34.9 | 0 | 0 | 0 | 112.7 | A9 V10 S15 C16 M17 C138 | A9-P13 WeakPolarHBondContact O-CD 3.1Å; A9-P13 VanDerWaalsContact O-CG 3.3Å; A9-P13 WeakPolarHBondContact O-CG 3.26Å; V10-P13 WeakPolarHBondContact O-CD 3.39Å; P13-S15 VanDerWaalsContact C-N 3.35Å; P13-S15 PolarHBondContact O-N 3.42Å; P13-C16 PolarHBondContact O-N 3.18Å; P13-M17 WeakPolarHBondContact O-CB 3.47Å; P13-M17 PolarHBondContact O-N 3.06Å; P13-C138 HydrophobicContact CB-CB 3.97Å; P13-C138 HydrophobicContact CG-CB 4.15Å |
| 14 | Y | 75.8 | Confident | 74.5 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 21% | 0.208 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 178 | 179.8 | -90.6 | 0 | 0 | 0 | 113.4 | V10 Y12 F20 L285 H289 | V10-Y14 WeakPolarHBondContact O-CB 3.48Å; V10-Y14 PolarHBondContact O-N 3Å; Y12-Y14 VanDerWaalsContact C-N 3.26Å; Y12-Y14 PolarHBondContact O-N 3.24Å; Y14-F20 HydrophobicContact CD2-CB 4.26Å; Y14-F20 HydrophobicContact CD2-CG 4.29Å; Y14-L285 HydrophobicContact CD1-CD1 4.35Å; Y14-L285 HydrophobicContact CD1-CD2 4Å; Y14-L285 HydrophobicContact CD2-CB 4.27Å; Y14-L285 HydrophobicContact CD2-CD1 3.73Å; Y14-L285 HydrophobicContact CD2-CD2 4.12Å; Y14-L285 HydrophobicContact CD2-CG 4.27Å; Y14-L285 HydrophobicContact CE1-CD2 3.8Å; Y14-L285 HydrophobicContact CE2-CB 4.01Å; Y14-L285 HydrophobicContact CE2-CD1 4.19Å; Y14-L285 HydrophobicContact CE2-CD2 3.82Å; Y14-L285 HydrophobicContact CE2-CG 4.23Å; Y14-L285 HydrophobicContact CG-CD1 3.76Å; Y14-L285 HydrophobicContact CG-CD2 4.15Å; Y14-H289 AromaticContact CD2-CE1 4Å; Y14-H289 AromaticContact CE2-CE1 2.91Å; Y14-H289 WeakPolarHBondContact CE2-CE1 3.29Å; Y14-H289 AromaticContact CE2-ND1 3.2Å; Y14-H289 WeakPolarHBondContact CE2-ND1 3.38Å; Y14-H289 AromaticContact CE2-NE2 3.74Å; Y14-H289 AromaticContact CZ-CE1 3.13Å; Y14-H289 AromaticContact CZ-ND1 3.4Å; Y14-H289 PolarHBondContact OH-CE1 2.94Å; Y14-H289 PolarHBondContact OH-ND1 3.16Å |
| 15 | S | 73.2 | Confident | 75 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.9 | -31.6 | -178.1 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | N11 Y12 P13 | N11-S15 VanDerWaalsContact O-CB 3.26Å; N11-S15 WeakPolarHBondContact O-CB 3.15Å; N11-S15 PolarHBondContact O-N 3.33Å; N11-S15 PolarHBondContact O-OG 3.42Å; Y12-S15 PolarHBondContact O-N 3.02Å; Y12-S15 VanDerWaalsContact O-N 3.14Å; P13-S15 VanDerWaalsContact C-N 3.35Å; P13-S15 PolarHBondContact O-N 3.42Å |
| 16 | C | 69.5 | Low | 75.5 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -92.8 | -25.8 | -173.3 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | Y12 P13 N131 | Y12-C16 WeakPolarHBondContact O-CB 3.3Å; Y12-C16 PolarHBondContact O-N 2.75Å; Y12-C16 PolarHBondContact O-SG 3.08Å; P13-C16 PolarHBondContact O-N 3.18Å; C16-N131 PolarHBondContact O-OD1 3.01Å |
| 17 | M | 73.1 | Confident | 76.1 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | trans | -90.3 | 122.1 | -170.8 | -170.6 | 171 | 163.8 | 0 | 0 | 111.7 | P13 Y19 F20 Y135 | P13-M17 WeakPolarHBondContact O-CB 3.47Å; P13-M17 PolarHBondContact O-N 3.06Å; M17-Y19 HydrophobicContact CE-CD1 4.17Å; M17-Y19 HydrophobicContact CE-CG 3.83Å; M17-Y19 PolarHBondContact O-N 3.35Å; M17-Y19 VanDerWaalsContact O-N 3.11Å; M17-F20 HydrophobicContact CB-CD2 4.2Å; M17-F20 HydrophobicContact CG-CD2 4.5Å; M17-F20 PolarHBondContact O-N 2.9Å; M17-F20 VanDerWaalsContact O-N 3.15Å; M17-F20 HydrophobicContact SD-CD2 4.31Å; M17-F20 HydrophobicContact SD-CE2 4.05Å; M17-Y135 HydrophobicContact CE-CD1 3.93Å; M17-Y135 HydrophobicContact CE-CE1 3.18Å; M17-Y135 HydrophobicContact CG-CE1 4.27Å; M17-Y135 HydrophobicContact SD-CD1 4.2Å; M17-Y135 HydrophobicContact SD-CE1 3.91Å | ||
| 18 | T | 70.1 | Confident | 76.5 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -57.5 | -23.8 | 174.8 | -59.8 | 0 | 0 | 0 | 0 | 114 | F20 A21 S122 N131 | T18-F20 PolarHBondContact O-N 2.93Å; T18-A21 HydrophobicContact CG2-CB 4.43Å; T18-A21 VanDerWaalsContact O-CB 3.22Å; T18-A21 WeakPolarHBondContact O-CB 3.41Å; T18-A21 PolarHBondContact O-N 2.95Å; T18-S122 WeakPolarHBondContact OG1-CB 3.35Å; T18-N131 PolarHBondContact N-OD1 3.39Å; T18-N131 VanDerWaalsContact OG1-CG 3.31Å; T18-N131 PolarHBondContact OG1-ND2 2.87Å; T18-N131 PolarHBondContact OG1-OD1 3.28Å |
| 19 | Y | 70.1 | Confident | 77.2 | Confident | 175 Ų | 175 | 52.5 Ų | 52.5 | 69% | 0.686 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -59.2 | -34.9 | 176.5 | -174.5 | -98.1 | 0 | 0 | 0 | 113.3 | M17 A21 | M17-Y19 HydrophobicContact CE-CD1 4.17Å; M17-Y19 HydrophobicContact CE-CG 3.83Å; M17-Y19 PolarHBondContact O-N 3.35Å; M17-Y19 VanDerWaalsContact O-N 3.11Å; Y19-A21 VanDerWaalsContact C-N 3.34Å |
| 20 | F | 70.4 | Confident | 77.9 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -91.9 | 2.7 | 175 | -61.1 | -65.2 | 0 | 0 | 0 | 112.6 | Y14 M17 T18 L22 H289 | Y14-F20 HydrophobicContact CD2-CB 4.26Å; Y14-F20 HydrophobicContact CD2-CG 4.29Å; M17-F20 HydrophobicContact CB-CD2 4.2Å; M17-F20 HydrophobicContact CG-CD2 4.5Å; M17-F20 PolarHBondContact O-N 2.9Å; M17-F20 VanDerWaalsContact O-N 3.15Å; M17-F20 HydrophobicContact SD-CD2 4.31Å; M17-F20 HydrophobicContact SD-CE2 4.05Å; T18-F20 PolarHBondContact O-N 2.93Å; F20-L22 PolarHBondContact O-N 2.99Å; F20-H289 AromaticContact CD1-NE2 3.91Å |
| 21 | A | 70.7 | Confident | 78.4 | Confident | 34 Ų | 34 | 61 Ų | 61 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -74.9 | 125.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | T18 Y19 S23 | T18-A21 HydrophobicContact CG2-CB 4.43Å; T18-A21 VanDerWaalsContact O-CB 3.22Å; T18-A21 WeakPolarHBondContact O-CB 3.41Å; T18-A21 PolarHBondContact O-N 2.95Å; Y19-A21 VanDerWaalsContact C-N 3.34Å; A21-S23 PolarHBondContact O-N 3.42Å |
| 22 | L | 71.1 | Confident | 78.9 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | trans | -55.4 | 125.5 | 173.1 | -176.7 | 67.3 | 0 | 0 | 0 | 109.2 | F20 V24 Y111 L112 A115 I119 V292 K296 | F20-L22 PolarHBondContact O-N 2.99Å; L22-V24 HydrophobicContact CD2-CG2 4.12Å; L22-V24 HydrophobicContact CG-CG2 4.17Å; L22-V24 PolarHBondContact O-N 2.87Å; L22-Y111 HydrophobicContact CD2-CE1 3.74Å; L22-L112 HydrophobicContact CD2-CD2 4.39Å; L22-A115 HydrophobicContact CB-CB 4.49Å; L22-I119 WeakPolarHBondContact O-CD1 3.43Å; L22-V292 HydrophobicContact CD1-CG1 3.88Å; L22-V292 HydrophobicContact CD2-CG1 3.98Å; L22-K296 HydrophobicContact CD1-CD 4.39Å | ||
| 23 | S | 77.2 | Confident | 80 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | trans | -72 | 115.2 | 169.9 | 54.7 | 0 | 0 | 0 | 0 | 108.9 | A21 K296 | A21-S23 PolarHBondContact O-N 3.42Å; S23-K296 PolarHBondContact O-NZ 2.88Å; S23-K296 PolarHBondContact OG-NZ 3.16Å | ||
| 24 | V | 79 | Confident | 80.8 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 14% | 0.139 | 33% | 0.334 | C | S | . | . | trans | -109.7 | 123.5 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | L22 E28 I29 L112 A115 I119 | L22-V24 HydrophobicContact CD2-CG2 4.12Å; L22-V24 HydrophobicContact CG-CG2 4.17Å; L22-V24 PolarHBondContact O-N 2.87Å; V24-E28 WeakPolarHBondContact CA-OE2 3.44Å; V24-I29 HydrophobicContact CG1-CD1 3.63Å; V24-I29 HydrophobicContact CG1-CG1 3.53Å; V24-L112 HydrophobicContact CG1-CB 4.37Å; V24-L112 HydrophobicContact CG1-CD2 4.19Å; V24-L112 HydrophobicContact CG2-CD2 4.17Å; V24-A115 HydrophobicContact CG2-CB 3.59Å; V24-I119 HydrophobicContact CB-CD1 4.37Å | ||
| 25 | S | 84 | Confident | 81.6 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -85 | 144 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | T27 E28 I29 | S25-T27 WeakPolarHBondContact CB-OG1 3.28Å; S25-T27 PolarHBondContact O-N 3.45Å; S25-T27 VanDerWaalsContact O-N 3.1Å; S25-T27 PolarHBondContact OG-N 3.02Å; S25-T27 PolarHBondContact OG-OG1 2.97Å; S25-E28 PolarHBondContact N-OE2 3.39Å; S25-E28 WeakPolarHBondContact O-CB 3.44Å; S25-E28 PolarHBondContact O-N 2.67Å; S25-I29 PolarHBondContact O-N 2.96Å | ||
| 26 | N | 87.4 | Confident | 82.6 | Confident | 103 Ų | 103 | 66.2 Ų | 66.2 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.2 | -24.3 | 171.6 | -71.2 | -48.6 | 0 | 0 | 0 | 112.4 | R30 | N26-R30 VanDerWaalsContact O-CG 3.28Å; N26-R30 WeakPolarHBondContact O-CG 3.39Å; N26-R30 PolarHBondContact O-N 3.02Å |
| 27 | T | 87.5 | Confident | 83.9 | Confident | 90 Ų | 90 | 69.8 Ų | 69.8 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.1 | -40.5 | 175.1 | 55 | 0 | 0 | 0 | 0 | 112 | S25 R30 T31 | S25-T27 WeakPolarHBondContact CB-OG1 3.28Å; S25-T27 PolarHBondContact O-N 3.45Å; S25-T27 VanDerWaalsContact O-N 3.1Å; S25-T27 PolarHBondContact OG-N 3.02Å; S25-T27 PolarHBondContact OG-OG1 2.97Å; T27-R30 PolarHBondContact O-N 3.41Å; T27-T31 WeakPolarHBondContact O-CG2 3.23Å; T27-T31 PolarHBondContact O-N 3.47Å; T27-T31 PolarHBondContact O-OG1 3.46Å |
| 28 | E | 86.6 | Confident | 84.9 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 17% | 0.173 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 179.1 | -66.4 | 166.9 | 161.3 | 0 | 0 | 111.3 | V24 S25 T31 A32 K296 | V24-E28 WeakPolarHBondContact CA-OE2 3.44Å; S25-E28 PolarHBondContact N-OE2 3.39Å; S25-E28 WeakPolarHBondContact O-CB 3.44Å; S25-E28 PolarHBondContact O-N 2.67Å; E28-T31 WeakPolarHBondContact CA-OG1 3.37Å; E28-T31 PolarHBondContact O-N 3.31Å; E28-T31 PolarHBondContact O-OG1 3.35Å; E28-A32 WeakPolarHBondContact O-CB 3.46Å; E28-A32 PolarHBondContact O-N 2.91Å; E28-K296 VanDerWaalsContact OE1-CE 3.3Å; E28-K296 WeakPolarHBondContact OE1-CE 3.23Å; E28-K296 IonicContact OE1-NZ 3.69Å |
| 29 | I | 90.1 | Very high | 86.1 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.9 | -59.9 | 179.1 | 0 | 0 | 0 | 110.1 | V24 S25 T31 A32 E33 L109 L112 Q116 | V24-I29 HydrophobicContact CG1-CD1 3.63Å; V24-I29 HydrophobicContact CG1-CG1 3.53Å; S25-I29 PolarHBondContact O-N 2.96Å; I29-T31 VanDerWaalsContact C-N 3.32Å; I29-T31 PolarHBondContact O-N 3.04Å; I29-A32 PolarHBondContact O-N 3.48Å; I29-E33 HydrophobicContact CG2-CG 4.33Å; I29-E33 WeakPolarHBondContact O-CB 3.43Å; I29-E33 VanDerWaalsContact O-CG 3.3Å; I29-E33 WeakPolarHBondContact O-CG 3.36Å; I29-E33 PolarHBondContact O-N 3.44Å; I29-L109 HydrophobicContact CG2-CD1 4.08Å; I29-L112 HydrophobicContact CG1-CB 4.27Å; I29-Q116 HydrophobicContact CD1-CB 3.9Å; I29-Q116 HydrophobicContact CD1-CG 4.16Å |
| 30 | R | 92.3 | Very high | 87.3 | Confident | 154 Ų | 154 | 67.4 Ų | 67.4 | 58% | 0.581 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.6 | -35.9 | 177.8 | -74.3 | 175.8 | 178.9 | -177.2 | 0.5 | 112.5 | N26 T27 R34 | N26-R30 VanDerWaalsContact O-CG 3.28Å; N26-R30 WeakPolarHBondContact O-CG 3.39Å; N26-R30 PolarHBondContact O-N 3.02Å; T27-R30 PolarHBondContact O-N 3.41Å; R30-R34 WeakPolarHBondContact O-CB 3.14Å; R30-R34 WeakPolarHBondContact O-CG 3.48Å; R30-R34 PolarHBondContact O-N 2.96Å |
| 31 | T | 90.8 | Very high | 88.6 | Confident | 53 Ų | 53 | 68 Ų | 68 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.1 | -42.2 | 175.9 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | T27 E28 I29 R34 R35 | T27-T31 WeakPolarHBondContact O-CG2 3.23Å; T27-T31 PolarHBondContact O-N 3.47Å; T27-T31 PolarHBondContact O-OG1 3.46Å; E28-T31 WeakPolarHBondContact CA-OG1 3.37Å; E28-T31 PolarHBondContact O-N 3.31Å; E28-T31 PolarHBondContact O-OG1 3.35Å; I29-T31 VanDerWaalsContact C-N 3.32Å; I29-T31 PolarHBondContact O-N 3.04Å; T31-R34 PolarHBondContact O-N 3.29Å; T31-R35 WeakPolarHBondContact O-CG 3.45Å; T31-R35 PolarHBondContact O-N 3.49Å |
| 32 | A | 89.6 | Confident | 89.6 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E28 I29 R34 R35 L36 L109 L112 | E28-A32 WeakPolarHBondContact O-CB 3.46Å; E28-A32 PolarHBondContact O-N 2.91Å; I29-A32 PolarHBondContact O-N 3.48Å; A32-R34 PolarHBondContact O-N 2.97Å; A32-R35 PolarHBondContact O-N 3.33Å; A32-L36 PolarHBondContact O-N 2.92Å; A32-L109 HydrophobicContact CB-CD1 4.1Å; A32-L112 HydrophobicContact CB-CD1 3.86Å |
| 33 | E | 94.2 | Very high | 90.7 | Very high | 78 Ų | 78 | 68.9 Ų | 68.9 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 173.9 | -75.9 | 175.7 | 174.1 | 0 | 0 | 111.5 | I29 L36 L37 L109 | I29-E33 HydrophobicContact CG2-CG 4.33Å; I29-E33 WeakPolarHBondContact O-CB 3.43Å; I29-E33 VanDerWaalsContact O-CG 3.3Å; I29-E33 WeakPolarHBondContact O-CG 3.36Å; I29-E33 PolarHBondContact O-N 3.44Å; E33-L36 PolarHBondContact O-N 3.45Å; E33-L37 WeakPolarHBondContact O-CB 3.2Å; E33-L37 VanDerWaalsContact O-CG 3.32Å; E33-L37 WeakPolarHBondContact O-CG 3.39Å; E33-L37 PolarHBondContact O-N 3.13Å; E33-L109 HydrophobicContact CG-CD1 3.59Å; E33-L109 HydrophobicContact CG-CD2 3.9Å; E33-L109 HydrophobicContact CG-CG 4.41Å |
| 34 | R | 94.9 | Very high | 91.6 | Very high | 158 Ų | 158 | 70 Ų | 70 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 177 | -75.7 | 172.6 | -171.2 | 175.9 | 1.9 | 112 | R30 T31 A32 L36 L37 Q38 | R30-R34 WeakPolarHBondContact O-CB 3.14Å; R30-R34 WeakPolarHBondContact O-CG 3.48Å; R30-R34 PolarHBondContact O-N 2.96Å; T31-R34 PolarHBondContact O-N 3.29Å; A32-R34 PolarHBondContact O-N 2.97Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.48Å; R34-L37 PolarHBondContact O-N 3.45Å; R34-Q38 WeakPolarHBondContact O-CB 3.32Å; R34-Q38 VanDerWaalsContact O-CG 3.23Å; R34-Q38 WeakPolarHBondContact O-CG 3.44Å; R34-Q38 PolarHBondContact O-N 3.35Å |
| 35 | R | 92.4 | Very high | 92.3 | Very high | 95 Ų | 95 | 72.8 Ų | 72.8 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.6 | -73.6 | 177.8 | -176.7 | -175.5 | 3.9 | 111.4 | T31 A32 T39 L105 | T31-R35 WeakPolarHBondContact O-CG 3.45Å; T31-R35 PolarHBondContact O-N 3.49Å; A32-R35 PolarHBondContact O-N 3.33Å; R35-T39 WeakPolarHBondContact O-CB 3.31Å; R35-T39 PolarHBondContact O-N 3.39Å; R35-T39 VanDerWaalsContact O-N 3.08Å; R35-T39 PolarHBondContact O-OG1 3.43Å; R35-L105 HydrophobicContact CB-CD2 4.4Å |
| 36 | L | 94.2 | Very high | 92.7 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 175.8 | -179.8 | 64.2 | 0 | 0 | 0 | 111.3 | A32 E33 R34 Q38 T39 V40 L105 F106 L109 | A32-L36 PolarHBondContact O-N 2.92Å; E33-L36 PolarHBondContact O-N 3.45Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.48Å; L36-Q38 PolarHBondContact O-N 3.23Å; L36-T39 PolarHBondContact O-N 2.96Å; L36-T39 VanDerWaalsContact O-N 3.17Å; L36-V40 HydrophobicContact CD1-CG2 4.36Å; L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 2.9Å; L36-L105 HydrophobicContact CD1-CB 3.99Å; L36-F106 HydrophobicContact CD1-CB 4.29Å; L36-F106 HydrophobicContact CD2-CB 4.49Å; L36-F106 HydrophobicContact CD2-CD2 4.17Å; L36-L109 HydrophobicContact CD2-CD2 3.71Å |
| 37 | L | 96 | Very high | 93 | Very high | 107 Ų | 107 | 73.5 Ų | 73.5 | 56% | 0.56 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.6 | -45.8 | 179.1 | -73.5 | 170.9 | 0 | 0 | 0 | 111.9 | E33 R34 T39 V40 D41 | E33-L37 WeakPolarHBondContact O-CB 3.2Å; E33-L37 VanDerWaalsContact O-CG 3.32Å; E33-L37 WeakPolarHBondContact O-CG 3.39Å; E33-L37 PolarHBondContact O-N 3.13Å; R34-L37 PolarHBondContact O-N 3.45Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 2.98Å; L37-V40 PolarHBondContact O-N 3.02Å; L37-D41 PolarHBondContact O-N 2.63Å |
| 38 | Q | 95.4 | Very high | 93.3 | Very high | 130 Ų | 130 | 77.8 Ų | 77.8 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 175.5 | -74.7 | 173.2 | -15.3 | 0 | 0 | 112.4 | R34 L36 D41 M42 | R34-Q38 WeakPolarHBondContact O-CB 3.32Å; R34-Q38 VanDerWaalsContact O-CG 3.23Å; R34-Q38 WeakPolarHBondContact O-CG 3.44Å; R34-Q38 PolarHBondContact O-N 3.35Å; L36-Q38 PolarHBondContact O-N 3.23Å; Q38-D41 PolarHBondContact O-N 2.64Å; Q38-M42 PolarHBondContact O-N 3.34Å |
| 39 | T | 94.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 82.9 Ų | 82.9 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | R35 L36 L37 M42 I43 L101 L105 | R35-T39 WeakPolarHBondContact O-CB 3.31Å; R35-T39 PolarHBondContact O-N 3.39Å; R35-T39 VanDerWaalsContact O-N 3.08Å; R35-T39 PolarHBondContact O-OG1 3.43Å; L36-T39 PolarHBondContact O-N 2.96Å; L36-T39 VanDerWaalsContact O-N 3.17Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 2.98Å; T39-M42 PolarHBondContact O-N 2.96Å; T39-I43 HydrophobicContact CG2-CD1 4.22Å; T39-I43 VanDerWaalsContact O-CG1 3.28Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.01Å; T39-L101 HydrophobicContact CG2-CD2 4.16Å; T39-L101 HydrophobicContact CG2-CG 4.41Å; T39-L105 HydrophobicContact CG2-CD1 4.42Å; T39-L105 WeakPolarHBondContact OG1-CD1 3.21Å |
| 40 | V | 95.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 83.8 Ų | 83.8 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L36 L37 M42 I43 L44 | L36-V40 HydrophobicContact CD1-CG2 4.36Å; L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 2.9Å; L37-V40 PolarHBondContact O-N 3.02Å; V40-M42 VanDerWaalsContact C-N 3.35Å; V40-M42 PolarHBondContact O-N 3.29Å; V40-I43 WeakPolarHBondContact O-CB 3.31Å; V40-I43 PolarHBondContact O-N 2.86Å; V40-L44 HydrophobicContact CG1-CD1 4.25Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.12Å; V40-L44 PolarHBondContact O-N 3.38Å |
| 41 | D | 96.3 | Very high | 93.3 | Very high | 94 Ų | 94 | 79 Ų | 79 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.7 | -74.2 | -25.5 | 0 | 0 | 0 | 111.7 | L37 Q38 I43 L44 V45 | L37-D41 PolarHBondContact O-N 2.63Å; Q38-D41 PolarHBondContact O-N 2.64Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.48Å; D41-L44 PolarHBondContact O-N 3.44Å; D41-V45 WeakPolarHBondContact O-CG2 3.45Å; D41-V45 PolarHBondContact O-N 3.3Å |
| 42 | M | 93.2 | Very high | 93.2 | Very high | 78 Ų | 78 | 81.1 Ų | 81.1 | 38% | 0.384 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.8 | -178.9 | 174.6 | 43.1 | 0 | 0 | 112 | Q38 T39 V40 L44 V45 K46 L98 | Q38-M42 PolarHBondContact O-N 3.34Å; T39-M42 PolarHBondContact O-N 2.96Å; V40-M42 VanDerWaalsContact C-N 3.35Å; V40-M42 PolarHBondContact O-N 3.29Å; M42-L44 VanDerWaalsContact C-N 3.34Å; M42-V45 PolarHBondContact O-N 3.03Å; M42-K46 WeakPolarHBondContact O-CG 3.36Å; M42-K46 PolarHBondContact O-N 2.85Å; M42-L98 HydrophobicContact CE-CD1 3.77Å; M42-L98 HydrophobicContact CE-CD2 3.24Å; M42-L98 HydrophobicContact CE-CG 4.12Å; M42-L98 HydrophobicContact CG-CD1 3.79Å; M42-L98 HydrophobicContact SD-CD1 3.9Å; M42-L98 HydrophobicContact SD-CD2 4.21Å |
| 43 | I | 94.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 85.6 Ų | 85.6 | 7% | 0.072 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.1 | -68 | 163.6 | 0 | 0 | 0 | 110.4 | T39 V40 D41 V45 K46 R47 L98 E99 | T39-I43 HydrophobicContact CG2-CD1 4.22Å; T39-I43 VanDerWaalsContact O-CG1 3.28Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.01Å; V40-I43 WeakPolarHBondContact O-CB 3.31Å; V40-I43 PolarHBondContact O-N 2.86Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.48Å; I43-V45 PolarHBondContact O-N 3.27Å; I43-K46 PolarHBondContact O-N 3.28Å; I43-R47 HydrophobicContact CG2-CG 4.2Å; I43-R47 WeakPolarHBondContact O-CB 3.41Å; I43-R47 WeakPolarHBondContact O-CG 3.5Å; I43-R47 PolarHBondContact O-N 3.44Å; I43-L98 HydrophobicContact CD1-CB 4.06Å; I43-L98 HydrophobicContact CG1-CB 3.57Å; I43-L98 HydrophobicContact CG1-CD1 4.25Å; I43-E99 HydrophobicContact CD1-CG 4.42Å |
| 44 | L | 94.8 | Very high | 92.5 | Very high | 101 Ų | 101 | 86 Ų | 86 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 178.7 | -71.5 | 175.4 | 0 | 0 | 0 | 111.9 | V40 D41 M42 R47 R48 | V40-L44 HydrophobicContact CG1-CD1 4.25Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.12Å; V40-L44 PolarHBondContact O-N 3.38Å; D41-L44 PolarHBondContact O-N 3.44Å; M42-L44 VanDerWaalsContact C-N 3.34Å; L44-R47 PolarHBondContact O-N 2.79Å; L44-R48 VanDerWaalsContact O-CB 3.32Å; L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.46Å |
| 45 | V | 94.4 | Very high | 92.1 | Very high | 82 Ų | 82 | 85.1 Ų | 85.1 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | D41 M42 I43 R48 R49 | D41-V45 WeakPolarHBondContact O-CG2 3.45Å; D41-V45 PolarHBondContact O-N 3.3Å; M42-V45 PolarHBondContact O-N 3.03Å; I43-V45 PolarHBondContact O-N 3.27Å; V45-R48 PolarHBondContact O-N 2.81Å; V45-R49 PolarHBondContact O-N 3.02Å |
| 46 | K | 92.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 85.5 Ų | 85.5 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 178.4 | -69.3 | -162.3 | -177.1 | -154.8 | 0 | 112.6 | M42 I43 R48 R49 L50 L91 E94 I95 L98 | M42-K46 WeakPolarHBondContact O-CG 3.36Å; M42-K46 PolarHBondContact O-N 2.85Å; I43-K46 PolarHBondContact O-N 3.28Å; K46-R48 VanDerWaalsContact C-N 3.33Å; K46-R48 PolarHBondContact O-N 3.29Å; K46-R49 PolarHBondContact O-N 3.03Å; K46-L50 PolarHBondContact O-N 3.43Å; K46-L91 HydrophobicContact CB-CD1 4.14Å; K46-L91 HydrophobicContact CD-CD1 4.16Å; K46-L91 HydrophobicContact CG-CD1 4.24Å; K46-E94 HydrophobicContact CD-CB 4.31Å; K46-E94 VanDerWaalsContact NZ-CD 3.25Å; K46-E94 IonicContact NZ-OE1 2.63Å; K46-E94 IonicContact NZ-OE2 3.34Å; K46-E94 PolarHBondContact NZ-OE2 3.23Å; K46-I95 HydrophobicContact CB-CD1 4.17Å; K46-I95 HydrophobicContact CB-CG1 3.76Å; K46-L98 HydrophobicContact CD-CD1 3.87Å |
| 47 | R | 93.2 | Very high | 91 | Very high | 131 Ų | 131 | 86.6 Ų | 86.6 | 49% | 0.494 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 173.5 | -77.9 | -175.2 | 167.7 | -156.4 | -2.3 | 111.9 | I43 L44 L50 A51 I95 E99 | I43-R47 HydrophobicContact CG2-CG 4.2Å; I43-R47 WeakPolarHBondContact O-CB 3.41Å; I43-R47 WeakPolarHBondContact O-CG 3.5Å; I43-R47 PolarHBondContact O-N 3.44Å; L44-R47 PolarHBondContact O-N 2.79Å; R47-L50 PolarHBondContact O-N 3.23Å; R47-A51 PolarHBondContact O-N 3.13Å; R47-I95 HydrophobicContact CG-CD1 4.07Å; R47-I95 HydrophobicContact CG-CG2 4.23Å; R47-E99 IonicContact CZ-OE1 3.98Å; R47-E99 IonicContact NE-OE1 2.97Å; R47-E99 PolarHBondContact NE-OE1 3.46Å; R47-E99 IonicContact NH2-OE1 3.76Å; R47-E99 PolarHBondContact NH2-OE1 2.9Å |
| 48 | R | 93.6 | Very high | 90.3 | Very high | 180 Ų | 180 | 90.5 Ų | 90.5 | 68% | 0.679 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 173.8 | -174.5 | 177.2 | -179.2 | 175.1 | 1.3 | 111.6 | L44 V45 K46 L50 A51 Q52 | L44-R48 VanDerWaalsContact O-CB 3.32Å; L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.46Å; V45-R48 PolarHBondContact O-N 2.81Å; K46-R48 VanDerWaalsContact C-N 3.33Å; K46-R48 PolarHBondContact O-N 3.29Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.4Å; R48-A51 PolarHBondContact O-N 3.22Å; R48-Q52 WeakPolarHBondContact O-CG 3.38Å; R48-Q52 PolarHBondContact O-N 2.97Å |
| 49 | R | 89.9 | Confident | 89.6 | Confident | 144 Ų | 144 | 87 Ų | 87 | 54% | 0.543 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.3 | -81.6 | -179 | 175.8 | 167.8 | -0.5 | 112 | V45 K46 A51 Q52 F53 L91 | V45-R49 PolarHBondContact O-N 3.02Å; K46-R49 PolarHBondContact O-N 3.03Å; R49-A51 VanDerWaalsContact C-N 3.34Å; R49-A51 PolarHBondContact O-N 2.9Å; R49-Q52 WeakPolarHBondContact O-CB 3.28Å; R49-Q52 PolarHBondContact O-N 3.42Å; R49-F53 HydrophobicContact CB-CE2 4.39Å; R49-F53 WeakPolarHBondContact O-CD2 3.43Å; R49-F53 PolarHBondContact O-N 3.35Å; R49-L91 HydrophobicContact CB-CD2 4.12Å |
| 50 | L | 89.6 | Confident | 88.4 | Confident | 23 Ų | 23 | 91.3 Ų | 91.3 | 12% | 0.12 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.9 | -173.7 | 71.2 | 0 | 0 | 0 | 111.6 | K46 R47 R48 Q52 F53 Q54 E88 L91 K92 I95 | K46-L50 PolarHBondContact O-N 3.43Å; R47-L50 PolarHBondContact O-N 3.23Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.4Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 3.05Å; L50-F53 PolarHBondContact O-N 2.65Å; L50-Q54 WeakPolarHBondContact O-CB 3.23Å; L50-Q54 VanDerWaalsContact O-CG 3.3Å; L50-Q54 WeakPolarHBondContact O-CG 3.49Å; L50-Q54 PolarHBondContact O-N 3.27Å; L50-E88 HydrophobicContact CD1-CG 3.67Å; L50-L91 HydrophobicContact CB-CD2 3.77Å; L50-L91 HydrophobicContact CD1-CD2 4Å; L50-L91 HydrophobicContact CD1-CG 4.49Å; L50-K92 HydrophobicContact CD1-CG 4.01Å; L50-K92 HydrophobicContact CD2-CG 3.98Å; L50-I95 HydrophobicContact CB-CD1 4.28Å; L50-I95 HydrophobicContact CD2-CD1 4.02Å |
| 51 | A | 89.4 | Confident | 87.1 | Confident | 54 Ų | 54 | 97.6 Ų | 97.6 | 45% | 0.446 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R47 R48 R49 Q54 F55 | R47-A51 PolarHBondContact O-N 3.13Å; R48-A51 PolarHBondContact O-N 3.22Å; R49-A51 VanDerWaalsContact C-N 3.34Å; R49-A51 PolarHBondContact O-N 2.9Å; A51-Q54 PolarHBondContact O-N 3.33Å; A51-F55 VanDerWaalsContact O-CB 3.29Å; A51-F55 WeakPolarHBondContact O-CB 3.38Å; A51-F55 PolarHBondContact O-N 2.99Å |
| 52 | Q | 88.5 | Confident | 85.6 | Confident | 97 Ų | 97 | 97.8 Ų | 97.8 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 174 | -74.2 | 174.2 | -40.5 | 0 | 0 | 111.5 | R48 R49 L50 Q54 F55 E56 | R48-Q52 WeakPolarHBondContact O-CG 3.38Å; R48-Q52 PolarHBondContact O-N 2.97Å; R49-Q52 WeakPolarHBondContact O-CB 3.28Å; R49-Q52 PolarHBondContact O-N 3.42Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 3.05Å; Q52-Q54 VanDerWaalsContact C-N 3.3Å; Q52-Q54 PolarHBondContact O-N 3.04Å; Q52-F55 PolarHBondContact O-N 3.46Å; Q52-F55 VanDerWaalsContact O-N 3.16Å; Q52-E56 WeakPolarHBondContact O-CG 3.14Å; Q52-E56 PolarHBondContact O-N 3.36Å |
| 53 | F | 84.7 | Confident | 84 | Confident | 97 Ų | 97 | 98.1 Ų | 98.1 | 43% | 0.425 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 176.6 | -72 | -52 | 0 | 0 | 0 | 112.7 | R49 L50 A57 L91 | R49-F53 HydrophobicContact CB-CE2 4.39Å; R49-F53 WeakPolarHBondContact O-CD2 3.43Å; R49-F53 PolarHBondContact O-N 3.35Å; L50-F53 PolarHBondContact O-N 2.65Å; F53-A57 VanDerWaalsContact O-CB 3.25Å; F53-A57 WeakPolarHBondContact O-CB 3.24Å; F53-A57 PolarHBondContact O-N 3.4Å; F53-L91 HydrophobicContact CD2-CD2 4.07Å; F53-L91 HydrophobicContact CE2-CD2 4.22Å |
| 54 | Q | 85.1 | Confident | 81.9 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 176.5 | -73 | 177.9 | -10.5 | 0 | 0 | 112.5 | L50 A51 Q52 R58 E88 | L50-Q54 WeakPolarHBondContact O-CB 3.23Å; L50-Q54 VanDerWaalsContact O-CG 3.3Å; L50-Q54 WeakPolarHBondContact O-CG 3.49Å; L50-Q54 PolarHBondContact O-N 3.27Å; A51-Q54 PolarHBondContact O-N 3.33Å; Q52-Q54 VanDerWaalsContact C-N 3.3Å; Q52-Q54 PolarHBondContact O-N 3.04Å; Q54-R58 WeakPolarHBondContact O-CB 3.36Å; Q54-R58 PolarHBondContact O-N 2.94Å; Q54-E88 PolarHBondContact NE2-OE1 3.29Å |
| 55 | F | 86.6 | Confident | 80 | Confident | 140 Ų | 140 | 105.4 Ų | 105.4 | 61% | 0.614 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -48.2 | 174.6 | -179.2 | -98.2 | 0 | 0 | 0 | 111.2 | A51 Q52 A57 R58 V59 | A51-F55 VanDerWaalsContact O-CB 3.29Å; A51-F55 WeakPolarHBondContact O-CB 3.38Å; A51-F55 PolarHBondContact O-N 2.99Å; Q52-F55 PolarHBondContact O-N 3.46Å; Q52-F55 VanDerWaalsContact O-N 3.16Å; F55-A57 PolarHBondContact O-N 3.17Å; F55-R58 WeakPolarHBondContact O-CB 2.96Å; F55-R58 PolarHBondContact O-N 3.21Å; F55-R58 VanDerWaalsContact O-N 3.08Å; F55-V59 HydrophobicContact CD1-CG2 4.1Å; F55-V59 HydrophobicContact CE1-CG2 3.7Å; F55-V59 HydrophobicContact CE2-CG2 4.18Å; F55-V59 HydrophobicContact CZ-CG2 3.74Å; F55-V59 WeakPolarHBondContact O-CG2 3.42Å; F55-V59 PolarHBondContact O-N 3.06Å |
| 56 | E | 83 | Confident | 78 | Confident | 103 Ų | 103 | 111 Ų | 111 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.6 | -72 | 173.6 | -169.3 | 0 | 0 | 111.8 | Q52 R58 V59 N60 | Q52-E56 WeakPolarHBondContact O-CG 3.14Å; Q52-E56 PolarHBondContact O-N 3.36Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 2.88Å; E56-V59 PolarHBondContact O-N 3.13Å; E56-N60 VanDerWaalsContact O-CB 3.26Å; E56-N60 WeakPolarHBondContact O-CB 3.45Å; E56-N60 VanDerWaalsContact O-CG 3.22Å; E56-N60 PolarHBondContact O-N 3.47Å; E56-N60 PolarHBondContact O-ND2 3.48Å |
| 57 | A | 79.7 | Confident | 75.8 | Confident | 48 Ų | 48 | 112.6 Ų | 112.6 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -32.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F53 F55 R61 | F53-A57 VanDerWaalsContact O-CB 3.25Å; F53-A57 WeakPolarHBondContact O-CB 3.24Å; F53-A57 PolarHBondContact O-N 3.4Å; F55-A57 PolarHBondContact O-N 3.17Å; A57-R61 VanDerWaalsContact O-CG 3.3Å; A57-R61 WeakPolarHBondContact O-CG 3.34Å; A57-R61 PolarHBondContact O-N 3.39Å |
| 58 | R | 80.7 | Confident | 73.8 | Confident | 189 Ų | 189 | 111.9 Ų | 111.9 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.7 | -45 | 176.3 | -171.9 | 176.4 | -177.3 | 174.6 | 0.3 | 111.7 | Q54 F55 E56 R61 T62 | Q54-R58 WeakPolarHBondContact O-CB 3.36Å; Q54-R58 PolarHBondContact O-N 2.94Å; F55-R58 WeakPolarHBondContact O-CB 2.96Å; F55-R58 PolarHBondContact O-N 3.21Å; F55-R58 VanDerWaalsContact O-N 3.08Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 2.88Å; R58-R61 PolarHBondContact O-N 3.44Å; R58-T62 PolarHBondContact O-N 2.84Å; R58-T62 PolarHBondContact O-OG1 2.96Å |
| 59 | V | 81.1 | Confident | 72.2 | Confident | 56 Ų | 56 | 109.6 Ų | 109.6 | 34% | 0.339 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 177 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | F55 E56 R61 T62 T63 | F55-V59 HydrophobicContact CD1-CG2 4.1Å; F55-V59 HydrophobicContact CE1-CG2 3.7Å; F55-V59 HydrophobicContact CE2-CG2 4.18Å; F55-V59 HydrophobicContact CZ-CG2 3.74Å; F55-V59 WeakPolarHBondContact O-CG2 3.42Å; F55-V59 PolarHBondContact O-N 3.06Å; E56-V59 PolarHBondContact O-N 3.13Å; V59-R61 PolarHBondContact O-N 3.05Å; V59-T62 WeakPolarHBondContact CA-OG1 3.49Å; V59-T62 PolarHBondContact O-N 3.36Å; V59-T62 PolarHBondContact O-OG1 3Å; V59-T63 PolarHBondContact O-N 3.27Å; V59-T63 VanDerWaalsContact O-N 3.11Å; V59-T63 PolarHBondContact O-OG1 3.44Å |
| 60 | N | 70.1 | Confident | 70.8 | Confident | 103 Ų | 103 | 110.7 Ų | 110.7 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.9 | -23.7 | 177.1 | -72.6 | -22 | 0 | 0 | 0 | 113.6 | E56 N64 | E56-N60 VanDerWaalsContact O-CB 3.26Å; E56-N60 WeakPolarHBondContact O-CB 3.45Å; E56-N60 VanDerWaalsContact O-CG 3.22Å; E56-N60 PolarHBondContact O-N 3.47Å; E56-N60 PolarHBondContact O-ND2 3.48Å; N60-N64 WeakPolarHBondContact O-CB 3.26Å |
| 61 | R | 67.1 | Low | 69.5 | Low | 189 Ų | 189 | 117.8 Ų | 117.8 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.9 | -37.9 | 171.4 | -77.9 | 177.4 | -170 | -175.6 | 6 | 112.1 | A57 R58 V59 | A57-R61 VanDerWaalsContact O-CG 3.3Å; A57-R61 WeakPolarHBondContact O-CG 3.34Å; A57-R61 PolarHBondContact O-N 3.39Å; R58-R61 PolarHBondContact O-N 3.44Å; V59-R61 PolarHBondContact O-N 3.05Å |
| 62 | T | 65.2 | Low | 68.1 | Low | 99 Ų | 99 | 117.4 Ų | 117.4 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.7 | -30.1 | -178.7 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | R58 V59 | R58-T62 PolarHBondContact O-N 2.84Å; R58-T62 PolarHBondContact O-OG1 2.96Å; V59-T62 WeakPolarHBondContact CA-OG1 3.49Å; V59-T62 PolarHBondContact O-N 3.36Å; V59-T62 PolarHBondContact O-OG1 3Å |
| 63 | T | 59.3 | Low | 66.9 | Low | 84 Ų | 84 | 119.5 Ų | 119.5 | 52% | 0.515 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -80.8 | -18.5 | 178.2 | 41.2 | 0 | 0 | 0 | 0 | 113.4 | V59 E65 | V59-T63 PolarHBondContact O-N 3.27Å; V59-T63 VanDerWaalsContact O-N 3.11Å; V59-T63 PolarHBondContact O-OG1 3.44Å; T63-E65 PolarHBondContact O-N 3.26Å |
| 64 | N | 52.3 | Low | 65.9 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -4.5 | -174.3 | -137.3 | -18.1 | 0 | 0 | 0 | 114.5 | N60 N72 | N60-N64 WeakPolarHBondContact O-CB 3.26Å; N64-N72 PolarHBondContact OD1-ND2 3.47Å |
| 65 | E | 54.7 | Low | 64.7 | Low | 177 Ų | 177 | 123.8 Ų | 123.8 | 83% | 0.827 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -7.8 | 178 | -77.5 | -157.9 | 155 | 0 | 0 | 114.8 | T63 | T63-E65 PolarHBondContact O-N 3.26Š|
| 66 | K | 52.4 | Low | 63.3 | Low | 200 Ų | 200 | 121.3 Ų | 121.3 | 87% | 0.87 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -128.7 | -0.2 | -171.1 | -74.9 | -171.1 | 177.8 | -179.8 | 0 | 118 | ||
| 67 | S | 45.8 | Very low | 62 | Low | 73 Ų | 73 | 121.4 Ų | 121.4 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -151.3 | 120 | 174.2 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 68 | N | 51.5 | Low | 60.9 | Low | 116 Ų | 116 | 122 Ų | 122 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | trans | 68.3 | 70 | 155.9 | -62.2 | -9.3 | 0 | 0 | 0 | 118.1 | F70 W71 N72 | N68-F70 PolarHBondContact O-N 2.88Å; N68-W71 PolarHBondContact O-N 2.83Å; N68-N72 PolarHBondContact O-N 3.36Å | ||
| 69 | T | 59.9 | Low | 59.6 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 81% | 0.81 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -43.8 | -29.8 | 167.1 | -45.1 | 0 | 0 | 0 | 0 | 114.6 | M73 | T69-M73 PolarHBondContact O-N 3.44Å |
| 70 | F | 60.2 | Low | 58 | Low | 167 Ų | 167 | 120.6 Ų | 120.6 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.9 | -39 | -173.1 | -150.8 | -97 | 0 | 0 | 0 | 114.1 | N68 | N68-F70 PolarHBondContact O-N 2.88Å |
| 71 | W | 62.7 | Low | 57.1 | Low | 172 Ų | 172 | 123.2 Ų | 123.2 | 65% | 0.652 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.3 | -28 | 178.1 | -88.9 | 96.7 | 0 | 0 | 0 | 112.7 | N68 R75 | N68-W71 PolarHBondContact O-N 2.83Å; W71-R75 PolarHBondContact O-N 2.88Å |
| 72 | N | 60.6 | Low | 56.2 | Low | 46 Ų | 46 | 118.5 Ų | 118.5 | 25% | 0.246 | 63% | 0.631 | C | S | . | * | H | α-helix | trans | -75.1 | -27.6 | 177.1 | -73.9 | -13.4 | 0 | 0 | 0 | 112.4 | N64 N68 T76 | N64-N72 PolarHBondContact OD1-ND2 3.47Å; N68-N72 PolarHBondContact O-N 3.36Å; N72-T76 WeakPolarHBondContact O-CB 3.39Å; N72-T76 PolarHBondContact O-N 3.29Å; N72-T76 PolarHBondContact O-OG1 2.64Å |
| 73 | M | 63.3 | Low | 55.6 | Low | 142 Ų | 142 | 116 Ų | 116 | 70% | 0.7 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.5 | -42.3 | 174.8 | -162.6 | 174.4 | -144.8 | 0 | 0 | 112 | T69 T76 V77 | T69-M73 PolarHBondContact O-N 3.44Å; M73-T76 PolarHBondContact O-N 2.81Å; M73-V77 WeakPolarHBondContact O-CG2 3.36Å; M73-V77 PolarHBondContact O-N 2.91Å; M73-V77 VanDerWaalsContact O-N 3.1Å |
| 74 | L | 62.4 | Low | 55.6 | Low | 121 Ų | 121 | 117 Ų | 117 | 63% | 0.634 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.4 | -36.6 | 177.8 | -106.9 | 147.1 | 0 | 0 | 0 | 113 | G78 | L74-G78 PolarHBondContact O-N 2.98Å |
| 75 | R | 59.6 | Low | 55.9 | Low | 152 Ų | 152 | 121.5 Ų | 121.5 | 57% | 0.574 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74 | -33.8 | 172.3 | -77.2 | -175.8 | 176 | 173.6 | -0.6 | 113.1 | W71 V77 G78 M79 | W71-R75 PolarHBondContact O-N 2.88Å; R75-V77 VanDerWaalsContact C-N 3.33Å; R75-V77 PolarHBondContact O-N 3.19Å; R75-G78 PolarHBondContact O-N 3.37Å; R75-M79 HydrophobicContact CG-CE 4.38Å; R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 PolarHBondContact O-N 3.28Å |
| 76 | T | 57.4 | Low | 56.3 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.7 | -35 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | N72 M73 S80 | N72-T76 WeakPolarHBondContact O-CB 3.39Å; N72-T76 PolarHBondContact O-N 3.29Å; N72-T76 PolarHBondContact O-OG1 2.64Å; M73-T76 PolarHBondContact O-N 2.81Å; T76-S80 WeakPolarHBondContact O-CB 3.5Å; T76-S80 PolarHBondContact O-N 3.35Å; T76-S80 PolarHBondContact O-OG 2.92Å |
| 77 | V | 55.7 | Low | 57.5 | Low | 106 Ų | 106 | 112.9 Ų | 112.9 | 64% | 0.642 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.2 | -30.3 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 112.7 | M73 R75 S80 | M73-V77 WeakPolarHBondContact O-CG2 3.36Å; M73-V77 PolarHBondContact O-N 2.91Å; M73-V77 VanDerWaalsContact O-N 3.1Å; R75-V77 VanDerWaalsContact C-N 3.33Å; R75-V77 PolarHBondContact O-N 3.19Å; V77-S80 PolarHBondContact O-OG 3.17Å |
| 78 | G | 57.4 | Low | 59.3 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -83 | -20.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L74 R75 | L74-G78 PolarHBondContact O-N 2.98Å; R75-G78 PolarHBondContact O-N 3.37Å |
| 79 | M | 53 | Low | 60.9 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 66% | 0.66 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -114.3 | -4.7 | -179.3 | -67.2 | 178.7 | -153 | 0 | 0 | 114.3 | R75 I81 S82 | R75-M79 HydrophobicContact CG-CE 4.38Å; R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 PolarHBondContact O-N 3.28Å; M79-I81 PolarHBondContact O-N 3.46Å; M79-S82 PolarHBondContact O-N 2.85Å |
| 80 | S | 46.9 | Very low | 62.3 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 0.9 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 114.8 | T76 V77 | T76-S80 WeakPolarHBondContact O-CB 3.5Å; T76-S80 PolarHBondContact O-N 3.35Å; T76-S80 PolarHBondContact O-OG 2.92Å; V77-S80 PolarHBondContact O-OG 3.17Å |
| 81 | I | 50.9 | Low | 63.6 | Low | 157 Ų | 157 | 105.1 Ų | 105.1 | 81% | 0.805 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -12.7 | -179.7 | -71.8 | 170.8 | 0 | 0 | 0 | 112.6 | M79 | M79-I81 PolarHBondContact O-N 3.46Š|
| 82 | S | 48.6 | Very low | 65 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -113.3 | 100.7 | 169.8 | -162.1 | 0 | 0 | 0 | 0 | 110 | M79 P84 | M79-S82 PolarHBondContact O-N 2.85Å; S82-P84 WeakPolarHBondContact O-CD 3.48Å |
| 83 | S | 53.1 | Low | 66.5 | Low | 47 Ų | 47 | 105 Ų | 105 | 33% | 0.329 | 55% | 0.553 | S | S | . | * | trans | -76.5 | 105.8 | -170.1 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | R85 I86 | S83-R85 PolarHBondContact O-N 3.34Å; S83-I86 PolarHBondContact O-N 2.97Å | ||
| 84 | P | 58.4 | Low | 67.9 | Low | 104 Ų | 104 | 101.5 Ų | 101.5 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.2 | -15.3 | 178.3 | 25.8 | -35.3 | 0 | 0 | 0 | 112.7 | S82 E88 | S82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-E88 PolarHBondContact O-N 3.49Å |
| 85 | R | 59.1 | Low | 69.4 | Low | 186 Ų | 186 | 96.2 Ų | 96.2 | 70% | 0.702 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -78.9 | -24.7 | 177.4 | -64.5 | -177.2 | 178.6 | -177.9 | 0.4 | 113.4 | S83 K89 | S83-R85 PolarHBondContact O-N 3.34Å; R85-K89 WeakPolarHBondContact O-CG 3.39Å |
| 86 | I | 62.6 | Low | 71 | Confident | 114 Ų | 114 | 91.3 Ų | 91.3 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -77.1 | -44.8 | 178.8 | -63.4 | 176.4 | 0 | 0 | 0 | 109.3 | S83 E88 K89 L90 | S83-I86 PolarHBondContact O-N 2.97Å; I86-E88 PolarHBondContact O-N 3.08Å; I86-K89 PolarHBondContact O-N 3.28Å; I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 PolarHBondContact O-N 2.76Å |
| 87 | D | 77.9 | Confident | 72.7 | Confident | 81 Ų | 81 | 90.9 Ų | 90.9 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 178.5 | -72.6 | -17.7 | 0 | 0 | 0 | 112.7 | K89 L90 L91 | D87-K89 PolarHBondContact O-N 2.86Å; D87-L90 PolarHBondContact O-N 3.17Å; D87-L91 VanDerWaalsContact O-CB 3.23Å; D87-L91 WeakPolarHBondContact O-CB 3.41Å; D87-L91 PolarHBondContact O-N 2.82Å |
| 88 | E | 83.6 | Confident | 74.6 | Confident | 59 Ų | 59 | 86.8 Ų | 86.8 | 28% | 0.276 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.3 | -166.2 | -170.7 | 168.6 | 0 | 0 | 111.9 | L50 Q54 P84 I86 K92 | L50-E88 HydrophobicContact CD1-CG 3.67Å; Q54-E88 PolarHBondContact NE2-OE1 3.29Å; P84-E88 PolarHBondContact O-N 3.49Å; I86-E88 PolarHBondContact O-N 3.08Å; E88-K92 HydrophobicContact CG-CD 4.46Å; E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.33Å; E88-K92 PolarHBondContact O-N 3.44Å; E88-K92 WeakPolarHBondContact OE1-CE 3.29Å; E88-K92 IonicContact OE1-NZ 2.67Å; E88-K92 PolarHBondContact OE1-NZ 2.92Å |
| 89 | K | 85.7 | Confident | 76.4 | Confident | 158 Ų | 158 | 86.1 Ų | 86.1 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.8 | -43.3 | 178.9 | -75.3 | -177.3 | 178.2 | -174 | 0 | 111.6 | R85 I86 D87 K92 H93 | R85-K89 WeakPolarHBondContact O-CG 3.39Å; I86-K89 PolarHBondContact O-N 3.28Å; D87-K89 PolarHBondContact O-N 2.86Å; K89-K92 PolarHBondContact O-N 2.83Å; K89-H93 PolarHBondContact O-N 3.24Å |
| 90 | L | 88.7 | Confident | 78.3 | Confident | 93 Ų | 93 | 83.8 Ų | 83.8 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 176.4 | -177.8 | 66.4 | 0 | 0 | 0 | 110.8 | I86 D87 K92 H93 E94 | I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 PolarHBondContact O-N 2.76Å; D87-L90 PolarHBondContact O-N 3.17Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.47Å; L90-H93 WeakPolarHBondContact O-CB 3.41Å; L90-H93 PolarHBondContact O-N 2.93Å; L90-H93 VanDerWaalsContact O-N 3.13Å; L90-E94 WeakPolarHBondContact O-CG 3.31Å; L90-E94 PolarHBondContact O-N 2.93Å |
| 91 | L | 88.6 | Confident | 80.6 | Confident | 16 Ų | 16 | 83.4 Ų | 83.4 | 8% | 0.084 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 180 | -169.8 | 65.8 | 0 | 0 | 0 | 112.1 | K46 R49 L50 F53 D87 E94 I95 | K46-L91 HydrophobicContact CB-CD1 4.14Å; K46-L91 HydrophobicContact CD-CD1 4.16Å; K46-L91 HydrophobicContact CG-CD1 4.24Å; R49-L91 HydrophobicContact CB-CD2 4.12Å; L50-L91 HydrophobicContact CB-CD2 3.77Å; L50-L91 HydrophobicContact CD1-CD2 4Å; L50-L91 HydrophobicContact CD1-CG 4.49Å; F53-L91 HydrophobicContact CD2-CD2 4.07Å; F53-L91 HydrophobicContact CE2-CD2 4.22Å; D87-L91 VanDerWaalsContact O-CB 3.23Å; D87-L91 WeakPolarHBondContact O-CB 3.41Å; D87-L91 PolarHBondContact O-N 2.82Å; L91-E94 PolarHBondContact O-N 2.94Å; L91-I95 HydrophobicContact CG-CD1 4.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.4Å; L91-I95 VanDerWaalsContact O-CG1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.2Å; L91-I95 PolarHBondContact O-N 3.39Å |
| 92 | K | 91.1 | Very high | 82.6 | Confident | 95 Ų | 95 | 77 Ų | 77 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 173.1 | -77.5 | 176.7 | -176.2 | 172.3 | 0 | 112.3 | L50 E88 K89 L90 I95 S96 | L50-K92 HydrophobicContact CD1-CG 4.01Å; L50-K92 HydrophobicContact CD2-CG 3.98Å; E88-K92 HydrophobicContact CG-CD 4.46Å; E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.33Å; E88-K92 PolarHBondContact O-N 3.44Å; E88-K92 WeakPolarHBondContact OE1-CE 3.29Å; E88-K92 IonicContact OE1-NZ 2.67Å; E88-K92 PolarHBondContact OE1-NZ 2.92Å; K89-K92 PolarHBondContact O-N 2.83Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.47Å; K92-I95 PolarHBondContact O-N 3.41Å; K92-S96 PolarHBondContact O-N 3.41Å; K92-S96 PolarHBondContact O-OG 2.85Å |
| 93 | H | 92.5 | Very high | 84.7 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 56% | 0.56 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 176.3 | -178.4 | -83.6 | 0 | 0 | 0 | 111.7 | K89 L90 I95 S96 V97 | K89-H93 PolarHBondContact O-N 3.24Å; L90-H93 WeakPolarHBondContact O-CB 3.41Å; L90-H93 PolarHBondContact O-N 2.93Å; L90-H93 VanDerWaalsContact O-N 3.13Å; H93-I95 VanDerWaalsContact C-N 3.33Å; H93-I95 PolarHBondContact O-N 2.87Å; H93-S96 WeakPolarHBondContact CA-OG 3.23Å; H93-S96 PolarHBondContact O-N 2.9Å; H93-S96 PolarHBondContact O-OG 2.99Å; H93-V97 WeakPolarHBondContact O-CG2 3.49Å; H93-V97 PolarHBondContact O-N 3.24Å |
| 94 | E | 92 | Very high | 86.6 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.3 | -69.6 | -177.3 | 156.9 | 0 | 0 | 112.1 | K46 L90 L91 V97 L98 | K46-E94 HydrophobicContact CD-CB 4.31Å; K46-E94 VanDerWaalsContact NZ-CD 3.25Å; K46-E94 IonicContact NZ-OE1 2.63Å; K46-E94 IonicContact NZ-OE2 3.34Å; K46-E94 PolarHBondContact NZ-OE2 3.23Å; L90-E94 WeakPolarHBondContact O-CG 3.31Å; L90-E94 PolarHBondContact O-N 2.93Å; L91-E94 PolarHBondContact O-N 2.94Å; E94-V97 PolarHBondContact O-N 3.45Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.37Å; E94-L98 PolarHBondContact O-N 2.9Å |
| 95 | I | 93.8 | Very high | 88.2 | Confident | 10 Ų | 10 | 79.9 Ų | 79.9 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.3 | -70.1 | 163.1 | 0 | 0 | 0 | 110.4 | K46 R47 L50 L91 K92 H93 V97 L98 E99 | K46-I95 HydrophobicContact CB-CD1 4.17Å; K46-I95 HydrophobicContact CB-CG1 3.76Å; R47-I95 HydrophobicContact CG-CD1 4.07Å; R47-I95 HydrophobicContact CG-CG2 4.23Å; L50-I95 HydrophobicContact CB-CD1 4.28Å; L50-I95 HydrophobicContact CD2-CD1 4.02Å; L91-I95 HydrophobicContact CG-CD1 4.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.4Å; L91-I95 VanDerWaalsContact O-CG1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.2Å; L91-I95 PolarHBondContact O-N 3.39Å; K92-I95 PolarHBondContact O-N 3.41Å; H93-I95 VanDerWaalsContact C-N 3.33Å; H93-I95 PolarHBondContact O-N 2.87Å; I95-V97 VanDerWaalsContact C-N 3.35Å; I95-V97 PolarHBondContact O-N 3.37Å; I95-L98 PolarHBondContact O-N 3.46Å; I95-E99 HydrophobicContact CG2-CG 4.27Å; I95-E99 WeakPolarHBondContact CG2-OE1 3.19Å; I95-E99 WeakPolarHBondContact O-CB 3.32Å; I95-E99 VanDerWaalsContact O-CG 3.31Å; I95-E99 WeakPolarHBondContact O-CG 3.45Å; I95-E99 PolarHBondContact O-N 3.39Å |
| 96 | S | 93.5 | Very high | 89.9 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | K92 H93 E99 D100 | K92-S96 PolarHBondContact O-N 3.41Å; K92-S96 PolarHBondContact O-OG 2.85Å; H93-S96 WeakPolarHBondContact CA-OG 3.23Å; H93-S96 PolarHBondContact O-N 2.9Å; H93-S96 PolarHBondContact O-OG 2.99Å; S96-E99 PolarHBondContact O-N 3.36Å; S96-D100 PolarHBondContact O-N 3.35Å |
| 97 | V | 94.6 | Very high | 91.2 | Very high | 79 Ų | 79 | 76.6 Ų | 76.6 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176 | 171 | 0 | 0 | 0 | 0 | 111 | H93 E94 I95 E99 D100 L101 | H93-V97 WeakPolarHBondContact O-CG2 3.49Å; H93-V97 PolarHBondContact O-N 3.24Å; E94-V97 PolarHBondContact O-N 3.45Å; I95-V97 VanDerWaalsContact C-N 3.35Å; I95-V97 PolarHBondContact O-N 3.37Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-D100 PolarHBondContact O-N 2.62Å; V97-L101 PolarHBondContact O-N 2.95Å |
| 98 | L | 94.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 74.6 Ų | 74.6 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 176.8 | -69.5 | 178.2 | 0 | 0 | 0 | 112.6 | M42 I43 K46 E94 I95 L101 S102 | M42-L98 HydrophobicContact CE-CD1 3.77Å; M42-L98 HydrophobicContact CE-CD2 3.24Å; M42-L98 HydrophobicContact CE-CG 4.12Å; M42-L98 HydrophobicContact CG-CD1 3.79Å; M42-L98 HydrophobicContact SD-CD1 3.9Å; M42-L98 HydrophobicContact SD-CD2 4.21Å; I43-L98 HydrophobicContact CD1-CB 4.06Å; I43-L98 HydrophobicContact CG1-CB 3.57Å; I43-L98 HydrophobicContact CG1-CD1 4.25Å; K46-L98 HydrophobicContact CD-CD1 3.87Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.37Å; E94-L98 PolarHBondContact O-N 2.9Å; I95-L98 PolarHBondContact O-N 3.46Å; L98-L101 HydrophobicContact CD2-CD2 4.44Å; L98-L101 PolarHBondContact O-N 3.35Å; L98-S102 WeakPolarHBondContact O-CB 3.31Å; L98-S102 PolarHBondContact O-N 2.95Å |
| 99 | E | 95 | Very high | 92 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174 | -77.5 | 175.3 | -168.4 | 0 | 0 | 111.5 | I43 R47 I95 S96 V97 S102 R103 | I43-E99 HydrophobicContact CD1-CG 4.42Å; R47-E99 IonicContact CZ-OE1 3.98Å; R47-E99 IonicContact NE-OE1 2.97Å; R47-E99 PolarHBondContact NE-OE1 3.46Å; R47-E99 IonicContact NH2-OE1 3.76Å; R47-E99 PolarHBondContact NH2-OE1 2.9Å; I95-E99 HydrophobicContact CG2-CG 4.27Å; I95-E99 WeakPolarHBondContact CG2-OE1 3.19Å; I95-E99 WeakPolarHBondContact O-CB 3.32Å; I95-E99 VanDerWaalsContact O-CG 3.31Å; I95-E99 WeakPolarHBondContact O-CG 3.45Å; I95-E99 PolarHBondContact O-N 3.39Å; S96-E99 PolarHBondContact O-N 3.36Å; V97-E99 VanDerWaalsContact C-N 3.34Å; E99-S102 WeakPolarHBondContact CA-OG 3.45Å; E99-S102 PolarHBondContact O-N 3.48Å; E99-S102 PolarHBondContact O-OG 3.28Å; E99-R103 WeakPolarHBondContact O-CG 3.42Å; E99-R103 PolarHBondContact O-N 2.94Å |
| 100 | D | 93.5 | Very high | 92.3 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 175.4 | -73.4 | -26.8 | 0 | 0 | 0 | 112.3 | S96 V97 S102 R103 Q104 | S96-D100 PolarHBondContact O-N 3.35Å; V97-D100 PolarHBondContact O-N 2.62Å; D100-S102 VanDerWaalsContact C-N 3.34Å; D100-S102 PolarHBondContact O-N 2.82Å; D100-R103 WeakPolarHBondContact O-CB 3.24Å; D100-R103 PolarHBondContact O-N 3.47Å; D100-R103 IonicContact OD1-CZ 2.64Å; D100-R103 IonicContact OD1-NH1 3.37Å; D100-R103 PolarHBondContact OD1-NH1 3.32Å; D100-Q104 PolarHBondContact O-N 2.96Å; D100-Q104 VanDerWaalsContact O-N 3.13Å |
| 101 | L | 94.2 | Very high | 92.2 | Very high | 73 Ų | 73 | 71.5 Ų | 71.5 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 171.4 | -178.8 | 66.5 | 0 | 0 | 0 | 111.7 | T39 V97 L98 R103 Q104 L105 | T39-L101 HydrophobicContact CG2-CD2 4.16Å; T39-L101 HydrophobicContact CG2-CG 4.41Å; V97-L101 PolarHBondContact O-N 2.95Å; L98-L101 HydrophobicContact CD2-CD2 4.44Å; L98-L101 PolarHBondContact O-N 3.35Å; L101-R103 VanDerWaalsContact C-N 3.27Å; L101-R103 PolarHBondContact O-N 2.85Å; L101-Q104 PolarHBondContact O-N 2.89Å; L101-Q104 VanDerWaalsContact O-N 3.17Å; L101-L105 HydrophobicContact CG-CD1 4.17Å; L101-L105 WeakPolarHBondContact O-CG 3.31Å; L101-L105 PolarHBondContact O-N 3.19Å |
| 102 | S | 94.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 178.7 | 79.6 | 0 | 0 | 0 | 0 | 112.1 | L98 E99 D100 F106 | L98-S102 WeakPolarHBondContact O-CB 3.31Å; L98-S102 PolarHBondContact O-N 2.95Å; E99-S102 WeakPolarHBondContact CA-OG 3.45Å; E99-S102 PolarHBondContact O-N 3.48Å; E99-S102 PolarHBondContact O-OG 3.28Å; D100-S102 VanDerWaalsContact C-N 3.34Å; D100-S102 PolarHBondContact O-N 2.82Å; S102-F106 VanDerWaalsContact O-CB 3.26Å; S102-F106 WeakPolarHBondContact O-CB 3.32Å; S102-F106 PolarHBondContact O-N 3.5Å |
| 103 | R | 93.5 | Very high | 92.1 | Very high | 152 Ų | 152 | 72.7 Ų | 72.7 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.4 | -43 | 175 | -72.1 | 169.6 | 176.1 | 163.2 | -3.3 | 111.4 | E99 D100 L101 F106 L107 | E99-R103 WeakPolarHBondContact O-CG 3.42Å; E99-R103 PolarHBondContact O-N 2.94Å; D100-R103 WeakPolarHBondContact O-CB 3.24Å; D100-R103 PolarHBondContact O-N 3.47Å; D100-R103 IonicContact OD1-CZ 2.64Å; D100-R103 IonicContact OD1-NH1 3.37Å; D100-R103 PolarHBondContact OD1-NH1 3.32Å; L101-R103 VanDerWaalsContact C-N 3.27Å; L101-R103 PolarHBondContact O-N 2.85Å; R103-F106 PolarHBondContact O-N 3.35Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 2.73Å |
| 104 | Q | 92.1 | Very high | 91.9 | Very high | 130 Ų | 130 | 68.9 Ų | 68.9 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.2 | -48.9 | 177.4 | -70.1 | 177.1 | -17.4 | 0 | 0 | 111.4 | D100 L101 F106 L107 E108 | D100-Q104 PolarHBondContact O-N 2.96Å; D100-Q104 VanDerWaalsContact O-N 3.13Å; L101-Q104 PolarHBondContact O-N 2.89Å; L101-Q104 VanDerWaalsContact O-N 3.17Å; Q104-F106 VanDerWaalsContact C-N 3.3Å; Q104-F106 PolarHBondContact O-N 3.41Å; Q104-L107 PolarHBondContact O-N 3.4Å; Q104-E108 PolarHBondContact O-N 2.91Å |
| 105 | L | 91.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 66.1 Ų | 66.1 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.3 | -71.2 | 172.1 | 0 | 0 | 0 | 112.4 | R35 L36 T39 L101 E108 L109 | R35-L105 HydrophobicContact CB-CD2 4.4Å; L36-L105 HydrophobicContact CD1-CB 3.99Å; T39-L105 HydrophobicContact CG2-CD1 4.42Å; T39-L105 WeakPolarHBondContact OG1-CD1 3.21Å; L101-L105 HydrophobicContact CG-CD1 4.17Å; L101-L105 WeakPolarHBondContact O-CG 3.31Å; L101-L105 PolarHBondContact O-N 3.19Å; L105-E108 PolarHBondContact O-N 2.98Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 PolarHBondContact O-N 3.42Å |
| 106 | F | 94 | Very high | 91.3 | Very high | 115 Ų | 115 | 66.6 Ų | 66.6 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.9 | 178 | -96.3 | 0 | 0 | 0 | 112.1 | L36 S102 R103 Q104 E108 L109 H110 | L36-F106 HydrophobicContact CD1-CB 4.29Å; L36-F106 HydrophobicContact CD2-CB 4.49Å; L36-F106 HydrophobicContact CD2-CD2 4.17Å; S102-F106 VanDerWaalsContact O-CB 3.26Å; S102-F106 WeakPolarHBondContact O-CB 3.32Å; S102-F106 PolarHBondContact O-N 3.5Å; R103-F106 PolarHBondContact O-N 3.35Å; Q104-F106 VanDerWaalsContact C-N 3.3Å; Q104-F106 PolarHBondContact O-N 3.41Å; F106-E108 VanDerWaalsContact C-N 3.3Å; F106-E108 PolarHBondContact O-N 3.47Å; F106-L109 PolarHBondContact O-N 2.81Å; F106-H110 VanDerWaalsContact O-CB 3.31Å; F106-H110 WeakPolarHBondContact O-CB 3.38Å; F106-H110 PolarHBondContact O-N 3.07Å |
| 107 | L | 90.4 | Very high | 90.9 | Very high | 116 Ų | 116 | 69.6 Ų | 69.6 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63 | -39 | 176.7 | -72.8 | 173.3 | 0 | 0 | 0 | 111.8 | R103 Q104 H110 Y111 | R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 2.73Å; Q104-L107 PolarHBondContact O-N 3.4Å; L107-H110 PolarHBondContact O-N 2.92Å; L107-Y111 WeakPolarHBondContact O-CB 3.42Å; L107-Y111 PolarHBondContact O-N 3.39Å |
| 108 | E | 88.5 | Confident | 90.4 | Very high | 39 Ų | 39 | 72.1 Ų | 72.1 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -48.7 | 174.8 | -169.7 | -156.3 | 142.3 | 0 | 0 | 111.9 | Q104 L105 F106 H110 Y111 L112 Y299 | Q104-E108 PolarHBondContact O-N 2.91Å; L105-E108 PolarHBondContact O-N 2.98Å; F106-E108 VanDerWaalsContact C-N 3.3Å; F106-E108 PolarHBondContact O-N 3.47Å; E108-H110 VanDerWaalsContact C-N 3.31Å; E108-H110 PolarHBondContact O-N 3.1Å; E108-Y111 WeakPolarHBondContact O-CB 3.42Å; E108-Y111 PolarHBondContact O-N 2.89Å; E108-Y111 VanDerWaalsContact O-N 3.1Å; E108-L112 PolarHBondContact O-N 2.97Å; E108-Y299 WeakPolarHBondContact OE1-CE1 3.48Å; E108-Y299 PolarHBondContact OE1-OH 3.48Å; E108-Y299 PolarHBondContact OE2-OH 2.98Å |
| 109 | L | 90.4 | Very high | 89.9 | Confident | 27 Ų | 27 | 73 Ų | 73 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 175.7 | 176.9 | 62.3 | 0 | 0 | 0 | 111.3 | I29 A32 E33 L36 L105 F106 Y111 L112 R113 | I29-L109 HydrophobicContact CG2-CD1 4.08Å; A32-L109 HydrophobicContact CB-CD1 4.1Å; E33-L109 HydrophobicContact CG-CD1 3.59Å; E33-L109 HydrophobicContact CG-CD2 3.9Å; E33-L109 HydrophobicContact CG-CG 4.41Å; L36-L109 HydrophobicContact CD2-CD2 3.71Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 PolarHBondContact O-N 3.42Å; F106-L109 PolarHBondContact O-N 2.81Å; L109-Y111 VanDerWaalsContact C-N 3.3Å; L109-Y111 PolarHBondContact O-N 3.31Å; L109-L112 PolarHBondContact O-N 3.49Å; L109-R113 WeakPolarHBondContact O-CB 3.4Å; L109-R113 PolarHBondContact O-N 3.42Å |
| 110 | H | 91.2 | Very high | 89.4 | Confident | 110 Ų | 110 | 75.4 Ų | 75.4 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 175.7 | 176.9 | -83.9 | 0 | 0 | 0 | 111.7 | F106 L107 E108 R113 T114 | F106-H110 VanDerWaalsContact O-CB 3.31Å; F106-H110 WeakPolarHBondContact O-CB 3.38Å; F106-H110 PolarHBondContact O-N 3.07Å; L107-H110 PolarHBondContact O-N 2.92Å; E108-H110 VanDerWaalsContact C-N 3.31Å; E108-H110 PolarHBondContact O-N 3.1Å; H110-R113 PolarHBondContact O-N 2.92Å; H110-T114 PolarHBondContact CE1-OG1 3.49Å; H110-T114 WeakPolarHBondContact O-CB 3.3Å; H110-T114 PolarHBondContact O-N 3.46Å; H110-T114 PolarHBondContact O-OG1 2.78Å |
| 111 | Y | 86.8 | Confident | 89 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 42% | 0.42 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 175.4 | 177 | -100.1 | 0 | 0 | 0 | 111.9 | L22 L107 E108 L109 R113 T114 A115 V292 | L22-Y111 HydrophobicContact CD2-CE1 3.74Å; L107-Y111 WeakPolarHBondContact O-CB 3.42Å; L107-Y111 PolarHBondContact O-N 3.39Å; E108-Y111 WeakPolarHBondContact O-CB 3.42Å; E108-Y111 PolarHBondContact O-N 2.89Å; E108-Y111 VanDerWaalsContact O-N 3.1Å; L109-Y111 VanDerWaalsContact C-N 3.3Å; L109-Y111 PolarHBondContact O-N 3.31Å; Y111-R113 VanDerWaalsContact C-N 3.33Å; Y111-R113 PolarHBondContact O-N 2.92Å; Y111-T114 PolarHBondContact O-N 2.83Å; Y111-A115 WeakPolarHBondContact O-CB 3.2Å; Y111-A115 PolarHBondContact O-N 2.95Å; Y111-V292 HydrophobicContact CE1-CG1 4.33Å |
| 112 | L | 88.1 | Confident | 88.4 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 176.8 | -69.3 | 176.1 | 0 | 0 | 0 | 111.9 | L22 V24 I29 A32 E108 L109 A115 Q116 | L22-L112 HydrophobicContact CD2-CD2 4.39Å; V24-L112 HydrophobicContact CG1-CB 4.37Å; V24-L112 HydrophobicContact CG1-CD2 4.19Å; V24-L112 HydrophobicContact CG2-CD2 4.17Å; I29-L112 HydrophobicContact CG1-CB 4.27Å; A32-L112 HydrophobicContact CB-CD1 3.86Å; E108-L112 PolarHBondContact O-N 2.97Å; L109-L112 PolarHBondContact O-N 3.49Å; L112-A115 PolarHBondContact O-N 3.4Å; L112-Q116 PolarHBondContact O-N 3.37Å |
| 113 | R | 90.3 | Very high | 87.9 | Confident | 118 Ų | 118 | 79.2 Ų | 79.2 | 45% | 0.445 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 177.6 | -167.8 | 61.5 | 172.7 | -169.5 | -7.5 | 112 | L109 H110 Y111 A115 Q116 E117 | L109-R113 WeakPolarHBondContact O-CB 3.4Å; L109-R113 PolarHBondContact O-N 3.42Å; H110-R113 PolarHBondContact O-N 2.92Å; Y111-R113 VanDerWaalsContact C-N 3.33Å; Y111-R113 PolarHBondContact O-N 2.92Å; R113-A115 VanDerWaalsContact C-N 3.28Å; R113-A115 PolarHBondContact O-N 2.91Å; R113-Q116 WeakPolarHBondContact O-CB 3.47Å; R113-Q116 PolarHBondContact O-N 3.33Å; R113-E117 WeakPolarHBondContact O-CG 3.34Å; R113-E117 PolarHBondContact O-N 3Å |
| 114 | T | 87.1 | Confident | 87.7 | Confident | 41 Ų | 41 | 74.9 Ų | 74.9 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | H110 Y111 E117 R118 | H110-T114 PolarHBondContact CE1-OG1 3.49Å; H110-T114 WeakPolarHBondContact O-CB 3.3Å; H110-T114 PolarHBondContact O-N 3.46Å; H110-T114 PolarHBondContact O-OG1 2.78Å; Y111-T114 PolarHBondContact O-N 2.83Å; T114-E117 PolarHBondContact O-N 3.29Å; T114-R118 WeakPolarHBondContact O-CG 3.41Å; T114-R118 PolarHBondContact O-N 3.49Å; T114-R118 VanDerWaalsContact O-N 3.15Å |
| 115 | A | 84.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 79.9 Ų | 79.9 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L22 V24 Y111 L112 R113 R118 I119 | L22-A115 HydrophobicContact CB-CB 4.49Å; V24-A115 HydrophobicContact CG2-CB 3.59Å; Y111-A115 WeakPolarHBondContact O-CB 3.2Å; Y111-A115 PolarHBondContact O-N 2.95Å; L112-A115 PolarHBondContact O-N 3.4Å; R113-A115 VanDerWaalsContact C-N 3.28Å; R113-A115 PolarHBondContact O-N 2.91Å; A115-R118 WeakPolarHBondContact O-CB 3.2Å; A115-R118 PolarHBondContact O-N 3.44Å; A115-I119 WeakPolarHBondContact O-CG1 3.37Å; A115-I119 PolarHBondContact O-N 3.41Å; A115-I119 VanDerWaalsContact O-N 3.1Å |
| 116 | Q | 88.3 | Confident | 87 | Confident | 19 Ų | 19 | 85.3 Ų | 85.3 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 172.2 | -176.5 | -172.2 | -4.1 | 0 | 0 | 111.6 | I29 L112 R113 R118 I119 E120 | I29-Q116 HydrophobicContact CD1-CB 3.9Å; I29-Q116 HydrophobicContact CD1-CG 4.16Å; L112-Q116 PolarHBondContact O-N 3.37Å; R113-Q116 WeakPolarHBondContact O-CB 3.47Å; R113-Q116 PolarHBondContact O-N 3.33Å; Q116-R118 PolarHBondContact O-N 2.88Å; Q116-I119 WeakPolarHBondContact O-CB 3.41Å; Q116-I119 PolarHBondContact O-N 3.33Å; Q116-E120 HydrophobicContact CG-CG 4.48Å; Q116-E120 PolarHBondContact NE2-OE1 3.38Å; Q116-E120 PolarHBondContact O-N 2.89Å |
| 117 | E | 86.8 | Confident | 86.5 | Confident | 111 Ų | 111 | 79.9 Ų | 79.9 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.8 | -35.4 | 178 | -73.3 | 174.6 | -172.3 | 0 | 0 | 111.9 | R113 T114 E120 F121 | R113-E117 WeakPolarHBondContact O-CG 3.34Å; R113-E117 PolarHBondContact O-N 3Å; T114-E117 PolarHBondContact O-N 3.29Å; E117-E120 PolarHBondContact O-N 3.39Å; E117-F121 VanDerWaalsContact O-CB 3.23Å; E117-F121 WeakPolarHBondContact O-CB 3.37Å; E117-F121 PolarHBondContact O-N 3.01Å |
| 118 | R | 82.8 | Confident | 86.1 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 50% | 0.498 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 174 | -71.5 | 177.1 | -174.7 | -144.1 | 6.3 | 112.5 | T114 A115 Q116 F121 S122 | T114-R118 WeakPolarHBondContact O-CG 3.41Å; T114-R118 PolarHBondContact O-N 3.49Å; T114-R118 VanDerWaalsContact O-N 3.15Å; A115-R118 WeakPolarHBondContact O-CB 3.2Å; A115-R118 PolarHBondContact O-N 3.44Å; Q116-R118 PolarHBondContact O-N 2.88Å; R118-F121 PolarHBondContact O-N 3.37Å; R118-S122 WeakPolarHBondContact O-CB 3.45Å; R118-S122 PolarHBondContact O-N 3.44Å |
| 119 | I | 83.5 | Confident | 86 | Confident | 38 Ų | 38 | 85.7 Ų | 85.7 | 20% | 0.195 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 175.2 | -62.6 | 168.7 | 0 | 0 | 0 | 109.6 | L22 V24 A115 Q116 S122 K123 | L22-I119 WeakPolarHBondContact O-CD1 3.43Å; V24-I119 HydrophobicContact CB-CD1 4.37Å; A115-I119 WeakPolarHBondContact O-CG1 3.37Å; A115-I119 PolarHBondContact O-N 3.41Å; A115-I119 VanDerWaalsContact O-N 3.1Å; Q116-I119 WeakPolarHBondContact O-CB 3.41Å; Q116-I119 PolarHBondContact O-N 3.33Å; I119-S122 PolarHBondContact O-N 2.98Å; I119-S122 PolarHBondContact O-OG 3.09Å; I119-K123 PolarHBondContact O-N 3.21Å |
| 120 | E | 86 | Confident | 85.5 | Confident | 99 Ų | 99 | 88 Ų | 88 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.5 | -70.8 | 178.3 | -174.1 | 0 | 0 | 111.6 | Q116 E117 S122 K123 | Q116-E120 HydrophobicContact CG-CG 4.48Å; Q116-E120 PolarHBondContact NE2-OE1 3.38Å; Q116-E120 PolarHBondContact O-N 2.89Å; E117-E120 PolarHBondContact O-N 3.39Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 2.88Å; E120-K123 WeakPolarHBondContact O-CB 3.33Å; E120-K123 PolarHBondContact O-N 2.96Å; E120-K123 VanDerWaalsContact O-N 3.13Å |
| 121 | F | 84.2 | Confident | 85.1 | Confident | 92 Ų | 92 | 84 Ų | 84 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 173.7 | -178 | -101.3 | 0 | 0 | 0 | 111.4 | E117 R118 K123 T124 K126 G127 F130 | E117-F121 VanDerWaalsContact O-CB 3.23Å; E117-F121 WeakPolarHBondContact O-CB 3.37Å; E117-F121 PolarHBondContact O-N 3.01Å; R118-F121 PolarHBondContact O-N 3.37Å; F121-K123 PolarHBondContact O-N 3.45Å; F121-T124 WeakPolarHBondContact O-CB 2.96Å; F121-T124 PolarHBondContact O-N 3.4Å; F121-T124 PolarHBondContact O-OG1 3.06Å; F121-K126 HydrophobicContact CE2-CD 4.19Å; F121-K126 HydrophobicContact CE2-CG 4.35Å; F121-K126 HydrophobicContact CZ-CD 4.25Å; F121-K126 HydrophobicContact CZ-CG 4.07Å; F121-G127 VanDerWaalsContact O-CA 3.3Å; F121-G127 WeakPolarHBondContact O-CA 3.41Å; F121-F130 HydrophobicContact CE1-CD2 4.36Å; F121-F130 HydrophobicContact CZ-CD2 4.13Å |
| 122 | S | 81.8 | Confident | 85 | Confident | 16 Ų | 16 | 83 Ų | 83 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.8 | -24.8 | 179.4 | 77.7 | 0 | 0 | 0 | 0 | 114.1 | T18 R118 I119 E120 | T18-S122 WeakPolarHBondContact OG1-CB 3.35Å; R118-S122 WeakPolarHBondContact O-CB 3.45Å; R118-S122 PolarHBondContact O-N 3.44Å; I119-S122 PolarHBondContact O-N 2.98Å; I119-S122 PolarHBondContact O-OG 3.09Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 2.88Å |
| 123 | K | 83.7 | Confident | 84.6 | Confident | 152 Ų | 152 | 84.2 Ų | 84.2 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -76.1 | -24.5 | 175.2 | -66.6 | 175.5 | -178.5 | 176.7 | 0 | 112.7 | I119 E120 F121 | I119-K123 PolarHBondContact O-N 3.21Å; E120-K123 WeakPolarHBondContact O-CB 3.33Å; E120-K123 PolarHBondContact O-N 2.96Å; E120-K123 VanDerWaalsContact O-N 3.13Å; F121-K123 PolarHBondContact O-N 3.45Å |
| 124 | T | 88.9 | Confident | 84 | Confident | 61 Ų | 61 | 78.6 Ų | 78.6 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -67.1 | 155.9 | 178.3 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | F121 K126 G127 K128 | F121-T124 WeakPolarHBondContact O-CB 2.96Å; F121-T124 PolarHBondContact O-N 3.4Å; F121-T124 PolarHBondContact O-OG1 3.06Å; T124-K126 PolarHBondContact O-N 3.4Å; T124-G127 WeakPolarHBondContact O-CA 3.34Å; T124-G127 PolarHBondContact O-N 3.39Å; T124-G127 PolarHBondContact OG1-N 3.28Å; T124-K128 PolarHBondContact O-N 3.17Å |
| 125 | W | 86 | Confident | 83.7 | Confident | 235 Ų | 235 | 82.6 Ų | 82.6 | 89% | 0.89 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57 | -40.5 | 175.4 | -75.8 | 72.1 | 0 | 0 | 0 | 112.2 | K128 Y129 | W125-K128 PolarHBondContact O-N 3.06Å; W125-Y129 PolarHBondContact O-N 3.03Å; W125-Y129 VanDerWaalsContact O-N 3.11Å |
| 126 | K | 83.2 | Confident | 83.6 | Confident | 134 Ų | 134 | 89.2 Ų | 89.2 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 173.6 | -172.2 | 175.5 | 178.5 | -178.9 | 0 | 111 | F121 T124 Y129 F130 | F121-K126 HydrophobicContact CE2-CD 4.19Å; F121-K126 HydrophobicContact CE2-CG 4.35Å; F121-K126 HydrophobicContact CZ-CD 4.25Å; F121-K126 HydrophobicContact CZ-CG 4.07Å; T124-K126 PolarHBondContact O-N 3.4Å; K126-Y129 WeakPolarHBondContact O-CB 3.33Å; K126-Y129 PolarHBondContact O-N 3.17Å; K126-F130 HydrophobicContact CD-CE2 4.28Å; K126-F130 HydrophobicContact CG-CD2 3.83Å; K126-F130 HydrophobicContact CG-CE2 3.66Å; K126-F130 WeakPolarHBondContact O-CD2 3.39Å; K126-F130 PolarHBondContact O-N 3.18Å |
| 127 | G | 83 | Confident | 83 | Confident | 1 Ų | 1 | 92.1 Ų | 92.1 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F121 T124 Y129 F130 N131 | F121-G127 VanDerWaalsContact O-CA 3.3Å; F121-G127 WeakPolarHBondContact O-CA 3.41Å; T124-G127 WeakPolarHBondContact O-CA 3.34Å; T124-G127 PolarHBondContact O-N 3.39Å; T124-G127 PolarHBondContact OG1-N 3.28Å; G127-Y129 VanDerWaalsContact C-N 3.31Å; G127-Y129 PolarHBondContact O-N 3.44Å; G127-F130 PolarHBondContact O-N 3.33Å; G127-N131 WeakPolarHBondContact O-CB 3.44Å; G127-N131 PolarHBondContact O-N 3.2Å |
| 128 | K | 84 | Confident | 82.7 | Confident | 129 Ų | 129 | 88.3 Ų | 88.3 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59 | -42 | 174.9 | -69.8 | -177.6 | -179.3 | -178 | 0 | 112.2 | T124 W125 N131 C132 | T124-K128 PolarHBondContact O-N 3.17Å; W125-K128 PolarHBondContact O-N 3.06Å; K128-N131 PolarHBondContact O-N 3.22Å; K128-C132 WeakPolarHBondContact O-CB 3.44Å; K128-C132 PolarHBondContact O-N 3.22Å |
| 129 | Y | 85.6 | Confident | 82.6 | Confident | 148 Ų | 148 | 84.1 Ų | 84.1 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -48.3 | 174.7 | 175.3 | -99.9 | 0 | 0 | 0 | 112.1 | W125 K126 G127 N131 C132 L133 | W125-Y129 PolarHBondContact O-N 3.03Å; W125-Y129 VanDerWaalsContact O-N 3.11Å; K126-Y129 WeakPolarHBondContact O-CB 3.33Å; K126-Y129 PolarHBondContact O-N 3.17Å; G127-Y129 VanDerWaalsContact C-N 3.31Å; G127-Y129 PolarHBondContact O-N 3.44Å; Y129-N131 VanDerWaalsContact C-N 3.34Å; Y129-N131 PolarHBondContact O-N 3.37Å; Y129-C132 PolarHBondContact O-N 3.29Å; Y129-L133 HydrophobicContact CD1-CD1 3.96Å; Y129-L133 HydrophobicContact CE1-CD1 3.31Å; Y129-L133 HydrophobicContact CE1-CG 4.1Å; Y129-L133 HydrophobicContact CE2-CD1 4.37Å; Y129-L133 HydrophobicContact CE2-CG 4.39Å; Y129-L133 PolarHBondContact O-N 3.44Å |
| 130 | F | 80.7 | Confident | 82.5 | Confident | 77 Ų | 77 | 88.3 Ų | 88.3 | 34% | 0.338 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 177.1 | -83.6 | -72.8 | 0 | 0 | 0 | 113.1 | F121 K126 G127 G134 | F121-F130 HydrophobicContact CE1-CD2 4.36Å; F121-F130 HydrophobicContact CZ-CD2 4.13Å; K126-F130 HydrophobicContact CD-CE2 4.28Å; K126-F130 HydrophobicContact CG-CD2 3.83Å; K126-F130 HydrophobicContact CG-CE2 3.66Å; K126-F130 WeakPolarHBondContact O-CD2 3.39Å; K126-F130 PolarHBondContact O-N 3.18Å; G127-F130 PolarHBondContact O-N 3.33Å; F130-G134 PolarHBondContact O-N 2.84Å |
| 131 | N | 81.9 | Confident | 82.4 | Confident | 24 Ų | 24 | 84.2 Ų | 84.2 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173 | -85.9 | -29.1 | 0 | 0 | 0 | 111.3 | C16 T18 G127 K128 Y129 L133 G134 Y135 | C16-N131 PolarHBondContact O-OD1 3.01Å; T18-N131 PolarHBondContact N-OD1 3.39Å; T18-N131 VanDerWaalsContact OG1-CG 3.31Å; T18-N131 PolarHBondContact OG1-ND2 2.87Å; T18-N131 PolarHBondContact OG1-OD1 3.28Å; G127-N131 WeakPolarHBondContact O-CB 3.44Å; G127-N131 PolarHBondContact O-N 3.2Å; K128-N131 PolarHBondContact O-N 3.22Å; Y129-N131 VanDerWaalsContact C-N 3.34Å; Y129-N131 PolarHBondContact O-N 3.37Å; N131-L133 PolarHBondContact O-N 3.3Å; N131-G134 CarbonylContact O-C 3.6Å; N131-G134 WeakPolarHBondContact O-CA 3.36Å; N131-G134 PolarHBondContact O-N 3.4Å; N131-Y135 WeakPolarHBondContact O-CD2 3.31Å; N131-Y135 PolarHBondContact O-N 3.38Å |
| 132 | C | 84.7 | Confident | 82.4 | Confident | 86 Ų | 86 | 83.4 Ų | 83.4 | 58% | 0.581 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.4 | -46.9 | 177.4 | -177 | 0 | 0 | 0 | 0 | 111.6 | K128 Y129 G134 Y135 F136 | K128-C132 WeakPolarHBondContact O-CB 3.44Å; K128-C132 PolarHBondContact O-N 3.22Å; Y129-C132 PolarHBondContact O-N 3.29Å; C132-G134 VanDerWaalsContact C-N 3.28Å; C132-G134 PolarHBondContact O-N 3.18Å; C132-Y135 PolarHBondContact O-N 3.24Å; C132-F136 PolarHBondContact O-N 3.43Å; C132-F136 VanDerWaalsContact O-N 3.15Å |
| 133 | L | 79.8 | Confident | 82.5 | Confident | 46 Ų | 46 | 89.9 Ų | 89.9 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 171.7 | -73.9 | -178.3 | 0 | 0 | 0 | 111.8 | Y129 N131 Y135 F136 F137 | Y129-L133 HydrophobicContact CD1-CD1 3.96Å; Y129-L133 HydrophobicContact CE1-CD1 3.31Å; Y129-L133 HydrophobicContact CE1-CG 4.1Å; Y129-L133 HydrophobicContact CE2-CD1 4.37Å; Y129-L133 HydrophobicContact CE2-CG 4.39Å; Y129-L133 PolarHBondContact O-N 3.44Å; N131-L133 PolarHBondContact O-N 3.3Å; L133-Y135 VanDerWaalsContact C-N 3.33Å; L133-Y135 PolarHBondContact O-N 2.93Å; L133-F136 PolarHBondContact O-N 3.13Å; L133-F137 HydrophobicContact CB-CD2 4.32Å; L133-F137 HydrophobicContact CB-CE2 4.42Å; L133-F137 WeakPolarHBondContact O-CD2 3.39Å; L133-F137 PolarHBondContact O-N 3.36Å |
| 134 | G | 78.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -55.2 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F130 N131 C132 F137 C138 | F130-G134 PolarHBondContact O-N 2.84Å; N131-G134 CarbonylContact O-C 3.6Å; N131-G134 WeakPolarHBondContact O-CA 3.36Å; N131-G134 PolarHBondContact O-N 3.4Å; C132-G134 VanDerWaalsContact C-N 3.28Å; C132-G134 PolarHBondContact O-N 3.18Å; G134-F137 PolarHBondContact O-N 3.05Å; G134-C138 VanDerWaalsContact O-CB 3.23Å; G134-C138 WeakPolarHBondContact O-CB 3.04Å; G134-C138 PolarHBondContact O-N 3.11Å |
| 135 | Y | 80.9 | Confident | 82 | Confident | 125 Ų | 125 | 84.1 Ų | 84.1 | 49% | 0.49 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.6 | -74.4 | -76.5 | 0 | 0 | 0 | 112.6 | M17 N131 C132 L133 C138 G139 | M17-Y135 HydrophobicContact CE-CD1 3.93Å; M17-Y135 HydrophobicContact CE-CE1 3.18Å; M17-Y135 HydrophobicContact CG-CE1 4.27Å; M17-Y135 HydrophobicContact SD-CD1 4.2Å; M17-Y135 HydrophobicContact SD-CE1 3.91Å; N131-Y135 WeakPolarHBondContact O-CD2 3.31Å; N131-Y135 PolarHBondContact O-N 3.38Å; C132-Y135 PolarHBondContact O-N 3.24Å; L133-Y135 VanDerWaalsContact C-N 3.33Å; L133-Y135 PolarHBondContact O-N 2.93Å; Y135-C138 WeakPolarHBondContact O-CB 3.07Å; Y135-C138 PolarHBondContact O-N 2.92Å; Y135-G139 PolarHBondContact O-N 2.9Å |
| 136 | F | 82.8 | Confident | 82 | Confident | 148 Ų | 148 | 78.5 Ų | 78.5 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.1 | -48.2 | 177 | 178.4 | -94.9 | 0 | 0 | 0 | 111.6 | C132 L133 C138 G139 Y140 | C132-F136 PolarHBondContact O-N 3.43Å; C132-F136 VanDerWaalsContact O-N 3.15Å; L133-F136 PolarHBondContact O-N 3.13Å; F136-C138 VanDerWaalsContact C-N 3.31Å; F136-C138 PolarHBondContact O-N 2.79Å; F136-G139 PolarHBondContact O-N 3.05Å; F136-Y140 PolarHBondContact O-N 3.2Å |
| 137 | F | 74.4 | Confident | 81.8 | Confident | 80 Ų | 80 | 75 Ų | 75 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.7 | -80.5 | -66.5 | 0 | 0 | 0 | 112.3 | Y12 L133 G134 Y140 C141 | Y12-F137 HydrophobicContact CD1-CB 3.94Å; Y12-F137 HydrophobicContact CD1-CG 4.31Å; Y12-F137 HydrophobicContact CE1-CB 3.66Å; Y12-F137 AromaticContact CE1-CD2 3.55Å; Y12-F137 HydrophobicContact CE1-CD2 3.55Å; Y12-F137 HydrophobicContact CE1-CE2 4.37Å; Y12-F137 AromaticContact CE1-CG 3.7Å; Y12-F137 HydrophobicContact CE1-CG 3.7Å; L133-F137 HydrophobicContact CB-CD2 4.32Å; L133-F137 HydrophobicContact CB-CE2 4.42Å; L133-F137 WeakPolarHBondContact O-CD2 3.39Å; L133-F137 PolarHBondContact O-N 3.36Å; G134-F137 PolarHBondContact O-N 3.05Å; F137-Y140 PolarHBondContact O-N 2.75Å; F137-C141 WeakPolarHBondContact O-CB 3.34Å; F137-C141 PolarHBondContact O-N 3.44Å; F137-C141 PolarHBondContact O-SG 3.18Å |
| 138 | C | 80.3 | Confident | 81.6 | Confident | 32 Ų | 32 | 75 Ų | 75 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | P13 G134 Y135 F136 Y140 C141 C142 | P13-C138 HydrophobicContact CB-CB 3.97Å; P13-C138 HydrophobicContact CG-CB 4.15Å; G134-C138 VanDerWaalsContact O-CB 3.23Å; G134-C138 WeakPolarHBondContact O-CB 3.04Å; G134-C138 PolarHBondContact O-N 3.11Å; Y135-C138 WeakPolarHBondContact O-CB 3.07Å; Y135-C138 PolarHBondContact O-N 2.92Å; F136-C138 VanDerWaalsContact C-N 3.31Å; F136-C138 PolarHBondContact O-N 2.79Å; C138-Y140 VanDerWaalsContact C-N 3.33Å; C138-Y140 PolarHBondContact O-N 3.27Å; C138-C141 PolarHBondContact O-N 3.04Å; C138-C141 VanDerWaalsContact O-N 3.12Å; C138-C142 PolarHBondContact O-N 2.83Å; C138-C142 PolarHBondContact O-SG 2.92Å; C138-C142 VanDerWaalsContact O-SG 3.38Å |
| 139 | G | 82 | Confident | 81.6 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.6 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y135 F136 C141 C142 W143 | Y135-G139 PolarHBondContact O-N 2.9Å; F136-G139 PolarHBondContact O-N 3.05Å; G139-C141 PolarHBondContact O-N 3.19Å; G139-C142 PolarHBondContact O-N 3.39Å; G139-W143 WeakPolarHBondContact O-CB 3.37Å; G139-W143 PolarHBondContact O-N 3.3Å |
| 140 | Y | 80.7 | Confident | 81.5 | Confident | 125 Ų | 125 | 66.8 Ų | 66.8 | 49% | 0.49 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 174.4 | 174.3 | -95.3 | 0 | 0 | 0 | 112.8 | F136 F137 C138 W143 K144 | F136-Y140 PolarHBondContact O-N 3.2Å; F137-Y140 PolarHBondContact O-N 2.75Å; C138-Y140 VanDerWaalsContact C-N 3.33Å; C138-Y140 PolarHBondContact O-N 3.27Å; Y140-W143 PolarHBondContact O-N 2.88Å; Y140-K144 HydrophobicContact CE1-CD 4.24Å; Y140-K144 WeakPolarHBondContact O-CB 3.31Å; Y140-K144 PolarHBondContact O-N 3.22Å |
| 141 | C | 83.6 | Confident | 81.3 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 178.9 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | A9 F137 C138 G139 K144 I145 | A9-C141 HydrophobicContact CB-CB 4.17Å; A9-C141 WeakPolarHBondContact O-CB 3.49Å; A9-C141 PolarHBondContact O-SG 2.97Å; A9-C141 VanDerWaalsContact O-SG 3.34Å; F137-C141 WeakPolarHBondContact O-CB 3.34Å; F137-C141 PolarHBondContact O-N 3.44Å; F137-C141 PolarHBondContact O-SG 3.18Å; C138-C141 PolarHBondContact O-N 3.04Å; C138-C141 VanDerWaalsContact O-N 3.12Å; G139-C141 PolarHBondContact O-N 3.19Å; C141-K144 PolarHBondContact O-N 3.43Å; C141-I145 VanDerWaalsContact O-CG1 3.32Å; C141-I145 WeakPolarHBondContact O-CG1 3.46Å; C141-I145 PolarHBondContact O-N 3.34Å |
| 142 | C | 85.2 | Confident | 81.2 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 51% | 0.507 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 173 | -70.5 | 0 | 0 | 0 | 0 | 111.3 | C138 G139 K144 I145 F146 | C138-C142 PolarHBondContact O-N 2.83Å; C138-C142 PolarHBondContact O-SG 2.92Å; C138-C142 VanDerWaalsContact O-SG 3.38Å; G139-C142 PolarHBondContact O-N 3.39Å; C142-K144 VanDerWaalsContact C-N 3.33Å; C142-K144 PolarHBondContact O-N 3.33Å; C142-I145 PolarHBondContact O-N 3.39Å; C142-F146 WeakPolarHBondContact O-CB 3.46Å; C142-F146 PolarHBondContact O-N 3.27Å |
| 143 | W | 84.4 | Confident | 81.2 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 58% | 0.576 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.4 | -42.8 | 175.1 | 176.7 | -102.6 | 0 | 0 | 0 | 112.3 | G139 Y140 F146 I147 | G139-W143 WeakPolarHBondContact O-CB 3.37Å; G139-W143 PolarHBondContact O-N 3.3Å; Y140-W143 PolarHBondContact O-N 2.88Å; W143-F146 HydrophobicContact CZ3-CD1 4.5Å; W143-F146 PolarHBondContact O-N 2.94Å; W143-I147 HydrophobicContact CD2-CD1 4.33Å; W143-I147 HydrophobicContact CD2-CG1 4.44Å; W143-I147 VanDerWaalsContact CE2-CD1 3.43Å; W143-I147 HydrophobicContact CZ2-CD1 3.66Å; W143-I147 HydrophobicContact CZ2-CG1 4.17Å; W143-I147 PolarHBondContact O-N 3.19Å |
| 144 | K | 79.5 | Confident | 80.7 | Confident | 59 Ų | 59 | 72 Ų | 72 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 177.7 | -173.3 | 177.2 | 179.1 | 174.8 | 0 | 112.1 | Y140 C141 C142 S148 F274 | Y140-K144 HydrophobicContact CE1-CD 4.24Å; Y140-K144 WeakPolarHBondContact O-CB 3.31Å; Y140-K144 PolarHBondContact O-N 3.22Å; C141-K144 PolarHBondContact O-N 3.43Å; C142-K144 VanDerWaalsContact C-N 3.33Å; C142-K144 PolarHBondContact O-N 3.33Å; K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 3.15Å; K144-S148 PolarHBondContact O-OG 2.92Å; K144-F274 HydrophobicContact CD-CE1 4.48Å; K144-F274 HydrophobicContact CD-CE2 4.23Å; K144-F274 HydrophobicContact CD-CZ 3.83Å; K144-F274 HydrophobicContact CG-CE1 4.19Å; K144-F274 HydrophobicContact CG-CZ 3.98Å |
| 145 | I | 82.5 | Confident | 80.3 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 17% | 0.169 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 174.2 | -69.7 | 166.7 | 0 | 0 | 0 | 109.7 | C141 C142 S148 I149 F274 L275 A278 | C141-I145 VanDerWaalsContact O-CG1 3.32Å; C141-I145 WeakPolarHBondContact O-CG1 3.46Å; C141-I145 PolarHBondContact O-N 3.34Å; C142-I145 PolarHBondContact O-N 3.39Å; I145-S148 PolarHBondContact O-N 3.41Å; I145-I149 HydrophobicContact CG2-CD1 3.83Å; I145-I149 VanDerWaalsContact O-CG1 3.3Å; I145-I149 WeakPolarHBondContact O-CG1 3.06Å; I145-I149 PolarHBondContact O-N 3.47Å; I145-F274 HydrophobicContact CG1-CE1 4.04Å; I145-F274 HydrophobicContact CG1-CZ 4.31Å; I145-L275 HydrophobicContact CG2-CD1 4.08Å; I145-A278 HydrophobicContact CD1-CB 4.36Å |
| 146 | F | 85.8 | Confident | 79.2 | Confident | 117 Ų | 117 | 79.1 Ų | 79.1 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59 | -50.1 | 177.2 | 178.3 | -101.1 | 0 | 0 | 0 | 112.3 | C142 W143 S148 I149 V150 | C142-F146 WeakPolarHBondContact O-CB 3.46Å; C142-F146 PolarHBondContact O-N 3.27Å; W143-F146 HydrophobicContact CZ3-CD1 4.5Å; W143-F146 PolarHBondContact O-N 2.94Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 3.47Å; F146-I149 WeakPolarHBondContact O-CB 3.35Å; F146-I149 PolarHBondContact O-N 2.76Å; F146-V150 HydrophobicContact CD1-CG2 4.24Å; F146-V150 HydrophobicContact CE1-CG2 3.85Å; F146-V150 HydrophobicContact CE2-CG2 4.17Å; F146-V150 HydrophobicContact CZ-CG2 3.81Å; F146-V150 VanDerWaalsContact O-CG2 3.32Å; F146-V150 WeakPolarHBondContact O-CG2 3.41Å; F146-V150 PolarHBondContact O-N 3.11Å |
| 147 | I | 78.4 | Confident | 77.9 | Confident | 60 Ų | 60 | 75.8 Ų | 75.8 | 31% | 0.308 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59 | -42 | 175 | -78.4 | -171.6 | 0 | 0 | 0 | 111.3 | W143 I149 V150 N151 | W143-I147 HydrophobicContact CD2-CD1 4.33Å; W143-I147 HydrophobicContact CD2-CG1 4.44Å; W143-I147 VanDerWaalsContact CE2-CD1 3.43Å; W143-I147 HydrophobicContact CZ2-CD1 3.66Å; W143-I147 HydrophobicContact CZ2-CG1 4.17Å; W143-I147 PolarHBondContact O-N 3.19Å; I147-I149 VanDerWaalsContact C-N 3.31Å; I147-I149 PolarHBondContact O-N 3.3Å; I147-V150 PolarHBondContact O-N 2.94Å; I147-N151 WeakPolarHBondContact O-CB 3.28Å; I147-N151 PolarHBondContact O-N 2.8Å; I147-N151 PolarHBondContact O-OD1 2.91Å |
| 148 | S | 79.1 | Confident | 76.9 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 111 | K144 I145 F146 N151 I152 | K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 3.15Å; K144-S148 PolarHBondContact O-OG 2.92Å; I145-S148 PolarHBondContact O-N 3.41Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 3.47Å; S148-N151 PolarHBondContact O-N 2.83Å; S148-I152 WeakPolarHBondContact O-CD1 3.43Å; S148-I152 WeakPolarHBondContact O-CG1 3.42Å; S148-I152 PolarHBondContact O-N 3.33Å |
| 149 | I | 84.6 | Confident | 75.4 | Confident | 63 Ų | 63 | 76.5 Ų | 76.5 | 32% | 0.323 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 173.8 | -67.5 | 163.4 | 0 | 0 | 0 | 110.5 | I145 F146 I147 N151 I152 L153 L275 | I145-I149 HydrophobicContact CG2-CD1 3.83Å; I145-I149 VanDerWaalsContact O-CG1 3.3Å; I145-I149 WeakPolarHBondContact O-CG1 3.06Å; I145-I149 PolarHBondContact O-N 3.47Å; F146-I149 WeakPolarHBondContact O-CB 3.35Å; F146-I149 PolarHBondContact O-N 2.76Å; I147-I149 VanDerWaalsContact C-N 3.31Å; I147-I149 PolarHBondContact O-N 3.3Å; I149-N151 PolarHBondContact O-N 2.86Å; I149-I152 PolarHBondContact O-N 2.83Å; I149-L153 HydrophobicContact CG2-CD1 3.63Å; I149-L153 HydrophobicContact CG2-CG 4.23Å; I149-L153 WeakPolarHBondContact O-CB 3.02Å; I149-L153 WeakPolarHBondContact O-CG 3.38Å; I149-L153 PolarHBondContact O-N 3.48Å; I149-L275 HydrophobicContact CD1-CD1 4.11Å; I149-L275 HydrophobicContact CG1-CD1 3.65Å; I149-L275 HydrophobicContact CG1-CD2 4.02Å |
| 150 | V | 82.1 | Confident | 73.7 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 25% | 0.248 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | F146 I147 I152 L153 L154 | F146-V150 HydrophobicContact CD1-CG2 4.24Å; F146-V150 HydrophobicContact CE1-CG2 3.85Å; F146-V150 HydrophobicContact CE2-CG2 4.17Å; F146-V150 HydrophobicContact CZ-CG2 3.81Å; F146-V150 VanDerWaalsContact O-CG2 3.32Å; F146-V150 WeakPolarHBondContact O-CG2 3.41Å; F146-V150 PolarHBondContact O-N 3.11Å; I147-V150 PolarHBondContact O-N 2.94Å; V150-I152 VanDerWaalsContact C-N 3.34Å; V150-I152 PolarHBondContact O-N 3.27Å; V150-L153 PolarHBondContact O-N 3.31Å; V150-L154 HydrophobicContact CG1-CD1 3.63Å; V150-L154 HydrophobicContact CG1-CG 4.21Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 PolarHBondContact O-N 3.41Å |
| 151 | N | 77.3 | Confident | 72.4 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.9 | -72.6 | -8.9 | 0 | 0 | 0 | 111.6 | I147 S148 I149 N155 D271 | I147-N151 WeakPolarHBondContact O-CB 3.28Å; I147-N151 PolarHBondContact O-N 2.8Å; I147-N151 PolarHBondContact O-OD1 2.91Å; S148-N151 PolarHBondContact O-N 2.83Å; I149-N151 PolarHBondContact O-N 2.86Å; N151-N155 PolarHBondContact O-N 2.84Å; N151-D271 PolarHBondContact ND2-OD2 2.97Å |
| 152 | I | 80.2 | Confident | 71 | Confident | 51 Ų | 51 | 82 Ų | 82 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -45.8 | 177.7 | -67.6 | 164.5 | 0 | 0 | 0 | 110.8 | S148 I149 V150 D271 V272 L275 | S148-I152 WeakPolarHBondContact O-CD1 3.43Å; S148-I152 WeakPolarHBondContact O-CG1 3.42Å; S148-I152 PolarHBondContact O-N 3.33Å; I149-I152 PolarHBondContact O-N 2.83Å; V150-I152 VanDerWaalsContact C-N 3.34Å; V150-I152 PolarHBondContact O-N 3.27Å; I152-D271 HydrophobicContact CD1-CB 4.27Å; I152-D271 HydrophobicContact CG1-CB 4.23Å; I152-V272 HydrophobicContact CD1-CG2 3.9Å; I152-V272 HydrophobicContact CG1-CG2 4.05Å; I152-L275 HydrophobicContact CD1-CB 4.34Å; I152-L275 HydrophobicContact CD1-CD2 3.87Å |
| 153 | L | 83.3 | Confident | 69.5 | Low | 133 Ų | 133 | 81.1 Ų | 81.1 | 70% | 0.696 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -73.9 | -46.3 | -175.3 | -73 | 176.2 | 0 | 0 | 0 | 113.4 | I149 V150 N155 | I149-L153 HydrophobicContact CG2-CD1 3.63Å; I149-L153 HydrophobicContact CG2-CG 4.23Å; I149-L153 WeakPolarHBondContact O-CB 3.02Å; I149-L153 WeakPolarHBondContact O-CG 3.38Å; I149-L153 PolarHBondContact O-N 3.48Å; V150-L153 PolarHBondContact O-N 3.31Å; L153-N155 VanDerWaalsContact C-N 3.27Å; L153-N155 PolarHBondContact O-N 3.23Å |
| 154 | L | 70.7 | Confident | 68.1 | Low | 112 Ų | 112 | 76.8 Ų | 76.8 | 59% | 0.586 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -85.1 | -1.1 | -175.8 | -65.2 | -177.7 | 0 | 0 | 0 | 113 | V150 R156 | V150-L154 HydrophobicContact CG1-CD1 3.63Å; V150-L154 HydrophobicContact CG1-CG 4.21Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 PolarHBondContact O-N 3.41Å; L154-R156 HydrophobicContact CB-CB 3.9Å; L154-R156 PolarHBondContact O-N 3.31Å |
| 155 | N | 68.1 | Low | 67.1 | Low | 98 Ų | 98 | 80.1 Ų | 80.1 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | trans | 47.8 | 29 | -175.5 | -145.7 | 51.4 | 0 | 0 | 0 | 111.1 | N151 L153 F157 | N151-N155 PolarHBondContact O-N 2.84Å; L153-N155 VanDerWaalsContact C-N 3.27Å; L153-N155 PolarHBondContact O-N 3.23Å; N155-F157 VanDerWaalsContact C-CE2 3.47Å; N155-F157 HydrophobicContact CB-CE2 3.9Å; N155-F157 HydrophobicContact CB-CZ 4.2Å; N155-F157 WeakPolarHBondContact O-CD2 3.39Å; N155-F157 WeakPolarHBondContact O-CE2 3.23Å; N155-F157 PolarHBondContact O-N 3.38Å; N155-F157 WeakPolarHBondContact OD1-CE2 3.39Å; N155-F157 WeakPolarHBondContact OD1-CZ 3.14Å | ||
| 156 | R | 58.4 | Low | 66.1 | Low | 175 Ų | 175 | 85.5 Ų | 85.5 | 66% | 0.66 | 45% | 0.45 | S | S | * | . | trans | -92.8 | 89.8 | -167 | -174.5 | 174.7 | 174.4 | -178.5 | -0.6 | 107.9 | L154 | L154-R156 HydrophobicContact CB-CB 3.9Å; L154-R156 PolarHBondContact O-N 3.31Å | ||
| 157 | F | 55.2 | Low | 64.8 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 35% | 0.346 | 44% | 0.435 | S | S | . | . | trans | -102.8 | 142.2 | -174 | -51 | -65.1 | 0 | 0 | 0 | 111.6 | N155 R268 | N155-F157 VanDerWaalsContact C-CE2 3.47Å; N155-F157 HydrophobicContact CB-CE2 3.9Å; N155-F157 HydrophobicContact CB-CZ 4.2Å; N155-F157 WeakPolarHBondContact O-CD2 3.39Å; N155-F157 WeakPolarHBondContact O-CE2 3.23Å; N155-F157 PolarHBondContact O-N 3.38Å; N155-F157 WeakPolarHBondContact OD1-CE2 3.39Å; N155-F157 WeakPolarHBondContact OD1-CZ 3.14Å; F157-R268 HydrophobicContact CE1-CB 4.28Å; F157-R268 HydrophobicContact CE1-CG 4.22Å; F157-R268 HydrophobicContact CZ-CG 4.23Å | ||
| 158 | G | 52.8 | Low | 64 | Low | 76 Ų | 76 | 80.8 Ų | 80.8 | 78% | 0.784 | 44% | 0.44 | S | S | * | . | trans | 97.3 | 21.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 159 | G | 50.3 | Low | 63.4 | Low | 50 Ų | 50 | 86.4 Ų | 86.4 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | trans | -68.6 | 131.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 160 | Q | 46.1 | Very low | 62.5 | Low | 128 Ų | 128 | 85.7 Ų | 85.7 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | trans | -36.9 | 139.8 | 172.7 | -74.8 | 171.9 | -19.7 | 0 | 0 | 112.4 | T164 R165 | Q160-T164 HydrophobicContact CB-CG2 4.29Å; Q160-T164 HydrophobicContact CG-CG2 4.44Å; Q160-R165 HydrophobicContact CB-CG 3.96Å | ||
| 161 | D | 53.2 | Low | 61.5 | Low | 64 Ų | 64 | 86.8 Ų | 86.8 | 34% | 0.342 | 47% | 0.471 | S | S | . | . | trans | -44.1 | 138.5 | -179.4 | -55.5 | -53.3 | 0 | 0 | 0 | 110.2 | I163 T164 R165 | D161-I163 CarbonylContact O-C 3.54Å; D161-I163 PolarHBondContact O-N 2.98Å; D161-T164 CarbonylContact O-C 3.6Å; D161-T164 WeakPolarHBondContact O-CA 3.4Å; D161-T164 WeakPolarHBondContact O-CB 3.46Å; D161-T164 PolarHBondContact O-N 3.4Å; D161-R165 PolarHBondContact O-N 3.32Å | ||
| 162 | P | 54.3 | Low | 60.9 | Low | 107 Ų | 107 | 92.7 Ų | 92.7 | 70% | 0.695 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -54.4 | -29.5 | -178.7 | 19.7 | -31 | 0 | 0 | 0 | 111.8 | F166 | P162-F166 WeakPolarHBondContact O-CB 3.32Å; P162-F166 PolarHBondContact O-N 2.96Å |
| 163 | I | 53.7 | Low | 60.3 | Low | 55 Ų | 55 | 100 Ų | 100 | 28% | 0.282 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 173.3 | -60.1 | 168.2 | 0 | 0 | 0 | 111.3 | D161 F166 M167 L191 | D161-I163 CarbonylContact O-C 3.54Å; D161-I163 PolarHBondContact O-N 2.98Å; I163-F166 PolarHBondContact O-N 3.28Å; I163-M167 VanDerWaalsContact O-CB 3.28Å; I163-M167 WeakPolarHBondContact O-CB 3.33Å; I163-M167 WeakPolarHBondContact O-CG 3.45Å; I163-M167 PolarHBondContact O-N 3.45Å; I163-L191 HydrophobicContact CD1-CD1 4.31Å; I163-L191 HydrophobicContact CG2-CD1 4.4Å |
| 164 | T | 54.6 | Low | 59.4 | Low | 62 Ų | 62 | 98.2 Ų | 98.2 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 176.1 | -51.2 | 0 | 0 | 0 | 0 | 112 | Q160 D161 G168 | Q160-T164 HydrophobicContact CB-CG2 4.29Å; Q160-T164 HydrophobicContact CG-CG2 4.44Å; D161-T164 CarbonylContact O-C 3.6Å; D161-T164 WeakPolarHBondContact O-CA 3.4Å; D161-T164 WeakPolarHBondContact O-CB 3.46Å; D161-T164 PolarHBondContact O-N 3.4Å; T164-G168 PolarHBondContact O-N 3.48Å |
| 165 | R | 58.5 | Low | 58.9 | Low | 129 Ų | 129 | 96 Ų | 96 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 173.2 | -78.8 | -170 | 169.7 | 174.3 | 0.2 | 111.9 | Q160 D161 G168 I169 | Q160-R165 HydrophobicContact CB-CG 3.96Å; D161-R165 PolarHBondContact O-N 3.32Å; R165-G168 PolarHBondContact O-N 2.65Å; R165-I169 WeakPolarHBondContact O-CD1 3.22Å; R165-I169 VanDerWaalsContact O-CG1 3.29Å; R165-I169 WeakPolarHBondContact O-CG1 3.28Å; R165-I169 PolarHBondContact O-N 2.96Å |
| 166 | F | 62.1 | Low | 58.6 | Low | 145 Ų | 145 | 97.9 Ų | 97.9 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -49.6 | 176.4 | -174.6 | -99.6 | 0 | 0 | 0 | 110.7 | P162 I163 G168 I169 T170 | P162-F166 WeakPolarHBondContact O-CB 3.32Å; P162-F166 PolarHBondContact O-N 2.96Å; I163-F166 PolarHBondContact O-N 3.28Å; F166-G168 VanDerWaalsContact C-N 3.34Å; F166-G168 PolarHBondContact O-N 3.24Å; F166-I169 PolarHBondContact O-N 2.88Å; F166-T170 WeakPolarHBondContact O-CB 3.2Å; F166-T170 PolarHBondContact O-N 3.19Å; F166-T170 PolarHBondContact O-OG1 2.88Å |
| 167 | M | 57 | Low | 58.8 | Low | 39 Ų | 39 | 99.2 Ų | 99.2 | 19% | 0.192 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -52.9 | -49 | 172.8 | -86.5 | -98.3 | -164.6 | 0 | 0 | 111.9 | I163 I169 T170 I171 I187 | I163-M167 VanDerWaalsContact O-CB 3.28Å; I163-M167 WeakPolarHBondContact O-CB 3.33Å; I163-M167 WeakPolarHBondContact O-CG 3.45Å; I163-M167 PolarHBondContact O-N 3.45Å; M167-I169 VanDerWaalsContact C-N 3.33Å; M167-I169 PolarHBondContact O-N 2.89Å; M167-T170 PolarHBondContact O-N 2.9Å; M167-I171 HydrophobicContact CB-CD1 4.42Å; M167-I171 WeakPolarHBondContact O-CB 3.34Å; M167-I171 VanDerWaalsContact O-CD1 3.27Å; M167-I171 WeakPolarHBondContact O-CD1 3.43Å; M167-I171 WeakPolarHBondContact O-CG1 3.39Å; M167-I171 PolarHBondContact O-N 3.42Å; M167-I187 HydrophobicContact CE-CB 3.98Å; M167-I187 HydrophobicContact CE-CD1 3.56Å; M167-I187 HydrophobicContact CE-CG1 4.35Å; M167-I187 HydrophobicContact CE-CG2 3.97Å |
| 168 | G | 63.2 | Low | 59.1 | Low | 40 Ų | 40 | 99.4 Ų | 99.4 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T164 R165 F166 H172 | T164-G168 PolarHBondContact O-N 3.48Å; R165-G168 PolarHBondContact O-N 2.65Å; F166-G168 VanDerWaalsContact C-N 3.34Å; F166-G168 PolarHBondContact O-N 3.24Å; G168-H172 PolarHBondContact O-N 3Å; G168-H172 VanDerWaalsContact O-N 3.11Å |
| 169 | I | 65.6 | Low | 59.9 | Low | 120 Ų | 120 | 101.4 Ų | 101.4 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69 | -43.9 | 176.9 | -65.5 | 163.7 | 0 | 0 | 0 | 110.8 | R165 F166 M167 I171 H172 Y173 | R165-I169 WeakPolarHBondContact O-CD1 3.22Å; R165-I169 VanDerWaalsContact O-CG1 3.29Å; R165-I169 WeakPolarHBondContact O-CG1 3.28Å; R165-I169 PolarHBondContact O-N 2.96Å; F166-I169 PolarHBondContact O-N 2.88Å; M167-I169 VanDerWaalsContact C-N 3.33Å; M167-I169 PolarHBondContact O-N 2.89Å; I169-I171 VanDerWaalsContact C-N 3.33Å; I169-I171 PolarHBondContact O-N 3.26Å; I169-H172 PolarHBondContact O-N 3.35Å; I169-Y173 WeakPolarHBondContact O-CB 3.48Å; I169-Y173 PolarHBondContact O-N 3.41Å |
| 170 | T | 65.4 | Low | 60.4 | Low | 48 Ų | 48 | 102.1 Ų | 102.1 | 29% | 0.294 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.5 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | F166 M167 Y173 L174 | F166-T170 WeakPolarHBondContact O-CB 3.2Å; F166-T170 PolarHBondContact O-N 3.19Å; F166-T170 PolarHBondContact O-OG1 2.88Å; M167-T170 PolarHBondContact O-N 2.9Å; T170-Y173 PolarHBondContact O-N 3.32Å; T170-L174 HydrophobicContact CG2-CD1 3.39Å; T170-L174 WeakPolarHBondContact O-CB 3.48Å; T170-L174 PolarHBondContact O-N 2.87Å |
| 171 | I | 61.3 | Low | 61.4 | Low | 64 Ų | 64 | 103.8 Ų | 103.8 | 33% | 0.328 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.2 | -67.3 | 159.5 | 0 | 0 | 0 | 111 | M167 I169 Y173 G175 V180 | M167-I171 HydrophobicContact CB-CD1 4.42Å; M167-I171 WeakPolarHBondContact O-CB 3.34Å; M167-I171 VanDerWaalsContact O-CD1 3.27Å; M167-I171 WeakPolarHBondContact O-CD1 3.43Å; M167-I171 WeakPolarHBondContact O-CG1 3.39Å; M167-I171 PolarHBondContact O-N 3.42Å; I169-I171 VanDerWaalsContact C-N 3.33Å; I169-I171 PolarHBondContact O-N 3.26Å; I171-Y173 VanDerWaalsContact C-N 3.3Å; I171-Y173 PolarHBondContact O-N 2.92Å; I171-G175 PolarHBondContact O-N 2.83Å; I171-V180 HydrophobicContact CD1-CB 4.37Å; I171-V180 HydrophobicContact CD1-CG1 3.61Å; I171-V180 HydrophobicContact CD1-CG2 3.82Å; I171-V180 HydrophobicContact CG1-CG2 4.49Å; I171-V180 HydrophobicContact CG2-CG2 4.49Å |
| 172 | H | 65.4 | Low | 62.2 | Low | 172 Ų | 172 | 106 Ų | 106 | 80% | 0.796 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -32.2 | 178 | -169.5 | -72.7 | 0 | 0 | 0 | 112.5 | G168 I169 | G168-H172 PolarHBondContact O-N 3Å; G168-H172 VanDerWaalsContact O-N 3.11Å; I169-H172 PolarHBondContact O-N 3.35Å |
| 173 | Y | 67.6 | Low | 62.9 | Low | 205 Ų | 205 | 107.3 Ų | 107.3 | 80% | 0.804 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -83.7 | -34.2 | -179 | -166 | -100.4 | 0 | 0 | 0 | 113.4 | I169 T170 I171 | I169-Y173 WeakPolarHBondContact O-CB 3.48Å; I169-Y173 PolarHBondContact O-N 3.41Å; T170-Y173 PolarHBondContact O-N 3.32Å; I171-Y173 VanDerWaalsContact C-N 3.3Å; I171-Y173 PolarHBondContact O-N 2.92Å |
| 174 | L | 64.1 | Low | 63.3 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -97.2 | -6 | -174 | -79 | 136.1 | 0 | 0 | 0 | 114.9 | T170 F176 | T170-L174 HydrophobicContact CG2-CD1 3.39Å; T170-L174 WeakPolarHBondContact O-CB 3.48Å; T170-L174 PolarHBondContact O-N 2.87Å; L174-F176 HydrophobicContact CB-CD2 3.8Å; L174-F176 HydrophobicContact CB-CE2 4.17Å; L174-F176 HydrophobicContact CD2-CD2 4.39Å; L174-F176 HydrophobicContact CD2-CE2 3.94Å; L174-F176 WeakPolarHBondContact O-CD2 3.29Å; L174-F176 PolarHBondContact O-N 3.37Å |
| 175 | G | 60.9 | Low | 63.8 | Low | 65 Ų | 65 | 106 Ų | 106 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | trans | 60.4 | 10.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I171 Q177 | I171-G175 PolarHBondContact O-N 2.83Å; G175-Q177 PolarHBondContact O-N 2.89Å | ||
| 176 | F | 61.5 | Low | 64.6 | Low | 137 Ų | 137 | 103.1 Ų | 103.1 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | trans | -75.5 | 125.7 | -178.9 | -78.4 | -71 | 0 | 0 | 0 | 110.7 | L174 I178 | L174-F176 HydrophobicContact CB-CD2 3.8Å; L174-F176 HydrophobicContact CB-CE2 4.17Å; L174-F176 HydrophobicContact CD2-CD2 4.39Å; L174-F176 HydrophobicContact CD2-CE2 3.94Å; L174-F176 WeakPolarHBondContact O-CD2 3.29Å; L174-F176 PolarHBondContact O-N 3.37Å; F176-I178 HydrophobicContact CB-CB 4.42Å; F176-I178 HydrophobicContact CB-CD1 3.65Å; F176-I178 HydrophobicContact CB-CG1 3.85Å; F176-I178 HydrophobicContact CD1-CD1 4.29Å; F176-I178 HydrophobicContact CD2-CD1 4.5Å; F176-I178 HydrophobicContact CG-CD1 3.92Å; F176-I178 HydrophobicContact CG-CG1 4.48Å; F176-I178 PolarHBondContact O-N 2.84Å | ||
| 177 | Q | 62.3 | Low | 64.9 | Low | 203 Ų | 203 | 99.2 Ų | 99.2 | 95% | 0.949 | 50% | 0.497 | S | S | * | . | trans | -72.5 | 40.8 | 167.5 | -63.2 | -165.3 | -5.3 | 0 | 0 | 112.4 | G175 | G175-Q177 PolarHBondContact O-N 2.89Š| ||
| 178 | I | 61 | Low | 65.2 | Low | 84 Ų | 84 | 98.5 Ų | 98.5 | 43% | 0.431 | 50% | 0.496 | S | S | . | . | trans | -75.2 | 135.5 | 176.2 | -71.1 | 163.8 | 0 | 0 | 0 | 107.9 | F176 V180 W183 | F176-I178 HydrophobicContact CB-CB 4.42Å; F176-I178 HydrophobicContact CB-CD1 3.65Å; F176-I178 HydrophobicContact CB-CG1 3.85Å; F176-I178 HydrophobicContact CD1-CD1 4.29Å; F176-I178 HydrophobicContact CD2-CD1 4.5Å; F176-I178 HydrophobicContact CG-CD1 3.92Å; F176-I178 HydrophobicContact CG-CG1 4.48Å; F176-I178 PolarHBondContact O-N 2.84Å; I178-V180 VanDerWaalsContact C-N 3.32Å; I178-V180 VanDerWaalsContact O-CG2 3.3Å; I178-V180 WeakPolarHBondContact O-CG2 3.45Å; I178-V180 PolarHBondContact O-N 3.4Å; I178-W183 HydrophobicContact CG2-CB 4.17Å; I178-W183 HydrophobicContact CG2-CD2 4.48Å; I178-W183 HydrophobicContact CG2-CG 3.67Å | ||
| 179 | D | 69.6 | Low | 65.5 | Low | 118 Ų | 118 | 103.3 Ų | 103.3 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | trans | -62.5 | 90.8 | -178.7 | -152.4 | -10.6 | 0 | 0 | 0 | 110.6 | K181 F182 W183 | D179-K181 PolarHBondContact O-N 2.91Å; D179-K181 VanDerWaalsContact O-N 3.16Å; D179-F182 HydrophobicContact CB-CB 4.46Å; D179-F182 PolarHBondContact O-N 2.89Å; D179-F182 VanDerWaalsContact O-N 3.14Å; D179-W183 PolarHBondContact O-N 2.89Å; D179-W183 VanDerWaalsContact O-N 3.13Å | ||
| 180 | V | 61.3 | Low | 66 | Low | 64 Ų | 64 | 105.6 Ų | 105.6 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.7 | -35.9 | -166.3 | 178 | 0 | 0 | 0 | 0 | 110.9 | I171 I178 S184 | I171-V180 HydrophobicContact CD1-CB 4.37Å; I171-V180 HydrophobicContact CD1-CG1 3.61Å; I171-V180 HydrophobicContact CD1-CG2 3.82Å; I171-V180 HydrophobicContact CG1-CG2 4.49Å; I171-V180 HydrophobicContact CG2-CG2 4.49Å; I178-V180 VanDerWaalsContact C-N 3.32Å; I178-V180 VanDerWaalsContact O-CG2 3.3Å; I178-V180 WeakPolarHBondContact O-CG2 3.45Å; I178-V180 PolarHBondContact O-N 3.4Å; V180-S184 WeakPolarHBondContact O-CB 3.3Å; V180-S184 PolarHBondContact O-N 3.47Å; V180-S184 PolarHBondContact O-OG 2.83Å |
| 181 | K | 66.4 | Low | 66 | Low | 163 Ų | 163 | 106.4 Ų | 106.4 | 71% | 0.709 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.3 | -46.5 | -179.1 | -68.8 | -174.5 | 178.7 | -177.5 | 0 | 111.7 | D179 S184 Q185 | D179-K181 PolarHBondContact O-N 2.91Å; D179-K181 VanDerWaalsContact O-N 3.16Å; K181-S184 PolarHBondContact O-OG 2.85Å; K181-S184 VanDerWaalsContact O-OG 3.13Å; K181-Q185 PolarHBondContact O-N 3.34Å |
| 182 | F | 70.6 | Confident | 66 | Low | 110 Ų | 110 | 104.1 Ų | 104.1 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -51.2 | -179.9 | -179.3 | -97.9 | 0 | 0 | 0 | 111.6 | D179 Q185 Q186 | D179-F182 HydrophobicContact CB-CB 4.46Å; D179-F182 PolarHBondContact O-N 2.89Å; D179-F182 VanDerWaalsContact O-N 3.14Å; F182-Q185 PolarHBondContact O-N 3.46Å; F182-Q186 HydrophobicContact CD1-CG 4.37Å; F182-Q186 HydrophobicContact CE1-CG 3.97Å; F182-Q186 HydrophobicContact CE2-CG 4.33Å; F182-Q186 HydrophobicContact CZ-CG 3.95Å; F182-Q186 WeakPolarHBondContact O-CG 3.35Å; F182-Q186 PolarHBondContact O-N 3.46Å; F182-Q186 VanDerWaalsContact O-N 3.11Å |
| 183 | W | 69.2 | Low | 66.1 | Low | 136 Ų | 136 | 97.5 Ų | 97.5 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | -176.4 | -80.8 | 94.6 | 0 | 0 | 0 | 113.1 | I178 D179 Q185 Q186 I187 | I178-W183 HydrophobicContact CG2-CB 4.17Å; I178-W183 HydrophobicContact CG2-CD2 4.48Å; I178-W183 HydrophobicContact CG2-CG 3.67Å; D179-W183 PolarHBondContact O-N 2.89Å; D179-W183 VanDerWaalsContact O-N 3.13Å; W183-Q185 VanDerWaalsContact C-N 3.31Å; W183-Q185 PolarHBondContact O-N 2.95Å; W183-Q186 PolarHBondContact O-N 3.1Å; W183-I187 HydrophobicContact CB-CD1 4.46Å; W183-I187 HydrophobicContact CE3-CD1 4.23Å; W183-I187 HydrophobicContact CE3-CG1 4.43Å; W183-I187 VanDerWaalsContact O-CB 3.28Å; W183-I187 WeakPolarHBondContact O-CB 2.91Å; W183-I187 WeakPolarHBondContact O-CD1 3.47Å; W183-I187 VanDerWaalsContact O-CG1 3.25Å; W183-I187 WeakPolarHBondContact O-CG1 3.3Å; W183-I187 PolarHBondContact O-N 3.43Å |
| 184 | S | 61.9 | Low | 66.4 | Low | 29 Ų | 29 | 92.3 Ų | 92.3 | 20% | 0.203 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 174.8 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | V180 K181 S188 | V180-S184 WeakPolarHBondContact O-CB 3.3Å; V180-S184 PolarHBondContact O-N 3.47Å; V180-S184 PolarHBondContact O-OG 2.83Å; K181-S184 PolarHBondContact O-OG 2.85Å; K181-S184 VanDerWaalsContact O-OG 3.13Å; S184-S188 WeakPolarHBondContact O-CB 3.44Å; S184-S188 PolarHBondContact O-N 3.22Å; S184-S188 PolarHBondContact O-OG 3.28Å |
| 185 | Q | 66 | Low | 66.5 | Low | 60 Ų | 60 | 91.8 Ų | 91.8 | 28% | 0.28 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 176.5 | -172.4 | -179.2 | -19.9 | 0 | 0 | 112 | K181 F182 W183 S188 F189 T247 Y250 | K181-Q185 PolarHBondContact O-N 3.34Å; F182-Q185 PolarHBondContact O-N 3.46Å; W183-Q185 VanDerWaalsContact C-N 3.31Å; W183-Q185 PolarHBondContact O-N 2.95Å; Q185-S188 PolarHBondContact O-N 3.14Å; Q185-F189 WeakPolarHBondContact O-CB 3.3Å; Q185-F189 PolarHBondContact O-N 3.25Å; Q185-T247 HydrophobicContact CB-CG2 3.85Å; Q185-T247 HydrophobicContact CG-CG2 4Å; Q185-Y250 VanDerWaalsContact NE2-CE2 3.27Å; Q185-Y250 PolarHBondContact NE2-OH 2.88Å |
| 186 | Q | 73.5 | Confident | 66.7 | Low | 68 Ų | 68 | 90.1 Ų | 90.1 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 179.9 | -65 | -62.6 | -10.2 | 0 | 0 | 111.6 | F182 W183 S188 F189 W190 | F182-Q186 HydrophobicContact CD1-CG 4.37Å; F182-Q186 HydrophobicContact CE1-CG 3.97Å; F182-Q186 HydrophobicContact CE2-CG 4.33Å; F182-Q186 HydrophobicContact CZ-CG 3.95Å; F182-Q186 WeakPolarHBondContact O-CG 3.35Å; F182-Q186 PolarHBondContact O-N 3.46Å; F182-Q186 VanDerWaalsContact O-N 3.11Å; W183-Q186 PolarHBondContact O-N 3.1Å; Q186-S188 VanDerWaalsContact C-N 3.3Å; Q186-S188 PolarHBondContact O-N 3.31Å; Q186-F189 PolarHBondContact O-N 2.73Å; Q186-W190 PolarHBondContact O-N 3.16Å |
| 187 | I | 68.6 | Low | 67.2 | Low | 64 Ų | 64 | 88.3 Ų | 88.3 | 33% | 0.328 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 178 | -70.5 | 165.9 | 0 | 0 | 0 | 110.2 | M167 W183 W190 L191 | M167-I187 HydrophobicContact CE-CB 3.98Å; M167-I187 HydrophobicContact CE-CD1 3.56Å; M167-I187 HydrophobicContact CE-CG1 4.35Å; M167-I187 HydrophobicContact CE-CG2 3.97Å; W183-I187 HydrophobicContact CB-CD1 4.46Å; W183-I187 HydrophobicContact CE3-CD1 4.23Å; W183-I187 HydrophobicContact CE3-CG1 4.43Å; W183-I187 VanDerWaalsContact O-CB 3.28Å; W183-I187 WeakPolarHBondContact O-CB 2.91Å; W183-I187 WeakPolarHBondContact O-CD1 3.47Å; W183-I187 VanDerWaalsContact O-CG1 3.25Å; W183-I187 WeakPolarHBondContact O-CG1 3.3Å; W183-I187 PolarHBondContact O-N 3.43Å; I187-W190 PolarHBondContact O-N 3.35Å; I187-L191 HydrophobicContact CG2-CD1 3.67Å; I187-L191 HydrophobicContact CG2-CG 4.14Å; I187-L191 VanDerWaalsContact O-CB 3.28Å; I187-L191 WeakPolarHBondContact O-CB 3.29Å; I187-L191 VanDerWaalsContact O-CG 3.22Å; I187-L191 WeakPolarHBondContact O-CG 3.2Å; I187-L191 PolarHBondContact O-N 3.18Å |
| 188 | S | 63.8 | Low | 67.7 | Low | 23 Ų | 23 | 83 Ų | 83 | 16% | 0.161 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | S184 Q185 Q186 W190 L191 V192 | S184-S188 WeakPolarHBondContact O-CB 3.44Å; S184-S188 PolarHBondContact O-N 3.22Å; S184-S188 PolarHBondContact O-OG 3.28Å; Q185-S188 PolarHBondContact O-N 3.14Å; Q186-S188 VanDerWaalsContact C-N 3.3Å; Q186-S188 PolarHBondContact O-N 3.31Å; S188-W190 PolarHBondContact O-N 2.91Å; S188-L191 PolarHBondContact O-N 3.45Å; S188-V192 WeakPolarHBondContact O-CB 3.48Å; S188-V192 WeakPolarHBondContact O-CG2 3.26Å; S188-V192 PolarHBondContact O-N 2.85Å |
| 189 | F | 69.6 | Low | 67.9 | Low | 141 Ų | 141 | 80 Ų | 80 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.3 | -47.9 | 176.3 | 177.3 | -99.6 | 0 | 0 | 0 | 112.5 | Q185 Q186 V192 G193 | Q185-F189 WeakPolarHBondContact O-CB 3.3Å; Q185-F189 PolarHBondContact O-N 3.25Å; Q186-F189 PolarHBondContact O-N 2.73Å; F189-V192 PolarHBondContact O-N 3.48Å; F189-G193 PolarHBondContact O-N 2.67Å |
| 190 | W | 76 | Confident | 67.8 | Low | 168 Ų | 168 | 77.6 Ų | 77.6 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.1 | -46.1 | 177 | -79.6 | 108.2 | 0 | 0 | 0 | 112.4 | Q186 I187 S188 V192 G193 I194 | Q186-W190 PolarHBondContact O-N 3.16Å; I187-W190 PolarHBondContact O-N 3.35Å; S188-W190 PolarHBondContact O-N 2.91Å; W190-V192 VanDerWaalsContact C-N 3.32Å; W190-V192 PolarHBondContact O-N 2.94Å; W190-G193 PolarHBondContact O-N 3.04Å; W190-I194 WeakPolarHBondContact O-CB 3.44Å; W190-I194 VanDerWaalsContact O-CG1 3.27Å; W190-I194 WeakPolarHBondContact O-CG1 3.27Å; W190-I194 PolarHBondContact O-N 3.01Å |
| 191 | L | 65.8 | Low | 68.5 | Low | 65 Ų | 65 | 83.1 Ų | 83.1 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 177.1 | -76.7 | 173.5 | 0 | 0 | 0 | 111.1 | I163 I187 S188 I194 I195 | I163-L191 HydrophobicContact CD1-CD1 4.31Å; I163-L191 HydrophobicContact CG2-CD1 4.4Å; I187-L191 HydrophobicContact CG2-CD1 3.67Å; I187-L191 HydrophobicContact CG2-CG 4.14Å; I187-L191 VanDerWaalsContact O-CB 3.28Å; I187-L191 WeakPolarHBondContact O-CB 3.29Å; I187-L191 VanDerWaalsContact O-CG 3.22Å; I187-L191 WeakPolarHBondContact O-CG 3.2Å; I187-L191 PolarHBondContact O-N 3.18Å; S188-L191 PolarHBondContact O-N 3.45Å; L191-I194 PolarHBondContact O-N 3.37Å; L191-I195 WeakPolarHBondContact O-CB 3.39Å; L191-I195 WeakPolarHBondContact O-CD1 3.32Å; L191-I195 WeakPolarHBondContact O-CG1 2.78Å; L191-I195 PolarHBondContact O-N 2.97Å |
| 192 | V | 61.9 | Low | 68.6 | Low | 17 Ų | 17 | 76.9 Ų | 76.9 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | S188 F189 W190 I194 I195 V196 L242 N245 | S188-V192 WeakPolarHBondContact O-CB 3.48Å; S188-V192 WeakPolarHBondContact O-CG2 3.26Å; S188-V192 PolarHBondContact O-N 2.85Å; F189-V192 PolarHBondContact O-N 3.48Å; W190-V192 VanDerWaalsContact C-N 3.32Å; W190-V192 PolarHBondContact O-N 2.94Å; V192-I194 PolarHBondContact O-N 3.44Å; V192-I195 PolarHBondContact O-N 2.82Å; V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 2.85Å; V192-L242 HydrophobicContact CG1-CB 3.97Å; V192-L242 HydrophobicContact CG1-CD1 4.42Å; V192-L242 HydrophobicContact CG1-CD2 3.33Å; V192-L242 HydrophobicContact CG1-CG 4.04Å; V192-N245 HydrophobicContact CG2-CB 3.21Å |
| 193 | G | 67.5 | Low | 68.5 | Low | 33 Ų | 33 | 72.7 Ų | 72.7 | 34% | 0.34 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F189 W190 I195 V196 V197 | F189-G193 PolarHBondContact O-N 2.67Å; W190-G193 PolarHBondContact O-N 3.04Å; G193-I195 PolarHBondContact O-N 2.74Å; G193-V196 PolarHBondContact O-N 2.79Å; G193-V197 WeakPolarHBondContact O-CG2 3.43Å; G193-V197 PolarHBondContact O-N 2.89Å |
| 194 | I | 73.2 | Confident | 68.7 | Low | 95 Ų | 95 | 70.4 Ų | 70.4 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 177 | -68.9 | 166.6 | 0 | 0 | 0 | 110.8 | W190 L191 V192 V196 V197 T198 | W190-I194 WeakPolarHBondContact O-CB 3.44Å; W190-I194 VanDerWaalsContact O-CG1 3.27Å; W190-I194 WeakPolarHBondContact O-CG1 3.27Å; W190-I194 PolarHBondContact O-N 3.01Å; L191-I194 PolarHBondContact O-N 3.37Å; V192-I194 PolarHBondContact O-N 3.44Å; I194-V196 VanDerWaalsContact C-N 3.33Å; I194-V196 PolarHBondContact O-N 3.15Å; I194-V197 PolarHBondContact O-N 3.04Å; I194-T198 WeakPolarHBondContact O-CB 3.39Å; I194-T198 PolarHBondContact O-N 3.47Å; I194-T198 PolarHBondContact O-OG1 3.44Å |
| 195 | I | 67 | Low | 69.3 | Low | 85 Ų | 85 | 73 Ų | 73 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.5 | -71.7 | 163.1 | 0 | 0 | 0 | 109.9 | L191 V192 G193 S199 | L191-I195 WeakPolarHBondContact O-CB 3.39Å; L191-I195 WeakPolarHBondContact O-CD1 3.32Å; L191-I195 WeakPolarHBondContact O-CG1 2.78Å; L191-I195 PolarHBondContact O-N 2.97Å; V192-I195 PolarHBondContact O-N 2.82Å; G193-I195 PolarHBondContact O-N 2.74Å; I195-S199 WeakPolarHBondContact O-CB 3.39Å; I195-S199 PolarHBondContact O-N 2.89Å; I195-S199 PolarHBondContact O-OG 3.4Å |
| 196 | V | 64.3 | Low | 69.5 | Low | 30 Ų | 30 | 74.1 Ų | 74.1 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.5 | -54.5 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | V192 G193 I194 T198 S199 I200 L242 | V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 2.85Å; G193-V196 PolarHBondContact O-N 2.79Å; I194-V196 VanDerWaalsContact C-N 3.33Å; I194-V196 PolarHBondContact O-N 3.15Å; V196-T198 VanDerWaalsContact C-N 3.3Å; V196-T198 PolarHBondContact O-N 3.22Å; V196-S199 WeakPolarHBondContact CA-OG 3.42Å; V196-S199 PolarHBondContact O-N 3.27Å; V196-S199 PolarHBondContact O-OG 2.92Å; V196-I200 HydrophobicContact CG1-CD1 3.58Å; V196-I200 HydrophobicContact CG1-CG1 4.35Å; V196-I200 WeakPolarHBondContact O-CG1 3.04Å; V196-I200 PolarHBondContact O-N 3.5Å; V196-L242 HydrophobicContact CG2-CD1 3.87Å; V196-L242 HydrophobicContact CG2-CD2 3.13Å; V196-L242 HydrophobicContact CG2-CG 4.09Å |
| 197 | V | 72.4 | Confident | 69.1 | Low | 99 Ų | 99 | 72.4 Ų | 72.4 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.1 | -42.7 | -178.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | G193 I194 R201 | G193-V197 WeakPolarHBondContact O-CG2 3.43Å; G193-V197 PolarHBondContact O-N 2.89Å; I194-V197 PolarHBondContact O-N 3.04Å; V197-R201 VanDerWaalsContact O-CB 3.26Å; V197-R201 WeakPolarHBondContact O-CB 3.48Å; V197-R201 PolarHBondContact O-N 3.32Å |
| 198 | T | 71.9 | Confident | 69.3 | Low | 90 Ų | 90 | 73.8 Ų | 73.8 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.2 | -40.7 | 178.3 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | I194 V196 R201 G202 | I194-T198 WeakPolarHBondContact O-CB 3.39Å; I194-T198 PolarHBondContact O-N 3.47Å; I194-T198 PolarHBondContact O-OG1 3.44Å; V196-T198 VanDerWaalsContact C-N 3.3Å; V196-T198 PolarHBondContact O-N 3.22Å; T198-R201 PolarHBondContact O-N 2.95Å; T198-G202 PolarHBondContact O-N 3.4Å |
| 199 | S | 65.5 | Low | 69.7 | Low | 21 Ų | 21 | 80 Ų | 80 | 15% | 0.147 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65 | -44.4 | 178.2 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | I195 V196 G202 L203 Y234 | I195-S199 WeakPolarHBondContact O-CB 3.39Å; I195-S199 PolarHBondContact O-N 2.89Å; I195-S199 PolarHBondContact O-OG 3.4Å; V196-S199 WeakPolarHBondContact CA-OG 3.42Å; V196-S199 PolarHBondContact O-N 3.27Å; V196-S199 PolarHBondContact O-OG 2.92Å; S199-G202 PolarHBondContact O-N 2.9Å; S199-L203 WeakPolarHBondContact O-CB 3.13Å; S199-L203 PolarHBondContact O-N 3.42Å; S199-Y234 WeakPolarHBondContact CB-OH 3.47Å; S199-Y234 PolarHBondContact O-OH 2.79Å |
| 200 | I | 68.5 | Low | 69.8 | Low | 69 Ų | 69 | 78.3 Ų | 78.3 | 35% | 0.354 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 176.3 | -66.5 | 168.9 | 0 | 0 | 0 | 109.7 | V196 G202 L203 L204 | V196-I200 HydrophobicContact CG1-CD1 3.58Å; V196-I200 HydrophobicContact CG1-CG1 4.35Å; V196-I200 WeakPolarHBondContact O-CG1 3.04Å; V196-I200 PolarHBondContact O-N 3.5Å; I200-G202 VanDerWaalsContact C-N 3.34Å; I200-G202 PolarHBondContact O-N 3.08Å; I200-L203 PolarHBondContact O-N 2.89Å; I200-L204 HydrophobicContact CG2-CD1 3.86Å; I200-L204 HydrophobicContact CG2-CG 4.23Å; I200-L204 WeakPolarHBondContact O-CB 3.26Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.37Å; I200-L204 PolarHBondContact O-N 2.99Å |
| 201 | R | 75.3 | Confident | 69.5 | Low | 179 Ų | 179 | 74.9 Ų | 74.9 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 178.8 | -174.9 | 175.3 | 179.9 | 155.9 | 1.4 | 111.6 | V197 T198 L204 I205 | V197-R201 VanDerWaalsContact O-CB 3.26Å; V197-R201 WeakPolarHBondContact O-CB 3.48Å; V197-R201 PolarHBondContact O-N 3.32Å; T198-R201 PolarHBondContact O-N 2.95Å; R201-L204 PolarHBondContact O-N 3.32Å; R201-I205 HydrophobicContact CG-CD1 4.05Å; R201-I205 VanDerWaalsContact O-CG1 3.31Å; R201-I205 WeakPolarHBondContact O-CG1 3.47Å; R201-I205 PolarHBondContact O-N 3.22Å |
| 202 | G | 69.1 | Low | 69.9 | Low | 33 Ų | 33 | 79.6 Ų | 79.6 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T198 S199 I200 T206 | T198-G202 PolarHBondContact O-N 3.4Å; S199-G202 PolarHBondContact O-N 2.9Å; I200-G202 VanDerWaalsContact C-N 3.34Å; I200-G202 PolarHBondContact O-N 3.08Å; G202-T206 WeakPolarHBondContact O-CB 3.43Å; G202-T206 PolarHBondContact O-N 3.34Å; G202-T206 PolarHBondContact O-OG1 2.92Å |
| 203 | L | 67.7 | Low | 70.2 | Confident | 22 Ų | 22 | 82.6 Ų | 82.6 | 12% | 0.115 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 175 | -175.9 | 149.9 | 0 | 0 | 0 | 111.5 | S199 I200 I205 T206 L207 M231 Y234 | S199-L203 WeakPolarHBondContact O-CB 3.13Å; S199-L203 PolarHBondContact O-N 3.42Å; I200-L203 PolarHBondContact O-N 2.89Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 3.41Å; L203-T206 PolarHBondContact O-N 3.44Å; L203-L207 HydrophobicContact CD2-CB 4.49Å; L203-L207 VanDerWaalsContact O-CB 3.24Å; L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 PolarHBondContact O-N 3.41Å; L203-M231 HydrophobicContact CD2-CG 3.87Å; L203-M231 HydrophobicContact CD2-SD 4.13Å; L203-Y234 HydrophobicContact CB-CE1 4.19Å; L203-Y234 HydrophobicContact CD1-CD1 3.29Å; L203-Y234 HydrophobicContact CD1-CD2 3.58Å; L203-Y234 HydrophobicContact CD1-CE1 3.65Å; L203-Y234 HydrophobicContact CD1-CE2 3.9Å; L203-Y234 HydrophobicContact CD1-CG 3.24Å |
| 204 | L | 72.8 | Confident | 70.4 | Confident | 87 Ų | 87 | 84.2 Ų | 84.2 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | -178.7 | -73.4 | 175.3 | 0 | 0 | 0 | 112 | I200 R201 L207 T208 | I200-L204 HydrophobicContact CG2-CD1 3.86Å; I200-L204 HydrophobicContact CG2-CG 4.23Å; I200-L204 WeakPolarHBondContact O-CB 3.26Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.37Å; I200-L204 PolarHBondContact O-N 2.99Å; R201-L204 PolarHBondContact O-N 3.32Å; L204-L207 PolarHBondContact O-N 3.14Å; L204-T208 WeakPolarHBondContact O-CB 3.48Å; L204-T208 PolarHBondContact O-N 3.14Å; L204-T208 PolarHBondContact O-OG1 3.23Å |
| 205 | I | 75.4 | Confident | 69.9 | Low | 83 Ų | 83 | 82.2 Ų | 82.2 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 175.8 | -67.6 | 166.8 | 0 | 0 | 0 | 110.7 | R201 L203 L207 T208 K209 | R201-I205 HydrophobicContact CG-CD1 4.05Å; R201-I205 VanDerWaalsContact O-CG1 3.31Å; R201-I205 WeakPolarHBondContact O-CG1 3.47Å; R201-I205 PolarHBondContact O-N 3.22Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 3.41Å; I205-L207 VanDerWaalsContact C-N 3.27Å; I205-L207 PolarHBondContact O-N 3.3Å; I205-T208 PolarHBondContact O-N 3.44Å; I205-K209 WeakPolarHBondContact O-CG 3.45Å; I205-K209 PolarHBondContact O-N 2.95Å; I205-K209 VanDerWaalsContact O-N 3.07Å |
| 206 | T | 68.8 | Low | 69.7 | Low | 84 Ų | 84 | 81 Ų | 81 | 52% | 0.515 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 179.3 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | G202 L203 K209 F210 | G202-T206 WeakPolarHBondContact O-CB 3.43Å; G202-T206 PolarHBondContact O-N 3.34Å; G202-T206 PolarHBondContact O-OG1 2.92Å; L203-T206 PolarHBondContact O-N 3.44Å; T206-K209 PolarHBondContact O-N 3.28Å; T206-F210 WeakPolarHBondContact O-CB 3.43Å; T206-F210 PolarHBondContact O-N 3.34Å |
| 207 | L | 66.5 | Low | 69.6 | Low | 33 Ų | 33 | 86.3 Ų | 86.3 | 17% | 0.173 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 179.1 | -169.5 | 73.8 | 0 | 0 | 0 | 112.3 | L203 L204 I205 K209 F210 F211 I227 M231 | L203-L207 HydrophobicContact CD2-CB 4.49Å; L203-L207 VanDerWaalsContact O-CB 3.24Å; L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 PolarHBondContact O-N 3.41Å; L204-L207 PolarHBondContact O-N 3.14Å; I205-L207 VanDerWaalsContact C-N 3.27Å; I205-L207 PolarHBondContact O-N 3.3Å; L207-K209 VanDerWaalsContact C-N 3.29Å; L207-K209 PolarHBondContact O-N 3.1Å; L207-F210 PolarHBondContact O-N 3.03Å; L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 3.28Å; L207-I227 HydrophobicContact CD1-CB 4.17Å; L207-I227 HydrophobicContact CD1-CD1 3.88Å; L207-I227 HydrophobicContact CD1-CG1 3.76Å; L207-I227 HydrophobicContact CD1-CG2 3.52Å; L207-I227 HydrophobicContact CD2-CG2 3.56Å; L207-I227 HydrophobicContact CG-CG2 4Å; L207-M231 HydrophobicContact CD2-CE 3.49Å; L207-M231 VanDerWaalsContact CD2-CE 3.49Å; L207-M231 HydrophobicContact CD2-CG 4.27Å; L207-M231 HydrophobicContact CD2-SD 3.71Å |
| 208 | T | 72.7 | Confident | 69.1 | Low | 93 Ų | 93 | 91.2 Ų | 91.2 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | L204 I205 H212 | L204-T208 WeakPolarHBondContact O-CB 3.48Å; L204-T208 PolarHBondContact O-N 3.14Å; L204-T208 PolarHBondContact O-OG1 3.23Å; I205-T208 PolarHBondContact O-N 3.44Å; T208-H212 WeakPolarHBondContact O-CB 3.15Å; T208-H212 PolarHBondContact O-N 3.48Å |
| 209 | K | 71.9 | Confident | 69 | Low | 152 Ų | 152 | 89.1 Ų | 89.1 | 66% | 0.661 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 174.4 | -70.8 | 179.4 | 178.7 | -175.9 | 0 | 112 | I205 T206 L207 H212 A213 | I205-K209 WeakPolarHBondContact O-CG 3.45Å; I205-K209 PolarHBondContact O-N 2.95Å; I205-K209 VanDerWaalsContact O-N 3.07Å; T206-K209 PolarHBondContact O-N 3.28Å; L207-K209 VanDerWaalsContact C-N 3.29Å; L207-K209 PolarHBondContact O-N 3.1Å; K209-H212 PolarHBondContact O-N 3.27Å; K209-A213 WeakPolarHBondContact O-CB 3.3Å; K209-A213 PolarHBondContact O-N 3.46Å |
| 210 | F | 70.7 | Confident | 69.3 | Low | 107 Ų | 107 | 90.3 Ų | 90.3 | 47% | 0.469 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -43 | 178.9 | -169.4 | -96 | 0 | 0 | 0 | 112.1 | T206 L207 H212 A213 I214 I227 | T206-F210 WeakPolarHBondContact O-CB 3.43Å; T206-F210 PolarHBondContact O-N 3.34Å; L207-F210 PolarHBondContact O-N 3.03Å; F210-H212 VanDerWaalsContact C-N 3.33Å; F210-H212 PolarHBondContact O-N 3.07Å; F210-A213 PolarHBondContact O-N 2.98Å; F210-I214 HydrophobicContact CD1-CD1 3.83Å; F210-I214 HydrophobicContact CD2-CD1 3.58Å; F210-I214 HydrophobicContact CE1-CD1 3.39Å; F210-I214 HydrophobicContact CE2-CD1 3.12Å; F210-I214 HydrophobicContact CG-CD1 3.93Å; F210-I214 HydrophobicContact CZ-CD1 3.03Å; F210-I214 HydrophobicContact CZ-CG1 4.47Å; F210-I214 WeakPolarHBondContact O-CB 3.36Å; F210-I214 PolarHBondContact O-N 2.76Å; F210-I227 HydrophobicContact CD1-CD1 4.47Å |
| 211 | F | 71 | Confident | 69.8 | Low | 96 Ų | 96 | 93.5 Ų | 93.5 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 173.3 | -177.9 | -98.2 | 0 | 0 | 0 | 110.1 | L207 A213 I214 A215 | L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 3.28Å; F211-A213 VanDerWaalsContact C-N 3.33Å; F211-A213 PolarHBondContact O-N 3.41Å; F211-I214 PolarHBondContact O-N 2.88Å; F211-A215 HydrophobicContact CE1-CB 4.42Å; F211-A215 WeakPolarHBondContact O-CA 3.22Å; F211-A215 WeakPolarHBondContact O-CB 3.44Å; F211-A215 PolarHBondContact O-N 3.34Å |
| 212 | H | 73.1 | Confident | 70 | Confident | 163 Ų | 163 | 90.5 Ų | 90.5 | 76% | 0.755 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -36.4 | 178.1 | -166.4 | 67.5 | 0 | 0 | 0 | 113.1 | T208 K209 F210 | T208-H212 WeakPolarHBondContact O-CB 3.15Å; T208-H212 PolarHBondContact O-N 3.48Å; K209-H212 PolarHBondContact O-N 3.27Å; F210-H212 VanDerWaalsContact C-N 3.33Å; F210-H212 PolarHBondContact O-N 3.07Å |
| 213 | A | 70.1 | Confident | 70.5 | Confident | 81 Ų | 81 | 90.1 Ų | 90.1 | 67% | 0.669 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73 | -32.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K209 F210 F211 | K209-A213 WeakPolarHBondContact O-CB 3.3Å; K209-A213 PolarHBondContact O-N 3.46Å; F210-A213 PolarHBondContact O-N 2.98Å; F211-A213 VanDerWaalsContact C-N 3.33Å; F211-A213 PolarHBondContact O-N 3.41Å |
| 214 | I | 70.2 | Confident | 71 | Confident | 66 Ų | 66 | 92.4 Ų | 92.4 | 34% | 0.338 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -113 | -3.3 | -170.6 | -68.1 | 161.9 | 0 | 0 | 0 | 112.6 | F210 F211 S216 I223 | F210-I214 HydrophobicContact CD1-CD1 3.83Å; F210-I214 HydrophobicContact CD2-CD1 3.58Å; F210-I214 HydrophobicContact CE1-CD1 3.39Å; F210-I214 HydrophobicContact CE2-CD1 3.12Å; F210-I214 HydrophobicContact CG-CD1 3.93Å; F210-I214 HydrophobicContact CZ-CD1 3.03Å; F210-I214 HydrophobicContact CZ-CG1 4.47Å; F210-I214 WeakPolarHBondContact O-CB 3.36Å; F210-I214 PolarHBondContact O-N 2.76Å; F211-I214 PolarHBondContact O-N 2.88Å; I214-S216 PolarHBondContact O-N 3.44Å; I214-I223 HydrophobicContact CG2-CD1 3.64Å; I214-I223 HydrophobicContact CG2-CG1 4.28Å |
| 215 | A | 62.8 | Low | 71.5 | Confident | 53 Ų | 53 | 94.3 Ų | 94.3 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | trans | -63.7 | 74.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F211 | F211-A215 HydrophobicContact CE1-CB 4.42Å; F211-A215 WeakPolarHBondContact O-CA 3.22Å; F211-A215 WeakPolarHBondContact O-CB 3.44Å; F211-A215 PolarHBondContact O-N 3.34Å | ||
| 216 | S | 63.8 | Low | 71.9 | Confident | 61 Ų | 61 | 95 Ų | 95 | 43% | 0.427 | 52% | 0.517 | S | S | . | . | trans | -81.9 | 140.1 | 155.4 | 89.8 | 0 | 0 | 0 | 0 | 107.3 | I214 K218 S219 | I214-S216 PolarHBondContact O-N 3.44Å; S216-K218 PolarHBondContact O-N 3.06Å; S216-S219 PolarHBondContact OG-OG 3.35Å | ||
| 217 | T | 61.1 | Low | 72.2 | Confident | 141 Ų | 141 | 91.6 Ų | 91.6 | 87% | 0.865 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -12.8 | -178 | -43.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 218 | K | 62 | Low | 73 | Confident | 201 Ų | 201 | 92.6 Ų | 92.6 | 87% | 0.874 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -21.9 | -168.5 | -64.7 | -68.2 | -174.8 | 171.1 | 0 | 115.3 | S216 | S216-K218 PolarHBondContact O-N 3.06Š|
| 219 | S | 69.2 | Low | 73.7 | Confident | 47 Ų | 47 | 94.6 Ų | 94.6 | 33% | 0.329 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 9.2 | -172.3 | 54.4 | 0 | 0 | 0 | 0 | 115.1 | S216 N221 I222 I223 | S216-S219 PolarHBondContact OG-OG 3.35Å; S219-N221 VanDerWaalsContact C-N 3.32Å; S219-N221 PolarHBondContact O-N 3.4Å; S219-N221 VanDerWaalsContact O-N 3.13Å; S219-I222 PolarHBondContact O-N 3.3Å; S219-I223 WeakPolarHBondContact O-CG1 3.46Å; S219-I223 PolarHBondContact O-N 3.33Å; S219-I223 WeakPolarHBondContact OG-CD1 3.47Å |
| 220 | S | 72.9 | Confident | 74.2 | Confident | 46 Ų | 46 | 91.3 Ų | 91.3 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -48.5 | -45.7 | -172 | -172.3 | 0 | 0 | 0 | 0 | 113.9 | I222 I223 V224 | S220-I222 PolarHBondContact O-N 3.45Å; S220-I223 PolarHBondContact O-N 2.95Å; S220-V224 WeakPolarHBondContact O-CB 3.44Å; S220-V224 VanDerWaalsContact O-CG2 3.23Å; S220-V224 WeakPolarHBondContact O-CG2 2.97Å; S220-V224 PolarHBondContact O-N 3.27Å |
| 221 | N | 78.6 | Confident | 74.6 | Confident | 136 Ų | 136 | 89.6 Ų | 89.6 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | -175.1 | -66.7 | -11.4 | 0 | 0 | 0 | 113.5 | S219 V224 L225 | S219-N221 VanDerWaalsContact C-N 3.32Å; S219-N221 PolarHBondContact O-N 3.4Å; S219-N221 VanDerWaalsContact O-N 3.13Å; N221-V224 PolarHBondContact O-N 3.49Å; N221-L225 WeakPolarHBondContact O-CG 3.43Å; N221-L225 PolarHBondContact O-N 2.93Å |
| 222 | I | 80.6 | Confident | 75.1 | Confident | 116 Ų | 116 | 86.7 Ų | 86.7 | 60% | 0.595 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 179.3 | -63.3 | 171.7 | 0 | 0 | 0 | 109.7 | S219 S220 V224 L225 I226 | S219-I222 PolarHBondContact O-N 3.3Å; S220-I222 PolarHBondContact O-N 3.45Å; I222-V224 VanDerWaalsContact C-N 3.32Å; I222-V224 PolarHBondContact O-N 3.49Å; I222-L225 PolarHBondContact O-N 2.87Å; I222-I226 HydrophobicContact CG2-CD1 3.81Å; I222-I226 HydrophobicContact CG2-CG1 4.39Å; I222-I226 WeakPolarHBondContact O-CG1 3.33Å; I222-I226 PolarHBondContact O-N 3.14Å |
| 223 | I | 77.6 | Confident | 75.6 | Confident | 24 Ų | 24 | 82.6 Ų | 82.6 | 12% | 0.123 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 177.2 | -65.9 | 160 | 0 | 0 | 0 | 110 | I214 S219 S220 L225 I226 I227 | I214-I223 HydrophobicContact CG2-CD1 3.64Å; I214-I223 HydrophobicContact CG2-CG1 4.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.46Å; S219-I223 PolarHBondContact O-N 3.33Å; S219-I223 WeakPolarHBondContact OG-CD1 3.47Å; S220-I223 PolarHBondContact O-N 2.95Å; I223-L225 PolarHBondContact O-N 3.2Å; I223-I226 PolarHBondContact O-N 3.27Å; I223-I227 HydrophobicContact CG2-CD1 3.51Å; I223-I227 HydrophobicContact CG2-CG1 4.23Å; I223-I227 VanDerWaalsContact O-CB 3.24Å; I223-I227 WeakPolarHBondContact O-CB 3.37Å; I223-I227 WeakPolarHBondContact O-CG1 3.32Å; I223-I227 PolarHBondContact O-N 3.47Å |
| 224 | V | 79.3 | Confident | 76.1 | Confident | 70 Ų | 70 | 80.3 Ų | 80.3 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | S220 N221 I222 I227 A228 | S220-V224 WeakPolarHBondContact O-CB 3.44Å; S220-V224 VanDerWaalsContact O-CG2 3.23Å; S220-V224 WeakPolarHBondContact O-CG2 2.97Å; S220-V224 PolarHBondContact O-N 3.27Å; N221-V224 PolarHBondContact O-N 3.49Å; I222-V224 VanDerWaalsContact C-N 3.32Å; I222-V224 PolarHBondContact O-N 3.49Å; V224-I227 PolarHBondContact O-N 2.82Å; V224-A228 WeakPolarHBondContact O-CB 3.03Å; V224-A228 PolarHBondContact O-N 2.71Å |
| 225 | L | 83.8 | Confident | 76.4 | Confident | 128 Ų | 128 | 83 Ų | 83 | 67% | 0.67 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.4 | -45.6 | 176.2 | -73.6 | 172.5 | 0 | 0 | 0 | 112.5 | N221 I222 I223 I227 A228 Q229 | N221-L225 WeakPolarHBondContact O-CG 3.43Å; N221-L225 PolarHBondContact O-N 2.93Å; I222-L225 PolarHBondContact O-N 2.87Å; I223-L225 PolarHBondContact O-N 3.2Å; L225-I227 VanDerWaalsContact C-N 3.3Å; L225-I227 PolarHBondContact O-N 2.89Å; L225-A228 PolarHBondContact O-N 3.2Å; L225-Q229 PolarHBondContact O-N 3.01Å |
| 226 | I | 82.5 | Confident | 77.1 | Confident | 97 Ų | 97 | 84.4 Ų | 84.4 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.5 | -69 | 170.5 | 0 | 0 | 0 | 110.2 | I222 I223 Q229 I230 | I222-I226 HydrophobicContact CG2-CD1 3.81Å; I222-I226 HydrophobicContact CG2-CG1 4.39Å; I222-I226 WeakPolarHBondContact O-CG1 3.33Å; I222-I226 PolarHBondContact O-N 3.14Å; I223-I226 PolarHBondContact O-N 3.27Å; I226-Q229 PolarHBondContact O-N 2.91Å; I226-I230 HydrophobicContact CG2-CD1 3.81Å; I226-I230 HydrophobicContact CG2-CG1 4.48Å; I226-I230 VanDerWaalsContact O-CG1 3.29Å; I226-I230 WeakPolarHBondContact O-CG1 3.29Å; I226-I230 PolarHBondContact O-N 3.49Å |
| 227 | I | 76.5 | Confident | 77.7 | Confident | 13 Ų | 13 | 83 Ų | 83 | 7% | 0.067 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 177 | -77 | 174.9 | 0 | 0 | 0 | 111.3 | L207 F210 I223 V224 L225 Q229 I230 M231 | L207-I227 HydrophobicContact CD1-CB 4.17Å; L207-I227 HydrophobicContact CD1-CD1 3.88Å; L207-I227 HydrophobicContact CD1-CG1 3.76Å; L207-I227 HydrophobicContact CD1-CG2 3.52Å; L207-I227 HydrophobicContact CD2-CG2 3.56Å; L207-I227 HydrophobicContact CG-CG2 4Å; F210-I227 HydrophobicContact CD1-CD1 4.47Å; I223-I227 HydrophobicContact CG2-CD1 3.51Å; I223-I227 HydrophobicContact CG2-CG1 4.23Å; I223-I227 VanDerWaalsContact O-CB 3.24Å; I223-I227 WeakPolarHBondContact O-CB 3.37Å; I223-I227 WeakPolarHBondContact O-CG1 3.32Å; I223-I227 PolarHBondContact O-N 3.47Å; V224-I227 PolarHBondContact O-N 2.82Å; L225-I227 VanDerWaalsContact C-N 3.3Å; L225-I227 PolarHBondContact O-N 2.89Å; I227-Q229 VanDerWaalsContact C-N 3.31Å; I227-Q229 PolarHBondContact O-N 3.36Å; I227-I230 PolarHBondContact O-N 3.17Å; I227-M231 HydrophobicContact CG2-CE 3.52Å; I227-M231 WeakPolarHBondContact O-CB 3.17Å; I227-M231 WeakPolarHBondContact O-CG 3.4Å; I227-M231 PolarHBondContact O-N 2.87Å |
| 228 | A | 83.2 | Confident | 78.1 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 45% | 0.446 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V224 L225 M231 G232 | V224-A228 WeakPolarHBondContact O-CB 3.03Å; V224-A228 PolarHBondContact O-N 2.71Å; L225-A228 PolarHBondContact O-N 3.2Å; A228-M231 PolarHBondContact O-N 3.31Å; A228-G232 PolarHBondContact O-N 3.49Å |
| 229 | Q | 87.2 | Confident | 78.5 | Confident | 134 Ų | 134 | 70.5 Ų | 70.5 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 175.3 | -173.9 | 64 | 10.7 | 0 | 0 | 112.2 | L225 I226 I227 M231 G232 T233 | L225-Q229 PolarHBondContact O-N 3.01Å; I226-Q229 PolarHBondContact O-N 2.91Å; I227-Q229 VanDerWaalsContact C-N 3.31Å; I227-Q229 PolarHBondContact O-N 3.36Å; Q229-M231 VanDerWaalsContact C-N 3.33Å; Q229-G232 PolarHBondContact O-N 3.45Å; Q229-T233 WeakPolarHBondContact O-CB 3.21Å; Q229-T233 WeakPolarHBondContact O-CG2 3.3Å; Q229-T233 PolarHBondContact O-N 3.1Å; Q229-T233 PolarHBondContact O-OG1 3.2Å |
| 230 | I | 82.7 | Confident | 78.5 | Confident | 84 Ų | 84 | 72 Ų | 72 | 43% | 0.431 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.1 | -68 | 167.1 | 0 | 0 | 0 | 110.4 | I226 I227 T233 Y234 | I226-I230 HydrophobicContact CG2-CD1 3.81Å; I226-I230 HydrophobicContact CG2-CG1 4.48Å; I226-I230 VanDerWaalsContact O-CG1 3.29Å; I226-I230 WeakPolarHBondContact O-CG1 3.29Å; I226-I230 PolarHBondContact O-N 3.49Å; I227-I230 PolarHBondContact O-N 3.17Å; I230-T233 WeakPolarHBondContact CA-OG1 3.39Å; I230-T233 PolarHBondContact O-OG1 2.82Å; I230-Y234 WeakPolarHBondContact O-CB 3.46Å; I230-Y234 PolarHBondContact O-N 3.12Å |
| 231 | M | 78 | Confident | 78.1 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 35% | 0.345 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 176.6 | -76.9 | -158 | -92.3 | 0 | 0 | 112.3 | L203 L207 I227 A228 Q229 Y234 F235 | L203-M231 HydrophobicContact CD2-CG 3.87Å; L203-M231 HydrophobicContact CD2-SD 4.13Å; L207-M231 HydrophobicContact CD2-CE 3.49Å; L207-M231 VanDerWaalsContact CD2-CE 3.49Å; L207-M231 HydrophobicContact CD2-CG 4.27Å; L207-M231 HydrophobicContact CD2-SD 3.71Å; I227-M231 HydrophobicContact CG2-CE 3.52Å; I227-M231 WeakPolarHBondContact O-CB 3.17Å; I227-M231 WeakPolarHBondContact O-CG 3.4Å; I227-M231 PolarHBondContact O-N 2.87Å; A228-M231 PolarHBondContact O-N 3.31Å; Q229-M231 VanDerWaalsContact C-N 3.33Å; M231-Y234 PolarHBondContact O-N 2.8Å; M231-F235 VanDerWaalsContact O-CB 3.32Å; M231-F235 WeakPolarHBondContact O-CB 3.33Å; M231-F235 PolarHBondContact O-N 3.13Å |
| 232 | G | 82.4 | Confident | 77.4 | Confident | 36 Ų | 36 | 68 Ų | 68 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A228 Q229 Y234 F235 V236 | A228-G232 PolarHBondContact O-N 3.49Å; Q229-G232 PolarHBondContact O-N 3.45Å; G232-Y234 PolarHBondContact O-N 3.28Å; G232-F235 PolarHBondContact O-N 2.62Å; G232-V236 VanDerWaalsContact O-CG2 3.31Å; G232-V236 WeakPolarHBondContact O-CG2 2.76Å; G232-V236 PolarHBondContact O-N 3.1Å |
| 233 | T | 83.3 | Confident | 76.5 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 47% | 0.466 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 178 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | Q229 I230 S237 | Q229-T233 WeakPolarHBondContact O-CB 3.21Å; Q229-T233 WeakPolarHBondContact O-CG2 3.3Å; Q229-T233 PolarHBondContact O-N 3.1Å; Q229-T233 PolarHBondContact O-OG1 3.2Å; I230-T233 WeakPolarHBondContact CA-OG1 3.39Å; I230-T233 PolarHBondContact O-OG1 2.82Å; T233-S237 VanDerWaalsContact O-CB 3.31Å; T233-S237 WeakPolarHBondContact O-CB 3.11Å; T233-S237 PolarHBondContact O-N 3.49Å |
| 234 | Y | 80.3 | Confident | 75.5 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 13% | 0.129 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.8 | -172.4 | -89.4 | 0 | 0 | 0 | 111.6 | M1 L4 S199 L203 I230 M231 G232 S237 S238 | M1-Y234 HydrophobicContact CE-CD1 3.56Å; M1-Y234 HydrophobicContact CE-CD2 3.7Å; M1-Y234 HydrophobicContact CE-CE1 3.23Å; M1-Y234 HydrophobicContact CE-CE2 3.39Å; M1-Y234 HydrophobicContact CE-CG 3.8Å; M1-Y234 HydrophobicContact CG-CD2 4.26Å; M1-Y234 HydrophobicContact CG-CE2 4.28Å; M1-Y234 HydrophobicContact SD-CD2 3.58Å; M1-Y234 VanDerWaalsContact SD-CD2 3.58Å; M1-Y234 HydrophobicContact SD-CE1 4.1Å; M1-Y234 HydrophobicContact SD-CE2 3.06Å; M1-Y234 WeakPolarHBondContact SD-CE2 3.18Å; M1-Y234 HydrophobicContact SD-CG 4.29Å; L4-Y234 HydrophobicContact CD1-CD2 3.64Å; L4-Y234 HydrophobicContact CD1-CE2 3.55Å; S199-Y234 WeakPolarHBondContact CB-OH 3.47Å; S199-Y234 PolarHBondContact O-OH 2.79Å; L203-Y234 HydrophobicContact CB-CE1 4.19Å; L203-Y234 HydrophobicContact CD1-CD1 3.29Å; L203-Y234 HydrophobicContact CD1-CD2 3.58Å; L203-Y234 HydrophobicContact CD1-CE1 3.65Å; L203-Y234 HydrophobicContact CD1-CE2 3.9Å; L203-Y234 HydrophobicContact CD1-CG 3.24Å; I230-Y234 WeakPolarHBondContact O-CB 3.46Å; I230-Y234 PolarHBondContact O-N 3.12Å; M231-Y234 PolarHBondContact O-N 2.8Å; G232-Y234 PolarHBondContact O-N 3.28Å; Y234-S237 CarbonylContact O-C 3.59Å; Y234-S237 PolarHBondContact O-N 3.15Å; Y234-S238 PolarHBondContact O-N 3.11Å; Y234-S238 PolarHBondContact O-OG 3.03Å |
| 235 | F | 75.7 | Confident | 74.3 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 54% | 0.544 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 177.7 | 178.1 | -101 | 0 | 0 | 0 | 111.5 | M231 G232 S237 S238 V239 | M231-F235 VanDerWaalsContact O-CB 3.32Å; M231-F235 WeakPolarHBondContact O-CB 3.33Å; M231-F235 PolarHBondContact O-N 3.13Å; G232-F235 PolarHBondContact O-N 2.62Å; F235-S237 VanDerWaalsContact C-N 3.29Å; F235-S237 PolarHBondContact O-N 3.39Å; F235-S238 WeakPolarHBondContact O-CB 3.36Å; F235-S238 PolarHBondContact O-N 2.98Å; F235-S238 VanDerWaalsContact O-N 3.13Å; F235-V239 HydrophobicContact CD1-CG2 4.34Å; F235-V239 HydrophobicContact CE1-CG2 3.96Å; F235-V239 HydrophobicContact CE2-CG2 4.27Å; F235-V239 HydrophobicContact CZ-CG2 3.92Å; F235-V239 WeakPolarHBondContact O-CG2 3.23Å; F235-V239 PolarHBondContact O-N 2.96Å |
| 236 | V | 78.2 | Confident | 73.1 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | G232 V239 L240 | G232-V236 VanDerWaalsContact O-CG2 3.31Å; G232-V236 WeakPolarHBondContact O-CG2 2.76Å; G232-V236 PolarHBondContact O-N 3.1Å; V236-V239 PolarHBondContact O-N 2.82Å; V236-L240 HydrophobicContact CG1-CD1 4.18Å; V236-L240 HydrophobicContact CG1-CG 4.5Å; V236-L240 WeakPolarHBondContact O-CG 3.32Å; V236-L240 PolarHBondContact O-N 3.26Å |
| 237 | S | 76.9 | Confident | 71.9 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.5 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | M1 T233 Y234 F235 L241 | M1-S237 WeakPolarHBondContact CB-OG 3.45Å; M1-S237 WeakPolarHBondContact CG-OG 3.42Å; T233-S237 VanDerWaalsContact O-CB 3.31Å; T233-S237 WeakPolarHBondContact O-CB 3.11Å; T233-S237 PolarHBondContact O-N 3.49Å; Y234-S237 CarbonylContact O-C 3.59Å; Y234-S237 PolarHBondContact O-N 3.15Å; F235-S237 VanDerWaalsContact C-N 3.29Å; F235-S237 PolarHBondContact O-N 3.39Å; S237-L241 VanDerWaalsContact O-CG 3.27Å; S237-L241 WeakPolarHBondContact O-CG 2.96Å; S237-L241 PolarHBondContact O-N 2.78Å |
| 238 | S | 70.1 | Confident | 71.1 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 171.9 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | M1 Y234 F235 L240 L241 L242 | M1-S238 WeakPolarHBondContact CE-OG 3.41Å; Y234-S238 PolarHBondContact O-N 3.11Å; Y234-S238 PolarHBondContact O-OG 3.03Å; F235-S238 WeakPolarHBondContact O-CB 3.36Å; F235-S238 PolarHBondContact O-N 2.98Å; F235-S238 VanDerWaalsContact O-N 3.13Å; S238-L240 VanDerWaalsContact C-N 3.33Å; S238-L240 PolarHBondContact O-N 3.38Å; S238-L241 CarbonylContact O-C 3.56Å; S238-L241 WeakPolarHBondContact O-CA 3.39Å; S238-L241 WeakPolarHBondContact O-CB 3.09Å; S238-L241 PolarHBondContact O-N 3.21Å; S238-L242 VanDerWaalsContact O-CG 3.29Å; S238-L242 WeakPolarHBondContact O-CG 3.38Å; S238-L242 PolarHBondContact O-N 2.85Å |
| 239 | V | 69.1 | Low | 70 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 42% | 0.418 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | -179.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | F235 V236 L241 L242 R243 | F235-V239 HydrophobicContact CD1-CG2 4.34Å; F235-V239 HydrophobicContact CE1-CG2 3.96Å; F235-V239 HydrophobicContact CE2-CG2 4.27Å; F235-V239 HydrophobicContact CZ-CG2 3.92Å; F235-V239 WeakPolarHBondContact O-CG2 3.23Å; F235-V239 PolarHBondContact O-N 2.96Å; V236-V239 PolarHBondContact O-N 2.82Å; V239-L241 VanDerWaalsContact C-N 3.31Å; V239-L241 PolarHBondContact O-N 3.25Å; V239-L242 WeakPolarHBondContact O-CB 3.19Å; V239-L242 PolarHBondContact O-N 3.37Å; V239-L242 VanDerWaalsContact O-N 3.1Å; V239-R243 PolarHBondContact O-N 3.04Å |
| 240 | L | 69.4 | Low | 68.7 | Low | 79 Ų | 79 | 61.7 Ų | 61.7 | 41% | 0.414 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 173.7 | -71.8 | 174.4 | 0 | 0 | 0 | 112.4 | V236 S238 L242 R243 L258 | V236-L240 HydrophobicContact CG1-CD1 4.18Å; V236-L240 HydrophobicContact CG1-CG 4.5Å; V236-L240 WeakPolarHBondContact O-CG 3.32Å; V236-L240 PolarHBondContact O-N 3.26Å; S238-L240 VanDerWaalsContact C-N 3.33Å; S238-L240 PolarHBondContact O-N 3.38Å; L240-L242 VanDerWaalsContact C-N 3.3Å; L240-L242 PolarHBondContact O-N 3.2Å; L240-R243 WeakPolarHBondContact O-CB 3.46Å; L240-R243 PolarHBondContact O-N 2.9Å; L240-L258 HydrophobicContact CD2-CD2 4.36Å |
| 241 | L | 65.7 | Low | 67.8 | Low | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.1 | -24.9 | 174.2 | -71.8 | 169.4 | 0 | 0 | 0 | 112.8 | M1 S237 S238 V239 R243 M244 N245 | M1-L241 HydrophobicContact CB-CD1 4.3Å; M1-L241 HydrophobicContact CG-CD1 3.97Å; S237-L241 VanDerWaalsContact O-CG 3.27Å; S237-L241 WeakPolarHBondContact O-CG 2.96Å; S237-L241 PolarHBondContact O-N 2.78Å; S238-L241 CarbonylContact O-C 3.56Å; S238-L241 WeakPolarHBondContact O-CA 3.39Å; S238-L241 WeakPolarHBondContact O-CB 3.09Å; S238-L241 PolarHBondContact O-N 3.21Å; V239-L241 VanDerWaalsContact C-N 3.31Å; V239-L241 PolarHBondContact O-N 3.25Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-M244 HydrophobicContact CD2-SD 4.42Å; L241-M244 WeakPolarHBondContact O-CB 3.37Å; L241-M244 PolarHBondContact O-N 2.89Å; L241-N245 PolarHBondContact O-ND2 3.43Å |
| 242 | L | 62.6 | Low | 67 | Low | 39 Ų | 39 | 64 Ų | 64 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 173.7 | -49.2 | -177.1 | 0 | 0 | 0 | 111.1 | V192 V196 S238 V239 L240 M244 N245 M246 | V192-L242 HydrophobicContact CG1-CB 3.97Å; V192-L242 HydrophobicContact CG1-CD1 4.42Å; V192-L242 HydrophobicContact CG1-CD2 3.33Å; V192-L242 HydrophobicContact CG1-CG 4.04Å; V196-L242 HydrophobicContact CG2-CD1 3.87Å; V196-L242 HydrophobicContact CG2-CD2 3.13Å; V196-L242 HydrophobicContact CG2-CG 4.09Å; S238-L242 VanDerWaalsContact O-CG 3.29Å; S238-L242 WeakPolarHBondContact O-CG 3.38Å; S238-L242 PolarHBondContact O-N 2.85Å; V239-L242 WeakPolarHBondContact O-CB 3.19Å; V239-L242 PolarHBondContact O-N 3.37Å; V239-L242 VanDerWaalsContact O-N 3.1Å; L240-L242 VanDerWaalsContact C-N 3.3Å; L240-L242 PolarHBondContact O-N 3.2Å; L242-M244 PolarHBondContact O-N 3.44Å; L242-M244 VanDerWaalsContact O-N 3.14Å; L242-N245 PolarHBondContact O-N 2.88Å; L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 2.67Å |
| 243 | R | 61.4 | Low | 65.9 | Low | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.6 | -32.7 | 176.1 | -177.3 | -172.5 | -167.5 | 170.7 | -2.7 | 112.1 | V239 L240 L241 N245 L254 N255 L258 | V239-R243 PolarHBondContact O-N 3.04Å; L240-R243 WeakPolarHBondContact O-CB 3.46Å; L240-R243 PolarHBondContact O-N 2.9Å; L241-R243 VanDerWaalsContact C-N 3.34Å; R243-N245 VanDerWaalsContact C-N 3.33Å; R243-L254 HydrophobicContact CB-CD2 3.97Å; R243-L254 HydrophobicContact CG-CB 4.46Å; R243-L254 HydrophobicContact CG-CD2 3.53Å; R243-L254 VanDerWaalsContact NH2-C 3.3Å; R243-L254 PolarHBondContact NH2-O 3.41Å; R243-L254 VanDerWaalsContact NH2-O 3.14Å; R243-N255 PolarHBondContact NH2-OD1 3.33Å; R243-L258 VanDerWaalsContact NH1-CB 3.31Å |
| 244 | M | 56.2 | Low | 64.6 | Low | 47 Ų | 47 | 67 Ų | 67 | 23% | 0.232 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.9 | -29.4 | -179.3 | -56.2 | -138.2 | 63.3 | 0 | 0 | 113.1 | L241 L242 F263 H267 | L241-M244 HydrophobicContact CD2-SD 4.42Å; L241-M244 WeakPolarHBondContact O-CB 3.37Å; L241-M244 PolarHBondContact O-N 2.89Å; L242-M244 PolarHBondContact O-N 3.44Å; L242-M244 VanDerWaalsContact O-N 3.14Å; M244-F263 HydrophobicContact CE-CD1 4.42Å; M244-H267 VanDerWaalsContact CE-CE1 3.45Å; M244-H267 WeakPolarHBondContact CE-CE1 3.34Å; M244-H267 WeakPolarHBondContact CE-NE2 3.4Å; M244-H267 VanDerWaalsContact SD-CE1 3.51Å; M244-H267 PolarHBondContact SD-NE2 3.25Å |
| 245 | N | 55.9 | Low | 63.9 | Low | 46 Ų | 46 | 67.2 Ų | 67.2 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.4 | -179.5 | -66 | -77 | 0 | 0 | 0 | 112.5 | V192 L241 L242 R243 | V192-N245 HydrophobicContact CG2-CB 3.21Å; L241-N245 PolarHBondContact O-ND2 3.43Å; L242-N245 PolarHBondContact O-N 2.88Å; R243-N245 VanDerWaalsContact C-N 3.33Å |
| 246 | M | 58.5 | Low | 63.6 | Low | 84 Ų | 84 | 69.2 Ų | 69.2 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -78.6 | 143.3 | 174.3 | -78.3 | -179.1 | 174.7 | 0 | 0 | 110.7 | L242 | L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 2.67Å |
| 247 | T | 56 | Low | 63 | Low | 32 Ų | 32 | 71 Ų | 71 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | trans | -58.7 | 150.8 | 174.3 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | Q185 E249 Y250 R251 | Q185-T247 HydrophobicContact CB-CG2 3.85Å; Q185-T247 HydrophobicContact CG-CG2 4Å; T247-E249 PolarHBondContact O-N 3.44Å; T247-Y250 PolarHBondContact O-N 3.38Å; T247-Y250 VanDerWaalsContact O-N 3.09Å; T247-Y250 WeakPolarHBondContact OG1-CD2 3.48Å; T247-R251 PolarHBondContact O-N 3.34Å | ||
| 248 | A | 60.1 | Low | 62.3 | Low | 55 Ų | 55 | 73.1 Ų | 73.1 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.6 | -28.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R251 N252 | A248-R251 WeakPolarHBondContact O-CB 3.32Å; A248-R251 PolarHBondContact O-N 3.45Å; A248-N252 PolarHBondContact O-N 2.86Å |
| 249 | E | 61.1 | Low | 62.1 | Low | 130 Ų | 130 | 74.4 Ų | 74.4 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.2 | -44.7 | 179.2 | -63.8 | -178.6 | 177.8 | 0 | 0 | 112.5 | T247 R251 N252 | T247-E249 PolarHBondContact O-N 3.44Å; E249-R251 VanDerWaalsContact C-N 3.34Å; E249-N252 PolarHBondContact O-N 2.87Å |
| 250 | Y | 59.8 | Low | 61.7 | Low | 103 Ų | 103 | 78.3 Ų | 78.3 | 40% | 0.404 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -73.2 | -29.8 | 176.4 | -64.2 | -84.2 | 0 | 0 | 0 | 111.9 | Q185 T247 N252 M253 L254 | Q185-Y250 VanDerWaalsContact NE2-CE2 3.27Å; Q185-Y250 PolarHBondContact NE2-OH 2.88Å; T247-Y250 PolarHBondContact O-N 3.38Å; T247-Y250 VanDerWaalsContact O-N 3.09Å; T247-Y250 WeakPolarHBondContact OG1-CD2 3.48Å; Y250-N252 VanDerWaalsContact C-N 3.27Å; Y250-N252 PolarHBondContact O-N 3.3Å; Y250-M253 HydrophobicContact CD1-CE 4.17Å; Y250-M253 HydrophobicContact CE1-CE 4.42Å; Y250-M253 PolarHBondContact O-N 3.22Å; Y250-L254 PolarHBondContact O-N 2.94Å |
| 251 | R | 62.5 | Low | 61.4 | Low | 105 Ų | 105 | 77 Ų | 77 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 174.8 | -168.7 | 175.1 | 68.5 | -170.3 | 3 | 111.5 | T247 A248 E249 L254 N255 | T247-R251 PolarHBondContact O-N 3.34Å; A248-R251 WeakPolarHBondContact O-CB 3.32Å; A248-R251 PolarHBondContact O-N 3.45Å; E249-R251 VanDerWaalsContact C-N 3.34Å; R251-L254 PolarHBondContact O-N 3.27Å; R251-N255 WeakPolarHBondContact O-CB 3.48Å; R251-N255 PolarHBondContact O-N 3.27Å; R251-N255 PolarHBondContact O-OD1 3.09Å |
| 252 | N | 61.7 | Low | 61.5 | Low | 97 Ų | 97 | 80.8 Ų | 80.8 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 178.4 | -71.5 | -11.1 | 0 | 0 | 0 | 112.3 | A248 E249 Y250 L254 N255 Q256 | A248-N252 PolarHBondContact O-N 2.86Å; E249-N252 PolarHBondContact O-N 2.87Å; Y250-N252 VanDerWaalsContact C-N 3.27Å; Y250-N252 PolarHBondContact O-N 3.3Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 3.46Å; N252-N255 PolarHBondContact O-N 2.91Å; N252-Q256 PolarHBondContact O-N 3.4Å |
| 253 | M | 59.8 | Low | 61.5 | Low | 115 Ų | 115 | 81.6 Ų | 81.6 | 57% | 0.567 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.9 | -39.6 | 173.4 | -79.6 | -168.4 | -95.3 | 0 | 0 | 111.9 | Y250 Q256 | Y250-M253 HydrophobicContact CD1-CE 4.17Å; Y250-M253 HydrophobicContact CE1-CE 4.42Å; Y250-M253 PolarHBondContact O-N 3.22Å; M253-Q256 PolarHBondContact O-N 2.99Å |
| 254 | L | 56.4 | Low | 61.8 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 31% | 0.314 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -74 | -30.2 | 179.2 | -136.1 | 90.8 | 0 | 0 | 0 | 113.2 | R243 Y250 R251 N252 Q256 V257 L258 | R243-L254 HydrophobicContact CB-CD2 3.97Å; R243-L254 HydrophobicContact CG-CB 4.46Å; R243-L254 HydrophobicContact CG-CD2 3.53Å; R243-L254 VanDerWaalsContact NH2-C 3.3Å; R243-L254 PolarHBondContact NH2-O 3.41Å; R243-L254 VanDerWaalsContact NH2-O 3.14Å; Y250-L254 PolarHBondContact O-N 2.94Å; R251-L254 PolarHBondContact O-N 3.27Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 3.46Å; L254-Q256 VanDerWaalsContact C-N 3.26Å; L254-Q256 PolarHBondContact O-N 2.9Å; L254-V257 PolarHBondContact O-N 3.28Å; L254-L258 HydrophobicContact CD2-CD1 3.84Å; L254-L258 HydrophobicContact CG-CD1 3.72Å; L254-L258 PolarHBondContact O-N 2.84Å |
| 255 | N | 65.5 | Low | 62.6 | Low | 39 Ų | 39 | 89.7 Ų | 89.7 | 21% | 0.209 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.3 | -36 | 171 | -74 | 1.9 | 0 | 0 | 0 | 112 | R243 R251 N252 V257 G259 | R243-N255 PolarHBondContact NH2-OD1 3.33Å; R251-N255 WeakPolarHBondContact O-CB 3.48Å; R251-N255 PolarHBondContact O-N 3.27Å; R251-N255 PolarHBondContact O-OD1 3.09Å; N252-N255 PolarHBondContact O-N 2.91Å; N255-V257 VanDerWaalsContact C-N 3.33Å; N255-V257 PolarHBondContact O-N 3.4Å; N255-G259 WeakPolarHBondContact O-CA 3.34Å; N255-G259 PolarHBondContact O-N 3.44Å; N255-G259 VanDerWaalsContact O-N 3.11Å |
| 256 | Q | 68.9 | Low | 63.4 | Low | 166 Ų | 166 | 94 Ų | 94 | 78% | 0.776 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.6 | -34 | 175.3 | -69.9 | 177.1 | -13.3 | 0 | 0 | 112.8 | N252 M253 L254 | N252-Q256 PolarHBondContact O-N 3.4Å; M253-Q256 PolarHBondContact O-N 2.99Å; L254-Q256 VanDerWaalsContact C-N 3.26Å; L254-Q256 PolarHBondContact O-N 2.9Å |
| 257 | V | 66.3 | Low | 64 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 72% | 0.715 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -87.1 | -36.8 | -176.1 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | L254 N255 | L254-V257 PolarHBondContact O-N 3.28Å; N255-V257 VanDerWaalsContact C-N 3.33Å; N255-V257 PolarHBondContact O-N 3.4Å |
| 258 | L | 62.3 | Low | 65 | Low | 77 Ų | 77 | 97.5 Ų | 97.5 | 40% | 0.403 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -101.1 | 1.5 | -175.3 | -81 | 90.1 | 0 | 0 | 0 | 114 | L240 R243 L254 L261 | L240-L258 HydrophobicContact CD2-CD2 4.36Å; R243-L258 VanDerWaalsContact NH1-CB 3.31Å; L254-L258 HydrophobicContact CD2-CD1 3.84Å; L254-L258 HydrophobicContact CG-CD1 3.72Å; L254-L258 PolarHBondContact O-N 2.84Å; L258-L261 HydrophobicContact CB-CD1 3.87Å; L258-L261 HydrophobicContact CD2-CD1 4.18Å; L258-L261 WeakPolarHBondContact O-CD1 3.05Å |
| 259 | G | 64.1 | Low | 66 | Low | 36 Ų | 36 | 100.5 Ų | 100.5 | 37% | 0.371 | 48% | 0.478 | S | S | . | . | trans | 67.7 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N255 L261 | N255-G259 WeakPolarHBondContact O-CA 3.34Å; N255-G259 PolarHBondContact O-N 3.44Å; N255-G259 VanDerWaalsContact O-N 3.11Å; G259-L261 PolarHBondContact O-N 3.36Å | ||
| 260 | D | 61.8 | Low | 67 | Low | 151 Ų | 151 | 96.5 Ų | 96.5 | 81% | 0.807 | 46% | 0.458 | S | S | * | . | trans | -71.7 | 73 | 173.3 | -84.1 | -21.8 | 0 | 0 | 0 | 110.5 | Q262 | D260-Q262 PolarHBondContact O-N 3.46Š| ||
| 261 | L | 62.4 | Low | 68 | Low | 53 Ų | 53 | 92.7 Ų | 92.7 | 28% | 0.277 | 45% | 0.445 | S | S | . | . | trans | -59.5 | 126.3 | 162.9 | -86.1 | 133.9 | 0 | 0 | 0 | 108.2 | L258 G259 F263 Y266 | L258-L261 HydrophobicContact CB-CD1 3.87Å; L258-L261 HydrophobicContact CD2-CD1 4.18Å; L258-L261 WeakPolarHBondContact O-CD1 3.05Å; G259-L261 PolarHBondContact O-N 3.36Å; L261-F263 WeakPolarHBondContact O-CD2 3.2Å; L261-F263 WeakPolarHBondContact O-CE2 3.28Å; L261-F263 PolarHBondContact O-N 2.85Å; L261-Y266 HydrophobicContact CB-CE2 4.47Å; L261-Y266 HydrophobicContact CD2-CD2 4.42Å; L261-Y266 HydrophobicContact CD2-CE2 3.52Å | ||
| 262 | Q | 67.4 | Low | 69.1 | Low | 136 Ų | 136 | 89.8 Ų | 89.8 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | trans | -67.1 | 79.3 | 177 | -66.3 | -178.7 | -26.8 | 0 | 0 | 110.5 | D260 H264 F265 Y266 | D260-Q262 PolarHBondContact O-N 3.46Å; Q262-H264 PolarHBondContact O-N 3.21Å; Q262-H264 VanDerWaalsContact O-N 3.08Å; Q262-F265 HydrophobicContact CB-CB 4.04Å; Q262-F265 WeakPolarHBondContact O-CB 3.48Å; Q262-F265 PolarHBondContact O-N 3.33Å; Q262-Y266 VanDerWaalsContact O-CD2 3.28Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.36Å; Q262-Y266 PolarHBondContact O-N 3.04Å | ||
| 263 | F | 64.3 | Low | 70.2 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -52.6 | -35.4 | -179.1 | -67.9 | -79.5 | 0 | 0 | 0 | 112.2 | M244 L261 F265 Y266 H267 | M244-F263 HydrophobicContact CE-CD1 4.42Å; L261-F263 WeakPolarHBondContact O-CD2 3.2Å; L261-F263 WeakPolarHBondContact O-CE2 3.28Å; L261-F263 PolarHBondContact O-N 2.85Å; F263-F265 VanDerWaalsContact C-N 3.32Å; F263-F265 PolarHBondContact O-N 2.88Å; F263-Y266 PolarHBondContact O-N 3.32Å; F263-H267 PolarHBondContact O-CD2 2.94Å; F263-H267 VanDerWaalsContact O-CD2 3.32Å; F263-H267 PolarHBondContact O-N 3.41Å |
| 264 | H | 67.8 | Low | 71.4 | Confident | 129 Ų | 129 | 83.1 Ų | 83.1 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.4 | -44.2 | 175.8 | -59.5 | -70.4 | 0 | 0 | 0 | 112.7 | Q262 R268 | Q262-H264 PolarHBondContact O-N 3.21Å; Q262-H264 VanDerWaalsContact O-N 3.08Å; H264-R268 WeakPolarHBondContact O-CB 3.27Å; H264-R268 PolarHBondContact O-N 2.92Å; H264-R268 VanDerWaalsContact O-N 3.14Å |
| 265 | F | 73 | Confident | 72.9 | Confident | 96 Ų | 96 | 81.8 Ų | 81.8 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -50.9 | 178.9 | 179.9 | -91.9 | 0 | 0 | 0 | 110.3 | Q262 F263 H267 R268 W269 | Q262-F265 HydrophobicContact CB-CB 4.04Å; Q262-F265 WeakPolarHBondContact O-CB 3.48Å; Q262-F265 PolarHBondContact O-N 3.33Å; F263-F265 VanDerWaalsContact C-N 3.32Å; F263-F265 PolarHBondContact O-N 2.88Å; F265-H267 PolarHBondContact O-N 3.3Å; F265-R268 PolarHBondContact O-N 3Å; F265-W269 AromaticContact CD1-CD1 3.68Å; F265-W269 HydrophobicContact CD1-CG 4.5Å; F265-W269 AromaticContact CD2-CD1 3.67Å; F265-W269 AromaticContact CD2-NE1 3.65Å; F265-W269 AromaticContact CE1-CD1 3.44Å; F265-W269 VanDerWaalsContact CE1-CD1 3.44Å; F265-W269 HydrophobicContact CE1-CG 4.13Å; F265-W269 AromaticContact CE1-NE1 3.64Å; F265-W269 AromaticContact CE2-CD1 3.45Å; F265-W269 VanDerWaalsContact CE2-CD1 3.45Å; F265-W269 AromaticContact CE2-NE1 3Å; F265-W269 AromaticContact CG-CD1 3.79Å; F265-W269 AromaticContact CZ-CD1 3.33Å; F265-W269 HydrophobicContact CZ-CD2 4.46Å; F265-W269 AromaticContact CZ-CE2 3.76Å; F265-W269 HydrophobicContact CZ-CG 4.22Å; F265-W269 HydrophobicContact CZ-CZ2 4.42Å; F265-W269 AromaticContact CZ-NE1 2.99Å; F265-W269 WeakPolarHBondContact O-CB 3.39Å; F265-W269 VanDerWaalsContact O-CD1 3.25Å; F265-W269 PolarHBondContact O-N 2.99Å |
| 266 | Y | 72.5 | Confident | 74.1 | Confident | 135 Ų | 135 | 84.8 Ų | 84.8 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | -177.1 | -69 | -75.3 | 0 | 0 | 0 | 113.1 | L261 Q262 F263 F270 | L261-Y266 HydrophobicContact CB-CE2 4.47Å; L261-Y266 HydrophobicContact CD2-CD2 4.42Å; L261-Y266 HydrophobicContact CD2-CE2 3.52Å; Q262-Y266 VanDerWaalsContact O-CD2 3.28Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.36Å; Q262-Y266 PolarHBondContact O-N 3.04Å; F263-Y266 PolarHBondContact O-N 3.32Å; Y266-F270 VanDerWaalsContact O-CB 3.23Å; Y266-F270 WeakPolarHBondContact O-CB 3.13Å; Y266-F270 PolarHBondContact O-N 3.03Å |
| 267 | H | 70.6 | Confident | 74.9 | Confident | 77 Ų | 77 | 77 Ų | 77 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 175.2 | -89.2 | -67.2 | 0 | 0 | 0 | 113.1 | M244 F263 F265 W269 F270 D271 | M244-H267 VanDerWaalsContact CE-CE1 3.45Å; M244-H267 WeakPolarHBondContact CE-CE1 3.34Å; M244-H267 WeakPolarHBondContact CE-NE2 3.4Å; M244-H267 VanDerWaalsContact SD-CE1 3.51Å; M244-H267 PolarHBondContact SD-NE2 3.25Å; F263-H267 PolarHBondContact O-CD2 2.94Å; F263-H267 VanDerWaalsContact O-CD2 3.32Å; F263-H267 PolarHBondContact O-N 3.41Å; F265-H267 PolarHBondContact O-N 3.3Å; H267-W269 VanDerWaalsContact C-N 3.27Å; H267-W269 PolarHBondContact O-N 2.64Å; H267-F270 WeakPolarHBondContact O-CB 3.49Å; H267-F270 PolarHBondContact O-N 2.95Å; H267-F270 VanDerWaalsContact O-N 3.15Å; H267-D271 PolarHBondContact O-N 2.86Å |
| 268 | R | 76.5 | Confident | 75.7 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 43% | 0.426 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 178.4 | -167.7 | 179.8 | 86.3 | 153.9 | 4.8 | 110.3 | F157 H264 F265 F270 D271 V272 | F157-R268 HydrophobicContact CE1-CB 4.28Å; F157-R268 HydrophobicContact CE1-CG 4.22Å; F157-R268 HydrophobicContact CZ-CG 4.23Å; H264-R268 WeakPolarHBondContact O-CB 3.27Å; H264-R268 PolarHBondContact O-N 2.92Å; H264-R268 VanDerWaalsContact O-N 3.14Å; F265-R268 PolarHBondContact O-N 3Å; R268-F270 VanDerWaalsContact C-N 3.35Å; R268-D271 PolarHBondContact O-N 3.18Å; R268-V272 WeakPolarHBondContact O-CB 3.21Å; R268-V272 WeakPolarHBondContact O-CG2 3.47Å; R268-V272 PolarHBondContact O-N 3.41Å |
| 269 | W | 81.6 | Confident | 77 | Confident | 119 Ų | 119 | 73.4 Ų | 73.4 | 45% | 0.451 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 176.1 | -86.2 | 93.9 | 0 | 0 | 0 | 113 | F265 H267 V272 I273 | F265-W269 AromaticContact CD1-CD1 3.68Å; F265-W269 HydrophobicContact CD1-CG 4.5Å; F265-W269 AromaticContact CD2-CD1 3.67Å; F265-W269 AromaticContact CD2-NE1 3.65Å; F265-W269 AromaticContact CE1-CD1 3.44Å; F265-W269 VanDerWaalsContact CE1-CD1 3.44Å; F265-W269 HydrophobicContact CE1-CG 4.13Å; F265-W269 AromaticContact CE1-NE1 3.64Å; F265-W269 AromaticContact CE2-CD1 3.45Å; F265-W269 VanDerWaalsContact CE2-CD1 3.45Å; F265-W269 AromaticContact CE2-NE1 3Å; F265-W269 AromaticContact CG-CD1 3.79Å; F265-W269 AromaticContact CZ-CD1 3.33Å; F265-W269 HydrophobicContact CZ-CD2 4.46Å; F265-W269 AromaticContact CZ-CE2 3.76Å; F265-W269 HydrophobicContact CZ-CG 4.22Å; F265-W269 HydrophobicContact CZ-CZ2 4.42Å; F265-W269 AromaticContact CZ-NE1 2.99Å; F265-W269 WeakPolarHBondContact O-CB 3.39Å; F265-W269 VanDerWaalsContact O-CD1 3.25Å; F265-W269 PolarHBondContact O-N 2.99Å; H267-W269 VanDerWaalsContact C-N 3.27Å; H267-W269 PolarHBondContact O-N 2.64Å; W269-V272 PolarHBondContact O-N 2.82Å; W269-I273 HydrophobicContact CE3-CD1 4.18Å; W269-I273 HydrophobicContact CE3-CG1 4.36Å; W269-I273 WeakPolarHBondContact O-CB 3.47Å; W269-I273 WeakPolarHBondContact O-CD1 3.42Å; W269-I273 WeakPolarHBondContact O-CG1 3.3Å; W269-I273 PolarHBondContact O-N 3.4Å |
| 270 | F | 81.7 | Confident | 78.1 | Confident | 46 Ų | 46 | 75.4 Ų | 75.4 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -50 | 173.5 | -177.4 | -81 | 0 | 0 | 0 | 111 | M1 A2 Y266 H267 R268 V272 I273 F274 | M1-F270 HydrophobicContact CB-CE2 4.05Å; A2-F270 HydrophobicContact CB-CD1 4.48Å; A2-F270 HydrophobicContact CB-CD2 3.66Å; A2-F270 HydrophobicContact CB-CE2 3.74Å; A2-F270 HydrophobicContact CB-CG 4.04Å; A2-F270 HydrophobicContact CB-CZ 4.18Å; Y266-F270 VanDerWaalsContact O-CB 3.23Å; Y266-F270 WeakPolarHBondContact O-CB 3.13Å; Y266-F270 PolarHBondContact O-N 3.03Å; H267-F270 WeakPolarHBondContact O-CB 3.49Å; H267-F270 PolarHBondContact O-N 2.95Å; H267-F270 VanDerWaalsContact O-N 3.15Å; R268-F270 VanDerWaalsContact C-N 3.35Å; F270-V272 VanDerWaalsContact C-N 3.35Å; F270-V272 PolarHBondContact O-N 3.47Å; F270-I273 PolarHBondContact O-N 3.27Å; F270-F274 HydrophobicContact CE1-CB 4.4Å; F270-F274 WeakPolarHBondContact O-CB 3.38Å; F270-F274 PolarHBondContact O-N 3.44Å |
| 271 | D | 81.3 | Confident | 79.2 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | -179.6 | -75.2 | -4 | 0 | 0 | 0 | 111.3 | N151 I152 H267 R268 F274 L275 | N151-D271 PolarHBondContact ND2-OD2 2.97Å; I152-D271 HydrophobicContact CD1-CB 4.27Å; I152-D271 HydrophobicContact CG1-CB 4.23Å; H267-D271 PolarHBondContact O-N 2.86Å; R268-D271 PolarHBondContact O-N 3.18Å; D271-F274 PolarHBondContact O-N 3.4Å; D271-L275 WeakPolarHBondContact O-CB 3.16Å; D271-L275 PolarHBondContact O-N 3.03Å |
| 272 | V | 84.9 | Confident | 80.3 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -50.5 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | I152 R268 W269 F270 F274 L275 I276 | I152-V272 HydrophobicContact CD1-CG2 3.9Å; I152-V272 HydrophobicContact CG1-CG2 4.05Å; R268-V272 WeakPolarHBondContact O-CB 3.21Å; R268-V272 WeakPolarHBondContact O-CG2 3.47Å; R268-V272 PolarHBondContact O-N 3.41Å; W269-V272 PolarHBondContact O-N 2.82Å; F270-V272 VanDerWaalsContact C-N 3.35Å; F270-V272 PolarHBondContact O-N 3.47Å; V272-F274 VanDerWaalsContact C-N 3.31Å; V272-F274 PolarHBondContact O-N 2.83Å; V272-L275 PolarHBondContact O-N 3.45Å; V272-I276 HydrophobicContact CG1-CD1 3.83Å; V272-I276 WeakPolarHBondContact O-CG1 3.38Å; V272-I276 PolarHBondContact O-N 3.24Å |
| 273 | I | 86 | Confident | 81.3 | Confident | 71 Ų | 71 | 66 Ų | 66 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 179.3 | -65.8 | 166 | 0 | 0 | 0 | 110.3 | A2 F3 W269 F270 S277 | A2-I273 HydrophobicContact CB-CB 3.87Å; A2-I273 HydrophobicContact CB-CG2 3.68Å; F3-I273 HydrophobicContact CB-CG2 4.44Å; W269-I273 HydrophobicContact CE3-CD1 4.18Å; W269-I273 HydrophobicContact CE3-CG1 4.36Å; W269-I273 WeakPolarHBondContact O-CB 3.47Å; W269-I273 WeakPolarHBondContact O-CD1 3.42Å; W269-I273 WeakPolarHBondContact O-CG1 3.3Å; W269-I273 PolarHBondContact O-N 3.4Å; F270-I273 PolarHBondContact O-N 3.27Å; I273-S277 WeakPolarHBondContact O-CB 3.35Å; I273-S277 PolarHBondContact O-N 2.84Å; I273-S277 PolarHBondContact O-OG 3.44Å; I273-S277 VanDerWaalsContact O-OG 3.11Å |
| 274 | F | 85.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 174.9 | 171.8 | -95.5 | 0 | 0 | 0 | 110.6 | A2 G6 A9 K144 I145 F270 D271 V272 S277 A278 | A2-F274 HydrophobicContact CB-CB 4.38Å; G6-F274 VanDerWaalsContact CA-CD2 3.48Å; G6-F274 VanDerWaalsContact CA-CE2 3.44Å; A9-F274 HydrophobicContact CB-CE2 4.08Å; A9-F274 HydrophobicContact CB-CZ 4.02Å; K144-F274 HydrophobicContact CD-CE1 4.48Å; K144-F274 HydrophobicContact CD-CE2 4.23Å; K144-F274 HydrophobicContact CD-CZ 3.83Å; K144-F274 HydrophobicContact CG-CE1 4.19Å; K144-F274 HydrophobicContact CG-CZ 3.98Å; I145-F274 HydrophobicContact CG1-CE1 4.04Å; I145-F274 HydrophobicContact CG1-CZ 4.31Å; F270-F274 HydrophobicContact CE1-CB 4.4Å; F270-F274 WeakPolarHBondContact O-CB 3.38Å; F270-F274 PolarHBondContact O-N 3.44Å; D271-F274 PolarHBondContact O-N 3.4Å; V272-F274 VanDerWaalsContact C-N 3.31Å; V272-F274 PolarHBondContact O-N 2.83Å; F274-S277 PolarHBondContact O-N 3.39Å; F274-S277 PolarHBondContact O-OG 3.28Å; F274-A278 WeakPolarHBondContact O-CB 3.07Å; F274-A278 PolarHBondContact O-N 2.9Å |
| 275 | L | 87.4 | Confident | 83.1 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -47.9 | -179.6 | -173.6 | 67.6 | 0 | 0 | 0 | 112 | I145 I149 I152 D271 V272 S277 A278 M279 | I145-L275 HydrophobicContact CG2-CD1 4.08Å; I149-L275 HydrophobicContact CD1-CD1 4.11Å; I149-L275 HydrophobicContact CG1-CD1 3.65Å; I149-L275 HydrophobicContact CG1-CD2 4.02Å; I152-L275 HydrophobicContact CD1-CB 4.34Å; I152-L275 HydrophobicContact CD1-CD2 3.87Å; D271-L275 WeakPolarHBondContact O-CB 3.16Å; D271-L275 PolarHBondContact O-N 3.03Å; V272-L275 PolarHBondContact O-N 3.45Å; L275-S277 VanDerWaalsContact C-N 3.31Å; L275-S277 PolarHBondContact O-N 3.34Å; L275-A278 PolarHBondContact O-N 3.22Å; L275-M279 WeakPolarHBondContact O-CG 3.23Å; L275-M279 PolarHBondContact O-N 3.41Å |
| 276 | I | 89.9 | Confident | 83.6 | Confident | 102 Ų | 102 | 67.9 Ų | 67.9 | 52% | 0.523 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 177.2 | -67.5 | 168 | 0 | 0 | 0 | 109.9 | V272 A278 M279 C280 | V272-I276 HydrophobicContact CG1-CD1 3.83Å; V272-I276 WeakPolarHBondContact O-CG1 3.38Å; V272-I276 PolarHBondContact O-N 3.24Å; I276-A278 VanDerWaalsContact C-N 3.34Å; I276-A278 PolarHBondContact O-N 2.82Å; I276-M279 PolarHBondContact O-N 3.25Å; I276-C280 WeakPolarHBondContact O-CB 3.37Å; I276-C280 PolarHBondContact O-N 2.96Å; I276-C280 PolarHBondContact O-SG 3.22Å; I276-C280 VanDerWaalsContact O-SG 3.33Å |
| 277 | S | 86.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -35.5 | 179.2 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | F3 G6 I273 F274 L275 S281 | F3-S277 VanDerWaalsContact CD2-CB 3.49Å; F3-S277 PolarHBondContact O-OG 2.96Å; G6-S277 WeakPolarHBondContact CA-OG 3.21Å; I273-S277 WeakPolarHBondContact O-CB 3.35Å; I273-S277 PolarHBondContact O-N 2.84Å; I273-S277 PolarHBondContact O-OG 3.44Å; I273-S277 VanDerWaalsContact O-OG 3.11Å; F274-S277 PolarHBondContact O-N 3.39Å; F274-S277 PolarHBondContact O-OG 3.28Å; L275-S277 VanDerWaalsContact C-N 3.31Å; L275-S277 PolarHBondContact O-N 3.34Å; S277-S281 VanDerWaalsContact O-CB 3.3Å; S277-S281 WeakPolarHBondContact O-CB 3.32Å; S277-S281 PolarHBondContact O-N 2.84Å; S277-S281 PolarHBondContact O-OG 3.11Å |
| 278 | A | 82.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V10 I145 F274 L275 I276 S281 I282 | V10-A278 HydrophobicContact CG2-CB 3.97Å; I145-A278 HydrophobicContact CD1-CB 4.36Å; F274-A278 WeakPolarHBondContact O-CB 3.07Å; F274-A278 PolarHBondContact O-N 2.9Å; L275-A278 PolarHBondContact O-N 3.22Å; I276-A278 VanDerWaalsContact C-N 3.34Å; I276-A278 PolarHBondContact O-N 2.82Å; A278-S281 WeakPolarHBondContact O-CB 3.22Å; A278-S281 PolarHBondContact O-N 3.34Å; A278-I282 VanDerWaalsContact O-CG1 3.29Å; A278-I282 WeakPolarHBondContact O-CG1 3.28Å; A278-I282 PolarHBondContact O-N 3.46Å |
| 279 | M | 89.6 | Confident | 85 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 177.5 | -69.5 | -161.8 | 79 | 0 | 0 | 112.4 | L275 I276 S281 I282 A283 | L275-M279 WeakPolarHBondContact O-CG 3.23Å; L275-M279 PolarHBondContact O-N 3.41Å; I276-M279 PolarHBondContact O-N 3.25Å; M279-S281 VanDerWaalsContact C-N 3.29Å; M279-S281 PolarHBondContact O-N 2.91Å; M279-I282 PolarHBondContact O-N 3.4Å; M279-A283 WeakPolarHBondContact O-CB 3.43Å; M279-A283 PolarHBondContact O-N 3.15Å |
| 280 | C | 88.4 | Confident | 85.2 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 52% | 0.52 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 174.1 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | I276 A283 F284 | I276-C280 WeakPolarHBondContact O-CB 3.37Å; I276-C280 PolarHBondContact O-N 2.96Å; I276-C280 PolarHBondContact O-SG 3.22Å; I276-C280 VanDerWaalsContact O-SG 3.33Å; C280-A283 PolarHBondContact O-N 2.97Å; C280-F284 WeakPolarHBondContact O-CB 3.49Å; C280-F284 PolarHBondContact O-N 2.65Å |
| 281 | S | 83.6 | Confident | 85.1 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | F7 S277 A278 M279 F284 L285 | F7-S281 WeakPolarHBondContact CA-OG 3.47Å; F7-S281 WeakPolarHBondContact CD2-OG 3.41Å; S277-S281 VanDerWaalsContact O-CB 3.3Å; S277-S281 WeakPolarHBondContact O-CB 3.32Å; S277-S281 PolarHBondContact O-N 2.84Å; S277-S281 PolarHBondContact O-OG 3.11Å; A278-S281 WeakPolarHBondContact O-CB 3.22Å; A278-S281 PolarHBondContact O-N 3.34Å; M279-S281 VanDerWaalsContact C-N 3.29Å; M279-S281 PolarHBondContact O-N 2.91Å; S281-F284 PolarHBondContact O-N 2.96Å; S281-L285 WeakPolarHBondContact O-CB 3.38Å; S281-L285 VanDerWaalsContact O-CG 3.3Å; S281-L285 WeakPolarHBondContact O-CG 3.28Å; S281-L285 PolarHBondContact O-N 3.4Å |
| 282 | I | 86.5 | Confident | 84.8 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.6 | -68.9 | 164 | 0 | 0 | 0 | 110.1 | V10 A278 M279 F284 L285 Y286 | V10-I282 HydrophobicContact CB-CG1 4.4Å; V10-I282 HydrophobicContact CG1-CG1 3.61Å; V10-I282 HydrophobicContact CG2-CD1 4.22Å; V10-I282 HydrophobicContact CG2-CG1 3.82Å; A278-I282 VanDerWaalsContact O-CG1 3.29Å; A278-I282 WeakPolarHBondContact O-CG1 3.28Å; A278-I282 PolarHBondContact O-N 3.46Å; M279-I282 PolarHBondContact O-N 3.4Å; I282-F284 PolarHBondContact O-N 3.41Å; I282-L285 PolarHBondContact O-N 3.11Å; I282-Y286 VanDerWaalsContact O-CB 3.29Å; I282-Y286 WeakPolarHBondContact O-CB 3.17Å; I282-Y286 PolarHBondContact O-N 3.44Å |
| 283 | A | 87.8 | Confident | 84.3 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | M279 C280 Y286 L287 | M279-A283 WeakPolarHBondContact O-CB 3.43Å; M279-A283 PolarHBondContact O-N 3.15Å; C280-A283 PolarHBondContact O-N 2.97Å; A283-Y286 PolarHBondContact O-N 3.33Å; A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 3.27Å |
| 284 | F | 86.2 | Confident | 83.9 | Confident | 141 Ų | 141 | 69.2 Ų | 69.2 | 62% | 0.618 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 176.7 | 179.3 | -96.5 | 0 | 0 | 0 | 111.9 | C280 S281 I282 L287 A288 | C280-F284 WeakPolarHBondContact O-CB 3.49Å; C280-F284 PolarHBondContact O-N 2.65Å; S281-F284 PolarHBondContact O-N 2.96Å; I282-F284 PolarHBondContact O-N 3.41Å; F284-L287 PolarHBondContact O-N 2.89Å; F284-A288 WeakPolarHBondContact O-CB 3.06Å; F284-A288 PolarHBondContact O-N 3.42Å |
| 285 | L | 82.9 | Confident | 83.1 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 178.2 | -68.9 | 176.6 | 0 | 0 | 0 | 112.2 | V10 Y14 S281 I282 A288 H289 | V10-L285 HydrophobicContact CG1-CD1 3.6Å; Y14-L285 HydrophobicContact CD1-CD1 4.35Å; Y14-L285 HydrophobicContact CD1-CD2 4Å; Y14-L285 HydrophobicContact CD2-CB 4.27Å; Y14-L285 HydrophobicContact CD2-CD1 3.73Å; Y14-L285 HydrophobicContact CD2-CD2 4.12Å; Y14-L285 HydrophobicContact CD2-CG 4.27Å; Y14-L285 HydrophobicContact CE1-CD2 3.8Å; Y14-L285 HydrophobicContact CE2-CB 4.01Å; Y14-L285 HydrophobicContact CE2-CD1 4.19Å; Y14-L285 HydrophobicContact CE2-CD2 3.82Å; Y14-L285 HydrophobicContact CE2-CG 4.23Å; Y14-L285 HydrophobicContact CG-CD1 3.76Å; Y14-L285 HydrophobicContact CG-CD2 4.15Å; S281-L285 WeakPolarHBondContact O-CB 3.38Å; S281-L285 VanDerWaalsContact O-CG 3.3Å; S281-L285 WeakPolarHBondContact O-CG 3.28Å; S281-L285 PolarHBondContact O-N 3.4Å; I282-L285 PolarHBondContact O-N 3.11Å; L285-A288 PolarHBondContact O-N 2.91Å; L285-H289 WeakPolarHBondContact O-CB 3.25Å; L285-H289 PolarHBondContact O-N 2.78Å |
| 286 | Y | 85.2 | Confident | 82.2 | Confident | 160 Ų | 160 | 74.4 Ų | 74.4 | 63% | 0.627 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 174 | 178.5 | -99.2 | 0 | 0 | 0 | 111.4 | I282 A283 H289 K290 | I282-Y286 VanDerWaalsContact O-CB 3.29Å; I282-Y286 WeakPolarHBondContact O-CB 3.17Å; I282-Y286 PolarHBondContact O-N 3.44Å; A283-Y286 PolarHBondContact O-N 3.33Å; Y286-H289 PolarHBondContact O-N 3.14Å; Y286-K290 WeakPolarHBondContact O-CB 3.46Å; Y286-K290 PolarHBondContact O-N 2.99Å |
| 287 | L | 86.3 | Confident | 81.3 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 53% | 0.534 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 175.1 | -70.7 | 173 | 0 | 0 | 0 | 112.1 | A283 F284 K290 R291 | A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 3.27Å; F284-L287 PolarHBondContact O-N 2.89Å; L287-K290 PolarHBondContact O-N 2.81Å; L287-R291 WeakPolarHBondContact O-CG 3.29Å; L287-R291 PolarHBondContact O-N 2.68Å |
| 288 | A | 81.6 | Confident | 80.3 | Confident | 31 Ų | 31 | 80.1 Ų | 80.1 | 26% | 0.256 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F284 L285 R291 V292 | F284-A288 WeakPolarHBondContact O-CB 3.06Å; F284-A288 PolarHBondContact O-N 3.42Å; L285-A288 PolarHBondContact O-N 2.91Å; A288-R291 PolarHBondContact O-N 3.4Å; A288-V292 WeakPolarHBondContact O-CG2 3.38Å; A288-V292 PolarHBondContact O-N 2.89Å; A288-V292 VanDerWaalsContact O-N 3.09Å |
| 289 | H | 81.2 | Confident | 79.2 | Confident | 65 Ų | 65 | 83.4 Ų | 83.4 | 30% | 0.301 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.9 | -96.2 | 41.6 | 0 | 0 | 0 | 112.2 | Y14 F20 L285 Y286 R291 V292 A293 | Y14-H289 AromaticContact CD2-CE1 4Å; Y14-H289 AromaticContact CE2-CE1 2.91Å; Y14-H289 WeakPolarHBondContact CE2-CE1 3.29Å; Y14-H289 AromaticContact CE2-ND1 3.2Å; Y14-H289 WeakPolarHBondContact CE2-ND1 3.38Å; Y14-H289 AromaticContact CE2-NE2 3.74Å; Y14-H289 AromaticContact CZ-CE1 3.13Å; Y14-H289 AromaticContact CZ-ND1 3.4Å; Y14-H289 PolarHBondContact OH-CE1 2.94Å; Y14-H289 PolarHBondContact OH-ND1 3.16Å; F20-H289 AromaticContact CD1-NE2 3.91Å; L285-H289 WeakPolarHBondContact O-CB 3.25Å; L285-H289 PolarHBondContact O-N 2.78Å; Y286-H289 PolarHBondContact O-N 3.14Å; H289-R291 VanDerWaalsContact C-N 3.34Å; H289-R291 PolarHBondContact O-N 2.9Å; H289-V292 PolarHBondContact O-N 3.31Å; H289-A293 PolarHBondContact O-N 3.13Å |
| 290 | K | 83.9 | Confident | 77.6 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 46% | 0.461 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 178.2 | -167.7 | -172.3 | -179.2 | -149.2 | 0 | 111.3 | Y286 L287 V292 A293 E294 | Y286-K290 WeakPolarHBondContact O-CB 3.46Å; Y286-K290 PolarHBondContact O-N 2.99Å; L287-K290 PolarHBondContact O-N 2.81Å; K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 3.37Å; K290-A293 PolarHBondContact O-N 3.13Å; K290-E294 WeakPolarHBondContact CE-OE1 3.27Å; K290-E294 IonicContact NZ-OE1 3.22Å; K290-E294 PolarHBondContact NZ-OE1 3.11Å; K290-E294 WeakPolarHBondContact O-CG 3.49Å; K290-E294 PolarHBondContact O-N 3.03Å |
| 291 | R | 80.1 | Confident | 75.7 | Confident | 178 Ų | 178 | 86.5 Ų | 86.5 | 67% | 0.672 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | 175.5 | -73.1 | -172.4 | -175.9 | -147.1 | 1.9 | 112.5 | L287 A288 H289 A293 I295 | L287-R291 WeakPolarHBondContact O-CG 3.29Å; L287-R291 PolarHBondContact O-N 2.68Å; A288-R291 PolarHBondContact O-N 3.4Å; H289-R291 VanDerWaalsContact C-N 3.34Å; H289-R291 PolarHBondContact O-N 2.9Å; R291-A293 VanDerWaalsContact C-N 3.35Å; R291-I295 WeakPolarHBondContact O-CD1 3.38Å; R291-I295 WeakPolarHBondContact O-CG1 3.4Å; R291-I295 PolarHBondContact O-N 3.37Å |
| 292 | V | 74.5 | Confident | 75.3 | Confident | 36 Ų | 36 | 90.4 Ų | 90.4 | 22% | 0.218 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L22 Y111 A288 H289 K290 K296 | L22-V292 HydrophobicContact CD1-CG1 3.88Å; L22-V292 HydrophobicContact CD2-CG1 3.98Å; Y111-V292 HydrophobicContact CE1-CG1 4.33Å; A288-V292 WeakPolarHBondContact O-CG2 3.38Å; A288-V292 PolarHBondContact O-N 2.89Å; A288-V292 VanDerWaalsContact O-N 3.09Å; H289-V292 PolarHBondContact O-N 3.31Å; K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 3.37Å; V292-K296 PolarHBondContact O-N 2.92Å |
| 293 | A | 74.8 | Confident | 74.7 | Confident | 49 Ų | 49 | 90.6 Ų | 90.6 | 41% | 0.405 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H289 K290 R291 I295 K296 D297 | H289-A293 PolarHBondContact O-N 3.13Å; K290-A293 PolarHBondContact O-N 3.13Å; R291-A293 VanDerWaalsContact C-N 3.35Å; A293-I295 VanDerWaalsContact C-N 3.33Å; A293-I295 PolarHBondContact O-N 2.86Å; A293-K296 WeakPolarHBondContact O-CB 3.3Å; A293-K296 PolarHBondContact O-N 2.86Å; A293-D297 PolarHBondContact O-N 3.18Å |
| 294 | E | 77.1 | Confident | 74 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 41% | 0.411 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 174.6 | -72.9 | 167.9 | 178.6 | 0 | 0 | 111 | K290 K296 D297 D298 | K290-E294 WeakPolarHBondContact CE-OE1 3.27Å; K290-E294 IonicContact NZ-OE1 3.22Å; K290-E294 PolarHBondContact NZ-OE1 3.11Å; K290-E294 WeakPolarHBondContact O-CG 3.49Å; K290-E294 PolarHBondContact O-N 3.03Å; E294-K296 VanDerWaalsContact C-N 3.3Å; E294-K296 PolarHBondContact O-N 2.94Å; E294-D297 PolarHBondContact O-N 3.37Å; E294-D298 PolarHBondContact O-N 2.76Å |
| 295 | I | 69.9 | Low | 73.2 | Confident | 87 Ų | 87 | 90.1 Ų | 90.1 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 174.6 | -69.3 | 165.4 | 0 | 0 | 0 | 110 | R291 A293 D297 D298 Y299 | R291-I295 WeakPolarHBondContact O-CD1 3.38Å; R291-I295 WeakPolarHBondContact O-CG1 3.4Å; R291-I295 PolarHBondContact O-N 3.37Å; A293-I295 VanDerWaalsContact C-N 3.33Å; A293-I295 PolarHBondContact O-N 2.86Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.04Å; I295-D298 PolarHBondContact O-N 3.46Å; I295-Y299 HydrophobicContact CG2-CD2 4.31Å; I295-Y299 HydrophobicContact CG2-CE2 3.66Å; I295-Y299 WeakPolarHBondContact O-CD2 3.13Å; I295-Y299 WeakPolarHBondContact O-CE2 3.33Å |
| 296 | K | 68.3 | Low | 72.6 | Confident | 55 Ų | 55 | 94.5 Ų | 94.5 | 24% | 0.239 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | -178.9 | -175.9 | 171.2 | -179.6 | 164 | 0 | 113 | L22 S23 E28 V292 A293 E294 D298 Y299 I300 | L22-K296 HydrophobicContact CD1-CD 4.39Å; S23-K296 PolarHBondContact O-NZ 2.88Å; S23-K296 PolarHBondContact OG-NZ 3.16Å; E28-K296 VanDerWaalsContact OE1-CE 3.3Å; E28-K296 WeakPolarHBondContact OE1-CE 3.23Å; E28-K296 IonicContact OE1-NZ 3.69Å; V292-K296 PolarHBondContact O-N 2.92Å; A293-K296 WeakPolarHBondContact O-CB 3.3Å; A293-K296 PolarHBondContact O-N 2.86Å; E294-K296 VanDerWaalsContact C-N 3.3Å; E294-K296 PolarHBondContact O-N 2.94Å; K296-D298 VanDerWaalsContact C-N 3.3Å; K296-D298 PolarHBondContact O-N 3.34Å; K296-Y299 PolarHBondContact O-N 3.25Å; K296-Y299 VanDerWaalsContact O-N 3.17Å; K296-I300 HydrophobicContact CG-CD1 4.23Å |
| 297 | D | 69.6 | Low | 71.8 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 57% | 0.572 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.8 | -35.3 | 179.9 | -69.6 | -21.6 | 0 | 0 | 0 | 111.8 | A293 E294 I295 Y299 I300 S301 | A293-D297 PolarHBondContact O-N 3.18Å; E294-D297 PolarHBondContact O-N 3.37Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.04Å; D297-Y299 PolarHBondContact O-N 2.87Å; D297-I300 PolarHBondContact O-N 2.87Å; D297-S301 PolarHBondContact O-N 3.19Å; D297-S301 PolarHBondContact O-OG 3.41Å |
| 298 | D | 67.3 | Low | 70.8 | Confident | 117 Ų | 117 | 89.3 Ų | 89.3 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.4 | -16.7 | 175.6 | -70.8 | -19 | 0 | 0 | 0 | 113.7 | E294 I295 K296 | E294-D298 PolarHBondContact O-N 2.76Å; I295-D298 PolarHBondContact O-N 3.46Å; K296-D298 VanDerWaalsContact C-N 3.3Å; K296-D298 PolarHBondContact O-N 3.34Å |
| 299 | Y | 59.4 | Low | 69.9 | Low | 69 Ų | 69 | 93.8 Ų | 93.8 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -90.7 | -19.2 | 176.7 | -73.6 | -109.6 | 0 | 0 | 0 | 112.9 | E108 I295 K296 D297 | E108-Y299 WeakPolarHBondContact OE1-CE1 3.48Å; E108-Y299 PolarHBondContact OE1-OH 3.48Å; E108-Y299 PolarHBondContact OE2-OH 2.98Å; I295-Y299 HydrophobicContact CG2-CD2 4.31Å; I295-Y299 HydrophobicContact CG2-CE2 3.66Å; I295-Y299 WeakPolarHBondContact O-CD2 3.13Å; I295-Y299 WeakPolarHBondContact O-CE2 3.33Å; K296-Y299 PolarHBondContact O-N 3.25Å; K296-Y299 VanDerWaalsContact O-N 3.17Å; D297-Y299 PolarHBondContact O-N 2.87Å |
| 300 | I | 55.5 | Low | 69 | Low | 120 Ų | 120 | 96.2 Ų | 96.2 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -94 | -21.6 | -176.6 | -61.4 | 173.4 | 0 | 0 | 0 | 110.9 | K296 D297 | K296-I300 HydrophobicContact CG-CD1 4.23Å; D297-I300 PolarHBondContact O-N 2.87Å |
| 301 | S | 47.5 | Very low | 67.6 | Low | 142 Ų | 142 | 95.3 Ų | 95.3 | 99% | 0.993 | 50% | 0.497 | S | S | * | . | trans | -80.6 | 0 | 167.9 | 56.1 | 0 | 0 | 0 | 0 | 113 | D297 | D297-S301 PolarHBondContact O-N 3.19Å; D297-S301 PolarHBondContact O-OG 3.41Å |
Retrieved 301 of 301 residues in 663.4 ms
(Link to these results)