| 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 | 51.3 | Low | 80.9 | Confident | 207 Ų | 207 | 94.1 Ų | 94.1 | 100% | 1.02 | 50% | 0.498 | S | S | * | . | 0 | -28.6 | 0 | -76.6 | -173.8 | -116.5 | 0 | 0 | 112.6 | T3 K4 | M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.16Å; M1-K4 PolarHBondContact O-N 3.47Å | |||
| 2 | E | 58.7 | Low | 82 | Confident | 180 Ų | 180 | 92.8 Ų | 92.8 | 84% | 0.841 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21 | 179.5 | -95.8 | 168 | 87.7 | 0 | 0 | 116.9 | P5 | E2-P5 VanDerWaalsContact O-CD 3.32Å; E2-P5 WeakPolarHBondContact O-CD 3.46Å; E2-P5 WeakPolarHBondContact O-CG 3.49Å |
| 3 | T | 71.4 | Confident | 82.9 | Confident | 67 Ų | 67 | 92.4 Ų | 92.4 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -83.2 | -19.5 | -177.8 | 42.5 | 0 | 0 | 0 | 0 | 114.4 | M1 V6 I7 | M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.16Å; T3-V6 PolarHBondContact O-N 3.39Å; T3-I7 WeakPolarHBondContact O-CD1 3.49Å; T3-I7 VanDerWaalsContact O-CG1 3.26Å; T3-I7 WeakPolarHBondContact O-CG1 3.3Å; T3-I7 PolarHBondContact O-N 2.94Å |
| 4 | K | 78.8 | Confident | 83.8 | Confident | 149 Ų | 149 | 85.8 Ų | 85.8 | 65% | 0.648 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.6 | -49.6 | 178.4 | -68.4 | -173 | 178.1 | -176.7 | 0 | 113.6 | M1 V6 I7 T8 | M1-K4 PolarHBondContact O-N 3.47Å; K4-V6 VanDerWaalsContact C-N 3.35Å; K4-V6 PolarHBondContact O-N 3.37Å; K4-I7 PolarHBondContact O-N 3.36Å; K4-T8 PolarHBondContact O-N 3.13Å; K4-T8 VanDerWaalsContact O-N 3.08Å; K4-T8 PolarHBondContact O-OG1 3.17Å; K4-T8 VanDerWaalsContact O-OG1 3.06Å |
| 5 | P | 86.2 | Confident | 84.5 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 179.3 | 23.4 | -34.4 | 0 | 0 | 0 | 113 | E2 T8 C9 | E2-P5 VanDerWaalsContact O-CD 3.32Å; E2-P5 WeakPolarHBondContact O-CD 3.46Å; E2-P5 WeakPolarHBondContact O-CG 3.49Å; P5-T8 PolarHBondContact O-N 3.1Å; P5-C9 WeakPolarHBondContact O-CB 3.17Å; P5-C9 PolarHBondContact O-N 3.26Å |
| 6 | V | 87.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 83.8 Ų | 83.8 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | T3 K4 T8 C9 L10 I235 | T3-V6 PolarHBondContact O-N 3.39Å; K4-V6 VanDerWaalsContact C-N 3.35Å; K4-V6 PolarHBondContact O-N 3.37Å; V6-T8 PolarHBondContact O-N 3.26Å; V6-C9 PolarHBondContact O-N 3.42Å; V6-L10 HydrophobicContact CG1-CD1 4.15Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.44Å; V6-I235 HydrophobicContact CG1-CD1 4.46Å |
| 7 | I | 87.9 | Confident | 85.8 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.7 | -66.2 | 162.7 | 0 | 0 | 0 | 110.8 | T3 K4 C9 L10 K11 L232 I235 N239 | T3-I7 WeakPolarHBondContact O-CD1 3.49Å; T3-I7 VanDerWaalsContact O-CG1 3.26Å; T3-I7 WeakPolarHBondContact O-CG1 3.3Å; T3-I7 PolarHBondContact O-N 2.94Å; K4-I7 PolarHBondContact O-N 3.36Å; I7-C9 VanDerWaalsContact C-N 3.35Å; I7-L10 PolarHBondContact O-N 3.18Å; I7-K11 HydrophobicContact CG2-CD 4.25Å; I7-K11 HydrophobicContact CG2-CG 4.45Å; I7-K11 WeakPolarHBondContact O-CB 3.31Å; I7-K11 WeakPolarHBondContact O-CG 3.41Å; I7-K11 PolarHBondContact O-N 3.22Å; I7-L232 HydrophobicContact CG2-CD1 4.1Å; I7-I235 HydrophobicContact CD1-CG2 3.79Å; I7-I235 HydrophobicContact CG1-CG2 3.52Å; I7-N239 VanDerWaalsContact CD1-ND2 3.31Å; I7-N239 WeakPolarHBondContact CD1-ND2 3.34Å |
| 8 | T | 89 | Confident | 86.3 | Confident | 88 Ų | 88 | 76 Ų | 76 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | K4 P5 V6 K11 T12 | K4-T8 PolarHBondContact O-N 3.13Å; K4-T8 VanDerWaalsContact O-N 3.08Å; K4-T8 PolarHBondContact O-OG1 3.17Å; K4-T8 VanDerWaalsContact O-OG1 3.06Å; P5-T8 PolarHBondContact O-N 3.1Å; V6-T8 PolarHBondContact O-N 3.26Å; T8-K11 PolarHBondContact O-N 3.12Å; T8-T12 WeakPolarHBondContact O-CB 3.46Å; T8-T12 PolarHBondContact O-N 3.44Å; T8-T12 PolarHBondContact O-OG1 3.22Å |
| 9 | C | 92.6 | Very high | 86.7 | Confident | 69 Ų | 69 | 77.8 Ų | 77.8 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.1 | -51.3 | 176.5 | -176 | 0 | 0 | 0 | 0 | 112 | P5 V6 I7 K11 T12 L13 | P5-C9 WeakPolarHBondContact O-CB 3.17Å; P5-C9 PolarHBondContact O-N 3.26Å; V6-C9 PolarHBondContact O-N 3.42Å; I7-C9 VanDerWaalsContact C-N 3.35Å; C9-K11 PolarHBondContact O-N 3.31Å; C9-T12 PolarHBondContact O-N 3.08Å; C9-L13 WeakPolarHBondContact O-CG 3.48Å; C9-L13 PolarHBondContact O-N 3.48Å |
| 10 | L | 92.8 | Very high | 87.1 | Confident | 27 Ų | 27 | 78 Ų | 78 | 14% | 0.141 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 179.4 | -70.3 | 173.7 | 0 | 0 | 0 | 112.6 | V6 I7 L13 L14 L228 L232 I235 | V6-L10 HydrophobicContact CG1-CD1 4.15Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 3.18Å; L10-L13 PolarHBondContact O-N 3.27Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 3.29Å; L10-L228 HydrophobicContact CD2-CD2 3.71Å; L10-L232 HydrophobicContact CB-CD1 4.16Å; L10-I235 HydrophobicContact CD1-CD1 3.51Å |
| 11 | K | 93 | Very high | 87.4 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 27% | 0.265 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 174.4 | -79.3 | -173.5 | 171 | -168.6 | 0 | 111.3 | I7 T8 C9 L13 L14 I15 T75 L232 | I7-K11 HydrophobicContact CG2-CD 4.25Å; I7-K11 HydrophobicContact CG2-CG 4.45Å; I7-K11 WeakPolarHBondContact O-CB 3.31Å; I7-K11 WeakPolarHBondContact O-CG 3.41Å; I7-K11 PolarHBondContact O-N 3.22Å; T8-K11 PolarHBondContact O-N 3.12Å; C9-K11 PolarHBondContact O-N 3.31Å; K11-L13 PolarHBondContact O-N 2.95Å; K11-L14 PolarHBondContact O-N 3.06Å; K11-I15 WeakPolarHBondContact O-CB 3.34Å; K11-I15 VanDerWaalsContact O-CG1 3.25Å; K11-I15 WeakPolarHBondContact O-CG1 3.29Å; K11-I15 PolarHBondContact O-N 3.42Å; K11-T75 HydrophobicContact CB-CG2 3.95Å; K11-T75 HydrophobicContact CG-CG2 3.9Å; K11-L232 HydrophobicContact CG-CD1 3.88Å; K11-L232 HydrophobicContact CG-CD2 3.75Å; K11-L232 HydrophobicContact CG-CG 4.48Å |
| 12 | T | 93.9 | Very high | 89.5 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 179.2 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | T8 C9 L14 I15 V16 | T8-T12 WeakPolarHBondContact O-CB 3.46Å; T8-T12 PolarHBondContact O-N 3.44Å; T8-T12 PolarHBondContact O-OG1 3.22Å; C9-T12 PolarHBondContact O-N 3.08Å; T12-L14 PolarHBondContact O-N 2.9Å; T12-I15 PolarHBondContact O-N 2.94Å; T12-V16 HydrophobicContact CG2-CG2 4.48Å; T12-V16 VanDerWaalsContact O-CG2 3.31Å; T12-V16 WeakPolarHBondContact O-CG2 3.49Å; T12-V16 PolarHBondContact O-N 3.26Å |
| 13 | L | 94.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.9 | -70.6 | 175.1 | 0 | 0 | 0 | 112.3 | C9 L10 K11 V16 Y17 L228 | C9-L13 WeakPolarHBondContact O-CG 3.48Å; C9-L13 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 3.27Å; K11-L13 PolarHBondContact O-N 2.95Å; L13-V16 PolarHBondContact O-N 3.47Å; L13-Y17 VanDerWaalsContact O-CB 3.3Å; L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 2.85Å; L13-L228 HydrophobicContact CB-CD1 4.19Å; L13-L228 HydrophobicContact CB-CD2 4.44Å; L13-L228 HydrophobicContact CD1-CD2 4.36Å |
| 14 | L | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.1 | -33 | -179.6 | -169.8 | 61.5 | 0 | 0 | 0 | 112.7 | L10 K11 T12 Y17 S18 T75 L83 Y86 L228 A229 L232 | L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 3.29Å; K11-L14 PolarHBondContact O-N 3.06Å; T12-L14 PolarHBondContact O-N 2.9Å; L14-Y17 HydrophobicContact CD1-CD1 4.27Å; L14-S18 WeakPolarHBondContact O-CB 3.26Å; L14-S18 PolarHBondContact O-N 3.2Å; L14-S18 PolarHBondContact O-OG 2.81Å; L14-T75 HydrophobicContact CB-CG2 4.2Å; L14-T75 HydrophobicContact CD2-CG2 4.23Å; L14-T75 VanDerWaalsContact CD2-OG1 3.32Å; L14-T75 WeakPolarHBondContact CD2-OG1 3.04Å; L14-T75 HydrophobicContact CG-CG2 4.46Å; L14-L83 HydrophobicContact CD2-CD2 3.74Å; L14-Y86 HydrophobicContact CD1-CE1 4.04Å; L14-L228 HydrophobicContact CD1-CB 3.95Å; L14-A229 HydrophobicContact CD1-CB 4.45Å; L14-A229 HydrophobicContact CD2-CB 4.12Å; L14-L232 HydrophobicContact CD2-CD2 4.04Å |
| 15 | I | 95.3 | Very high | 93.2 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 29% | 0.292 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 172 | -72.7 | 165.9 | 0 | 0 | 0 | 110.2 | K11 T12 Y17 S18 F19 T75 | K11-I15 WeakPolarHBondContact O-CB 3.34Å; K11-I15 VanDerWaalsContact O-CG1 3.25Å; K11-I15 WeakPolarHBondContact O-CG1 3.29Å; K11-I15 PolarHBondContact O-N 3.42Å; T12-I15 PolarHBondContact O-N 2.94Å; I15-Y17 VanDerWaalsContact C-N 3.32Å; I15-Y17 PolarHBondContact O-N 3.21Å; I15-S18 PolarHBondContact O-N 2.69Å; I15-F19 VanDerWaalsContact O-CB 3.31Å; I15-F19 WeakPolarHBondContact O-CB 3.49Å; I15-F19 PolarHBondContact O-N 2.85Å; I15-T75 HydrophobicContact CD1-CG2 4.07Å; I15-T75 HydrophobicContact CG1-CG2 3.7Å |
| 16 | V | 95.9 | Very high | 93.7 | Very high | 83 Ų | 83 | 55 Ų | 55 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 178 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | T12 L13 S18 F19 V20 | T12-V16 HydrophobicContact CG2-CG2 4.48Å; T12-V16 VanDerWaalsContact O-CG2 3.31Å; T12-V16 WeakPolarHBondContact O-CG2 3.49Å; T12-V16 PolarHBondContact O-N 3.26Å; L13-V16 PolarHBondContact O-N 3.47Å; V16-S18 PolarHBondContact O-N 3.34Å; V16-F19 PolarHBondContact O-N 3.32Å; V16-V20 WeakPolarHBondContact O-CG2 3.36Å; V16-V20 PolarHBondContact O-N 3.16Å |
| 17 | Y | 94.8 | Very high | 94.1 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 11% | 0.106 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53 | -56 | 173.7 | 174 | -91.8 | 0 | 0 | 0 | 111.4 | L13 L14 I15 F19 V20 F21 L90 S221 Q222 | L13-Y17 VanDerWaalsContact O-CB 3.3Å; L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 2.85Å; L14-Y17 HydrophobicContact CD1-CD1 4.27Å; I15-Y17 VanDerWaalsContact C-N 3.32Å; I15-Y17 PolarHBondContact O-N 3.21Å; Y17-F19 VanDerWaalsContact C-N 3.27Å; Y17-F19 PolarHBondContact O-N 3.49Å; Y17-V20 PolarHBondContact O-N 3.49Å; Y17-V20 VanDerWaalsContact O-N 3.17Å; Y17-F21 HydrophobicContact CD1-CD2 4.08Å; Y17-F21 HydrophobicContact CD1-CE2 4.21Å; Y17-F21 HydrophobicContact CD2-CD2 4.35Å; Y17-F21 AromaticContact CD2-CE2 3.83Å; Y17-F21 HydrophobicContact CD2-CE2 3.83Å; Y17-F21 AromaticContact CE1-CD2 3.75Å; Y17-F21 HydrophobicContact CE1-CD2 3.75Å; Y17-F21 AromaticContact CE1-CE2 3.66Å; Y17-F21 HydrophobicContact CE1-CE2 3.66Å; Y17-F21 HydrophobicContact CE2-CD2 4.08Å; Y17-F21 AromaticContact CE2-CE2 3.26Å; Y17-F21 HydrophobicContact CE2-CE2 3.26Å; Y17-F21 HydrophobicContact CE2-CZ 4.06Å; Y17-F21 HydrophobicContact CG-CD2 4.36Å; Y17-F21 HydrophobicContact CG-CE2 4.28Å; Y17-F21 AromaticContact CZ-CD2 3.74Å; Y17-F21 AromaticContact CZ-CE2 3.13Å; Y17-F21 AromaticContact CZ-CZ 3.85Å; Y17-F21 VanDerWaalsContact O-CD2 3.3Å; Y17-F21 WeakPolarHBondContact O-CD2 3.47Å; Y17-F21 PolarHBondContact O-N 3Å; Y17-F21 VanDerWaalsContact OH-CE2 3.32Å; Y17-F21 WeakPolarHBondContact OH-CE2 3.32Å; Y17-L90 HydrophobicContact CE1-CD1 4.31Å; Y17-S221 WeakPolarHBondContact CE2-O 3.37Å; Y17-S221 PolarHBondContact OH-O 3.05Å; Y17-Q222 WeakPolarHBondContact OH-CA 3.27Å |
| 18 | S | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.2 | -33.2 | -176.8 | -53.4 | 0 | 0 | 0 | 0 | 112.5 | L14 I15 V16 F21 W22 Y86 | L14-S18 WeakPolarHBondContact O-CB 3.26Å; L14-S18 PolarHBondContact O-N 3.2Å; L14-S18 PolarHBondContact O-OG 2.81Å; I15-S18 PolarHBondContact O-N 2.69Å; V16-S18 PolarHBondContact O-N 3.34Å; S18-F21 PolarHBondContact O-N 2.93Å; S18-W22 PolarHBondContact O-N 3.48Å; S18-Y86 PolarHBondContact OG-OH 2.92Å |
| 19 | F | 94.7 | Very high | 94.6 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 175.9 | -171.4 | -103.8 | 0 | 0 | 0 | 112.3 | I15 V16 Y17 F21 W22 I23 | I15-F19 VanDerWaalsContact O-CB 3.31Å; I15-F19 WeakPolarHBondContact O-CB 3.49Å; I15-F19 PolarHBondContact O-N 2.85Å; V16-F19 PolarHBondContact O-N 3.32Å; Y17-F19 VanDerWaalsContact C-N 3.27Å; Y17-F19 PolarHBondContact O-N 3.49Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 PolarHBondContact O-N 3.3Å; F19-W22 HydrophobicContact CD2-CE3 4.21Å; F19-W22 AromaticContact CE2-CE3 3.81Å; F19-W22 HydrophobicContact CE2-CE3 3.81Å; F19-W22 HydrophobicContact CE2-CZ3 4.04Å; F19-W22 HydrophobicContact CZ-CE3 4.35Å; F19-W22 HydrophobicContact CZ-CZ3 4.37Å; F19-W22 WeakPolarHBondContact O-CB 3.36Å; F19-W22 PolarHBondContact O-N 3.29Å; F19-I23 HydrophobicContact CD1-CG1 4.19Å; F19-I23 HydrophobicContact CE1-CD1 4.11Å; F19-I23 HydrophobicContact CE1-CG1 3.84Å; F19-I23 HydrophobicContact CZ-CD1 3.95Å; F19-I23 HydrophobicContact CZ-CG1 4.11Å; F19-I23 WeakPolarHBondContact O-CG1 3.26Å; F19-I23 PolarHBondContact O-N 2.99Å |
| 20 | V | 94.4 | Very high | 94.6 | Very high | 81 Ų | 81 | 55.6 Ų | 55.6 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.2 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | V16 Y17 W22 I23 T24 | V16-V20 WeakPolarHBondContact O-CG2 3.36Å; V16-V20 PolarHBondContact O-N 3.16Å; Y17-V20 PolarHBondContact O-N 3.49Å; Y17-V20 VanDerWaalsContact O-N 3.17Å; V20-W22 VanDerWaalsContact C-N 3.32Å; V20-W22 PolarHBondContact O-N 2.95Å; V20-I23 PolarHBondContact O-N 3.44Å; V20-T24 WeakPolarHBondContact O-CG2 3.25Å; V20-T24 PolarHBondContact O-N 2.91Å; V20-T24 PolarHBondContact O-OG1 3.37Å |
| 21 | F | 92.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 58 Ų | 58 | 21% | 0.211 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 174.7 | -80.9 | -81.9 | 0 | 0 | 0 | 112.3 | Y17 S18 F19 I23 T24 G25 I64 | Y17-F21 HydrophobicContact CD1-CD2 4.08Å; Y17-F21 HydrophobicContact CD1-CE2 4.21Å; Y17-F21 HydrophobicContact CD2-CD2 4.35Å; Y17-F21 AromaticContact CD2-CE2 3.83Å; Y17-F21 HydrophobicContact CD2-CE2 3.83Å; Y17-F21 AromaticContact CE1-CD2 3.75Å; Y17-F21 HydrophobicContact CE1-CD2 3.75Å; Y17-F21 AromaticContact CE1-CE2 3.66Å; Y17-F21 HydrophobicContact CE1-CE2 3.66Å; Y17-F21 HydrophobicContact CE2-CD2 4.08Å; Y17-F21 AromaticContact CE2-CE2 3.26Å; Y17-F21 HydrophobicContact CE2-CE2 3.26Å; Y17-F21 HydrophobicContact CE2-CZ 4.06Å; Y17-F21 HydrophobicContact CG-CD2 4.36Å; Y17-F21 HydrophobicContact CG-CE2 4.28Å; Y17-F21 AromaticContact CZ-CD2 3.74Å; Y17-F21 AromaticContact CZ-CE2 3.13Å; Y17-F21 AromaticContact CZ-CZ 3.85Å; Y17-F21 VanDerWaalsContact O-CD2 3.3Å; Y17-F21 WeakPolarHBondContact O-CD2 3.47Å; Y17-F21 PolarHBondContact O-N 3Å; Y17-F21 VanDerWaalsContact OH-CE2 3.32Å; Y17-F21 WeakPolarHBondContact OH-CE2 3.32Å; S18-F21 PolarHBondContact O-N 2.93Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 PolarHBondContact O-N 3.3Å; F21-I23 VanDerWaalsContact C-N 3.35Å; F21-I23 PolarHBondContact O-N 3.42Å; F21-T24 WeakPolarHBondContact CA-OG1 3.43Å; F21-T24 PolarHBondContact O-N 3.43Å; F21-T24 PolarHBondContact O-OG1 2.92Å; F21-G25 PolarHBondContact O-N 2.98Å; F21-I64 HydrophobicContact CB-CG2 4.38Å; F21-I64 WeakPolarHBondContact O-CG2 3.3Å |
| 22 | W | 95.6 | Very high | 94.2 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 30% | 0.295 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.7 | -178.6 | 78.4 | 0 | 0 | 0 | 112.3 | S18 F19 V20 G25 A26 | S18-W22 PolarHBondContact O-N 3.48Å; F19-W22 HydrophobicContact CD2-CE3 4.21Å; F19-W22 AromaticContact CE2-CE3 3.81Å; F19-W22 HydrophobicContact CE2-CE3 3.81Å; F19-W22 HydrophobicContact CE2-CZ3 4.04Å; F19-W22 HydrophobicContact CZ-CE3 4.35Å; F19-W22 HydrophobicContact CZ-CZ3 4.37Å; F19-W22 WeakPolarHBondContact O-CB 3.36Å; F19-W22 PolarHBondContact O-N 3.29Å; V20-W22 VanDerWaalsContact C-N 3.32Å; V20-W22 PolarHBondContact O-N 2.95Å; W22-G25 PolarHBondContact O-N 3.49Å; W22-A26 PolarHBondContact O-N 3.01Å |
| 23 | I | 96.3 | Very high | 93.9 | Very high | 65 Ų | 65 | 53.9 Ų | 53.9 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.6 | -65.5 | -68.7 | 0 | 0 | 0 | 111.2 | F19 V20 F21 G25 A26 I27 | F19-I23 HydrophobicContact CD1-CG1 4.19Å; F19-I23 HydrophobicContact CE1-CD1 4.11Å; F19-I23 HydrophobicContact CE1-CG1 3.84Å; F19-I23 HydrophobicContact CZ-CD1 3.95Å; F19-I23 HydrophobicContact CZ-CG1 4.11Å; F19-I23 WeakPolarHBondContact O-CG1 3.26Å; F19-I23 PolarHBondContact O-N 2.99Å; V20-I23 PolarHBondContact O-N 3.44Å; F21-I23 VanDerWaalsContact C-N 3.35Å; F21-I23 PolarHBondContact O-N 3.42Å; I23-G25 VanDerWaalsContact C-N 3.31Å; I23-G25 PolarHBondContact O-N 3.26Å; I23-A26 PolarHBondContact O-N 3.08Å; I23-I27 HydrophobicContact CG2-CD1 3.95Å; I23-I27 WeakPolarHBondContact O-CG1 3.4Å; I23-I27 PolarHBondContact O-N 3.07Å |
| 24 | T | 94.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 57.7 Ų | 57.7 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 178.4 | 58 | 0 | 0 | 0 | 0 | 111.6 | V20 F21 I27 L28 | V20-T24 WeakPolarHBondContact O-CG2 3.25Å; V20-T24 PolarHBondContact O-N 2.91Å; V20-T24 PolarHBondContact O-OG1 3.37Å; F21-T24 WeakPolarHBondContact CA-OG1 3.43Å; F21-T24 PolarHBondContact O-N 3.43Å; F21-T24 PolarHBondContact O-OG1 2.92Å; T24-I27 PolarHBondContact O-N 2.79Å; T24-L28 WeakPolarHBondContact O-CG 3.47Å; T24-L28 PolarHBondContact O-N 3.24Å |
| 25 | G | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F21 W22 I23 L28 L29 G61 | F21-G25 PolarHBondContact O-N 2.98Å; W22-G25 PolarHBondContact O-N 3.49Å; I23-G25 VanDerWaalsContact C-N 3.31Å; I23-G25 PolarHBondContact O-N 3.26Å; G25-L28 PolarHBondContact O-N 2.93Å; G25-L29 WeakPolarHBondContact O-CB 3.4Å; G25-L29 PolarHBondContact O-N 2.91Å; G25-G61 WeakPolarHBondContact O-CA 3.41Å |
| 26 | A | 96.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 60.4 Ų | 60.4 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W22 I23 A30 I65 | W22-A26 PolarHBondContact O-N 3.01Å; I23-A26 PolarHBondContact O-N 3.08Å; A26-A30 VanDerWaalsContact O-CB 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.32Å; A26-A30 PolarHBondContact O-N 2.91Å; A26-I65 HydrophobicContact CB-CD1 4.2Å; A26-I65 HydrophobicContact CB-CG1 4.45Å |
| 27 | I | 96.2 | Very high | 90.5 | Very high | 99 Ų | 99 | 61 Ų | 61 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 174.3 | -66.6 | 167.2 | 0 | 0 | 0 | 110.4 | I23 T24 L29 A30 V31 | I23-I27 HydrophobicContact CG2-CD1 3.95Å; I23-I27 WeakPolarHBondContact O-CG1 3.4Å; I23-I27 PolarHBondContact O-N 3.07Å; T24-I27 PolarHBondContact O-N 2.79Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.39Å; I27-A30 PolarHBondContact O-N 3.3Å; I27-V31 HydrophobicContact CG2-CG2 4.4Å; I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 2.96Å |
| 28 | L | 94.4 | Very high | 89.2 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 34% | 0.335 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 178.1 | -75 | 174.3 | 0 | 0 | 0 | 112.3 | T24 G25 V31 G32 I64 | T24-L28 WeakPolarHBondContact O-CG 3.47Å; T24-L28 PolarHBondContact O-N 3.24Å; G25-L28 PolarHBondContact O-N 2.93Å; L28-V31 PolarHBondContact O-N 3.35Å; L28-G32 PolarHBondContact O-N 3.5Å; L28-I64 HydrophobicContact CD1-CD1 3.76Å |
| 29 | L | 94.4 | Very high | 87.5 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 173.9 | -174.3 | 95.7 | 0 | 0 | 0 | 110.7 | G25 I27 V31 G32 V33 I58 T62 I65 | G25-L29 WeakPolarHBondContact O-CB 3.4Å; G25-L29 PolarHBondContact O-N 2.91Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.39Å; L29-V31 VanDerWaalsContact C-N 3.35Å; L29-V31 PolarHBondContact O-N 2.93Å; L29-G32 PolarHBondContact O-N 3.43Å; L29-V33 HydrophobicContact CG-CG2 4.37Å; L29-V33 WeakPolarHBondContact O-CB 3.38Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.18Å; L29-V33 PolarHBondContact O-N 3.43Å; L29-I58 HydrophobicContact CD1-CG2 4.23Å; L29-T62 WeakPolarHBondContact CD1-OG1 3.34Å; L29-I65 HydrophobicContact CB-CD1 4.04Å; L29-I65 HydrophobicContact CD2-CD1 4.07Å; L29-I65 HydrophobicContact CG-CD1 4.47Å |
| 30 | A | 92.6 | Very high | 85.4 | Confident | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A26 I27 W34 | A26-A30 VanDerWaalsContact O-CB 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.32Å; A26-A30 PolarHBondContact O-N 2.91Å; I27-A30 PolarHBondContact O-N 3.3Å; A30-W34 WeakPolarHBondContact O-CB 3.48Å; A30-W34 PolarHBondContact O-N 3.37Å |
| 31 | V | 89.4 | Confident | 83.4 | Confident | 77 Ų | 77 | 64 Ų | 64 | 47% | 0.467 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | I27 L28 L29 W34 G35 L57 | I27-V31 HydrophobicContact CG2-CG2 4.4Å; I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 2.96Å; L28-V31 PolarHBondContact O-N 3.35Å; L29-V31 VanDerWaalsContact C-N 3.35Å; L29-V31 PolarHBondContact O-N 2.93Å; V31-W34 PolarHBondContact O-N 3.38Å; V31-G35 PolarHBondContact O-N 3.06Å; V31-L57 HydrophobicContact CB-CD2 4.39Å; V31-L57 HydrophobicContact CG1-CD2 3.82Å |
| 32 | G | 87.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L28 L29 G35 K36 I58 | L28-G32 PolarHBondContact O-N 3.5Å; L29-G32 PolarHBondContact O-N 3.43Å; G32-G35 PolarHBondContact O-N 3.4Å; G32-K36 WeakPolarHBondContact O-CB 3.05Å; G32-K36 PolarHBondContact O-N 3.49Å; G32-I58 VanDerWaalsContact C-CG1 3.45Å |
| 33 | V | 87.3 | Confident | 78.8 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L29 G35 K36 L37 I58 | L29-V33 HydrophobicContact CG-CG2 4.37Å; L29-V33 WeakPolarHBondContact O-CB 3.38Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.18Å; L29-V33 PolarHBondContact O-N 3.43Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 3.07Å; V33-K36 CarbonylContact O-C 3.16Å; V33-K36 PolarHBondContact O-N 2.96Å; V33-L37 HydrophobicContact CG1-CD1 3.59Å; V33-L37 HydrophobicContact CG1-CG 3.95Å; V33-L37 VanDerWaalsContact O-CB 3.29Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 VanDerWaalsContact O-CG 3.27Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 3.27Å; V33-I58 HydrophobicContact CG2-CD1 4.28Å; V33-I58 HydrophobicContact CG2-CG1 4.12Å |
| 34 | W | 84.8 | Confident | 76.3 | Confident | 168 Ų | 168 | 71.9 Ų | 71.9 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 174.7 | -177.7 | -93.2 | 0 | 0 | 0 | 111.4 | A30 V31 L37 M38 | A30-W34 WeakPolarHBondContact O-CB 3.48Å; A30-W34 PolarHBondContact O-N 3.37Å; V31-W34 PolarHBondContact O-N 3.38Å; W34-L37 CarbonylContact O-C 3.54Å; W34-L37 PolarHBondContact O-N 3.35Å; W34-M38 HydrophobicContact CD2-CG 4.25Å; W34-M38 HydrophobicContact CG-CG 4.46Å; W34-M38 HydrophobicContact CH2-CE 3.63Å; W34-M38 HydrophobicContact CZ2-CE 3.15Å; W34-M38 HydrophobicContact CZ2-CG 4.14Å; W34-M38 HydrophobicContact CZ2-SD 4.47Å; W34-M38 WeakPolarHBondContact O-CB 3.45Å; W34-M38 PolarHBondContact O-N 2.92Å |
| 35 | G | 76.3 | Confident | 73.8 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.1 | -52.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V31 G32 V33 L37 M38 L39 | V31-G35 PolarHBondContact O-N 3.06Å; G32-G35 PolarHBondContact O-N 3.4Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 3.07Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 2.97Å; G35-M38 PolarHBondContact O-N 2.71Å; G35-L39 VanDerWaalsContact O-CB 3.26Å; G35-L39 WeakPolarHBondContact O-CB 3.24Å; G35-L39 WeakPolarHBondContact O-CD1 3.36Å; G35-L39 PolarHBondContact O-N 3.47Å |
| 36 | K | 75.7 | Confident | 71.2 | Confident | 94 Ų | 94 | 82.2 Ų | 82.2 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -35.3 | 177.7 | -167.1 | -131 | 178.8 | -176 | 0 | 113.4 | G32 V33 L39 G40 P54 I58 | G32-K36 WeakPolarHBondContact O-CB 3.05Å; G32-K36 PolarHBondContact O-N 3.49Å; V33-K36 CarbonylContact O-C 3.16Å; V33-K36 PolarHBondContact O-N 2.96Å; K36-L39 CarbonylContact O-C 3.59Å; K36-G40 WeakPolarHBondContact O-CA 3.27Å; K36-G40 PolarHBondContact O-N 3.04Å; K36-P54 HydrophobicContact CB-CB 4.44Å; K36-I58 HydrophobicContact CB-CD1 4.1Å |
| 37 | L | 71.8 | Confident | 68.7 | Low | 96 Ų | 96 | 84.5 Ų | 84.5 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -87.8 | -27.4 | -176.9 | -71 | -178.9 | 0 | 0 | 0 | 113.3 | V33 W34 G35 L39 G40 P41 | V33-L37 HydrophobicContact CG1-CD1 3.59Å; V33-L37 HydrophobicContact CG1-CG 3.95Å; V33-L37 VanDerWaalsContact O-CB 3.29Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 VanDerWaalsContact O-CG 3.27Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 3.27Å; W34-L37 CarbonylContact O-C 3.54Å; W34-L37 PolarHBondContact O-N 3.35Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact C-N 3.26Å; L37-G40 PolarHBondContact O-N 3.29Å; L37-P41 WeakPolarHBondContact O-CD 3.37Å |
| 38 | M | 67.1 | Low | 66.2 | Low | 117 Ų | 117 | 86.7 Ų | 86.7 | 58% | 0.576 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.6 | -31.4 | 164.9 | -82.6 | -65.8 | -175.1 | 0 | 0 | 110 | W34 G35 G40 | W34-M38 HydrophobicContact CD2-CG 4.25Å; W34-M38 HydrophobicContact CG-CG 4.46Å; W34-M38 HydrophobicContact CH2-CE 3.63Å; W34-M38 HydrophobicContact CZ2-CE 3.15Å; W34-M38 HydrophobicContact CZ2-CG 4.14Å; W34-M38 HydrophobicContact CZ2-SD 4.47Å; W34-M38 WeakPolarHBondContact O-CB 3.45Å; W34-M38 PolarHBondContact O-N 2.92Å; G35-M38 PolarHBondContact O-N 2.71Å; M38-G40 VanDerWaalsContact C-N 3.34Å |
| 39 | L | 59.4 | Low | 63.9 | Low | 43 Ų | 43 | 90.7 Ų | 90.7 | 23% | 0.225 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -76.8 | -17.1 | 167.4 | -81.5 | 73.1 | 0 | 0 | 0 | 112.7 | G35 K36 L37 I43 E131 R134 | G35-L39 VanDerWaalsContact O-CB 3.26Å; G35-L39 WeakPolarHBondContact O-CB 3.24Å; G35-L39 WeakPolarHBondContact O-CD1 3.36Å; G35-L39 PolarHBondContact O-N 3.47Å; K36-L39 CarbonylContact O-C 3.59Å; L37-L39 VanDerWaalsContact C-N 3.26Å; L39-I43 WeakPolarHBondContact O-CG1 3.42Å; L39-E131 HydrophobicContact CD2-CG 4.15Å; L39-R134 PolarHBondContact O-NH1 3.21Å |
| 40 | G | 50.3 | Low | 61.8 | Low | 20 Ų | 20 | 90.8 Ų | 90.8 | 21% | 0.206 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -86.4 | -42.2 | -156.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | K36 L37 M38 Y42 I43 | K36-G40 WeakPolarHBondContact O-CA 3.27Å; K36-G40 PolarHBondContact O-N 3.04Å; L37-G40 PolarHBondContact O-N 3.29Å; M38-G40 VanDerWaalsContact C-N 3.34Å; G40-Y42 PolarHBondContact O-N 3.38Å; G40-I43 WeakPolarHBondContact O-CB 3.31Å; G40-I43 PolarHBondContact O-N 2.99Å |
| 41 | P | 51.9 | Low | 60.1 | Low | 100 Ų | 100 | 90.7 Ų | 90.7 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.9 | 177.2 | -25.1 | 30.3 | 0 | 0 | 0 | 114.3 | L37 | L37-P41 WeakPolarHBondContact O-CD 3.37Š|
| 42 | Y | 46.3 | Very low | 59.1 | Low | 179 Ų | 179 | 92.6 Ų | 92.6 | 70% | 0.702 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -8.9 | 172.6 | -64.2 | -82.3 | 0 | 0 | 0 | 113 | G40 | G40-Y42 PolarHBondContact O-N 3.38Š|
| 43 | I | 45.3 | Very low | 58.5 | Low | 71 Ų | 71 | 95 Ų | 95 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.8 | -174.8 | -67.3 | -92.7 | 0 | 0 | 0 | 112.6 | L39 G40 L45 | L39-I43 WeakPolarHBondContact O-CG1 3.42Å; G40-I43 WeakPolarHBondContact O-CB 3.31Å; G40-I43 PolarHBondContact O-N 2.99Å; I43-L45 PolarHBondContact O-N 3.46Å; I43-L45 VanDerWaalsContact O-N 3.09Å |
| 44 | S | 43.8 | Very low | 58.2 | Low | 108 Ų | 108 | 93.4 Ų | 93.4 | 76% | 0.755 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -1.8 | 174.7 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 45 | L | 42.4 | Very low | 58.2 | Low | 146 Ų | 146 | 90.6 Ų | 90.6 | 76% | 0.764 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -109.4 | -24.9 | -174.8 | -104.3 | 153.7 | 0 | 0 | 0 | 115.6 | I43 | I43-L45 PolarHBondContact O-N 3.46Å; I43-L45 VanDerWaalsContact O-N 3.09Å |
| 46 | I | 42.1 | Very low | 58.8 | Low | 129 Ų | 129 | 93.9 Ų | 93.9 | 66% | 0.662 | 52% | 0.52 | S | S | * | . | trans | -150.7 | 109.4 | -172.5 | -49.5 | 176.9 | 0 | 0 | 0 | 110 | ||||
| 47 | A | 44.5 | Very low | 59.4 | Low | 82 Ų | 82 | 92 Ų | 92 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | trans | -70.9 | 160.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 48 | D | 42.3 | Very low | 60.4 | Low | 145 Ų | 145 | 89.2 Ų | 89.2 | 78% | 0.775 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 77.8 | 70.8 | 166.4 | -58.4 | -19.8 | 0 | 0 | 0 | 117.7 | ||
| 49 | N | 45.6 | Very low | 61.6 | Low | 147 Ų | 147 | 85.2 Ų | 85.2 | 79% | 0.786 | 49% | 0.488 | S | S | * | . | 169.9 | 88.8 | 118.6 | -86.2 | -29.6 | 0 | 0 | 0 | 109.2 | |||||
| 50 | S | 50.5 | Low | 63.2 | Low | 54 Ų | 54 | 86.2 Ų | 86.2 | 38% | 0.378 | 50% | 0.496 | S | S | . | . | trans | -79.7 | 132.2 | 178.2 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | N52 Y55 E131 | S50-N52 PolarHBondContact O-N 3.34Å; S50-Y55 WeakPolarHBondContact OG-CE2 3.36Å; S50-E131 WeakPolarHBondContact CA-OE2 3.37Å | ||
| 51 | T | 57.8 | Low | 65.4 | Low | 56 Ų | 56 | 85.2 Ų | 85.2 | 34% | 0.344 | 49% | 0.486 | S | S | . | . | trans | -55.8 | 124.2 | 163.9 | -42.7 | 0 | 0 | 0 | 0 | 107.4 | A53 P54 E131 | T51-A53 HydrophobicContact CG2-CB 4.04Å; T51-A53 PolarHBondContact O-N 2.99Å; T51-P54 WeakPolarHBondContact O-CD 3.23Å; T51-E131 WeakPolarHBondContact CA-OE1 3.23Å; T51-E131 WeakPolarHBondContact CB-OE1 3.22Å; T51-E131 VanDerWaalsContact N-CD 3.29Å; T51-E131 PolarHBondContact N-OE1 3.48Å; T51-E131 PolarHBondContact OG1-OE1 2.8Å | ||
| 52 | N | 68.8 | Low | 67.5 | Low | 116 Ų | 116 | 83.4 Ų | 83.4 | 62% | 0.62 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.5 | -11.6 | -178 | -65.9 | -36.5 | 0 | 0 | 0 | 112.9 | S50 Y55 V56 | S50-N52 PolarHBondContact O-N 3.34Å; N52-Y55 PolarHBondContact O-N 2.82Å; N52-V56 VanDerWaalsContact O-CG2 3.3Å; N52-V56 WeakPolarHBondContact O-CG2 3.38Å; N52-V56 PolarHBondContact O-N 3.32Å |
| 53 | A | 74 | Confident | 69.8 | Low | 52 Ų | 52 | 78.4 Ų | 78.4 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.7 | -54.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | T51 Y55 V56 L57 | T51-A53 HydrophobicContact CG2-CB 4.04Å; T51-A53 PolarHBondContact O-N 2.99Å; A53-Y55 VanDerWaalsContact C-N 3.27Å; A53-Y55 PolarHBondContact O-N 3.44Å; A53-V56 WeakPolarHBondContact O-CB 3.39Å; A53-V56 PolarHBondContact O-N 3.46Å; A53-V56 VanDerWaalsContact O-N 3.13Å; A53-L57 WeakPolarHBondContact O-CD1 3.31Å; A53-L57 PolarHBondContact O-N 2.86Å; A53-L57 VanDerWaalsContact O-N 3.09Å |
| 54 | P | 81.4 | Confident | 72.2 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 12% | 0.123 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 175.9 | -25.3 | 35.4 | 0 | 0 | 0 | 113.2 | K36 T51 L57 I58 | K36-P54 HydrophobicContact CB-CB 4.44Å; T51-P54 WeakPolarHBondContact O-CD 3.23Å; P54-L57 PolarHBondContact O-N 2.94Å; P54-I58 VanDerWaalsContact O-CG1 3.25Å; P54-I58 WeakPolarHBondContact O-CG1 3.31Å; P54-I58 PolarHBondContact O-N 3.42Å |
| 55 | Y | 84.6 | Confident | 74.7 | Confident | 110 Ų | 110 | 73.6 Ų | 73.6 | 43% | 0.431 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 176.6 | -68 | -77.5 | 0 | 0 | 0 | 112.6 | S50 N52 A53 I58 G59 | S50-Y55 WeakPolarHBondContact OG-CE2 3.36Å; N52-Y55 PolarHBondContact O-N 2.82Å; A53-Y55 VanDerWaalsContact C-N 3.27Å; A53-Y55 PolarHBondContact O-N 3.44Å; Y55-I58 PolarHBondContact O-N 3.37Å; Y55-G59 PolarHBondContact O-N 2.92Å |
| 56 | V | 88.4 | Confident | 77.2 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 53% | 0.533 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 173.3 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | N52 A53 G59 T60 | N52-V56 VanDerWaalsContact O-CG2 3.3Å; N52-V56 WeakPolarHBondContact O-CG2 3.38Å; N52-V56 PolarHBondContact O-N 3.32Å; A53-V56 WeakPolarHBondContact O-CB 3.39Å; A53-V56 PolarHBondContact O-N 3.46Å; A53-V56 VanDerWaalsContact O-N 3.13Å; V56-G59 PolarHBondContact O-N 3.31Å; V56-T60 HydrophobicContact CG1-CG2 4.32Å; V56-T60 WeakPolarHBondContact O-CB 3.41Å; V56-T60 WeakPolarHBondContact O-CG2 3.31Å; V56-T60 PolarHBondContact O-N 3.37Å; V56-T60 PolarHBondContact O-OG1 2.96Å |
| 57 | L | 89.3 | Confident | 79.7 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 29% | 0.288 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.5 | -82.4 | 89.7 | 0 | 0 | 0 | 112.4 | V31 A53 P54 T60 G61 | V31-L57 HydrophobicContact CB-CD2 4.39Å; V31-L57 HydrophobicContact CG1-CD2 3.82Å; A53-L57 WeakPolarHBondContact O-CD1 3.31Å; A53-L57 PolarHBondContact O-N 2.86Å; A53-L57 VanDerWaalsContact O-N 3.09Å; P54-L57 PolarHBondContact O-N 2.94Å; L57-T60 WeakPolarHBondContact CA-OG1 3.3Å; L57-T60 PolarHBondContact O-OG1 2.91Å; L57-G61 PolarHBondContact O-N 3.43Å |
| 58 | I | 91.7 | Very high | 82 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 177.1 | -67.3 | 166.9 | 0 | 0 | 0 | 110.5 | L29 G32 V33 K36 P54 Y55 T62 | L29-I58 HydrophobicContact CD1-CG2 4.23Å; G32-I58 VanDerWaalsContact C-CG1 3.45Å; V33-I58 HydrophobicContact CG2-CD1 4.28Å; V33-I58 HydrophobicContact CG2-CG1 4.12Å; K36-I58 HydrophobicContact CB-CD1 4.1Å; P54-I58 VanDerWaalsContact O-CG1 3.25Å; P54-I58 WeakPolarHBondContact O-CG1 3.31Å; P54-I58 PolarHBondContact O-N 3.42Å; Y55-I58 PolarHBondContact O-N 3.37Å; I58-T62 WeakPolarHBondContact O-CB 3.48Å; I58-T62 PolarHBondContact O-N 3.44Å; I58-T62 PolarHBondContact O-OG1 2.94Å |
| 59 | G | 93.4 | Very high | 84.5 | Confident | 34 Ų | 34 | 61.5 Ų | 61.5 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -52.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y55 V56 T62 V63 | Y55-G59 PolarHBondContact O-N 2.92Å; V56-G59 PolarHBondContact O-N 3.31Å; G59-T62 PolarHBondContact O-N 3.16Å; G59-V63 VanDerWaalsContact O-CG2 3.31Å; G59-V63 WeakPolarHBondContact O-CG2 3.25Å; G59-V63 PolarHBondContact O-N 3.28Å |
| 60 | T | 93.1 | Very high | 86.8 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 178 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | V56 L57 T62 V63 I64 | V56-T60 HydrophobicContact CG1-CG2 4.32Å; V56-T60 WeakPolarHBondContact O-CB 3.41Å; V56-T60 WeakPolarHBondContact O-CG2 3.31Å; V56-T60 PolarHBondContact O-N 3.37Å; V56-T60 PolarHBondContact O-OG1 2.96Å; L57-T60 WeakPolarHBondContact CA-OG1 3.3Å; L57-T60 PolarHBondContact O-OG1 2.91Å; T60-T62 PolarHBondContact O-N 2.74Å; T60-V63 PolarHBondContact O-N 2.97Å; T60-I64 VanDerWaalsContact O-CG1 3.26Å; T60-I64 WeakPolarHBondContact O-CG1 3.4Å; T60-I64 PolarHBondContact O-N 2.96Å |
| 61 | G | 96.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G25 L57 V63 I64 I65 | G25-G61 WeakPolarHBondContact O-CA 3.41Å; L57-G61 PolarHBondContact O-N 3.43Å; G61-V63 PolarHBondContact O-N 3.17Å; G61-I64 PolarHBondContact O-N 3.2Å; G61-I65 VanDerWaalsContact O-CG1 3.3Å; G61-I65 WeakPolarHBondContact O-CG1 3.42Å; G61-I65 PolarHBondContact O-N 3.48Å |
| 62 | T | 96.2 | Very high | 90.5 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | L29 I58 G59 T60 I64 I65 V66 | L29-T62 WeakPolarHBondContact CD1-OG1 3.34Å; I58-T62 WeakPolarHBondContact O-CB 3.48Å; I58-T62 PolarHBondContact O-N 3.44Å; I58-T62 PolarHBondContact O-OG1 2.94Å; G59-T62 PolarHBondContact O-N 3.16Å; T60-T62 PolarHBondContact O-N 2.74Å; T62-I64 PolarHBondContact O-N 2.97Å; T62-I65 PolarHBondContact O-N 2.97Å; T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 3.48Å |
| 63 | V | 95.1 | Very high | 91.6 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 179.1 | 169.3 | 0 | 0 | 0 | 0 | 111 | G59 T60 G61 I65 V66 F67 | G59-V63 VanDerWaalsContact O-CG2 3.31Å; G59-V63 WeakPolarHBondContact O-CG2 3.25Å; G59-V63 PolarHBondContact O-N 3.28Å; T60-V63 PolarHBondContact O-N 2.97Å; G61-V63 PolarHBondContact O-N 3.17Å; V63-I65 PolarHBondContact O-N 3.3Å; V63-V66 PolarHBondContact O-N 3.31Å; V63-F67 HydrophobicContact CG1-CD2 3.51Å; V63-F67 HydrophobicContact CG1-CE2 3.36Å; V63-F67 VanDerWaalsContact O-CD2 3.24Å; V63-F67 WeakPolarHBondContact O-CD2 3.49Å; V63-F67 PolarHBondContact O-N 3.49Å |
| 64 | I | 95.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.8 | -67.4 | 164.8 | 0 | 0 | 0 | 111.1 | F21 L28 T60 G61 T62 F67 G68 | F21-I64 HydrophobicContact CB-CG2 4.38Å; F21-I64 WeakPolarHBondContact O-CG2 3.3Å; L28-I64 HydrophobicContact CD1-CD1 3.76Å; T60-I64 VanDerWaalsContact O-CG1 3.26Å; T60-I64 WeakPolarHBondContact O-CG1 3.4Å; T60-I64 PolarHBondContact O-N 2.96Å; G61-I64 PolarHBondContact O-N 3.2Å; T62-I64 PolarHBondContact O-N 2.97Å; I64-F67 PolarHBondContact O-N 3.23Å; I64-G68 PolarHBondContact O-N 2.98Å |
| 65 | I | 96.5 | Very high | 92.9 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 176.1 | -74 | 167.8 | 0 | 0 | 0 | 111 | A26 L29 G61 T62 V63 F67 G68 L69 | A26-I65 HydrophobicContact CB-CD1 4.2Å; A26-I65 HydrophobicContact CB-CG1 4.45Å; L29-I65 HydrophobicContact CB-CD1 4.04Å; L29-I65 HydrophobicContact CD2-CD1 4.07Å; L29-I65 HydrophobicContact CG-CD1 4.47Å; G61-I65 VanDerWaalsContact O-CG1 3.3Å; G61-I65 WeakPolarHBondContact O-CG1 3.42Å; G61-I65 PolarHBondContact O-N 3.48Å; T62-I65 PolarHBondContact O-N 2.97Å; V63-I65 PolarHBondContact O-N 3.3Å; I65-F67 VanDerWaalsContact C-N 3.34Å; I65-F67 PolarHBondContact O-N 3.43Å; I65-G68 PolarHBondContact O-N 2.89Å; I65-L69 HydrophobicContact CG2-CD1 4.26Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 3.4Å |
| 66 | V | 95.5 | Very high | 93.1 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 53% | 0.527 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | -179.9 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | T62 V63 L69 F70 | T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 3.48Å; V63-V66 PolarHBondContact O-N 3.31Å; V66-L69 PolarHBondContact O-N 2.85Å; V66-F70 WeakPolarHBondContact O-CB 3.26Å; V66-F70 PolarHBondContact O-N 3.44Å |
| 67 | F | 93.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 178.5 | -75.2 | -51.4 | 0 | 0 | 0 | 113.3 | V63 I64 I65 F70 G71 F89 | V63-F67 HydrophobicContact CG1-CD2 3.51Å; V63-F67 HydrophobicContact CG1-CE2 3.36Å; V63-F67 VanDerWaalsContact O-CD2 3.24Å; V63-F67 WeakPolarHBondContact O-CD2 3.49Å; V63-F67 PolarHBondContact O-N 3.49Å; I64-F67 PolarHBondContact O-N 3.23Å; I65-F67 VanDerWaalsContact C-N 3.34Å; I65-F67 PolarHBondContact O-N 3.43Å; F67-F70 PolarHBondContact O-N 3Å; F67-G71 PolarHBondContact O-N 2.95Å; F67-F89 HydrophobicContact CD1-CD2 4.49Å; F67-F89 HydrophobicContact CD1-CG 4.4Å; F67-F89 HydrophobicContact CE1-CB 4.15Å; F67-F89 AromaticContact CE1-CD1 3.73Å; F67-F89 HydrophobicContact CE1-CD1 3.73Å; F67-F89 AromaticContact CE1-CD2 3.91Å; F67-F89 HydrophobicContact CE1-CD2 3.91Å; F67-F89 HydrophobicContact CE1-CE1 4.03Å; F67-F89 HydrophobicContact CE1-CE2 4.18Å; F67-F89 AromaticContact CE1-CG 3.67Å; F67-F89 HydrophobicContact CE1-CG 3.67Å; F67-F89 HydrophobicContact CE1-CZ 4.25Å; F67-F89 AromaticContact CZ-CD1 3.83Å; F67-F89 HydrophobicContact CZ-CD1 3.83Å; F67-F89 HydrophobicContact CZ-CE1 4.15Å; F67-F89 HydrophobicContact CZ-CG 4.19Å |
| 68 | G | 94 | Very high | 92.9 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I64 I65 G71 C72 | I64-G68 PolarHBondContact O-N 2.98Å; I65-G68 PolarHBondContact O-N 2.89Å; G68-G71 PolarHBondContact O-N 3.09Å; G68-C72 PolarHBondContact O-N 3.03Å; G68-C72 PolarHBondContact O-SG 3.21Å |
| 69 | L | 93.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 50 Ų | 50 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.2 | -71.1 | 175.8 | 0 | 0 | 0 | 111.8 | I65 V66 G71 C72 F73 | I65-L69 HydrophobicContact CG2-CD1 4.26Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 3.4Å; V66-L69 PolarHBondContact O-N 2.85Å; L69-G71 VanDerWaalsContact C-N 3.35Å; L69-G71 PolarHBondContact O-N 3.05Å; L69-C72 PolarHBondContact O-N 2.92Å; L69-F73 WeakPolarHBondContact O-CB 3.43Å; L69-F73 PolarHBondContact O-N 3.33Å |
| 70 | F | 93.9 | Very high | 92.5 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.6 | 178.1 | -102.7 | 0 | 0 | 0 | 111.9 | V66 F67 F73 A74 M82 L85 Y86 F89 | V66-F70 WeakPolarHBondContact O-CB 3.26Å; V66-F70 PolarHBondContact O-N 3.44Å; F67-F70 PolarHBondContact O-N 3Å; F70-F73 PolarHBondContact O-N 3.49Å; F70-A74 VanDerWaalsContact O-CB 3.27Å; F70-A74 WeakPolarHBondContact O-CB 2.74Å; F70-A74 PolarHBondContact O-N 3.19Å; F70-M82 HydrophobicContact CD2-CE 4.48Å; F70-M82 HydrophobicContact CE2-CE 3.78Å; F70-M82 HydrophobicContact CZ-CE 4.33Å; F70-L85 HydrophobicContact CE1-CG 4.49Å; F70-L85 HydrophobicContact CZ-CB 4.35Å; F70-L85 HydrophobicContact CZ-CD2 3.86Å; F70-L85 HydrophobicContact CZ-CG 4.21Å; F70-Y86 AromaticContact CD1-CD2 3.9Å; F70-Y86 HydrophobicContact CD1-CD2 3.9Å; F70-Y86 HydrophobicContact CE1-CD2 4.26Å; F70-F89 HydrophobicContact CE1-CD2 4.47Å |
| 71 | G | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F67 G68 L69 T75 | F67-G71 PolarHBondContact O-N 2.95Å; G68-G71 PolarHBondContact O-N 3.09Å; L69-G71 VanDerWaalsContact C-N 3.35Å; L69-G71 PolarHBondContact O-N 3.05Å; G71-T75 WeakPolarHBondContact O-CB 3.5Å; G71-T75 PolarHBondContact O-N 3.4Å; G71-T75 VanDerWaalsContact O-N 3.08Å; G71-T75 PolarHBondContact O-OG1 3.42Å |
| 72 | C | 92.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 173 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | G68 L69 T75 C76 | G68-C72 PolarHBondContact O-N 3.03Å; G68-C72 PolarHBondContact O-SG 3.21Å; L69-C72 PolarHBondContact O-N 2.92Å; C72-T75 PolarHBondContact O-N 2.97Å; C72-C76 WeakPolarHBondContact O-CB 3.27Å; C72-C76 PolarHBondContact O-N 2.9Å; C72-C76 PolarHBondContact O-SG 3.06Å |
| 73 | F | 91.8 | Very high | 92.2 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | -179.3 | -177 | -107.3 | 0 | 0 | 0 | 112.6 | L69 F70 T75 C76 R77 M82 | L69-F73 WeakPolarHBondContact O-CB 3.43Å; L69-F73 PolarHBondContact O-N 3.33Å; F70-F73 PolarHBondContact O-N 3.49Å; F73-T75 VanDerWaalsContact C-N 3.29Å; F73-T75 PolarHBondContact O-N 3.34Å; F73-C76 PolarHBondContact O-N 3.28Å; F73-R77 VanDerWaalsContact O-CB 3.3Å; F73-R77 WeakPolarHBondContact O-CB 3.26Å; F73-R77 PolarHBondContact O-N 2.99Å; F73-M82 HydrophobicContact CD1-CE 3.3Å; F73-M82 HydrophobicContact CD1-SD 4.47Å; F73-M82 HydrophobicContact CE1-CE 3.48Å; F73-M82 VanDerWaalsContact CE1-CE 3.48Å; F73-M82 HydrophobicContact CE1-SD 4.2Å; F73-M82 HydrophobicContact CG-CE 4.49Å |
| 74 | A | 91.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F70 G78 M82 L83 | F70-A74 VanDerWaalsContact O-CB 3.27Å; F70-A74 WeakPolarHBondContact O-CB 2.74Å; F70-A74 PolarHBondContact O-N 3.19Å; A74-G78 PolarHBondContact O-N 3.44Å; A74-G78 VanDerWaalsContact O-N 3.1Å; A74-M82 HydrophobicContact CB-CB 3.84Å; A74-M82 HydrophobicContact CB-CE 4.25Å; A74-L83 HydrophobicContact CB-CD2 4.33Å |
| 75 | T | 91.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.3 | -43.9 | -179.6 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | K11 L14 I15 G71 C72 F73 G78 L232 | K11-T75 HydrophobicContact CB-CG2 3.95Å; K11-T75 HydrophobicContact CG-CG2 3.9Å; L14-T75 HydrophobicContact CB-CG2 4.2Å; L14-T75 HydrophobicContact CD2-CG2 4.23Å; L14-T75 VanDerWaalsContact CD2-OG1 3.32Å; L14-T75 WeakPolarHBondContact CD2-OG1 3.04Å; L14-T75 HydrophobicContact CG-CG2 4.46Å; I15-T75 HydrophobicContact CD1-CG2 4.07Å; I15-T75 HydrophobicContact CG1-CG2 3.7Å; G71-T75 WeakPolarHBondContact O-CB 3.5Å; G71-T75 PolarHBondContact O-N 3.4Å; G71-T75 VanDerWaalsContact O-N 3.08Å; G71-T75 PolarHBondContact O-OG1 3.42Å; C72-T75 PolarHBondContact O-N 2.97Å; F73-T75 VanDerWaalsContact C-N 3.29Å; F73-T75 PolarHBondContact O-N 3.34Å; T75-G78 PolarHBondContact O-N 2.92Å; T75-L232 HydrophobicContact CG2-CD2 3.95Å |
| 76 | C | 89.7 | Confident | 92 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 60% | 0.595 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64 | -47.3 | 177.6 | -71 | 0 | 0 | 0 | 0 | 111.8 | C72 F73 G78 | C72-C76 WeakPolarHBondContact O-CB 3.27Å; C72-C76 PolarHBondContact O-N 2.9Å; C72-C76 PolarHBondContact O-SG 3.06Å; F73-C76 PolarHBondContact O-N 3.28Å; C76-G78 PolarHBondContact O-N 3.5Å |
| 77 | R | 88.4 | Confident | 92 | Very high | 172 Ų | 172 | 49.7 Ų | 49.7 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.4 | -24.4 | 177 | -166.4 | 170.3 | 175.9 | 107.3 | -1.8 | 111.8 | F73 S79 M82 | F73-R77 VanDerWaalsContact O-CB 3.3Å; F73-R77 WeakPolarHBondContact O-CB 3.26Å; F73-R77 PolarHBondContact O-N 2.99Å; R77-S79 PolarHBondContact O-N 3.27Å; R77-M82 HydrophobicContact CG-SD 4.48Å |
| 78 | G | 84.1 | Confident | 92.1 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 25.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | A74 T75 C76 P80 I236 | A74-G78 PolarHBondContact O-N 3.44Å; A74-G78 VanDerWaalsContact O-N 3.1Å; T75-G78 PolarHBondContact O-N 2.92Å; C76-G78 PolarHBondContact O-N 3.5Å; G78-P80 WeakPolarHBondContact O-CD 3.41Å; G78-I236 WeakPolarHBondContact O-CG2 3.29Å |
| 79 | S | 87.9 | Confident | 92 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | trans | -80.6 | 122.6 | 177.8 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | R77 W81 M82 L83 | R77-S79 PolarHBondContact O-N 3.27Å; S79-W81 PolarHBondContact O-N 3.43Å; S79-M82 PolarHBondContact O-N 2.9Å; S79-L83 PolarHBondContact O-N 3.16Å; S79-L83 VanDerWaalsContact O-N 3.16Å | ||
| 80 | P | 89.4 | Confident | 92.1 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -35.4 | 179.8 | -26.9 | 34.8 | 0 | 0 | 0 | 113.7 | G78 K84 S233 I236 T237 | G78-P80 WeakPolarHBondContact O-CD 3.41Å; P80-K84 WeakPolarHBondContact O-CG 3.3Å; P80-K84 PolarHBondContact O-N 3.03Å; P80-S233 WeakPolarHBondContact CA-OG 3.44Å; P80-S233 PolarHBondContact O-OG 3.12Å; P80-I236 HydrophobicContact CG-CB 4.12Å; P80-I236 HydrophobicContact CG-CG2 3.64Å; P80-T237 VanDerWaalsContact CB-OG1 3.29Å; P80-T237 WeakPolarHBondContact CB-OG1 3.29Å |
| 81 | W | 92.1 | Very high | 92.2 | Very high | 174 Ų | 174 | 49.6 Ų | 49.6 | 66% | 0.659 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.1 | -43.4 | 179.8 | -178.2 | 83.3 | 0 | 0 | 0 | 111.8 | S79 L83 K84 L85 | S79-W81 PolarHBondContact O-N 3.43Å; W81-L83 VanDerWaalsContact C-N 3.35Å; W81-L83 PolarHBondContact O-N 3.35Å; W81-K84 PolarHBondContact O-N 2.94Å; W81-L85 HydrophobicContact CH2-CD2 4.08Å; W81-L85 HydrophobicContact CZ3-CD2 4.27Å; W81-L85 PolarHBondContact O-N 3.37Å |
| 82 | M | 92.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 177.4 | -66.6 | -174.2 | 65.5 | 0 | 0 | 112.5 | F70 F73 A74 R77 S79 L85 Y86 | F70-M82 HydrophobicContact CD2-CE 4.48Å; F70-M82 HydrophobicContact CE2-CE 3.78Å; F70-M82 HydrophobicContact CZ-CE 4.33Å; F73-M82 HydrophobicContact CD1-CE 3.3Å; F73-M82 HydrophobicContact CD1-SD 4.47Å; F73-M82 HydrophobicContact CE1-CE 3.48Å; F73-M82 VanDerWaalsContact CE1-CE 3.48Å; F73-M82 HydrophobicContact CE1-SD 4.2Å; F73-M82 HydrophobicContact CG-CE 4.49Å; A74-M82 HydrophobicContact CB-CB 3.84Å; A74-M82 HydrophobicContact CB-CE 4.25Å; R77-M82 HydrophobicContact CG-SD 4.48Å; S79-M82 PolarHBondContact O-N 2.9Å; M82-L85 PolarHBondContact O-N 2.96Å; M82-Y86 PolarHBondContact O-N 2.91Å |
| 83 | L | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.6 | -70.7 | 170.3 | 0 | 0 | 0 | 112.1 | L14 A74 S79 W81 L85 Y86 A87 L232 I236 | L14-L83 HydrophobicContact CD2-CD2 3.74Å; A74-L83 HydrophobicContact CB-CD2 4.33Å; S79-L83 PolarHBondContact O-N 3.16Å; S79-L83 VanDerWaalsContact O-N 3.16Å; W81-L83 VanDerWaalsContact C-N 3.35Å; W81-L83 PolarHBondContact O-N 3.35Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-Y86 PolarHBondContact O-N 3.33Å; L83-A87 PolarHBondContact O-N 3.25Å; L83-L232 HydrophobicContact CD1-CB 4.21Å; L83-L232 HydrophobicContact CD1-CD2 3.76Å; L83-L232 HydrophobicContact CD1-CG 3.7Å; L83-L232 HydrophobicContact CD2-CD2 4.07Å; L83-I236 HydrophobicContact CD1-CD1 3.9Å |
| 84 | K | 93.8 | Very high | 92.6 | Very high | 117 Ų | 117 | 52.7 Ų | 52.7 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 172.5 | -72.5 | 173.4 | -174.3 | -178.7 | 0 | 111.4 | P80 W81 Y86 A87 M88 S233 | P80-K84 WeakPolarHBondContact O-CG 3.3Å; P80-K84 PolarHBondContact O-N 3.03Å; W81-K84 PolarHBondContact O-N 2.94Å; K84-Y86 VanDerWaalsContact C-N 3.35Å; K84-A87 PolarHBondContact O-N 3.43Å; K84-M88 WeakPolarHBondContact O-CB 3.36Å; K84-M88 PolarHBondContact O-N 2.87Å; K84-S233 WeakPolarHBondContact CE-OG 3.49Å; K84-S233 WeakPolarHBondContact CG-OG 3.37Å |
| 85 | L | 94.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 177 | -173.5 | 64.5 | 0 | 0 | 0 | 111.4 | F70 W81 M82 L83 M88 F89 | F70-L85 HydrophobicContact CE1-CG 4.49Å; F70-L85 HydrophobicContact CZ-CB 4.35Å; F70-L85 HydrophobicContact CZ-CD2 3.86Å; F70-L85 HydrophobicContact CZ-CG 4.21Å; W81-L85 HydrophobicContact CH2-CD2 4.08Å; W81-L85 HydrophobicContact CZ3-CD2 4.27Å; W81-L85 PolarHBondContact O-N 3.37Å; M82-L85 PolarHBondContact O-N 2.96Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L85-M88 HydrophobicContact CD1-CE 3.5Å; L85-M88 VanDerWaalsContact CD1-CE 3.5Å; L85-M88 WeakPolarHBondContact O-CB 3.07Å; L85-M88 PolarHBondContact O-N 3.36Å; L85-F89 HydrophobicContact CD1-CD2 4.38Å; L85-F89 HydrophobicContact CD1-CE2 3.84Å; L85-F89 HydrophobicContact CD1-CZ 4.39Å; L85-F89 HydrophobicContact CD2-CE2 4.11Å; L85-F89 HydrophobicContact CG-CD2 4.07Å; L85-F89 HydrophobicContact CG-CE2 3.64Å; L85-F89 WeakPolarHBondContact O-CD2 3.49Å; L85-F89 PolarHBondContact O-N 3.43Å |
| 86 | Y | 94.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 60 Ų | 60 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 174.3 | -175.4 | -124.5 | 0 | 0 | 0 | 112.1 | L14 S18 F70 M82 L83 K84 M88 F89 L90 A229 | L14-Y86 HydrophobicContact CD1-CE1 4.04Å; S18-Y86 PolarHBondContact OG-OH 2.92Å; F70-Y86 AromaticContact CD1-CD2 3.9Å; F70-Y86 HydrophobicContact CD1-CD2 3.9Å; F70-Y86 HydrophobicContact CE1-CD2 4.26Å; M82-Y86 PolarHBondContact O-N 2.91Å; L83-Y86 PolarHBondContact O-N 3.33Å; K84-Y86 VanDerWaalsContact C-N 3.35Å; Y86-M88 VanDerWaalsContact C-N 3.31Å; Y86-M88 PolarHBondContact O-N 2.76Å; Y86-F89 PolarHBondContact O-N 3.31Å; Y86-L90 HydrophobicContact CD1-CD1 4.16Å; Y86-L90 HydrophobicContact CE1-CD1 3.8Å; Y86-L90 HydrophobicContact CE2-CG 4.4Å; Y86-L90 WeakPolarHBondContact O-CG 3.16Å; Y86-L90 PolarHBondContact O-N 2.77Å; Y86-A229 HydrophobicContact CD1-CB 4.19Å |
| 87 | A | 95.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L83 K84 L90 S91 A229 | L83-A87 PolarHBondContact O-N 3.25Å; K84-A87 PolarHBondContact O-N 3.43Å; A87-L90 PolarHBondContact O-N 3.18Å; A87-S91 WeakPolarHBondContact O-CB 3.32Å; A87-S91 PolarHBondContact O-N 3.22Å; A87-A229 HydrophobicContact CB-CB 4.05Å |
| 88 | M | 95.5 | Very high | 93.4 | Very high | 78 Ų | 78 | 53 Ų | 53 | 38% | 0.384 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 175.8 | -176.7 | -78 | -62.4 | 0 | 0 | 111.5 | K84 L85 Y86 S91 L92 | K84-M88 WeakPolarHBondContact O-CB 3.36Å; K84-M88 PolarHBondContact O-N 2.87Å; L85-M88 HydrophobicContact CD1-CE 3.5Å; L85-M88 VanDerWaalsContact CD1-CE 3.5Å; L85-M88 WeakPolarHBondContact O-CB 3.07Å; L85-M88 PolarHBondContact O-N 3.36Å; Y86-M88 VanDerWaalsContact C-N 3.31Å; Y86-M88 PolarHBondContact O-N 2.76Å; M88-S91 WeakPolarHBondContact O-CB 3.3Å; M88-S91 PolarHBondContact O-N 3.5Å; M88-L92 HydrophobicContact CE-CD1 4.5Å; M88-L92 PolarHBondContact O-N 2.72Å; M88-L92 HydrophobicContact SD-CD1 3.4Å; M88-L92 WeakPolarHBondContact SD-CD1 3.46Å; M88-L92 HydrophobicContact SD-CG 3.86Å |
| 89 | F | 93.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.3 | -76.4 | -61.8 | 0 | 0 | 0 | 112.4 | F67 F70 L85 Y86 S91 L92 V93 | F67-F89 HydrophobicContact CD1-CD2 4.49Å; F67-F89 HydrophobicContact CD1-CG 4.4Å; F67-F89 HydrophobicContact CE1-CB 4.15Å; F67-F89 AromaticContact CE1-CD1 3.73Å; F67-F89 HydrophobicContact CE1-CD1 3.73Å; F67-F89 AromaticContact CE1-CD2 3.91Å; F67-F89 HydrophobicContact CE1-CD2 3.91Å; F67-F89 HydrophobicContact CE1-CE1 4.03Å; F67-F89 HydrophobicContact CE1-CE2 4.18Å; F67-F89 AromaticContact CE1-CG 3.67Å; F67-F89 HydrophobicContact CE1-CG 3.67Å; F67-F89 HydrophobicContact CE1-CZ 4.25Å; F67-F89 AromaticContact CZ-CD1 3.83Å; F67-F89 HydrophobicContact CZ-CD1 3.83Å; F67-F89 HydrophobicContact CZ-CE1 4.15Å; F67-F89 HydrophobicContact CZ-CG 4.19Å; F70-F89 HydrophobicContact CE1-CD2 4.47Å; L85-F89 HydrophobicContact CD1-CD2 4.38Å; L85-F89 HydrophobicContact CD1-CE2 3.84Å; L85-F89 HydrophobicContact CD1-CZ 4.39Å; L85-F89 HydrophobicContact CD2-CE2 4.11Å; L85-F89 HydrophobicContact CG-CD2 4.07Å; L85-F89 HydrophobicContact CG-CE2 3.64Å; L85-F89 WeakPolarHBondContact O-CD2 3.49Å; L85-F89 PolarHBondContact O-N 3.43Å; Y86-F89 PolarHBondContact O-N 3.31Å; F89-S91 PolarHBondContact O-N 3.25Å; F89-L92 PolarHBondContact O-N 2.73Å; F89-V93 WeakPolarHBondContact O-CG2 3.4Å; F89-V93 PolarHBondContact O-N 3.43Å |
| 90 | L | 94.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 175.2 | -69.9 | 176.8 | 0 | 0 | 0 | 111.9 | Y17 Y86 A87 V93 F94 M226 | Y17-L90 HydrophobicContact CE1-CD1 4.31Å; Y86-L90 HydrophobicContact CD1-CD1 4.16Å; Y86-L90 HydrophobicContact CE1-CD1 3.8Å; Y86-L90 HydrophobicContact CE2-CG 4.4Å; Y86-L90 WeakPolarHBondContact O-CG 3.16Å; Y86-L90 PolarHBondContact O-N 2.77Å; A87-L90 PolarHBondContact O-N 3.18Å; L90-V93 PolarHBondContact O-N 3.37Å; L90-F94 WeakPolarHBondContact O-CB 3.34Å; L90-F94 PolarHBondContact O-N 2.86Å; L90-M226 HydrophobicContact CB-CG 3.61Å; L90-M226 HydrophobicContact CB-SD 4.48Å; L90-M226 HydrophobicContact CD1-CG 4.32Å |
| 91 | S | 95.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 175.9 | -178 | 0 | 0 | 0 | 0 | 112.6 | A87 M88 F89 V93 F94 L95 M226 | A87-S91 WeakPolarHBondContact O-CB 3.32Å; A87-S91 PolarHBondContact O-N 3.22Å; M88-S91 WeakPolarHBondContact O-CB 3.3Å; M88-S91 PolarHBondContact O-N 3.5Å; F89-S91 PolarHBondContact O-N 3.25Å; S91-V93 VanDerWaalsContact C-N 3.34Å; S91-V93 PolarHBondContact O-N 3.21Å; S91-F94 PolarHBondContact O-N 3.43Å; S91-L95 WeakPolarHBondContact O-CG 3.31Å; S91-L95 PolarHBondContact O-N 3.47Å; S91-M226 VanDerWaalsContact CA-SD 3.57Å |
| 92 | L | 95.3 | Very high | 94.2 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.5 | -71.6 | 178 | 0 | 0 | 0 | 111.8 | M88 F89 L95 A96 | M88-L92 HydrophobicContact CE-CD1 4.5Å; M88-L92 PolarHBondContact O-N 2.72Å; M88-L92 HydrophobicContact SD-CD1 3.4Å; M88-L92 WeakPolarHBondContact SD-CD1 3.46Å; M88-L92 HydrophobicContact SD-CG 3.86Å; F89-L92 PolarHBondContact O-N 2.73Å; L92-L95 PolarHBondContact O-N 2.81Å; L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 2.88Å |
| 93 | V | 94.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | F89 L90 S91 L95 A96 E97 | F89-V93 WeakPolarHBondContact O-CG2 3.4Å; F89-V93 PolarHBondContact O-N 3.43Å; L90-V93 PolarHBondContact O-N 3.37Å; S91-V93 VanDerWaalsContact C-N 3.34Å; S91-V93 PolarHBondContact O-N 3.21Å; V93-L95 PolarHBondContact O-N 2.89Å; V93-A96 WeakPolarHBondContact O-CB 3.12Å; V93-A96 PolarHBondContact O-N 3.22Å; V93-E97 WeakPolarHBondContact O-CB 3.31Å; V93-E97 PolarHBondContact O-N 3.45Å |
| 94 | F | 95.9 | Very high | 94 | Very high | 39 Ų | 39 | 59 Ų | 59 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 175.8 | 175.9 | -98 | 0 | 0 | 0 | 112.6 | L90 S91 E97 L98 A219 L223 M226 | L90-F94 WeakPolarHBondContact O-CB 3.34Å; L90-F94 PolarHBondContact O-N 2.86Å; S91-F94 PolarHBondContact O-N 3.43Å; F94-E97 PolarHBondContact O-N 2.93Å; F94-L98 HydrophobicContact CD1-CD1 3.99Å; F94-L98 HydrophobicContact CE1-CD1 3.39Å; F94-L98 HydrophobicContact CE1-CG 4.15Å; F94-L98 HydrophobicContact CZ-CD1 3.74Å; F94-L98 HydrophobicContact CZ-CD2 4.47Å; F94-L98 HydrophobicContact CZ-CG 4.18Å; F94-L98 WeakPolarHBondContact O-CG 3.38Å; F94-L98 PolarHBondContact O-N 2.9Å; F94-A219 HydrophobicContact CD2-CB 4.18Å; F94-A219 HydrophobicContact CE2-CB 3.94Å; F94-L223 HydrophobicContact CD2-CD2 4.5Å; F94-L223 HydrophobicContact CD2-CG 4.41Å; F94-L223 HydrophobicContact CE2-CD1 4.12Å; F94-L223 HydrophobicContact CE2-CD2 4.13Å; F94-L223 HydrophobicContact CE2-CG 3.97Å; F94-L223 HydrophobicContact CZ-CD1 4.37Å; F94-L223 HydrophobicContact CZ-CD2 4.17Å; F94-L223 HydrophobicContact CZ-CG 4.41Å; F94-M226 HydrophobicContact CB-CE 3.84Å; F94-M226 HydrophobicContact CD2-CE 4.38Å; F94-M226 HydrophobicContact CG-CE 4.02Å |
| 95 | L | 96.7 | Very high | 93.7 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 175.9 | -68.2 | 175.5 | 0 | 0 | 0 | 111.8 | S91 L92 V93 E97 L98 V99 | S91-L95 WeakPolarHBondContact O-CG 3.31Å; S91-L95 PolarHBondContact O-N 3.47Å; L92-L95 PolarHBondContact O-N 2.81Å; V93-L95 PolarHBondContact O-N 2.89Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 3.18Å; L95-L98 PolarHBondContact O-N 3.42Å; L95-V99 WeakPolarHBondContact O-CG2 3.5Å; L95-V99 PolarHBondContact O-N 2.87Å |
| 96 | A | 94.5 | Very high | 93.7 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L92 V93 V99 A100 | L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 2.88Å; V93-A96 WeakPolarHBondContact O-CB 3.12Å; V93-A96 PolarHBondContact O-N 3.22Å; A96-V99 PolarHBondContact O-N 3.45Å; A96-A100 VanDerWaalsContact O-CB 3.27Å; A96-A100 WeakPolarHBondContact O-CB 3.43Å; A96-A100 PolarHBondContact O-N 3.33Å |
| 97 | E | 92.9 | Very high | 93.5 | Very high | 35 Ų | 35 | 66.7 Ų | 66.7 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177 | -173 | 172.5 | 170.5 | 0 | 0 | 112 | V93 F94 L95 A100 G101 T215 I218 Q222 | V93-E97 WeakPolarHBondContact O-CB 3.31Å; V93-E97 PolarHBondContact O-N 3.45Å; F94-E97 PolarHBondContact O-N 2.93Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 3.18Å; E97-A100 PolarHBondContact O-N 3.45Å; E97-G101 PolarHBondContact O-N 3Å; E97-T215 HydrophobicContact CG-CG2 4.34Å; E97-T215 VanDerWaalsContact OE1-O 3.1Å; E97-I218 WeakPolarHBondContact OE1-CB 3.44Å; E97-I218 WeakPolarHBondContact OE1-CG2 3.3Å; E97-I218 WeakPolarHBondContact OE2-CG2 3.49Å; E97-Q222 PolarHBondContact OE2-NE2 3.06Å; E97-Q222 PolarHBondContact OE2-OE1 2.03Å |
| 98 | L | 94.4 | Very high | 93.2 | Very high | 77 Ų | 77 | 70 Ų | 70 | 40% | 0.403 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 173.3 | -75.8 | 178.8 | 0 | 0 | 0 | 111.8 | F94 L95 A100 G101 I102 | F94-L98 HydrophobicContact CD1-CD1 3.99Å; F94-L98 HydrophobicContact CE1-CD1 3.39Å; F94-L98 HydrophobicContact CE1-CG 4.15Å; F94-L98 HydrophobicContact CZ-CD1 3.74Å; F94-L98 HydrophobicContact CZ-CD2 4.47Å; F94-L98 HydrophobicContact CZ-CG 4.18Å; F94-L98 WeakPolarHBondContact O-CG 3.38Å; F94-L98 PolarHBondContact O-N 2.9Å; L95-L98 PolarHBondContact O-N 3.42Å; L98-A100 VanDerWaalsContact C-N 3.35Å; L98-A100 PolarHBondContact O-N 3.26Å; L98-G101 PolarHBondContact O-N 2.9Å; L98-I102 WeakPolarHBondContact O-CB 3.44Å; L98-I102 WeakPolarHBondContact O-CD1 3.4Å; L98-I102 VanDerWaalsContact O-CG1 3.24Å; L98-I102 WeakPolarHBondContact O-CG1 3.49Å; L98-I102 PolarHBondContact O-N 2.9Å |
| 99 | V | 95.9 | Very high | 92.9 | Very high | 93 Ų | 93 | 71.9 Ų | 71.9 | 56% | 0.564 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L95 A96 S103 | L95-V99 WeakPolarHBondContact O-CG2 3.5Å; L95-V99 PolarHBondContact O-N 2.87Å; A96-V99 PolarHBondContact O-N 3.45Å; V99-S103 VanDerWaalsContact O-CB 3.22Å; V99-S103 WeakPolarHBondContact O-CB 3Å; V99-S103 PolarHBondContact O-N 3.34Å; V99-S103 PolarHBondContact O-OG 2.98Å |
| 100 | A | 91.9 | Very high | 92.8 | Very high | 64 Ų | 64 | 74.4 Ų | 74.4 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | A96 E97 L98 S103 G104 | A96-A100 VanDerWaalsContact O-CB 3.27Å; A96-A100 WeakPolarHBondContact O-CB 3.43Å; A96-A100 PolarHBondContact O-N 3.33Å; E97-A100 PolarHBondContact O-N 3.45Å; L98-A100 VanDerWaalsContact C-N 3.35Å; L98-A100 PolarHBondContact O-N 3.26Å; A100-S103 PolarHBondContact O-N 3.46Å; A100-G104 PolarHBondContact O-N 3.49Å |
| 101 | G | 91.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 77.4 Ų | 77.4 | 38% | 0.381 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E97 L98 G104 F105 | E97-G101 PolarHBondContact O-N 3Å; L98-G101 PolarHBondContact O-N 2.9Å; G101-G104 PolarHBondContact O-N 3.2Å; G101-F105 PolarHBondContact O-N 3.43Å |
| 102 | I | 92.5 | Very high | 92.2 | Very high | 109 Ų | 109 | 76.2 Ų | 76.2 | 56% | 0.559 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62 | -48.2 | 175.9 | -65.9 | 165.2 | 0 | 0 | 0 | 110 | L98 G104 F105 V106 | L98-I102 WeakPolarHBondContact O-CB 3.44Å; L98-I102 WeakPolarHBondContact O-CD1 3.4Å; L98-I102 VanDerWaalsContact O-CG1 3.24Å; L98-I102 WeakPolarHBondContact O-CG1 3.49Å; L98-I102 PolarHBondContact O-N 2.9Å; I102-G104 PolarHBondContact O-N 2.84Å; I102-F105 PolarHBondContact O-N 3.22Å; I102-V106 HydrophobicContact CG2-CG2 4.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.5Å; I102-V106 PolarHBondContact O-N 2.87Å |
| 103 | S | 92.5 | Very high | 92 | Very high | 47 Ų | 47 | 72.1 Ų | 72.1 | 33% | 0.329 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | V99 A100 F105 V106 F107 | V99-S103 VanDerWaalsContact O-CB 3.22Å; V99-S103 WeakPolarHBondContact O-CB 3Å; V99-S103 PolarHBondContact O-N 3.34Å; V99-S103 PolarHBondContact O-OG 2.98Å; A100-S103 PolarHBondContact O-N 3.46Å; S103-F105 VanDerWaalsContact C-N 3.3Å; S103-F105 PolarHBondContact O-N 3.34Å; S103-V106 PolarHBondContact O-N 2.96Å; S103-F107 WeakPolarHBondContact O-CB 2.98Å; S103-F107 VanDerWaalsContact O-CD2 3.25Å; S103-F107 WeakPolarHBondContact O-CD2 3.26Å; S103-F107 PolarHBondContact O-N 3.39Å |
| 104 | G | 89.3 | Confident | 91.8 | Very high | 32 Ų | 32 | 72.4 Ų | 72.4 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A100 G101 I102 R108 | A100-G104 PolarHBondContact O-N 3.49Å; G101-G104 PolarHBondContact O-N 3.2Å; I102-G104 PolarHBondContact O-N 2.84Å; G104-R108 WeakPolarHBondContact O-CA 3.09Å; G104-R108 WeakPolarHBondContact O-CB 3.32Å; G104-R108 PolarHBondContact O-N 2.9Å |
| 105 | F | 88 | Confident | 91.5 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 55% | 0.548 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.8 | -48.4 | 175.1 | -176.4 | -97 | 0 | 0 | 0 | 112.3 | G101 I102 S103 R108 | G101-F105 PolarHBondContact O-N 3.43Å; I102-F105 PolarHBondContact O-N 3.22Å; S103-F105 VanDerWaalsContact C-N 3.3Å; S103-F105 PolarHBondContact O-N 3.34Å; F105-R108 VanDerWaalsContact CE2-NH1 3.31Å; F105-R108 WeakPolarHBondContact O-CB 3.37Å; F105-R108 WeakPolarHBondContact O-CD 3.42Å; F105-R108 VanDerWaalsContact O-CG 3.31Å; F105-R108 WeakPolarHBondContact O-CG 3.48Å; F105-R108 PolarHBondContact O-N 3.24Å |
| 106 | V | 92.8 | Very high | 91.4 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | -178.7 | 170.7 | 0 | 0 | 0 | 0 | 111 | I102 S103 R108 | I102-V106 HydrophobicContact CG2-CG2 4.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.5Å; I102-V106 PolarHBondContact O-N 2.87Å; S103-V106 PolarHBondContact O-N 2.96Å; V106-R108 VanDerWaalsContact C-N 3.33Å; V106-R108 PolarHBondContact O-N 2.84Å |
| 107 | F | 91.6 | Very high | 91.2 | Very high | 117 Ų | 117 | 77.6 Ų | 77.6 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 15 | -176.9 | -60.9 | -66.7 | 0 | 0 | 0 | 113.8 | S103 H109 E110 I111 | S103-F107 WeakPolarHBondContact O-CB 2.98Å; S103-F107 VanDerWaalsContact O-CD2 3.25Å; S103-F107 WeakPolarHBondContact O-CD2 3.26Å; S103-F107 PolarHBondContact O-N 3.39Å; F107-H109 PolarHBondContact O-N 3.19Å; F107-H109 VanDerWaalsContact O-N 3.14Å; F107-E110 PolarHBondContact O-N 3.32Å; F107-I111 WeakPolarHBondContact O-CG1 3.4Å; F107-I111 PolarHBondContact O-N 2.97Å |
| 108 | R | 88 | Confident | 91 | Very high | 81 Ų | 81 | 80.4 Ų | 80.4 | 31% | 0.306 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -54.6 | -37.4 | -176.2 | 71.3 | -173 | -175 | -167 | -0.8 | 113.9 | G104 F105 V106 K112 | G104-R108 WeakPolarHBondContact O-CA 3.09Å; G104-R108 WeakPolarHBondContact O-CB 3.32Å; G104-R108 PolarHBondContact O-N 2.9Å; F105-R108 VanDerWaalsContact CE2-NH1 3.31Å; F105-R108 WeakPolarHBondContact O-CB 3.37Å; F105-R108 WeakPolarHBondContact O-CD 3.42Å; F105-R108 VanDerWaalsContact O-CG 3.31Å; F105-R108 WeakPolarHBondContact O-CG 3.48Å; F105-R108 PolarHBondContact O-N 3.24Å; V106-R108 VanDerWaalsContact C-N 3.33Å; V106-R108 PolarHBondContact O-N 2.84Å; R108-K112 WeakPolarHBondContact O-CG 3.5Å; R108-K112 PolarHBondContact O-N 3.49Å; R108-K112 VanDerWaalsContact O-N 3.09Å |
| 109 | H | 89.9 | Confident | 90.9 | Very high | 117 Ų | 117 | 77.3 Ų | 77.3 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -72.3 | -39.1 | -179.5 | -68.4 | -75.1 | 0 | 0 | 0 | 111.4 | F107 K112 G113 | F107-H109 PolarHBondContact O-N 3.19Å; F107-H109 VanDerWaalsContact O-N 3.14Å; H109-K112 PolarHBondContact O-N 3.43Å; H109-G113 PolarHBondContact O-N 3.38Å |
| 110 | E | 91.7 | Very high | 90.8 | Very high | 114 Ų | 114 | 75 Ų | 75 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 174.5 | -70.1 | -55.9 | 139.3 | 0 | 0 | 112 | F107 G113 T114 | F107-E110 PolarHBondContact O-N 3.32Å; E110-G113 PolarHBondContact O-N 2.98Å; E110-T114 VanDerWaalsContact O-CB 3.31Å; E110-T114 WeakPolarHBondContact O-CB 3.26Å; E110-T114 PolarHBondContact O-N 3.29Å; E110-T114 PolarHBondContact O-OG1 2.71Å |
| 111 | I | 87.4 | Confident | 90.8 | Very high | 84 Ų | 84 | 76.5 Ų | 76.5 | 43% | 0.431 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 174.5 | -66.5 | 165.9 | 0 | 0 | 0 | 110.1 | F107 G113 T114 F115 | F107-I111 WeakPolarHBondContact O-CG1 3.4Å; F107-I111 PolarHBondContact O-N 2.97Å; I111-G113 PolarHBondContact O-N 3.01Å; I111-T114 PolarHBondContact O-N 3.3Å; I111-F115 WeakPolarHBondContact O-CB 3.36Å; I111-F115 PolarHBondContact O-N 2.75Å |
| 112 | K | 89.5 | Confident | 90.8 | Very high | 22 Ų | 22 | 75.5 Ų | 75.5 | 10% | 0.096 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 174.8 | -73.4 | 179.4 | 176.9 | 176.7 | 0 | 111.8 | R108 H109 T114 F115 R116 F197 T201 E205 | R108-K112 WeakPolarHBondContact O-CG 3.5Å; R108-K112 PolarHBondContact O-N 3.49Å; R108-K112 VanDerWaalsContact O-N 3.09Å; H109-K112 PolarHBondContact O-N 3.43Å; K112-T114 VanDerWaalsContact C-N 3.35Å; K112-T114 PolarHBondContact O-N 3.09Å; K112-F115 PolarHBondContact O-N 3.28Å; K112-R116 WeakPolarHBondContact O-CB 3.45Å; K112-R116 PolarHBondContact O-N 3.47Å; K112-F197 WeakPolarHBondContact O-CE2 3.43Å; K112-T201 HydrophobicContact CB-CG2 4.47Å; K112-T201 HydrophobicContact CD-CG2 4.06Å; K112-T201 HydrophobicContact CG-CG2 4.06Å; K112-E205 VanDerWaalsContact NZ-CD 3.33Å; K112-E205 IonicContact NZ-OE1 2.6Å; K112-E205 PolarHBondContact NZ-OE1 3.46Å |
| 113 | G | 91.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 70.3 Ų | 70.3 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H109 E110 I111 R116 R117 | H109-G113 PolarHBondContact O-N 3.38Å; E110-G113 PolarHBondContact O-N 2.98Å; I111-G113 PolarHBondContact O-N 3.01Å; G113-R116 WeakPolarHBondContact O-CB 3.36Å; G113-R116 PolarHBondContact O-N 2.72Å; G113-R117 WeakPolarHBondContact O-CG 3.21Å; G113-R117 PolarHBondContact O-N 3.2Å |
| 114 | T | 89.6 | Confident | 91 | Very high | 71 Ų | 71 | 71.3 Ų | 71.3 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 176.7 | -58 | 0 | 0 | 0 | 0 | 110.7 | E110 I111 K112 R116 R117 T118 | E110-T114 VanDerWaalsContact O-CB 3.31Å; E110-T114 WeakPolarHBondContact O-CB 3.26Å; E110-T114 PolarHBondContact O-N 3.29Å; E110-T114 PolarHBondContact O-OG1 2.71Å; I111-T114 PolarHBondContact O-N 3.3Å; K112-T114 VanDerWaalsContact C-N 3.35Å; K112-T114 PolarHBondContact O-N 3.09Å; T114-R116 VanDerWaalsContact C-N 3.28Å; T114-R116 PolarHBondContact O-N 3.13Å; T114-R117 PolarHBondContact O-N 2.96Å; T114-R117 VanDerWaalsContact O-N 3.1Å; T114-T118 PolarHBondContact O-N 3.4Å; T114-T118 PolarHBondContact O-OG1 3.31Å |
| 115 | F | 89.3 | Confident | 91.2 | Very high | 63 Ų | 63 | 73.6 Ų | 73.6 | 28% | 0.276 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.8 | -45.6 | 175.3 | 177.5 | -109.6 | 0 | 0 | 0 | 111.4 | I111 K112 R117 Y119 L139 F197 V200 | I111-F115 WeakPolarHBondContact O-CB 3.36Å; I111-F115 PolarHBondContact O-N 2.75Å; K112-F115 PolarHBondContact O-N 3.28Å; F115-R117 PolarHBondContact O-N 2.78Å; F115-Y119 WeakPolarHBondContact O-CB 3.36Å; F115-Y119 PolarHBondContact O-N 3.1Å; F115-L139 HydrophobicContact CE2-CD1 4.3Å; F115-L139 HydrophobicContact CZ-CD1 4.05Å; F115-F197 AromaticContact CD1-CD2 3.81Å; F115-F197 HydrophobicContact CD1-CD2 3.81Å; F115-F197 HydrophobicContact CD1-CE2 4.28Å; F115-F197 HydrophobicContact CE1-CD2 4.16Å; F115-V200 HydrophobicContact CD1-CG1 4.34Å; F115-V200 HydrophobicContact CE1-CB 3.96Å; F115-V200 HydrophobicContact CE1-CG1 3.88Å; F115-V200 HydrophobicContact CE1-CG2 4.14Å; F115-V200 HydrophobicContact CZ-CB 4.44Å; F115-V200 HydrophobicContact CZ-CG1 4.32Å; F115-V200 HydrophobicContact CZ-CG2 4.16Å |
| 116 | R | 93.9 | Very high | 91.4 | Very high | 93 Ų | 93 | 68 Ų | 68 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.9 | -53 | 174.8 | -172.4 | 179.3 | 57.7 | -169.3 | 3.1 | 112 | K112 G113 T114 Y119 T120 V148 Y149 F197 | K112-R116 WeakPolarHBondContact O-CB 3.45Å; K112-R116 PolarHBondContact O-N 3.47Å; G113-R116 WeakPolarHBondContact O-CB 3.36Å; G113-R116 PolarHBondContact O-N 2.72Å; T114-R116 VanDerWaalsContact C-N 3.28Å; T114-R116 PolarHBondContact O-N 3.13Å; R116-Y119 PolarHBondContact O-N 2.89Å; R116-T120 WeakPolarHBondContact O-CB 3.48Å; R116-T120 PolarHBondContact O-N 3.1Å; R116-T120 PolarHBondContact O-OG1 3.21Å; R116-V148 HydrophobicContact CG-CG1 4.46Å; R116-Y149 WeakPolarHBondContact CD-OH 3.4Å; R116-Y149 PolarHBondContact NH1-OH 3.01Å; R116-F197 HydrophobicContact CB-CD2 3.72Å; R116-F197 HydrophobicContact CB-CE2 3.49Å; R116-F197 VanDerWaalsContact CB-CE2 3.49Å; R116-F197 HydrophobicContact CB-CG 4.41Å; R116-F197 HydrophobicContact CB-CZ 3.95Å; R116-F197 HydrophobicContact CG-CD1 4.44Å; R116-F197 HydrophobicContact CG-CD2 4.07Å; R116-F197 HydrophobicContact CG-CE1 4.42Å; R116-F197 HydrophobicContact CG-CE2 4.09Å; R116-F197 HydrophobicContact CG-CG 4.25Å; R116-F197 HydrophobicContact CG-CZ 4.24Å |
| 117 | R | 92.1 | Very high | 91.3 | Very high | 146 Ų | 146 | 66.9 Ų | 66.9 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.4 | -49.9 | -176.2 | -71 | 174.9 | -167.1 | 121.5 | -3.5 | 111 | G113 T114 F115 Y119 T120 D121 | G113-R117 WeakPolarHBondContact O-CG 3.21Å; G113-R117 PolarHBondContact O-N 3.2Å; T114-R117 PolarHBondContact O-N 2.96Å; T114-R117 VanDerWaalsContact O-N 3.1Å; F115-R117 PolarHBondContact O-N 2.78Å; R117-Y119 PolarHBondContact O-N 3.01Å; R117-T120 PolarHBondContact O-N 3.33Å; R117-D121 WeakPolarHBondContact O-CB 3.48Å; R117-D121 PolarHBondContact O-N 3.19Å |
| 118 | T | 87.9 | Confident | 91.1 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | -179.9 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | T114 D121 A122 | T114-T118 PolarHBondContact O-N 3.4Å; T114-T118 PolarHBondContact O-OG1 3.31Å; T118-D121 PolarHBondContact O-N 2.66Å; T118-A122 WeakPolarHBondContact O-CB 3.37Å; T118-A122 PolarHBondContact O-N 3.18Å |
| 119 | Y | 91.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 68 Ų | 68 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.9 | -38.3 | 179.2 | -172.7 | -109.2 | 0 | 0 | 0 | 112.3 | F115 R116 R117 A122 V123 V136 L139 Q140 G147 V148 C196 | F115-Y119 WeakPolarHBondContact O-CB 3.36Å; F115-Y119 PolarHBondContact O-N 3.1Å; R116-Y119 PolarHBondContact O-N 2.89Å; R117-Y119 PolarHBondContact O-N 3.01Å; Y119-A122 PolarHBondContact O-N 3.49Å; Y119-V123 HydrophobicContact CD1-CG2 4.3Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.31Å; Y119-V123 WeakPolarHBondContact O-CG2 3.27Å; Y119-V123 PolarHBondContact O-N 2.86Å; Y119-V136 HydrophobicContact CD2-CG2 4.33Å; Y119-V136 HydrophobicContact CE2-CB 4.39Å; Y119-V136 HydrophobicContact CE2-CG1 4.35Å; Y119-V136 HydrophobicContact CE2-CG2 3.87Å; Y119-L139 HydrophobicContact CE2-CD1 4.48Å; Y119-L139 HydrophobicContact CE2-CD2 4Å; Y119-Q140 PolarHBondContact OH-NE2 3.05Å; Y119-G147 WeakPolarHBondContact CE1-O 3.42Å; Y119-V148 HydrophobicContact CD1-CB 4.39Å; Y119-V148 HydrophobicContact CD1-CG1 4.42Å; Y119-V148 HydrophobicContact CD1-CG2 3.99Å; Y119-V148 HydrophobicContact CE1-CG2 4.25Å; Y119-C196 HydrophobicContact CE1-CB 3.66Å; Y119-C196 WeakPolarHBondContact OH-CB 3.45Å; Y119-C196 PolarHBondContact OH-SG 3.34Å |
| 120 | T | 94.4 | Very high | 90.4 | Very high | 43 Ų | 43 | 65 Ų | 65 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 172.1 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | R116 R117 A122 V123 L124 V148 | R116-T120 WeakPolarHBondContact O-CB 3.48Å; R116-T120 PolarHBondContact O-N 3.1Å; R116-T120 PolarHBondContact O-OG1 3.21Å; R117-T120 PolarHBondContact O-N 3.33Å; T120-A122 VanDerWaalsContact C-N 3.32Å; T120-A122 PolarHBondContact O-N 3.33Å; T120-V123 PolarHBondContact O-N 3.39Å; T120-L124 HydrophobicContact CG2-CD1 3.84Å; T120-L124 HydrophobicContact CG2-CG 4.26Å; T120-L124 WeakPolarHBondContact O-CG 3.04Å; T120-L124 PolarHBondContact O-N 3.38Å; T120-V148 HydrophobicContact CG2-CG2 4.42Å |
| 121 | D | 92 | Very high | 89.6 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 178 | -170 | 66.4 | 0 | 0 | 0 | 111.6 | R117 T118 V123 L124 N125 | R117-D121 WeakPolarHBondContact O-CB 3.48Å; R117-D121 PolarHBondContact O-N 3.19Å; T118-D121 PolarHBondContact O-N 2.66Å; D121-V123 PolarHBondContact O-N 2.68Å; D121-L124 PolarHBondContact O-N 3.26Å; D121-N125 VanDerWaalsContact CG-ND2 3.31Å; D121-N125 WeakPolarHBondContact O-CB 3.48Å; D121-N125 PolarHBondContact O-N 2.96Å; D121-N125 PolarHBondContact O-ND2 2.96Å; D121-N125 PolarHBondContact OD1-ND2 3.33Å; D121-N125 PolarHBondContact OD2-ND2 2.68Å |
| 122 | A | 90.8 | Very high | 89.3 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T118 Y119 T120 Y126 A132 V136 | T118-A122 WeakPolarHBondContact O-CB 3.37Å; T118-A122 PolarHBondContact O-N 3.18Å; Y119-A122 PolarHBondContact O-N 3.49Å; T120-A122 VanDerWaalsContact C-N 3.32Å; T120-A122 PolarHBondContact O-N 3.33Å; A122-Y126 WeakPolarHBondContact O-CA 3.41Å; A122-Y126 WeakPolarHBondContact O-CB 3.48Å; A122-Y126 PolarHBondContact O-N 2.9Å; A122-Y126 VanDerWaalsContact O-N 3.17Å; A122-A132 HydrophobicContact CB-CB 4.22Å; A122-V136 HydrophobicContact CB-CG2 3.73Å |
| 123 | V | 94.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.9 | -40.9 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | Y119 T120 D121 Y126 V136 V148 W154 S157 | Y119-V123 HydrophobicContact CD1-CG2 4.3Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.31Å; Y119-V123 WeakPolarHBondContact O-CG2 3.27Å; Y119-V123 PolarHBondContact O-N 2.86Å; T120-V123 PolarHBondContact O-N 3.39Å; D121-V123 PolarHBondContact O-N 2.68Å; V123-Y126 WeakPolarHBondContact O-CB 3.48Å; V123-V136 HydrophobicContact CG2-CG1 4.17Å; V123-V136 HydrophobicContact CG2-CG2 4.28Å; V123-V148 HydrophobicContact CB-CG2 4.32Å; V123-V148 HydrophobicContact CG2-CG2 4.2Å; V123-W154 HydrophobicContact CG1-CD2 4.12Å; V123-W154 HydrophobicContact CG1-CE3 4.13Å; V123-W154 HydrophobicContact CG1-CH2 4.15Å; V123-W154 HydrophobicContact CG1-CZ2 4.23Å; V123-W154 HydrophobicContact CG1-CZ3 4.14Å; V123-S157 VanDerWaalsContact O-CB 3.3Å; V123-S157 WeakPolarHBondContact O-CB 3.48Å |
| 124 | L | 95.1 | Very high | 88.6 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | -178.5 | -70 | 176.8 | 0 | 0 | 0 | 112.5 | T120 D121 S157 V158 | T120-L124 HydrophobicContact CG2-CD1 3.84Å; T120-L124 HydrophobicContact CG2-CG 4.26Å; T120-L124 WeakPolarHBondContact O-CG 3.04Å; T120-L124 PolarHBondContact O-N 3.38Å; D121-L124 PolarHBondContact O-N 3.26Å; L124-S157 WeakPolarHBondContact O-CA 3.47Å; L124-V158 PolarHBondContact O-N 3.41Å |
| 125 | N | 93.8 | Very high | 88.2 | Confident | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 7.3 | 179.8 | -63.1 | -48.5 | 0 | 0 | 0 | 113.7 | D121 N127 | D121-N125 VanDerWaalsContact CG-ND2 3.31Å; D121-N125 WeakPolarHBondContact O-CB 3.48Å; D121-N125 PolarHBondContact O-N 2.96Å; D121-N125 PolarHBondContact O-ND2 2.96Å; D121-N125 PolarHBondContact OD1-ND2 3.33Å; D121-N125 PolarHBondContact OD2-ND2 2.68Å; N125-N127 PolarHBondContact O-N 3.03Å |
| 126 | Y | 92.7 | Very high | 88.3 | Confident | 8 Ų | 8 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -53.2 | 133.9 | -179 | -177.7 | -84.1 | 0 | 0 | 0 | 111.6 | A122 V123 A128 S133 V136 D137 W154 V158 F159 P166 | A122-Y126 WeakPolarHBondContact O-CA 3.41Å; A122-Y126 WeakPolarHBondContact O-CB 3.48Å; A122-Y126 PolarHBondContact O-N 2.9Å; A122-Y126 VanDerWaalsContact O-N 3.17Å; V123-Y126 WeakPolarHBondContact O-CB 3.48Å; Y126-A128 HydrophobicContact CE1-CB 3.75Å; Y126-S133 VanDerWaalsContact CD2-CB 3.47Å; Y126-S133 WeakPolarHBondContact CD2-OG 3.5Å; Y126-S133 VanDerWaalsContact CE2-CB 3.41Å; Y126-S133 WeakPolarHBondContact CE2-O 3.47Å; Y126-V136 HydrophobicContact CD2-CB 4.22Å; Y126-V136 HydrophobicContact CD2-CG1 4.21Å; Y126-V136 HydrophobicContact CE2-CB 4.36Å; Y126-V136 HydrophobicContact CE2-CG1 4.35Å; Y126-D137 VanDerWaalsContact CE2-OD1 3.23Å; Y126-D137 WeakPolarHBondContact CE2-OD1 3.36Å; Y126-D137 VanDerWaalsContact OH-CG 3.26Å; Y126-D137 PolarHBondContact OH-OD1 3.43Å; Y126-D137 PolarHBondContact OH-OD2 3.23Å; Y126-W154 HydrophobicContact CD1-CH2 4.09Å; Y126-W154 AromaticContact CD1-CZ3 3.86Å; Y126-W154 HydrophobicContact CD1-CZ3 3.86Å; Y126-W154 AromaticContact CD2-CH2 3.63Å; Y126-W154 HydrophobicContact CD2-CH2 3.63Å; Y126-W154 HydrophobicContact CD2-CZ3 4.14Å; Y126-W154 HydrophobicContact CE2-CH2 4.11Å; Y126-W154 AromaticContact CG-CH2 3.62Å; Y126-W154 HydrophobicContact CG-CH2 3.62Å; Y126-W154 AromaticContact CG-CZ3 3.62Å; Y126-W154 HydrophobicContact CG-CZ3 3.62Å; Y126-V158 VanDerWaalsContact O-CG2 3.26Å; Y126-V158 WeakPolarHBondContact O-CG2 3.42Å; Y126-F159 HydrophobicContact CD1-CB 3.79Å; Y126-F159 AromaticContact CD1-CD1 3.93Å; Y126-F159 HydrophobicContact CD1-CD1 3.93Å; Y126-F159 AromaticContact CD1-CD2 3.74Å; Y126-F159 HydrophobicContact CD1-CD2 3.74Å; Y126-F159 HydrophobicContact CD1-CE1 4.43Å; Y126-F159 HydrophobicContact CD1-CE2 4.27Å; Y126-F159 AromaticContact CD1-CG 3.55Å; Y126-F159 HydrophobicContact CD1-CG 3.55Å; Y126-F159 AromaticContact CE1-CD1 3.92Å; Y126-F159 HydrophobicContact CE1-CD1 3.92Å; Y126-F159 AromaticContact CE1-CD2 3.84Å; Y126-F159 HydrophobicContact CE1-CD2 3.84Å; Y126-F159 AromaticContact CE1-CE1 3.95Å; Y126-F159 HydrophobicContact CE1-CE1 3.95Å; Y126-F159 AromaticContact CE1-CE2 3.88Å; Y126-F159 HydrophobicContact CE1-CE2 3.88Å; Y126-F159 AromaticContact CE1-CG 3.86Å; Y126-F159 HydrophobicContact CE1-CG 3.86Å; Y126-F159 AromaticContact CE1-CZ 3.94Å; Y126-F159 HydrophobicContact CE1-CZ 3.94Å; Y126-F159 WeakPolarHBondContact O-CB 3.35Å; Y126-P166 HydrophobicContact CD1-CG 4.22Å; Y126-P166 HydrophobicContact CE1-CB 4.24Å; Y126-P166 HydrophobicContact CE1-CG 3.78Å; Y126-P166 HydrophobicContact CE2-CG 4.48Å | ||
| 127 | N | 90.2 | Very high | 88 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 35% | 0.353 | 28% | 0.28 | S | S | . | . | trans | -137.4 | 6.4 | -178.4 | 61.5 | 36.5 | 0 | 0 | 0 | 113.7 | N125 K129 D130 S133 | N125-N127 PolarHBondContact O-N 3.03Å; N127-K129 PolarHBondContact O-N 2.93Å; N127-K129 VanDerWaalsContact O-N 3.08Å; N127-K129 WeakPolarHBondContact OD1-CA 3.27Å; N127-K129 WeakPolarHBondContact OD1-CB 3.49Å; N127-K129 PolarHBondContact OD1-N 2.84Å; N127-D130 PolarHBondContact ND2-OD2 2.97Å; N127-D130 VanDerWaalsContact OD1-CG 3.31Å; N127-D130 PolarHBondContact OD1-N 3.47Å; N127-D130 PolarHBondContact OD1-OD1 3.22Å; N127-S133 PolarHBondContact N-OG 3.38Å; N127-S133 PolarHBondContact OD1-OG 3.45Å | ||
| 128 | A | 87.6 | Confident | 87.7 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 60.6 | 5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y126 S133 F159 | Y126-A128 HydrophobicContact CE1-CB 3.75Å; A128-S133 PolarHBondContact N-OG 3.16Å; A128-F159 HydrophobicContact CB-CE2 3.87Å; A128-F159 HydrophobicContact CB-CZ 4.33Å |
| 129 | K | 83.3 | Confident | 87.7 | Confident | 172 Ų | 172 | 50.3 Ų | 50.3 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -115.1 | -38 | -173.8 | -66 | 176.2 | -175.6 | -179.6 | 0 | 112.6 | N127 | N127-K129 PolarHBondContact O-N 2.93Å; N127-K129 VanDerWaalsContact O-N 3.08Å; N127-K129 WeakPolarHBondContact OD1-CA 3.27Å; N127-K129 WeakPolarHBondContact OD1-CB 3.49Å; N127-K129 PolarHBondContact OD1-N 2.84Å |
| 130 | D | 80 | Confident | 87.7 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -81.6 | 172.8 | -177 | 64.1 | 20.2 | 0 | 0 | 0 | 113.3 | N127 A132 S133 R134 | N127-D130 PolarHBondContact ND2-OD2 2.97Å; N127-D130 VanDerWaalsContact OD1-CG 3.31Å; N127-D130 PolarHBondContact OD1-N 3.47Å; N127-D130 PolarHBondContact OD1-OD1 3.22Å; D130-A132 PolarHBondContact OD1-N 3.46Å; D130-S133 WeakPolarHBondContact OD1-CA 3.5Å; D130-S133 WeakPolarHBondContact OD1-CB 3.24Å; D130-S133 PolarHBondContact OD1-N 3.4Å; D130-S133 PolarHBondContact OD1-OG 2.88Å; D130-R134 PolarHBondContact O-N 3.43Å |
| 131 | E | 73.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 179.9 | -166.2 | 169.8 | 147.6 | 0 | 0 | 113 | L39 S50 T51 S133 R134 A135 | L39-E131 HydrophobicContact CD2-CG 4.15Å; S50-E131 WeakPolarHBondContact CA-OE2 3.37Å; T51-E131 WeakPolarHBondContact CA-OE1 3.23Å; T51-E131 WeakPolarHBondContact CB-OE1 3.22Å; T51-E131 VanDerWaalsContact N-CD 3.29Å; T51-E131 PolarHBondContact N-OE1 3.48Å; T51-E131 PolarHBondContact OG1-OE1 2.8Å; E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 PolarHBondContact O-N 2.88Å; E131-R134 PolarHBondContact O-N 2.72Å; E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 2.87Å |
| 132 | A | 81.3 | Confident | 87.1 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A122 D130 R134 A135 V136 | A122-A132 HydrophobicContact CB-CB 4.22Å; D130-A132 PolarHBondContact OD1-N 3.46Å; A132-R134 PolarHBondContact O-N 3.36Å; A132-A135 PolarHBondContact O-N 2.79Å; A132-V136 WeakPolarHBondContact O-CG2 3.47Å; A132-V136 PolarHBondContact O-N 3.49Å |
| 133 | S | 85.5 | Confident | 87 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | Y126 N127 A128 D130 E131 A135 V136 D137 | Y126-S133 VanDerWaalsContact CD2-CB 3.47Å; Y126-S133 WeakPolarHBondContact CD2-OG 3.5Å; Y126-S133 VanDerWaalsContact CE2-CB 3.41Å; Y126-S133 WeakPolarHBondContact CE2-O 3.47Å; N127-S133 PolarHBondContact N-OG 3.38Å; N127-S133 PolarHBondContact OD1-OG 3.45Å; A128-S133 PolarHBondContact N-OG 3.16Å; D130-S133 WeakPolarHBondContact OD1-CA 3.5Å; D130-S133 WeakPolarHBondContact OD1-CB 3.24Å; D130-S133 PolarHBondContact OD1-N 3.4Å; D130-S133 PolarHBondContact OD1-OG 2.88Å; E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 PolarHBondContact O-N 2.88Å; S133-A135 PolarHBondContact O-N 2.91Å; S133-V136 WeakPolarHBondContact O-CB 3.1Å; S133-V136 PolarHBondContact O-N 2.94Å; S133-D137 PolarHBondContact O-N 2.76Å |
| 134 | R | 81.3 | Confident | 87 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 177.3 | -70.1 | -176.8 | -70.7 | 164.8 | 0.7 | 112.9 | L39 D130 E131 A132 V136 D137 Y138 | L39-R134 PolarHBondContact O-NH1 3.21Å; D130-R134 PolarHBondContact O-N 3.43Å; E131-R134 PolarHBondContact O-N 2.72Å; A132-R134 PolarHBondContact O-N 3.36Å; R134-V136 VanDerWaalsContact C-N 3.31Å; R134-D137 PolarHBondContact O-N 3.49Å; R134-Y138 WeakPolarHBondContact O-CB 3.27Å; R134-Y138 PolarHBondContact O-N 3.08Å |
| 135 | A | 82.2 | Confident | 87 | Confident | 43 Ų | 43 | 58 Ų | 58 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E131 A132 S133 L139 | E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 2.87Å; A132-A135 PolarHBondContact O-N 2.79Å; S133-A135 PolarHBondContact O-N 2.91Å; A135-L139 WeakPolarHBondContact O-CB 3.33Å; A135-L139 PolarHBondContact O-N 3.41Å |
| 136 | V | 89.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 171.7 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | Y119 A122 V123 Y126 A132 S133 R134 Y138 L139 Q140 W154 | Y119-V136 HydrophobicContact CD2-CG2 4.33Å; Y119-V136 HydrophobicContact CE2-CB 4.39Å; Y119-V136 HydrophobicContact CE2-CG1 4.35Å; Y119-V136 HydrophobicContact CE2-CG2 3.87Å; A122-V136 HydrophobicContact CB-CG2 3.73Å; V123-V136 HydrophobicContact CG2-CG1 4.17Å; V123-V136 HydrophobicContact CG2-CG2 4.28Å; Y126-V136 HydrophobicContact CD2-CB 4.22Å; Y126-V136 HydrophobicContact CD2-CG1 4.21Å; Y126-V136 HydrophobicContact CE2-CB 4.36Å; Y126-V136 HydrophobicContact CE2-CG1 4.35Å; A132-V136 WeakPolarHBondContact O-CG2 3.47Å; A132-V136 PolarHBondContact O-N 3.49Å; S133-V136 WeakPolarHBondContact O-CB 3.1Å; S133-V136 PolarHBondContact O-N 2.94Å; R134-V136 VanDerWaalsContact C-N 3.31Å; V136-Y138 PolarHBondContact O-N 3.47Å; V136-L139 PolarHBondContact O-N 2.99Å; V136-Q140 HydrophobicContact CG1-CG 4.35Å; V136-Q140 WeakPolarHBondContact O-CB 3.23Å; V136-Q140 VanDerWaalsContact O-CG 3.27Å; V136-Q140 WeakPolarHBondContact O-CG 3.38Å; V136-Q140 PolarHBondContact O-N 2.59Å; V136-W154 HydrophobicContact CG1-CH2 4.02Å; V136-W154 HydrophobicContact CG1-CZ2 3.98Å |
| 137 | D | 89.4 | Confident | 87.2 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | -179 | -66 | -20.7 | 0 | 0 | 0 | 112.4 | Y126 S133 R134 Q140 N141 S168 | Y126-D137 VanDerWaalsContact CE2-OD1 3.23Å; Y126-D137 WeakPolarHBondContact CE2-OD1 3.36Å; Y126-D137 VanDerWaalsContact OH-CG 3.26Å; Y126-D137 PolarHBondContact OH-OD1 3.43Å; Y126-D137 PolarHBondContact OH-OD2 3.23Å; S133-D137 PolarHBondContact O-N 2.76Å; R134-D137 PolarHBondContact O-N 3.49Å; D137-Q140 PolarHBondContact O-N 2.94Å; D137-N141 WeakPolarHBondContact O-CB 3.37Å; D137-N141 PolarHBondContact O-N 3.34Å; D137-N141 PolarHBondContact O-ND2 3.18Å; D137-S168 PolarHBondContact OD1-OG 3.27Å; D137-S168 VanDerWaalsContact OD1-OG 3.05Å |
| 138 | Y | 84.8 | Confident | 87.4 | Confident | 167 Ų | 167 | 50.8 Ų | 50.8 | 66% | 0.655 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 177.1 | 177.7 | -94.8 | 0 | 0 | 0 | 111.2 | R134 V136 S142 | R134-Y138 WeakPolarHBondContact O-CB 3.27Å; R134-Y138 PolarHBondContact O-N 3.08Å; V136-Y138 PolarHBondContact O-N 3.47Å; Y138-S142 WeakPolarHBondContact CE1-OG 3.21Å; Y138-S142 WeakPolarHBondContact O-CB 3.41Å; Y138-S142 PolarHBondContact O-N 3.46Å; Y138-S142 PolarHBondContact O-OG 3.48Å |
| 139 | L | 87.8 | Confident | 87.8 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | -179.4 | -170 | 144.5 | 0 | 0 | 0 | 110.9 | F115 Y119 A135 V136 S142 L143 C196 | F115-L139 HydrophobicContact CE2-CD1 4.3Å; F115-L139 HydrophobicContact CZ-CD1 4.05Å; Y119-L139 HydrophobicContact CE2-CD1 4.48Å; Y119-L139 HydrophobicContact CE2-CD2 4Å; A135-L139 WeakPolarHBondContact O-CB 3.33Å; A135-L139 PolarHBondContact O-N 3.41Å; V136-L139 PolarHBondContact O-N 2.99Å; L139-S142 PolarHBondContact O-N 2.91Å; L139-L143 HydrophobicContact CD2-CD1 3.93Å; L139-L143 HydrophobicContact CG-CD1 3.91Å; L139-L143 VanDerWaalsContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CB 3.16Å; L139-L143 PolarHBondContact O-N 3.27Å; L139-C196 HydrophobicContact CD2-CB 3.46Å; L139-C196 VanDerWaalsContact CD2-CB 3.46Å |
| 140 | Q | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 177.5 | -73.2 | 179.2 | -5.5 | 0 | 0 | 112.6 | Y119 V136 D137 R144 C145 W154 S168 C169 | Y119-Q140 PolarHBondContact OH-NE2 3.05Å; V136-Q140 HydrophobicContact CG1-CG 4.35Å; V136-Q140 WeakPolarHBondContact O-CB 3.23Å; V136-Q140 VanDerWaalsContact O-CG 3.27Å; V136-Q140 WeakPolarHBondContact O-CG 3.38Å; V136-Q140 PolarHBondContact O-N 2.59Å; D137-Q140 PolarHBondContact O-N 2.94Å; Q140-R144 WeakPolarHBondContact O-CA 3.29Å; Q140-R144 PolarHBondContact O-N 2.96Å; Q140-C145 WeakPolarHBondContact CB-O 3.37Å; Q140-C145 WeakPolarHBondContact CG-O 3.4Å; Q140-C145 PolarHBondContact O-N 2.81Å; Q140-W154 VanDerWaalsContact NE2-CZ2 3.34Å; Q140-S168 PolarHBondContact OE1-OG 3.45Å; Q140-C169 VanDerWaalsContact CD-SG 3.59Å; Q140-C169 PolarHBondContact OE1-SG 2.9Å |
| 141 | N | 88.4 | Confident | 89 | Confident | 89 Ų | 89 | 46.5 Ų | 46.5 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.8 | -79.2 | -46.6 | 0 | 0 | 0 | 112.5 | D137 S168 | D137-N141 WeakPolarHBondContact O-CB 3.37Å; D137-N141 PolarHBondContact O-N 3.34Å; D137-N141 PolarHBondContact O-ND2 3.18Å; N141-S168 PolarHBondContact OD1-O 3.46Å |
| 142 | S | 85.4 | Confident | 90 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 44% | 0.441 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -39.9 | -175.8 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | Y138 L139 | Y138-S142 WeakPolarHBondContact CE1-OG 3.21Å; Y138-S142 WeakPolarHBondContact O-CB 3.41Å; Y138-S142 PolarHBondContact O-N 3.46Å; Y138-S142 PolarHBondContact O-OG 3.48Å; L139-S142 PolarHBondContact O-N 2.91Å |
| 143 | L | 89 | Confident | 90.7 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -97 | -5.6 | -177.6 | -59.7 | -178.2 | 0 | 0 | 0 | 113.1 | L139 L199 V200 | L139-L143 HydrophobicContact CD2-CD1 3.93Å; L139-L143 HydrophobicContact CG-CD1 3.91Å; L139-L143 VanDerWaalsContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CB 3.16Å; L139-L143 PolarHBondContact O-N 3.27Å; L143-L199 HydrophobicContact CB-CD2 3.88Å; L143-L199 WeakPolarHBondContact O-CD2 3.36Å; L143-V200 HydrophobicContact CD1-CG2 3.45Å; L143-V200 VanDerWaalsContact CD1-CG2 3.45Å |
| 144 | R | 92.9 | Very high | 91.2 | Very high | 174 Ų | 174 | 48.8 Ų | 48.8 | 66% | 0.657 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 52.5 | -178.5 | -60.5 | -177.4 | 176.9 | 174.3 | -1.8 | 112.1 | Q140 Y192 | Q140-R144 WeakPolarHBondContact O-CA 3.29Å; Q140-R144 PolarHBondContact O-N 2.96Å; R144-Y192 VanDerWaalsContact C-CD2 3.47Å; R144-Y192 VanDerWaalsContact C-CG 3.49Å; R144-Y192 HydrophobicContact CB-CD1 4.18Å; R144-Y192 HydrophobicContact CB-CD2 4.46Å; R144-Y192 HydrophobicContact CB-CE1 3.69Å; R144-Y192 HydrophobicContact CB-CE2 3.98Å; R144-Y192 HydrophobicContact CG-CE1 4.31Å; R144-Y192 HydrophobicContact CG-CE2 4.42Å; R144-Y192 WeakPolarHBondContact O-CD1 3.33Å; R144-Y192 VanDerWaalsContact O-CG 3.29Å |
| 145 | C | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -132.1 | 164.6 | -177.3 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | Q140 Q194 C196 L199 | Q140-C145 WeakPolarHBondContact CB-O 3.37Å; Q140-C145 WeakPolarHBondContact CG-O 3.4Å; Q140-C145 PolarHBondContact O-N 2.81Å; C145-Q194 CarbonylContact C-O 3.52Å; C145-Q194 VanDerWaalsContact CA-O 3.28Å; C145-Q194 WeakPolarHBondContact CA-O 3.4Å; C145-Q194 VanDerWaalsContact CB-O 3.28Å; C145-Q194 WeakPolarHBondContact CB-O 3.31Å; C145-C196 HydrophobicContact CB-CB 3.93Å; C145-C196 WeakPolarHBondContact CB-SG 3.32Å; C145-C196 WeakPolarHBondContact SG-CA 3.25Å; C145-C196 WeakPolarHBondContact SG-CB 3.41Å; C145-C196 CovalentContact SG-SG 2.03Å; C145-C196 PolarHBondContact SG-SG 3.38Å; C145-L199 HydrophobicContact CB-CD2 4Å | ||
| 146 | C | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -140 | 132.6 | 178.4 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | N150 Y151 W154 C169 Y192 Q194 | C146-N150 CarbonylContact O-C 3.35Å; C146-Y151 PolarHBondContact O-N 3.44Å; C146-W154 VanDerWaalsContact SG-CD1 3.52Å; C146-W154 PolarHBondContact SG-NE1 2.72Å; C146-C169 WeakPolarHBondContact CA-SG 2.94Å; C146-C169 HydrophobicContact CB-CB 3.68Å; C146-C169 WeakPolarHBondContact CB-SG 3.05Å; C146-C169 WeakPolarHBondContact SG-CB 3.43Å; C146-C169 CovalentContact SG-SG 2.03Å; C146-C169 PolarHBondContact SG-SG 3.42Å; C146-Y192 WeakPolarHBondContact CB-O 3.4Å; C146-Q194 PolarHBondContact N-O 3.25Å | ||
| 147 | G | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 64.7 | -171.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y119 C196 | Y119-G147 WeakPolarHBondContact CE1-O 3.42Å; G147-C196 WeakPolarHBondContact O-CB 3.31Å; G147-C196 PolarHBondContact O-N 2.98Å |
| 148 | V | 95.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -75.2 | -61.5 | -177.2 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | R116 Y119 T120 V123 N153 G195 C196 F197 | R116-V148 HydrophobicContact CG-CG1 4.46Å; Y119-V148 HydrophobicContact CD1-CB 4.39Å; Y119-V148 HydrophobicContact CD1-CG1 4.42Å; Y119-V148 HydrophobicContact CD1-CG2 3.99Å; Y119-V148 HydrophobicContact CE1-CG2 4.25Å; T120-V148 HydrophobicContact CG2-CG2 4.42Å; V123-V148 HydrophobicContact CB-CG2 4.32Å; V123-V148 HydrophobicContact CG2-CG2 4.2Å; V148-N153 PolarHBondContact N-OD1 2.88Å; V148-G195 CarbonylContact O-C 3.37Å; V148-G195 WeakPolarHBondContact O-CA 3.36Å; V148-C196 PolarHBondContact O-N 3.09Å; V148-F197 HydrophobicContact CG1-CB 3.84Å; V148-F197 VanDerWaalsContact O-CB 3.25Å; V148-F197 WeakPolarHBondContact O-CB 3.3Å; V148-F197 PolarHBondContact O-N 3.49Å |
| 149 | Y | 95.3 | Very high | 93.3 | Very high | 108 Ų | 108 | 47.3 Ų | 47.3 | 42% | 0.424 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -106.6 | -30.3 | 178 | -61.4 | -74.5 | 0 | 0 | 0 | 111.9 | R116 N153 G195 F197 | R116-Y149 WeakPolarHBondContact CD-OH 3.4Å; R116-Y149 PolarHBondContact NH1-OH 3.01Å; Y149-N153 PolarHBondContact N-OD1 3.05Å; Y149-G195 WeakPolarHBondContact O-CA 3.44Å; Y149-G195 PolarHBondContact O-N 3.47Å; Y149-G195 VanDerWaalsContact O-N 3.12Å; Y149-F197 HydrophobicContact CD1-CD1 4.11Å; Y149-F197 AromaticContact CE1-CD1 3.54Å; Y149-F197 HydrophobicContact CE1-CD1 3.54Å; Y149-F197 HydrophobicContact CE1-CE1 4Å |
| 150 | N | 95.1 | Very high | 93.6 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -163.5 | 170.8 | 176.2 | -165.6 | -1.4 | 0 | 0 | 0 | 109.7 | C146 T152 N153 H193 | C146-N150 CarbonylContact O-C 3.35Å; N150-T152 PolarHBondContact O-N 2.86Å; N150-T152 VanDerWaalsContact O-N 3.12Å; N150-N153 PolarHBondContact N-OD1 2.87Å; N150-N153 WeakPolarHBondContact O-CB 3.33Å; N150-N153 PolarHBondContact O-N 3.4Å; N150-N153 VanDerWaalsContact O-N 3.15Å; N150-N153 PolarHBondContact O-OD1 3.28Å; N150-H193 PolarHBondContact OD1-O 3.11Å |
| 151 | Y | 93.6 | Very high | 93.5 | Very high | 34 Ų | 34 | 52 Ų | 52 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -55.2 | -28.7 | 175.8 | 74.9 | -99.1 | 0 | 0 | 0 | 113.3 | C146 N153 W154 F155 I165 P188 V191 H193 | C146-Y151 PolarHBondContact O-N 3.44Å; Y151-N153 PolarHBondContact O-N 3.48Å; Y151-N153 VanDerWaalsContact O-N 3.12Å; Y151-W154 WeakPolarHBondContact O-CB 3.26Å; Y151-W154 VanDerWaalsContact O-CD1 3.31Å; Y151-W154 PolarHBondContact O-N 3.47Å; Y151-F155 HydrophobicContact CD2-CZ 4.17Å; Y151-F155 HydrophobicContact CE2-CE2 4.3Å; Y151-F155 AromaticContact CE2-CZ 3.86Å; Y151-F155 HydrophobicContact CE2-CZ 3.86Å; Y151-I165 HydrophobicContact CD2-CD1 3.8Å; Y151-I165 HydrophobicContact CG-CD1 4.37Å; Y151-P188 HydrophobicContact CE1-CB 4.09Å; Y151-P188 HydrophobicContact CE1-CG 4.47Å; Y151-P188 HydrophobicContact CE2-CB 4.31Å; Y151-P188 HydrophobicContact CE2-CG 3.85Å; Y151-P188 WeakPolarHBondContact OH-CG 3.02Å; Y151-V191 HydrophobicContact CD1-CG2 4.05Å; Y151-V191 HydrophobicContact CD2-CG2 4.38Å; Y151-V191 HydrophobicContact CG-CG2 3.76Å; Y151-H193 AromaticContact CD1-ND1 3.82Å; Y151-H193 AromaticContact CE1-CE1 3.7Å; Y151-H193 AromaticContact CE1-ND1 3.49Å; Y151-H193 WeakPolarHBondContact CE1-ND1 3.4Å |
| 152 | T | 94.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 52 Ų | 52 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -63 | -20.1 | -179.3 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | N150 W154 F155 | N150-T152 PolarHBondContact O-N 2.86Å; N150-T152 VanDerWaalsContact O-N 3.12Å; T152-W154 PolarHBondContact O-N 2.97Å; T152-F155 HydrophobicContact CG2-CD2 4.41Å; T152-F155 HydrophobicContact CG2-CE2 3.95Å; T152-F155 WeakPolarHBondContact O-CB 3.49Å; T152-F155 WeakPolarHBondContact O-CG 3.36Å; T152-F155 PolarHBondContact O-N 2.88Å; T152-F155 VanDerWaalsContact O-N 3.08Å |
| 153 | N | 94.6 | Very high | 93.9 | Very high | 50 Ų | 50 | 53 Ų | 53 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -61 | -25.3 | 173.9 | -66.9 | 131.8 | 0 | 0 | 0 | 112.5 | V148 Y149 N150 Y151 F155 G156 | V148-N153 PolarHBondContact N-OD1 2.88Å; Y149-N153 PolarHBondContact N-OD1 3.05Å; N150-N153 PolarHBondContact N-OD1 2.87Å; N150-N153 WeakPolarHBondContact O-CB 3.33Å; N150-N153 PolarHBondContact O-N 3.4Å; N150-N153 VanDerWaalsContact O-N 3.15Å; N150-N153 PolarHBondContact O-OD1 3.28Å; Y151-N153 PolarHBondContact O-N 3.48Å; Y151-N153 VanDerWaalsContact O-N 3.12Å; N153-F155 PolarHBondContact O-N 3.17Å; N153-G156 PolarHBondContact O-N 2.87Å |
| 154 | W | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -64.2 | -28.2 | 175.3 | -73.9 | 110.1 | 0 | 0 | 0 | 113.2 | V123 Y126 V136 Q140 C146 Y151 T152 G156 S157 Y160 I165 P166 C169 | V123-W154 HydrophobicContact CG1-CD2 4.12Å; V123-W154 HydrophobicContact CG1-CE3 4.13Å; V123-W154 HydrophobicContact CG1-CH2 4.15Å; V123-W154 HydrophobicContact CG1-CZ2 4.23Å; V123-W154 HydrophobicContact CG1-CZ3 4.14Å; Y126-W154 HydrophobicContact CD1-CH2 4.09Å; Y126-W154 AromaticContact CD1-CZ3 3.86Å; Y126-W154 HydrophobicContact CD1-CZ3 3.86Å; Y126-W154 AromaticContact CD2-CH2 3.63Å; Y126-W154 HydrophobicContact CD2-CH2 3.63Å; Y126-W154 HydrophobicContact CD2-CZ3 4.14Å; Y126-W154 HydrophobicContact CE2-CH2 4.11Å; Y126-W154 AromaticContact CG-CH2 3.62Å; Y126-W154 HydrophobicContact CG-CH2 3.62Å; Y126-W154 AromaticContact CG-CZ3 3.62Å; Y126-W154 HydrophobicContact CG-CZ3 3.62Å; V136-W154 HydrophobicContact CG1-CH2 4.02Å; V136-W154 HydrophobicContact CG1-CZ2 3.98Å; Q140-W154 VanDerWaalsContact NE2-CZ2 3.34Å; C146-W154 VanDerWaalsContact SG-CD1 3.52Å; C146-W154 PolarHBondContact SG-NE1 2.72Å; Y151-W154 WeakPolarHBondContact O-CB 3.26Å; Y151-W154 VanDerWaalsContact O-CD1 3.31Å; Y151-W154 PolarHBondContact O-N 3.47Å; T152-W154 PolarHBondContact O-N 2.97Å; W154-G156 PolarHBondContact O-N 3.21Å; W154-G156 VanDerWaalsContact O-N 3.12Å; W154-S157 WeakPolarHBondContact O-CB 3.17Å; W154-S157 PolarHBondContact O-N 3.23Å; W154-S157 PolarHBondContact O-OG 2.98Å; W154-Y160 HydrophobicContact CB-CD2 4.41Å; W154-Y160 WeakPolarHBondContact O-CB 3.49Å; W154-I165 HydrophobicContact CB-CG1 4Å; W154-I165 HydrophobicContact CG-CG1 4.39Å; W154-I165 HydrophobicContact CG-CG2 4.04Å; W154-P166 HydrophobicContact CD2-CG 4.07Å; W154-P166 HydrophobicContact CE3-CG 3.85Å; W154-P166 HydrophobicContact CH2-CB 4.5Å; W154-P166 HydrophobicContact CH2-CG 3.29Å; W154-P166 HydrophobicContact CZ2-CB 4.43Å; W154-P166 HydrophobicContact CZ2-CG 3.43Å; W154-P166 VanDerWaalsContact CZ2-CG 3.43Å; W154-P166 HydrophobicContact CZ3-CG 3.47Å; W154-P166 VanDerWaalsContact CZ3-CG 3.47Å; W154-C169 PolarHBondContact NE1-SG 3.5Å |
| 155 | F | 94.4 | Very high | 94.1 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -62.3 | -23.3 | -179.8 | -57.4 | -21.3 | 0 | 0 | 0 | 113.3 | Y151 T152 N153 Y160 I165 A184 | Y151-F155 HydrophobicContact CD2-CZ 4.17Å; Y151-F155 HydrophobicContact CE2-CE2 4.3Å; Y151-F155 AromaticContact CE2-CZ 3.86Å; Y151-F155 HydrophobicContact CE2-CZ 3.86Å; T152-F155 HydrophobicContact CG2-CD2 4.41Å; T152-F155 HydrophobicContact CG2-CE2 3.95Å; T152-F155 WeakPolarHBondContact O-CB 3.49Å; T152-F155 WeakPolarHBondContact O-CG 3.36Å; T152-F155 PolarHBondContact O-N 2.88Å; T152-F155 VanDerWaalsContact O-N 3.08Å; N153-F155 PolarHBondContact O-N 3.17Å; F155-Y160 HydrophobicContact CD1-CD1 4.19Å; F155-Y160 AromaticContact CD1-CD2 3.73Å; F155-Y160 HydrophobicContact CD1-CD2 3.73Å; F155-Y160 AromaticContact CD1-CE1 3.76Å; F155-Y160 HydrophobicContact CD1-CE1 3.76Å; F155-Y160 AromaticContact CD1-CE2 3.27Å; F155-Y160 HydrophobicContact CD1-CE2 3.27Å; F155-Y160 HydrophobicContact CD1-CG 4.18Å; F155-Y160 AromaticContact CD1-CZ 3.27Å; F155-Y160 HydrophobicContact CE1-CD2 4.23Å; F155-Y160 HydrophobicContact CE1-CE1 4.36Å; F155-Y160 AromaticContact CE1-CE2 3.39Å; F155-Y160 HydrophobicContact CE1-CE2 3.39Å; F155-Y160 AromaticContact CE1-CZ 3.46Å; F155-Y160 VanDerWaalsContact CE1-CZ 3.46Å; F155-Y160 WeakPolarHBondContact CE1-OH 3.5Å; F155-Y160 HydrophobicContact CG-CE1 4.47Å; F155-I165 HydrophobicContact CE1-CD1 4.27Å; F155-A184 HydrophobicContact CZ-CB 4.23Å |
| 156 | G | 93.6 | Very high | 94 | Very high | 59 Ų | 59 | 41.6 Ų | 41.6 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -93.4 | -1.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N153 W154 | N153-G156 PolarHBondContact O-N 2.87Å; W154-G156 PolarHBondContact O-N 3.21Å; W154-G156 VanDerWaalsContact O-N 3.12Å |
| 157 | S | 95.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -79.7 | 154.8 | -180 | 72.7 | 0 | 0 | 0 | 0 | 112.1 | V123 L124 W154 F159 Y160 P161 | V123-S157 VanDerWaalsContact O-CB 3.3Å; V123-S157 WeakPolarHBondContact O-CB 3.48Å; L124-S157 WeakPolarHBondContact O-CA 3.47Å; W154-S157 WeakPolarHBondContact O-CB 3.17Å; W154-S157 PolarHBondContact O-N 3.23Å; W154-S157 PolarHBondContact O-OG 2.98Å; S157-F159 PolarHBondContact O-N 3.19Å; S157-Y160 PolarHBondContact OG-N 3.1Å; S157-P161 WeakPolarHBondContact O-CD 3.25Å |
| 158 | V | 95 | Very high | 93.6 | Very high | 96 Ų | 96 | 45.2 Ų | 45.2 | 58% | 0.582 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -66 | -19.8 | 173.8 | -59.2 | 0 | 0 | 0 | 0 | 113 | L124 Y126 | L124-V158 PolarHBondContact O-N 3.41Å; Y126-V158 VanDerWaalsContact O-CG2 3.26Å; Y126-V158 WeakPolarHBondContact O-CG2 3.42Å |
| 159 | F | 93.6 | Very high | 93.5 | Very high | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -79.7 | -37.8 | -177.7 | -170.1 | -109 | 0 | 0 | 0 | 113.5 | Y126 A128 S157 S162 N163 G164 P166 | Y126-F159 HydrophobicContact CD1-CB 3.79Å; Y126-F159 AromaticContact CD1-CD1 3.93Å; Y126-F159 HydrophobicContact CD1-CD1 3.93Å; Y126-F159 AromaticContact CD1-CD2 3.74Å; Y126-F159 HydrophobicContact CD1-CD2 3.74Å; Y126-F159 HydrophobicContact CD1-CE1 4.43Å; Y126-F159 HydrophobicContact CD1-CE2 4.27Å; Y126-F159 AromaticContact CD1-CG 3.55Å; Y126-F159 HydrophobicContact CD1-CG 3.55Å; Y126-F159 AromaticContact CE1-CD1 3.92Å; Y126-F159 HydrophobicContact CE1-CD1 3.92Å; Y126-F159 AromaticContact CE1-CD2 3.84Å; Y126-F159 HydrophobicContact CE1-CD2 3.84Å; Y126-F159 AromaticContact CE1-CE1 3.95Å; Y126-F159 HydrophobicContact CE1-CE1 3.95Å; Y126-F159 AromaticContact CE1-CE2 3.88Å; Y126-F159 HydrophobicContact CE1-CE2 3.88Å; Y126-F159 AromaticContact CE1-CG 3.86Å; Y126-F159 HydrophobicContact CE1-CG 3.86Å; Y126-F159 AromaticContact CE1-CZ 3.94Å; Y126-F159 HydrophobicContact CE1-CZ 3.94Å; Y126-F159 WeakPolarHBondContact O-CB 3.35Å; A128-F159 HydrophobicContact CB-CE2 3.87Å; A128-F159 HydrophobicContact CB-CZ 4.33Å; S157-F159 PolarHBondContact O-N 3.19Å; F159-S162 PolarHBondContact O-N 2.91Å; F159-N163 HydrophobicContact CD1-CB 3.9Å; F159-N163 HydrophobicContact CD2-CB 4.25Å; F159-N163 WeakPolarHBondContact CD2-ND2 3.43Å; F159-N163 HydrophobicContact CE1-CB 3.38Å; F159-N163 HydrophobicContact CE2-CB 3.78Å; F159-N163 VanDerWaalsContact CE2-ND2 3.25Å; F159-N163 WeakPolarHBondContact CE2-ND2 3.32Å; F159-N163 HydrophobicContact CG-CB 4.3Å; F159-N163 HydrophobicContact CZ-CB 3.31Å; F159-N163 PolarHBondContact O-N 2.96Å; F159-G164 WeakPolarHBondContact CD1-O 3.44Å; F159-P166 HydrophobicContact CD1-CG 3.93Å; F159-P166 HydrophobicContact CE1-CB 4.29Å; F159-P166 HydrophobicContact CE1-CG 3.91Å |
| 160 | Y | 94.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 14% | 0.137 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | -168.7 | 179.5 | -92.4 | 0 | 0 | 0 | 115.3 | W154 F155 S157 S162 N163 G164 I165 R182 | W154-Y160 HydrophobicContact CB-CD2 4.41Å; W154-Y160 WeakPolarHBondContact O-CB 3.49Å; F155-Y160 HydrophobicContact CD1-CD1 4.19Å; F155-Y160 AromaticContact CD1-CD2 3.73Å; F155-Y160 HydrophobicContact CD1-CD2 3.73Å; F155-Y160 AromaticContact CD1-CE1 3.76Å; F155-Y160 HydrophobicContact CD1-CE1 3.76Å; F155-Y160 AromaticContact CD1-CE2 3.27Å; F155-Y160 HydrophobicContact CD1-CE2 3.27Å; F155-Y160 HydrophobicContact CD1-CG 4.18Å; F155-Y160 AromaticContact CD1-CZ 3.27Å; F155-Y160 HydrophobicContact CE1-CD2 4.23Å; F155-Y160 HydrophobicContact CE1-CE1 4.36Å; F155-Y160 AromaticContact CE1-CE2 3.39Å; F155-Y160 HydrophobicContact CE1-CE2 3.39Å; F155-Y160 AromaticContact CE1-CZ 3.46Å; F155-Y160 VanDerWaalsContact CE1-CZ 3.46Å; F155-Y160 WeakPolarHBondContact CE1-OH 3.5Å; F155-Y160 HydrophobicContact CG-CE1 4.47Å; S157-Y160 PolarHBondContact OG-N 3.1Å; Y160-S162 PolarHBondContact O-N 3.44Å; Y160-S162 VanDerWaalsContact O-N 3.11Å; Y160-N163 PolarHBondContact O-N 3.33Å; Y160-G164 WeakPolarHBondContact CA-O 3.25Å; Y160-G164 VanDerWaalsContact CD2-C 3.44Å; Y160-G164 WeakPolarHBondContact O-CA 3.35Å; Y160-G164 PolarHBondContact O-N 3.43Å; Y160-I165 HydrophobicContact CD2-CG1 4.11Å; Y160-I165 HydrophobicContact CE2-CG1 3.98Å; Y160-R182 PolarHBondContact OH-O 2.7Å |
| 161 | P | 91.8 | Very high | 93.1 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 62% | 0.623 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.5 | -30.1 | -178.6 | -26.3 | 35.3 | 0 | 0 | 0 | 114.1 | S157 | S157-P161 WeakPolarHBondContact O-CD 3.25Å |
| 162 | S | 90.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 44.2 Ų | 44.2 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -95.3 | -39.4 | -178.3 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | F159 Y160 | F159-S162 PolarHBondContact O-N 2.91Å; Y160-S162 PolarHBondContact O-N 3.44Å; Y160-S162 VanDerWaalsContact O-N 3.11Å |
| 163 | N | 90.3 | Very high | 91.9 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -124.4 | -7.4 | -166.6 | -57.8 | -71.2 | 0 | 0 | 0 | 114.5 | F159 Y160 | F159-N163 HydrophobicContact CD1-CB 3.9Å; F159-N163 HydrophobicContact CD2-CB 4.25Å; F159-N163 WeakPolarHBondContact CD2-ND2 3.43Å; F159-N163 HydrophobicContact CE1-CB 3.38Å; F159-N163 HydrophobicContact CE2-CB 3.78Å; F159-N163 VanDerWaalsContact CE2-ND2 3.25Å; F159-N163 WeakPolarHBondContact CE2-ND2 3.32Å; F159-N163 HydrophobicContact CG-CB 4.3Å; F159-N163 HydrophobicContact CZ-CB 3.31Å; F159-N163 PolarHBondContact O-N 2.96Å; Y160-N163 PolarHBondContact O-N 3.33Å |
| 164 | G | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | 74.6 | -155.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F159 Y160 L181 | F159-G164 WeakPolarHBondContact CD1-O 3.44Å; Y160-G164 WeakPolarHBondContact CA-O 3.25Å; Y160-G164 VanDerWaalsContact CD2-C 3.44Å; Y160-G164 WeakPolarHBondContact O-CA 3.35Å; Y160-G164 PolarHBondContact O-N 3.43Å; G164-L181 WeakPolarHBondContact CA-O 3.2Å | ||
| 165 | I | 94.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -73.2 | 139.3 | 175.3 | -56.3 | -178.3 | 0 | 0 | 0 | 109.3 | Y151 W154 F155 Y160 C169 L181 A187 V191 | Y151-I165 HydrophobicContact CD2-CD1 3.8Å; Y151-I165 HydrophobicContact CG-CD1 4.37Å; W154-I165 HydrophobicContact CB-CG1 4Å; W154-I165 HydrophobicContact CG-CG1 4.39Å; W154-I165 HydrophobicContact CG-CG2 4.04Å; F155-I165 HydrophobicContact CE1-CD1 4.27Å; Y160-I165 HydrophobicContact CD2-CG1 4.11Å; Y160-I165 HydrophobicContact CE2-CG1 3.98Å; I165-C169 HydrophobicContact CG2-CB 3.72Å; I165-L181 HydrophobicContact CB-CB 4.49Å; I165-L181 HydrophobicContact CB-CD2 4.04Å; I165-L181 HydrophobicContact CG2-CD2 4.46Å; I165-L181 PolarHBondContact N-O 3.47Å; I165-L181 WeakPolarHBondContact O-CB 3.23Å; I165-L181 WeakPolarHBondContact O-CD1 3.39Å; I165-A187 HydrophobicContact CD1-CB 3.95Å; I165-V191 HydrophobicContact CD1-CG1 4.42Å; I165-V191 HydrophobicContact CD1-CG2 4.39Å; I165-V191 HydrophobicContact CG2-CG1 4.1Å |
| 166 | P | 93.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | trans | -66.4 | 152 | 179.9 | -20.9 | 33.4 | 0 | 0 | 0 | 113.5 | Y126 W154 F159 S168 C169 | Y126-P166 HydrophobicContact CD1-CG 4.22Å; Y126-P166 HydrophobicContact CE1-CB 4.24Å; Y126-P166 HydrophobicContact CE1-CG 3.78Å; Y126-P166 HydrophobicContact CE2-CG 4.48Å; W154-P166 HydrophobicContact CD2-CG 4.07Å; W154-P166 HydrophobicContact CE3-CG 3.85Å; W154-P166 HydrophobicContact CH2-CB 4.5Å; W154-P166 HydrophobicContact CH2-CG 3.29Å; W154-P166 HydrophobicContact CZ2-CB 4.43Å; W154-P166 HydrophobicContact CZ2-CG 3.43Å; W154-P166 VanDerWaalsContact CZ2-CG 3.43Å; W154-P166 HydrophobicContact CZ3-CG 3.47Å; W154-P166 VanDerWaalsContact CZ3-CG 3.47Å; F159-P166 HydrophobicContact CD1-CG 3.93Å; F159-P166 HydrophobicContact CE1-CB 4.29Å; F159-P166 HydrophobicContact CE1-CG 3.91Å; P166-S168 PolarHBondContact O-N 2.99Å; P166-S168 VanDerWaalsContact O-N 3.16Å; P166-C169 WeakPolarHBondContact O-CB 3.44Å; P166-C169 PolarHBondContact O-N 3.34Å; P166-C169 VanDerWaalsContact O-N 3.08Å | ||
| 167 | A | 91.6 | Very high | 89.9 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 56% | 0.562 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -64.3 | -20.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | C169 C170 | A167-C169 PolarHBondContact O-N 3.14Å; A167-C170 VanDerWaalsContact CA-SG 3.59Å; A167-C170 VanDerWaalsContact O-CB 3.25Å; A167-C170 WeakPolarHBondContact O-CB 3.34Å; A167-C170 PolarHBondContact O-N 3.45Å; A167-C170 VanDerWaalsContact O-N 3.11Å; A167-C170 PolarHBondContact O-SG 2.87Å |
| 168 | S | 90.9 | Very high | 89.5 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -62.2 | -20 | 172.7 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | D137 Q140 N141 P166 C170 | D137-S168 PolarHBondContact OD1-OG 3.27Å; D137-S168 VanDerWaalsContact OD1-OG 3.05Å; Q140-S168 PolarHBondContact OE1-OG 3.45Å; N141-S168 PolarHBondContact OD1-O 3.46Å; P166-S168 PolarHBondContact O-N 2.99Å; P166-S168 VanDerWaalsContact O-N 3.16Å; S168-C170 VanDerWaalsContact C-N 3.35Å |
| 169 | C | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -83.9 | -8.1 | 175.8 | -82 | 0 | 0 | 0 | 0 | 113.9 | Q140 C146 W154 I165 P166 A167 V191 Y192 | Q140-C169 VanDerWaalsContact CD-SG 3.59Å; Q140-C169 PolarHBondContact OE1-SG 2.9Å; C146-C169 WeakPolarHBondContact CA-SG 2.94Å; C146-C169 HydrophobicContact CB-CB 3.68Å; C146-C169 WeakPolarHBondContact CB-SG 3.05Å; C146-C169 WeakPolarHBondContact SG-CB 3.43Å; C146-C169 CovalentContact SG-SG 2.03Å; C146-C169 PolarHBondContact SG-SG 3.42Å; W154-C169 PolarHBondContact NE1-SG 3.5Å; I165-C169 HydrophobicContact CG2-CB 3.72Å; P166-C169 WeakPolarHBondContact O-CB 3.44Å; P166-C169 PolarHBondContact O-N 3.34Å; P166-C169 VanDerWaalsContact O-N 3.08Å; A167-C169 PolarHBondContact O-N 3.14Å; C169-V191 HydrophobicContact CB-CB 4.12Å; C169-V191 HydrophobicContact CB-CG1 4.08Å; C169-V191 CarbonylContact O-C 3.52Å; C169-V191 WeakPolarHBondContact O-CA 3.43Å; C169-V191 WeakPolarHBondContact O-CB 3.31Å; C169-Y192 WeakPolarHBondContact O-CD2 3.49Å; C169-Y192 PolarHBondContact O-N 3.18Å |
| 170 | C | 92.7 | Very high | 88.9 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 135.8 | -172.8 | -63.7 | 0 | 0 | 0 | 0 | 112 | A167 S168 N172 C176 K190 Y192 | A167-C170 VanDerWaalsContact CA-SG 3.59Å; A167-C170 VanDerWaalsContact O-CB 3.25Å; A167-C170 WeakPolarHBondContact O-CB 3.34Å; A167-C170 PolarHBondContact O-N 3.45Å; A167-C170 VanDerWaalsContact O-N 3.11Å; A167-C170 PolarHBondContact O-SG 2.87Å; S168-C170 VanDerWaalsContact C-N 3.35Å; C170-N172 VanDerWaalsContact C-N 3.33Å; C170-C176 HydrophobicContact CB-CB 3.55Å; C170-C176 WeakPolarHBondContact CB-SG 3.18Å; C170-C176 WeakPolarHBondContact SG-CB 3.35Å; C170-C176 CovalentContact SG-SG 2.01Å; C170-C176 PolarHBondContact SG-SG 3.47Å; C170-K190 WeakPolarHBondContact CA-O 3.38Å; C170-Y192 VanDerWaalsContact O-CE2 3.27Å; C170-Y192 WeakPolarHBondContact O-CE2 3.19Å |
| 171 | F | 89.7 | Confident | 88.7 | Confident | 99 Ų | 99 | 54.7 Ų | 54.7 | 43% | 0.434 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -72.4 | -31.3 | 173.7 | 79.9 | -99.7 | 0 | 0 | 0 | 112.3 | S189 K190 Y192 | F171-S189 WeakPolarHBondContact CE1-O 3.43Å; F171-K190 VanDerWaalsContact CD1-C 3.43Å; F171-K190 WeakPolarHBondContact CD1-O 3.15Å; F171-K190 HydrophobicContact CE1-CD 4.28Å; F171-K190 PolarHBondContact N-O 3.4Å; F171-Y192 HydrophobicContact CB-CD1 4.26Å; F171-Y192 HydrophobicContact CB-CE1 3.84Å |
| 172 | N | 85.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | trans | -140.3 | 115.4 | 179 | -179.9 | 11.5 | 0 | 0 | 0 | 110.1 | C170 S174 D175 C176 | C170-N172 VanDerWaalsContact C-N 3.33Å; N172-S174 PolarHBondContact ND2-OG 3.24Å; N172-S174 VanDerWaalsContact ND2-OG 3.1Å; N172-S174 PolarHBondContact O-N 3.37Å; N172-S174 PolarHBondContact OD1-N 2.91Å; N172-S174 PolarHBondContact OD1-OG 3.17Å; N172-D175 PolarHBondContact O-N 3.25Å; N172-C176 WeakPolarHBondContact O-CB 3.45Å | ||
| 173 | S | 77.6 | Confident | 88.6 | Confident | 106 Ų | 106 | 56 Ų | 56 | 74% | 0.741 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -64.8 | -21.1 | -176.6 | -48.7 | 0 | 0 | 0 | 0 | 114 | ||
| 174 | S | 80 | Confident | 88.4 | Confident | 99 Ų | 99 | 54.3 Ų | 54.3 | 69% | 0.692 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -81.8 | -13.6 | 179.8 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | N172 | N172-S174 PolarHBondContact ND2-OG 3.24Å; N172-S174 VanDerWaalsContact ND2-OG 3.1Å; N172-S174 PolarHBondContact O-N 3.37Å; N172-S174 PolarHBondContact OD1-N 2.91Å; N172-S174 PolarHBondContact OD1-OG 3.17Å |
| 175 | D | 82.5 | Confident | 88.3 | Confident | 67 Ų | 67 | 60 Ų | 60 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -128.2 | 33.3 | -172.5 | -172 | 26 | 0 | 0 | 0 | 111.2 | N172 K190 | N172-D175 PolarHBondContact O-N 3.25Å; D175-K190 VanDerWaalsContact O-CD 3.31Å; D175-K190 WeakPolarHBondContact O-CD 3.3Å; D175-K190 PolarHBondContact O-NZ 2.97Å; D175-K190 IonicContact OD1-NZ 2.7Å; D175-K190 PolarHBondContact OD1-NZ 3.22Å; D175-K190 IonicContact OD2-NZ 2.67Å; D175-K190 PolarHBondContact OD2-NZ 3.16Å |
| 176 | C | 85.4 | Confident | 88 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | trans | -134.1 | 70 | -172.5 | -151.1 | 0 | 0 | 0 | 0 | 111 | C170 N172 L181 | C170-C176 HydrophobicContact CB-CB 3.55Å; C170-C176 WeakPolarHBondContact CB-SG 3.18Å; C170-C176 WeakPolarHBondContact SG-CB 3.35Å; C170-C176 CovalentContact SG-SG 2.01Å; C170-C176 PolarHBondContact SG-SG 3.47Å; N172-C176 WeakPolarHBondContact O-CB 3.45Å; C176-L181 VanDerWaalsContact SG-CD2 3.59Å | ||
| 177 | N | 88.4 | Confident | 87.8 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | trans | -75.2 | 150.1 | -178.1 | -69.4 | -24.2 | 0 | 0 | 0 | 111.2 | D179 D180 L181 | N177-D179 PolarHBondContact O-N 3.06Å; N177-D180 WeakPolarHBondContact O-CB 3.26Å; N177-D180 PolarHBondContact O-N 2.89Å; N177-D180 VanDerWaalsContact O-N 3.07Å; N177-L181 PolarHBondContact O-N 3.01Å; N177-L181 VanDerWaalsContact O-N 3.16Å | ||
| 178 | P | 86.6 | Confident | 87.8 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.1 | -36.5 | 178.5 | -26.7 | 35 | 0 | 0 | 0 | 113.8 | D180 L181 R182 | P178-D180 VanDerWaalsContact C-N 3.34Å; P178-D180 PolarHBondContact O-N 3.28Å; P178-L181 PolarHBondContact O-N 2.87Å; P178-R182 PolarHBondContact O-N 3.08Å; P178-R182 VanDerWaalsContact O-N 3.12Å |
| 179 | D | 87.3 | Confident | 87.8 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.8 | -36.4 | 178.4 | -70.8 | -47.7 | 0 | 0 | 0 | 112.6 | N177 R182 N183 | N177-D179 PolarHBondContact O-N 3.06Å; D179-R182 PolarHBondContact O-N 3.16Å; D179-N183 PolarHBondContact O-N 3.44Å |
| 180 | D | 88.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 22% | 0.219 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 177 | -64.2 | -32.4 | 0 | 0 | 0 | 111.1 | N177 P178 R182 N183 V186 A187 | N177-D180 WeakPolarHBondContact O-CB 3.26Å; N177-D180 PolarHBondContact O-N 2.89Å; N177-D180 VanDerWaalsContact O-N 3.07Å; P178-D180 VanDerWaalsContact C-N 3.34Å; P178-D180 PolarHBondContact O-N 3.28Å; D180-R182 VanDerWaalsContact C-N 3.27Å; D180-R182 PolarHBondContact O-N 3.23Å; D180-N183 PolarHBondContact O-N 3.22Å; D180-N183 VanDerWaalsContact O-N 3.15Å; D180-V186 HydrophobicContact CB-CG1 3.94Å; D180-A187 WeakPolarHBondContact O-CB 3.46Å; D180-A187 PolarHBondContact O-N 3.21Å |
| 181 | L | 89.6 | Confident | 87.8 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.7 | -22.6 | 178.8 | -70.5 | 166 | 0 | 0 | 0 | 113.5 | G164 I165 C176 N177 P178 V191 | G164-L181 WeakPolarHBondContact CA-O 3.2Å; I165-L181 HydrophobicContact CB-CB 4.49Å; I165-L181 HydrophobicContact CB-CD2 4.04Å; I165-L181 HydrophobicContact CG2-CD2 4.46Å; I165-L181 PolarHBondContact N-O 3.47Å; I165-L181 WeakPolarHBondContact O-CB 3.23Å; I165-L181 WeakPolarHBondContact O-CD1 3.39Å; C176-L181 VanDerWaalsContact SG-CD2 3.59Å; N177-L181 PolarHBondContact O-N 3.01Å; N177-L181 VanDerWaalsContact O-N 3.16Å; P178-L181 PolarHBondContact O-N 2.87Å; L181-V191 HydrophobicContact CD2-CG1 3.5Å; L181-V191 VanDerWaalsContact CD2-CG1 3.5Å |
| 182 | R | 89.8 | Confident | 88.1 | Confident | 141 Ų | 141 | 61.9 Ų | 61.9 | 53% | 0.532 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -83.4 | -21.9 | 171.8 | -164.7 | 173.3 | 66.8 | 150.7 | -1.6 | 112.3 | Y160 P178 D179 D180 A184 | Y160-R182 PolarHBondContact OH-O 2.7Å; P178-R182 PolarHBondContact O-N 3.08Å; P178-R182 VanDerWaalsContact O-N 3.12Å; D179-R182 PolarHBondContact O-N 3.16Å; D180-R182 VanDerWaalsContact C-N 3.27Å; D180-R182 PolarHBondContact O-N 3.23Å; R182-A184 PolarHBondContact O-N 2.83Å |
| 183 | N | 90.3 | Very high | 88.4 | Confident | 70 Ų | 70 | 64 Ų | 64 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | trans | -86.8 | 106.4 | -179.5 | -171.6 | -13.5 | 0 | 0 | 0 | 111.2 | D179 D180 T185 V186 A187 | D179-N183 PolarHBondContact O-N 3.44Å; D180-N183 PolarHBondContact O-N 3.22Å; D180-N183 VanDerWaalsContact O-N 3.15Å; N183-T185 PolarHBondContact O-N 3.35Å; N183-T185 PolarHBondContact OD1-N 2.03Å; N183-T185 PolarHBondContact OD1-OG1 3.2Å; N183-V186 HydrophobicContact CB-CB 4.2Å; N183-V186 HydrophobicContact CB-CG2 4.33Å; N183-V186 PolarHBondContact O-N 2.94Å; N183-A187 VanDerWaalsContact O-CB 3.29Å; N183-A187 WeakPolarHBondContact O-CB 3.47Å; N183-A187 PolarHBondContact O-N 3.2Å | ||
| 184 | A | 86.6 | Confident | 89.2 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | F155 R182 P188 | F155-A184 HydrophobicContact CZ-CB 4.23Å; R182-A184 PolarHBondContact O-N 2.83Å; A184-P188 VanDerWaalsContact O-CD 3.25Å; A184-P188 WeakPolarHBondContact O-CD 3.27Å; A184-P188 WeakPolarHBondContact O-CG 2.97Å |
| 185 | T | 88.6 | Confident | 89.9 | Confident | 119 Ų | 119 | 58.8 Ų | 58.8 | 73% | 0.73 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -27.1 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | N183 | N183-T185 PolarHBondContact O-N 3.35Å; N183-T185 PolarHBondContact OD1-N 2.03Å; N183-T185 PolarHBondContact OD1-OG1 3.2Å |
| 186 | V | 89.8 | Confident | 90.5 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 26% | 0.255 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -40.5 | -178.7 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | D180 N183 P188 S189 K190 | D180-V186 HydrophobicContact CB-CG1 3.94Å; N183-V186 HydrophobicContact CB-CB 4.2Å; N183-V186 HydrophobicContact CB-CG2 4.33Å; N183-V186 PolarHBondContact O-N 2.94Å; V186-P188 VanDerWaalsContact C-N 3.31Å; V186-P188 VanDerWaalsContact O-N 3.15Å; V186-S189 WeakPolarHBondContact O-CB 3.25Å; V186-S189 PolarHBondContact O-N 2.97Å; V186-S189 PolarHBondContact O-OG 3.17Å; V186-K190 HydrophobicContact CG1-CG 4.43Å |
| 187 | A | 88.7 | Confident | 90.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -47.9 | -41.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I165 D180 N183 S189 K190 V191 | I165-A187 HydrophobicContact CD1-CB 3.95Å; D180-A187 WeakPolarHBondContact O-CB 3.46Å; D180-A187 PolarHBondContact O-N 3.21Å; N183-A187 VanDerWaalsContact O-CB 3.29Å; N183-A187 WeakPolarHBondContact O-CB 3.47Å; N183-A187 PolarHBondContact O-N 3.2Å; A187-S189 PolarHBondContact O-N 2.95Å; A187-S189 VanDerWaalsContact O-N 3.16Å; A187-K190 PolarHBondContact O-N 2.98Å; A187-V191 WeakPolarHBondContact O-CG2 3.46Å; A187-V191 PolarHBondContact O-N 3.07Å |
| 188 | P | 90.6 | Very high | 91 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 16% | 0.156 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -58.8 | -29.9 | 178.3 | -22.9 | 34 | 0 | 0 | 0 | 113.3 | Y151 A184 V186 K190 H193 | Y151-P188 HydrophobicContact CE1-CB 4.09Å; Y151-P188 HydrophobicContact CE1-CG 4.47Å; Y151-P188 HydrophobicContact CE2-CB 4.31Å; Y151-P188 HydrophobicContact CE2-CG 3.85Å; Y151-P188 WeakPolarHBondContact OH-CG 3.02Å; A184-P188 VanDerWaalsContact O-CD 3.25Å; A184-P188 WeakPolarHBondContact O-CD 3.27Å; A184-P188 WeakPolarHBondContact O-CG 2.97Å; V186-P188 VanDerWaalsContact C-N 3.31Å; V186-P188 VanDerWaalsContact O-N 3.15Å; P188-K190 VanDerWaalsContact C-N 3.25Å; P188-K190 PolarHBondContact O-N 3.46Å; P188-H193 PolarHBondContact O-NE2 3.43Å |
| 189 | S | 91.4 | Very high | 91.3 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -76.5 | -11.7 | 177.2 | 71 | 0 | 0 | 0 | 0 | 113.7 | F171 V186 A187 | F171-S189 WeakPolarHBondContact CE1-O 3.43Å; V186-S189 WeakPolarHBondContact O-CB 3.25Å; V186-S189 PolarHBondContact O-N 2.97Å; V186-S189 PolarHBondContact O-OG 3.17Å; A187-S189 PolarHBondContact O-N 2.95Å; A187-S189 VanDerWaalsContact O-N 3.16Å |
| 190 | K | 92.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 14% | 0.135 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -13.8 | -170.8 | -56 | -56 | -170.7 | 156.9 | 0 | 114.7 | C170 F171 D175 V186 A187 P188 | C170-K190 WeakPolarHBondContact CA-O 3.38Å; F171-K190 VanDerWaalsContact CD1-C 3.43Å; F171-K190 WeakPolarHBondContact CD1-O 3.15Å; F171-K190 HydrophobicContact CE1-CD 4.28Å; F171-K190 PolarHBondContact N-O 3.4Å; D175-K190 VanDerWaalsContact O-CD 3.31Å; D175-K190 WeakPolarHBondContact O-CD 3.3Å; D175-K190 PolarHBondContact O-NZ 2.97Å; D175-K190 IonicContact OD1-NZ 2.7Å; D175-K190 PolarHBondContact OD1-NZ 3.22Å; D175-K190 IonicContact OD2-NZ 2.67Å; D175-K190 PolarHBondContact OD2-NZ 3.16Å; V186-K190 HydrophobicContact CG1-CG 4.43Å; A187-K190 PolarHBondContact O-N 2.98Å; P188-K190 VanDerWaalsContact C-N 3.25Å; P188-K190 PolarHBondContact O-N 3.46Å |
| 191 | V | 94.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -118.4 | 160.2 | -173.2 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | Y151 I165 C169 L181 A187 H193 | Y151-V191 HydrophobicContact CD1-CG2 4.05Å; Y151-V191 HydrophobicContact CD2-CG2 4.38Å; Y151-V191 HydrophobicContact CG-CG2 3.76Å; I165-V191 HydrophobicContact CD1-CG1 4.42Å; I165-V191 HydrophobicContact CD1-CG2 4.39Å; I165-V191 HydrophobicContact CG2-CG1 4.1Å; C169-V191 HydrophobicContact CB-CB 4.12Å; C169-V191 HydrophobicContact CB-CG1 4.08Å; C169-V191 CarbonylContact O-C 3.52Å; C169-V191 WeakPolarHBondContact O-CA 3.43Å; C169-V191 WeakPolarHBondContact O-CB 3.31Å; L181-V191 HydrophobicContact CD2-CG1 3.5Å; L181-V191 VanDerWaalsContact CD2-CG1 3.5Å; A187-V191 WeakPolarHBondContact O-CG2 3.46Å; A187-V191 PolarHBondContact O-N 3.07Å; V191-H193 PolarHBondContact O-N 2.01Å |
| 192 | Y | 94.7 | Very high | 91.5 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | trans | -63.8 | 134.5 | 170.7 | -60.6 | -64.2 | 0 | 0 | 0 | 110.9 | R144 C146 C169 C170 F171 | R144-Y192 VanDerWaalsContact C-CD2 3.47Å; R144-Y192 VanDerWaalsContact C-CG 3.49Å; R144-Y192 HydrophobicContact CB-CD1 4.18Å; R144-Y192 HydrophobicContact CB-CD2 4.46Å; R144-Y192 HydrophobicContact CB-CE1 3.69Å; R144-Y192 HydrophobicContact CB-CE2 3.98Å; R144-Y192 HydrophobicContact CG-CE1 4.31Å; R144-Y192 HydrophobicContact CG-CE2 4.42Å; R144-Y192 WeakPolarHBondContact O-CD1 3.33Å; R144-Y192 VanDerWaalsContact O-CG 3.29Å; C146-Y192 WeakPolarHBondContact CB-O 3.4Å; C169-Y192 WeakPolarHBondContact O-CD2 3.49Å; C169-Y192 PolarHBondContact O-N 3.18Å; C170-Y192 VanDerWaalsContact O-CE2 3.27Å; C170-Y192 WeakPolarHBondContact O-CE2 3.19Å; F171-Y192 HydrophobicContact CB-CD1 4.26Å; F171-Y192 HydrophobicContact CB-CE1 3.84Å | ||
| 193 | H | 93.1 | Very high | 91.4 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | trans | -86.3 | -22.2 | 175.8 | -76 | -86.6 | 0 | 0 | 0 | 113.4 | N150 Y151 P188 V191 | N150-H193 PolarHBondContact OD1-O 3.11Å; Y151-H193 AromaticContact CD1-ND1 3.82Å; Y151-H193 AromaticContact CE1-CE1 3.7Å; Y151-H193 AromaticContact CE1-ND1 3.49Å; Y151-H193 WeakPolarHBondContact CE1-ND1 3.4Å; P188-H193 PolarHBondContact O-NE2 3.43Å; V191-H193 PolarHBondContact O-N 2.01Å | ||
| 194 | Q | 94.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 50 Ų | 50 | 45% | 0.453 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -80.1 | 127.6 | -175.2 | -162.1 | 164.5 | 11.2 | 0 | 0 | 110.1 | C145 C146 L199 | C145-Q194 CarbonylContact C-O 3.52Å; C145-Q194 VanDerWaalsContact CA-O 3.28Å; C145-Q194 WeakPolarHBondContact CA-O 3.4Å; C145-Q194 VanDerWaalsContact CB-O 3.28Å; C145-Q194 WeakPolarHBondContact CB-O 3.31Å; C146-Q194 PolarHBondContact N-O 3.25Å; Q194-L199 HydrophobicContact CG-CB 4.44Å |
| 195 | G | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -68.2 | 140.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V148 Y149 F197 E198 L199 | V148-G195 CarbonylContact O-C 3.37Å; V148-G195 WeakPolarHBondContact O-CA 3.36Å; Y149-G195 WeakPolarHBondContact O-CA 3.44Å; Y149-G195 PolarHBondContact O-N 3.47Å; Y149-G195 VanDerWaalsContact O-N 3.12Å; G195-F197 VanDerWaalsContact C-N 3.35Å; G195-F197 PolarHBondContact O-N 2.92Å; G195-E198 PolarHBondContact O-N 3.31Å; G195-L199 WeakPolarHBondContact O-CB 3.33Å; G195-L199 PolarHBondContact O-N 3.05Å | ||
| 196 | C | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68 | -34.4 | -179.8 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | Y119 L139 C145 G147 V148 V200 | Y119-C196 HydrophobicContact CE1-CB 3.66Å; Y119-C196 WeakPolarHBondContact OH-CB 3.45Å; Y119-C196 PolarHBondContact OH-SG 3.34Å; L139-C196 HydrophobicContact CD2-CB 3.46Å; L139-C196 VanDerWaalsContact CD2-CB 3.46Å; C145-C196 HydrophobicContact CB-CB 3.93Å; C145-C196 WeakPolarHBondContact CB-SG 3.32Å; C145-C196 WeakPolarHBondContact SG-CA 3.25Å; C145-C196 WeakPolarHBondContact SG-CB 3.41Å; C145-C196 CovalentContact SG-SG 2.03Å; C145-C196 PolarHBondContact SG-SG 3.38Å; G147-C196 WeakPolarHBondContact O-CB 3.31Å; G147-C196 PolarHBondContact O-N 2.98Å; V148-C196 PolarHBondContact O-N 3.09Å; C196-V200 WeakPolarHBondContact O-CB 3.49Å; C196-V200 VanDerWaalsContact O-CG2 3.25Å; C196-V200 WeakPolarHBondContact O-CG2 3.4Å; C196-V200 PolarHBondContact O-N 2.97Å |
| 197 | F | 93.9 | Very high | 91 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -50 | 176.5 | 173.8 | -106.2 | 0 | 0 | 0 | 110.7 | K112 F115 R116 V148 Y149 G195 L199 V200 T201 | K112-F197 WeakPolarHBondContact O-CE2 3.43Å; F115-F197 AromaticContact CD1-CD2 3.81Å; F115-F197 HydrophobicContact CD1-CD2 3.81Å; F115-F197 HydrophobicContact CD1-CE2 4.28Å; F115-F197 HydrophobicContact CE1-CD2 4.16Å; R116-F197 HydrophobicContact CB-CD2 3.72Å; R116-F197 HydrophobicContact CB-CE2 3.49Å; R116-F197 VanDerWaalsContact CB-CE2 3.49Å; R116-F197 HydrophobicContact CB-CG 4.41Å; R116-F197 HydrophobicContact CB-CZ 3.95Å; R116-F197 HydrophobicContact CG-CD1 4.44Å; R116-F197 HydrophobicContact CG-CD2 4.07Å; R116-F197 HydrophobicContact CG-CE1 4.42Å; R116-F197 HydrophobicContact CG-CE2 4.09Å; R116-F197 HydrophobicContact CG-CG 4.25Å; R116-F197 HydrophobicContact CG-CZ 4.24Å; V148-F197 HydrophobicContact CG1-CB 3.84Å; V148-F197 VanDerWaalsContact O-CB 3.25Å; V148-F197 WeakPolarHBondContact O-CB 3.3Å; V148-F197 PolarHBondContact O-N 3.49Å; Y149-F197 HydrophobicContact CD1-CD1 4.11Å; Y149-F197 AromaticContact CE1-CD1 3.54Å; Y149-F197 HydrophobicContact CE1-CD1 3.54Å; Y149-F197 HydrophobicContact CE1-CE1 4Å; G195-F197 VanDerWaalsContact C-N 3.35Å; G195-F197 PolarHBondContact O-N 2.92Å; F197-L199 PolarHBondContact O-N 3.1Å; F197-V200 PolarHBondContact O-N 3.48Å; F197-T201 HydrophobicContact CD2-CG2 3.98Å; F197-T201 HydrophobicContact CE1-CG2 4.08Å; F197-T201 HydrophobicContact CE2-CG2 3.44Å; F197-T201 VanDerWaalsContact CE2-CG2 3.44Å; F197-T201 HydrophobicContact CG-CG2 4.48Å; F197-T201 HydrophobicContact CZ-CG2 3.53Å; F197-T201 WeakPolarHBondContact O-CB 3.37Å; F197-T201 WeakPolarHBondContact O-CG2 3.02Å; F197-T201 PolarHBondContact O-N 2.79Å; F197-T201 PolarHBondContact O-OG1 3.05Å |
| 198 | E | 91.1 | Very high | 90.8 | Very high | 108 Ų | 108 | 56 Ų | 56 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | -180 | -172 | 175.5 | -178.8 | 0 | 0 | 110.9 | G195 V200 T201 S202 | G195-E198 PolarHBondContact O-N 3.31Å; E198-V200 PolarHBondContact O-N 3.44Å; E198-T201 WeakPolarHBondContact CA-OG1 3.46Å; E198-T201 PolarHBondContact O-N 3.47Å; E198-T201 PolarHBondContact O-OG1 3.48Å; E198-S202 WeakPolarHBondContact O-CB 3.34Å; E198-S202 PolarHBondContact O-N 3.28Å |
| 199 | L | 92 | Very high | 90.7 | Very high | 39 Ų | 39 | 58.8 Ų | 58.8 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 178.9 | -174.4 | 64.3 | 0 | 0 | 0 | 112.6 | L143 C145 Q194 G195 F197 F203 | L143-L199 HydrophobicContact CB-CD2 3.88Å; L143-L199 WeakPolarHBondContact O-CD2 3.36Å; C145-L199 HydrophobicContact CB-CD2 4Å; Q194-L199 HydrophobicContact CG-CB 4.44Å; G195-L199 WeakPolarHBondContact O-CB 3.33Å; G195-L199 PolarHBondContact O-N 3.05Å; F197-L199 PolarHBondContact O-N 3.1Å; L199-F203 VanDerWaalsContact O-CB 3.26Å; L199-F203 WeakPolarHBondContact O-CB 3.33Å; L199-F203 PolarHBondContact O-N 2.89Å |
| 200 | V | 90.9 | Very high | 90.7 | Very high | 31 Ų | 31 | 60.3 Ų | 60.3 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | F115 L143 C196 F197 E198 F203 M204 | F115-V200 HydrophobicContact CD1-CG1 4.34Å; F115-V200 HydrophobicContact CE1-CB 3.96Å; F115-V200 HydrophobicContact CE1-CG1 3.88Å; F115-V200 HydrophobicContact CE1-CG2 4.14Å; F115-V200 HydrophobicContact CZ-CB 4.44Å; F115-V200 HydrophobicContact CZ-CG1 4.32Å; F115-V200 HydrophobicContact CZ-CG2 4.16Å; L143-V200 HydrophobicContact CD1-CG2 3.45Å; L143-V200 VanDerWaalsContact CD1-CG2 3.45Å; C196-V200 WeakPolarHBondContact O-CB 3.49Å; C196-V200 VanDerWaalsContact O-CG2 3.25Å; C196-V200 WeakPolarHBondContact O-CG2 3.4Å; C196-V200 PolarHBondContact O-N 2.97Å; F197-V200 PolarHBondContact O-N 3.48Å; E198-V200 PolarHBondContact O-N 3.44Å; V200-F203 PolarHBondContact O-N 2.8Å; V200-M204 HydrophobicContact CG1-SD 4.36Å; V200-M204 VanDerWaalsContact O-CG 3.32Å; V200-M204 WeakPolarHBondContact O-CG 3.44Å; V200-M204 PolarHBondContact O-N 3.36Å |
| 201 | T | 89.8 | Confident | 90.5 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 10% | 0.104 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | -179.5 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | K112 F197 E198 M204 E205 | K112-T201 HydrophobicContact CB-CG2 4.47Å; K112-T201 HydrophobicContact CD-CG2 4.06Å; K112-T201 HydrophobicContact CG-CG2 4.06Å; F197-T201 HydrophobicContact CD2-CG2 3.98Å; F197-T201 HydrophobicContact CE1-CG2 4.08Å; F197-T201 HydrophobicContact CE2-CG2 3.44Å; F197-T201 VanDerWaalsContact CE2-CG2 3.44Å; F197-T201 HydrophobicContact CG-CG2 4.48Å; F197-T201 HydrophobicContact CZ-CG2 3.53Å; F197-T201 WeakPolarHBondContact O-CB 3.37Å; F197-T201 WeakPolarHBondContact O-CG2 3.02Å; F197-T201 PolarHBondContact O-N 2.79Å; F197-T201 PolarHBondContact O-OG1 3.05Å; E198-T201 WeakPolarHBondContact CA-OG1 3.46Å; E198-T201 PolarHBondContact O-N 3.47Å; E198-T201 PolarHBondContact O-OG1 3.48Å; T201-M204 PolarHBondContact O-N 3.48Å; T201-E205 WeakPolarHBondContact O-CG 3.37Å; T201-E205 PolarHBondContact O-N 3.14Å |
| 202 | S | 89.6 | Confident | 90.2 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | E198 M204 E205 T206 | E198-S202 WeakPolarHBondContact O-CB 3.34Å; E198-S202 PolarHBondContact O-N 3.28Å; S202-M204 VanDerWaalsContact C-N 3.32Å; S202-M204 PolarHBondContact O-N 3.06Å; S202-E205 PolarHBondContact O-N 3.43Å; S202-E205 VanDerWaalsContact O-N 3.15Å; S202-T206 WeakPolarHBondContact O-CB 3.37Å; S202-T206 PolarHBondContact O-N 2.9Å; S202-T206 PolarHBondContact O-OG1 3.22Å; S202-T206 VanDerWaalsContact O-OG1 3.11Å |
| 203 | F | 86.8 | Confident | 90.1 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 52% | 0.522 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.7 | -46.4 | 173.2 | 179.7 | -91.3 | 0 | 0 | 0 | 111.5 | L199 V200 E205 N207 | L199-F203 VanDerWaalsContact O-CB 3.26Å; L199-F203 WeakPolarHBondContact O-CB 3.33Å; L199-F203 PolarHBondContact O-N 2.89Å; V200-F203 PolarHBondContact O-N 2.8Å; F203-E205 VanDerWaalsContact C-N 3.33Å; F203-E205 PolarHBondContact O-N 3.44Å; F203-N207 WeakPolarHBondContact CD2-ND2 3.01Å; F203-N207 HydrophobicContact CE1-CB 4.5Å; F203-N207 HydrophobicContact CE2-CB 4.36Å; F203-N207 WeakPolarHBondContact CE2-ND2 3.33Å; F203-N207 HydrophobicContact CZ-CB 4.29Å; F203-N207 WeakPolarHBondContact O-CB 3.25Å; F203-N207 PolarHBondContact O-N 2.92Å; F203-N207 PolarHBondContact O-ND2 2.69Å |
| 204 | M | 84.9 | Confident | 90.1 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 177.5 | -71.4 | -179.3 | 77.9 | 0 | 0 | 113.3 | V200 T201 S202 M208 | V200-M204 HydrophobicContact CG1-SD 4.36Å; V200-M204 VanDerWaalsContact O-CG 3.32Å; V200-M204 WeakPolarHBondContact O-CG 3.44Å; V200-M204 PolarHBondContact O-N 3.36Å; T201-M204 PolarHBondContact O-N 3.48Å; S202-M204 VanDerWaalsContact C-N 3.32Å; S202-M204 PolarHBondContact O-N 3.06Å; M204-M208 WeakPolarHBondContact O-CB 3.36Å; M204-M208 PolarHBondContact O-N 3.42Å |
| 205 | E | 86.3 | Confident | 89.9 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.6 | -49.2 | -179.2 | -73.6 | 177.1 | -177.7 | 0 | 0 | 111.9 | K112 T201 S202 F203 | K112-E205 VanDerWaalsContact NZ-CD 3.33Å; K112-E205 IonicContact NZ-OE1 2.6Å; K112-E205 PolarHBondContact NZ-OE1 3.46Å; T201-E205 WeakPolarHBondContact O-CG 3.37Å; T201-E205 PolarHBondContact O-N 3.14Å; S202-E205 PolarHBondContact O-N 3.43Å; S202-E205 VanDerWaalsContact O-N 3.15Å; F203-E205 VanDerWaalsContact C-N 3.33Å; F203-E205 PolarHBondContact O-N 3.44Å |
| 206 | T | 88.1 | Confident | 89.9 | Confident | 106 Ų | 106 | 68.8 Ų | 68.8 | 65% | 0.65 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -69.6 | -37.7 | -178.7 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | S202 | S202-T206 WeakPolarHBondContact O-CB 3.37Å; S202-T206 PolarHBondContact O-N 2.9Å; S202-T206 PolarHBondContact O-OG1 3.22Å; S202-T206 VanDerWaalsContact O-OG1 3.11Å |
| 207 | N | 87.4 | Confident | 89.9 | Confident | 39 Ų | 39 | 70.5 Ų | 70.5 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 13.8 | -178.1 | -56.1 | -81.5 | 0 | 0 | 0 | 113.1 | F203 A209 I210 I211 | F203-N207 WeakPolarHBondContact CD2-ND2 3.01Å; F203-N207 HydrophobicContact CE1-CB 4.5Å; F203-N207 HydrophobicContact CE2-CB 4.36Å; F203-N207 WeakPolarHBondContact CE2-ND2 3.33Å; F203-N207 HydrophobicContact CZ-CB 4.29Å; F203-N207 WeakPolarHBondContact O-CB 3.25Å; F203-N207 PolarHBondContact O-N 2.92Å; F203-N207 PolarHBondContact O-ND2 2.69Å; N207-A209 PolarHBondContact O-N 3.26Å; N207-A209 VanDerWaalsContact O-N 3.17Å; N207-I210 HydrophobicContact CB-CB 4.45Å; N207-I210 HydrophobicContact CB-CD1 4.35Å; N207-I210 PolarHBondContact O-N 3.01Å; N207-I211 WeakPolarHBondContact O-CG1 3.49Å; N207-I211 PolarHBondContact O-N 3.26Å |
| 208 | M | 85.4 | Confident | 89.9 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.5 | -37.8 | 178.6 | -170.8 | 177.4 | -70.1 | 0 | 0 | 111.8 | M204 I211 A212 | M204-M208 WeakPolarHBondContact O-CB 3.36Å; M204-M208 PolarHBondContact O-N 3.42Å; M208-I211 PolarHBondContact O-N 2.91Å; M208-A212 VanDerWaalsContact O-CB 3.23Å; M208-A212 WeakPolarHBondContact O-CB 3.35Å; M208-A212 PolarHBondContact O-N 2.88Å |
| 209 | A | 88.2 | Confident | 90 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N207 G213 | N207-A209 PolarHBondContact O-N 3.26Å; N207-A209 VanDerWaalsContact O-N 3.17Å; A209-G213 PolarHBondContact O-N 3.11Å |
| 210 | I | 91 | Very high | 90.2 | Very high | 107 Ų | 107 | 71.8 Ų | 71.8 | 55% | 0.549 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 177.7 | -58.9 | 178.8 | 0 | 0 | 0 | 109.7 | N207 A212 G213 V214 | N207-I210 HydrophobicContact CB-CB 4.45Å; N207-I210 HydrophobicContact CB-CD1 4.35Å; N207-I210 PolarHBondContact O-N 3.01Å; I210-A212 PolarHBondContact O-N 2.94Å; I210-G213 PolarHBondContact O-N 2.85Å; I210-V214 HydrophobicContact CG2-CG2 4.49Å; I210-V214 WeakPolarHBondContact O-CG2 3.44Å; I210-V214 PolarHBondContact O-N 3.22Å |
| 211 | I | 87.7 | Confident | 90.4 | Very high | 77 Ų | 77 | 71.8 Ų | 71.8 | 40% | 0.395 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 178.6 | -63 | 167.6 | 0 | 0 | 0 | 110 | N207 M208 G213 V214 T215 | N207-I211 WeakPolarHBondContact O-CG1 3.49Å; N207-I211 PolarHBondContact O-N 3.26Å; M208-I211 PolarHBondContact O-N 2.91Å; I211-G213 VanDerWaalsContact C-N 3.3Å; I211-G213 PolarHBondContact O-N 2.94Å; I211-V214 PolarHBondContact O-N 2.9Å; I211-T215 PolarHBondContact O-N 3.45Å; I211-T215 PolarHBondContact O-OG1 2.89Å; I211-T215 VanDerWaalsContact O-OG1 3.09Å |
| 212 | A | 88.9 | Confident | 90.6 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | M208 I210 T215 F216 | M208-A212 VanDerWaalsContact O-CB 3.23Å; M208-A212 WeakPolarHBondContact O-CB 3.35Å; M208-A212 PolarHBondContact O-N 2.88Å; I210-A212 PolarHBondContact O-N 2.94Å; A212-T215 PolarHBondContact O-N 2.91Å; A212-F216 VanDerWaalsContact O-CB 3.29Å; A212-F216 WeakPolarHBondContact O-CB 3.4Å; A212-F216 PolarHBondContact O-N 3.09Å |
| 213 | G | 93.3 | Very high | 91 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 45% | 0.454 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A209 I210 I211 F216 G217 | A209-G213 PolarHBondContact O-N 3.11Å; I210-G213 PolarHBondContact O-N 2.85Å; I211-G213 VanDerWaalsContact C-N 3.3Å; I211-G213 PolarHBondContact O-N 2.94Å; G213-F216 PolarHBondContact O-N 3.25Å; G213-G217 PolarHBondContact O-N 2.94Å |
| 214 | V | 92.4 | Very high | 91.4 | Very high | 87 Ų | 87 | 70 Ų | 70 | 53% | 0.527 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | I210 I211 F216 G217 I218 | I210-V214 HydrophobicContact CG2-CG2 4.49Å; I210-V214 WeakPolarHBondContact O-CG2 3.44Å; I210-V214 PolarHBondContact O-N 3.22Å; I211-V214 PolarHBondContact O-N 2.9Å; V214-F216 PolarHBondContact O-N 3.32Å; V214-G217 PolarHBondContact O-N 3.31Å; V214-G217 VanDerWaalsContact O-N 3.16Å; V214-I218 HydrophobicContact CG1-CD1 3.98Å; V214-I218 WeakPolarHBondContact O-CG1 3.45Å; V214-I218 PolarHBondContact O-N 3.04Å |
| 215 | T | 91.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 66.9 Ų | 66.9 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | E97 I211 A212 G217 I218 A219 | E97-T215 HydrophobicContact CG-CG2 4.34Å; E97-T215 VanDerWaalsContact OE1-O 3.1Å; I211-T215 PolarHBondContact O-N 3.45Å; I211-T215 PolarHBondContact O-OG1 2.89Å; I211-T215 VanDerWaalsContact O-OG1 3.09Å; A212-T215 PolarHBondContact O-N 2.91Å; T215-G217 VanDerWaalsContact C-N 3.3Å; T215-G217 PolarHBondContact O-N 3.47Å; T215-I218 PolarHBondContact O-N 3.01Å; T215-A219 PolarHBondContact O-N 3.18Å |
| 216 | F | 93.6 | Very high | 92.3 | Very high | 149 Ų | 149 | 62.6 Ų | 62.6 | 65% | 0.654 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 176.5 | -175.1 | -96 | 0 | 0 | 0 | 112.1 | A212 G213 V214 A219 F220 | A212-F216 VanDerWaalsContact O-CB 3.29Å; A212-F216 WeakPolarHBondContact O-CB 3.4Å; A212-F216 PolarHBondContact O-N 3.09Å; G213-F216 PolarHBondContact O-N 3.25Å; V214-F216 PolarHBondContact O-N 3.32Å; F216-A219 PolarHBondContact O-N 2.99Å; F216-F220 VanDerWaalsContact O-CB 3.27Å; F216-F220 WeakPolarHBondContact O-CB 3.01Å; F216-F220 PolarHBondContact O-N 3.36Å |
| 217 | G | 95.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 63 Ų | 63 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | G213 V214 T215 F220 S221 | G213-G217 PolarHBondContact O-N 2.94Å; V214-G217 PolarHBondContact O-N 3.31Å; V214-G217 VanDerWaalsContact O-N 3.16Å; T215-G217 VanDerWaalsContact C-N 3.3Å; T215-G217 PolarHBondContact O-N 3.47Å; G217-F220 PolarHBondContact O-N 3.46Å; G217-S221 WeakPolarHBondContact O-CB 3.11Å; G217-S221 PolarHBondContact O-N 2.95Å |
| 218 | I | 93.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 36% | 0.359 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -51.8 | 175.5 | -64.8 | 165.8 | 0 | 0 | 0 | 109.8 | E97 V214 T215 F220 S221 Q222 | E97-I218 WeakPolarHBondContact OE1-CB 3.44Å; E97-I218 WeakPolarHBondContact OE1-CG2 3.3Å; E97-I218 WeakPolarHBondContact OE2-CG2 3.49Å; V214-I218 HydrophobicContact CG1-CD1 3.98Å; V214-I218 WeakPolarHBondContact O-CG1 3.45Å; V214-I218 PolarHBondContact O-N 3.04Å; T215-I218 PolarHBondContact O-N 3.01Å; I218-F220 VanDerWaalsContact C-N 3.32Å; I218-F220 PolarHBondContact O-N 3.37Å; I218-S221 WeakPolarHBondContact O-CB 3.28Å; I218-S221 PolarHBondContact O-N 3.44Å; I218-S221 VanDerWaalsContact O-N 3.1Å; I218-S221 PolarHBondContact O-OG 3.28Å; I218-Q222 WeakPolarHBondContact O-CG 3.28Å; I218-Q222 PolarHBondContact O-N 2.6Å |
| 219 | A | 94.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F94 T215 F216 Q222 L223 | F94-A219 HydrophobicContact CD2-CB 4.18Å; F94-A219 HydrophobicContact CE2-CB 3.94Å; T215-A219 PolarHBondContact O-N 3.18Å; F216-A219 PolarHBondContact O-N 2.99Å; A219-Q222 PolarHBondContact O-N 3.3Å; A219-L223 PolarHBondContact O-N 2.89Å |
| 220 | F | 95.4 | Very high | 93.8 | Very high | 114 Ų | 114 | 57.5 Ų | 57.5 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 176.1 | -177.2 | -106.2 | 0 | 0 | 0 | 112.2 | F216 G217 I218 Q222 L223 I224 | F216-F220 VanDerWaalsContact O-CB 3.27Å; F216-F220 WeakPolarHBondContact O-CB 3.01Å; F216-F220 PolarHBondContact O-N 3.36Å; G217-F220 PolarHBondContact O-N 3.46Å; I218-F220 VanDerWaalsContact C-N 3.32Å; I218-F220 PolarHBondContact O-N 3.37Å; F220-Q222 VanDerWaalsContact C-N 3.3Å; F220-Q222 PolarHBondContact O-N 3.42Å; F220-L223 WeakPolarHBondContact O-CB 3.07Å; F220-L223 PolarHBondContact O-N 3.42Å; F220-I224 HydrophobicContact CD1-CD1 3.82Å; F220-I224 HydrophobicContact CE1-CD1 3.42Å; F220-I224 VanDerWaalsContact CE1-CD1 3.42Å; F220-I224 HydrophobicContact CE1-CG1 4.22Å; F220-I224 HydrophobicContact CZ-CD1 4.01Å; F220-I224 HydrophobicContact CZ-CG1 4.42Å; F220-I224 PolarHBondContact O-N 3.05Å; F220-I224 VanDerWaalsContact O-N 3.1Å |
| 221 | S | 94.9 | Very high | 94 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 176.3 | 79.1 | 0 | 0 | 0 | 0 | 112.2 | Y17 G217 I218 I224 G225 | Y17-S221 WeakPolarHBondContact CE2-O 3.37Å; Y17-S221 PolarHBondContact OH-O 3.05Å; G217-S221 WeakPolarHBondContact O-CB 3.11Å; G217-S221 PolarHBondContact O-N 2.95Å; I218-S221 WeakPolarHBondContact O-CB 3.28Å; I218-S221 PolarHBondContact O-N 3.44Å; I218-S221 VanDerWaalsContact O-N 3.1Å; I218-S221 PolarHBondContact O-OG 3.28Å; S221-I224 PolarHBondContact O-N 3.15Å; S221-G225 PolarHBondContact O-N 3.45Å |
| 222 | Q | 95.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 174.5 | -69.1 | 166.6 | -0.7 | 0 | 0 | 111.8 | Y17 E97 I218 A219 F220 I224 G225 M226 | Y17-Q222 WeakPolarHBondContact OH-CA 3.27Å; E97-Q222 PolarHBondContact OE2-NE2 3.06Å; E97-Q222 PolarHBondContact OE2-OE1 2.03Å; I218-Q222 WeakPolarHBondContact O-CG 3.28Å; I218-Q222 PolarHBondContact O-N 2.6Å; A219-Q222 PolarHBondContact O-N 3.3Å; F220-Q222 VanDerWaalsContact C-N 3.3Å; F220-Q222 PolarHBondContact O-N 3.42Å; Q222-I224 VanDerWaalsContact C-N 3.33Å; Q222-I224 PolarHBondContact O-N 3.12Å; Q222-G225 PolarHBondContact O-N 3.44Å; Q222-M226 HydrophobicContact CB-CE 4.21Å; Q222-M226 WeakPolarHBondContact O-CG 3.14Å; Q222-M226 PolarHBondContact O-N 3.37Å |
| 223 | L | 96 | Very high | 94.4 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 37% | 0.372 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 173.7 | -68.5 | 171.9 | 0 | 0 | 0 | 111.6 | F94 A219 F220 G225 M226 L227 | F94-L223 HydrophobicContact CD2-CD2 4.5Å; F94-L223 HydrophobicContact CD2-CG 4.41Å; F94-L223 HydrophobicContact CE2-CD1 4.12Å; F94-L223 HydrophobicContact CE2-CD2 4.13Å; F94-L223 HydrophobicContact CE2-CG 3.97Å; F94-L223 HydrophobicContact CZ-CD1 4.37Å; F94-L223 HydrophobicContact CZ-CD2 4.17Å; F94-L223 HydrophobicContact CZ-CG 4.41Å; A219-L223 PolarHBondContact O-N 2.89Å; F220-L223 WeakPolarHBondContact O-CB 3.07Å; F220-L223 PolarHBondContact O-N 3.42Å; L223-G225 PolarHBondContact O-N 2.87Å; L223-M226 HydrophobicContact CD2-CE 3.74Å; L223-M226 HydrophobicContact CG-CE 4.34Å; L223-M226 PolarHBondContact O-N 2.93Å; L223-L227 WeakPolarHBondContact O-CB 3.2Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.42Å; L223-L227 PolarHBondContact O-N 3.34Å |
| 224 | I | 95.5 | Very high | 94.4 | Very high | 67 Ų | 67 | 56 Ų | 56 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 174.2 | -67.3 | 168.3 | 0 | 0 | 0 | 110.7 | F220 S221 Q222 M226 L227 L228 | F220-I224 HydrophobicContact CD1-CD1 3.82Å; F220-I224 HydrophobicContact CE1-CD1 3.42Å; F220-I224 VanDerWaalsContact CE1-CD1 3.42Å; F220-I224 HydrophobicContact CE1-CG1 4.22Å; F220-I224 HydrophobicContact CZ-CD1 4.01Å; F220-I224 HydrophobicContact CZ-CG1 4.42Å; F220-I224 PolarHBondContact O-N 3.05Å; F220-I224 VanDerWaalsContact O-N 3.1Å; S221-I224 PolarHBondContact O-N 3.15Å; Q222-I224 VanDerWaalsContact C-N 3.33Å; Q222-I224 PolarHBondContact O-N 3.12Å; I224-M226 PolarHBondContact O-N 2.84Å; I224-L227 PolarHBondContact O-N 3.15Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.24Å; I224-L228 WeakPolarHBondContact O-CB 3.39Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.48Å; I224-L228 PolarHBondContact O-N 2.77Å |
| 225 | G | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S221 Q222 L223 L228 A229 | S221-G225 PolarHBondContact O-N 3.45Å; Q222-G225 PolarHBondContact O-N 3.44Å; L223-G225 PolarHBondContact O-N 2.87Å; G225-L228 PolarHBondContact O-N 3.11Å; G225-A229 WeakPolarHBondContact O-CB 3.35Å; G225-A229 PolarHBondContact O-N 3.48Å |
| 226 | M | 96.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.1 | -75.8 | -174.6 | -96.7 | 0 | 0 | 112 | L90 S91 F94 Q222 L223 I224 A229 C230 | L90-M226 HydrophobicContact CB-CG 3.61Å; L90-M226 HydrophobicContact CB-SD 4.48Å; L90-M226 HydrophobicContact CD1-CG 4.32Å; S91-M226 VanDerWaalsContact CA-SD 3.57Å; F94-M226 HydrophobicContact CB-CE 3.84Å; F94-M226 HydrophobicContact CD2-CE 4.38Å; F94-M226 HydrophobicContact CG-CE 4.02Å; Q222-M226 HydrophobicContact CB-CE 4.21Å; Q222-M226 WeakPolarHBondContact O-CG 3.14Å; Q222-M226 PolarHBondContact O-N 3.37Å; L223-M226 HydrophobicContact CD2-CE 3.74Å; L223-M226 HydrophobicContact CG-CE 4.34Å; L223-M226 PolarHBondContact O-N 2.93Å; I224-M226 PolarHBondContact O-N 2.84Å; M226-A229 PolarHBondContact O-N 3.24Å; M226-C230 VanDerWaalsContact O-CB 3.26Å; M226-C230 WeakPolarHBondContact O-CB 3.45Å; M226-C230 PolarHBondContact O-N 3.49Å; M226-C230 PolarHBondContact O-SG 2.7Å; M226-C230 VanDerWaalsContact O-SG 3.33Å |
| 227 | L | 95.8 | Very high | 93.9 | Very high | 113 Ų | 113 | 47 Ų | 47 | 59% | 0.592 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.4 | -47.7 | 178.4 | -72.2 | 172.7 | 0 | 0 | 0 | 111.1 | L223 I224 A229 C230 C231 | L223-L227 WeakPolarHBondContact O-CB 3.2Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.42Å; L223-L227 PolarHBondContact O-N 3.34Å; I224-L227 PolarHBondContact O-N 3.15Å; L227-A229 PolarHBondContact O-N 2.9Å; L227-C230 PolarHBondContact O-N 3.23Å; L227-C231 VanDerWaalsContact O-CB 3.23Å; L227-C231 WeakPolarHBondContact O-CB 3.38Å; L227-C231 PolarHBondContact O-N 3.12Å; L227-C231 PolarHBondContact O-SG 3.31Å |
| 228 | L | 95.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.7 | -71.3 | 174.4 | 0 | 0 | 0 | 111.7 | L10 L13 L14 I224 G225 L232 | L10-L228 HydrophobicContact CD2-CD2 3.71Å; L13-L228 HydrophobicContact CB-CD1 4.19Å; L13-L228 HydrophobicContact CB-CD2 4.44Å; L13-L228 HydrophobicContact CD1-CD2 4.36Å; L14-L228 HydrophobicContact CD1-CB 3.95Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.24Å; I224-L228 WeakPolarHBondContact O-CB 3.39Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.48Å; I224-L228 PolarHBondContact O-N 2.77Å; G225-L228 PolarHBondContact O-N 3.11Å; L228-L232 VanDerWaalsContact O-CB 3.23Å; L228-L232 WeakPolarHBondContact O-CB 3.18Å; L228-L232 PolarHBondContact O-N 3.34Å |
| 229 | A | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L14 Y86 A87 G225 M226 L227 S233 | L14-A229 HydrophobicContact CD1-CB 4.45Å; L14-A229 HydrophobicContact CD2-CB 4.12Å; Y86-A229 HydrophobicContact CD1-CB 4.19Å; A87-A229 HydrophobicContact CB-CB 4.05Å; G225-A229 WeakPolarHBondContact O-CB 3.35Å; G225-A229 PolarHBondContact O-N 3.48Å; M226-A229 PolarHBondContact O-N 3.24Å; L227-A229 PolarHBondContact O-N 2.9Å; A229-S233 VanDerWaalsContact O-CB 3.27Å; A229-S233 WeakPolarHBondContact O-CB 3.05Å; A229-S233 PolarHBondContact O-N 3.21Å |
| 230 | C | 94.6 | Very high | 91.9 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 37% | 0.365 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 177.6 | -76.5 | 0 | 0 | 0 | 0 | 112.3 | M226 L227 S233 R234 | M226-C230 VanDerWaalsContact O-CB 3.26Å; M226-C230 WeakPolarHBondContact O-CB 3.45Å; M226-C230 PolarHBondContact O-N 3.49Å; M226-C230 PolarHBondContact O-SG 2.7Å; M226-C230 VanDerWaalsContact O-SG 3.33Å; L227-C230 PolarHBondContact O-N 3.23Å; C230-S233 PolarHBondContact O-N 3.04Å; C230-R234 WeakPolarHBondContact O-CG 3.2Å; C230-R234 PolarHBondContact O-N 2.67Å |
| 231 | C | 93.6 | Very high | 90.6 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.9 | -73.6 | 0 | 0 | 0 | 0 | 111 | L227 S233 R234 I235 | L227-C231 VanDerWaalsContact O-CB 3.23Å; L227-C231 WeakPolarHBondContact O-CB 3.38Å; L227-C231 PolarHBondContact O-N 3.12Å; L227-C231 PolarHBondContact O-SG 3.31Å; C231-S233 PolarHBondContact O-N 3.15Å; C231-R234 PolarHBondContact O-N 3.12Å; C231-I235 VanDerWaalsContact O-CG1 3.31Å; C231-I235 WeakPolarHBondContact O-CG1 3.13Å; C231-I235 PolarHBondContact O-N 3.14Å |
| 232 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.7 | -177.9 | 62.4 | 0 | 0 | 0 | 111.6 | I7 L10 K11 L14 T75 L83 L228 R234 I235 I236 | I7-L232 HydrophobicContact CG2-CD1 4.1Å; L10-L232 HydrophobicContact CB-CD1 4.16Å; K11-L232 HydrophobicContact CG-CD1 3.88Å; K11-L232 HydrophobicContact CG-CD2 3.75Å; K11-L232 HydrophobicContact CG-CG 4.48Å; L14-L232 HydrophobicContact CD2-CD2 4.04Å; T75-L232 HydrophobicContact CG2-CD2 3.95Å; L83-L232 HydrophobicContact CD1-CB 4.21Å; L83-L232 HydrophobicContact CD1-CD2 3.76Å; L83-L232 HydrophobicContact CD1-CG 3.7Å; L83-L232 HydrophobicContact CD2-CD2 4.07Å; L228-L232 VanDerWaalsContact O-CB 3.23Å; L228-L232 WeakPolarHBondContact O-CB 3.18Å; L228-L232 PolarHBondContact O-N 3.34Å; L232-R234 PolarHBondContact O-N 3.42Å; L232-I235 PolarHBondContact O-N 3.35Å; L232-I236 HydrophobicContact CD1-CD1 3.86Å; L232-I236 HydrophobicContact CD1-CG1 4.18Å; L232-I236 HydrophobicContact CG-CD1 3.84Å; L232-I236 VanDerWaalsContact O-CG1 3.26Å; L232-I236 WeakPolarHBondContact O-CG1 3.34Å; L232-I236 PolarHBondContact O-N 3.08Å |
| 233 | S | 93.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | P80 K84 A229 C230 C231 I236 T237 | P80-S233 WeakPolarHBondContact CA-OG 3.44Å; P80-S233 PolarHBondContact O-OG 3.12Å; K84-S233 WeakPolarHBondContact CE-OG 3.49Å; K84-S233 WeakPolarHBondContact CG-OG 3.37Å; A229-S233 VanDerWaalsContact O-CB 3.27Å; A229-S233 WeakPolarHBondContact O-CB 3.05Å; A229-S233 PolarHBondContact O-N 3.21Å; C230-S233 PolarHBondContact O-N 3.04Å; C231-S233 PolarHBondContact O-N 3.15Å; S233-I236 PolarHBondContact O-N 2.86Å; S233-T237 WeakPolarHBondContact O-CB 3.25Å; S233-T237 PolarHBondContact O-N 3.43Å; S233-T237 PolarHBondContact O-OG1 3.2Å |
| 234 | R | 92 | Very high | 85 | Confident | 194 Ų | 194 | 72.1 Ų | 72.1 | 73% | 0.732 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | 178.1 | -75.4 | -177.9 | 179.4 | -171.3 | 0.9 | 112 | C230 C231 L232 T237 A238 | C230-R234 WeakPolarHBondContact O-CG 3.2Å; C230-R234 PolarHBondContact O-N 2.67Å; C231-R234 PolarHBondContact O-N 3.12Å; L232-R234 PolarHBondContact O-N 3.42Å; R234-T237 PolarHBondContact O-N 3.46Å; R234-A238 WeakPolarHBondContact O-CB 3.43Å; R234-A238 PolarHBondContact O-N 3.02Å |
| 235 | I | 90.1 | Very high | 84.5 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | -179.9 | -66.8 | 165.2 | 0 | 0 | 0 | 110.9 | V6 I7 L10 C231 L232 T237 A238 N239 | V6-I235 HydrophobicContact CG1-CD1 4.46Å; I7-I235 HydrophobicContact CD1-CG2 3.79Å; I7-I235 HydrophobicContact CG1-CG2 3.52Å; L10-I235 HydrophobicContact CD1-CD1 3.51Å; C231-I235 VanDerWaalsContact O-CG1 3.31Å; C231-I235 WeakPolarHBondContact O-CG1 3.13Å; C231-I235 PolarHBondContact O-N 3.14Å; L232-I235 PolarHBondContact O-N 3.35Å; I235-T237 VanDerWaalsContact C-N 3.33Å; I235-T237 PolarHBondContact O-N 2.85Å; I235-A238 PolarHBondContact O-N 2.85Å; I235-N239 PolarHBondContact O-N 3.16Å; I235-N239 VanDerWaalsContact O-N 3.12Å; I235-N239 PolarHBondContact O-ND2 3.25Å |
| 236 | I | 88.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 11% | 0.113 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.5 | -64.8 | 169.8 | 0 | 0 | 0 | 110.4 | G78 P80 L83 L232 S233 N239 Q240 | G78-I236 WeakPolarHBondContact O-CG2 3.29Å; P80-I236 HydrophobicContact CG-CB 4.12Å; P80-I236 HydrophobicContact CG-CG2 3.64Å; L83-I236 HydrophobicContact CD1-CD1 3.9Å; L232-I236 HydrophobicContact CD1-CD1 3.86Å; L232-I236 HydrophobicContact CD1-CG1 4.18Å; L232-I236 HydrophobicContact CG-CD1 3.84Å; L232-I236 VanDerWaalsContact O-CG1 3.26Å; L232-I236 WeakPolarHBondContact O-CG1 3.34Å; L232-I236 PolarHBondContact O-N 3.08Å; S233-I236 PolarHBondContact O-N 2.86Å; I236-N239 PolarHBondContact O-N 2.92Å; I236-Q240 WeakPolarHBondContact O-CG 3.49Å; I236-Q240 PolarHBondContact O-N 2.92Å; I236-Q240 VanDerWaalsContact O-N 3.17Å |
| 237 | T | 88.5 | Confident | 83.2 | Confident | 32 Ų | 32 | 78.9 Ų | 78.9 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | P80 S233 R234 I235 N239 Q240 Y241 | P80-T237 VanDerWaalsContact CB-OG1 3.29Å; P80-T237 WeakPolarHBondContact CB-OG1 3.29Å; S233-T237 WeakPolarHBondContact O-CB 3.25Å; S233-T237 PolarHBondContact O-N 3.43Å; S233-T237 PolarHBondContact O-OG1 3.2Å; R234-T237 PolarHBondContact O-N 3.46Å; I235-T237 VanDerWaalsContact C-N 3.33Å; I235-T237 PolarHBondContact O-N 2.85Å; T237-N239 PolarHBondContact O-N 3.12Å; T237-Q240 PolarHBondContact O-N 3.03Å; T237-Q240 VanDerWaalsContact O-N 3.16Å; T237-Y241 HydrophobicContact CG2-CD2 4.02Å; T237-Y241 HydrophobicContact CG2-CE2 3.55Å; T237-Y241 WeakPolarHBondContact O-CD2 3.38Å; T237-Y241 PolarHBondContact O-N 2.87Å |
| 238 | A | 85.3 | Confident | 82.5 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 40% | 0.397 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R234 I235 Q240 Y241 E242 | R234-A238 WeakPolarHBondContact O-CB 3.43Å; R234-A238 PolarHBondContact O-N 3.02Å; I235-A238 PolarHBondContact O-N 2.85Å; A238-Q240 PolarHBondContact O-N 2.99Å; A238-Y241 PolarHBondContact O-N 3.42Å; A238-Y241 VanDerWaalsContact O-N 3.13Å; A238-E242 PolarHBondContact O-N 2.92Å |
| 239 | N | 80.6 | Confident | 81.7 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.9 | -24.8 | 177.6 | -68.9 | -44.4 | 0 | 0 | 0 | 113.5 | I7 I235 I236 T237 M243 | I7-N239 VanDerWaalsContact CD1-ND2 3.31Å; I7-N239 WeakPolarHBondContact CD1-ND2 3.34Å; I235-N239 PolarHBondContact O-N 3.16Å; I235-N239 VanDerWaalsContact O-N 3.12Å; I235-N239 PolarHBondContact O-ND2 3.25Å; I236-N239 PolarHBondContact O-N 2.92Å; T237-N239 PolarHBondContact O-N 3.12Å; N239-M243 WeakPolarHBondContact O-CG 3.46Å |
| 240 | Q | 76.4 | Confident | 80.8 | Confident | 115 Ų | 115 | 85.4 Ų | 85.4 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.7 | -31.6 | 174.9 | -72.8 | -163.8 | -60.6 | 0 | 0 | 112.4 | I236 T237 A238 | I236-Q240 WeakPolarHBondContact O-CG 3.49Å; I236-Q240 PolarHBondContact O-N 2.92Å; I236-Q240 VanDerWaalsContact O-N 3.17Å; T237-Q240 PolarHBondContact O-N 3.03Å; T237-Q240 VanDerWaalsContact O-N 3.16Å; A238-Q240 PolarHBondContact O-N 2.99Å |
| 241 | Y | 66.6 | Low | 79.8 | Confident | 177 Ų | 177 | 87.6 Ų | 87.6 | 69% | 0.694 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -77.3 | -29.7 | 176.7 | -73.6 | -72.3 | 0 | 0 | 0 | 112.9 | T237 A238 M243 | T237-Y241 HydrophobicContact CG2-CD2 4.02Å; T237-Y241 HydrophobicContact CG2-CE2 3.55Å; T237-Y241 WeakPolarHBondContact O-CD2 3.38Å; T237-Y241 PolarHBondContact O-N 2.87Å; A238-Y241 PolarHBondContact O-N 3.42Å; A238-Y241 VanDerWaalsContact O-N 3.13Å; Y241-M243 PolarHBondContact O-N 2.67Å |
| 242 | E | 63.4 | Low | 78.8 | Confident | 155 Ų | 155 | 89.8 Ų | 89.8 | 72% | 0.724 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -11.1 | 176.9 | -70.7 | -179.3 | 179.7 | 0 | 0 | 114.1 | A238 | A238-E242 PolarHBondContact O-N 2.92Š|
| 243 | M | 56.3 | Low | 77.6 | Confident | 159 Ų | 159 | 97.3 Ų | 97.3 | 78% | 0.783 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 8.9 | 179.4 | -65.6 | -165.2 | -56.4 | 0 | 0 | 113.9 | N239 Y241 | N239-M243 WeakPolarHBondContact O-CG 3.46Å; Y241-M243 PolarHBondContact O-N 2.67Å |
| 244 | V | 50.2 | Low | 76.2 | Confident | 182 Ų | 182 | 106.1 Ų | 106.1 | 100% | 1.103 | 52% | 0.519 | S | S | * | . | trans | -113.5 | 0 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 244 of 244 residues in 50.9 ms
(Link to these results)