| 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 | S | 90.1 | Very high | 97.6 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 48% | 0.483 | 25% | 0.248 | S | C | . | . | 0 | 163.7 | 0 | -177 | 0 | 0 | 0 | 0 | 108.2 | N3 D6 N91 | S1-N3 PolarHBondContact OG-N 2.99Å; S1-D6 WeakPolarHBondContact OG-CB 3.43Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; S1-N91 PolarHBondContact N-OD1 2.64Å; S1-N91 VanDerWaalsContact O-CB 3.29Å; S1-N91 WeakPolarHBondContact O-CB 3.43Å; S1-N91 PolarHBondContact O-OD1 2.99Å | |||
| 2 | T | 96.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | trans | -114 | -8.8 | 165.6 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | P87 R88 | T2-P87 WeakPolarHBondContact O-CB 3.15Å; T2-R88 HydrophobicContact CG2-CG 3.98Å | ||
| 3 | N | 98.2 | Very high | 97.8 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | trans | -74.7 | 130.2 | -178.9 | -173.4 | -75.7 | 0 | 0 | 0 | 110.7 | S1 K5 D6 I7 | S1-N3 PolarHBondContact OG-N 2.99Å; N3-K5 PolarHBondContact O-N 3.35Å; N3-K5 WeakPolarHBondContact OD1-CA 3.06Å; N3-K5 WeakPolarHBondContact OD1-CB 3.25Å; N3-K5 PolarHBondContact OD1-N 3.19Å; N3-D6 HydrophobicContact CB-CB 4.45Å; N3-D6 PolarHBondContact O-N 3.28Å; N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.17Å; N3-I7 VanDerWaalsContact O-N 3.16Å | ||
| 4 | H | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -30.6 | 179 | 70.1 | 101.7 | 0 | 0 | 0 | 114.8 | G8 N72 P76 D83 M84 | H4-G8 PolarHBondContact O-N 2.88Å; H4-N72 PolarHBondContact ND1-O 3.4Å; H4-P76 HydrophobicContact CB-CG 4.31Å; H4-D83 VanDerWaalsContact CB-OD1 3.22Å; H4-D83 WeakPolarHBondContact CB-OD1 3.43Å; H4-D83 IonicContact CD2-OD1 3.36Å; H4-D83 PolarHBondContact CD2-OD1 3.24Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.94Å; H4-M84 HydrophobicContact CB-CG 3.79Å |
| 5 | K | 98.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 46.3 Ų | 46.3 | 35% | 0.352 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.3 | -50.6 | 178.4 | -58.8 | -179.1 | -176.8 | 175.6 | 0 | 110.5 | N3 I7 G8 T9 W73 | N3-K5 PolarHBondContact O-N 3.35Å; N3-K5 WeakPolarHBondContact OD1-CA 3.06Å; N3-K5 WeakPolarHBondContact OD1-CB 3.25Å; N3-K5 PolarHBondContact OD1-N 3.19Å; K5-I7 PolarHBondContact O-N 2.99Å; K5-G8 CarbonylContact O-C 3.6Å; K5-G8 WeakPolarHBondContact O-CA 3.45Å; K5-G8 PolarHBondContact O-N 3.33Å; K5-G8 VanDerWaalsContact O-N 3.07Å; K5-T9 PolarHBondContact O-N 3.39Å; K5-W73 HydrophobicContact CB-CE3 3.87Å; K5-W73 HydrophobicContact CB-CH2 4.07Å; K5-W73 HydrophobicContact CB-CZ3 3.58Å; K5-W73 HydrophobicContact CG-CE3 4.43Å; K5-W73 HydrophobicContact CG-CZ3 4.43Å; K5-W73 WeakPolarHBondContact O-CZ3 3.42Å |
| 6 | D | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.3 | -45.3 | 177.2 | -62.7 | -16.3 | 0 | 0 | 0 | 111 | S1 N3 T9 L10 | S1-D6 WeakPolarHBondContact OG-CB 3.43Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; N3-D6 HydrophobicContact CB-CB 4.45Å; N3-D6 PolarHBondContact O-N 3.28Å; D6-T9 PolarHBondContact O-N 3.29Å; D6-L10 WeakPolarHBondContact O-CG 3.15Å; D6-L10 PolarHBondContact O-N 2.94Å |
| 7 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 178 | -64.7 | 165.6 | 0 | 0 | 0 | 110.5 | N3 K5 T9 L10 Y11 N90 N91 F94 | N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.17Å; N3-I7 VanDerWaalsContact O-N 3.16Å; K5-I7 PolarHBondContact O-N 2.99Å; I7-T9 PolarHBondContact O-N 3.12Å; I7-L10 WeakPolarHBondContact O-CB 3.37Å; I7-L10 PolarHBondContact O-N 3.11Å; I7-Y11 HydrophobicContact CG2-CD2 3.76Å; I7-Y11 HydrophobicContact CG2-CE2 3.6Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.37Å; I7-Y11 PolarHBondContact O-N 3.32Å; I7-N90 HydrophobicContact CD1-CB 4.11Å; I7-N91 HydrophobicContact CD1-CB 3.89Å; I7-F94 HydrophobicContact CG2-CB 4.22Å |
| 8 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H4 K5 Y11 F12 | H4-G8 PolarHBondContact O-N 2.88Å; K5-G8 CarbonylContact O-C 3.6Å; K5-G8 WeakPolarHBondContact O-CA 3.45Å; K5-G8 PolarHBondContact O-N 3.33Å; K5-G8 VanDerWaalsContact O-N 3.07Å; G8-Y11 WeakPolarHBondContact O-CB 3.47Å; G8-Y11 PolarHBondContact O-N 3.42Å; G8-F12 WeakPolarHBondContact O-CD2 3.13Å; G8-F12 PolarHBondContact O-N 3.44Å |
| 9 | T | 98.8 | Very high | 98 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.2 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | K5 D6 I7 Y11 F12 I13 W73 | K5-T9 PolarHBondContact O-N 3.39Å; D6-T9 PolarHBondContact O-N 3.29Å; I7-T9 PolarHBondContact O-N 3.12Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3Å; T9-F12 PolarHBondContact O-N 2.64Å; T9-F12 VanDerWaalsContact O-N 3.16Å; T9-I13 HydrophobicContact CG2-CD1 3.68Å; T9-I13 HydrophobicContact CG2-CG1 4.24Å; T9-I13 WeakPolarHBondContact O-CG1 3.32Å; T9-I13 PolarHBondContact O-N 3.21Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.37Å |
| 10 | L | 98.7 | Very high | 98.1 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.9 | -73.9 | 174 | 0 | 0 | 0 | 111.3 | D6 I7 F12 I13 W14 F94 | D6-L10 WeakPolarHBondContact O-CG 3.15Å; D6-L10 PolarHBondContact O-N 2.94Å; I7-L10 WeakPolarHBondContact O-CB 3.37Å; I7-L10 PolarHBondContact O-N 3.11Å; L10-F12 PolarHBondContact O-N 3.02Å; L10-I13 PolarHBondContact O-N 3.03Å; L10-W14 WeakPolarHBondContact O-CB 3.36Å; L10-W14 PolarHBondContact O-N 3.41Å; L10-F94 VanDerWaalsContact C-CE2 3.46Å; L10-F94 HydrophobicContact CB-CD1 4.29Å; L10-F94 HydrophobicContact CB-CD2 4.06Å; L10-F94 HydrophobicContact CB-CE1 3.92Å; L10-F94 HydrophobicContact CB-CE2 3.67Å; L10-F94 HydrophobicContact CB-CG 4.37Å; L10-F94 HydrophobicContact CB-CZ 3.61Å; L10-F94 HydrophobicContact CD1-CD1 4.16Å; L10-F94 HydrophobicContact CD1-CE1 3.96Å; L10-F94 HydrophobicContact CD1-CZ 4.47Å; L10-F94 HydrophobicContact CD2-CZ 4.44Å; L10-F94 HydrophobicContact CG-CE1 4.37Å; L10-F94 HydrophobicContact CG-CZ 4.39Å; L10-F94 WeakPolarHBondContact O-CE2 3.41Å |
| 11 | Y | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 172.9 | -87.1 | -70 | 0 | 0 | 0 | 112.8 | I7 G8 T9 G15 P64 G68 S93 F94 L97 | I7-Y11 HydrophobicContact CG2-CD2 3.76Å; I7-Y11 HydrophobicContact CG2-CE2 3.6Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.37Å; I7-Y11 PolarHBondContact O-N 3.32Å; G8-Y11 WeakPolarHBondContact O-CB 3.47Å; G8-Y11 PolarHBondContact O-N 3.42Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3Å; Y11-G15 PolarHBondContact O-N 2.99Å; Y11-P64 HydrophobicContact CD1-CB 3.99Å; Y11-G68 WeakPolarHBondContact CD2-O 3.35Å; Y11-G68 VanDerWaalsContact CG-C 3.49Å; Y11-S93 VanDerWaalsContact OH-C 3.22Å; Y11-S93 WeakPolarHBondContact OH-CB 3.4Å; Y11-S93 PolarHBondContact OH-OG 3.27Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.37Å; Y11-F94 HydrophobicContact CD2-CD2 4.1Å; Y11-F94 HydrophobicContact CE1-CB 4.38Å; Y11-F94 HydrophobicContact CE1-CD2 4.07Å; Y11-F94 HydrophobicContact CE2-CB 3.75Å; Y11-F94 HydrophobicContact CE2-CD2 4.23Å; Y11-F94 HydrophobicContact CE2-CG 4.46Å; Y11-F94 AromaticContact CG-CD2 3.93Å; Y11-F94 HydrophobicContact CG-CD2 3.93Å; Y11-F94 WeakPolarHBondContact OH-CA 3.41Å; Y11-F94 PolarHBondContact OH-N 3.38Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; Y11-L97 HydrophobicContact CD1-CD1 3.94Å; Y11-L97 HydrophobicContact CE1-CD1 3.5Å |
| 12 | F | 98.8 | Very high | 98.5 | Very high | 51 Ų | 51 | 45.7 Ų | 45.7 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 176.8 | -73.4 | -54 | 0 | 0 | 0 | 113 | G8 T9 L10 W14 G15 A16 I65 F70 W73 | G8-F12 WeakPolarHBondContact O-CD2 3.13Å; G8-F12 PolarHBondContact O-N 3.44Å; T9-F12 PolarHBondContact O-N 2.64Å; T9-F12 VanDerWaalsContact O-N 3.16Å; L10-F12 PolarHBondContact O-N 3.02Å; F12-W14 VanDerWaalsContact C-N 3.33Å; F12-W14 PolarHBondContact O-N 2.83Å; F12-G15 PolarHBondContact O-N 2.94Å; F12-A16 VanDerWaalsContact O-CB 3.26Å; F12-A16 WeakPolarHBondContact O-CB 3.37Å; F12-A16 PolarHBondContact O-N 3.02Å; F12-I65 HydrophobicContact CD1-CG2 4.1Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; F12-F70 HydrophobicContact CE1-CD1 4.08Å; F12-F70 AromaticContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CE1 4.11Å; F12-F70 AromaticContact CE1-CE2 3.75Å; F12-F70 HydrophobicContact CE1-CE2 3.75Å; F12-F70 AromaticContact CE1-CG 3.86Å; F12-F70 HydrophobicContact CE1-CG 3.86Å; F12-F70 AromaticContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CZ-CB 4.25Å; F12-F70 AromaticContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD2 4Å; F12-F70 AromaticContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE2 4.23Å; F12-F70 AromaticContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CZ 4.13Å; F12-W73 HydrophobicContact CE2-CB 4.33Å |
| 13 | I | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 45.4 Ų | 45.4 | 56% | 0.564 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.2 | -46.6 | -179.8 | -66.4 | 170.5 | 0 | 0 | 0 | 109.7 | T9 L10 W17 | T9-I13 HydrophobicContact CG2-CD1 3.68Å; T9-I13 HydrophobicContact CG2-CG1 4.24Å; T9-I13 WeakPolarHBondContact O-CG1 3.32Å; T9-I13 PolarHBondContact O-N 3.21Å; L10-I13 PolarHBondContact O-N 3.03Å; I13-W17 WeakPolarHBondContact O-CB 3.36Å; I13-W17 PolarHBondContact O-N 3.19Å |
| 14 | W | 98.5 | Very high | 98.6 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 17% | 0.167 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 178.6 | 179.1 | -104.4 | 0 | 0 | 0 | 112.1 | L10 F12 A16 W17 A18 F94 P98 L101 | L10-W14 WeakPolarHBondContact O-CB 3.36Å; L10-W14 PolarHBondContact O-N 3.41Å; F12-W14 VanDerWaalsContact C-N 3.33Å; F12-W14 PolarHBondContact O-N 2.83Å; W14-A16 VanDerWaalsContact C-N 3.35Å; W14-A16 PolarHBondContact O-N 3.06Å; W14-W17 HydrophobicContact CH2-CE3 4.48Å; W14-W17 HydrophobicContact CH2-CZ3 4.32Å; W14-W17 HydrophobicContact CZ3-CE3 4.22Å; W14-W17 HydrophobicContact CZ3-CZ3 4.4Å; W14-W17 PolarHBondContact O-N 3.36Å; W14-A18 WeakPolarHBondContact O-CB 3.45Å; W14-A18 PolarHBondContact O-N 3.26Å; W14-F94 HydrophobicContact CB-CE2 3.82Å; W14-F94 HydrophobicContact CB-CZ 4.28Å; W14-F94 HydrophobicContact CG-CE2 4.2Å; W14-P98 HydrophobicContact CE3-CG 4.47Å; W14-P98 HydrophobicContact CH2-CB 3.91Å; W14-P98 HydrophobicContact CH2-CG 4.2Å; W14-P98 HydrophobicContact CZ2-CB 4.22Å; W14-P98 HydrophobicContact CZ2-CG 4.26Å; W14-P98 HydrophobicContact CZ3-CB 4.29Å; W14-P98 HydrophobicContact CZ3-CG 4.3Å; W14-L101 HydrophobicContact CH2-CB 4.22Å; W14-L101 HydrophobicContact CH2-CD2 3.79Å; W14-L101 HydrophobicContact CZ2-CB 3.65Å; W14-L101 HydrophobicContact CZ2-CD2 3.41Å; W14-L101 VanDerWaalsContact CZ2-CD2 3.41Å; W14-L101 HydrophobicContact CZ2-CG 4.15Å |
| 15 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y11 F12 G19 F60 | Y11-G15 PolarHBondContact O-N 2.99Å; F12-G15 PolarHBondContact O-N 2.94Å; G15-G19 PolarHBondContact O-N 3.11Å; G15-F60 WeakPolarHBondContact CA-O 3.37Å |
| 16 | A | 98.6 | Very high | 98.6 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 44% | 0.438 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F12 W14 G19 M20 | F12-A16 VanDerWaalsContact O-CB 3.26Å; F12-A16 WeakPolarHBondContact O-CB 3.37Å; F12-A16 PolarHBondContact O-N 3.02Å; W14-A16 VanDerWaalsContact C-N 3.35Å; W14-A16 PolarHBondContact O-N 3.06Å; A16-G19 PolarHBondContact O-N 3.35Å; A16-M20 WeakPolarHBondContact O-CG 3.5Å; A16-M20 PolarHBondContact O-N 2.84Å |
| 17 | W | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 176.9 | -176.7 | 89.6 | 0 | 0 | 0 | 112.1 | I13 W14 G19 M20 V21 L101 | I13-W17 WeakPolarHBondContact O-CB 3.36Å; I13-W17 PolarHBondContact O-N 3.19Å; W14-W17 HydrophobicContact CH2-CE3 4.48Å; W14-W17 HydrophobicContact CH2-CZ3 4.32Å; W14-W17 HydrophobicContact CZ3-CE3 4.22Å; W14-W17 HydrophobicContact CZ3-CZ3 4.4Å; W14-W17 PolarHBondContact O-N 3.36Å; W17-G19 VanDerWaalsContact C-N 3.28Å; W17-G19 PolarHBondContact O-N 3.34Å; W17-M20 HydrophobicContact CB-CE 4.45Å; W17-M20 WeakPolarHBondContact O-CB 3.48Å; W17-M20 PolarHBondContact O-N 3.35Å; W17-M20 VanDerWaalsContact O-N 3.15Å; W17-V21 HydrophobicContact CD2-CG2 4.45Å; W17-V21 HydrophobicContact CE3-CG2 4.28Å; W17-V21 HydrophobicContact CH2-CG2 3.91Å; W17-V21 HydrophobicContact CZ2-CG2 4.09Å; W17-V21 HydrophobicContact CZ3-CG2 4.01Å; W17-V21 PolarHBondContact O-N 3.2Å; W17-L101 HydrophobicContact CE3-CD2 4.26Å; W17-L101 HydrophobicContact CZ3-CD2 3.66Å |
| 18 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W14 M20 V21 G22 I56 F60 L101 | W14-A18 WeakPolarHBondContact O-CB 3.45Å; W14-A18 PolarHBondContact O-N 3.26Å; A18-M20 VanDerWaalsContact C-N 3.32Å; A18-M20 PolarHBondContact O-N 3.43Å; A18-V21 WeakPolarHBondContact O-CB 3.27Å; A18-V21 PolarHBondContact O-N 2.87Å; A18-V21 VanDerWaalsContact O-N 3.11Å; A18-G22 PolarHBondContact O-N 2.97Å; A18-I56 HydrophobicContact CB-CG2 4.39Å; A18-I56 WeakPolarHBondContact O-CG2 3.36Å; A18-F60 HydrophobicContact CB-CB 3.88Å; A18-F60 WeakPolarHBondContact CB-O 3.49Å; A18-L101 HydrophobicContact CB-CD2 3.92Å |
| 19 | G | 98.6 | Very high | 98.6 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G15 A16 W17 G22 T23 M61 | G15-G19 PolarHBondContact O-N 3.11Å; A16-G19 PolarHBondContact O-N 3.35Å; W17-G19 VanDerWaalsContact C-N 3.28Å; W17-G19 PolarHBondContact O-N 3.34Å; G19-G22 PolarHBondContact O-N 2.86Å; G19-T23 WeakPolarHBondContact O-CB 3.29Å; G19-T23 PolarHBondContact O-N 3Å; G19-T23 PolarHBondContact O-OG1 3.42Å; G19-M61 VanDerWaalsContact CA-SD 3.59Å |
| 20 | M | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 56.5 Ų | 56.5 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 172.5 | -70.9 | -172.8 | -68.9 | 0 | 0 | 111.8 | A16 W17 A18 T23 S24 | A16-M20 WeakPolarHBondContact O-CG 3.5Å; A16-M20 PolarHBondContact O-N 2.84Å; W17-M20 HydrophobicContact CB-CE 4.45Å; W17-M20 WeakPolarHBondContact O-CB 3.48Å; W17-M20 PolarHBondContact O-N 3.35Å; W17-M20 VanDerWaalsContact O-N 3.15Å; A18-M20 VanDerWaalsContact C-N 3.32Å; A18-M20 PolarHBondContact O-N 3.43Å; M20-T23 PolarHBondContact O-N 3.17Å; M20-S24 PolarHBondContact O-N 2.93Å |
| 21 | V | 98.5 | Very high | 98.5 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | W17 A18 T23 S24 L25 I56 L105 | W17-V21 HydrophobicContact CD2-CG2 4.45Å; W17-V21 HydrophobicContact CE3-CG2 4.28Å; W17-V21 HydrophobicContact CH2-CG2 3.91Å; W17-V21 HydrophobicContact CZ2-CG2 4.09Å; W17-V21 HydrophobicContact CZ3-CG2 4.01Å; W17-V21 PolarHBondContact O-N 3.2Å; A18-V21 WeakPolarHBondContact O-CB 3.27Å; A18-V21 PolarHBondContact O-N 2.87Å; A18-V21 VanDerWaalsContact O-N 3.11Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.39Å; V21-S24 PolarHBondContact O-N 3.49Å; V21-S24 PolarHBondContact O-OG 3.48Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.41Å; V21-I56 HydrophobicContact CG1-CD1 3.95Å; V21-L105 HydrophobicContact CG1-CD2 4.41Å |
| 22 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A18 G19 L25 S26 H53 | A18-G22 PolarHBondContact O-N 2.97Å; G19-G22 PolarHBondContact O-N 2.86Å; G22-L25 PolarHBondContact O-N 3.48Å; G22-S26 PolarHBondContact O-N 3.46Å; G22-H53 PolarHBondContact O-CE1 3.37Å; G22-H53 PolarHBondContact O-ND1 2.88Å |
| 23 | T | 98.6 | Very high | 98.4 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | G19 M20 V21 L25 S26 I27 | G19-T23 WeakPolarHBondContact O-CB 3.29Å; G19-T23 PolarHBondContact O-N 3Å; G19-T23 PolarHBondContact O-OG1 3.42Å; M20-T23 PolarHBondContact O-N 3.17Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.39Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.34Å; T23-S26 WeakPolarHBondContact O-CA 3.42Å; T23-S26 VanDerWaalsContact O-CB 3.25Å; T23-S26 WeakPolarHBondContact O-CB 3.37Å; T23-S26 PolarHBondContact O-N 3.01Å; T23-S26 VanDerWaalsContact O-N 3.1Å; T23-I27 HydrophobicContact CG2-CD1 4.48Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 3.25Å |
| 24 | S | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.2 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | M20 V21 S26 I27 L28 | M20-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-N 3.49Å; V21-S24 PolarHBondContact O-OG 3.48Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 3.09Å; S24-I27 PolarHBondContact O-N 3.35Å; S24-L28 PolarHBondContact O-N 2.94Å |
| 25 | L | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 171.7 | -61.9 | 177.4 | 0 | 0 | 0 | 111.9 | V21 G22 T23 I27 L28 I29 I49 A52 H53 I56 | V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.41Å; G22-L25 PolarHBondContact O-N 3.48Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.34Å; L25-I27 VanDerWaalsContact C-N 3.31Å; L25-I27 PolarHBondContact O-N 2.85Å; L25-L28 HydrophobicContact CD2-CD1 4.45Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 3.47Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.01Å; L25-I49 HydrophobicContact CB-CG2 3.96Å; L25-I49 HydrophobicContact CD2-CG2 4.08Å; L25-A52 HydrophobicContact CD1-CB 3.84Å; L25-H53 HydrophobicContact CB-CB 3.94Å; L25-H53 HydrophobicContact CD1-CB 4.38Å; L25-I56 HydrophobicContact CD1-CD1 3.85Å |
| 26 | S | 98.4 | Very high | 97.9 | Very high | 33 Ų | 33 | 66 Ų | 66 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 175 | -155.8 | 0 | 0 | 0 | 0 | 112.6 | G22 T23 S24 L28 I29 R30 H53 | G22-S26 PolarHBondContact O-N 3.46Å; T23-S26 WeakPolarHBondContact O-CA 3.42Å; T23-S26 VanDerWaalsContact O-CB 3.25Å; T23-S26 WeakPolarHBondContact O-CB 3.37Å; T23-S26 PolarHBondContact O-N 3.01Å; T23-S26 VanDerWaalsContact O-N 3.1Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 3.09Å; S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 3.44Å; S26-I29 PolarHBondContact O-N 2.87Å; S26-R30 VanDerWaalsContact O-CG 3.31Å; S26-R30 WeakPolarHBondContact O-CG 3.34Å; S26-R30 PolarHBondContact O-N 3.41Å; S26-H53 VanDerWaalsContact CB-CE1 3.42Å; S26-H53 WeakPolarHBondContact CB-CE1 3.24Å |
| 27 | I | 98.4 | Very high | 97.5 | Very high | 112 Ų | 112 | 66.5 Ų | 66.5 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 176.7 | -67.2 | 167.6 | 0 | 0 | 0 | 110.4 | T23 S24 L25 R30 A31 | T23-I27 HydrophobicContact CG2-CD1 4.48Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 3.25Å; S24-I27 PolarHBondContact O-N 3.35Å; L25-I27 VanDerWaalsContact C-N 3.31Å; L25-I27 PolarHBondContact O-N 2.85Å; I27-R30 PolarHBondContact O-N 3.42Å; I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.23Å |
| 28 | L | 98.1 | Very high | 97.2 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.5 | -64.1 | 176.5 | 0 | 0 | 0 | 111.9 | S24 L25 S26 R30 A31 E32 I49 | S24-L28 PolarHBondContact O-N 2.94Å; L25-L28 HydrophobicContact CD2-CD1 4.45Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 3.47Å; S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 3.44Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; L28-A31 PolarHBondContact O-N 2.97Å; L28-E32 PolarHBondContact O-N 3.45Å; L28-I49 HydrophobicContact CB-CG2 4.42Å; L28-I49 HydrophobicContact CD1-CD1 4.34Å |
| 29 | I | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 69.5 Ų | 69.5 | 8% | 0.082 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 175.3 | -64.7 | 162.9 | 0 | 0 | 0 | 110.3 | L25 S26 E32 L33 Y46 I49 V50 H53 | L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.01Å; S26-I29 PolarHBondContact O-N 2.87Å; I29-E32 PolarHBondContact O-N 2.94Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.37Å; I29-L33 VanDerWaalsContact O-N 3.11Å; I29-Y46 HydrophobicContact CB-CE2 4.44Å; I29-Y46 HydrophobicContact CG2-CE2 3.95Å; I29-I49 HydrophobicContact CD1-CG2 4.07Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I29-V50 HydrophobicContact CD1-CB 4.35Å; I29-V50 HydrophobicContact CD1-CG2 3.81Å; I29-V50 HydrophobicContact CG1-CG2 3.88Å; I29-V50 HydrophobicContact CG2-CG2 4.34Å; I29-H53 HydrophobicContact CD1-CB 3.89Å |
| 30 | R | 98.3 | Very high | 96.8 | Very high | 181 Ų | 181 | 72 Ų | 72 | 68% | 0.683 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.7 | -31 | -179.5 | -66.5 | -63.5 | -176.5 | -179 | -0.7 | 113 | S26 I27 L28 G34 | S26-R30 VanDerWaalsContact O-CG 3.31Å; S26-R30 WeakPolarHBondContact O-CG 3.34Å; S26-R30 PolarHBondContact O-N 3.41Å; I27-R30 PolarHBondContact O-N 3.42Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; R30-G34 PolarHBondContact O-N 3.36Å; R30-G34 VanDerWaalsContact O-N 3.14Å |
| 31 | A | 97.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 36% | 0.355 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I27 L28 L33 G34 L39 | I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.23Å; L28-A31 PolarHBondContact O-N 2.97Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 2.97Å; A31-G34 PolarHBondContact O-N 3.07Å; A31-L39 HydrophobicContact CB-CD2 4Å |
| 32 | E | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 70.9 Ų | 70.9 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 174.3 | -174 | 62 | -149.4 | 0 | 0 | 111.5 | L28 I29 G34 A38 L39 I40 Y46 | L28-E32 PolarHBondContact O-N 3.45Å; I29-E32 PolarHBondContact O-N 2.94Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 3.33Å; E32-A38 WeakPolarHBondContact OE1-CA 3.35Å; E32-L39 PolarHBondContact OE1-N 3.46Å; E32-L39 WeakPolarHBondContact OE2-CA 3.42Å; E32-L39 VanDerWaalsContact OE2-CB 3.24Å; E32-L39 WeakPolarHBondContact OE2-CB 3.3Å; E32-L39 PolarHBondContact OE2-N 3.27Å; E32-I40 HydrophobicContact CB-CD1 4.12Å; E32-I40 HydrophobicContact CG-CD1 4.17Å; E32-I40 WeakPolarHBondContact OE2-CB 3.34Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.26Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.31Å; E32-I40 PolarHBondContact OE2-N 2.84Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.16Å; E32-Y46 HydrophobicContact CG-CD2 3.82Å; E32-Y46 HydrophobicContact CG-CE2 4.11Å |
| 33 | L | 97.7 | Very high | 96.5 | Very high | 101 Ų | 101 | 77 Ų | 77 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 5.3 | -178 | -62.5 | 178.6 | 0 | 0 | 0 | 114.3 | I29 A31 H35 Y46 | I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.37Å; I29-L33 VanDerWaalsContact O-N 3.11Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 2.97Å; L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.75Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.28Å; L33-Y46 HydrophobicContact CG-CE2 4.35Å |
| 34 | G | 97.1 | Very high | 96.4 | Very high | 61 Ų | 61 | 76.2 Ų | 76.2 | 63% | 0.629 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -27.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R30 A31 E32 | R30-G34 PolarHBondContact O-N 3.36Å; R30-G34 VanDerWaalsContact O-N 3.14Å; A31-G34 PolarHBondContact O-N 3.07Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 3.33Å |
| 35 | H | 94 | Very high | 96.4 | Very high | 113 Ų | 113 | 77.3 Ų | 77.3 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -152.5 | 156.8 | 174.7 | 54.2 | 65.9 | 0 | 0 | 0 | 110 | L33 | L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.75Å |
| 36 | P | 94.1 | Very high | 96.4 | Very high | 131 Ų | 131 | 78.6 Ų | 78.6 | 85% | 0.851 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -56.9 | 145.4 | 170.6 | -22.3 | 33.4 | 0 | 0 | 0 | 111.8 | ||
| 37 | G | 91.9 | Very high | 96.4 | Very high | 63 Ų | 63 | 80.1 Ų | 80.1 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 121 | -176.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 38 | A | 91.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 75.4 Ų | 75.4 | 60% | 0.595 | 44% | 0.444 | S | S | * | . | trans | -118.9 | 117.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E32 | E32-A38 WeakPolarHBondContact OE1-CA 3.35Š| ||
| 39 | L | 94.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 72.4 Ų | 72.4 | 57% | 0.565 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -90.6 | -45.3 | 175.3 | 172 | 74.5 | 0 | 0 | 0 | 110.6 | A31 E32 | A31-L39 HydrophobicContact CB-CD2 4Å; E32-L39 PolarHBondContact OE1-N 3.46Å; E32-L39 WeakPolarHBondContact OE2-CA 3.42Å; E32-L39 VanDerWaalsContact OE2-CB 3.24Å; E32-L39 WeakPolarHBondContact OE2-CB 3.3Å; E32-L39 PolarHBondContact OE2-N 3.27Å |
| 40 | I | 95.7 | Very high | 96.4 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 30% | 0.297 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -73.8 | -39.4 | 174.6 | -69.7 | 163.5 | 0 | 0 | 0 | 110.3 | E32 D42 I45 Y46 I49 | E32-I40 HydrophobicContact CB-CD1 4.12Å; E32-I40 HydrophobicContact CG-CD1 4.17Å; E32-I40 WeakPolarHBondContact OE2-CB 3.34Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.26Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.31Å; E32-I40 PolarHBondContact OE2-N 2.84Å; I40-D42 VanDerWaalsContact C-N 3.27Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 3.23Å; I40-I45 HydrophobicContact CG2-CB 4.01Å; I40-I45 HydrophobicContact CG2-CG2 3.87Å; I40-Y46 HydrophobicContact CD1-CD2 4.33Å; I40-I49 HydrophobicContact CD1-CD1 4.16Å |
| 41 | G | 95.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 63% | 0.629 | 41% | 0.406 | S | S | * | . | trans | 77.7 | 7.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 42 | D | 96.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | trans | -145.1 | 112 | 178.7 | -173 | -35.4 | 0 | 0 | 0 | 110.6 | I40 Q44 I45 Y46 | I40-D42 VanDerWaalsContact C-N 3.27Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 3.23Å; D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 2.83Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.34Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.21Å; D42-Q44 PolarHBondContact OD1-N 3.29Å; D42-I45 HydrophobicContact CB-CB 4.15Å; D42-I45 HydrophobicContact CB-CD1 3.9Å; D42-I45 HydrophobicContact CB-CG1 4.01Å; D42-I45 PolarHBondContact O-N 3.24Å; D42-I45 PolarHBondContact OD1-N 3.17Å; D42-I45 VanDerWaalsContact OD1-N 3.17Å; D42-Y46 PolarHBondContact O-N 2.88Å | ||
| 43 | D | 96.1 | Very high | 96.6 | Very high | 129 Ų | 129 | 64.4 Ų | 64.4 | 69% | 0.69 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.5 | -30.1 | -178.4 | -65.3 | -18 | 0 | 0 | 0 | 112.7 | Y46 N47 | D43-Y46 WeakPolarHBondContact O-CB 3.34Å; D43-Y46 PolarHBondContact O-N 2.94Å; D43-N47 VanDerWaalsContact O-CG 3.27Å; D43-N47 PolarHBondContact O-N 3.36Å; D43-N47 PolarHBondContact O-ND2 3.1Å; D43-N47 VanDerWaalsContact O-ND2 3.17Å |
| 44 | Q | 97.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.3 | -43.4 | 178.2 | 176.5 | 63.3 | 9.4 | 0 | 0 | 110.4 | D42 Y46 N47 V48 N112 H130 | D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 2.83Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.34Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.21Å; D42-Q44 PolarHBondContact OD1-N 3.29Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 2.84Å; Q44-N47 PolarHBondContact O-N 3.19Å; Q44-N47 VanDerWaalsContact O-N 3.13Å; Q44-V48 VanDerWaalsContact O-CG2 3.29Å; Q44-V48 WeakPolarHBondContact O-CG2 3.22Å; Q44-V48 PolarHBondContact O-N 2.92Å; Q44-N112 HydrophobicContact CG-CB 4.25Å; Q44-N112 WeakPolarHBondContact CG-O 3.37Å; Q44-N112 PolarHBondContact NE2-O 3.35Å; Q44-H130 PolarHBondContact NE2-NE2 3.2Å |
| 45 | I | 98 | Very high | 96.7 | Very high | 83 Ų | 83 | 57.8 Ų | 57.8 | 43% | 0.426 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 174.5 | -67 | 179.2 | 0 | 0 | 0 | 110.1 | I40 D42 N47 V48 I49 | I40-I45 HydrophobicContact CG2-CB 4.01Å; I40-I45 HydrophobicContact CG2-CG2 3.87Å; D42-I45 HydrophobicContact CB-CB 4.15Å; D42-I45 HydrophobicContact CB-CD1 3.9Å; D42-I45 HydrophobicContact CB-CG1 4.01Å; D42-I45 PolarHBondContact O-N 3.24Å; D42-I45 PolarHBondContact OD1-N 3.17Å; D42-I45 VanDerWaalsContact OD1-N 3.17Å; I45-N47 PolarHBondContact O-N 3.37Å; I45-V48 PolarHBondContact O-N 3.26Å; I45-I49 HydrophobicContact CG2-CD1 3.9Å; I45-I49 HydrophobicContact CG2-CG1 4.45Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 2.85Å |
| 46 | Y | 98.1 | Very high | 96.9 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 174.1 | 175 | -94.1 | 0 | 0 | 0 | 111.9 | I29 E32 L33 I40 D42 D43 Q44 V48 I49 V50 | I29-Y46 HydrophobicContact CB-CE2 4.44Å; I29-Y46 HydrophobicContact CG2-CE2 3.95Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.16Å; E32-Y46 HydrophobicContact CG-CD2 3.82Å; E32-Y46 HydrophobicContact CG-CE2 4.11Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.28Å; L33-Y46 HydrophobicContact CG-CE2 4.35Å; I40-Y46 HydrophobicContact CD1-CD2 4.33Å; D42-Y46 PolarHBondContact O-N 2.88Å; D43-Y46 WeakPolarHBondContact O-CB 3.34Å; D43-Y46 PolarHBondContact O-N 2.94Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 2.84Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 3.14Å; Y46-I49 PolarHBondContact O-N 2.77Å; Y46-V50 HydrophobicContact CD1-CG2 4.13Å; Y46-V50 HydrophobicContact CE1-CG2 3.68Å; Y46-V50 HydrophobicContact CE2-CG2 4.14Å; Y46-V50 WeakPolarHBondContact O-CG2 3.07Å; Y46-V50 PolarHBondContact O-N 3.03Å |
| 47 | N | 98.4 | Very high | 97.1 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 178.4 | -69.8 | -32.6 | 0 | 0 | 0 | 113 | D43 Q44 I45 V50 T51 | D43-N47 VanDerWaalsContact O-CG 3.27Å; D43-N47 PolarHBondContact O-N 3.36Å; D43-N47 PolarHBondContact O-ND2 3.1Å; D43-N47 VanDerWaalsContact O-ND2 3.17Å; Q44-N47 PolarHBondContact O-N 3.19Å; Q44-N47 VanDerWaalsContact O-N 3.13Å; I45-N47 PolarHBondContact O-N 3.37Å; N47-V50 PolarHBondContact O-N 3.17Å; N47-T51 WeakPolarHBondContact O-CB 3.42Å; N47-T51 PolarHBondContact O-N 3.42Å; N47-T51 PolarHBondContact O-OG1 3.01Å |
| 48 | V | 98.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | Q44 I45 Y46 T51 A52 N112 | Q44-V48 VanDerWaalsContact O-CG2 3.29Å; Q44-V48 WeakPolarHBondContact O-CG2 3.22Å; Q44-V48 PolarHBondContact O-N 2.92Å; I45-V48 PolarHBondContact O-N 3.26Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 3.14Å; V48-T51 PolarHBondContact O-N 3.34Å; V48-A52 WeakPolarHBondContact O-CB 3.46Å; V48-A52 PolarHBondContact O-N 2.89Å; V48-N112 WeakPolarHBondContact CG2-O 3.16Å |
| 49 | I | 98.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 176.6 | -67.6 | 168.9 | 0 | 0 | 0 | 110.6 | L25 L28 I29 I40 I45 Y46 T51 A52 H53 | L25-I49 HydrophobicContact CB-CG2 3.96Å; L25-I49 HydrophobicContact CD2-CG2 4.08Å; L28-I49 HydrophobicContact CB-CG2 4.42Å; L28-I49 HydrophobicContact CD1-CD1 4.34Å; I29-I49 HydrophobicContact CD1-CG2 4.07Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I40-I49 HydrophobicContact CD1-CD1 4.16Å; I45-I49 HydrophobicContact CG2-CD1 3.9Å; I45-I49 HydrophobicContact CG2-CG1 4.45Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 2.85Å; Y46-I49 PolarHBondContact O-N 2.77Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.19Å; I49-A52 PolarHBondContact O-N 3.44Å; I49-H53 VanDerWaalsContact O-CB 3.25Å; I49-H53 WeakPolarHBondContact O-CB 3.22Å; I49-H53 PolarHBondContact O-N 2.69Å |
| 50 | V | 98.7 | Very high | 97.9 | Very high | 46 Ų | 46 | 39.2 Ų | 39.2 | 28% | 0.279 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | I29 Y46 N47 A54 | I29-V50 HydrophobicContact CD1-CB 4.35Å; I29-V50 HydrophobicContact CD1-CG2 3.81Å; I29-V50 HydrophobicContact CG1-CG2 3.88Å; I29-V50 HydrophobicContact CG2-CG2 4.34Å; Y46-V50 HydrophobicContact CD1-CG2 4.13Å; Y46-V50 HydrophobicContact CE1-CG2 3.68Å; Y46-V50 HydrophobicContact CE2-CG2 4.14Å; Y46-V50 WeakPolarHBondContact O-CG2 3.07Å; Y46-V50 PolarHBondContact O-N 3.03Å; N47-V50 PolarHBondContact O-N 3.17Å; V50-A54 PolarHBondContact O-N 3.16Å; V50-A54 VanDerWaalsContact O-N 3.12Å |
| 51 | T | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -48.8 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | N47 V48 I49 A54 F55 A114 G117 | N47-T51 WeakPolarHBondContact O-CB 3.42Å; N47-T51 PolarHBondContact O-N 3.42Å; N47-T51 PolarHBondContact O-OG1 3.01Å; V48-T51 PolarHBondContact O-N 3.34Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.19Å; T51-A54 PolarHBondContact O-N 3.24Å; T51-F55 HydrophobicContact CG2-CD2 3.79Å; T51-F55 HydrophobicContact CG2-CE2 3.46Å; T51-F55 VanDerWaalsContact CG2-CE2 3.46Å; T51-F55 HydrophobicContact CG2-CZ 4.48Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.49Å; T51-F55 PolarHBondContact O-N 3.48Å; T51-F55 VanDerWaalsContact O-N 3.16Å; T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 2.95Å; T51-A114 VanDerWaalsContact CG2-O 3.31Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.5Å; T51-G117 VanDerWaalsContact OG1-CA 3.27Å; T51-G117 WeakPolarHBondContact OG1-CA 3.36Å; T51-G117 PolarHBondContact OG1-N 3.43Å |
| 52 | A | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L25 V48 I49 A54 F55 I56 | L25-A52 HydrophobicContact CD1-CB 3.84Å; V48-A52 WeakPolarHBondContact O-CB 3.46Å; V48-A52 PolarHBondContact O-N 2.89Å; I49-A52 PolarHBondContact O-N 3.44Å; A52-A54 PolarHBondContact O-N 3.34Å; A52-F55 PolarHBondContact O-N 3.37Å; A52-I56 WeakPolarHBondContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 2.94Å |
| 53 | H | 98.8 | Very high | 98.2 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 18% | 0.181 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.4 | -53.4 | 175.4 | 169.9 | 66.2 | 0 | 0 | 0 | 111.3 | G22 L25 S26 I29 I49 F55 I56 M57 | G22-H53 PolarHBondContact O-CE1 3.37Å; G22-H53 PolarHBondContact O-ND1 2.88Å; L25-H53 HydrophobicContact CB-CB 3.94Å; L25-H53 HydrophobicContact CD1-CB 4.38Å; S26-H53 VanDerWaalsContact CB-CE1 3.42Å; S26-H53 WeakPolarHBondContact CB-CE1 3.24Å; I29-H53 HydrophobicContact CD1-CB 3.89Å; I49-H53 VanDerWaalsContact O-CB 3.25Å; I49-H53 WeakPolarHBondContact O-CB 3.22Å; I49-H53 PolarHBondContact O-N 2.69Å; H53-F55 PolarHBondContact O-N 3.44Å; H53-I56 PolarHBondContact O-N 3.1Å; H53-M57 WeakPolarHBondContact CE1-CG 3.26Å; H53-M57 VanDerWaalsContact O-CG 3.24Å; H53-M57 WeakPolarHBondContact O-CG 3.29Å; H53-M57 PolarHBondContact O-N 3.33Å |
| 54 | A | 98.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V50 T51 A52 I56 M57 I58 W118 | V50-A54 PolarHBondContact O-N 3.16Å; V50-A54 VanDerWaalsContact O-N 3.12Å; T51-A54 PolarHBondContact O-N 3.24Å; A52-A54 PolarHBondContact O-N 3.34Å; A54-I56 PolarHBondContact O-N 2.9Å; A54-M57 PolarHBondContact O-N 2.87Å; A54-I58 WeakPolarHBondContact O-CG1 2.97Å; A54-I58 PolarHBondContact O-N 2.76Å; A54-I58 VanDerWaalsContact O-N 3.13Å; A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å |
| 55 | F | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 178.1 | -73.3 | -46.2 | 0 | 0 | 0 | 112.8 | T51 A52 H53 M57 F59 F60 L104 W118 V120 L142 | T51-F55 HydrophobicContact CG2-CD2 3.79Å; T51-F55 HydrophobicContact CG2-CE2 3.46Å; T51-F55 VanDerWaalsContact CG2-CE2 3.46Å; T51-F55 HydrophobicContact CG2-CZ 4.48Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.49Å; T51-F55 PolarHBondContact O-N 3.48Å; T51-F55 VanDerWaalsContact O-N 3.16Å; A52-F55 PolarHBondContact O-N 3.37Å; H53-F55 PolarHBondContact O-N 3.44Å; F55-M57 PolarHBondContact O-N 3.49Å; F55-F59 AromaticContact CD1-CD2 3.85Å; F55-F59 HydrophobicContact CD1-CD2 3.85Å; F55-F59 AromaticContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CE1-CE2 4.22Å; F55-F59 WeakPolarHBondContact O-CB 3.22Å; F55-F59 PolarHBondContact O-N 2.9Å; F55-F60 WeakPolarHBondContact O-CD2 3.24Å; F55-L104 HydrophobicContact CB-CD1 4.21Å; F55-L104 HydrophobicContact CB-CD2 3.66Å; F55-L104 HydrophobicContact CD2-CD1 3.86Å; F55-L104 HydrophobicContact CG-CD1 4.4Å; F55-W118 HydrophobicContact CD1-CB 4.48Å; F55-W118 HydrophobicContact CE1-CB 4.15Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.29Å; F55-W118 WeakPolarHBondContact CZ-O 3.25Å; F55-V120 HydrophobicContact CE2-CG2 4.21Å; F55-V120 HydrophobicContact CZ-CG2 3.59Å; F55-L142 HydrophobicContact CD1-CD1 4.46Å; F55-L142 HydrophobicContact CD1-CD2 3.69Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.79Å; F55-L142 HydrophobicContact CE1-CG 4.32Å; F55-L142 HydrophobicContact CG-CD2 4.31Å; F55-L142 HydrophobicContact CZ-CD1 3.77Å; F55-L142 HydrophobicContact CZ-CD2 4.45Å |
| 56 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -61.2 | -46.8 | 178.4 | -69.7 | 171.9 | 0 | 0 | 0 | 110.8 | A18 V21 L25 A52 H53 A54 I58 F60 M61 L101 L104 L105 | A18-I56 HydrophobicContact CB-CG2 4.39Å; A18-I56 WeakPolarHBondContact O-CG2 3.36Å; V21-I56 HydrophobicContact CG1-CD1 3.95Å; L25-I56 HydrophobicContact CD1-CD1 3.85Å; A52-I56 WeakPolarHBondContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 2.94Å; H53-I56 PolarHBondContact O-N 3.1Å; A54-I56 PolarHBondContact O-N 2.9Å; I56-I58 PolarHBondContact O-N 2.87Å; I56-F60 HydrophobicContact CG2-CB 4.46Å; I56-F60 CarbonylContact O-C 3.37Å; I56-F60 WeakPolarHBondContact O-CA 3.49Å; I56-F60 WeakPolarHBondContact O-CB 3.33Å; I56-F60 PolarHBondContact O-N 2.92Å; I56-M61 PolarHBondContact O-N 3.44Å; I56-L101 HydrophobicContact CD1-CD1 4.22Å; I56-L101 HydrophobicContact CG1-CD1 3.84Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.69Å; I56-L105 HydrophobicContact CD1-CD2 4.11Å |
| 57 | M | 98.6 | Very high | 98.3 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 20% | 0.202 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -65.3 | -41.5 | -176.8 | -65.5 | -56.3 | -75.4 | 0 | 0 | 112.2 | H53 A54 F55 M61 V62 | H53-M57 WeakPolarHBondContact CE1-CG 3.26Å; H53-M57 VanDerWaalsContact O-CG 3.24Å; H53-M57 WeakPolarHBondContact O-CG 3.29Å; H53-M57 PolarHBondContact O-N 3.33Å; A54-M57 PolarHBondContact O-N 2.87Å; F55-M57 PolarHBondContact O-N 3.49Å; M57-M61 HydrophobicContact CE-CE 3.39Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.49Å; M57-M61 HydrophobicContact SD-CE 4.3Å; M57-M61 HydrophobicContact SD-SD 4.01Å; M57-V62 WeakPolarHBondContact O-CG2 3.29Å; M57-V62 PolarHBondContact O-N 2.72Å |
| 58 | I | 97.4 | Very high | 98.3 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -79 | -61.7 | -178.2 | -62.6 | 172.2 | 0 | 0 | 0 | 110.7 | A54 I56 M63 W118 | A54-I58 WeakPolarHBondContact O-CG1 2.97Å; A54-I58 PolarHBondContact O-N 2.76Å; A54-I58 VanDerWaalsContact O-N 3.13Å; I56-I58 PolarHBondContact O-N 2.87Å; I58-M63 HydrophobicContact CG2-CE 4.07Å; I58-M63 PolarHBondContact O-N 3.14Å; I58-M63 VanDerWaalsContact O-N 3.1Å; I58-W118 HydrophobicContact CD1-CE3 4.26Å; I58-W118 HydrophobicContact CD1-CZ3 4.25Å |
| 59 | F | 97.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -83.3 | -21.3 | -168.2 | -64.3 | -88.9 | 0 | 0 | 0 | 114.3 | F55 M63 P64 L142 A145 F230 | F55-F59 AromaticContact CD1-CD2 3.85Å; F55-F59 HydrophobicContact CD1-CD2 3.85Å; F55-F59 AromaticContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CE1-CE2 4.22Å; F55-F59 WeakPolarHBondContact O-CB 3.22Å; F55-F59 PolarHBondContact O-N 2.9Å; F59-M63 HydrophobicContact CB-CE 4.05Å; F59-M63 HydrophobicContact CD1-CE 3.06Å; F59-M63 HydrophobicContact CE1-CE 3.49Å; F59-M63 VanDerWaalsContact CE1-CE 3.49Å; F59-M63 HydrophobicContact CG-CE 3.66Å; F59-M63 HydrophobicContact CZ-CE 4.4Å; F59-P64 VanDerWaalsContact O-CD 3.29Å; F59-P64 WeakPolarHBondContact O-CD 3.34Å; F59-P64 WeakPolarHBondContact O-CG 3.22Å; F59-L142 HydrophobicContact CD1-CD2 4.49Å; F59-L142 HydrophobicContact CD2-CD2 4.01Å; F59-L142 HydrophobicContact CE2-CD2 4.05Å; F59-L142 HydrophobicContact CG-CD2 4.26Å; F59-L142 HydrophobicContact CZ-CD2 4.35Å; F59-A145 HydrophobicContact CB-CB 4.42Å; F59-F230 HydrophobicContact CE1-CZ 4.02Å; F59-F230 HydrophobicContact CZ-CE1 4.16Å; F59-F230 AromaticContact CZ-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CZ 3.86Å |
| 60 | F | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -116.5 | -14.7 | -174.4 | -61 | -83.1 | 0 | 0 | 0 | 114.1 | G15 A18 F55 I56 P64 A100 L101 L104 S141 A145 | G15-F60 WeakPolarHBondContact CA-O 3.37Å; A18-F60 HydrophobicContact CB-CB 3.88Å; A18-F60 WeakPolarHBondContact CB-O 3.49Å; F55-F60 WeakPolarHBondContact O-CD2 3.24Å; I56-F60 HydrophobicContact CG2-CB 4.46Å; I56-F60 CarbonylContact O-C 3.37Å; I56-F60 WeakPolarHBondContact O-CA 3.49Å; I56-F60 WeakPolarHBondContact O-CB 3.33Å; I56-F60 PolarHBondContact O-N 2.92Å; F60-P64 WeakPolarHBondContact O-CG 3.11Å; F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.82Å; F60-L101 HydrophobicContact CB-CD1 4.43Å; F60-L101 HydrophobicContact CD1-CB 3.7Å; F60-L101 HydrophobicContact CD1-CD1 4.16Å; F60-L101 HydrophobicContact CD1-CD2 4.43Å; F60-L101 HydrophobicContact CD1-CG 4.31Å; F60-L101 HydrophobicContact CD2-CD1 4.14Å; F60-L101 HydrophobicContact CE1-CB 3.65Å; F60-L101 HydrophobicContact CE1-CD1 4.48Å; F60-L101 VanDerWaalsContact CE1-N 3.3Å; F60-L101 HydrophobicContact CE2-CD1 4.46Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.97Å; F60-L101 HydrophobicContact CZ-CB 4.3Å; F60-L104 HydrophobicContact CD2-CD2 4.14Å; F60-L104 HydrophobicContact CE2-CD2 3.79Å; F60-S141 WeakPolarHBondContact CZ-OG 3.4Å; F60-A145 HydrophobicContact CZ-CB 4.16Å |
| 61 | M | 98.5 | Very high | 98.2 | Very high | 42 Ų | 42 | 26.3 Ų | 26.3 | 21% | 0.207 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -112.8 | -69.2 | 173.7 | -174.2 | -164.5 | 78.9 | 0 | 0 | 112.2 | G19 I56 M57 I65 | G19-M61 VanDerWaalsContact CA-SD 3.59Å; I56-M61 PolarHBondContact O-N 3.44Å; M57-M61 HydrophobicContact CE-CE 3.39Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.49Å; M57-M61 HydrophobicContact SD-CE 4.3Å; M57-M61 HydrophobicContact SD-SD 4.01Å; M61-I65 HydrophobicContact CG-CD1 3.76Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.28Å; M61-I65 PolarHBondContact O-N 2.71Å |
| 62 | V | 98.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 26.2 Ų | 26.2 | 44% | 0.442 | 14% | 0.137 | S | C | . | . | I | π-helix | trans | -60.5 | -56 | -171.3 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | M57 I65 M66 | M57-V62 WeakPolarHBondContact O-CG2 3.29Å; M57-V62 PolarHBondContact O-N 2.72Å; V62-I65 PolarHBondContact O-N 3.19Å; V62-M66 HydrophobicContact CG1-CG 4.26Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.49Å; V62-M66 WeakPolarHBondContact O-CG 3.42Å; V62-M66 PolarHBondContact O-N 3.22Å |
| 63 | M | 97.2 | Very high | 98.2 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | -179.6 | -90.2 | -165.4 | -81.4 | 0 | 0 | 112.7 | I58 F59 I65 I67 G68 L187 E234 | I58-M63 HydrophobicContact CG2-CE 4.07Å; I58-M63 PolarHBondContact O-N 3.14Å; I58-M63 VanDerWaalsContact O-N 3.1Å; F59-M63 HydrophobicContact CB-CE 4.05Å; F59-M63 HydrophobicContact CD1-CE 3.06Å; F59-M63 HydrophobicContact CE1-CE 3.49Å; F59-M63 VanDerWaalsContact CE1-CE 3.49Å; F59-M63 HydrophobicContact CG-CE 3.66Å; F59-M63 HydrophobicContact CZ-CE 4.4Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-I65 PolarHBondContact O-N 2.83Å; M63-I67 WeakPolarHBondContact O-CB 3.37Å; M63-I67 PolarHBondContact O-N 3.22Å; M63-G68 PolarHBondContact O-N 3.25Å; M63-G68 VanDerWaalsContact O-N 3.16Å; M63-L187 HydrophobicContact SD-CD2 4.32Å; M63-E234 WeakPolarHBondContact CE-OE1 3.45Å |
| 64 | P | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -59 | -38.7 | 176.2 | -33.4 | 42.4 | 0 | 0 | 0 | 114.3 | Y11 F59 F60 G68 G69 L97 | Y11-P64 HydrophobicContact CD1-CB 3.99Å; F59-P64 VanDerWaalsContact O-CD 3.29Å; F59-P64 WeakPolarHBondContact O-CD 3.34Å; F59-P64 WeakPolarHBondContact O-CG 3.22Å; F60-P64 WeakPolarHBondContact O-CG 3.11Å; P64-G68 CarbonylContact O-C 3.3Å; P64-G68 VanDerWaalsContact O-C 3.3Å; P64-G68 WeakPolarHBondContact O-CA 3.48Å; P64-G68 PolarHBondContact O-N 3.49Å; P64-G69 PolarHBondContact O-N 3.29Å; P64-L97 HydrophobicContact CB-CD1 4.02Å; P64-L97 HydrophobicContact CG-CD1 3.7Å |
| 65 | I | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 20% | 0.2 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -74.2 | -50.6 | 179.7 | -69 | 174.4 | 0 | 0 | 0 | 110.9 | F12 M61 V62 M63 G69 F70 | F12-I65 HydrophobicContact CD1-CG2 4.1Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; M61-I65 HydrophobicContact CG-CD1 3.76Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.28Å; M61-I65 PolarHBondContact O-N 2.71Å; V62-I65 PolarHBondContact O-N 3.19Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-I65 PolarHBondContact O-N 2.83Å; I65-G69 WeakPolarHBondContact O-CA 3.49Å; I65-G69 PolarHBondContact O-N 3.41Å; I65-F70 HydrophobicContact CG2-CD2 4.28Å; I65-F70 HydrophobicContact CG2-CE2 4.07Å; I65-F70 WeakPolarHBondContact O-CD2 3.32Å; I65-F70 PolarHBondContact O-N 2.94Å |
| 66 | M | 97.8 | Very high | 98.2 | Very high | 93 Ų | 93 | 29.5 Ų | 29.5 | 46% | 0.458 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -75.7 | -48.9 | -170.5 | -64.4 | -56.8 | -66.6 | 0 | 0 | 112.2 | V62 F70 G71 | V62-M66 HydrophobicContact CG1-CG 4.26Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.49Å; V62-M66 WeakPolarHBondContact O-CG 3.42Å; V62-M66 PolarHBondContact O-N 3.22Å; M66-F70 HydrophobicContact SD-CD2 4.07Å; M66-F70 HydrophobicContact SD-CE2 4.25Å; M66-G71 PolarHBondContact O-N 3.42Å |
| 67 | I | 97.1 | Very high | 98.2 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -92.8 | -46.1 | -177.3 | -55.9 | -56.3 | 0 | 0 | 0 | 110.3 | M63 G71 F156 T183 | M63-I67 WeakPolarHBondContact O-CB 3.37Å; M63-I67 PolarHBondContact O-N 3.22Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.34Å; I67-G71 PolarHBondContact O-N 2.99Å; I67-F156 HydrophobicContact CG2-CD2 4.22Å; I67-F156 HydrophobicContact CG2-CE2 3.76Å; I67-F156 WeakPolarHBondContact O-CE2 3.22Å; I67-F156 VanDerWaalsContact O-CZ 3.28Å; I67-F156 WeakPolarHBondContact O-CZ 3.44Å; I67-T183 HydrophobicContact CD1-CG2 3.66Å; I67-T183 HydrophobicContact CG1-CG2 4.08Å |
| 68 | G | 97.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -67.6 | -55.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y11 M63 P64 N72 | Y11-G68 WeakPolarHBondContact CD2-O 3.35Å; Y11-G68 VanDerWaalsContact CG-C 3.49Å; M63-G68 PolarHBondContact O-N 3.25Å; M63-G68 VanDerWaalsContact O-N 3.16Å; P64-G68 CarbonylContact O-C 3.3Å; P64-G68 VanDerWaalsContact O-C 3.3Å; P64-G68 WeakPolarHBondContact O-CA 3.48Å; P64-G68 PolarHBondContact O-N 3.49Å; G68-N72 WeakPolarHBondContact O-CB 3.43Å; G68-N72 PolarHBondContact O-N 3.42Å; G68-N72 PolarHBondContact O-ND2 3.31Å |
| 69 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -75.2 | -69 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | P64 I65 G71 N72 W73 | P64-G69 PolarHBondContact O-N 3.29Å; I65-G69 WeakPolarHBondContact O-CA 3.49Å; I65-G69 PolarHBondContact O-N 3.41Å; G69-G71 PolarHBondContact O-N 3.1Å; G69-N72 PolarHBondContact O-N 2.85Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.31Å; G69-W73 PolarHBondContact O-N 2.76Å |
| 70 | F | 98.7 | Very high | 98.2 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 36% | 0.355 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -63.9 | -41.1 | -178.1 | -74.3 | -66.5 | 0 | 0 | 0 | 112.2 | F12 I65 M66 W73 L74 F176 | F12-F70 HydrophobicContact CE1-CD1 4.08Å; F12-F70 AromaticContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CE1 4.11Å; F12-F70 AromaticContact CE1-CE2 3.75Å; F12-F70 HydrophobicContact CE1-CE2 3.75Å; F12-F70 AromaticContact CE1-CG 3.86Å; F12-F70 HydrophobicContact CE1-CG 3.86Å; F12-F70 AromaticContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CZ-CB 4.25Å; F12-F70 AromaticContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD2 4Å; F12-F70 AromaticContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE2 4.23Å; F12-F70 AromaticContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CZ 4.13Å; I65-F70 HydrophobicContact CG2-CD2 4.28Å; I65-F70 HydrophobicContact CG2-CE2 4.07Å; I65-F70 WeakPolarHBondContact O-CD2 3.32Å; I65-F70 PolarHBondContact O-N 2.94Å; M66-F70 HydrophobicContact SD-CD2 4.07Å; M66-F70 HydrophobicContact SD-CE2 4.25Å; F70-W73 PolarHBondContact O-N 3.46Å; F70-L74 HydrophobicContact CB-CD1 4.34Å; F70-L74 HydrophobicContact CD1-CD1 3.8Å; F70-L74 VanDerWaalsContact O-CB 3.29Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.15Å; F70-F176 HydrophobicContact CB-CE2 4.33Å; F70-F176 HydrophobicContact CB-CZ 3.75Å |
| 71 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -56.6 | -54.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M66 I67 G69 W73 V75 F156 | M66-G71 PolarHBondContact O-N 3.42Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.34Å; I67-G71 PolarHBondContact O-N 2.99Å; G69-G71 PolarHBondContact O-N 3.1Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.41Å; G71-V75 WeakPolarHBondContact O-CB 3.43Å; G71-V75 VanDerWaalsContact O-CG2 3.3Å; G71-V75 WeakPolarHBondContact O-CG2 3.24Å; G71-V75 PolarHBondContact O-N 3.4Å; G71-F156 WeakPolarHBondContact O-CE1 3.45Å |
| 72 | N | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 179.9 | -80.1 | -68.7 | 0 | 0 | 0 | 112.9 | H4 G68 G69 P76 N90 | H4-N72 PolarHBondContact ND1-O 3.4Å; G68-N72 WeakPolarHBondContact O-CB 3.43Å; G68-N72 PolarHBondContact O-N 3.42Å; G68-N72 PolarHBondContact O-ND2 3.31Å; G69-N72 PolarHBondContact O-N 2.85Å; N72-P76 WeakPolarHBondContact O-CD 3.29Å; N72-N90 PolarHBondContact ND2-OD1 2.85Å; N72-N90 PolarHBondContact OD1-ND2 3.36Å; N72-N90 PolarHBondContact OD1-OD1 3.16Å |
| 73 | W | 98.2 | Very high | 98 | Very high | 90 Ų | 90 | 36.3 Ų | 36.3 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.2 | -46.1 | -177.7 | -164.8 | -86.3 | 0 | 0 | 0 | 112.4 | K5 T9 F12 G69 F70 G71 L77 | K5-W73 HydrophobicContact CB-CE3 3.87Å; K5-W73 HydrophobicContact CB-CH2 4.07Å; K5-W73 HydrophobicContact CB-CZ3 3.58Å; K5-W73 HydrophobicContact CG-CE3 4.43Å; K5-W73 HydrophobicContact CG-CZ3 4.43Å; K5-W73 WeakPolarHBondContact O-CZ3 3.42Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.37Å; F12-W73 HydrophobicContact CE2-CB 4.33Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.31Å; G69-W73 PolarHBondContact O-N 2.76Å; F70-W73 PolarHBondContact O-N 3.46Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.41Å; W73-L77 VanDerWaalsContact O-CD1 3.27Å; W73-L77 WeakPolarHBondContact O-CD1 3.12Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å |
| 74 | L | 98.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -98.5 | -35 | -166.6 | -62.5 | 174.6 | 0 | 0 | 0 | 113.9 | F70 L77 M78 F176 | F70-L74 HydrophobicContact CB-CD1 4.34Å; F70-L74 HydrophobicContact CD1-CD1 3.8Å; F70-L74 VanDerWaalsContact O-CB 3.29Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.15Å; L74-L77 PolarHBondContact O-N 3.02Å; L74-M78 HydrophobicContact CB-CE 4.08Å; L74-M78 HydrophobicContact CB-SD 4.32Å; L74-M78 HydrophobicContact CD1-CE 4.2Å; L74-M78 HydrophobicContact CD2-CE 4.45Å; L74-M78 HydrophobicContact CG-CE 4.49Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.17Å; L74-M78 PolarHBondContact O-N 2.83Å; L74-F176 HydrophobicContact CB-CD1 4.22Å; L74-F176 HydrophobicContact CB-CE1 3.79Å; L74-F176 HydrophobicContact CD1-CD1 4.45Å; L74-F176 HydrophobicContact CD1-CE1 4.07Å; L74-F176 HydrophobicContact CD1-CZ 4.32Å |
| 75 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -50.5 | -172.6 | 171 | 0 | 0 | 0 | 0 | 112.2 | G71 L77 M78 L79 F156 V160 F176 V177 V180 | G71-V75 WeakPolarHBondContact O-CB 3.43Å; G71-V75 VanDerWaalsContact O-CG2 3.3Å; G71-V75 WeakPolarHBondContact O-CG2 3.24Å; G71-V75 PolarHBondContact O-N 3.4Å; V75-L77 VanDerWaalsContact C-N 3.3Å; V75-L77 PolarHBondContact O-N 3.39Å; V75-M78 PolarHBondContact O-N 3.45Å; V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 HydrophobicContact CG1-CG 4.5Å; V75-L79 WeakPolarHBondContact O-CB 3.25Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 2.9Å; V75-L79 VanDerWaalsContact O-N 3.11Å; V75-F156 HydrophobicContact CB-CD1 4.48Å; V75-F156 HydrophobicContact CB-CE1 4.38Å; V75-F156 HydrophobicContact CG1-CD1 4.46Å; V75-F156 HydrophobicContact CG2-CD1 4.4Å; V75-F156 HydrophobicContact CG2-CE1 4.31Å; V75-V160 HydrophobicContact CG1-CG2 3.77Å; V75-F176 HydrophobicContact CG2-CE1 4.05Å; V75-V177 HydrophobicContact CG1-CG1 4.34Å; V75-V180 HydrophobicContact CG2-CB 4.14Å; V75-V180 HydrophobicContact CG2-CG1 4.04Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å |
| 76 | P | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 176.9 | -27.4 | 38.3 | 0 | 0 | 0 | 112.6 | H4 N72 L79 G80 A81 M84 | H4-P76 HydrophobicContact CB-CG 4.31Å; N72-P76 WeakPolarHBondContact O-CD 3.29Å; P76-L79 PolarHBondContact O-N 3.46Å; P76-G80 PolarHBondContact O-N 3.49Å; P76-A81 HydrophobicContact CB-CB 4.2Å; P76-A81 PolarHBondContact O-N 3.39Å; P76-M84 HydrophobicContact CG-CG 4.11Å; P76-M84 HydrophobicContact CG-SD 3.42Å; P76-M84 WeakPolarHBondContact CG-SD 3.32Å |
| 77 | L | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 36.4 Ų | 36.4 | 44% | 0.44 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -44.8 | -179.9 | -62.6 | -179.3 | 0 | 0 | 0 | 112.2 | W73 L74 V75 L79 G80 | W73-L77 VanDerWaalsContact O-CD1 3.27Å; W73-L77 WeakPolarHBondContact O-CD1 3.12Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å; L74-L77 PolarHBondContact O-N 3.02Å; V75-L77 VanDerWaalsContact C-N 3.3Å; V75-L77 PolarHBondContact O-N 3.39Å; L77-L79 PolarHBondContact O-N 2.84Å; L77-G80 PolarHBondContact O-N 2.9Å |
| 78 | M | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.8 | -23.1 | 179.4 | -75 | -176.1 | 178.8 | 0 | 0 | 113 | L74 V75 P174 F176 V177 | L74-M78 HydrophobicContact CB-CE 4.08Å; L74-M78 HydrophobicContact CB-SD 4.32Å; L74-M78 HydrophobicContact CD1-CE 4.2Å; L74-M78 HydrophobicContact CD2-CE 4.45Å; L74-M78 HydrophobicContact CG-CE 4.49Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.17Å; L74-M78 PolarHBondContact O-N 2.83Å; V75-M78 PolarHBondContact O-N 3.45Å; M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.25Å; M78-F176 HydrophobicContact CE-CB 4.39Å; M78-F176 HydrophobicContact CE-CD1 4.15Å; M78-F176 HydrophobicContact CE-CG 4.5Å; M78-F176 HydrophobicContact SD-CB 4.08Å; M78-F176 HydrophobicContact SD-CD1 3.7Å; M78-F176 HydrophobicContact SD-CG 4.3Å; M78-V177 HydrophobicContact CB-CG2 3.71Å; M78-V177 HydrophobicContact SD-CG2 4.06Å |
| 79 | L | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -93.3 | -7.2 | 175.4 | -68.5 | -177.9 | 0 | 0 | 0 | 113.9 | V75 P76 L77 A81 V160 R164 S165 M173 V177 | V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 HydrophobicContact CG1-CG 4.5Å; V75-L79 WeakPolarHBondContact O-CB 3.25Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 2.9Å; V75-L79 VanDerWaalsContact O-N 3.11Å; P76-L79 PolarHBondContact O-N 3.46Å; L77-L79 PolarHBondContact O-N 2.84Å; L79-A81 HydrophobicContact CB-CB 4.43Å; L79-A81 PolarHBondContact O-N 3.43Å; L79-V160 HydrophobicContact CD1-CB 4.27Å; L79-V160 HydrophobicContact CD1-CG2 4Å; L79-R164 HydrophobicContact CD1-CG 4.28Å; L79-R164 HydrophobicContact CD2-CG 3.81Å; L79-R164 HydrophobicContact CG-CG 4.49Å; L79-S165 PolarHBondContact O-N 2.99Å; L79-S165 PolarHBondContact O-OG 3.5Å; L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.34Å; L79-V177 HydrophobicContact CD1-CG1 4.25Å; L79-V177 HydrophobicContact CD2-CG1 3.97Å; L79-V177 HydrophobicContact CD2-CG2 4.39Å; L79-V177 HydrophobicContact CG-CG1 4.22Å; L79-V177 HydrophobicContact CG-CG2 4.43Å |
| 80 | G | 97.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 21.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P76 L77 | P76-G80 PolarHBondContact O-N 3.49Å; L77-G80 PolarHBondContact O-N 2.9Å |
| 81 | A | 97.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 45 Ų | 45 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | trans | -80.8 | 143.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P76 L79 M163 | P76-A81 HydrophobicContact CB-CB 4.2Å; P76-A81 PolarHBondContact O-N 3.39Å; L79-A81 HydrophobicContact CB-CB 4.43Å; L79-A81 PolarHBondContact O-N 3.43Å; A81-M163 HydrophobicContact CB-CB 3.95Å; A81-M163 WeakPolarHBondContact CB-O 3.36Å | ||
| 82 | P | 96.8 | Very high | 98.2 | Very high | 112 Ų | 112 | 49.9 Ų | 49.9 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -70.6 | -29.9 | 179 | 27.3 | -34.6 | 0 | 0 | 0 | 113.5 | M163 | P82-M163 HydrophobicContact CG-CE 4.28Š|
| 83 | D | 97.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -163.2 | -174.4 | 177.9 | -150.4 | -28.5 | 0 | 0 | 0 | 109.1 | H4 M163 | H4-D83 VanDerWaalsContact CB-OD1 3.22Å; H4-D83 WeakPolarHBondContact CB-OD1 3.43Å; H4-D83 IonicContact CD2-OD1 3.36Å; H4-D83 PolarHBondContact CD2-OD1 3.24Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.94Å; D83-M163 WeakPolarHBondContact O-CE 3.34Å |
| 84 | M | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | trans | -72.4 | 155.7 | 169 | -61.1 | -66.7 | -72.6 | 0 | 0 | 112 | H4 P76 F86 P87 N155 F156 T159 | H4-M84 HydrophobicContact CB-CG 3.79Å; P76-M84 HydrophobicContact CG-CG 4.11Å; P76-M84 HydrophobicContact CG-SD 3.42Å; P76-M84 WeakPolarHBondContact CG-SD 3.32Å; M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.46Å; M84-P87 WeakPolarHBondContact O-CD 3.49Å; M84-P87 WeakPolarHBondContact O-CG 3.46Å; M84-N155 HydrophobicContact CE-CB 4.39Å; M84-N155 WeakPolarHBondContact CE-ND2 3.35Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.48Å; M84-F156 VanDerWaalsContact CE-CE1 3.48Å; M84-F156 HydrophobicContact CE-CG 4.11Å; M84-F156 HydrophobicContact CE-CZ 4.2Å; M84-F156 HydrophobicContact SD-CD1 4.46Å; M84-F156 HydrophobicContact SD-CE1 4.22Å; M84-T159 HydrophobicContact SD-CG2 4.07Å | ||
| 85 | A | 98.3 | Very high | 98.2 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -62.1 | -37.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P87 N155 T158 T159 M163 | A85-P87 WeakPolarHBondContact O-CD 3.26Å; A85-N155 PolarHBondContact N-OD1 2.98Å; A85-T158 HydrophobicContact CB-CG2 3.68Å; A85-T159 WeakPolarHBondContact CB-OG1 3.45Å; A85-T159 PolarHBondContact N-OG1 3.11Å; A85-M163 WeakPolarHBondContact CA-SD 3.16Å; A85-M163 HydrophobicContact CB-SD 3.7Å; A85-M163 PolarHBondContact N-SD 2.7Å |
| 86 | F | 98.5 | Very high | 98.2 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -122.7 | 76.2 | 178.7 | -52.7 | -55.5 | 0 | 0 | 0 | 111.9 | M84 R88 M89 N90 V154 N155 T158 | M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.46Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 3.16Å; F86-M89 HydrophobicContact CB-CB 3.67Å; F86-M89 HydrophobicContact CB-CE 4.45Å; F86-M89 HydrophobicContact CB-SD 4.28Å; F86-M89 HydrophobicContact CD2-CE 4.2Å; F86-M89 HydrophobicContact CD2-SD 4.09Å; F86-M89 HydrophobicContact CG-CE 4.34Å; F86-M89 HydrophobicContact CG-SD 4.47Å; F86-M89 PolarHBondContact O-N 3.44Å; F86-N90 PolarHBondContact O-N 3.04Å; F86-V154 HydrophobicContact CE2-CG1 4.25Å; F86-N155 HydrophobicContact CD2-CB 4.3Å; F86-N155 PolarHBondContact N-OD1 3.46Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.43Å; F86-T158 HydrophobicContact CZ-CG2 3.72Å |
| 87 | P | 98.3 | Very high | 98.2 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 25% | 0.253 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -35.4 | -173.1 | -27.2 | 36.1 | 0 | 0 | 0 | 114.8 | T2 M84 A85 N90 N91 | T2-P87 WeakPolarHBondContact O-CB 3.15Å; M84-P87 WeakPolarHBondContact O-CD 3.49Å; M84-P87 WeakPolarHBondContact O-CG 3.46Å; A85-P87 WeakPolarHBondContact O-CD 3.26Å; P87-N90 WeakPolarHBondContact O-CB 3.42Å; P87-N91 PolarHBondContact O-N 3.32Å; P87-N91 VanDerWaalsContact O-N 3.08Å |
| 88 | R | 98.4 | Very high | 98.2 | Very high | 202 Ų | 202 | 48.8 Ų | 48.8 | 76% | 0.762 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -75.9 | -37.9 | 178.4 | -66.8 | -177.6 | -176.1 | 172.7 | 1.7 | 112.7 | T2 F86 N90 N91 M92 | T2-R88 HydrophobicContact CG2-CG 3.98Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 3.16Å; R88-N90 PolarHBondContact O-N 3.18Å; R88-N91 PolarHBondContact O-N 3.21Å; R88-M92 PolarHBondContact O-N 2.91Å |
| 89 | M | 98.1 | Very high | 98.2 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 29% | 0.286 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 172.2 | -175.2 | -173.5 | -67.8 | 0 | 0 | 110 | F86 M92 S93 L151 V154 | F86-M89 HydrophobicContact CB-CB 3.67Å; F86-M89 HydrophobicContact CB-CE 4.45Å; F86-M89 HydrophobicContact CB-SD 4.28Å; F86-M89 HydrophobicContact CD2-CE 4.2Å; F86-M89 HydrophobicContact CD2-SD 4.09Å; F86-M89 HydrophobicContact CG-CE 4.34Å; F86-M89 HydrophobicContact CG-SD 4.47Å; F86-M89 PolarHBondContact O-N 3.44Å; M89-M92 PolarHBondContact O-N 3.31Å; M89-S93 PolarHBondContact O-N 2.95Å; M89-L151 HydrophobicContact CG-CB 3.94Å; M89-L151 HydrophobicContact CG-CD1 4.48Å; M89-L151 HydrophobicContact CG-CD2 3.88Å; M89-L151 HydrophobicContact CG-CG 4.31Å; M89-L151 HydrophobicContact SD-CB 4.36Å; M89-L151 HydrophobicContact SD-CD2 3.98Å; M89-V154 HydrophobicContact SD-CG1 4.47Å |
| 90 | N | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 172.9 | -160.5 | 31 | 0 | 0 | 0 | 112.3 | I7 N72 F86 P87 R88 M92 S93 F94 N155 | I7-N90 HydrophobicContact CD1-CB 4.11Å; N72-N90 PolarHBondContact ND2-OD1 2.85Å; N72-N90 PolarHBondContact OD1-ND2 3.36Å; N72-N90 PolarHBondContact OD1-OD1 3.16Å; F86-N90 PolarHBondContact O-N 3.04Å; P87-N90 WeakPolarHBondContact O-CB 3.42Å; R88-N90 PolarHBondContact O-N 3.18Å; N90-M92 VanDerWaalsContact C-N 3.33Å; N90-M92 PolarHBondContact O-N 2.96Å; N90-S93 PolarHBondContact O-N 3.46Å; N90-S93 PolarHBondContact O-OG 3.2Å; N90-F94 PolarHBondContact O-N 2.88Å; N90-N155 WeakPolarHBondContact CB-ND2 3.48Å |
| 91 | N | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 175.9 | -179.2 | 69.8 | 0 | 0 | 0 | 111.4 | S1 I7 P87 R88 S93 F94 W95 | S1-N91 PolarHBondContact N-OD1 2.64Å; S1-N91 VanDerWaalsContact O-CB 3.29Å; S1-N91 WeakPolarHBondContact O-CB 3.43Å; S1-N91 PolarHBondContact O-OD1 2.99Å; I7-N91 HydrophobicContact CD1-CB 3.89Å; P87-N91 PolarHBondContact O-N 3.32Å; P87-N91 VanDerWaalsContact O-N 3.08Å; R88-N91 PolarHBondContact O-N 3.21Å; N91-S93 VanDerWaalsContact C-N 3.32Å; N91-S93 PolarHBondContact O-N 3.37Å; N91-F94 PolarHBondContact O-N 3.36Å; N91-W95 PolarHBondContact O-N 2.72Å; N91-W95 VanDerWaalsContact O-N 3.16Å; N91-W95 PolarHBondContact OD1-NE1 2.71Å; N91-W95 VanDerWaalsContact OD1-NE1 3.12Å |
| 92 | M | 98.3 | Very high | 98.4 | Very high | 102 Ų | 102 | 48.5 Ų | 48.5 | 50% | 0.502 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 175.9 | -176.7 | 176.4 | 177.4 | 0 | 0 | 112 | R88 M89 N90 F94 W95 L96 L151 | R88-M92 PolarHBondContact O-N 2.91Å; M89-M92 PolarHBondContact O-N 3.31Å; N90-M92 VanDerWaalsContact C-N 3.33Å; N90-M92 PolarHBondContact O-N 2.96Å; M92-F94 VanDerWaalsContact C-N 3.28Å; M92-F94 PolarHBondContact O-N 3.18Å; M92-W95 PolarHBondContact O-N 3.04Å; M92-L96 HydrophobicContact CE-CD1 4.45Å; M92-L96 HydrophobicContact CG-CD1 4.44Å; M92-L96 WeakPolarHBondContact O-CG 3.39Å; M92-L96 PolarHBondContact O-N 3.49Å; M92-L151 HydrophobicContact CE-CD1 4.41Å; M92-L151 HydrophobicContact CG-CD1 4.12Å; M92-L151 HydrophobicContact SD-CD1 4.12Å |
| 93 | S | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.7 | -45.4 | 177.6 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | Y11 M89 N90 N91 S148 | Y11-S93 VanDerWaalsContact OH-C 3.22Å; Y11-S93 WeakPolarHBondContact OH-CB 3.4Å; Y11-S93 PolarHBondContact OH-OG 3.27Å; M89-S93 PolarHBondContact O-N 2.95Å; N90-S93 PolarHBondContact O-N 3.46Å; N90-S93 PolarHBondContact O-OG 3.2Å; N91-S93 VanDerWaalsContact C-N 3.32Å; N91-S93 PolarHBondContact O-N 3.37Å; S93-S148 WeakPolarHBondContact CB-O 3.43Å; S93-S148 VanDerWaalsContact O-CB 3.24Å; S93-S148 WeakPolarHBondContact O-CB 3.27Å; S93-S148 PolarHBondContact O-OG 2.97Å |
| 94 | F | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 177.3 | 171.3 | -99.2 | 0 | 0 | 0 | 112.1 | I7 L10 Y11 W14 N90 N91 M92 L96 L97 P98 | I7-F94 HydrophobicContact CG2-CB 4.22Å; L10-F94 VanDerWaalsContact C-CE2 3.46Å; L10-F94 HydrophobicContact CB-CD1 4.29Å; L10-F94 HydrophobicContact CB-CD2 4.06Å; L10-F94 HydrophobicContact CB-CE1 3.92Å; L10-F94 HydrophobicContact CB-CE2 3.67Å; L10-F94 HydrophobicContact CB-CG 4.37Å; L10-F94 HydrophobicContact CB-CZ 3.61Å; L10-F94 HydrophobicContact CD1-CD1 4.16Å; L10-F94 HydrophobicContact CD1-CE1 3.96Å; L10-F94 HydrophobicContact CD1-CZ 4.47Å; L10-F94 HydrophobicContact CD2-CZ 4.44Å; L10-F94 HydrophobicContact CG-CE1 4.37Å; L10-F94 HydrophobicContact CG-CZ 4.39Å; L10-F94 WeakPolarHBondContact O-CE2 3.41Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.37Å; Y11-F94 HydrophobicContact CD2-CD2 4.1Å; Y11-F94 HydrophobicContact CE1-CB 4.38Å; Y11-F94 HydrophobicContact CE1-CD2 4.07Å; Y11-F94 HydrophobicContact CE2-CB 3.75Å; Y11-F94 HydrophobicContact CE2-CD2 4.23Å; Y11-F94 HydrophobicContact CE2-CG 4.46Å; Y11-F94 AromaticContact CG-CD2 3.93Å; Y11-F94 HydrophobicContact CG-CD2 3.93Å; Y11-F94 WeakPolarHBondContact OH-CA 3.41Å; Y11-F94 PolarHBondContact OH-N 3.38Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; W14-F94 HydrophobicContact CB-CE2 3.82Å; W14-F94 HydrophobicContact CB-CZ 4.28Å; W14-F94 HydrophobicContact CG-CE2 4.2Å; N90-F94 PolarHBondContact O-N 2.88Å; N91-F94 PolarHBondContact O-N 3.36Å; M92-F94 VanDerWaalsContact C-N 3.28Å; M92-F94 PolarHBondContact O-N 3.18Å; F94-L96 PolarHBondContact O-N 3.38Å; F94-L96 VanDerWaalsContact O-N 3.11Å; F94-L97 WeakPolarHBondContact O-CB 3.27Å; F94-L97 PolarHBondContact O-N 3.24Å; F94-P98 VanDerWaalsContact O-CD 3.3Å; F94-P98 WeakPolarHBondContact O-CD 3.33Å |
| 95 | W | 98.6 | Very high | 98.5 | Very high | 136 Ų | 136 | 46.2 Ų | 46.2 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.6 | -10.1 | -172.9 | -77.3 | 110.6 | 0 | 0 | 0 | 114.9 | N91 M92 P98 P99 | N91-W95 PolarHBondContact O-N 2.72Å; N91-W95 VanDerWaalsContact O-N 3.16Å; N91-W95 PolarHBondContact OD1-NE1 2.71Å; N91-W95 VanDerWaalsContact OD1-NE1 3.12Å; M92-W95 PolarHBondContact O-N 3.04Å; W95-P98 HydrophobicContact CE3-CG 4.38Å; W95-P99 WeakPolarHBondContact O-CD 3.48Å |
| 96 | L | 98.7 | Very high | 98.6 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21 | 169.6 | -69.7 | 171.3 | 0 | 0 | 0 | 112.9 | M92 F94 P99 A100 L144 I147 L151 | M92-L96 HydrophobicContact CE-CD1 4.45Å; M92-L96 HydrophobicContact CG-CD1 4.44Å; M92-L96 WeakPolarHBondContact O-CG 3.39Å; M92-L96 PolarHBondContact O-N 3.49Å; F94-L96 PolarHBondContact O-N 3.38Å; F94-L96 VanDerWaalsContact O-N 3.11Å; L96-P99 WeakPolarHBondContact O-CD 3.4Å; L96-P99 WeakPolarHBondContact O-CG 3.46Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 2.84Å; L96-L144 HydrophobicContact CD2-CD2 4.28Å; L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; L96-L151 HydrophobicContact CD1-CD1 4.06Å |
| 97 | L | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.6 | -42.6 | -177.8 | -62.6 | -178.7 | 0 | 0 | 0 | 114.3 | Y11 P64 F94 A100 L101 A145 | Y11-L97 HydrophobicContact CD1-CD1 3.94Å; Y11-L97 HydrophobicContact CE1-CD1 3.5Å; P64-L97 HydrophobicContact CB-CD1 4.02Å; P64-L97 HydrophobicContact CG-CD1 3.7Å; F94-L97 WeakPolarHBondContact O-CB 3.27Å; F94-L97 PolarHBondContact O-N 3.24Å; L97-A100 WeakPolarHBondContact O-CB 3.43Å; L97-A100 PolarHBondContact O-N 2.96Å; L97-L101 PolarHBondContact O-N 2.91Å; L97-A145 HydrophobicContact CD2-CB 4.48Å |
| 98 | P | 98.7 | Very high | 98.5 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 176.5 | -25.5 | 35.2 | 0 | 0 | 0 | 115.6 | W14 F94 W95 A100 S102 | W14-P98 HydrophobicContact CE3-CG 4.47Å; W14-P98 HydrophobicContact CH2-CB 3.91Å; W14-P98 HydrophobicContact CH2-CG 4.2Å; W14-P98 HydrophobicContact CZ2-CB 4.22Å; W14-P98 HydrophobicContact CZ2-CG 4.26Å; W14-P98 HydrophobicContact CZ3-CB 4.29Å; W14-P98 HydrophobicContact CZ3-CG 4.3Å; F94-P98 VanDerWaalsContact O-CD 3.3Å; F94-P98 WeakPolarHBondContact O-CD 3.33Å; W95-P98 HydrophobicContact CE3-CG 4.38Å; P98-A100 VanDerWaalsContact C-N 3.33Å; P98-S102 WeakPolarHBondContact O-CB 3.26Å; P98-S102 PolarHBondContact O-N 3.36Å; P98-S102 PolarHBondContact O-OG 3.17Å |
| 99 | P | 98.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 37% | 0.37 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.5 | -34.7 | 174.1 | 25.3 | -32 | 0 | 0 | 0 | 111.8 | W95 L96 S102 L103 L144 | W95-P99 WeakPolarHBondContact O-CD 3.48Å; L96-P99 WeakPolarHBondContact O-CD 3.4Å; L96-P99 WeakPolarHBondContact O-CG 3.46Å; P99-S102 PolarHBondContact O-N 3.44Å; P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 2.97Å; P99-L144 HydrophobicContact CB-CD1 4.17Å; P99-L144 HydrophobicContact CG-CD1 4.28Å |
| 100 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F60 L96 L97 P98 S102 L103 L104 S141 L144 A145 | F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.82Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 2.84Å; L97-A100 WeakPolarHBondContact O-CB 3.43Å; L97-A100 PolarHBondContact O-N 2.96Å; P98-A100 VanDerWaalsContact C-N 3.33Å; A100-S102 VanDerWaalsContact C-N 3.33Å; A100-S102 PolarHBondContact O-N 3.34Å; A100-L103 PolarHBondContact O-N 3.44Å; A100-L104 PolarHBondContact O-N 3.13Å; A100-L104 VanDerWaalsContact O-N 3.08Å; A100-S141 VanDerWaalsContact O-CB 3.23Å; A100-S141 WeakPolarHBondContact O-CB 3.43Å; A100-S141 PolarHBondContact O-OG 3.14Å; A100-L144 HydrophobicContact CB-CB 3.62Å; A100-L144 HydrophobicContact CB-CD1 4.41Å; A100-A145 HydrophobicContact CB-CB 4.41Å |
| 101 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 178.5 | -176.1 | 53.3 | 0 | 0 | 0 | 111.5 | W14 W17 A18 I56 F60 L97 L103 L104 L105 | W14-L101 HydrophobicContact CH2-CB 4.22Å; W14-L101 HydrophobicContact CH2-CD2 3.79Å; W14-L101 HydrophobicContact CZ2-CB 3.65Å; W14-L101 HydrophobicContact CZ2-CD2 3.41Å; W14-L101 VanDerWaalsContact CZ2-CD2 3.41Å; W14-L101 HydrophobicContact CZ2-CG 4.15Å; W17-L101 HydrophobicContact CE3-CD2 4.26Å; W17-L101 HydrophobicContact CZ3-CD2 3.66Å; A18-L101 HydrophobicContact CB-CD2 3.92Å; I56-L101 HydrophobicContact CD1-CD1 4.22Å; I56-L101 HydrophobicContact CG1-CD1 3.84Å; F60-L101 HydrophobicContact CB-CD1 4.43Å; F60-L101 HydrophobicContact CD1-CB 3.7Å; F60-L101 HydrophobicContact CD1-CD1 4.16Å; F60-L101 HydrophobicContact CD1-CD2 4.43Å; F60-L101 HydrophobicContact CD1-CG 4.31Å; F60-L101 HydrophobicContact CD2-CD1 4.14Å; F60-L101 HydrophobicContact CE1-CB 3.65Å; F60-L101 HydrophobicContact CE1-CD1 4.48Å; F60-L101 VanDerWaalsContact CE1-N 3.3Å; F60-L101 HydrophobicContact CE2-CD1 4.46Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.97Å; F60-L101 HydrophobicContact CZ-CB 4.3Å; L97-L101 PolarHBondContact O-N 2.91Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.12Å; L101-L104 HydrophobicContact CD1-CD2 4.23Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 3.47Å; L101-L104 VanDerWaalsContact O-N 3.15Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.18Å; L101-L105 HydrophobicContact CG-CD1 4.18Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.16Å |
| 102 | S | 98.6 | Very high | 97.9 | Very high | 65 Ų | 65 | 51 Ų | 51 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | P98 P99 A100 L104 L105 V106 | P98-S102 WeakPolarHBondContact O-CB 3.26Å; P98-S102 PolarHBondContact O-N 3.36Å; P98-S102 PolarHBondContact O-OG 3.17Å; P99-S102 PolarHBondContact O-N 3.44Å; A100-S102 VanDerWaalsContact C-N 3.33Å; A100-S102 PolarHBondContact O-N 3.34Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 3.49Å; S102-L105 PolarHBondContact O-N 3.41Å; S102-V106 WeakPolarHBondContact O-CB 3.38Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.38Å; S102-V106 PolarHBondContact O-N 3.42Å |
| 103 | L | 98.8 | Very high | 97.9 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.8 | -72.1 | 169.5 | 0 | 0 | 0 | 112 | P99 A100 L101 V106 S107 L137 F140 L144 | P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 2.97Å; A100-L103 PolarHBondContact O-N 3.44Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.12Å; L103-V106 PolarHBondContact O-N 3.4Å; L103-S107 WeakPolarHBondContact O-CB 3.34Å; L103-S107 PolarHBondContact O-N 3.46Å; L103-L137 HydrophobicContact CD2-CD2 3.8Å; L103-F140 HydrophobicContact CD1-CB 3.94Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å; L103-L144 HydrophobicContact CD1-CG 4.49Å |
| 104 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.7 | -177.9 | 64.6 | 0 | 0 | 0 | 111.8 | F55 I56 F60 A100 L101 S102 S107 S108 S141 | F55-L104 HydrophobicContact CB-CD1 4.21Å; F55-L104 HydrophobicContact CB-CD2 3.66Å; F55-L104 HydrophobicContact CD2-CD1 3.86Å; F55-L104 HydrophobicContact CG-CD1 4.4Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.69Å; F60-L104 HydrophobicContact CD2-CD2 4.14Å; F60-L104 HydrophobicContact CE2-CD2 3.79Å; A100-L104 PolarHBondContact O-N 3.13Å; A100-L104 VanDerWaalsContact O-N 3.08Å; L101-L104 HydrophobicContact CD1-CD2 4.23Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 3.47Å; L101-L104 VanDerWaalsContact O-N 3.15Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 3.49Å; L104-S107 VanDerWaalsContact O-CB 3.28Å; L104-S107 WeakPolarHBondContact O-CB 3.5Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.06Å; L104-S108 PolarHBondContact O-N 3.35Å; L104-S141 WeakPolarHBondContact CB-OG 3.34Å |
| 105 | L | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 178.7 | -66.3 | 176.8 | 0 | 0 | 0 | 110.9 | V21 I56 L101 S102 S107 S108 M109 | V21-L105 HydrophobicContact CG1-CD2 4.41Å; I56-L105 HydrophobicContact CD1-CD2 4.11Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.18Å; L101-L105 HydrophobicContact CG-CD1 4.18Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.16Å; S102-L105 PolarHBondContact O-N 3.41Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.5Å; L105-S108 WeakPolarHBondContact O-CB 3.46Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-S108 PolarHBondContact O-OG 2.99Å; L105-M109 PolarHBondContact O-N 3.43Å |
| 106 | V | 98.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 35% | 0.352 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 174 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | S102 L103 S108 M109 V110 L137 | S102-V106 WeakPolarHBondContact O-CB 3.38Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.38Å; S102-V106 PolarHBondContact O-N 3.42Å; L103-V106 PolarHBondContact O-N 3.4Å; V106-S108 PolarHBondContact O-N 2.59Å; V106-S108 VanDerWaalsContact O-N 3.13Å; V106-M109 HydrophobicContact CG2-CE 4.1Å; V106-M109 PolarHBondContact O-N 2.85Å; V106-V110 HydrophobicContact CG1-CG2 3.6Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.25Å; V106-L137 HydrophobicContact CB-CD1 4.48Å; V106-L137 HydrophobicContact CG1-CD1 3.8Å |
| 107 | S | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.1 | -28.7 | 174.5 | 91.5 | 0 | 0 | 0 | 0 | 113.1 | L103 L104 L105 G113 A114 S134 | L103-S107 WeakPolarHBondContact O-CB 3.34Å; L103-S107 PolarHBondContact O-N 3.46Å; L104-S107 VanDerWaalsContact O-CB 3.28Å; L104-S107 WeakPolarHBondContact O-CB 3.5Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.06Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.5Å; S107-G113 VanDerWaalsContact O-CA 3.25Å; S107-G113 WeakPolarHBondContact O-CA 3.4Å; S107-A114 PolarHBondContact O-N 3.42Å; S107-S134 VanDerWaalsContact CB-O 3.28Å; S107-S134 WeakPolarHBondContact CB-O 3.46Å; S107-S134 VanDerWaalsContact O-CB 3.28Å; S107-S134 WeakPolarHBondContact O-CB 3.39Å |
| 108 | S | 96.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -82.5 | -15.6 | 178.1 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | L104 L105 V106 | L104-S108 PolarHBondContact O-N 3.35Å; L105-S108 WeakPolarHBondContact O-CB 3.46Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-S108 PolarHBondContact O-OG 2.99Å; V106-S108 PolarHBondContact O-N 2.59Å; V106-S108 VanDerWaalsContact O-N 3.13Å |
| 109 | M | 96.3 | Very high | 97.5 | Very high | 136 Ų | 136 | 42.6 Ų | 42.6 | 67% | 0.67 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -108.8 | -13.5 | -175 | -63.3 | -176.1 | -68.3 | 0 | 0 | 113.6 | L105 V106 | L105-M109 PolarHBondContact O-N 3.43Å; V106-M109 HydrophobicContact CG2-CE 4.1Å; V106-M109 PolarHBondContact O-N 2.85Å |
| 110 | V | 96.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 40 Ų | 40 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -98 | 137.5 | -179.1 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | V106 N112 G113 S134 L137 | V106-V110 HydrophobicContact CG1-CG2 3.6Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.25Å; V110-N112 PolarHBondContact O-N 3.17Å; V110-G113 PolarHBondContact O-N 3.2Å; V110-S134 WeakPolarHBondContact O-CB 3.48Å; V110-L137 HydrophobicContact CB-CD1 4.34Å; V110-L137 HydrophobicContact CG2-CD1 4.27Å |
| 111 | E | 95.1 | Very high | 97.4 | Very high | 139 Ų | 139 | 42.8 Ų | 42.8 | 65% | 0.65 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | -133.4 | -173.2 | -53.9 | -51.7 | 146.3 | 0 | 0 | 111.7 | G113 | E111-G113 VanDerWaalsContact C-N 3.27Å; E111-G113 PolarHBondContact O-N 2.9Å |
| 112 | N | 94.2 | Very high | 97.4 | Very high | 127 Ų | 127 | 43.2 Ų | 43.2 | 68% | 0.679 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 13.9 | 177.8 | -67 | -33.8 | 0 | 0 | 0 | 113.5 | Q44 V48 V110 | Q44-N112 HydrophobicContact CG-CB 4.25Å; Q44-N112 WeakPolarHBondContact CG-O 3.37Å; Q44-N112 PolarHBondContact NE2-O 3.35Å; V48-N112 WeakPolarHBondContact CG2-O 3.16Å; V110-N112 PolarHBondContact O-N 3.17Å |
| 113 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 68.3 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S107 V110 E111 G115 S134 | S107-G113 VanDerWaalsContact O-CA 3.25Å; S107-G113 WeakPolarHBondContact O-CA 3.4Å; V110-G113 PolarHBondContact O-N 3.2Å; E111-G113 VanDerWaalsContact C-N 3.27Å; E111-G113 PolarHBondContact O-N 2.9Å; G113-G115 PolarHBondContact O-N 3.11Å; G113-S134 VanDerWaalsContact C-OG 3.25Å; G113-S134 WeakPolarHBondContact O-CB 3.44Å; G113-S134 PolarHBondContact O-OG 3.45Å | ||
| 114 | A | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | trans | -88.2 | 79.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T51 S107 T116 V135 A138 | T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 2.95Å; T51-A114 VanDerWaalsContact CG2-O 3.31Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.5Å; S107-A114 PolarHBondContact O-N 3.42Å; A114-T116 VanDerWaalsContact C-N 3.3Å; A114-T116 PolarHBondContact O-N 3.35Å; A114-V135 HydrophobicContact CB-CG2 4.43Å; A114-A138 HydrophobicContact CB-CB 3.99Å | ||
| 115 | G | 97.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | trans | -90.1 | 40 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G113 | G113-G115 PolarHBondContact O-N 3.11Š| ||
| 116 | T | 97.4 | Very high | 97 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -100.7 | -0.2 | -168.3 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | A114 L124 V135 | A114-T116 VanDerWaalsContact C-N 3.3Å; A114-T116 PolarHBondContact O-N 3.35Å; T116-L124 HydrophobicContact CG2-CG 4.47Å; T116-V135 HydrophobicContact CG2-CG2 3.93Å |
| 117 | G | 97.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 162.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T51 T119 V120 | T51-G117 VanDerWaalsContact OG1-CA 3.27Å; T51-G117 WeakPolarHBondContact OG1-CA 3.36Å; T51-G117 PolarHBondContact OG1-N 3.43Å; G117-T119 PolarHBondContact O-N 2.75Å; G117-T119 VanDerWaalsContact O-N 3.16Å; G117-V120 PolarHBondContact O-N 3.05Å; G117-V120 VanDerWaalsContact O-N 3.13Å |
| 118 | W | 97.1 | Very high | 96.5 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.9 | -178.7 | 83.3 | -78.8 | 0 | 0 | 0 | 113.6 | A54 F55 I58 F227 W228 | A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å; F55-W118 HydrophobicContact CD1-CB 4.48Å; F55-W118 HydrophobicContact CE1-CB 4.15Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.29Å; F55-W118 WeakPolarHBondContact CZ-O 3.25Å; I58-W118 HydrophobicContact CD1-CE3 4.26Å; I58-W118 HydrophobicContact CD1-CZ3 4.25Å; W118-F227 HydrophobicContact CD2-CZ 4.25Å; W118-F227 AromaticContact CE3-CZ 3.76Å; W118-F227 HydrophobicContact CE3-CZ 3.76Å; W118-F227 AromaticContact CH2-CE1 3.81Å; W118-F227 HydrophobicContact CH2-CE1 3.81Å; W118-F227 AromaticContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CZ2-CE1 4.1Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.07Å; W118-F227 AromaticContact CZ3-CZ 3.51Å; W118-F227 HydrophobicContact CZ3-CZ 3.51Å; W118-W228 HydrophobicContact CH2-CH2 4.42Å; W118-W228 HydrophobicContact CH2-CZ3 4.35Å; W118-W228 AromaticContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CZ3 4.19Å |
| 119 | T | 97.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.9 | 176.7 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | G117 Y121 Y223 F227 W228 | G117-T119 PolarHBondContact O-N 2.75Å; G117-T119 VanDerWaalsContact O-N 3.16Å; T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.36Å; T119-Y121 HydrophobicContact CG2-CE2 4.38Å; T119-Y121 PolarHBondContact O-N 2.95Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.36Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.4Å; T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.3Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.69Å; T119-F227 HydrophobicContact CG2-CZ 3.91Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å |
| 120 | V | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.3 | 173.1 | -158.7 | 0 | 0 | 0 | 0 | 113.4 | F55 G117 S125 V135 L201 | F55-V120 HydrophobicContact CE2-CG2 4.21Å; F55-V120 HydrophobicContact CZ-CG2 3.59Å; G117-V120 PolarHBondContact O-N 3.05Å; G117-V120 VanDerWaalsContact O-N 3.13Å; V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.35Å; V120-S125 PolarHBondContact O-OG 2.91Å; V120-V135 HydrophobicContact CG1-CG1 4.07Å; V120-L201 HydrophobicContact CG1-CD2 3.82Å |
| 121 | Y | 98.2 | Very high | 96.1 | Very high | 57 Ų | 57 | 45.8 Ų | 45.8 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | trans | -68.7 | 130 | -174.1 | -70.2 | -26.1 | 0 | 0 | 0 | 114.1 | T119 L124 S125 Y223 Q224 F227 W228 | T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.36Å; T119-Y121 HydrophobicContact CG2-CE2 4.38Å; T119-Y121 PolarHBondContact O-N 2.95Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.36Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.4Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 3.08Å; Y121-S125 PolarHBondContact O-N 3.32Å; Y121-S125 PolarHBondContact O-OG 3.29Å; Y121-Y223 AromaticContact CD1-CD1 3.51Å; Y121-Y223 HydrophobicContact CD1-CD1 3.51Å; Y121-Y223 AromaticContact CD1-CE1 3.63Å; Y121-Y223 HydrophobicContact CD1-CE1 3.63Å; Y121-Y223 AromaticContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CE1 4.07Å; Y121-Q224 HydrophobicContact CD1-CG 4.12Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.73Å; Y121-Q224 HydrophobicContact CE2-CG 4.34Å; Y121-F227 HydrophobicContact CE1-CD1 4.47Å; Y121-F227 HydrophobicContact CE1-CG 4.46Å; Y121-W228 PolarHBondContact OH-NE1 2.98Å | ||
| 122 | P | 97 | Very high | 96.1 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 153.5 | 162.2 | 29.4 | -31.6 | 0 | 0 | 0 | 110.2 | L124 S125 L201 F212 Y223 | P122-L124 VanDerWaalsContact C-N 3.34Å; P122-S125 VanDerWaalsContact N-OG 3.13Å; P122-L201 HydrophobicContact CB-CD1 4.13Å; P122-L201 HydrophobicContact CG-CD1 4.46Å; P122-F212 HydrophobicContact CB-CB 3.92Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.84Å; P122-Y223 VanDerWaalsContact CD-CG 3.41Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.88Å |
| 123 | P | 96.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 36.2 Ų | 36.2 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.3 | -3.9 | 2 | 33.7 | -36.1 | 0 | 0 | 0 | 114 | S125 A126 | P123-S125 VanDerWaalsContact C-N 3.3Å; P123-S125 PolarHBondContact O-N 3.33Å; P123-A126 WeakPolarHBondContact O-CB 3.49Å; P123-A126 PolarHBondContact O-N 2.76Å |
| 124 | L | 97.5 | Very high | 96.3 | Very high | 86 Ų | 86 | 36.3 Ų | 36.3 | 45% | 0.45 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -39.7 | -178.9 | -178.8 | 63.6 | 0 | 0 | 0 | 111.9 | T116 Y121 P122 A126 A129 H130 | T116-L124 HydrophobicContact CG2-CG 4.47Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 3.08Å; P122-L124 VanDerWaalsContact C-N 3.34Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A129 HydrophobicContact CD1-CB 4.18Å; L124-A129 WeakPolarHBondContact O-CB 3.29Å; L124-H130 PolarHBondContact O-ND1 3.02Å |
| 125 | S | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.8 | 175.4 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | V120 Y121 P122 P123 L201 R205 | V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.35Å; V120-S125 PolarHBondContact O-OG 2.91Å; Y121-S125 PolarHBondContact O-N 3.32Å; Y121-S125 PolarHBondContact O-OG 3.29Å; P122-S125 VanDerWaalsContact N-OG 3.13Å; P123-S125 VanDerWaalsContact C-N 3.3Å; P123-S125 PolarHBondContact O-N 3.33Å; S125-L201 WeakPolarHBondContact OG-CD2 3.33Å; S125-R205 WeakPolarHBondContact O-CD 3.44Å; S125-R205 PolarHBondContact O-NH1 2.59Å |
| 126 | A | 96.3 | Very high | 96.4 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -81.9 | 167.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P123 L124 I128 A129 H130 | P123-A126 WeakPolarHBondContact O-CB 3.49Å; P123-A126 PolarHBondContact O-N 2.76Å; L124-A126 VanDerWaalsContact C-N 3.31Å; A126-I128 PolarHBondContact O-N 3.08Å; A126-I128 VanDerWaalsContact O-N 3.11Å; A126-A129 PolarHBondContact O-N 3.23Å; A126-A129 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-N 3.49Å |
| 127 | G | 93.3 | Very high | 96.5 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A129 G131 | G127-A129 VanDerWaalsContact C-N 3.34Å; G127-A129 PolarHBondContact O-N 3.44Å; G127-G131 VanDerWaalsContact O-CA 3.26Å; G127-G131 WeakPolarHBondContact O-CA 3.37Å; G127-G131 PolarHBondContact O-N 3.27Å |
| 128 | I | 92.3 | Very high | 96.5 | Very high | 143 Ų | 143 | 37 Ų | 37 | 73% | 0.733 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -37.1 | 177.6 | -61.8 | 171.1 | 0 | 0 | 0 | 111.5 | A126 | A126-I128 PolarHBondContact O-N 3.08Å; A126-I128 VanDerWaalsContact O-N 3.11Å |
| 129 | A | 94.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 34 Ų | 34 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -32.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L124 A126 G127 | L124-A129 HydrophobicContact CD1-CB 4.18Å; L124-A129 WeakPolarHBondContact O-CB 3.29Å; A126-A129 PolarHBondContact O-N 3.23Å; A126-A129 VanDerWaalsContact O-N 3.14Å; G127-A129 VanDerWaalsContact C-N 3.34Å; G127-A129 PolarHBondContact O-N 3.44Å |
| 130 | H | 96.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | trans | -127.8 | 78.1 | 175.2 | -76.4 | 79.9 | 0 | 0 | 0 | 110.2 | Q44 L124 A126 G132 V135 R205 | Q44-H130 PolarHBondContact NE2-NE2 3.2Å; L124-H130 PolarHBondContact O-ND1 3.02Å; A126-H130 PolarHBondContact O-N 3.49Å; H130-G132 VanDerWaalsContact C-N 3.27Å; H130-G132 PolarHBondContact O-N 2.98Å; H130-V135 HydrophobicContact CB-CG2 3.72Å; H130-R205 PolarHBondContact O-NH1 2.75Å; H130-R205 PolarHBondContact O-NH2 2.75Å | ||
| 131 | G | 91.3 | Very high | 96.7 | Very high | 66 Ų | 66 | 37.6 Ų | 37.6 | 68% | 0.68 | 24% | 0.241 | S | C | * | . | trans | -71.7 | -14.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G127 | G127-G131 VanDerWaalsContact O-CA 3.26Å; G127-G131 WeakPolarHBondContact O-CA 3.37Å; G127-G131 PolarHBondContact O-N 3.27Å | ||
| 132 | G | 95.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -79.1 | 169.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H130 S134 R205 | H130-G132 VanDerWaalsContact C-N 3.27Å; H130-G132 PolarHBondContact O-N 2.98Å; G132-S134 PolarHBondContact O-N 3.17Å; G132-R205 PolarHBondContact O-NH2 3.09Å |
| 133 | A | 97.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -3.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V135 D136 L137 | A133-V135 PolarHBondContact O-N 3.05Å; A133-D136 WeakPolarHBondContact CA-OD2 3.44Å; A133-D136 PolarHBondContact O-N 3.36Å; A133-L137 WeakPolarHBondContact O-CG 3.32Å; A133-L137 PolarHBondContact O-N 3.33Å |
| 134 | S | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -49.5 | -176.4 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | S107 V110 G113 G132 D136 L137 A138 | S107-S134 VanDerWaalsContact CB-O 3.28Å; S107-S134 WeakPolarHBondContact CB-O 3.46Å; S107-S134 VanDerWaalsContact O-CB 3.28Å; S107-S134 WeakPolarHBondContact O-CB 3.39Å; V110-S134 WeakPolarHBondContact O-CB 3.48Å; G113-S134 VanDerWaalsContact C-OG 3.25Å; G113-S134 WeakPolarHBondContact O-CB 3.44Å; G113-S134 PolarHBondContact O-OG 3.45Å; G132-S134 PolarHBondContact O-N 3.17Å; S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 3.21Å; S134-L137 PolarHBondContact O-N 2.98Å; S134-A138 PolarHBondContact O-N 2.85Å; S134-A138 VanDerWaalsContact O-N 3.09Å |
| 135 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -34 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | A114 T116 V120 H130 A133 A138 I139 | A114-V135 HydrophobicContact CB-CG2 4.43Å; T116-V135 HydrophobicContact CG2-CG2 3.93Å; V120-V135 HydrophobicContact CG1-CG1 4.07Å; H130-V135 HydrophobicContact CB-CG2 3.72Å; A133-V135 PolarHBondContact O-N 3.05Å; V135-A138 PolarHBondContact O-N 3.11Å; V135-I139 HydrophobicContact CG1-CD1 4.02Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.29Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 3.21Å |
| 136 | D | 98.6 | Very high | 97 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 177.9 | -53.3 | -50.7 | 0 | 0 | 0 | 111.5 | A133 S134 A138 I139 F140 L202 R205 N206 | A133-D136 WeakPolarHBondContact CA-OD2 3.44Å; A133-D136 PolarHBondContact O-N 3.36Å; S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 3.21Å; D136-A138 PolarHBondContact O-N 3.23Å; D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 3.12Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.44Å; D136-F140 PolarHBondContact O-N 3.03Å; D136-L202 HydrophobicContact CB-CD1 3.87Å; D136-L202 VanDerWaalsContact OD1-CD1 3.25Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.43Å; D136-R205 IonicContact OD1-CZ 3.47Å; D136-R205 IonicContact OD1-NE 2.74Å; D136-R205 PolarHBondContact OD1-NE 2.94Å; D136-R205 IonicContact OD1-NH2 3.32Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.87Å; D136-R205 IonicContact OD2-NH2 2.98Å; D136-R205 PolarHBondContact OD2-NH2 3.46Å; D136-N206 PolarHBondContact OD1-ND2 3.21Å |
| 137 | L | 98.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.7 | -68.2 | 173 | 0 | 0 | 0 | 112.2 | L103 V106 V110 A133 S134 F140 S141 | L103-L137 HydrophobicContact CD2-CD2 3.8Å; V106-L137 HydrophobicContact CB-CD1 4.48Å; V106-L137 HydrophobicContact CG1-CD1 3.8Å; V110-L137 HydrophobicContact CB-CD1 4.34Å; V110-L137 HydrophobicContact CG2-CD1 4.27Å; A133-L137 WeakPolarHBondContact O-CG 3.32Å; A133-L137 PolarHBondContact O-N 3.33Å; S134-L137 PolarHBondContact O-N 2.98Å; L137-F140 PolarHBondContact O-N 2.82Å; L137-S141 PolarHBondContact O-N 3.38Å |
| 138 | A | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A114 S134 V135 D136 F140 S141 L142 | A114-A138 HydrophobicContact CB-CB 3.99Å; S134-A138 PolarHBondContact O-N 2.85Å; S134-A138 VanDerWaalsContact O-N 3.09Å; V135-A138 PolarHBondContact O-N 3.11Å; D136-A138 PolarHBondContact O-N 3.23Å; A138-F140 PolarHBondContact O-N 2.84Å; A138-S141 WeakPolarHBondContact O-CB 3.46Å; A138-S141 PolarHBondContact O-N 3.09Å; A138-L142 WeakPolarHBondContact O-CG 3.13Å; A138-L142 PolarHBondContact O-N 3.44Å |
| 139 | I | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 174.1 | -71.6 | 168 | 0 | 0 | 0 | 110.8 | V135 D136 S141 L142 H143 I198 L201 L202 | V135-I139 HydrophobicContact CG1-CD1 4.02Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.29Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 3.21Å; D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 3.12Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 3.38Å; I139-L142 PolarHBondContact O-N 3.41Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.27Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.5Å; I139-H143 PolarHBondContact O-N 3.45Å; I139-H143 PolarHBondContact O-ND1 3.01Å; I139-I198 HydrophobicContact CG1-CB 4.35Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.27Å; I139-I198 HydrophobicContact CG2-CG1 4.24Å; I139-L201 HydrophobicContact CD1-CD2 4.02Å; I139-L201 HydrophobicContact CD1-CG 4.15Å; I139-L202 HydrophobicContact CD1-CB 4.27Å; I139-L202 HydrophobicContact CD1-CD1 4.26Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.36Å; I139-L202 HydrophobicContact CG2-CD2 4.4Å |
| 140 | F | 98.8 | Very high | 97.9 | Very high | 98 Ų | 98 | 26.1 Ų | 26.1 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 177.3 | -71.3 | -55.4 | 0 | 0 | 0 | 112.7 | L103 D136 L137 A138 H143 L144 L202 | L103-F140 HydrophobicContact CD1-CB 3.94Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.44Å; D136-F140 PolarHBondContact O-N 3.03Å; L137-F140 PolarHBondContact O-N 2.82Å; A138-F140 PolarHBondContact O-N 2.84Å; F140-H143 PolarHBondContact O-N 2.8Å; F140-L144 WeakPolarHBondContact O-CG 3.12Å; F140-L144 PolarHBondContact O-N 3.4Å; F140-L144 VanDerWaalsContact O-N 3.08Å; F140-L202 HydrophobicContact CE1-CD2 3.86Å; F140-L202 HydrophobicContact CZ-CD1 4.48Å; F140-L202 HydrophobicContact CZ-CD2 3.85Å |
| 141 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.4 | -50.7 | 172.3 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | F60 A100 L104 L137 A138 I139 H143 L144 A145 | F60-S141 WeakPolarHBondContact CZ-OG 3.4Å; A100-S141 VanDerWaalsContact O-CB 3.23Å; A100-S141 WeakPolarHBondContact O-CB 3.43Å; A100-S141 PolarHBondContact O-OG 3.14Å; L104-S141 WeakPolarHBondContact CB-OG 3.34Å; L137-S141 PolarHBondContact O-N 3.38Å; A138-S141 WeakPolarHBondContact O-CB 3.46Å; A138-S141 PolarHBondContact O-N 3.09Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 3.38Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.26Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-A145 PolarHBondContact O-N 2.98Å |
| 142 | L | 98.4 | Very high | 98.4 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -35.6 | 179.8 | -66.2 | 177.2 | 0 | 0 | 0 | 112.5 | F55 F59 A138 I139 G146 I198 | F55-L142 HydrophobicContact CD1-CD1 4.46Å; F55-L142 HydrophobicContact CD1-CD2 3.69Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.79Å; F55-L142 HydrophobicContact CE1-CG 4.32Å; F55-L142 HydrophobicContact CG-CD2 4.31Å; F55-L142 HydrophobicContact CZ-CD1 3.77Å; F55-L142 HydrophobicContact CZ-CD2 4.45Å; F59-L142 HydrophobicContact CD1-CD2 4.49Å; F59-L142 HydrophobicContact CD2-CD2 4.01Å; F59-L142 HydrophobicContact CE2-CD2 4.05Å; F59-L142 HydrophobicContact CG-CD2 4.26Å; F59-L142 HydrophobicContact CZ-CD2 4.35Å; A138-L142 WeakPolarHBondContact O-CG 3.13Å; A138-L142 PolarHBondContact O-N 3.44Å; I139-L142 PolarHBondContact O-N 3.41Å; L142-G146 PolarHBondContact O-N 3.26Å; L142-I198 HydrophobicContact CB-CD1 3.85Å |
| 143 | H | 98.9 | Very high | 98.5 | Very high | 37 Ų | 37 | 23.2 Ų | 23.2 | 17% | 0.171 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 172.2 | -79 | 97.3 | 0 | 0 | 0 | 112 | I139 F140 S141 G146 I147 I198 T199 | I139-H143 WeakPolarHBondContact CG2-CE1 3.27Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.5Å; I139-H143 PolarHBondContact O-N 3.45Å; I139-H143 PolarHBondContact O-ND1 3.01Å; F140-H143 PolarHBondContact O-N 2.8Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.26Å; H143-G146 PolarHBondContact O-N 3.05Å; H143-I147 VanDerWaalsContact O-CG1 3.25Å; H143-I147 WeakPolarHBondContact O-CG1 3.3Å; H143-I147 PolarHBondContact O-N 3.25Å; H143-I198 VanDerWaalsContact CE1-CD1 3.49Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.41Å; H143-I198 VanDerWaalsContact CE1-CG1 3.41Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.37Å; H143-T199 PolarHBondContact NE2-OG1 2.8Å |
| 144 | L | 98.8 | Very high | 98.6 | Very high | 43 Ų | 43 | 23.2 Ų | 23.2 | 23% | 0.225 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | -179.5 | -67.5 | -172.1 | 0 | 0 | 0 | 112 | L96 P99 A100 L103 F140 S141 I147 S148 | L96-L144 HydrophobicContact CD2-CD2 4.28Å; P99-L144 HydrophobicContact CB-CD1 4.17Å; P99-L144 HydrophobicContact CG-CD1 4.28Å; A100-L144 HydrophobicContact CB-CB 3.62Å; A100-L144 HydrophobicContact CB-CD1 4.41Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å; L103-L144 HydrophobicContact CD1-CG 4.49Å; F140-L144 WeakPolarHBondContact O-CG 3.12Å; F140-L144 PolarHBondContact O-N 3.4Å; F140-L144 VanDerWaalsContact O-N 3.08Å; S141-L144 PolarHBondContact O-N 2.97Å; L144-I147 PolarHBondContact O-N 3.45Å; L144-S148 PolarHBondContact O-N 3.25Å |
| 145 | A | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F59 F60 L97 A100 S141 S148 S149 | F59-A145 HydrophobicContact CB-CB 4.42Å; F60-A145 HydrophobicContact CZ-CB 4.16Å; L97-A145 HydrophobicContact CD2-CB 4.48Å; A100-A145 HydrophobicContact CB-CB 4.41Å; S141-A145 PolarHBondContact O-N 2.98Å; A145-S148 WeakPolarHBondContact O-CB 3.18Å; A145-S148 PolarHBondContact O-N 3.36Å; A145-S149 PolarHBondContact O-N 2.98Å; A145-S149 VanDerWaalsContact O-N 3.09Å; A145-S149 PolarHBondContact O-OG 2.87Å; A145-S149 VanDerWaalsContact O-OG 3.06Å |
| 146 | G | 98.3 | Very high | 98.6 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 9% | 0.093 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L142 H143 S148 S149 I150 | L142-G146 PolarHBondContact O-N 3.26Å; H143-G146 PolarHBondContact O-N 3.05Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.24Å; G146-S149 PolarHBondContact O-N 3.2Å; G146-I150 WeakPolarHBondContact O-CG1 3.38Å; G146-I150 PolarHBondContact O-N 3.44Å |
| 147 | I | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 23.6 Ų | 23.6 | 40% | 0.395 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.4 | -65.4 | 162.7 | 0 | 0 | 0 | 110.3 | L96 H143 L144 S149 I150 L151 | L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; H143-I147 VanDerWaalsContact O-CG1 3.25Å; H143-I147 WeakPolarHBondContact O-CG1 3.3Å; H143-I147 PolarHBondContact O-N 3.25Å; L144-I147 PolarHBondContact O-N 3.45Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.13Å; I147-I150 PolarHBondContact O-N 3.47Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.16Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.31Å; I147-L151 PolarHBondContact O-N 3.47Å |
| 148 | S | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -50.5 | -50.5 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | S93 L144 A145 G146 L151 G152 | S93-S148 WeakPolarHBondContact CB-O 3.43Å; S93-S148 VanDerWaalsContact O-CB 3.24Å; S93-S148 WeakPolarHBondContact O-CB 3.27Å; S93-S148 PolarHBondContact O-OG 2.97Å; L144-S148 PolarHBondContact O-N 3.25Å; A145-S148 WeakPolarHBondContact O-CB 3.18Å; A145-S148 PolarHBondContact O-N 3.36Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.24Å; S148-L151 PolarHBondContact O-N 2.72Å; S148-G152 PolarHBondContact O-N 2.94Å |
| 149 | S | 98.3 | Very high | 98.6 | Very high | 21 Ų | 21 | 23.2 Ų | 23.2 | 15% | 0.147 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.8 | -39.7 | -177.3 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | A145 G146 I147 G152 A153 L191 | A145-S149 PolarHBondContact O-N 2.98Å; A145-S149 VanDerWaalsContact O-N 3.09Å; A145-S149 PolarHBondContact O-OG 2.87Å; A145-S149 VanDerWaalsContact O-OG 3.06Å; G146-S149 PolarHBondContact O-N 3.2Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.13Å; S149-G152 PolarHBondContact O-N 3.16Å; S149-A153 WeakPolarHBondContact O-CB 3.27Å; S149-A153 PolarHBondContact O-N 3.47Å; S149-L191 VanDerWaalsContact CB-CD1 3.49Å |
| 150 | I | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 23.2 Ų | 23.2 | 23% | 0.226 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.1 | -69.3 | 168.2 | 0 | 0 | 0 | 110.9 | G146 I147 G152 A153 V154 L188 L191 P192 | G146-I150 WeakPolarHBondContact O-CG1 3.38Å; G146-I150 PolarHBondContact O-N 3.44Å; I147-I150 PolarHBondContact O-N 3.47Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.2Å; I150-A153 PolarHBondContact O-N 3.35Å; I150-V154 HydrophobicContact CG2-CG2 4.5Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.28Å; I150-L188 HydrophobicContact CG2-CD1 4.01Å; I150-L191 HydrophobicContact CD1-CB 3.91Å; I150-L191 HydrophobicContact CG1-CB 3.89Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; I150-P192 HydrophobicContact CD1-CG 4.43Å |
| 151 | L | 98.7 | Very high | 98.6 | Very high | 34 Ų | 34 | 22.8 Ų | 22.8 | 18% | 0.178 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.4 | -68.3 | -179.6 | 0 | 0 | 0 | 111.3 | M89 M92 L96 I147 S148 N155 | M89-L151 HydrophobicContact CG-CB 3.94Å; M89-L151 HydrophobicContact CG-CD1 4.48Å; M89-L151 HydrophobicContact CG-CD2 3.88Å; M89-L151 HydrophobicContact CG-CG 4.31Å; M89-L151 HydrophobicContact SD-CB 4.36Å; M89-L151 HydrophobicContact SD-CD2 3.98Å; M92-L151 HydrophobicContact CE-CD1 4.41Å; M92-L151 HydrophobicContact CG-CD1 4.12Å; M92-L151 HydrophobicContact SD-CD1 4.12Å; L96-L151 HydrophobicContact CD1-CD1 4.06Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.16Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.31Å; I147-L151 PolarHBondContact O-N 3.47Å; S148-L151 PolarHBondContact O-N 2.72Å; L151-N155 WeakPolarHBondContact O-CB 3.47Å; L151-N155 PolarHBondContact O-N 2.99Å; L151-N155 VanDerWaalsContact O-N 3.17Å |
| 152 | G | 98.4 | Very high | 98.5 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 6% | 0.062 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S148 S149 I150 V154 N155 F156 | S148-G152 PolarHBondContact O-N 2.94Å; S149-G152 PolarHBondContact O-N 3.16Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.2Å; G152-V154 PolarHBondContact O-N 2.93Å; G152-N155 WeakPolarHBondContact O-CB 3.36Å; G152-N155 PolarHBondContact O-N 3.34Å; G152-F156 WeakPolarHBondContact O-CD2 3.24Å; G152-F156 PolarHBondContact O-N 3.13Å |
| 153 | A | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -49.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S149 I150 N155 F156 I157 A184 L187 L188 | S149-A153 WeakPolarHBondContact O-CB 3.27Å; S149-A153 PolarHBondContact O-N 3.47Å; I150-A153 PolarHBondContact O-N 3.35Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.81Å; A153-F156 PolarHBondContact O-N 2.93Å; A153-I157 WeakPolarHBondContact O-CD1 3.4Å; A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.37Å; A153-I157 PolarHBondContact O-N 2.86Å; A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.48Å; A153-L187 HydrophobicContact CB-CB 4.33Å; A153-L188 HydrophobicContact CB-CB 4.39Å |
| 154 | V | 98.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 32.2 Ų | 32.2 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.8 | -42.4 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | F86 M89 I150 G152 T158 L188 | F86-V154 HydrophobicContact CE2-CG1 4.25Å; M89-V154 HydrophobicContact SD-CG1 4.47Å; I150-V154 HydrophobicContact CG2-CG2 4.5Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.28Å; G152-V154 PolarHBondContact O-N 2.93Å; V154-T158 WeakPolarHBondContact O-CB 3.46Å; V154-T158 PolarHBondContact O-N 3.43Å; V154-T158 PolarHBondContact O-OG1 2.98Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.44Å |
| 155 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 179 | -170.9 | 24.6 | 0 | 0 | 0 | 112.4 | M84 A85 F86 N90 L151 G152 A153 T158 T159 | M84-N155 HydrophobicContact CE-CB 4.39Å; M84-N155 WeakPolarHBondContact CE-ND2 3.35Å; A85-N155 PolarHBondContact N-OD1 2.98Å; F86-N155 HydrophobicContact CD2-CB 4.3Å; F86-N155 PolarHBondContact N-OD1 3.46Å; N90-N155 WeakPolarHBondContact CB-ND2 3.48Å; L151-N155 WeakPolarHBondContact O-CB 3.47Å; L151-N155 PolarHBondContact O-N 2.99Å; L151-N155 VanDerWaalsContact O-N 3.17Å; G152-N155 WeakPolarHBondContact O-CB 3.36Å; G152-N155 PolarHBondContact O-N 3.34Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.81Å; N155-T158 PolarHBondContact O-N 2.88Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.18Å; N155-T159 PolarHBondContact O-N 3.25Å; N155-T159 PolarHBondContact O-OG1 2.91Å |
| 156 | F | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -50.2 | 174.9 | -78.5 | -58.7 | 0 | 0 | 0 | 111.9 | I67 G71 V75 M84 G152 A153 T158 T159 V160 V180 A184 | I67-F156 HydrophobicContact CG2-CD2 4.22Å; I67-F156 HydrophobicContact CG2-CE2 3.76Å; I67-F156 WeakPolarHBondContact O-CE2 3.22Å; I67-F156 VanDerWaalsContact O-CZ 3.28Å; I67-F156 WeakPolarHBondContact O-CZ 3.44Å; G71-F156 WeakPolarHBondContact O-CE1 3.45Å; V75-F156 HydrophobicContact CB-CD1 4.48Å; V75-F156 HydrophobicContact CB-CE1 4.38Å; V75-F156 HydrophobicContact CG1-CD1 4.46Å; V75-F156 HydrophobicContact CG2-CD1 4.4Å; V75-F156 HydrophobicContact CG2-CE1 4.31Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.48Å; M84-F156 VanDerWaalsContact CE-CE1 3.48Å; M84-F156 HydrophobicContact CE-CG 4.11Å; M84-F156 HydrophobicContact CE-CZ 4.2Å; M84-F156 HydrophobicContact SD-CD1 4.46Å; M84-F156 HydrophobicContact SD-CE1 4.22Å; G152-F156 WeakPolarHBondContact O-CD2 3.24Å; G152-F156 PolarHBondContact O-N 3.13Å; A153-F156 PolarHBondContact O-N 2.93Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 3.21Å; F156-T159 PolarHBondContact O-N 2.97Å; F156-V160 WeakPolarHBondContact O-CB 3.24Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.47Å; F156-V160 PolarHBondContact O-N 3.39Å; F156-V180 HydrophobicContact CB-CG1 4.29Å; F156-V180 HydrophobicContact CD1-CG1 3.8Å; F156-V180 HydrophobicContact CD2-CG1 4.22Å; F156-V180 HydrophobicContact CE1-CG1 4.23Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F156-A184 HydrophobicContact CB-CB 4.13Å |
| 157 | I | 98.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.2 | -48.2 | 178.7 | -68.6 | 162.6 | 0 | 0 | 0 | 110 | A153 T159 V160 I161 A184 L185 L188 | A153-I157 WeakPolarHBondContact O-CD1 3.4Å; A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.37Å; A153-I157 PolarHBondContact O-N 2.86Å; I157-T159 PolarHBondContact O-N 3.46Å; I157-V160 PolarHBondContact O-N 2.9Å; I157-I161 HydrophobicContact CG2-CD1 3.62Å; I157-I161 HydrophobicContact CG2-CG1 4.47Å; I157-I161 WeakPolarHBondContact O-CB 3.45Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.13Å; I157-I161 PolarHBondContact O-N 3.21Å; I157-A184 HydrophobicContact CD1-CB 4.17Å; I157-A184 HydrophobicContact CG1-CB 3.85Å; I157-L185 HydrophobicContact CD1-CD2 3.81Å; I157-L185 HydrophobicContact CD1-CG 4.19Å; I157-L185 HydrophobicContact CG1-CD2 4.33Å; I157-L185 HydrophobicContact CG1-CG 4.42Å; I157-L188 HydrophobicContact CD1-CD2 3.84Å |
| 158 | T | 98.7 | Very high | 97.7 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | -178.5 | -54.3 | 0 | 0 | 0 | 0 | 112 | A85 F86 V154 N155 F156 I161 N162 | A85-T158 HydrophobicContact CB-CG2 3.68Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.43Å; F86-T158 HydrophobicContact CZ-CG2 3.72Å; V154-T158 WeakPolarHBondContact O-CB 3.46Å; V154-T158 PolarHBondContact O-N 3.43Å; V154-T158 PolarHBondContact O-OG1 2.98Å; N155-T158 PolarHBondContact O-N 2.88Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 3.21Å; T158-I161 PolarHBondContact O-N 3.18Å; T158-N162 WeakPolarHBondContact O-CB 3.33Å; T158-N162 PolarHBondContact O-N 3.44Å; T158-N162 PolarHBondContact O-ND2 2.93Å; T158-N162 VanDerWaalsContact O-ND2 3.1Å |
| 159 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -49.9 | 178 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | M84 A85 N155 F156 I157 I161 N162 M163 | M84-T159 HydrophobicContact SD-CG2 4.07Å; A85-T159 WeakPolarHBondContact CB-OG1 3.45Å; A85-T159 PolarHBondContact N-OG1 3.11Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.18Å; N155-T159 PolarHBondContact O-N 3.25Å; N155-T159 PolarHBondContact O-OG1 2.91Å; F156-T159 PolarHBondContact O-N 2.97Å; I157-T159 PolarHBondContact O-N 3.46Å; T159-I161 VanDerWaalsContact C-N 3.33Å; T159-I161 PolarHBondContact O-N 3.16Å; T159-N162 PolarHBondContact O-N 2.97Å; T159-M163 HydrophobicContact CG2-CB 4.32Å; T159-M163 HydrophobicContact CG2-SD 4.15Å; T159-M163 WeakPolarHBondContact O-CB 3.3Å; T159-M163 PolarHBondContact O-N 3.19Å |
| 160 | V | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | -178.9 | 176.1 | 0 | 0 | 0 | 0 | 111 | V75 L79 F156 I157 R164 M173 V177 V181 | V75-V160 HydrophobicContact CG1-CG2 3.77Å; L79-V160 HydrophobicContact CD1-CB 4.27Å; L79-V160 HydrophobicContact CD1-CG2 4Å; F156-V160 WeakPolarHBondContact O-CB 3.24Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.47Å; F156-V160 PolarHBondContact O-N 3.39Å; I157-V160 PolarHBondContact O-N 2.9Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.29Å; V160-R164 PolarHBondContact O-NH1 3.32Å; V160-M173 HydrophobicContact CG1-CE 4.11Å; V160-M173 HydrophobicContact CG1-SD 3.57Å; V160-M173 VanDerWaalsContact CG1-SD 3.57Å; V160-V177 HydrophobicContact CB-CG1 4.49Å; V160-V177 HydrophobicContact CG1-CG1 3.87Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.39Å; V160-V181 HydrophobicContact CG1-CG2 3.7Å; V160-V181 HydrophobicContact CG2-CG2 3.82Å |
| 161 | I | 97.6 | Very high | 97.3 | Very high | 89 Ų | 89 | 49.2 Ų | 49.2 | 46% | 0.456 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.3 | -42.8 | -178.8 | -69.3 | 174.1 | 0 | 0 | 0 | 112.2 | I157 T158 T159 R164 | I157-I161 HydrophobicContact CG2-CD1 3.62Å; I157-I161 HydrophobicContact CG2-CG1 4.47Å; I157-I161 WeakPolarHBondContact O-CB 3.45Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.13Å; I157-I161 PolarHBondContact O-N 3.21Å; T158-I161 PolarHBondContact O-N 3.18Å; T159-I161 VanDerWaalsContact C-N 3.33Å; T159-I161 PolarHBondContact O-N 3.16Å; I161-R164 VanDerWaalsContact CA-NH1 3.3Å; I161-R164 PolarHBondContact O-NH1 3.26Å; I161-R164 PolarHBondContact O-NH2 3.16Å |
| 162 | N | 97.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -108.6 | -17.1 | -163.8 | -63.2 | -60.4 | 0 | 0 | 0 | 115.4 | T158 T159 | T158-N162 WeakPolarHBondContact O-CB 3.33Å; T158-N162 PolarHBondContact O-N 3.44Å; T158-N162 PolarHBondContact O-ND2 2.93Å; T158-N162 VanDerWaalsContact O-ND2 3.1Å; T159-N162 PolarHBondContact O-N 2.97Å |
| 163 | M | 97.9 | Very high | 97.1 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 27% | 0.271 | 31% | 0.309 | S | S | . | . | trans | -113.7 | 14.2 | -169 | -57.5 | -172.3 | 70.2 | 0 | 0 | 114.5 | A81 P82 D83 A85 T159 | A81-M163 HydrophobicContact CB-CB 3.95Å; A81-M163 WeakPolarHBondContact CB-O 3.36Å; P82-M163 HydrophobicContact CG-CE 4.28Å; D83-M163 WeakPolarHBondContact O-CE 3.34Å; A85-M163 WeakPolarHBondContact CA-SD 3.16Å; A85-M163 HydrophobicContact CB-SD 3.7Å; A85-M163 PolarHBondContact N-SD 2.7Å; T159-M163 HydrophobicContact CG2-CB 4.32Å; T159-M163 HydrophobicContact CG2-SD 4.15Å; T159-M163 WeakPolarHBondContact O-CB 3.3Å; T159-M163 PolarHBondContact O-N 3.19Å | ||
| 164 | R | 97.3 | Very high | 97.1 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 140.4 | 175.9 | -54.7 | -172.2 | -66 | -83.1 | -14 | 110.8 | L79 V160 I161 I168 L170 M173 | L79-R164 HydrophobicContact CD1-CG 4.28Å; L79-R164 HydrophobicContact CD2-CG 3.81Å; L79-R164 HydrophobicContact CG-CG 4.49Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.29Å; V160-R164 PolarHBondContact O-NH1 3.32Å; I161-R164 VanDerWaalsContact CA-NH1 3.3Å; I161-R164 PolarHBondContact O-NH1 3.26Å; I161-R164 PolarHBondContact O-NH2 3.16Å; R164-I168 HydrophobicContact CB-CB 4.35Å; R164-I168 PolarHBondContact NE-O 3.27Å; R164-L170 VanDerWaalsContact NH1-CD2 3.33Å; R164-M173 VanDerWaalsContact CD-SD 3.55Å |
| 165 | S | 96 | Very high | 97 | Very high | 50 Ų | 50 | 63.6 Ų | 63.6 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 152.7 | 171.8 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | L79 G167 I168 | L79-S165 PolarHBondContact O-N 2.99Å; L79-S165 PolarHBondContact O-OG 3.5Å; S165-G167 PolarHBondContact O-N 2.84Å; S165-I168 PolarHBondContact O-N 3.15Å; S165-I168 VanDerWaalsContact O-N 3.11Å; S165-I168 WeakPolarHBondContact OG-CD1 3.3Å; S165-I168 WeakPolarHBondContact OG-CG1 3.37Å |
| 166 | T | 94.4 | Very high | 97 | Very high | 154 Ų | 154 | 66.2 Ų | 66.2 | 95% | 0.945 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 131.1 | 174.1 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 167 | G | 92.3 | Very high | 97 | Very high | 58 Ų | 58 | 66.1 Ų | 66.1 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | -12.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S165 S169 | S165-G167 PolarHBondContact O-N 2.84Å; G167-S169 PolarHBondContact O-N 3.18Å |
| 168 | I | 96.4 | Very high | 97 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 21% | 0.205 | 37% | 0.369 | C | S | . | . | trans | -91.3 | 88.2 | 168.9 | -55.1 | -178.9 | 0 | 0 | 0 | 109 | R164 S165 M173 | R164-I168 HydrophobicContact CB-CB 4.35Å; R164-I168 PolarHBondContact NE-O 3.27Å; S165-I168 PolarHBondContact O-N 3.15Å; S165-I168 VanDerWaalsContact O-N 3.11Å; S165-I168 WeakPolarHBondContact OG-CD1 3.3Å; S165-I168 WeakPolarHBondContact OG-CG1 3.37Å; I168-M173 HydrophobicContact CG2-CG 3.93Å | ||
| 169 | S | 95.5 | Very high | 97 | Very high | 46 Ų | 46 | 70.2 Ų | 70.2 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | trans | -72.9 | 163.7 | 165.6 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | G167 D171 R172 M173 | G167-S169 PolarHBondContact O-N 3.18Å; S169-D171 VanDerWaalsContact C-N 3.3Å; S169-D171 WeakPolarHBondContact CB-OD1 3.45Å; S169-D171 PolarHBondContact O-N 3.2Å; S169-D171 PolarHBondContact OG-OD1 2.71Å; S169-R172 PolarHBondContact O-N 2.94Å; S169-R172 WeakPolarHBondContact OG-CD 3.39Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; S169-M173 PolarHBondContact O-N 3.39Å | ||
| 170 | L | 95.4 | Very high | 97 | Very high | 84 Ų | 84 | 70.4 Ų | 70.4 | 44% | 0.44 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -58 | -41.9 | -175.8 | -73.6 | 172.2 | 0 | 0 | 0 | 112.5 | R164 R172 M173 W178 | R164-L170 VanDerWaalsContact NH1-CD2 3.33Å; L170-R172 PolarHBondContact O-N 2.95Å; L170-M173 HydrophobicContact CB-CE 4.38Å; L170-M173 HydrophobicContact CD2-CE 3.48Å; L170-M173 VanDerWaalsContact CD2-CE 3.48Å; L170-M173 HydrophobicContact CD2-SD 3.91Å; L170-M173 PolarHBondContact O-N 3.01Å; L170-W178 HydrophobicContact CB-CZ2 4.18Å; L170-W178 VanDerWaalsContact O-CZ2 3.25Å; L170-W178 WeakPolarHBondContact O-CZ2 3.4Å; L170-W178 PolarHBondContact O-NE1 3.29Å |
| 171 | D | 95.9 | Very high | 97 | Very high | 125 Ų | 125 | 70.9 Ų | 70.9 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64 | -17.3 | 176.8 | 61.2 | -51.9 | 0 | 0 | 0 | 113.7 | S169 | S169-D171 VanDerWaalsContact C-N 3.3Å; S169-D171 WeakPolarHBondContact CB-OD1 3.45Å; S169-D171 PolarHBondContact O-N 3.2Å; S169-D171 PolarHBondContact OG-OD1 2.71Å |
| 172 | R | 95.9 | Very high | 97 | Very high | 179 Ų | 179 | 70.9 Ų | 70.9 | 68% | 0.675 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -105.2 | 2.8 | -179.6 | -62.3 | -178.4 | -177.7 | -169 | -2.1 | 113.6 | S169 L170 | S169-R172 PolarHBondContact O-N 2.94Å; S169-R172 WeakPolarHBondContact OG-CD 3.39Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; L170-R172 PolarHBondContact O-N 2.95Å |
| 173 | M | 97.5 | Very high | 97 | Very high | 9 Ų | 9 | 67.7 Ų | 67.7 | 4% | 0.044 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -66.4 | 142.9 | 176.8 | -66.5 | -171.3 | -57.5 | 0 | 0 | 111.1 | L79 V160 R164 I168 S169 L170 V177 W178 | L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.34Å; V160-M173 HydrophobicContact CG1-CE 4.11Å; V160-M173 HydrophobicContact CG1-SD 3.57Å; V160-M173 VanDerWaalsContact CG1-SD 3.57Å; R164-M173 VanDerWaalsContact CD-SD 3.55Å; I168-M173 HydrophobicContact CG2-CG 3.93Å; S169-M173 PolarHBondContact O-N 3.39Å; L170-M173 HydrophobicContact CB-CE 4.38Å; L170-M173 HydrophobicContact CD2-CE 3.48Å; L170-M173 VanDerWaalsContact CD2-CE 3.48Å; L170-M173 HydrophobicContact CD2-SD 3.91Å; L170-M173 PolarHBondContact O-N 3.01Å; M173-V177 HydrophobicContact SD-CG1 4.25Å; M173-W178 HydrophobicContact CE-CD2 3.79Å; M173-W178 HydrophobicContact CE-CE3 4.25Å; M173-W178 HydrophobicContact CE-CG 4.32Å; M173-W178 HydrophobicContact CE-CH2 4.04Å; M173-W178 HydrophobicContact CE-CZ2 3.55Å; M173-W178 HydrophobicContact CE-CZ3 4.36Å |
| 174 | P | 97.9 | Very high | 97 | Very high | 49 Ų | 49 | 65.1 Ų | 65.1 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | trans | -56.7 | 145 | 173.7 | -27.1 | 37.6 | 0 | 0 | 0 | 112.3 | M78 F176 V177 W178 | M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.25Å; P174-F176 PolarHBondContact O-N 2.76Å; P174-V177 HydrophobicContact CB-CG2 4.29Å; P174-V177 HydrophobicContact CG-CG2 4.44Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å; P174-V177 PolarHBondContact O-N 3Å; P174-W178 PolarHBondContact O-N 2.9Å; P174-W178 VanDerWaalsContact O-N 3.12Å | ||
| 175 | L | 98.3 | Very high | 97.1 | Very high | 151 Ų | 151 | 65.7 Ų | 65.7 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.7 | -33.9 | -177.4 | -67.4 | 177.4 | 0 | 0 | 0 | 113.2 | W178 S179 | L175-W178 WeakPolarHBondContact O-CB 3.37Å; L175-W178 PolarHBondContact O-N 3.33Å; L175-S179 PolarHBondContact O-N 2.94Å |
| 176 | F | 98.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 67 Ų | 67 | 24% | 0.237 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 174.6 | 178.6 | -101 | 0 | 0 | 0 | 112.6 | F70 L74 V75 M78 P174 W178 S179 V180 | F70-F176 HydrophobicContact CB-CE2 4.33Å; F70-F176 HydrophobicContact CB-CZ 3.75Å; L74-F176 HydrophobicContact CB-CD1 4.22Å; L74-F176 HydrophobicContact CB-CE1 3.79Å; L74-F176 HydrophobicContact CD1-CD1 4.45Å; L74-F176 HydrophobicContact CD1-CE1 4.07Å; L74-F176 HydrophobicContact CD1-CZ 4.32Å; V75-F176 HydrophobicContact CG2-CE1 4.05Å; M78-F176 HydrophobicContact CE-CB 4.39Å; M78-F176 HydrophobicContact CE-CD1 4.15Å; M78-F176 HydrophobicContact CE-CG 4.5Å; M78-F176 HydrophobicContact SD-CB 4.08Å; M78-F176 HydrophobicContact SD-CD1 3.7Å; M78-F176 HydrophobicContact SD-CG 4.3Å; P174-F176 PolarHBondContact O-N 2.76Å; F176-W178 VanDerWaalsContact C-N 3.32Å; F176-S179 WeakPolarHBondContact CA-OG 3.49Å; F176-S179 PolarHBondContact O-N 2.89Å; F176-S179 PolarHBondContact O-OG 3.24Å; F176-V180 HydrophobicContact CD1-CG2 4.37Å; F176-V180 HydrophobicContact CE1-CG2 3.83Å; F176-V180 HydrophobicContact CE2-CG2 4.09Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.25Å; F176-V180 PolarHBondContact O-N 3.43Å |
| 177 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | V75 M78 L79 V160 M173 P174 V180 V181 | V75-V177 HydrophobicContact CG1-CG1 4.34Å; M78-V177 HydrophobicContact CB-CG2 3.71Å; M78-V177 HydrophobicContact SD-CG2 4.06Å; L79-V177 HydrophobicContact CD1-CG1 4.25Å; L79-V177 HydrophobicContact CD2-CG1 3.97Å; L79-V177 HydrophobicContact CD2-CG2 4.39Å; L79-V177 HydrophobicContact CG-CG1 4.22Å; L79-V177 HydrophobicContact CG-CG2 4.43Å; V160-V177 HydrophobicContact CB-CG1 4.49Å; V160-V177 HydrophobicContact CG1-CG1 3.87Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; M173-V177 HydrophobicContact SD-CG1 4.25Å; P174-V177 HydrophobicContact CB-CG2 4.29Å; P174-V177 HydrophobicContact CG-CG2 4.44Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å; P174-V177 PolarHBondContact O-N 3Å; V177-V180 PolarHBondContact O-N 2.99Å; V177-V181 PolarHBondContact O-N 3.28Å |
| 178 | W | 98.4 | Very high | 97.6 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 172.4 | -90.4 | 113.6 | 0 | 0 | 0 | 112.5 | L170 M173 P174 L175 F176 V180 V181 I182 | L170-W178 HydrophobicContact CB-CZ2 4.18Å; L170-W178 VanDerWaalsContact O-CZ2 3.25Å; L170-W178 WeakPolarHBondContact O-CZ2 3.4Å; L170-W178 PolarHBondContact O-NE1 3.29Å; M173-W178 HydrophobicContact CE-CD2 3.79Å; M173-W178 HydrophobicContact CE-CE3 4.25Å; M173-W178 HydrophobicContact CE-CG 4.32Å; M173-W178 HydrophobicContact CE-CH2 4.04Å; M173-W178 HydrophobicContact CE-CZ2 3.55Å; M173-W178 HydrophobicContact CE-CZ3 4.36Å; P174-W178 PolarHBondContact O-N 2.9Å; P174-W178 VanDerWaalsContact O-N 3.12Å; L175-W178 WeakPolarHBondContact O-CB 3.37Å; L175-W178 PolarHBondContact O-N 3.33Å; F176-W178 VanDerWaalsContact C-N 3.32Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 2.81Å; W178-V181 HydrophobicContact CE3-CG1 4.13Å; W178-V181 HydrophobicContact CZ3-CG1 4.33Å; W178-V181 PolarHBondContact O-N 3.17Å; W178-I182 WeakPolarHBondContact O-CG1 3.25Å; W178-I182 PolarHBondContact O-N 3.29Å |
| 179 | S | 98.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 64 Ų | 64 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 178.3 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | L175 F176 V181 I182 T183 | L175-S179 PolarHBondContact O-N 2.94Å; F176-S179 WeakPolarHBondContact CA-OG 3.49Å; F176-S179 PolarHBondContact O-N 2.89Å; F176-S179 PolarHBondContact O-OG 3.24Å; S179-V181 PolarHBondContact O-N 3.27Å; S179-I182 PolarHBondContact O-N 3.44Å; S179-T183 PolarHBondContact O-N 3.36Å; S179-T183 PolarHBondContact O-OG1 3.38Å; S179-T183 VanDerWaalsContact O-OG1 3.09Å |
| 180 | V | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | V75 F156 F176 V177 W178 T183 A184 | V75-V180 HydrophobicContact CG2-CB 4.14Å; V75-V180 HydrophobicContact CG2-CG1 4.04Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å; F156-V180 HydrophobicContact CB-CG1 4.29Å; F156-V180 HydrophobicContact CD1-CG1 3.8Å; F156-V180 HydrophobicContact CD2-CG1 4.22Å; F156-V180 HydrophobicContact CE1-CG1 4.23Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F176-V180 HydrophobicContact CD1-CG2 4.37Å; F176-V180 HydrophobicContact CE1-CG2 3.83Å; F176-V180 HydrophobicContact CE2-CG2 4.09Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.25Å; F176-V180 PolarHBondContact O-N 3.43Å; V177-V180 PolarHBondContact O-N 2.99Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 2.81Å; V180-T183 PolarHBondContact O-N 3.08Å; V180-A184 VanDerWaalsContact O-CB 3.29Å; V180-A184 WeakPolarHBondContact O-CB 3.41Å; V180-A184 PolarHBondContact O-N 3.35Å |
| 181 | V | 97.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 179.4 | 116.6 | 0 | 0 | 0 | 0 | 112.2 | V160 V177 W178 S179 A184 L185 | V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.39Å; V160-V181 HydrophobicContact CG1-CG2 3.7Å; V160-V181 HydrophobicContact CG2-CG2 3.82Å; V177-V181 PolarHBondContact O-N 3.28Å; W178-V181 HydrophobicContact CE3-CG1 4.13Å; W178-V181 HydrophobicContact CZ3-CG1 4.33Å; W178-V181 PolarHBondContact O-N 3.17Å; S179-V181 PolarHBondContact O-N 3.27Å; V181-A184 PolarHBondContact O-N 3.05Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.22Å |
| 182 | I | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 55.4 Ų | 55.4 | 46% | 0.456 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 176.3 | -68.3 | 167.9 | 0 | 0 | 0 | 109.6 | W178 S179 A184 L185 L186 | W178-I182 WeakPolarHBondContact O-CG1 3.25Å; W178-I182 PolarHBondContact O-N 3.29Å; S179-I182 PolarHBondContact O-N 3.44Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 3.27Å; I182-L185 PolarHBondContact O-N 2.92Å; I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.41Å; I182-L186 PolarHBondContact O-N 3.5Å |
| 183 | T | 98.3 | Very high | 98 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | I67 S179 V180 L185 L186 L187 | I67-T183 HydrophobicContact CD1-CG2 3.66Å; I67-T183 HydrophobicContact CG1-CG2 4.08Å; S179-T183 PolarHBondContact O-N 3.36Å; S179-T183 PolarHBondContact O-OG1 3.38Å; S179-T183 VanDerWaalsContact O-OG1 3.09Å; V180-T183 PolarHBondContact O-N 3.08Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 3.42Å; T183-L186 PolarHBondContact O-N 3.2Å; T183-L187 HydrophobicContact CG2-CD1 3.96Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 WeakPolarHBondContact O-CB 3.32Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.23Å; T183-L187 PolarHBondContact O-N 3.13Å |
| 184 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A153 F156 I157 V180 V181 I182 L188 | A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.48Å; F156-A184 HydrophobicContact CB-CB 4.13Å; I157-A184 HydrophobicContact CD1-CB 4.17Å; I157-A184 HydrophobicContact CG1-CB 3.85Å; V180-A184 VanDerWaalsContact O-CB 3.29Å; V180-A184 WeakPolarHBondContact O-CB 3.41Å; V180-A184 PolarHBondContact O-N 3.35Å; V181-A184 PolarHBondContact O-N 3.05Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.43Å; A184-L188 PolarHBondContact O-N 3.17Å |
| 185 | L | 98.5 | Very high | 98 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.8 | -74.2 | 167.8 | 0 | 0 | 0 | 111.8 | I157 V181 I182 T183 L188 L189 | I157-L185 HydrophobicContact CD1-CD2 3.81Å; I157-L185 HydrophobicContact CD1-CG 4.19Å; I157-L185 HydrophobicContact CG1-CD2 4.33Å; I157-L185 HydrophobicContact CG1-CG 4.42Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.22Å; I182-L185 PolarHBondContact O-N 2.92Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 3.42Å; L185-L188 PolarHBondContact O-N 3.39Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.28Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.17Å |
| 186 | L | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.8 | -50.4 | 177.2 | -66.9 | 175.2 | 0 | 0 | 0 | 110.9 | I182 T183 L188 L189 S190 | I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.41Å; I182-L186 PolarHBondContact O-N 3.5Å; T183-L186 PolarHBondContact O-N 3.2Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.42Å; L186-L189 PolarHBondContact O-N 3.28Å; L186-L189 VanDerWaalsContact O-N 3.14Å; L186-S190 VanDerWaalsContact O-CB 3.24Å; L186-S190 WeakPolarHBondContact O-CB 3.32Å; L186-S190 PolarHBondContact O-N 2.91Å; L186-S190 PolarHBondContact O-OG 3.39Å |
| 187 | L | 96.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -43.7 | 177.9 | -69.7 | 175.6 | 0 | 0 | 0 | 112.3 | M63 A153 T183 L189 S190 L191 E234 | M63-L187 HydrophobicContact SD-CD2 4.32Å; A153-L187 HydrophobicContact CB-CB 4.33Å; T183-L187 HydrophobicContact CG2-CD1 3.96Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 WeakPolarHBondContact O-CB 3.32Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.23Å; T183-L187 PolarHBondContact O-N 3.13Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.06Å; L187-S190 PolarHBondContact O-N 3.28Å; L187-L191 HydrophobicContact CB-CD1 4.02Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CD2-CG 4.39Å; L187-L191 VanDerWaalsContact O-CB 3.26Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.61Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.39Å |
| 188 | L | 97.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.9 | -34.2 | -179.9 | -176.3 | 61.4 | 0 | 0 | 0 | 112.4 | I150 A153 V154 I157 A184 L185 L186 P192 | I150-L188 HydrophobicContact CG2-CD1 4.01Å; A153-L188 HydrophobicContact CB-CB 4.39Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.44Å; I157-L188 HydrophobicContact CD1-CD2 3.84Å; A184-L188 WeakPolarHBondContact O-CB 3.43Å; A184-L188 PolarHBondContact O-N 3.17Å; L185-L188 PolarHBondContact O-N 3.39Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.42Å; L188-P192 VanDerWaalsContact O-CD 3.31Å; L188-P192 WeakPolarHBondContact O-CD 3.47Å; L188-P192 WeakPolarHBondContact O-CG 3.29Å |
| 189 | L | 97.8 | Very high | 98.1 | Very high | 127 Ų | 127 | 38 Ų | 38 | 67% | 0.665 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -86.5 | -31.2 | -179.4 | -65.8 | 174.8 | 0 | 0 | 0 | 112.9 | L185 L186 L187 | L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.28Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.17Å; L186-L189 PolarHBondContact O-N 3.28Å; L186-L189 VanDerWaalsContact O-N 3.14Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.06Å |
| 190 | S | 97 | Very high | 98.1 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -91.8 | -42.8 | -172.2 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | L186 L187 P192 V193 L194 | L186-S190 VanDerWaalsContact O-CB 3.24Å; L186-S190 WeakPolarHBondContact O-CB 3.32Å; L186-S190 PolarHBondContact O-N 2.91Å; L186-S190 PolarHBondContact O-OG 3.39Å; L187-S190 PolarHBondContact O-N 3.28Å; S190-P192 VanDerWaalsContact C-CD 3.48Å; S190-V193 WeakPolarHBondContact O-CB 3.43Å; S190-V193 PolarHBondContact O-N 2.82Å; S190-L194 PolarHBondContact O-N 3.43Å |
| 191 | L | 97.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | -175.2 | -74.5 | 169.1 | 0 | 0 | 0 | 114.8 | S149 I150 L187 V193 L194 A195 F230 | S149-L191 VanDerWaalsContact CB-CD1 3.49Å; I150-L191 HydrophobicContact CD1-CB 3.91Å; I150-L191 HydrophobicContact CG1-CB 3.89Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; L187-L191 HydrophobicContact CB-CD1 4.02Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CD2-CG 4.39Å; L187-L191 VanDerWaalsContact O-CB 3.26Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.61Å; L191-V193 PolarHBondContact O-N 3.47Å; L191-L194 HydrophobicContact CD2-CD2 4.46Å; L191-L194 PolarHBondContact O-N 3.15Å; L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.42Å; L191-F230 HydrophobicContact CD2-CD2 4.04Å; L191-F230 HydrophobicContact CD2-CE2 3.43Å; L191-F230 VanDerWaalsContact CD2-CE2 3.43Å; L191-F230 HydrophobicContact CD2-CZ 4.17Å; L191-F230 HydrophobicContact CG-CE2 4.18Å |
| 192 | P | 98.3 | Very high | 98.1 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59 | -31.6 | 174.4 | -26.8 | 36.6 | 0 | 0 | 0 | 113.3 | I150 L188 S190 G196 | I150-P192 HydrophobicContact CD1-CG 4.43Å; L188-P192 VanDerWaalsContact O-CD 3.31Å; L188-P192 WeakPolarHBondContact O-CD 3.47Å; L188-P192 WeakPolarHBondContact O-CG 3.29Å; S190-P192 VanDerWaalsContact C-CD 3.48Å; P192-G196 PolarHBondContact O-N 3.21Å |
| 193 | V | 98.4 | Very high | 98.1 | Very high | 37 Ų | 37 | 35 Ų | 35 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.6 | -42.9 | 178.3 | -177 | 0 | 0 | 0 | 0 | 110.9 | S190 L191 G196 A197 L226 F229 | S190-V193 WeakPolarHBondContact O-CB 3.43Å; S190-V193 PolarHBondContact O-N 2.82Å; L191-V193 PolarHBondContact O-N 3.47Å; V193-G196 PolarHBondContact O-N 2.6Å; V193-A197 PolarHBondContact O-N 3.08Å; V193-L226 HydrophobicContact CG1-CB 4.21Å; V193-L226 HydrophobicContact CG1-CD2 3.88Å; V193-F229 HydrophobicContact CB-CD1 3.81Å; V193-F229 HydrophobicContact CB-CE1 4.33Å; V193-F229 HydrophobicContact CG1-CB 4.21Å; V193-F229 HydrophobicContact CG1-CD1 3.79Å; V193-F229 HydrophobicContact CG1-CG 4.25Å; V193-F229 HydrophobicContact CG2-CD1 3.59Å; V193-F229 HydrophobicContact CG2-CE1 3.6Å |
| 194 | L | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -51.8 | 171.1 | 176.6 | 68.1 | 0 | 0 | 0 | 110.8 | S190 L191 G196 A197 I198 F227 F230 | S190-L194 PolarHBondContact O-N 3.43Å; L191-L194 HydrophobicContact CD2-CD2 4.46Å; L191-L194 PolarHBondContact O-N 3.15Å; L194-G196 PolarHBondContact O-N 3.27Å; L194-A197 WeakPolarHBondContact O-CA 3.46Å; L194-A197 WeakPolarHBondContact O-CB 3.43Å; L194-A197 PolarHBondContact O-N 2.6Å; L194-I198 HydrophobicContact CD1-CG2 4Å; L194-I198 WeakPolarHBondContact O-CG1 3.33Å; L194-I198 PolarHBondContact O-N 3.3Å; L194-F227 HydrophobicContact CD1-CD2 3.98Å; L194-F227 HydrophobicContact CD1-CE2 4.2Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.85Å; L194-F230 HydrophobicContact CB-CD2 4.01Å; L194-F230 HydrophobicContact CB-CE1 4.45Å; L194-F230 HydrophobicContact CB-CG 3.59Å; L194-F230 HydrophobicContact CD1-CD1 3.83Å; L194-F230 HydrophobicContact CD1-CE1 4.2Å; L194-F230 HydrophobicContact CD1-CG 4.45Å; L194-F230 HydrophobicContact CD2-CD1 3.85Å; L194-F230 HydrophobicContact CD2-CD2 4.39Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.24Å; L194-F230 HydrophobicContact CD2-CZ 3.77Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.29Å; L194-F230 HydrophobicContact CG-CG 4.29Å |
| 195 | A | 98.3 | Very high | 98.1 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.6 | -41.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L191 T199 | L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.42Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.26Å; A195-T199 PolarHBondContact O-N 2.93Å; A195-T199 PolarHBondContact O-OG1 3.47Å |
| 196 | G | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P192 V193 L194 T199 M200 | P192-G196 PolarHBondContact O-N 3.21Å; V193-G196 PolarHBondContact O-N 2.6Å; L194-G196 PolarHBondContact O-N 3.27Å; G196-T199 PolarHBondContact O-N 3.36Å; G196-M200 WeakPolarHBondContact O-CE 3.34Å; G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.45Å |
| 197 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -49.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V193 L194 T199 M200 L201 Y223 L226 | V193-A197 PolarHBondContact O-N 3.08Å; L194-A197 WeakPolarHBondContact O-CA 3.46Å; L194-A197 WeakPolarHBondContact O-CB 3.43Å; L194-A197 PolarHBondContact O-N 2.6Å; A197-T199 VanDerWaalsContact C-N 3.35Å; A197-M200 PolarHBondContact O-N 2.87Å; A197-L201 PolarHBondContact O-N 3.48Å; A197-Y223 HydrophobicContact CB-CE2 4.33Å; A197-L226 HydrophobicContact CB-CB 3.74Å; A197-L226 HydrophobicContact CB-CD1 4.09Å |
| 198 | I | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.9 | -25.8 | -179.1 | 64.2 | 174.2 | 0 | 0 | 0 | 112.4 | I139 L142 H143 L194 L202 | I139-I198 HydrophobicContact CG1-CB 4.35Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.27Å; I139-I198 HydrophobicContact CG2-CG1 4.24Å; L142-I198 HydrophobicContact CB-CD1 3.85Å; H143-I198 VanDerWaalsContact CE1-CD1 3.49Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.41Å; H143-I198 VanDerWaalsContact CE1-CG1 3.41Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.37Å; L194-I198 HydrophobicContact CD1-CG2 4Å; L194-I198 WeakPolarHBondContact O-CG1 3.33Å; L194-I198 PolarHBondContact O-N 3.3Å; I198-L202 WeakPolarHBondContact O-CB 3.25Å; I198-L202 PolarHBondContact O-N 2.98Å |
| 199 | T | 98.7 | Very high | 98 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 36% | 0.362 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.8 | -46.5 | 169.6 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | H143 A195 G196 A197 L201 L202 T203 | H143-T199 PolarHBondContact NE2-OG1 2.8Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.26Å; A195-T199 PolarHBondContact O-N 2.93Å; A195-T199 PolarHBondContact O-OG1 3.47Å; G196-T199 PolarHBondContact O-N 3.36Å; A197-T199 VanDerWaalsContact C-N 3.35Å; T199-L201 PolarHBondContact O-N 3.36Å; T199-L202 WeakPolarHBondContact O-CB 3.23Å; T199-L202 PolarHBondContact O-N 3.27Å; T199-L202 VanDerWaalsContact O-N 3.07Å; T199-T203 WeakPolarHBondContact O-CG2 3.17Å; T199-T203 PolarHBondContact O-N 2.89Å |
| 200 | M | 98.7 | Very high | 98 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 21% | 0.207 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 174.8 | -75.4 | -176.9 | -75.8 | 0 | 0 | 111.4 | G196 A197 T203 D204 F211 F212 L226 | G196-M200 WeakPolarHBondContact O-CE 3.34Å; G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.45Å; A197-M200 PolarHBondContact O-N 2.87Å; M200-T203 PolarHBondContact O-N 3.03Å; M200-T203 PolarHBondContact O-OG1 3.12Å; M200-D204 PolarHBondContact O-N 2.8Å; M200-F211 HydrophobicContact CB-CB 4.2Å; M200-F211 HydrophobicContact CB-CD2 3.74Å; M200-F211 HydrophobicContact CB-CE2 4.25Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.08Å; M200-F211 HydrophobicContact CG-CD2 3.82Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.9Å; M200-F211 HydrophobicContact CG-CG 3.92Å; M200-F211 HydrophobicContact CG-CZ 4.07Å; M200-F211 HydrophobicContact SD-CB 4.48Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 VanDerWaalsContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.42Å; M200-F211 HydrophobicContact SD-CE1 3.83Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.34Å; M200-F212 HydrophobicContact CB-CE2 3.63Å; M200-F212 HydrophobicContact CB-CZ 3.75Å; M200-F212 HydrophobicContact CE-CZ 4.26Å; M200-F212 HydrophobicContact SD-CZ 4.48Å; M200-L226 HydrophobicContact CE-CD1 3.34Å |
| 201 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.1 | 178 | 62.9 | 0 | 0 | 0 | 111.1 | V120 P122 S125 I139 A197 T199 T203 D204 R205 F212 Y223 | V120-L201 HydrophobicContact CG1-CD2 3.82Å; P122-L201 HydrophobicContact CB-CD1 4.13Å; P122-L201 HydrophobicContact CG-CD1 4.46Å; S125-L201 WeakPolarHBondContact OG-CD2 3.33Å; I139-L201 HydrophobicContact CD1-CD2 4.02Å; I139-L201 HydrophobicContact CD1-CG 4.15Å; A197-L201 PolarHBondContact O-N 3.48Å; T199-L201 PolarHBondContact O-N 3.36Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 3.01Å; L201-D204 PolarHBondContact O-N 3.07Å; L201-R205 HydrophobicContact CD1-CG 4.38Å; L201-R205 WeakPolarHBondContact O-CB 3.41Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 2.95Å; L201-F212 HydrophobicContact CB-CD2 4.31Å; L201-F212 HydrophobicContact CB-CE2 4.02Å; L201-F212 HydrophobicContact CD1-CD2 4.38Å; L201-Y223 HydrophobicContact CB-CE2 4.17Å; L201-Y223 HydrophobicContact CD2-CE2 3.95Å |
| 202 | L | 98.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 176.4 | -172.2 | 69.2 | 0 | 0 | 0 | 111.6 | D136 I139 F140 I198 T199 R205 N206 | D136-L202 HydrophobicContact CB-CD1 3.87Å; D136-L202 VanDerWaalsContact OD1-CD1 3.25Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.43Å; I139-L202 HydrophobicContact CD1-CB 4.27Å; I139-L202 HydrophobicContact CD1-CD1 4.26Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.36Å; I139-L202 HydrophobicContact CG2-CD2 4.4Å; F140-L202 HydrophobicContact CE1-CD2 3.86Å; F140-L202 HydrophobicContact CZ-CD1 4.48Å; F140-L202 HydrophobicContact CZ-CD2 3.85Å; I198-L202 WeakPolarHBondContact O-CB 3.25Å; I198-L202 PolarHBondContact O-N 2.98Å; T199-L202 WeakPolarHBondContact O-CB 3.23Å; T199-L202 PolarHBondContact O-N 3.27Å; T199-L202 VanDerWaalsContact O-N 3.07Å; L202-R205 PolarHBondContact O-N 3.36Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.4Å; L202-N206 WeakPolarHBondContact O-CB 3.33Å; L202-N206 PolarHBondContact O-N 2.87Å; L202-N206 PolarHBondContact O-ND2 3.31Å |
| 203 | T | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.4 | -35.8 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 112.4 | T199 M200 L201 R205 N206 L207 N208 T209 | T199-T203 WeakPolarHBondContact O-CG2 3.17Å; T199-T203 PolarHBondContact O-N 2.89Å; M200-T203 PolarHBondContact O-N 3.03Å; M200-T203 PolarHBondContact O-OG1 3.12Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 3.01Å; T203-R205 PolarHBondContact O-N 2.91Å; T203-N206 PolarHBondContact O-N 3.41Å; T203-L207 HydrophobicContact CG2-CD1 3.88Å; T203-L207 CarbonylContact O-C 3.57Å; T203-L207 WeakPolarHBondContact O-CA 3.21Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 PolarHBondContact O-N 3.33Å; T203-N208 PolarHBondContact O-N 2.93Å; T203-T209 WeakPolarHBondContact CB-OG1 3.33Å; T203-T209 PolarHBondContact O-OG1 3.5Å; T203-T209 PolarHBondContact OG1-OG1 3.32Å |
| 204 | D | 98.2 | Very high | 98 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 173.8 | -82.9 | 10.8 | 0 | 0 | 0 | 110.8 | M200 L201 T209 S210 F211 F212 | M200-D204 PolarHBondContact O-N 2.8Å; L201-D204 PolarHBondContact O-N 3.07Å; D204-T209 VanDerWaalsContact CA-OG1 3.31Å; D204-T209 WeakPolarHBondContact CA-OG1 3.35Å; D204-T209 PolarHBondContact N-OG1 3Å; D204-T209 WeakPolarHBondContact OD1-CB 3.44Å; D204-T209 VanDerWaalsContact OD1-O 3.14Å; D204-T209 PolarHBondContact OD1-OG1 2.91Å; D204-S210 PolarHBondContact OD1-N 3.37Å; D204-S210 VanDerWaalsContact OD1-N 3.12Å; D204-F211 VanDerWaalsContact CG-N 3.34Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.35Å; D204-F211 PolarHBondContact OD1-N 3.19Å; D204-F211 PolarHBondContact OD2-N 2.89Å; D204-F212 PolarHBondContact OD2-N 3.45Å |
| 205 | R | 97.6 | Very high | 97.9 | Very high | 30 Ų | 30 | 51 Ų | 51 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.3 | -38 | 177.7 | -70.7 | 170.7 | 57.3 | 65.6 | 16.5 | 113.8 | S125 H130 G132 D136 L201 L202 T203 | S125-R205 WeakPolarHBondContact O-CD 3.44Å; S125-R205 PolarHBondContact O-NH1 2.59Å; H130-R205 PolarHBondContact O-NH1 2.75Å; H130-R205 PolarHBondContact O-NH2 2.75Å; G132-R205 PolarHBondContact O-NH2 3.09Å; D136-R205 IonicContact OD1-CZ 3.47Å; D136-R205 IonicContact OD1-NE 2.74Å; D136-R205 PolarHBondContact OD1-NE 2.94Å; D136-R205 IonicContact OD1-NH2 3.32Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.87Å; D136-R205 IonicContact OD2-NH2 2.98Å; D136-R205 PolarHBondContact OD2-NH2 3.46Å; L201-R205 HydrophobicContact CD1-CG 4.38Å; L201-R205 WeakPolarHBondContact O-CB 3.41Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 2.95Å; L202-R205 PolarHBondContact O-N 3.36Å; T203-R205 PolarHBondContact O-N 2.91Å |
| 206 | N | 98.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -121 | -20.1 | -164 | -64.6 | -79.3 | 0 | 0 | 0 | 115.3 | D136 L202 T203 | D136-N206 PolarHBondContact OD1-ND2 3.21Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.4Å; L202-N206 WeakPolarHBondContact O-CB 3.33Å; L202-N206 PolarHBondContact O-N 2.87Å; L202-N206 PolarHBondContact O-ND2 3.31Å; T203-N206 PolarHBondContact O-N 3.41Å |
| 207 | L | 97.7 | Very high | 97.6 | Very high | 122 Ų | 122 | 53.8 Ų | 53.8 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -121.8 | 14.5 | -172 | -58.3 | -177.5 | 0 | 0 | 0 | 113.2 | T203 T209 | T203-L207 HydrophobicContact CG2-CD1 3.88Å; T203-L207 CarbonylContact O-C 3.57Å; T203-L207 WeakPolarHBondContact O-CA 3.21Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 PolarHBondContact O-N 3.33Å; L207-T209 PolarHBondContact O-N 3.09Å |
| 208 | N | 96 | Very high | 97.6 | Very high | 160 Ų | 160 | 54.5 Ų | 54.5 | 86% | 0.856 | 34% | 0.341 | S | S | * | . | trans | 55.2 | 32.5 | 179.6 | -55 | -57.2 | 0 | 0 | 0 | 113.7 | T203 | T203-N208 PolarHBondContact O-N 2.93Š| ||
| 209 | T | 97.9 | Very high | 97.6 | Very high | 50 Ų | 50 | 58 Ų | 58 | 31% | 0.307 | 36% | 0.36 | S | S | . | . | trans | -79.4 | 168.2 | 165.2 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | T203 D204 L207 F211 | T203-T209 WeakPolarHBondContact CB-OG1 3.33Å; T203-T209 PolarHBondContact O-OG1 3.5Å; T203-T209 PolarHBondContact OG1-OG1 3.32Å; D204-T209 VanDerWaalsContact CA-OG1 3.31Å; D204-T209 WeakPolarHBondContact CA-OG1 3.35Å; D204-T209 PolarHBondContact N-OG1 3Å; D204-T209 WeakPolarHBondContact OD1-CB 3.44Å; D204-T209 VanDerWaalsContact OD1-O 3.14Å; D204-T209 PolarHBondContact OD1-OG1 2.91Å; L207-T209 PolarHBondContact O-N 3.09Å; T209-F211 HydrophobicContact CG2-CE2 4.26Å | ||
| 210 | S | 97.5 | Very high | 97.5 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | trans | -138.4 | 48.2 | -176.9 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | D204 F212 G216 G218 | D204-S210 PolarHBondContact OD1-N 3.37Å; D204-S210 VanDerWaalsContact OD1-N 3.12Å; S210-F212 VanDerWaalsContact C-N 3.35Å; S210-G216 PolarHBondContact OG-O 2.94Å; S210-G216 VanDerWaalsContact OG-O 3.05Å; S210-G218 VanDerWaalsContact O-CA 3.23Å; S210-G218 WeakPolarHBondContact O-CA 3.46Å; S210-G218 PolarHBondContact O-N 3.12Å | ||
| 211 | F | 98.4 | Very high | 97.5 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 40% | 0.395 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -63.5 | -40.8 | 176.7 | -70.8 | -76.8 | 0 | 0 | 0 | 112.2 | M200 D204 T209 G218 D219 | M200-F211 HydrophobicContact CB-CB 4.2Å; M200-F211 HydrophobicContact CB-CD2 3.74Å; M200-F211 HydrophobicContact CB-CE2 4.25Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.08Å; M200-F211 HydrophobicContact CG-CD2 3.82Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.9Å; M200-F211 HydrophobicContact CG-CG 3.92Å; M200-F211 HydrophobicContact CG-CZ 4.07Å; M200-F211 HydrophobicContact SD-CB 4.48Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 VanDerWaalsContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.42Å; M200-F211 HydrophobicContact SD-CE1 3.83Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.34Å; D204-F211 VanDerWaalsContact CG-N 3.34Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.35Å; D204-F211 PolarHBondContact OD1-N 3.19Å; D204-F211 PolarHBondContact OD2-N 2.89Å; T209-F211 HydrophobicContact CG2-CE2 4.26Å; F211-G218 WeakPolarHBondContact O-CA 3.28Å; F211-D219 PolarHBondContact O-N 2.84Å; F211-D219 VanDerWaalsContact O-N 3.12Å |
| 212 | F | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 1% | 0.013 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -118.1 | -2.3 | -173.5 | -49.9 | -56.3 | 0 | 0 | 0 | 113.7 | P122 M200 L201 D204 S210 P214 P220 L222 Y223 L226 | P122-F212 HydrophobicContact CB-CB 3.92Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.84Å; M200-F212 HydrophobicContact CB-CE2 3.63Å; M200-F212 HydrophobicContact CB-CZ 3.75Å; M200-F212 HydrophobicContact CE-CZ 4.26Å; M200-F212 HydrophobicContact SD-CZ 4.48Å; L201-F212 HydrophobicContact CB-CD2 4.31Å; L201-F212 HydrophobicContact CB-CE2 4.02Å; L201-F212 HydrophobicContact CD1-CD2 4.38Å; D204-F212 PolarHBondContact OD2-N 3.45Å; S210-F212 VanDerWaalsContact C-N 3.35Å; F212-P214 WeakPolarHBondContact O-CD 3.29Å; F212-P220 VanDerWaalsContact O-CD 3.25Å; F212-P220 WeakPolarHBondContact O-CD 3.25Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.28Å; F212-L222 HydrophobicContact CD1-CB 4.37Å; F212-L222 HydrophobicContact CE1-CB 4.26Å; F212-L222 HydrophobicContact CE1-CD2 4.16Å; F212-L222 HydrophobicContact CE1-CG 4.08Å; F212-Y223 HydrophobicContact CD2-CD2 4.09Å; F212-Y223 HydrophobicContact CE1-CD2 4.21Å; F212-Y223 HydrophobicContact CE1-CG 4.45Å; F212-Y223 AromaticContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CE2 4.47Å; F212-Y223 AromaticContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; F212-L226 HydrophobicContact CE1-CD1 4.3Å; F212-L226 HydrophobicContact CZ-CD1 4.32Å |
| 213 | D | 97 | Very high | 97.5 | Very high | 60 Ų | 60 | 60.3 Ų | 60.3 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | trans | -89.4 | 112.3 | 177.7 | -178.8 | 5.9 | 0 | 0 | 0 | 111.7 | A215 G216 G217 G218 | D213-A215 PolarHBondContact O-N 3.38Å; D213-A215 WeakPolarHBondContact OD1-CB 3.47Å; D213-A215 PolarHBondContact OD1-N 3.05Å; D213-G216 CarbonylContact O-C 3.53Å; D213-G216 PolarHBondContact O-N 2.95Å; D213-G217 PolarHBondContact O-N 3.19Å; D213-G218 WeakPolarHBondContact O-CA 3.41Å; D213-G218 PolarHBondContact O-N 3.37Å | ||
| 214 | P | 96.6 | Very high | 97.5 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -57.9 | -28.9 | 176.9 | -24.3 | 35.1 | 0 | 0 | 0 | 114.5 | F212 G216 G217 G218 P220 | F212-P214 WeakPolarHBondContact O-CD 3.29Å; P214-G216 PolarHBondContact O-N 3.06Å; P214-G217 PolarHBondContact O-N 3.47Å; P214-G217 VanDerWaalsContact O-N 3.12Å; P214-G218 WeakPolarHBondContact CA-O 3.08Å; P214-P220 HydrophobicContact CG-CG 3.96Å |
| 215 | A | 95.4 | Very high | 97.5 | Very high | 94 Ų | 94 | 67.8 Ų | 67.8 | 78% | 0.777 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -66.5 | -28.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D213 | D213-A215 PolarHBondContact O-N 3.38Å; D213-A215 WeakPolarHBondContact OD1-CB 3.47Å; D213-A215 PolarHBondContact OD1-N 3.05Å |
| 216 | G | 94.9 | Very high | 97.5 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 46% | 0.464 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -98.5 | 11.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S210 D213 P214 | S210-G216 PolarHBondContact OG-O 2.94Å; S210-G216 VanDerWaalsContact OG-O 3.05Å; D213-G216 CarbonylContact O-C 3.53Å; D213-G216 PolarHBondContact O-N 2.95Å; P214-G216 PolarHBondContact O-N 3.06Å |
| 217 | G | 96.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 64.3 Ų | 64.3 | 75% | 0.753 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 8.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D213 P214 | D213-G217 PolarHBondContact O-N 3.19Å; P214-G217 PolarHBondContact O-N 3.47Å; P214-G217 VanDerWaalsContact O-N 3.12Å |
| 218 | G | 97.8 | Very high | 97.6 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | trans | -77.8 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S210 F211 D213 P214 | S210-G218 VanDerWaalsContact O-CA 3.23Å; S210-G218 WeakPolarHBondContact O-CA 3.46Å; S210-G218 PolarHBondContact O-N 3.12Å; F211-G218 WeakPolarHBondContact O-CA 3.28Å; D213-G218 WeakPolarHBondContact O-CA 3.41Å; D213-G218 PolarHBondContact O-N 3.37Å; P214-G218 WeakPolarHBondContact CA-O 3.08Å | ||
| 219 | D | 98.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 62.3 Ų | 62.3 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | trans | -133.3 | 112.6 | 179.8 | -176.3 | 4 | 0 | 0 | 0 | 111.6 | F211 N221 L222 | F211-D219 PolarHBondContact O-N 2.84Å; F211-D219 VanDerWaalsContact O-N 3.12Å; D219-N221 PolarHBondContact O-N 3.29Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 VanDerWaalsContact OD1-CB 3.29Å; D219-N221 WeakPolarHBondContact OD1-CB 3.4Å; D219-N221 PolarHBondContact OD1-N 3.05Å; D219-N221 PolarHBondContact OD1-ND2 2.58Å; D219-N221 VanDerWaalsContact OD1-ND2 3.16Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.38Å; D219-L222 PolarHBondContact O-N 2.95Å | ||
| 220 | P | 97.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.156 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.2 | -26.2 | 172.7 | -25.3 | 32.6 | 0 | 0 | 0 | 114.2 | F212 P214 L222 Y223 Q224 | F212-P220 VanDerWaalsContact O-CD 3.25Å; F212-P220 WeakPolarHBondContact O-CD 3.25Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.28Å; P214-P220 HydrophobicContact CG-CG 3.96Å; P220-L222 VanDerWaalsContact C-N 3.3Å; P220-L222 PolarHBondContact O-N 3.23Å; P220-Y223 WeakPolarHBondContact O-CB 3.47Å; P220-Y223 PolarHBondContact O-N 3.4Å; P220-Q224 PolarHBondContact O-N 3.4Å |
| 221 | N | 98.2 | Very high | 97.3 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.8 | -27.5 | 176.3 | -60.3 | -50.1 | 0 | 0 | 0 | 112.2 | D219 Y223 Q224 H225 | D219-N221 PolarHBondContact O-N 3.29Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 VanDerWaalsContact OD1-CB 3.29Å; D219-N221 WeakPolarHBondContact OD1-CB 3.4Å; D219-N221 PolarHBondContact OD1-N 3.05Å; D219-N221 PolarHBondContact OD1-ND2 2.58Å; D219-N221 VanDerWaalsContact OD1-ND2 3.16Å; N221-Y223 PolarHBondContact O-N 3.06Å; N221-Q224 WeakPolarHBondContact O-CB 3.33Å; N221-Q224 PolarHBondContact O-N 3.04Å; N221-Q224 VanDerWaalsContact O-N 3.09Å; N221-Q224 PolarHBondContact OD1-NE2 2.86Å; N221-H225 PolarHBondContact O-CD2 3.12Å; N221-H225 PolarHBondContact O-N 2.87Å |
| 222 | L | 98.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 171.4 | 177.1 | 61.9 | 0 | 0 | 0 | 110.4 | F212 D219 P220 Q224 H225 L226 | F212-L222 HydrophobicContact CD1-CB 4.37Å; F212-L222 HydrophobicContact CE1-CB 4.26Å; F212-L222 HydrophobicContact CE1-CD2 4.16Å; F212-L222 HydrophobicContact CE1-CG 4.08Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.38Å; D219-L222 PolarHBondContact O-N 2.95Å; P220-L222 VanDerWaalsContact C-N 3.3Å; P220-L222 PolarHBondContact O-N 3.23Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.45Å; L222-H225 PolarHBondContact O-N 3.46Å; L222-L226 HydrophobicContact CD1-CD1 4.24Å; L222-L226 HydrophobicContact CD1-CG 4.24Å; L222-L226 HydrophobicContact CG-CD1 4.02Å; L222-L226 HydrophobicContact CG-CG 4.47Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.79Å |
| 223 | Y | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 175 | -174.2 | -77.9 | 0 | 0 | 0 | 110.9 | T119 Y121 P122 A197 L201 F212 P220 N221 H225 L226 F227 | T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.3Å; Y121-Y223 AromaticContact CD1-CD1 3.51Å; Y121-Y223 HydrophobicContact CD1-CD1 3.51Å; Y121-Y223 AromaticContact CD1-CE1 3.63Å; Y121-Y223 HydrophobicContact CD1-CE1 3.63Å; Y121-Y223 AromaticContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CE1 4.07Å; P122-Y223 VanDerWaalsContact CD-CG 3.41Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.88Å; A197-Y223 HydrophobicContact CB-CE2 4.33Å; L201-Y223 HydrophobicContact CB-CE2 4.17Å; L201-Y223 HydrophobicContact CD2-CE2 3.95Å; F212-Y223 HydrophobicContact CD2-CD2 4.09Å; F212-Y223 HydrophobicContact CE1-CD2 4.21Å; F212-Y223 HydrophobicContact CE1-CG 4.45Å; F212-Y223 AromaticContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CE2 4.47Å; F212-Y223 AromaticContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; P220-Y223 WeakPolarHBondContact O-CB 3.47Å; P220-Y223 PolarHBondContact O-N 3.4Å; N221-Y223 PolarHBondContact O-N 3.06Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.37Å; Y223-L226 PolarHBondContact O-N 2.88Å; Y223-F227 HydrophobicContact CD1-CB 4.14Å; Y223-F227 HydrophobicContact CE1-CB 3.83Å; Y223-F227 AromaticContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CG 4.18Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.32Å; Y223-F227 PolarHBondContact O-N 3.48Å |
| 224 | Q | 98.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 179.3 | -60.6 | -174.5 | 43.7 | 0 | 0 | 111.9 | Y121 P220 N221 L222 F227 W228 | Y121-Q224 HydrophobicContact CD1-CG 4.12Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.73Å; Y121-Q224 HydrophobicContact CE2-CG 4.34Å; P220-Q224 PolarHBondContact O-N 3.4Å; N221-Q224 WeakPolarHBondContact O-CB 3.33Å; N221-Q224 PolarHBondContact O-N 3.04Å; N221-Q224 VanDerWaalsContact O-N 3.09Å; N221-Q224 PolarHBondContact OD1-NE2 2.86Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.45Å; Q224-F227 PolarHBondContact O-N 3.14Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å |
| 225 | H | 98.4 | Very high | 95.9 | Very high | 139 Ų | 139 | 63.7 Ų | 63.7 | 64% | 0.644 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61 | -46.9 | 176.2 | -75.4 | -61.5 | 0 | 0 | 0 | 112.1 | N221 L222 Y223 F229 | N221-H225 PolarHBondContact O-CD2 3.12Å; N221-H225 PolarHBondContact O-N 2.87Å; L222-H225 PolarHBondContact O-N 3.46Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.37Å; H225-F229 VanDerWaalsContact O-CB 3.27Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.32Å |
| 226 | L | 98.4 | Very high | 96 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 20% | 0.199 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 178.8 | -63.6 | 168.1 | 0 | 0 | 0 | 111.6 | V193 A197 M200 F212 L222 Y223 F230 | V193-L226 HydrophobicContact CG1-CB 4.21Å; V193-L226 HydrophobicContact CG1-CD2 3.88Å; A197-L226 HydrophobicContact CB-CB 3.74Å; A197-L226 HydrophobicContact CB-CD1 4.09Å; M200-L226 HydrophobicContact CE-CD1 3.34Å; F212-L226 HydrophobicContact CE1-CD1 4.3Å; F212-L226 HydrophobicContact CZ-CD1 4.32Å; L222-L226 HydrophobicContact CD1-CD1 4.24Å; L222-L226 HydrophobicContact CD1-CG 4.24Å; L222-L226 HydrophobicContact CG-CD1 4.02Å; L222-L226 HydrophobicContact CG-CG 4.47Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.79Å; Y223-L226 PolarHBondContact O-N 2.88Å; L226-F230 PolarHBondContact O-N 2.74Å |
| 227 | F | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 178 | -176.5 | -88.3 | 0 | 0 | 0 | 111.1 | W118 T119 Y121 L194 Y223 Q224 F230 G231 | W118-F227 HydrophobicContact CD2-CZ 4.25Å; W118-F227 AromaticContact CE3-CZ 3.76Å; W118-F227 HydrophobicContact CE3-CZ 3.76Å; W118-F227 AromaticContact CH2-CE1 3.81Å; W118-F227 HydrophobicContact CH2-CE1 3.81Å; W118-F227 AromaticContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CZ2-CE1 4.1Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.07Å; W118-F227 AromaticContact CZ3-CZ 3.51Å; W118-F227 HydrophobicContact CZ3-CZ 3.51Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.69Å; T119-F227 HydrophobicContact CG2-CZ 3.91Å; Y121-F227 HydrophobicContact CE1-CD1 4.47Å; Y121-F227 HydrophobicContact CE1-CG 4.46Å; L194-F227 HydrophobicContact CD1-CD2 3.98Å; L194-F227 HydrophobicContact CD1-CE2 4.2Å; Y223-F227 HydrophobicContact CD1-CB 4.14Å; Y223-F227 HydrophobicContact CE1-CB 3.83Å; Y223-F227 AromaticContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CG 4.18Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.32Å; Y223-F227 PolarHBondContact O-N 3.48Å; Q224-F227 PolarHBondContact O-N 3.14Å; F227-F230 CarbonylContact O-C 3.56Å; F227-F230 WeakPolarHBondContact O-CB 3.31Å; F227-F230 PolarHBondContact O-N 3.32Å; F227-G231 PolarHBondContact O-N 2.93Å |
| 228 | W | 98.3 | Very high | 96 | Very high | 112 Ų | 112 | 62.6 Ų | 62.6 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.5 | -21.8 | -177.6 | -73.4 | 120.5 | 0 | 0 | 0 | 114.3 | W118 T119 Y121 Q224 F230 G231 H232 | W118-W228 HydrophobicContact CH2-CH2 4.42Å; W118-W228 HydrophobicContact CH2-CZ3 4.35Å; W118-W228 AromaticContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CZ3 4.19Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å; Y121-W228 PolarHBondContact OH-NE1 2.98Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å; W228-F230 PolarHBondContact O-N 3.28Å; W228-G231 PolarHBondContact O-N 3.3Å; W228-H232 PolarHBondContact O-N 2.8Å |
| 229 | F | 97.7 | Very high | 95.9 | Very high | 127 Ų | 127 | 65.4 Ų | 65.4 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58 | -37.1 | 165.3 | -175.4 | -83.5 | 0 | 0 | 0 | 110.8 | V193 H225 P233 | V193-F229 HydrophobicContact CB-CD1 3.81Å; V193-F229 HydrophobicContact CB-CE1 4.33Å; V193-F229 HydrophobicContact CG1-CB 4.21Å; V193-F229 HydrophobicContact CG1-CD1 3.79Å; V193-F229 HydrophobicContact CG1-CG 4.25Å; V193-F229 HydrophobicContact CG2-CD1 3.59Å; V193-F229 HydrophobicContact CG2-CE1 3.6Å; H225-F229 VanDerWaalsContact O-CB 3.27Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.32Å; F229-P233 WeakPolarHBondContact O-CD 3.25Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.49Å |
| 230 | F | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -79.9 | -47.4 | 170.4 | 154.8 | -100.4 | 0 | 0 | 0 | 112.9 | F59 L191 L194 L226 F227 W228 H232 P233 E234 | F59-F230 HydrophobicContact CE1-CZ 4.02Å; F59-F230 HydrophobicContact CZ-CE1 4.16Å; F59-F230 AromaticContact CZ-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CZ 3.86Å; L191-F230 HydrophobicContact CD2-CD2 4.04Å; L191-F230 HydrophobicContact CD2-CE2 3.43Å; L191-F230 VanDerWaalsContact CD2-CE2 3.43Å; L191-F230 HydrophobicContact CD2-CZ 4.17Å; L191-F230 HydrophobicContact CG-CE2 4.18Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.85Å; L194-F230 HydrophobicContact CB-CD2 4.01Å; L194-F230 HydrophobicContact CB-CE1 4.45Å; L194-F230 HydrophobicContact CB-CG 3.59Å; L194-F230 HydrophobicContact CD1-CD1 3.83Å; L194-F230 HydrophobicContact CD1-CE1 4.2Å; L194-F230 HydrophobicContact CD1-CG 4.45Å; L194-F230 HydrophobicContact CD2-CD1 3.85Å; L194-F230 HydrophobicContact CD2-CD2 4.39Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.24Å; L194-F230 HydrophobicContact CD2-CZ 3.77Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.29Å; L194-F230 HydrophobicContact CG-CG 4.29Å; L226-F230 PolarHBondContact O-N 2.74Å; F227-F230 CarbonylContact O-C 3.56Å; F227-F230 WeakPolarHBondContact O-CB 3.31Å; F227-F230 PolarHBondContact O-N 3.32Å; W228-F230 PolarHBondContact O-N 3.28Å; F230-H232 VanDerWaalsContact C-N 3.32Å; F230-H232 PolarHBondContact O-N 2.93Å; F230-P233 WeakPolarHBondContact O-CD 3.41Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.29Å; F230-E234 HydrophobicContact CE2-CB 3.83Å; F230-E234 HydrophobicContact CE2-CG 3.99Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.26Å; F230-E234 HydrophobicContact CZ-CB 3.74Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.05Å |
| 231 | G | 92.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.4 | -25 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F227 W228 | F227-G231 PolarHBondContact O-N 2.93Å; W228-G231 PolarHBondContact O-N 3.3Å |
| 232 | H | 94.6 | Very high | 95.4 | Very high | 138 Ų | 138 | 66.4 Ų | 66.4 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -43.3 | 174.3 | -166.3 | 63.5 | 0 | 0 | 0 | 113.1 | W228 F230 E234 V235 | W228-H232 PolarHBondContact O-N 2.8Å; F230-H232 VanDerWaalsContact C-N 3.32Å; F230-H232 PolarHBondContact O-N 2.93Å; H232-E234 PolarHBondContact O-N 2.74Å; H232-V235 WeakPolarHBondContact O-CG2 3.4Å; H232-V235 PolarHBondContact O-N 3.23Å |
| 233 | P | 93.9 | Very high | 95.2 | Very high | 47 Ų | 47 | 66 Ų | 66 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.1 | 168.3 | -30.1 | 36.4 | 0 | 0 | 0 | 116 | F229 F230 | F229-P233 WeakPolarHBondContact O-CD 3.25Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.49Å; F230-P233 WeakPolarHBondContact O-CD 3.41Å |
| 234 | E | 90.8 | Very high | 94.9 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 15% | 0.15 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -25.7 | 179.2 | -179.6 | 59.2 | -155.8 | 0 | 0 | 113.8 | M63 L187 F230 H232 | M63-E234 WeakPolarHBondContact CE-OE1 3.45Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.39Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.29Å; F230-E234 HydrophobicContact CE2-CB 3.83Å; F230-E234 HydrophobicContact CE2-CG 3.99Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.26Å; F230-E234 HydrophobicContact CZ-CB 3.74Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.05Å; H232-E234 PolarHBondContact O-N 2.74Å |
| 235 | V | 81.6 | Confident | 94.6 | Very high | 147 Ų | 147 | 71.5 Ų | 71.5 | 89% | 0.891 | 35% | 0.349 | S | S | * | . | trans | -95.1 | 0 | -176.2 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | H232 | H232-V235 WeakPolarHBondContact O-CG2 3.4Å; H232-V235 PolarHBondContact O-N 3.23Å |
Retrieved 235 of 235 residues in 174.6 ms
(Link to these results)