| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 79.6 | Confident | 90.7 | Very high | 128 Ų | 128 | 48.2 Ų | 48.2 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | 0 | -43.1 | 0 | -64 | -61.1 | -83.7 | 0 | 0 | 113.7 | V3 G4 L5 F92 N173 | M1-V3 PolarHBondContact O-N 2.69Å; M1-G4 CarbonylContact O-C 3.58Å; M1-G4 WeakPolarHBondContact O-CA 3.32Å; M1-G4 PolarHBondContact O-N 3.37Å; M1-L5 PolarHBondContact O-N 3.27Å; M1-F92 HydrophobicContact CE-CD2 3.46Å; M1-F92 VanDerWaalsContact CE-CD2 3.46Å; M1-F92 HydrophobicContact CE-CE2 3.76Å; M1-F92 HydrophobicContact CE-CG 4.11Å; M1-N173 WeakPolarHBondContact CB-O 3.26Å; M1-N173 WeakPolarHBondContact CG-O 3.38Å | |||
| 2 | T | 86.1 | Confident | 91.2 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -49.5 | -52 | -175.1 | -50.7 | 0 | 0 | 0 | 0 | 114.5 | G4 L5 A6 T164 D174 L175 | T2-G4 PolarHBondContact O-N 3.05Å; T2-L5 PolarHBondContact O-N 3.41Å; T2-A6 PolarHBondContact O-N 3.45Å; T2-T164 HydrophobicContact CG2-CG2 4.46Å; T2-T164 VanDerWaalsContact CG2-OG1 3.23Å; T2-T164 WeakPolarHBondContact CG2-OG1 3.29Å; T2-D174 WeakPolarHBondContact OG1-CA 3.44Å; T2-D174 WeakPolarHBondContact OG1-CB 3.39Å; T2-L175 PolarHBondContact OG1-N 3.04Å |
| 3 | V | 86.2 | Confident | 91.7 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | M1 A6 V7 | M1-V3 PolarHBondContact O-N 2.69Å; V3-A6 PolarHBondContact O-N 3.16Å; V3-V7 HydrophobicContact CG1-CG2 4.19Å; V3-V7 WeakPolarHBondContact O-CB 3.24Å; V3-V7 VanDerWaalsContact O-CG2 3.28Å; V3-V7 WeakPolarHBondContact O-CG2 3.31Å; V3-V7 PolarHBondContact O-N 2.73Å |
| 4 | G | 90.1 | Very high | 92 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 T2 A6 V7 C8 | M1-G4 CarbonylContact O-C 3.58Å; M1-G4 WeakPolarHBondContact O-CA 3.32Å; M1-G4 PolarHBondContact O-N 3.37Å; T2-G4 PolarHBondContact O-N 3.05Å; G4-A6 PolarHBondContact O-N 2.88Å; G4-V7 PolarHBondContact O-N 3.38Å; G4-C8 WeakPolarHBondContact O-CB 3.43Å; G4-C8 PolarHBondContact O-N 3.37Å; G4-C8 PolarHBondContact O-SG 3.09Å |
| 5 | L | 89.9 | Confident | 92.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 174 | -173.3 | 88.9 | 0 | 0 | 0 | 110.5 | M1 T2 C8 A9 F92 V96 L99 T164 V167 V172 | M1-L5 PolarHBondContact O-N 3.27Å; T2-L5 PolarHBondContact O-N 3.41Å; L5-C8 PolarHBondContact O-N 2.89Å; L5-A9 WeakPolarHBondContact O-CB 3.44Å; L5-A9 PolarHBondContact O-N 3.49Å; L5-F92 HydrophobicContact CB-CD2 4.49Å; L5-F92 HydrophobicContact CB-CE2 3.83Å; L5-F92 HydrophobicContact CD1-CD2 3.55Å; L5-F92 HydrophobicContact CD1-CE2 3.59Å; L5-F92 HydrophobicContact CD1-CG 4.31Å; L5-F92 HydrophobicContact CD1-CZ 4.36Å; L5-F92 HydrophobicContact CG-CE2 4.33Å; L5-V96 HydrophobicContact CD1-CG2 3.92Å; L5-L99 HydrophobicContact CD2-CD1 3.64Å; L5-L99 HydrophobicContact CG-CD1 4.17Å; L5-T164 HydrophobicContact CD2-CG2 3.89Å; L5-V167 HydrophobicContact CD2-CB 4.12Å; L5-V167 HydrophobicContact CD2-CG1 4.36Å; L5-V167 HydrophobicContact CD2-CG2 3.98Å; L5-V172 HydrophobicContact CD1-CG1 4.43Å |
| 6 | A | 91.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T2 V3 G4 A9 L10 W157 L161 T164 | T2-A6 PolarHBondContact O-N 3.45Å; V3-A6 PolarHBondContact O-N 3.16Å; G4-A6 PolarHBondContact O-N 2.88Å; A6-A9 PolarHBondContact O-N 3.49Å; A6-L10 VanDerWaalsContact O-CB 3.26Å; A6-L10 WeakPolarHBondContact O-CB 3.37Å; A6-L10 PolarHBondContact O-N 3.21Å; A6-W157 HydrophobicContact CB-CH2 3.73Å; A6-W157 HydrophobicContact CB-CZ3 3.82Å; A6-L161 HydrophobicContact CB-CD2 3.7Å; A6-T164 HydrophobicContact CB-CG2 3.88Å |
| 7 | V | 93 | Very high | 92.9 | Very high | 60 Ų | 60 | 44.1 Ų | 44.1 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | -179.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | V3 G4 L10 I11 W157 | V3-V7 HydrophobicContact CG1-CG2 4.19Å; V3-V7 WeakPolarHBondContact O-CB 3.24Å; V3-V7 VanDerWaalsContact O-CG2 3.28Å; V3-V7 WeakPolarHBondContact O-CG2 3.31Å; V3-V7 PolarHBondContact O-N 2.73Å; G4-V7 PolarHBondContact O-N 3.38Å; V7-L10 WeakPolarHBondContact O-CB 3.36Å; V7-L10 PolarHBondContact O-N 3.18Å; V7-I11 HydrophobicContact CG1-CD1 3.94Å; V7-I11 WeakPolarHBondContact O-CG1 3.42Å; V7-I11 PolarHBondContact O-N 3.34Å; V7-W157 HydrophobicContact CG2-CH2 4.03Å |
| 8 | C | 94.1 | Very high | 93 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.3 | -69.8 | 0 | 0 | 0 | 0 | 111.2 | G4 L5 L10 I11 V12 V96 | G4-C8 WeakPolarHBondContact O-CB 3.43Å; G4-C8 PolarHBondContact O-N 3.37Å; G4-C8 PolarHBondContact O-SG 3.09Å; L5-C8 PolarHBondContact O-N 2.89Å; C8-L10 VanDerWaalsContact C-N 3.3Å; C8-L10 PolarHBondContact O-N 3.05Å; C8-I11 PolarHBondContact O-N 3.06Å; C8-V12 WeakPolarHBondContact O-CG2 3.46Å; C8-V12 PolarHBondContact O-N 3.45Å; C8-V96 HydrophobicContact CB-CG1 4.25Å; C8-V96 HydrophobicContact CB-CG2 3.99Å |
| 9 | A | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L5 A6 G13 L99 S100 L160 | L5-A9 WeakPolarHBondContact O-CB 3.44Å; L5-A9 PolarHBondContact O-N 3.49Å; A6-A9 PolarHBondContact O-N 3.49Å; A9-G13 VanDerWaalsContact O-CA 3.27Å; A9-G13 WeakPolarHBondContact O-CA 3.2Å; A9-G13 PolarHBondContact O-N 3.43Å; A9-L99 HydrophobicContact CB-CB 3.8Å; A9-S100 WeakPolarHBondContact O-CB 3.49Å; A9-L160 HydrophobicContact CB-CD1 4.2Å; A9-L160 HydrophobicContact CB-CD2 4.31Å |
| 10 | L | 95.1 | Very high | 93.2 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 174.9 | 177 | 80.1 | 0 | 0 | 0 | 111.3 | A6 V7 C8 G13 L14 Y103 W157 L160 | A6-L10 VanDerWaalsContact O-CB 3.26Å; A6-L10 WeakPolarHBondContact O-CB 3.37Å; A6-L10 PolarHBondContact O-N 3.21Å; V7-L10 WeakPolarHBondContact O-CB 3.36Å; V7-L10 PolarHBondContact O-N 3.18Å; C8-L10 VanDerWaalsContact C-N 3.3Å; C8-L10 PolarHBondContact O-N 3.05Å; L10-G13 PolarHBondContact O-N 3.29Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 PolarHBondContact O-N 2.96Å; L10-Y103 HydrophobicContact CD1-CE1 4.03Å; L10-Y103 HydrophobicContact CD1-CE2 3.9Å; L10-Y103 WeakPolarHBondContact CD1-OH 3.5Å; L10-W157 HydrophobicContact CB-CE3 4.06Å; L10-W157 HydrophobicContact CB-CZ3 3.82Å; L10-W157 HydrophobicContact CD1-CE3 3.75Å; L10-W157 HydrophobicContact CD1-CZ3 4.36Å; L10-W157 HydrophobicContact CD2-CE3 3.94Å; L10-W157 HydrophobicContact CD2-CZ3 3.94Å; L10-W157 HydrophobicContact CG-CE3 4.12Å; L10-W157 HydrophobicContact CG-CZ3 4.25Å; L10-L160 HydrophobicContact CB-CD2 3.99Å; L10-L160 HydrophobicContact CD1-CD2 4.49Å |
| 11 | I | 96.7 | Very high | 93.2 | Very high | 113 Ų | 113 | 46.4 Ų | 46.4 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.1 | -51.2 | -177 | -67.4 | 166.4 | 0 | 0 | 0 | 110.2 | V7 C8 G13 L14 A15 | V7-I11 HydrophobicContact CG1-CD1 3.94Å; V7-I11 WeakPolarHBondContact O-CG1 3.42Å; V7-I11 PolarHBondContact O-N 3.34Å; C8-I11 PolarHBondContact O-N 3.06Å; I11-G13 VanDerWaalsContact C-N 3.33Å; I11-G13 PolarHBondContact O-N 2.92Å; I11-L14 PolarHBondContact O-N 3.33Å; I11-A15 PolarHBondContact O-N 3.49Å; I11-A15 VanDerWaalsContact O-N 3.14Å |
| 12 | V | 97.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 178.1 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | C8 L14 A15 L16 V96 | C8-V12 WeakPolarHBondContact O-CG2 3.46Å; C8-V12 PolarHBondContact O-N 3.45Å; V12-L14 PolarHBondContact O-N 3.12Å; V12-A15 WeakPolarHBondContact O-CB 3.43Å; V12-A15 PolarHBondContact O-N 3.27Å; V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CB 3.37Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 2.93Å; V12-V96 HydrophobicContact CG2-CG1 4.38Å |
| 13 | G | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -36 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A9 L10 I11 L16 A17 S100 A104 | A9-G13 VanDerWaalsContact O-CA 3.27Å; A9-G13 WeakPolarHBondContact O-CA 3.2Å; A9-G13 PolarHBondContact O-N 3.43Å; L10-G13 PolarHBondContact O-N 3.29Å; I11-G13 VanDerWaalsContact C-N 3.33Å; I11-G13 PolarHBondContact O-N 2.92Å; G13-L16 PolarHBondContact O-N 2.84Å; G13-A17 VanDerWaalsContact O-CB 3.23Å; G13-A17 WeakPolarHBondContact O-CB 3.36Å; G13-A17 PolarHBondContact O-N 2.82Å; G13-S100 VanDerWaalsContact CA-O 3.29Å; G13-S100 WeakPolarHBondContact CA-O 3.42Å; G13-A104 WeakPolarHBondContact O-CA 3.44Å; G13-A104 WeakPolarHBondContact O-CB 3.22Å |
| 14 | L | 96.1 | Very high | 94.3 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.3 | -37.8 | 175.8 | -168.7 | 146.2 | 0 | 0 | 0 | 111.4 | L10 I11 V12 A17 M18 Y103 W146 | L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 PolarHBondContact O-N 2.96Å; I11-L14 PolarHBondContact O-N 3.33Å; V12-L14 PolarHBondContact O-N 3.12Å; L14-A17 WeakPolarHBondContact O-CB 3.23Å; L14-A17 PolarHBondContact O-N 3.22Å; L14-M18 HydrophobicContact CD2-CE 3.93Å; L14-M18 HydrophobicContact CD2-SD 4.31Å; L14-M18 WeakPolarHBondContact O-CG 3.5Å; L14-M18 PolarHBondContact O-N 3.41Å; L14-M18 VanDerWaalsContact O-N 3.1Å; L14-Y103 HydrophobicContact CB-CE1 4.31Å; L14-W146 HydrophobicContact CD2-CH2 4.37Å |
| 15 | A | 97 | Very high | 94.1 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 44% | 0.438 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I11 V12 A17 M18 F19 | I11-A15 PolarHBondContact O-N 3.49Å; I11-A15 VanDerWaalsContact O-N 3.14Å; V12-A15 WeakPolarHBondContact O-CB 3.43Å; V12-A15 PolarHBondContact O-N 3.27Å; A15-A17 VanDerWaalsContact C-N 3.31Å; A15-A17 PolarHBondContact O-N 2.85Å; A15-M18 PolarHBondContact O-N 3.25Å; A15-F19 PolarHBondContact O-N 3.32Å; A15-F19 VanDerWaalsContact O-N 3.1Å |
| 16 | L | 97.1 | Very high | 94.1 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 174.8 | -71.6 | 176.7 | 0 | 0 | 0 | 112.3 | V12 G13 M18 F19 F20 A104 | V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CB 3.37Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 2.93Å; G13-L16 PolarHBondContact O-N 2.84Å; L16-M18 PolarHBondContact O-N 2.87Å; L16-F19 WeakPolarHBondContact O-CB 3.33Å; L16-F19 PolarHBondContact O-N 3.14Å; L16-F20 PolarHBondContact O-N 3.38Å; L16-A104 HydrophobicContact CB-CB 3.44Å; L16-A104 VanDerWaalsContact CB-CB 3.44Å |
| 17 | A | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G13 L14 A15 F19 F20 A21 A104 A107 S108 L111 | G13-A17 VanDerWaalsContact O-CB 3.23Å; G13-A17 WeakPolarHBondContact O-CB 3.36Å; G13-A17 PolarHBondContact O-N 2.82Å; L14-A17 WeakPolarHBondContact O-CB 3.23Å; L14-A17 PolarHBondContact O-N 3.22Å; A15-A17 VanDerWaalsContact C-N 3.31Å; A15-A17 PolarHBondContact O-N 2.85Å; A17-F19 VanDerWaalsContact C-N 3.33Å; A17-F20 PolarHBondContact O-N 2.97Å; A17-A21 VanDerWaalsContact O-CB 3.26Å; A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 3.24Å; A17-A104 HydrophobicContact CB-CB 4.4Å; A17-A107 HydrophobicContact CB-CB 3.55Å; A17-S108 WeakPolarHBondContact O-CB 3.45Å; A17-L111 HydrophobicContact CB-CD1 4.02Å |
| 18 | M | 94.7 | Very high | 93.7 | Very high | 83 Ų | 83 | 64 Ų | 64 | 41% | 0.409 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174.9 | -68.7 | -174.2 | -64.4 | 0 | 0 | 110.7 | L14 A15 L16 A21 V22 L111 | L14-M18 HydrophobicContact CD2-CE 3.93Å; L14-M18 HydrophobicContact CD2-SD 4.31Å; L14-M18 WeakPolarHBondContact O-CG 3.5Å; L14-M18 PolarHBondContact O-N 3.41Å; L14-M18 VanDerWaalsContact O-N 3.1Å; A15-M18 PolarHBondContact O-N 3.25Å; L16-M18 PolarHBondContact O-N 2.87Å; M18-A21 PolarHBondContact O-N 3.46Å; M18-V22 WeakPolarHBondContact O-CG2 3.46Å; M18-V22 PolarHBondContact O-N 3.32Å; M18-L111 HydrophobicContact CG-CD1 4.17Å |
| 19 | F | 95.9 | Very high | 93.6 | Very high | 118 Ų | 118 | 71.9 Ų | 71.9 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 175 | 175.6 | -102 | 0 | 0 | 0 | 112 | A15 L16 A17 A21 V22 W23 | A15-F19 PolarHBondContact O-N 3.32Å; A15-F19 VanDerWaalsContact O-N 3.1Å; L16-F19 WeakPolarHBondContact O-CB 3.33Å; L16-F19 PolarHBondContact O-N 3.14Å; A17-F19 VanDerWaalsContact C-N 3.33Å; F19-A21 PolarHBondContact O-N 3.08Å; F19-V22 PolarHBondContact O-N 2.87Å; F19-W23 HydrophobicContact CD1-CE3 4.33Å; F19-W23 HydrophobicContact CE1-CD2 4.42Å; F19-W23 AromaticContact CE1-CE3 3.52Å; F19-W23 HydrophobicContact CE1-CE3 3.52Å; F19-W23 HydrophobicContact CE1-CZ3 4.03Å; F19-W23 HydrophobicContact CZ-CE3 4.07Å; F19-W23 WeakPolarHBondContact O-CB 3.17Å; F19-W23 PolarHBondContact O-N 3.09Å |
| 20 | F | 94.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 76.3 Ų | 76.3 | 4% | 0.044 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.7 | -72.6 | -27.3 | 0 | 0 | 0 | 112.6 | L16 A17 V22 W23 E24 L38 V39 L42 L101 A104 | L16-F20 PolarHBondContact O-N 3.38Å; A17-F20 PolarHBondContact O-N 2.97Å; F20-V22 VanDerWaalsContact C-N 3.3Å; F20-V22 PolarHBondContact O-N 2.9Å; F20-W23 AromaticContact CD1-CE3 3.84Å; F20-W23 HydrophobicContact CD1-CE3 3.84Å; F20-W23 HydrophobicContact CD1-CZ3 4.29Å; F20-W23 HydrophobicContact CE1-CE3 4.02Å; F20-W23 AromaticContact CE1-CZ3 3.99Å; F20-W23 HydrophobicContact CE1-CZ3 3.99Å; F20-W23 PolarHBondContact O-N 3.22Å; F20-E24 WeakPolarHBondContact O-CB 3.38Å; F20-E24 WeakPolarHBondContact O-CG 3.32Å; F20-E24 PolarHBondContact O-N 3.04Å; F20-L38 HydrophobicContact CE1-CD2 4.23Å; F20-L38 HydrophobicContact CZ-CD2 3.91Å; F20-V39 HydrophobicContact CB-CG2 4Å; F20-V39 HydrophobicContact CD1-CG2 4.37Å; F20-V39 HydrophobicContact CD2-CG2 3.99Å; F20-V39 HydrophobicContact CG-CG2 3.89Å; F20-L42 HydrophobicContact CE2-CD1 4.24Å; F20-L42 HydrophobicContact CZ-CD1 4.43Å; F20-L101 HydrophobicContact CE2-CD1 3.92Å; F20-L101 HydrophobicContact CZ-CD1 3.74Å; F20-A104 HydrophobicContact CD2-CB 3.84Å; F20-A104 HydrophobicContact CE2-CB 3.87Å |
| 21 | A | 93.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 77.3 Ų | 77.3 | 11% | 0.107 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A17 M18 F19 S25 L111 R112 | A17-A21 VanDerWaalsContact O-CB 3.26Å; A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 3.24Å; M18-A21 PolarHBondContact O-N 3.46Å; F19-A21 PolarHBondContact O-N 3.08Å; A21-S25 VanDerWaalsContact O-CB 3.32Å; A21-S25 WeakPolarHBondContact O-CB 3.45Å; A21-S25 PolarHBondContact O-N 3.48Å; A21-S25 PolarHBondContact O-OG 3.36Å; A21-L111 HydrophobicContact CB-CB 4.41Å; A21-R112 HydrophobicContact CB-CG 4.1Å |
| 22 | V | 92.3 | Very high | 93 | Very high | 107 Ų | 107 | 72.7 Ų | 72.7 | 65% | 0.648 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.9 | -44 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | M18 F19 F20 S25 A26 | M18-V22 WeakPolarHBondContact O-CG2 3.46Å; M18-V22 PolarHBondContact O-N 3.32Å; F19-V22 PolarHBondContact O-N 2.87Å; F20-V22 VanDerWaalsContact C-N 3.3Å; F20-V22 PolarHBondContact O-N 2.9Å; V22-S25 CarbonylContact O-C 3.58Å; V22-S25 WeakPolarHBondContact O-CA 3.49Å; V22-S25 PolarHBondContact O-N 2.98Å; V22-A26 PolarHBondContact O-N 3.05Å; V22-A26 VanDerWaalsContact O-N 3.16Å |
| 23 | W | 92.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 78.8 Ų | 78.8 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 179.2 | -175.1 | 2.5 | 0 | 0 | 0 | 111.4 | F19 F20 S25 A26 V31 A34 L38 | F19-W23 HydrophobicContact CD1-CE3 4.33Å; F19-W23 HydrophobicContact CE1-CD2 4.42Å; F19-W23 AromaticContact CE1-CE3 3.52Å; F19-W23 HydrophobicContact CE1-CE3 3.52Å; F19-W23 HydrophobicContact CE1-CZ3 4.03Å; F19-W23 HydrophobicContact CZ-CE3 4.07Å; F19-W23 WeakPolarHBondContact O-CB 3.17Å; F19-W23 PolarHBondContact O-N 3.09Å; F20-W23 AromaticContact CD1-CE3 3.84Å; F20-W23 HydrophobicContact CD1-CE3 3.84Å; F20-W23 HydrophobicContact CD1-CZ3 4.29Å; F20-W23 HydrophobicContact CE1-CE3 4.02Å; F20-W23 AromaticContact CE1-CZ3 3.99Å; F20-W23 HydrophobicContact CE1-CZ3 3.99Å; F20-W23 PolarHBondContact O-N 3.22Å; W23-S25 PolarHBondContact O-N 3.22Å; W23-A26 WeakPolarHBondContact O-CB 3.39Å; W23-A26 PolarHBondContact O-N 2.98Å; W23-A26 VanDerWaalsContact O-N 3.08Å; W23-V31 PolarHBondContact NE1-O 3.15Å; W23-A34 HydrophobicContact CZ2-CB 4.31Å; W23-L38 HydrophobicContact CH2-CD1 3.86Å; W23-L38 HydrophobicContact CZ3-CD1 3.93Å |
| 24 | E | 90.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 80.9 Ų | 80.9 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.6 | 175.6 | -69.5 | -171.2 | 90.7 | 0 | 0 | 113.6 | F20 S36 Q109 R112 | F20-E24 WeakPolarHBondContact O-CB 3.38Å; F20-E24 WeakPolarHBondContact O-CG 3.32Å; F20-E24 PolarHBondContact O-N 3.04Å; E24-S36 WeakPolarHBondContact OE1-CA 3.4Å; E24-S36 PolarHBondContact OE1-OG 3.38Å; E24-Q109 VanDerWaalsContact CD-NE2 3.31Å; E24-Q109 PolarHBondContact OE1-NE2 3.36Å; E24-Q109 PolarHBondContact OE2-NE2 2.9Å; E24-R112 IonicContact OE1-CZ 3.79Å; E24-R112 IonicContact OE1-NH1 2.82Å; E24-R112 PolarHBondContact OE1-NH1 3.1Å; E24-R112 WeakPolarHBondContact OE2-CD 3.4Å; E24-R112 IonicContact OE2-NH1 3.39Å; E24-R112 PolarHBondContact OE2-NH1 3.5Å |
| 25 | S | 86.5 | Confident | 92.5 | Very high | 70 Ų | 70 | 78.6 Ų | 78.6 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 6.8 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | A21 V22 W23 | A21-S25 VanDerWaalsContact O-CB 3.32Å; A21-S25 WeakPolarHBondContact O-CB 3.45Å; A21-S25 PolarHBondContact O-N 3.48Å; A21-S25 PolarHBondContact O-OG 3.36Å; V22-S25 CarbonylContact O-C 3.58Å; V22-S25 WeakPolarHBondContact O-CA 3.49Å; V22-S25 PolarHBondContact O-N 2.98Å; W23-S25 PolarHBondContact O-N 3.22Å |
| 26 | A | 88.5 | Confident | 92.3 | Very high | 35 Ų | 35 | 77.9 Ų | 77.9 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | trans | -60.6 | 141.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V22 W23 W28 V31 A32 | V22-A26 PolarHBondContact O-N 3.05Å; V22-A26 VanDerWaalsContact O-N 3.16Å; W23-A26 WeakPolarHBondContact O-CB 3.39Å; W23-A26 PolarHBondContact O-N 2.98Å; W23-A26 VanDerWaalsContact O-N 3.08Å; A26-W28 VanDerWaalsContact C-N 3.25Å; A26-W28 PolarHBondContact O-N 3.25Å; A26-V31 HydrophobicContact CB-CB 4.46Å; A26-V31 HydrophobicContact CB-CG1 4.07Å; A26-A32 HydrophobicContact CB-CB 4.46Å | ||
| 27 | K | 85.8 | Confident | 92.2 | Very high | 200 Ų | 200 | 76.8 Ų | 76.8 | 87% | 0.87 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -64.9 | -30.9 | 179.4 | -66.9 | 178.1 | 177 | 176.1 | 0 | 112.8 | R29 | K27-R29 PolarHBondContact O-N 3.47Š|
| 28 | W | 91.3 | Very high | 92.1 | Very high | 200 Ų | 200 | 79.7 Ų | 79.7 | 76% | 0.758 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -76.6 | 110.5 | -179.1 | -77.5 | 51.4 | 0 | 0 | 0 | 109.5 | A26 V31 A32 | A26-W28 VanDerWaalsContact C-N 3.25Å; A26-W28 PolarHBondContact O-N 3.25Å; W28-V31 HydrophobicContact CB-CB 4.08Å; W28-V31 HydrophobicContact CB-CG2 3.9Å; W28-V31 PolarHBondContact O-N 3.38Å; W28-V31 VanDerWaalsContact O-N 3.08Å; W28-A32 PolarHBondContact O-N 3.17Å |
| 29 | R | 90.9 | Very high | 92.2 | Very high | 218 Ų | 218 | 75.7 Ų | 75.7 | 82% | 0.823 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54.3 | -43.4 | -174.4 | -69.2 | -173.6 | 170.6 | -170 | -2.4 | 114.1 | K27 V31 A32 W33 | K27-R29 PolarHBondContact O-N 3.47Å; R29-V31 VanDerWaalsContact C-N 3.35Å; R29-V31 PolarHBondContact O-N 2.96Å; R29-A32 PolarHBondContact O-N 3.39Å; R29-W33 VanDerWaalsContact O-CB 3.27Å; R29-W33 WeakPolarHBondContact O-CB 3.28Å; R29-W33 PolarHBondContact O-N 3.47Å |
| 30 | P | 92 | Very high | 92.1 | Very high | 94 Ų | 94 | 73.9 Ų | 73.9 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 177.4 | -22.8 | 34.5 | 0 | 0 | 0 | 112.9 | W33 A34 | P30-W33 PolarHBondContact O-N 2.99Å; P30-A34 WeakPolarHBondContact O-CB 3.44Å; P30-A34 PolarHBondContact O-N 3.31Å |
| 31 | V | 91.8 | Very high | 92.2 | Very high | 63 Ų | 63 | 78.3 Ų | 78.3 | 38% | 0.382 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 179.2 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | W23 A26 W28 R29 W33 A34 G35 | W23-V31 PolarHBondContact NE1-O 3.15Å; A26-V31 HydrophobicContact CB-CB 4.46Å; A26-V31 HydrophobicContact CB-CG1 4.07Å; W28-V31 HydrophobicContact CB-CB 4.08Å; W28-V31 HydrophobicContact CB-CG2 3.9Å; W28-V31 PolarHBondContact O-N 3.38Å; W28-V31 VanDerWaalsContact O-N 3.08Å; R29-V31 VanDerWaalsContact C-N 3.35Å; R29-V31 PolarHBondContact O-N 2.96Å; V31-W33 VanDerWaalsContact C-N 3.31Å; V31-W33 PolarHBondContact O-N 2.94Å; V31-A34 PolarHBondContact O-N 3.48Å; V31-G35 PolarHBondContact O-N 2.93Å; V31-G35 VanDerWaalsContact O-N 3.13Å |
| 32 | A | 91.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 78.4 Ų | 78.4 | 13% | 0.132 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A26 W28 R29 G35 S36 | A26-A32 HydrophobicContact CB-CB 4.46Å; W28-A32 PolarHBondContact O-N 3.17Å; R29-A32 PolarHBondContact O-N 3.39Å; A32-G35 PolarHBondContact O-N 2.77Å; A32-S36 VanDerWaalsContact O-CB 3.29Å; A32-S36 WeakPolarHBondContact O-CB 3.28Å; A32-S36 PolarHBondContact O-N 2.83Å |
| 33 | W | 94 | Very high | 92.3 | Very high | 193 Ų | 193 | 77.7 Ų | 77.7 | 73% | 0.731 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.4 | -42.4 | 177.2 | -171.8 | 79.4 | 0 | 0 | 0 | 112 | R29 P30 V31 G35 S36 A37 | R29-W33 VanDerWaalsContact O-CB 3.27Å; R29-W33 WeakPolarHBondContact O-CB 3.28Å; R29-W33 PolarHBondContact O-N 3.47Å; P30-W33 PolarHBondContact O-N 2.99Å; V31-W33 VanDerWaalsContact C-N 3.31Å; V31-W33 PolarHBondContact O-N 2.94Å; W33-G35 PolarHBondContact O-N 3.34Å; W33-S36 PolarHBondContact O-N 2.98Å; W33-A37 VanDerWaalsContact O-CB 3.29Å; W33-A37 WeakPolarHBondContact O-CB 3.42Å; W33-A37 PolarHBondContact O-N 3.15Å |
| 34 | A | 93.7 | Very high | 92.4 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | W23 P30 V31 S36 A37 L38 | W23-A34 HydrophobicContact CZ2-CB 4.31Å; P30-A34 WeakPolarHBondContact O-CB 3.44Å; P30-A34 PolarHBondContact O-N 3.31Å; V31-A34 PolarHBondContact O-N 3.48Å; A34-S36 PolarHBondContact O-N 3.25Å; A34-A37 PolarHBondContact O-N 3.42Å; A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 3.08Å |
| 35 | G | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V31 A32 W33 L38 V39 | V31-G35 PolarHBondContact O-N 2.93Å; V31-G35 VanDerWaalsContact O-N 3.13Å; A32-G35 PolarHBondContact O-N 2.77Å; W33-G35 PolarHBondContact O-N 3.34Å; G35-L38 PolarHBondContact O-N 3.46Å; G35-V39 WeakPolarHBondContact O-CG2 3.32Å; G35-V39 PolarHBondContact O-N 3.03Å |
| 36 | S | 93.3 | Very high | 93 | Very high | 39 Ų | 39 | 79.2 Ų | 79.2 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | E24 A32 W33 A34 T40 | E24-S36 WeakPolarHBondContact OE1-CA 3.4Å; E24-S36 PolarHBondContact OE1-OG 3.38Å; A32-S36 VanDerWaalsContact O-CB 3.29Å; A32-S36 WeakPolarHBondContact O-CB 3.28Å; A32-S36 PolarHBondContact O-N 2.83Å; W33-S36 PolarHBondContact O-N 2.98Å; A34-S36 PolarHBondContact O-N 3.25Å; S36-T40 VanDerWaalsContact O-CB 3.27Å; S36-T40 WeakPolarHBondContact O-CB 3.46Å; S36-T40 PolarHBondContact O-N 3.03Å; S36-T40 PolarHBondContact O-OG1 3.37Å |
| 37 | A | 95 | Very high | 93.3 | Very high | 30 Ų | 30 | 80.2 Ų | 80.2 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W33 A34 V39 T40 I41 | W33-A37 VanDerWaalsContact O-CB 3.29Å; W33-A37 WeakPolarHBondContact O-CB 3.42Å; W33-A37 PolarHBondContact O-N 3.15Å; A34-A37 PolarHBondContact O-N 3.42Å; A37-V39 PolarHBondContact O-N 2.87Å; A37-T40 PolarHBondContact O-N 3Å; A37-I41 VanDerWaalsContact O-CG1 3.27Å; A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 3.38Å |
| 38 | L | 94.7 | Very high | 93.7 | Very high | 61 Ų | 61 | 73.9 Ų | 73.9 | 32% | 0.319 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.9 | -50.7 | 176.7 | -169 | 168.3 | 0 | 0 | 0 | 111 | F20 W23 A34 G35 T40 I41 L42 | F20-L38 HydrophobicContact CE1-CD2 4.23Å; F20-L38 HydrophobicContact CZ-CD2 3.91Å; W23-L38 HydrophobicContact CH2-CD1 3.86Å; W23-L38 HydrophobicContact CZ3-CD1 3.93Å; A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 3.08Å; G35-L38 PolarHBondContact O-N 3.46Å; L38-T40 VanDerWaalsContact C-N 3.29Å; L38-T40 PolarHBondContact O-N 2.86Å; L38-I41 PolarHBondContact O-N 2.83Å; L38-L42 HydrophobicContact CD2-CD1 3.32Å; L38-L42 HydrophobicContact CD2-CG 3.89Å; L38-L42 WeakPolarHBondContact O-CG 3.29Å; L38-L42 PolarHBondContact O-N 2.89Å |
| 39 | V | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | F20 G35 A37 L42 R43 A105 Q109 | F20-V39 HydrophobicContact CB-CG2 4Å; F20-V39 HydrophobicContact CD1-CG2 4.37Å; F20-V39 HydrophobicContact CD2-CG2 3.99Å; F20-V39 HydrophobicContact CG-CG2 3.89Å; G35-V39 WeakPolarHBondContact O-CG2 3.32Å; G35-V39 PolarHBondContact O-N 3.03Å; A37-V39 PolarHBondContact O-N 2.87Å; V39-L42 PolarHBondContact O-N 2.86Å; V39-R43 WeakPolarHBondContact O-CB 3.27Å; V39-R43 VanDerWaalsContact O-CG 3.26Å; V39-R43 WeakPolarHBondContact O-CG 3.45Å; V39-R43 PolarHBondContact O-N 3.17Å; V39-A105 HydrophobicContact CG1-CB 4.13Å; V39-A105 WeakPolarHBondContact CG1-O 3.32Å; V39-Q109 HydrophobicContact CG1-CG 4.02Å |
| 40 | T | 95.5 | Very high | 94.2 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | S36 A37 L38 R43 G44 | S36-T40 VanDerWaalsContact O-CB 3.27Å; S36-T40 WeakPolarHBondContact O-CB 3.46Å; S36-T40 PolarHBondContact O-N 3.03Å; S36-T40 PolarHBondContact O-OG1 3.37Å; A37-T40 PolarHBondContact O-N 3Å; L38-T40 VanDerWaalsContact C-N 3.29Å; L38-T40 PolarHBondContact O-N 2.86Å; T40-R43 PolarHBondContact O-N 3.4Å; T40-G44 PolarHBondContact O-N 2.69Å |
| 41 | I | 95.8 | Very high | 94.3 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -50.2 | 175.7 | -70 | 164.4 | 0 | 0 | 0 | 109.9 | A37 L38 R43 G44 L45 | A37-I41 VanDerWaalsContact O-CG1 3.27Å; A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 3.38Å; L38-I41 PolarHBondContact O-N 2.83Å; I41-R43 VanDerWaalsContact C-N 3.26Å; I41-R43 PolarHBondContact O-N 3.08Å; I41-G44 CarbonylContact O-C 3.57Å; I41-G44 WeakPolarHBondContact O-CA 3.35Å; I41-G44 PolarHBondContact O-N 3.04Å; I41-L45 HydrophobicContact CG2-CD1 3.83Å; I41-L45 HydrophobicContact CG2-CG 4.18Å; I41-L45 WeakPolarHBondContact O-CG 3.39Å; I41-L45 PolarHBondContact O-N 3.32Å |
| 42 | L | 94.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 180 | -71.8 | 174.9 | 0 | 0 | 0 | 112.9 | F20 L38 V39 G44 L101 A105 | F20-L42 HydrophobicContact CE2-CD1 4.24Å; F20-L42 HydrophobicContact CZ-CD1 4.43Å; L38-L42 HydrophobicContact CD2-CD1 3.32Å; L38-L42 HydrophobicContact CD2-CG 3.89Å; L38-L42 WeakPolarHBondContact O-CG 3.29Å; L38-L42 PolarHBondContact O-N 2.89Å; V39-L42 PolarHBondContact O-N 2.86Å; L42-G44 VanDerWaalsContact C-N 3.33Å; L42-L101 HydrophobicContact CD1-CD1 3.69Å; L42-L101 HydrophobicContact CD1-CD2 4.11Å; L42-L101 HydrophobicContact CD1-CG 3.55Å; L42-L101 HydrophobicContact CD2-CD2 3.63Å; L42-L101 HydrophobicContact CD2-CG 3.89Å; L42-L101 HydrophobicContact CG-CG 4.37Å; L42-A105 HydrophobicContact CB-CB 3.79Å; L42-A105 HydrophobicContact CD1-CB 4.06Å |
| 43 | R | 93.5 | Very high | 94.6 | Very high | 92 Ų | 92 | 58 Ų | 58 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -77.8 | -18.4 | 175.8 | -67.9 | 171.9 | 58.3 | -153.5 | -4.1 | 113.7 | V39 T40 I41 A105 Y106 Q109 | V39-R43 WeakPolarHBondContact O-CB 3.27Å; V39-R43 VanDerWaalsContact O-CG 3.26Å; V39-R43 WeakPolarHBondContact O-CG 3.45Å; V39-R43 PolarHBondContact O-N 3.17Å; T40-R43 PolarHBondContact O-N 3.4Å; I41-R43 VanDerWaalsContact C-N 3.26Å; I41-R43 PolarHBondContact O-N 3.08Å; R43-A105 WeakPolarHBondContact CD-O 3.46Å; R43-A105 HydrophobicContact CG-CB 3.78Å; R43-Y106 HydrophobicContact CB-CE1 4.05Å; R43-Y106 HydrophobicContact CG-CD1 3.93Å; R43-Y106 HydrophobicContact CG-CD2 4.24Å; R43-Y106 HydrophobicContact CG-CE1 3.83Å; R43-Y106 HydrophobicContact CG-CE2 4.15Å; R43-Y106 HydrophobicContact CG-CG 4.14Å; R43-Y106 PolarHBondContact O-OH 3.29Å; R43-Y106 VanDerWaalsContact O-OH 3.13Å; R43-Q109 VanDerWaalsContact NH1-CG 3.31Å |
| 44 | G | 94.7 | Very high | 94.6 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -90.6 | -19.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T40 I41 L42 | T40-G44 PolarHBondContact O-N 2.69Å; I41-G44 CarbonylContact O-C 3.57Å; I41-G44 WeakPolarHBondContact O-CA 3.35Å; I41-G44 PolarHBondContact O-N 3.04Å; L42-G44 VanDerWaalsContact C-N 3.33Å |
| 45 | L | 94.2 | Very high | 94.6 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -85 | 137.8 | 178.2 | -70.5 | 175.4 | 0 | 0 | 0 | 111.2 | I41 E47 V50 | I41-L45 HydrophobicContact CG2-CD1 3.83Å; I41-L45 HydrophobicContact CG2-CG 4.18Å; I41-L45 WeakPolarHBondContact O-CG 3.39Å; I41-L45 PolarHBondContact O-N 3.32Å; L45-E47 PolarHBondContact O-N 2.93Å; L45-V50 HydrophobicContact CB-CG2 3.72Å; L45-V50 HydrophobicContact CD1-CG2 4.06Å |
| 46 | P | 95.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 57 Ų | 57 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | trans | -52.9 | 134.4 | 166 | -25.4 | 31.9 | 0 | 0 | 0 | 111.8 | I48 L49 V50 | P46-I48 VanDerWaalsContact C-N 3.27Å; P46-I48 HydrophobicContact CB-CG2 4.06Å; P46-I48 PolarHBondContact O-N 3.17Å; P46-L49 HydrophobicContact CB-CB 4.42Å; P46-L49 HydrophobicContact CB-CD1 4.23Å; P46-L49 HydrophobicContact CB-CG 4.14Å; P46-L49 HydrophobicContact CG-CD1 3.9Å; P46-L49 HydrophobicContact CG-CG 4.36Å; P46-L49 WeakPolarHBondContact O-CB 3.45Å; P46-L49 PolarHBondContact O-N 2.82Å; P46-V50 PolarHBondContact O-N 3.39Å | ||
| 47 | E | 94.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | -174.5 | -63.8 | 76.6 | -168 | 0 | 0 | 111.2 | L45 L49 V50 V51 L102 L166 | L45-E47 PolarHBondContact O-N 2.93Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.66Å; E47-V50 PolarHBondContact O-N 2.88Å; E47-V51 WeakPolarHBondContact O-CG2 3.48Å; E47-V51 PolarHBondContact O-N 3.47Å; E47-L102 HydrophobicContact CB-CD1 3.77Å; E47-L102 HydrophobicContact CG-CD1 3.96Å; E47-L102 HydrophobicContact CG-CD2 4.3Å; E47-L166 HydrophobicContact CB-CD1 3.68Å |
| 48 | I | 94.8 | Very high | 94.3 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 34% | 0.344 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.3 | -42.3 | 174.2 | -173.8 | 172.2 | 0 | 0 | 0 | 112.1 | P46 V50 V51 L52 L169 | P46-I48 VanDerWaalsContact C-N 3.27Å; P46-I48 HydrophobicContact CB-CG2 4.06Å; P46-I48 PolarHBondContact O-N 3.17Å; I48-V50 VanDerWaalsContact C-N 3.34Å; I48-V50 PolarHBondContact O-N 3.34Å; I48-V51 PolarHBondContact O-N 3.08Å; I48-L52 HydrophobicContact CG1-CD1 4.21Å; I48-L52 HydrophobicContact CG1-CG 4.4Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.3Å; I48-L52 PolarHBondContact O-N 3.3Å; I48-L169 HydrophobicContact CD1-CD1 3.22Å; I48-L169 HydrophobicContact CG1-CD1 3.56Å |
| 49 | L | 95.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 179.3 | -71.1 | -178.2 | 0 | 0 | 0 | 110.9 | P46 E47 L52 F53 | P46-L49 HydrophobicContact CB-CB 4.42Å; P46-L49 HydrophobicContact CB-CD1 4.23Å; P46-L49 HydrophobicContact CB-CG 4.14Å; P46-L49 HydrophobicContact CG-CD1 3.9Å; P46-L49 HydrophobicContact CG-CG 4.36Å; P46-L49 WeakPolarHBondContact O-CB 3.45Å; P46-L49 PolarHBondContact O-N 2.82Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.66Å; L49-L52 PolarHBondContact O-N 3.45Å; L49-F53 HydrophobicContact CB-CE2 4.36Å; L49-F53 VanDerWaalsContact O-CB 3.3Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 WeakPolarHBondContact O-CD2 3.48Å; L49-F53 VanDerWaalsContact O-CG 3.27Å; L49-F53 WeakPolarHBondContact O-CG 3.41Å; L49-F53 PolarHBondContact O-N 3.36Å |
| 50 | V | 95.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 111 | L45 P46 E47 I48 F53 I54 L102 | L45-V50 HydrophobicContact CB-CG2 3.72Å; L45-V50 HydrophobicContact CD1-CG2 4.06Å; P46-V50 PolarHBondContact O-N 3.39Å; E47-V50 PolarHBondContact O-N 2.88Å; I48-V50 VanDerWaalsContact C-N 3.34Å; I48-V50 PolarHBondContact O-N 3.34Å; V50-F53 PolarHBondContact O-N 3.46Å; V50-I54 HydrophobicContact CG1-CD1 3.81Å; V50-I54 WeakPolarHBondContact O-CB 3.49Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.98Å; V50-L102 HydrophobicContact CB-CD1 4.16Å; V50-L102 HydrophobicContact CB-CD2 4.06Å; V50-L102 HydrophobicContact CB-CG 4.25Å; V50-L102 HydrophobicContact CG1-CD1 4.21Å; V50-L102 HydrophobicContact CG1-CD2 4.13Å; V50-L102 HydrophobicContact CG1-CG 3.98Å; V50-L102 HydrophobicContact CG2-CD2 3.9Å |
| 51 | V | 95.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | E47 I48 I54 Y55 A98 L99 V167 I170 | E47-V51 WeakPolarHBondContact O-CG2 3.48Å; E47-V51 PolarHBondContact O-N 3.47Å; I48-V51 PolarHBondContact O-N 3.08Å; V51-I54 PolarHBondContact O-N 3.08Å; V51-Y55 WeakPolarHBondContact O-CB 3.29Å; V51-Y55 PolarHBondContact O-N 2.9Å; V51-A98 HydrophobicContact CB-CB 4.25Å; V51-A98 HydrophobicContact CG2-CB 3.77Å; V51-L99 HydrophobicContact CG2-CD2 4.47Å; V51-V167 HydrophobicContact CG1-CG2 4.48Å; V51-V167 HydrophobicContact CG2-CG2 4.49Å; V51-I170 HydrophobicContact CG1-CD1 3.94Å; V51-I170 HydrophobicContact CG1-CG1 4.15Å; V51-I170 HydrophobicContact CG1-CG2 4.03Å |
| 52 | L | 94.7 | Very high | 92.5 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 179.5 | -66.5 | -178.6 | 0 | 0 | 0 | 112.1 | I48 L49 I54 Y55 F56 I170 | I48-L52 HydrophobicContact CG1-CD1 4.21Å; I48-L52 HydrophobicContact CG1-CG 4.4Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.3Å; I48-L52 PolarHBondContact O-N 3.3Å; L49-L52 PolarHBondContact O-N 3.45Å; L52-I54 VanDerWaalsContact C-N 3.33Å; L52-I54 PolarHBondContact O-N 2.87Å; L52-Y55 PolarHBondContact O-N 3.49Å; L52-F56 HydrophobicContact CB-CD2 4.12Å; L52-F56 HydrophobicContact CB-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CE2 3.87Å; L52-F56 HydrophobicContact CG-CE2 4.48Å; L52-F56 WeakPolarHBondContact O-CB 3.41Å; L52-F56 VanDerWaalsContact O-CD2 3.25Å; L52-F56 WeakPolarHBondContact O-CD2 3.4Å; L52-F56 PolarHBondContact O-N 2.91Å; L52-I170 HydrophobicContact CD2-CG2 3.75Å |
| 53 | F | 95 | Very high | 92 | Very high | 133 Ų | 133 | 62.5 Ų | 62.5 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.3 | -37.6 | 177.1 | -75.2 | -29.1 | 0 | 0 | 0 | 112.4 | L49 V50 G57 | L49-F53 HydrophobicContact CB-CE2 4.36Å; L49-F53 VanDerWaalsContact O-CB 3.3Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 WeakPolarHBondContact O-CD2 3.48Å; L49-F53 VanDerWaalsContact O-CG 3.27Å; L49-F53 WeakPolarHBondContact O-CG 3.41Å; L49-F53 PolarHBondContact O-N 3.36Å; V50-F53 PolarHBondContact O-N 3.46Å; F53-G57 WeakPolarHBondContact O-CA 3.31Å; F53-G57 PolarHBondContact O-N 3.46Å |
| 54 | I | 94.2 | Very high | 91.5 | Very high | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 176 | -74.6 | 167.6 | 0 | 0 | 0 | 110.4 | V50 V51 L52 S58 C94 I97 A98 L101 | V50-I54 HydrophobicContact CG1-CD1 3.81Å; V50-I54 WeakPolarHBondContact O-CB 3.49Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.98Å; V51-I54 PolarHBondContact O-N 3.08Å; L52-I54 VanDerWaalsContact C-N 3.33Å; L52-I54 PolarHBondContact O-N 2.87Å; I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 2.98Å; I54-S58 PolarHBondContact O-OG 2.92Å; I54-C94 HydrophobicContact CG2-CB 4.15Å; I54-I97 HydrophobicContact CD1-CG2 4.28Å; I54-I97 HydrophobicContact CG2-CB 4.29Å; I54-I97 HydrophobicContact CG2-CG2 4.13Å; I54-A98 HydrophobicContact CB-CB 4.21Å; I54-A98 HydrophobicContact CD1-CB 3.54Å; I54-A98 HydrophobicContact CG1-CB 4.44Å; I54-A98 HydrophobicContact CG2-CB 4.38Å; I54-L101 HydrophobicContact CD1-CD2 4.17Å |
| 55 | Y | 93.9 | Very high | 90.9 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -60.2 | 178.9 | -176.7 | -110.4 | 0 | 0 | 0 | 112.1 | V51 L52 G57 S58 S59 V89 P91 C94 I170 | V51-Y55 WeakPolarHBondContact O-CB 3.29Å; V51-Y55 PolarHBondContact O-N 2.9Å; L52-Y55 PolarHBondContact O-N 3.49Å; Y55-G57 PolarHBondContact O-N 3.1Å; Y55-S58 PolarHBondContact O-N 3.03Å; Y55-S58 PolarHBondContact O-OG 3.16Å; Y55-S59 PolarHBondContact O-N 3.42Å; Y55-V89 HydrophobicContact CD2-CG1 4.04Å; Y55-V89 HydrophobicContact CE2-CG1 4.02Å; Y55-P91 HydrophobicContact CE2-CB 4.13Å; Y55-P91 HydrophobicContact CE2-CG 3.94Å; Y55-C94 HydrophobicContact CD2-CB 3.98Å; Y55-I170 HydrophobicContact CD1-CB 4Å; Y55-I170 HydrophobicContact CD1-CG2 3.74Å; Y55-I170 HydrophobicContact CD2-CB 4.13Å; Y55-I170 HydrophobicContact CD2-CD1 4.06Å; Y55-I170 HydrophobicContact CD2-CG2 4.45Å; Y55-I170 HydrophobicContact CE1-CB 4.38Å; Y55-I170 HydrophobicContact CG-CB 3.85Å; Y55-I170 HydrophobicContact CG-CD1 4.22Å; Y55-I170 HydrophobicContact CG-CG2 3.7Å |
| 56 | F | 92.8 | Very high | 90.3 | Very high | 125 Ų | 125 | 57.8 Ų | 57.8 | 55% | 0.548 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | -178.9 | -63.5 | -55.9 | 0 | 0 | 0 | 112.7 | L52 S59 Q60 | L52-F56 HydrophobicContact CB-CD2 4.12Å; L52-F56 HydrophobicContact CB-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CE2 3.87Å; L52-F56 HydrophobicContact CG-CE2 4.48Å; L52-F56 WeakPolarHBondContact O-CB 3.41Å; L52-F56 VanDerWaalsContact O-CD2 3.25Å; L52-F56 WeakPolarHBondContact O-CD2 3.4Å; L52-F56 PolarHBondContact O-N 2.91Å; F56-S59 PolarHBondContact O-N 3.46Å; F56-Q60 WeakPolarHBondContact O-CB 3.09Å; F56-Q60 PolarHBondContact O-N 3.45Å |
| 57 | G | 91.7 | Very high | 89.5 | Confident | 36 Ų | 36 | 61 Ų | 61 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F53 Y55 Q60 L61 | F53-G57 WeakPolarHBondContact O-CA 3.31Å; F53-G57 PolarHBondContact O-N 3.46Å; Y55-G57 PolarHBondContact O-N 3.1Å; G57-Q60 PolarHBondContact O-N 2.86Å; G57-L61 WeakPolarHBondContact O-CB 3.34Å; G57-L61 PolarHBondContact O-N 3.28Å |
| 58 | S | 88.2 | Confident | 88.6 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 173 | 65.7 | 0 | 0 | 0 | 0 | 112 | I54 Y55 L61 L62 V89 C94 | I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 2.98Å; I54-S58 PolarHBondContact O-OG 2.92Å; Y55-S58 PolarHBondContact O-N 3.03Å; Y55-S58 PolarHBondContact O-OG 3.16Å; S58-L61 PolarHBondContact O-N 3.17Å; S58-L62 WeakPolarHBondContact O-CG 3.49Å; S58-L62 PolarHBondContact O-N 3.3Å; S58-V89 WeakPolarHBondContact OG-CG1 3.34Å; S58-C94 PolarHBondContact OG-SG 3.45Å |
| 59 | S | 87.6 | Confident | 87.9 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 174 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | Y55 F56 L61 L62 L63 | Y55-S59 PolarHBondContact O-N 3.42Å; F56-S59 PolarHBondContact O-N 3.46Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 3.33Å; S59-L62 PolarHBondContact O-N 3.47Å; S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.24Å; S59-L63 VanDerWaalsContact O-N 3.11Å |
| 60 | Q | 87.4 | Confident | 86.9 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 178.9 | -176.1 | 59.9 | 39.6 | 0 | 0 | 112 | F56 G57 L63 T64 | F56-Q60 WeakPolarHBondContact O-CB 3.09Å; F56-Q60 PolarHBondContact O-N 3.45Å; G57-Q60 PolarHBondContact O-N 2.86Å; Q60-L63 PolarHBondContact O-N 3Å; Q60-T64 PolarHBondContact NE2-OG1 3.19Å; Q60-T64 WeakPolarHBondContact O-CB 3.33Å; Q60-T64 PolarHBondContact O-N 3.4Å; Q60-T64 PolarHBondContact O-OG1 2.86Å |
| 61 | L | 84.7 | Confident | 85.9 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 179.2 | -178.8 | 141.8 | 0 | 0 | 0 | 111.3 | G57 S58 S59 T64 L65 | G57-L61 WeakPolarHBondContact O-CB 3.34Å; G57-L61 PolarHBondContact O-N 3.28Å; S58-L61 PolarHBondContact O-N 3.17Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 3.33Å; L61-T64 PolarHBondContact O-N 2.84Å; L61-L65 HydrophobicContact CD2-CD1 3.55Å; L61-L65 HydrophobicContact CD2-CG 4.34Å; L61-L65 HydrophobicContact CG-CD1 4.2Å; L61-L65 WeakPolarHBondContact O-CB 3.21Å; L61-L65 VanDerWaalsContact O-CG 3.27Å; L61-L65 WeakPolarHBondContact O-CG 3.26Å; L61-L65 PolarHBondContact O-N 3.38Å |
| 62 | L | 84.4 | Confident | 85.1 | Confident | 44 Ų | 44 | 69 Ų | 69 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.4 | -69.5 | 172.9 | 0 | 0 | 0 | 111.3 | S58 S59 T64 L65 S66 I84 F87 V89 | S58-L62 WeakPolarHBondContact O-CG 3.49Å; S58-L62 PolarHBondContact O-N 3.3Å; S59-L62 PolarHBondContact O-N 3.47Å; L62-T64 PolarHBondContact O-N 3.45Å; L62-L65 PolarHBondContact O-N 2.88Å; L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 3.44Å; L62-I84 HydrophobicContact CD2-CD1 3.74Å; L62-I84 HydrophobicContact CD2-CG2 4.49Å; L62-F87 HydrophobicContact CB-CD1 3.81Å; L62-F87 HydrophobicContact CB-CE1 4.2Å; L62-V89 HydrophobicContact CD1-CG2 3.55Å |
| 63 | L | 83 | Confident | 84.3 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 175.8 | -70.8 | 169.6 | 0 | 0 | 0 | 111.6 | S59 Q60 L65 S66 D67 F87 | S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.24Å; S59-L63 VanDerWaalsContact O-N 3.11Å; Q60-L63 PolarHBondContact O-N 3Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.37Å; L63-S66 PolarHBondContact O-N 3.4Å; L63-S66 VanDerWaalsContact O-N 3.13Å; L63-D67 WeakPolarHBondContact O-CB 3.39Å; L63-D67 PolarHBondContact O-N 3.18Å; L63-F87 HydrophobicContact CD2-CD1 4.01Å; L63-F87 HydrophobicContact CD2-CE1 3.82Å; L63-F87 HydrophobicContact CD2-CZ 4.21Å; L63-F87 HydrophobicContact CG-CD1 4.4Å; L63-F87 HydrophobicContact CG-CE1 4.33Å |
| 64 | T | 82.6 | Confident | 83.5 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 36% | 0.362 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | -178.6 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | Q60 L61 L62 G68 | Q60-T64 PolarHBondContact NE2-OG1 3.19Å; Q60-T64 WeakPolarHBondContact O-CB 3.33Å; Q60-T64 PolarHBondContact O-N 3.4Å; Q60-T64 PolarHBondContact O-OG1 2.86Å; L61-T64 PolarHBondContact O-N 2.84Å; L62-T64 PolarHBondContact O-N 3.45Å; T64-G68 PolarHBondContact O-N 3.13Å |
| 65 | L | 82.9 | Confident | 82.6 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.194 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.7 | -30.6 | 175 | -70.6 | 178.3 | 0 | 0 | 0 | 112.7 | L61 L62 L63 F69 M82 I84 | L61-L65 HydrophobicContact CD2-CD1 3.55Å; L61-L65 HydrophobicContact CD2-CG 4.34Å; L61-L65 HydrophobicContact CG-CD1 4.2Å; L61-L65 WeakPolarHBondContact O-CB 3.21Å; L61-L65 VanDerWaalsContact O-CG 3.27Å; L61-L65 WeakPolarHBondContact O-CG 3.26Å; L61-L65 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 2.88Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.37Å; L65-F69 HydrophobicContact CD2-CD1 4.4Å; L65-F69 HydrophobicContact CD2-CE1 3.92Å; L65-M82 PolarHBondContact O-N 3.23Å; L65-I84 HydrophobicContact CB-CD1 4.14Å |
| 66 | S | 81.5 | Confident | 81.4 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 11% | 0.112 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -81.3 | -41.8 | 178.9 | -171.6 | 0 | 0 | 0 | 0 | 113.9 | L62 L63 G68 Q81 M82 F87 | L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 3.44Å; L63-S66 PolarHBondContact O-N 3.4Å; L63-S66 VanDerWaalsContact O-N 3.13Å; S66-G68 PolarHBondContact O-N 2.78Å; S66-Q81 WeakPolarHBondContact O-CG 3.27Å; S66-Q81 PolarHBondContact O-NE2 2.84Å; S66-M82 WeakPolarHBondContact CA-O 3.45Å; S66-F87 VanDerWaalsContact OG-CZ 3.25Å; S66-F87 WeakPolarHBondContact OG-CZ 3.29Å |
| 67 | D | 80.2 | Confident | 80.5 | Confident | 130 Ų | 130 | 78.6 Ų | 78.6 | 70% | 0.695 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.3 | -24.2 | 170.5 | -70 | -16.8 | 0 | 0 | 0 | 110.4 | L63 | L63-D67 WeakPolarHBondContact O-CB 3.39Å; L63-D67 PolarHBondContact O-N 3.18Å |
| 68 | G | 74.5 | Confident | 79.6 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 28% | 0.278 | 44% | 0.443 | S | S | . | . | trans | 79.8 | 148.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | T64 S66 V80 | T64-G68 PolarHBondContact O-N 3.13Å; S66-G68 PolarHBondContact O-N 2.78Å; G68-V80 CarbonylContact C-O 3.42Å; G68-V80 WeakPolarHBondContact CA-O 3.27Å | ||
| 69 | F | 79 | Confident | 78.9 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 38% | 0.377 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.4 | 172.3 | 74.6 | -78 | 0 | 0 | 0 | 110.2 | L65 I71 V80 | L65-F69 HydrophobicContact CD2-CD1 4.4Å; L65-F69 HydrophobicContact CD2-CE1 3.92Å; F69-I71 HydrophobicContact CD2-CG1 3.84Å; F69-I71 HydrophobicContact CE2-CD1 3.67Å; F69-I71 HydrophobicContact CE2-CG1 3.25Å; F69-I71 HydrophobicContact CZ-CD1 3.94Å; F69-I71 HydrophobicContact CZ-CG1 3.99Å; F69-V80 HydrophobicContact CD1-CB 4.13Å; F69-V80 HydrophobicContact CD1-CG1 4.47Å; F69-V80 HydrophobicContact CE1-CB 3.75Å; F69-V80 HydrophobicContact CE1-CG1 3.81Å; F69-V80 HydrophobicContact CE1-CG2 4.43Å; F69-V80 HydrophobicContact CZ-CB 4.15Å; F69-V80 HydrophobicContact CZ-CG1 4.38Å; F69-V80 HydrophobicContact CZ-CG2 4.34Å; F69-V80 PolarHBondContact N-O 3.16Å; F69-V80 PolarHBondContact O-N 3.27Å |
| 70 | T | 75.2 | Confident | 78.2 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 55% | 0.546 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.6 | 177.5 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | N72 P79 | T70-N72 PolarHBondContact O-N 3.29Å; T70-P79 HydrophobicContact CG2-CB 4.48Å |
| 71 | I | 75.8 | Confident | 77.5 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 34% | 0.338 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 105.4 | 169.7 | -57.7 | 176.9 | 0 | 0 | 0 | 107 | F69 L73 Q77 I78 V80 | F69-I71 HydrophobicContact CD2-CG1 3.84Å; F69-I71 HydrophobicContact CE2-CD1 3.67Å; F69-I71 HydrophobicContact CE2-CG1 3.25Å; F69-I71 HydrophobicContact CZ-CD1 3.94Å; F69-I71 HydrophobicContact CZ-CG1 3.99Å; I71-L73 HydrophobicContact CG2-CD1 4.22Å; I71-L73 HydrophobicContact CG2-CG 3.99Å; I71-L73 PolarHBondContact O-N 3.28Å; I71-Q77 WeakPolarHBondContact O-CA 3.34Å; I71-I78 PolarHBondContact N-O 3.45Å; I71-I78 PolarHBondContact O-N 3.29Å; I71-I78 VanDerWaalsContact O-N 3.09Å; I71-V80 HydrophobicContact CD1-CG2 4.01Å; I71-V80 HydrophobicContact CG1-CG2 4.39Å |
| 72 | N | 78.9 | Confident | 76.8 | Confident | 100 Ų | 100 | 84 Ų | 84 | 54% | 0.535 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 99.2 | 175.4 | -164.9 | -63.3 | 0 | 0 | 0 | 109.5 | T70 G74 | T70-N72 PolarHBondContact O-N 3.29Å; N72-G74 PolarHBondContact O-N 3.01Å; N72-G74 WeakPolarHBondContact OD1-CA 3.2Å; N72-G74 PolarHBondContact OD1-N 3.44Å |
| 73 | L | 77 | Confident | 76.1 | Confident | 117 Ų | 117 | 88.6 Ų | 88.6 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | trans | -90.4 | 32.1 | 172.8 | -75.2 | 158.6 | 0 | 0 | 0 | 111.4 | I71 F75 V76 I78 | I71-L73 HydrophobicContact CG2-CD1 4.22Å; I71-L73 HydrophobicContact CG2-CG 3.99Å; I71-L73 PolarHBondContact O-N 3.28Å; L73-F75 PolarHBondContact O-N 2.85Å; L73-V76 PolarHBondContact N-O 3.38Å; L73-I78 HydrophobicContact CD1-CD1 4.29Å | ||
| 74 | G | 77.1 | Confident | 75.3 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 72.7 | -50 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N72 | N72-G74 PolarHBondContact O-N 3.01Å; N72-G74 WeakPolarHBondContact OD1-CA 3.2Å; N72-G74 PolarHBondContact OD1-N 3.44Å |
| 75 | F | 76.2 | Confident | 74.3 | Confident | 209 Ų | 209 | 92.5 Ų | 92.5 | 92% | 0.917 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -107.1 | -18.3 | -179 | -61.3 | -79.1 | 0 | 0 | 0 | 113.7 | L73 | L73-F75 PolarHBondContact O-N 2.85Š|
| 76 | V | 68 | Low | 73.4 | Confident | 81 Ų | 81 | 96.5 Ų | 96.5 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | trans | -132.5 | 126.4 | -179 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | L73 I78 | L73-V76 PolarHBondContact N-O 3.38Å; V76-I78 HydrophobicContact CG1-CD1 4.42Å; V76-I78 HydrophobicContact CG1-CG1 3.76Å | ||
| 77 | Q | 74.5 | Confident | 72.9 | Confident | 131 Ų | 131 | 99.5 Ų | 99.5 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 112.4 | 169.3 | -64.2 | -179 | 52.2 | 0 | 0 | 107.2 | I71 P79 | I71-Q77 WeakPolarHBondContact O-CA 3.34Å; Q77-P79 VanDerWaalsContact O-CD 3.29Å; Q77-P79 WeakPolarHBondContact O-CD 3.5Å |
| 78 | I | 72.5 | Confident | 72.5 | Confident | 78 Ų | 78 | 100.5 Ų | 100.5 | 40% | 0.4 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 105.5 | 175.7 | -54.5 | 177.1 | 0 | 0 | 0 | 106.7 | I71 L73 V76 V80 | I71-I78 PolarHBondContact N-O 3.45Å; I71-I78 PolarHBondContact O-N 3.29Å; I71-I78 VanDerWaalsContact O-N 3.09Å; L73-I78 HydrophobicContact CD1-CD1 4.29Å; V76-I78 HydrophobicContact CG1-CD1 4.42Å; V76-I78 HydrophobicContact CG1-CG1 3.76Å; I78-V80 HydrophobicContact CG2-CG2 4.17Å; I78-V80 PolarHBondContact O-N 2.85Å |
| 79 | P | 73.9 | Confident | 72.7 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 64% | 0.643 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 115.8 | 169.3 | 28.4 | -31.2 | 0 | 0 | 0 | 108 | T70 Q77 | T70-P79 HydrophobicContact CG2-CB 4.48Å; Q77-P79 VanDerWaalsContact O-CD 3.29Å; Q77-P79 WeakPolarHBondContact O-CD 3.5Å |
| 80 | V | 72.7 | Confident | 73.2 | Confident | 38 Ų | 38 | 99 Ų | 99 | 23% | 0.23 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 100.2 | 170.2 | -178.6 | 0 | 0 | 0 | 0 | 106.2 | G68 F69 I71 I78 | G68-V80 CarbonylContact C-O 3.42Å; G68-V80 WeakPolarHBondContact CA-O 3.27Å; F69-V80 HydrophobicContact CD1-CB 4.13Å; F69-V80 HydrophobicContact CD1-CG1 4.47Å; F69-V80 HydrophobicContact CE1-CB 3.75Å; F69-V80 HydrophobicContact CE1-CG1 3.81Å; F69-V80 HydrophobicContact CE1-CG2 4.43Å; F69-V80 HydrophobicContact CZ-CB 4.15Å; F69-V80 HydrophobicContact CZ-CG1 4.38Å; F69-V80 HydrophobicContact CZ-CG2 4.34Å; F69-V80 PolarHBondContact N-O 3.16Å; F69-V80 PolarHBondContact O-N 3.27Å; I71-V80 HydrophobicContact CD1-CG2 4.01Å; I71-V80 HydrophobicContact CG1-CG2 4.39Å; I78-V80 HydrophobicContact CG2-CG2 4.17Å; I78-V80 PolarHBondContact O-N 2.85Å |
| 81 | Q | 73.1 | Confident | 73.9 | Confident | 129 Ų | 129 | 96.6 Ų | 96.6 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | trans | -121.9 | 127.3 | 171.2 | -171.7 | 178.4 | 7.6 | 0 | 0 | 107.5 | S66 | S66-Q81 WeakPolarHBondContact O-CG 3.27Å; S66-Q81 PolarHBondContact O-NE2 2.84Å | ||
| 82 | M | 69.9 | Low | 74.7 | Confident | 103 Ų | 103 | 96.2 Ų | 96.2 | 51% | 0.507 | 51% | 0.512 | S | S | . | . | trans | -108.7 | 122.7 | 167.7 | -65.5 | -161.1 | -151.6 | 0 | 0 | 107.7 | L65 S66 I84 | L65-M82 PolarHBondContact O-N 3.23Å; S66-M82 WeakPolarHBondContact CA-O 3.45Å; M82-I84 VanDerWaalsContact C-N 3.34Å; M82-I84 HydrophobicContact CB-CD1 4.24Å; M82-I84 HydrophobicContact CB-CG1 4.01Å; M82-I84 PolarHBondContact O-N 3.39Å | ||
| 83 | D | 69.2 | Low | 75.4 | Confident | 141 Ų | 141 | 96.2 Ų | 96.2 | 75% | 0.754 | 51% | 0.511 | S | S | * | . | trans | -73.5 | 92.3 | 175.5 | -137.5 | -11 | 0 | 0 | 0 | 108.4 | ||||
| 84 | I | 66.6 | Low | 76.2 | Confident | 36 Ų | 36 | 90.9 Ų | 90.9 | 19% | 0.185 | 48% | 0.484 | C | S | . | . | trans | -100 | 91.8 | 179.6 | -59.1 | 169.3 | 0 | 0 | 0 | 106.9 | L62 L65 M82 N86 F87 | L62-I84 HydrophobicContact CD2-CD1 3.74Å; L62-I84 HydrophobicContact CD2-CG2 4.49Å; L65-I84 HydrophobicContact CB-CD1 4.14Å; M82-I84 VanDerWaalsContact C-N 3.34Å; M82-I84 HydrophobicContact CB-CD1 4.24Å; M82-I84 HydrophobicContact CB-CG1 4.01Å; M82-I84 PolarHBondContact O-N 3.39Å; I84-N86 WeakPolarHBondContact CG2-O 3.5Å; I84-N86 PolarHBondContact O-N 3.03Å; I84-F87 VanDerWaalsContact O-CE2 3.23Å; I84-F87 WeakPolarHBondContact O-CE2 3.46Å | ||
| 85 | E | 62.3 | Low | 77 | Confident | 170 Ų | 170 | 88 Ų | 88 | 79% | 0.794 | 45% | 0.454 | S | S | * | . | trans | -66.1 | -27.7 | 178.5 | -68.5 | -176.8 | 161 | 0 | 0 | 112.6 | ||||
| 86 | N | 64.3 | Low | 78 | Confident | 120 Ų | 120 | 78.6 Ų | 78.6 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | trans | -112.2 | 100.8 | -176.2 | -65.8 | -55.4 | 0 | 0 | 0 | 111.7 | I84 D88 | I84-N86 WeakPolarHBondContact CG2-O 3.5Å; I84-N86 PolarHBondContact O-N 3.03Å; N86-D88 PolarHBondContact O-N 3.24Å | ||
| 87 | F | 69.2 | Low | 79.3 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | trans | -85.6 | 22.6 | 172.4 | -64.1 | -85.5 | 0 | 0 | 0 | 113.6 | L62 L63 S66 I84 V89 | L62-F87 HydrophobicContact CB-CD1 3.81Å; L62-F87 HydrophobicContact CB-CE1 4.2Å; L63-F87 HydrophobicContact CD2-CD1 4.01Å; L63-F87 HydrophobicContact CD2-CE1 3.82Å; L63-F87 HydrophobicContact CD2-CZ 4.21Å; L63-F87 HydrophobicContact CG-CD1 4.4Å; L63-F87 HydrophobicContact CG-CE1 4.33Å; S66-F87 VanDerWaalsContact OG-CZ 3.25Å; S66-F87 WeakPolarHBondContact OG-CZ 3.29Å; I84-F87 VanDerWaalsContact O-CE2 3.23Å; I84-F87 WeakPolarHBondContact O-CE2 3.46Å; F87-V89 VanDerWaalsContact C-N 3.3Å; F87-V89 PolarHBondContact O-N 2.87Å | ||
| 88 | D | 71.9 | Confident | 80.3 | Confident | 151 Ų | 151 | 72.3 Ų | 72.3 | 81% | 0.807 | 38% | 0.381 | S | S | * | . | trans | -75.7 | 86.1 | -177.7 | -80.3 | -16.9 | 0 | 0 | 0 | 110.6 | N86 S90 | N86-D88 PolarHBondContact O-N 3.24Å; D88-S90 PolarHBondContact O-N 3.13Å | ||
| 89 | V | 79.2 | Confident | 81.5 | Confident | 24 Ų | 24 | 68.6 Ų | 68.6 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | trans | -71.5 | 94.7 | 170.7 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | Y55 S58 L62 F87 P91 C94 | Y55-V89 HydrophobicContact CD2-CG1 4.04Å; Y55-V89 HydrophobicContact CE2-CG1 4.02Å; S58-V89 WeakPolarHBondContact OG-CG1 3.34Å; L62-V89 HydrophobicContact CD1-CG2 3.55Å; F87-V89 VanDerWaalsContact C-N 3.3Å; F87-V89 PolarHBondContact O-N 2.87Å; V89-P91 WeakPolarHBondContact O-CD 3.42Å; V89-P91 VanDerWaalsContact O-N 3.15Å; V89-C94 WeakPolarHBondContact CG1-SG 3.35Å | ||
| 90 | S | 89.4 | Confident | 82.6 | Confident | 58 Ų | 58 | 64 Ų | 64 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | trans | -59.9 | 115.9 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | D88 F92 L93 C94 | D88-S90 PolarHBondContact O-N 3.13Å; S90-F92 PolarHBondContact O-N 3.49Å; S90-F92 VanDerWaalsContact O-N 3.16Å; S90-L93 PolarHBondContact O-N 2.83Å; S90-C94 PolarHBondContact O-N 2.92Å; S90-C94 VanDerWaalsContact O-N 3.11Å | ||
| 91 | P | 91.3 | Very high | 83.7 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -32.1 | 179 | -25.6 | 35.4 | 0 | 0 | 0 | 112.9 | Y55 V89 C94 G95 I170 V172 | Y55-P91 HydrophobicContact CE2-CB 4.13Å; Y55-P91 HydrophobicContact CE2-CG 3.94Å; V89-P91 WeakPolarHBondContact O-CD 3.42Å; V89-P91 VanDerWaalsContact O-N 3.15Å; P91-C94 PolarHBondContact O-N 3.27Å; P91-G95 PolarHBondContact O-N 3.23Å; P91-I170 HydrophobicContact CB-CD1 4.41Å; P91-I170 HydrophobicContact CB-CG1 4.49Å; P91-I170 WeakPolarHBondContact CB-O 3.27Å; P91-I170 WeakPolarHBondContact O-CD1 3.46Å; P91-V172 HydrophobicContact CB-CG2 3.56Å; P91-V172 WeakPolarHBondContact O-CG2 3.23Å |
| 92 | F | 92.2 | Very high | 84.8 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.4 | 179.7 | -95.8 | 0 | 0 | 0 | 111.1 | M1 L5 S90 G95 V96 | M1-F92 HydrophobicContact CE-CD2 3.46Å; M1-F92 VanDerWaalsContact CE-CD2 3.46Å; M1-F92 HydrophobicContact CE-CE2 3.76Å; M1-F92 HydrophobicContact CE-CG 4.11Å; L5-F92 HydrophobicContact CB-CD2 4.49Å; L5-F92 HydrophobicContact CB-CE2 3.83Å; L5-F92 HydrophobicContact CD1-CD2 3.55Å; L5-F92 HydrophobicContact CD1-CE2 3.59Å; L5-F92 HydrophobicContact CD1-CG 4.31Å; L5-F92 HydrophobicContact CD1-CZ 4.36Å; L5-F92 HydrophobicContact CG-CE2 4.33Å; S90-F92 PolarHBondContact O-N 3.49Å; S90-F92 VanDerWaalsContact O-N 3.16Å; F92-G95 PolarHBondContact O-N 3.06Å; F92-V96 HydrophobicContact CD1-CG2 4.21Å; F92-V96 HydrophobicContact CE1-CG2 3.8Å; F92-V96 HydrophobicContact CZ-CG2 3.97Å; F92-V96 WeakPolarHBondContact O-CG2 3.3Å; F92-V96 PolarHBondContact O-N 3.19Å |
| 93 | L | 92.4 | Very high | 86.1 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 52% | 0.518 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 178.9 | -174.3 | 66.6 | 0 | 0 | 0 | 111.1 | S90 G95 V96 I97 | S90-L93 PolarHBondContact O-N 2.83Å; L93-G95 VanDerWaalsContact C-N 3.29Å; L93-G95 PolarHBondContact O-N 2.96Å; L93-V96 PolarHBondContact O-N 2.9Å; L93-I97 HydrophobicContact CD1-CD1 4.43Å; L93-I97 HydrophobicContact CG-CD1 3.96Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 3.48Å |
| 94 | C | 94.1 | Very high | 87.5 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.034 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 174.5 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | I54 Y55 S58 V89 S90 P91 I97 A98 I170 | I54-C94 HydrophobicContact CG2-CB 4.15Å; Y55-C94 HydrophobicContact CD2-CB 3.98Å; S58-C94 PolarHBondContact OG-SG 3.45Å; V89-C94 WeakPolarHBondContact CG1-SG 3.35Å; S90-C94 PolarHBondContact O-N 2.92Å; S90-C94 VanDerWaalsContact O-N 3.11Å; P91-C94 PolarHBondContact O-N 3.27Å; C94-I97 PolarHBondContact O-N 2.99Å; C94-A98 VanDerWaalsContact O-CB 3.3Å; C94-A98 WeakPolarHBondContact O-CB 3.46Å; C94-A98 PolarHBondContact O-N 3.41Å; C94-I170 HydrophobicContact CB-CD1 4.06Å |
| 95 | G | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P91 F92 L93 A98 L99 | P91-G95 PolarHBondContact O-N 3.23Å; F92-G95 PolarHBondContact O-N 3.06Å; L93-G95 VanDerWaalsContact C-N 3.29Å; L93-G95 PolarHBondContact O-N 2.96Å; G95-A98 PolarHBondContact O-N 2.85Å; G95-L99 VanDerWaalsContact O-CB 3.24Å; G95-L99 WeakPolarHBondContact O-CB 3.25Å; G95-L99 VanDerWaalsContact O-CG 3.25Å; G95-L99 WeakPolarHBondContact O-CG 3.48Å; G95-L99 PolarHBondContact O-N 3.37Å |
| 96 | V | 95.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 176 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L5 C8 V12 F92 L93 S100 | L5-V96 HydrophobicContact CD1-CG2 3.92Å; C8-V96 HydrophobicContact CB-CG1 4.25Å; C8-V96 HydrophobicContact CB-CG2 3.99Å; V12-V96 HydrophobicContact CG2-CG1 4.38Å; F92-V96 HydrophobicContact CD1-CG2 4.21Å; F92-V96 HydrophobicContact CE1-CG2 3.8Å; F92-V96 HydrophobicContact CZ-CG2 3.97Å; F92-V96 WeakPolarHBondContact O-CG2 3.3Å; F92-V96 PolarHBondContact O-N 3.19Å; L93-V96 PolarHBondContact O-N 2.9Å; V96-S100 WeakPolarHBondContact O-CB 3.29Å; V96-S100 PolarHBondContact O-N 3.39Å; V96-S100 PolarHBondContact O-OG 3.5Å |
| 97 | I | 95.5 | Very high | 92.1 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 41% | 0.405 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 179.3 | -66.4 | 167.5 | 0 | 0 | 0 | 110.2 | I54 L93 C94 S100 L101 | I54-I97 HydrophobicContact CD1-CG2 4.28Å; I54-I97 HydrophobicContact CG2-CB 4.29Å; I54-I97 HydrophobicContact CG2-CG2 4.13Å; L93-I97 HydrophobicContact CD1-CD1 4.43Å; L93-I97 HydrophobicContact CG-CD1 3.96Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 3.48Å; C94-I97 PolarHBondContact O-N 2.99Å; I97-S100 WeakPolarHBondContact CA-OG 3.28Å; I97-S100 PolarHBondContact O-OG 3.27Å; I97-L101 WeakPolarHBondContact O-CB 3.28Å; I97-L101 PolarHBondContact O-N 3.49Å |
| 98 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -51.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V51 I54 C94 G95 S100 L101 L102 | V51-A98 HydrophobicContact CB-CB 4.25Å; V51-A98 HydrophobicContact CG2-CB 3.77Å; I54-A98 HydrophobicContact CB-CB 4.21Å; I54-A98 HydrophobicContact CD1-CB 3.54Å; I54-A98 HydrophobicContact CG1-CB 4.44Å; I54-A98 HydrophobicContact CG2-CB 4.38Å; C94-A98 VanDerWaalsContact O-CB 3.3Å; C94-A98 WeakPolarHBondContact O-CB 3.46Å; C94-A98 PolarHBondContact O-N 3.41Å; G95-A98 PolarHBondContact O-N 2.85Å; A98-S100 PolarHBondContact O-N 2.79Å; A98-L101 PolarHBondContact O-N 3.13Å; A98-L102 WeakPolarHBondContact O-CG 3.41Å; A98-L102 PolarHBondContact O-N 3.01Å |
| 99 | L | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | -179.2 | -68.9 | -175.3 | 0 | 0 | 0 | 112.2 | L5 A9 V51 G95 Y103 L160 D163 T164 V167 | L5-L99 HydrophobicContact CD2-CD1 3.64Å; L5-L99 HydrophobicContact CG-CD1 4.17Å; A9-L99 HydrophobicContact CB-CB 3.8Å; V51-L99 HydrophobicContact CG2-CD2 4.47Å; G95-L99 VanDerWaalsContact O-CB 3.24Å; G95-L99 WeakPolarHBondContact O-CB 3.25Å; G95-L99 VanDerWaalsContact O-CG 3.25Å; G95-L99 WeakPolarHBondContact O-CG 3.48Å; G95-L99 PolarHBondContact O-N 3.37Å; L99-Y103 WeakPolarHBondContact O-CB 3.4Å; L99-Y103 PolarHBondContact O-N 3.42Å; L99-L160 HydrophobicContact CB-CD1 3.72Å; L99-L160 HydrophobicContact CD1-CD1 4.29Å; L99-L160 HydrophobicContact CD2-CD1 4.42Å; L99-L160 HydrophobicContact CG-CD1 4.38Å; L99-D163 HydrophobicContact CD2-CB 3.83Å; L99-T164 HydrophobicContact CD1-CG2 4.09Å; L99-V167 HydrophobicContact CD1-CG2 3.62Å; L99-V167 HydrophobicContact CD2-CG2 4.12Å; L99-V167 HydrophobicContact CG-CG2 3.84Å |
| 100 | S | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 175.9 | 62.5 | 0 | 0 | 0 | 0 | 112 | A9 G13 V96 I97 A98 A104 | A9-S100 WeakPolarHBondContact O-CB 3.49Å; G13-S100 VanDerWaalsContact CA-O 3.29Å; G13-S100 WeakPolarHBondContact CA-O 3.42Å; V96-S100 WeakPolarHBondContact O-CB 3.29Å; V96-S100 PolarHBondContact O-N 3.39Å; V96-S100 PolarHBondContact O-OG 3.5Å; I97-S100 WeakPolarHBondContact CA-OG 3.28Å; I97-S100 PolarHBondContact O-OG 3.27Å; A98-S100 PolarHBondContact O-N 2.79Å; S100-A104 WeakPolarHBondContact O-CB 3.19Å; S100-A104 PolarHBondContact O-N 3.39Å |
| 101 | L | 96.7 | Very high | 95.6 | Very high | 40 Ų | 40 | 24 Ų | 24 | 21% | 0.209 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 178.4 | -172.8 | 65.9 | 0 | 0 | 0 | 111.8 | F20 L42 I54 I97 A98 A104 A105 | F20-L101 HydrophobicContact CE2-CD1 3.92Å; F20-L101 HydrophobicContact CZ-CD1 3.74Å; L42-L101 HydrophobicContact CD1-CD1 3.69Å; L42-L101 HydrophobicContact CD1-CD2 4.11Å; L42-L101 HydrophobicContact CD1-CG 3.55Å; L42-L101 HydrophobicContact CD2-CD2 3.63Å; L42-L101 HydrophobicContact CD2-CG 3.89Å; L42-L101 HydrophobicContact CG-CG 4.37Å; I54-L101 HydrophobicContact CD1-CD2 4.17Å; I97-L101 WeakPolarHBondContact O-CB 3.28Å; I97-L101 PolarHBondContact O-N 3.49Å; A98-L101 PolarHBondContact O-N 3.13Å; L101-A104 PolarHBondContact O-N 2.82Å; L101-A105 PolarHBondContact O-N 2.93Å; L101-A105 VanDerWaalsContact O-N 3.1Å |
| 102 | L | 96 | Very high | 95.7 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -52.1 | 173.8 | -73.2 | 166 | 0 | 0 | 0 | 111 | E47 V50 A98 A104 A105 Y106 | E47-L102 HydrophobicContact CB-CD1 3.77Å; E47-L102 HydrophobicContact CG-CD1 3.96Å; E47-L102 HydrophobicContact CG-CD2 4.3Å; V50-L102 HydrophobicContact CB-CD1 4.16Å; V50-L102 HydrophobicContact CB-CD2 4.06Å; V50-L102 HydrophobicContact CB-CG 4.25Å; V50-L102 HydrophobicContact CG1-CD1 4.21Å; V50-L102 HydrophobicContact CG1-CD2 4.13Å; V50-L102 HydrophobicContact CG1-CG 3.98Å; V50-L102 HydrophobicContact CG2-CD2 3.9Å; A98-L102 WeakPolarHBondContact O-CG 3.41Å; A98-L102 PolarHBondContact O-N 3.01Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 2.93Å; L102-Y106 VanDerWaalsContact O-CD2 3.32Å; L102-Y106 WeakPolarHBondContact O-CD2 3.35Å; L102-Y106 PolarHBondContact O-N 2.95Å |
| 103 | Y | 97.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 24 Ų | 24 | 4% | 0.043 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 176.6 | 179.3 | -91.4 | 0 | 0 | 0 | 111.2 | L10 L14 L99 A105 Y106 A107 Q156 L160 | L10-Y103 HydrophobicContact CD1-CE1 4.03Å; L10-Y103 HydrophobicContact CD1-CE2 3.9Å; L10-Y103 WeakPolarHBondContact CD1-OH 3.5Å; L14-Y103 HydrophobicContact CB-CE1 4.31Å; L99-Y103 WeakPolarHBondContact O-CB 3.4Å; L99-Y103 PolarHBondContact O-N 3.42Å; Y103-A105 VanDerWaalsContact C-N 3.3Å; Y103-A105 PolarHBondContact O-N 3.28Å; Y103-Y106 PolarHBondContact O-N 2.86Å; Y103-A107 HydrophobicContact CD1-CB 4Å; Y103-A107 HydrophobicContact CE1-CB 3.69Å; Y103-A107 WeakPolarHBondContact O-CB 3.44Å; Y103-A107 PolarHBondContact O-N 2.84Å; Y103-Q156 HydrophobicContact CD2-CB 4.04Å; Y103-Q156 HydrophobicContact CE2-CB 3.57Å; Y103-L160 HydrophobicContact CD2-CB 4.16Å; Y103-L160 HydrophobicContact CD2-CD2 3.94Å; Y103-L160 HydrophobicContact CD2-CG 4.5Å; Y103-L160 HydrophobicContact CE2-CD2 4.46Å; Y103-L160 HydrophobicContact CG-CD2 4.27Å |
| 104 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.6 | -39.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G13 L16 A17 F20 S100 L101 L102 S108 | G13-A104 WeakPolarHBondContact O-CA 3.44Å; G13-A104 WeakPolarHBondContact O-CB 3.22Å; L16-A104 HydrophobicContact CB-CB 3.44Å; L16-A104 VanDerWaalsContact CB-CB 3.44Å; A17-A104 HydrophobicContact CB-CB 4.4Å; F20-A104 HydrophobicContact CD2-CB 3.84Å; F20-A104 HydrophobicContact CE2-CB 3.87Å; S100-A104 WeakPolarHBondContact O-CB 3.19Å; S100-A104 PolarHBondContact O-N 3.39Å; L101-A104 PolarHBondContact O-N 2.82Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.36Å; A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 2.71Å; A104-S108 PolarHBondContact O-OG 3.44Å |
| 105 | A | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | V39 L42 R43 L101 L102 Y103 S108 Q109 | V39-A105 HydrophobicContact CG1-CB 4.13Å; V39-A105 WeakPolarHBondContact CG1-O 3.32Å; L42-A105 HydrophobicContact CB-CB 3.79Å; L42-A105 HydrophobicContact CD1-CB 4.06Å; R43-A105 WeakPolarHBondContact CD-O 3.46Å; R43-A105 HydrophobicContact CG-CB 3.78Å; L101-A105 PolarHBondContact O-N 2.93Å; L101-A105 VanDerWaalsContact O-N 3.1Å; L102-A105 PolarHBondContact O-N 2.93Å; Y103-A105 VanDerWaalsContact C-N 3.3Å; Y103-A105 PolarHBondContact O-N 3.28Å; A105-S108 PolarHBondContact O-OG 2.98Å; A105-Q109 WeakPolarHBondContact O-CG 3.23Å |
| 106 | Y | 96.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 30 Ų | 30 | 24% | 0.235 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -76.4 | -38.5 | 175.5 | -71.6 | -76.5 | 0 | 0 | 0 | 112.9 | R43 L102 Y103 Q109 T110 | R43-Y106 HydrophobicContact CB-CE1 4.05Å; R43-Y106 HydrophobicContact CG-CD1 3.93Å; R43-Y106 HydrophobicContact CG-CD2 4.24Å; R43-Y106 HydrophobicContact CG-CE1 3.83Å; R43-Y106 HydrophobicContact CG-CE2 4.15Å; R43-Y106 HydrophobicContact CG-CG 4.14Å; R43-Y106 PolarHBondContact O-OH 3.29Å; R43-Y106 VanDerWaalsContact O-OH 3.13Å; L102-Y106 VanDerWaalsContact O-CD2 3.32Å; L102-Y106 WeakPolarHBondContact O-CD2 3.35Å; L102-Y106 PolarHBondContact O-N 2.95Å; Y103-Y106 PolarHBondContact O-N 2.86Å; Y106-Q109 PolarHBondContact O-N 3.44Å; Y106-T110 PolarHBondContact O-N 3.46Å; Y106-T110 VanDerWaalsContact O-N 3.08Å; Y106-T110 PolarHBondContact O-OG1 3.49Å |
| 107 | A | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.4 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A17 Y103 Q109 T110 L111 L153 | A17-A107 HydrophobicContact CB-CB 3.55Å; Y103-A107 HydrophobicContact CD1-CB 4Å; Y103-A107 HydrophobicContact CE1-CB 3.69Å; Y103-A107 WeakPolarHBondContact O-CB 3.44Å; Y103-A107 PolarHBondContact O-N 2.84Å; A107-Q109 VanDerWaalsContact C-N 3.27Å; A107-Q109 PolarHBondContact O-N 3.47Å; A107-T110 WeakPolarHBondContact O-CB 3.2Å; A107-T110 PolarHBondContact O-N 3.21Å; A107-L111 WeakPolarHBondContact O-CB 3.45Å; A107-L111 VanDerWaalsContact O-CG 3.31Å; A107-L111 WeakPolarHBondContact O-CG 3.44Å; A107-L111 PolarHBondContact O-N 2.95Å; A107-L153 HydrophobicContact CB-CD2 3.61Å |
| 108 | S | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 176.1 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | A17 A104 A105 L111 R112 | A17-S108 WeakPolarHBondContact O-CB 3.45Å; A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 2.71Å; A104-S108 PolarHBondContact O-OG 3.44Å; A105-S108 PolarHBondContact O-OG 2.98Å; S108-L111 PolarHBondContact O-N 3.46Å; S108-R112 WeakPolarHBondContact O-CB 3.32Å; S108-R112 VanDerWaalsContact O-CG 3.28Å; S108-R112 WeakPolarHBondContact O-CG 3.43Å; S108-R112 PolarHBondContact O-N 2.76Å |
| 109 | Q | 95.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 32.2 Ų | 32.2 | 24% | 0.243 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.4 | -38 | 178.2 | -64.7 | -75.9 | -45.8 | 0 | 0 | 111.5 | E24 V39 R43 A105 Y106 A107 R112 G113 | E24-Q109 VanDerWaalsContact CD-NE2 3.31Å; E24-Q109 PolarHBondContact OE1-NE2 3.36Å; E24-Q109 PolarHBondContact OE2-NE2 2.9Å; V39-Q109 HydrophobicContact CG1-CG 4.02Å; R43-Q109 VanDerWaalsContact NH1-CG 3.31Å; A105-Q109 WeakPolarHBondContact O-CG 3.23Å; Y106-Q109 PolarHBondContact O-N 3.44Å; A107-Q109 VanDerWaalsContact C-N 3.27Å; A107-Q109 PolarHBondContact O-N 3.47Å; Q109-R112 VanDerWaalsContact NE2-NH1 3.15Å; Q109-R112 PolarHBondContact O-N 3.34Å; Q109-G113 PolarHBondContact O-N 3.44Å |
| 110 | T | 95.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 171.4 | -58 | 0 | 0 | 0 | 0 | 110.8 | Y106 A107 G113 A114 L153 | Y106-T110 PolarHBondContact O-N 3.46Å; Y106-T110 VanDerWaalsContact O-N 3.08Å; Y106-T110 PolarHBondContact O-OG1 3.49Å; A107-T110 WeakPolarHBondContact O-CB 3.2Å; A107-T110 PolarHBondContact O-N 3.21Å; T110-G113 PolarHBondContact O-N 3.3Å; T110-A114 VanDerWaalsContact O-CB 3.28Å; T110-A114 WeakPolarHBondContact O-CB 3.42Å; T110-A114 PolarHBondContact O-N 2.89Å; T110-L153 HydrophobicContact CG2-CD2 4.16Å; T110-L153 HydrophobicContact CG2-CG 4.15Å |
| 111 | L | 95.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 177.1 | -71.9 | 169.6 | 0 | 0 | 0 | 111.9 | A17 M18 A21 A107 S108 A114 L115 W146 A149 L153 | A17-L111 HydrophobicContact CB-CD1 4.02Å; M18-L111 HydrophobicContact CG-CD1 4.17Å; A21-L111 HydrophobicContact CB-CB 4.41Å; A107-L111 WeakPolarHBondContact O-CB 3.45Å; A107-L111 VanDerWaalsContact O-CG 3.31Å; A107-L111 WeakPolarHBondContact O-CG 3.44Å; A107-L111 PolarHBondContact O-N 2.95Å; S108-L111 PolarHBondContact O-N 3.46Å; L111-A114 PolarHBondContact O-N 3.18Å; L111-L115 WeakPolarHBondContact O-CB 3.35Å; L111-L115 PolarHBondContact O-N 3.35Å; L111-W146 HydrophobicContact CD2-CH2 4.19Å; L111-W146 HydrophobicContact CD2-CZ3 4.19Å; L111-A149 HydrophobicContact CD2-CB 3.99Å; L111-L153 HydrophobicContact CD2-CD1 4.22Å |
| 112 | R | 92.7 | Very high | 93.9 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 21% | 0.211 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 176.6 | -73.1 | 176.9 | 73.7 | -151 | 7.1 | 112.3 | A21 E24 S108 Q109 A114 L115 K116 | A21-R112 HydrophobicContact CB-CG 4.1Å; E24-R112 IonicContact OE1-CZ 3.79Å; E24-R112 IonicContact OE1-NH1 2.82Å; E24-R112 PolarHBondContact OE1-NH1 3.1Å; E24-R112 WeakPolarHBondContact OE2-CD 3.4Å; E24-R112 IonicContact OE2-NH1 3.39Å; E24-R112 PolarHBondContact OE2-NH1 3.5Å; S108-R112 WeakPolarHBondContact O-CB 3.32Å; S108-R112 VanDerWaalsContact O-CG 3.28Å; S108-R112 WeakPolarHBondContact O-CG 3.43Å; S108-R112 PolarHBondContact O-N 2.76Å; Q109-R112 VanDerWaalsContact NE2-NH1 3.15Å; Q109-R112 PolarHBondContact O-N 3.34Å; R112-A114 VanDerWaalsContact C-N 3.33Å; R112-L115 PolarHBondContact O-N 3.1Å; R112-K116 WeakPolarHBondContact O-CG 3.09Å; R112-K116 PolarHBondContact O-N 2.79Å; R112-K116 VanDerWaalsContact O-N 3.08Å |
| 113 | G | 93.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q109 T110 L115 K116 A117 | Q109-G113 PolarHBondContact O-N 3.44Å; T110-G113 PolarHBondContact O-N 3.3Å; G113-L115 VanDerWaalsContact C-N 3.34Å; G113-L115 PolarHBondContact O-N 3.1Å; G113-K116 PolarHBondContact O-N 3.34Å; G113-A117 PolarHBondContact O-N 2.9Å |
| 114 | A | 94 | Very high | 93.4 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T110 L111 R112 K116 A117 M145 H148 A149 | T110-A114 VanDerWaalsContact O-CB 3.28Å; T110-A114 WeakPolarHBondContact O-CB 3.42Å; T110-A114 PolarHBondContact O-N 2.89Å; L111-A114 PolarHBondContact O-N 3.18Å; R112-A114 VanDerWaalsContact C-N 3.33Å; A114-K116 VanDerWaalsContact C-N 3.34Å; A114-A117 WeakPolarHBondContact O-CB 3.43Å; A114-A117 PolarHBondContact O-N 3.34Å; A114-M145 HydrophobicContact CB-CG 4.03Å; A114-M145 WeakPolarHBondContact CB-O 3.07Å; A114-H148 HydrophobicContact CB-CB 3.88Å; A114-A149 HydrophobicContact CB-CB 3.64Å |
| 115 | L | 92.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 29% | 0.293 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 175.9 | -177 | 60.7 | 0 | 0 | 0 | 111.5 | L111 R112 G113 A117 V118 F137 V141 M145 | L111-L115 WeakPolarHBondContact O-CB 3.35Å; L111-L115 PolarHBondContact O-N 3.35Å; R112-L115 PolarHBondContact O-N 3.1Å; G113-L115 VanDerWaalsContact C-N 3.34Å; G113-L115 PolarHBondContact O-N 3.1Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-V118 PolarHBondContact O-N 3.39Å; L115-F137 HydrophobicContact CD1-CE2 4.15Å; L115-V141 HydrophobicContact CD1-CG1 3.56Å; L115-M145 HydrophobicContact CB-CG 4.12Å; L115-M145 HydrophobicContact CB-SD 3.83Å; L115-M145 HydrophobicContact CD1-CG 4.41Å; L115-M145 HydrophobicContact CD1-SD 3.84Å; L115-M145 HydrophobicContact CG-SD 4.32Å |
| 116 | K | 91.5 | Very high | 92.9 | Very high | 170 Ų | 170 | 51.3 Ų | 51.3 | 74% | 0.739 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.3 | -23.5 | 175.4 | -71.1 | -179.7 | -179.1 | -178.5 | 0 | 113.4 | R112 G113 A114 V118 | R112-K116 WeakPolarHBondContact O-CG 3.09Å; R112-K116 PolarHBondContact O-N 2.79Å; R112-K116 VanDerWaalsContact O-N 3.08Å; G113-K116 PolarHBondContact O-N 3.34Å; A114-K116 VanDerWaalsContact C-N 3.34Å; K116-V118 VanDerWaalsContact C-N 3.26Å |
| 117 | A | 91.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.3 | -21.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G113 A114 L115 H148 | G113-A117 PolarHBondContact O-N 2.9Å; A114-A117 WeakPolarHBondContact O-CB 3.43Å; A114-A117 PolarHBondContact O-N 3.34Å; L115-A117 VanDerWaalsContact C-N 3.3Å; A117-H148 HydrophobicContact CB-CB 4.38Å |
| 118 | V | 91.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -70.2 | 126.7 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | L115 K116 V120 Q122 V141 Q144 M145 | L115-V118 PolarHBondContact O-N 3.39Å; K116-V118 VanDerWaalsContact C-N 3.26Å; V118-V120 PolarHBondContact O-N 2.82Å; V118-Q122 HydrophobicContact CG1-CB 4.35Å; V118-Q122 HydrophobicContact CG1-CG 4.2Å; V118-V141 HydrophobicContact CB-CG1 4.38Å; V118-V141 HydrophobicContact CG1-CG1 4.17Å; V118-V141 HydrophobicContact CG2-CG1 4.34Å; V118-Q144 HydrophobicContact CG1-CB 4.24Å; V118-Q144 HydrophobicContact CG2-CB 3.99Å; V118-M145 HydrophobicContact CG2-CB 4.05Å |
| 119 | P | 90.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 64.4 Ų | 64.4 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | trans | -57.2 | 134.6 | -179.7 | -25.7 | 34 | 0 | 0 | 0 | 112.9 | G121 Q122 | P119-G121 PolarHBondContact O-N 3.22Å; P119-G121 VanDerWaalsContact O-N 3.16Å; P119-Q122 WeakPolarHBondContact O-CB 3.36Å; P119-Q122 PolarHBondContact O-N 2.96Å | ||
| 120 | V | 89.3 | Confident | 92.3 | Very high | 106 Ų | 106 | 65.2 Ų | 65.2 | 64% | 0.642 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.8 | 177.8 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | V118 Q122 W123 E124 | V118-V120 PolarHBondContact O-N 2.82Å; V120-Q122 PolarHBondContact O-N 3.27Å; V120-Q122 VanDerWaalsContact O-N 3.09Å; V120-W123 WeakPolarHBondContact O-CB 3.3Å; V120-W123 PolarHBondContact O-N 3.22Å; V120-E124 PolarHBondContact O-N 2.95Å |
| 121 | G | 91.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 28% | 0.278 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.9 | -22.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P119 W123 E124 S125 | P119-G121 PolarHBondContact O-N 3.22Å; P119-G121 VanDerWaalsContact O-N 3.16Å; G121-W123 VanDerWaalsContact C-N 3.33Å; G121-E124 PolarHBondContact O-N 3.43Å; G121-S125 VanDerWaalsContact O-CB 3.24Å; G121-S125 WeakPolarHBondContact O-CB 3.48Å; G121-S125 PolarHBondContact O-N 2.95Å; G121-S125 PolarHBondContact O-OG 3.34Å |
| 122 | Q | 89.8 | Confident | 92.1 | Very high | 59 Ų | 59 | 69.6 Ų | 69.6 | 28% | 0.276 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 173.1 | -65.8 | -66 | -35.2 | 0 | 0 | 111.9 | V118 P119 V120 G126 | V118-Q122 HydrophobicContact CG1-CB 4.35Å; V118-Q122 HydrophobicContact CG1-CG 4.2Å; P119-Q122 WeakPolarHBondContact O-CB 3.36Å; P119-Q122 PolarHBondContact O-N 2.96Å; V120-Q122 PolarHBondContact O-N 3.27Å; V120-Q122 VanDerWaalsContact O-N 3.09Å; Q122-G126 PolarHBondContact O-N 3.38Å |
| 123 | W | 90.8 | Very high | 92 | Very high | 79 Ų | 79 | 74.3 Ų | 74.3 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.7 | -45.6 | 175.1 | -72.3 | 91.2 | 0 | 0 | 0 | 111.3 | V120 G121 G126 Q127 I136 F137 V141 | V120-W123 WeakPolarHBondContact O-CB 3.3Å; V120-W123 PolarHBondContact O-N 3.22Å; G121-W123 VanDerWaalsContact C-N 3.33Å; W123-G126 PolarHBondContact O-N 2.98Å; W123-Q127 VanDerWaalsContact O-CG 3.32Å; W123-Q127 WeakPolarHBondContact O-CG 3.42Å; W123-Q127 PolarHBondContact O-N 3.46Å; W123-I136 HydrophobicContact CD2-CG2 4.14Å; W123-I136 HydrophobicContact CE3-CB 4.42Å; W123-I136 HydrophobicContact CE3-CG2 3.7Å; W123-I136 HydrophobicContact CZ3-CG2 4.16Å; W123-F137 HydrophobicContact CH2-CB 4.07Å; W123-F137 HydrophobicContact CH2-CD2 4Å; W123-F137 HydrophobicContact CZ2-CD2 4.11Å; W123-V141 HydrophobicContact CD2-CG2 4Å; W123-V141 HydrophobicContact CG-CG2 4.3Å; W123-V141 HydrophobicContact CZ2-CB 4.26Å; W123-V141 HydrophobicContact CZ2-CG1 3.98Å; W123-V141 HydrophobicContact CZ2-CG2 3.88Å |
| 124 | E | 92.3 | Very high | 92 | Very high | 123 Ų | 123 | 75.7 Ų | 75.7 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.2 | -42.8 | -179.7 | -65.4 | 172.1 | 175.5 | 0 | 0 | 111.8 | V120 G121 G126 Q127 A128 | V120-E124 PolarHBondContact O-N 2.95Å; G121-E124 PolarHBondContact O-N 3.43Å; E124-G126 PolarHBondContact O-N 3.21Å; E124-Q127 PolarHBondContact O-N 2.96Å; E124-A128 PolarHBondContact O-N 3.37Å |
| 125 | S | 92 | Very high | 91.9 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | G121 Q127 A128 L129 | G121-S125 VanDerWaalsContact O-CB 3.24Å; G121-S125 WeakPolarHBondContact O-CB 3.48Å; G121-S125 PolarHBondContact O-N 2.95Å; G121-S125 PolarHBondContact O-OG 3.34Å; S125-Q127 VanDerWaalsContact C-N 3.33Å; S125-Q127 PolarHBondContact O-N 3.28Å; S125-A128 PolarHBondContact O-N 2.86Å; S125-L129 WeakPolarHBondContact O-CG 3.43Å; S125-L129 PolarHBondContact O-N 2.87Å |
| 126 | G | 91 | Very high | 92 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q122 W123 E124 L129 G130 L131 | Q122-G126 PolarHBondContact O-N 3.38Å; W123-G126 PolarHBondContact O-N 2.98Å; E124-G126 PolarHBondContact O-N 3.21Å; G126-L129 PolarHBondContact O-N 2.82Å; G126-G130 PolarHBondContact O-N 2.92Å; G126-L131 VanDerWaalsContact O-CB 3.31Å; G126-L131 WeakPolarHBondContact O-CB 3.3Å; G126-L131 PolarHBondContact O-N 3.29Å |
| 127 | Q | 91.9 | Very high | 92 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 175.6 | -72.4 | 174.9 | 9.1 | 0 | 0 | 112.1 | W123 E124 S125 L129 G130 I136 | W123-Q127 VanDerWaalsContact O-CG 3.32Å; W123-Q127 WeakPolarHBondContact O-CG 3.42Å; W123-Q127 PolarHBondContact O-N 3.46Å; E124-Q127 PolarHBondContact O-N 2.96Å; S125-Q127 VanDerWaalsContact C-N 3.33Å; S125-Q127 PolarHBondContact O-N 3.28Å; Q127-L129 PolarHBondContact O-N 3.43Å; Q127-G130 PolarHBondContact O-N 3.27Å; Q127-I136 HydrophobicContact CG-CD1 3.71Å |
| 128 | A | 93.9 | Very high | 92.2 | Very high | 90 Ų | 90 | 72.1 Ų | 72.1 | 74% | 0.744 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63 | -29.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E124 S125 G130 | E124-A128 PolarHBondContact O-N 3.37Å; S125-A128 PolarHBondContact O-N 2.86Å; A128-G130 PolarHBondContact O-N 3.39Å |
| 129 | L | 93.6 | Very high | 92.2 | Very high | 139 Ų | 139 | 81.4 Ų | 81.4 | 73% | 0.728 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 3.4 | 172.1 | -65.5 | 175.5 | 0 | 0 | 0 | 113.7 | S125 G126 Q127 L131 | S125-L129 WeakPolarHBondContact O-CG 3.43Å; S125-L129 PolarHBondContact O-N 2.87Å; G126-L129 PolarHBondContact O-N 2.82Å; Q127-L129 PolarHBondContact O-N 3.43Å; L129-L131 VanDerWaalsContact C-N 3.28Å; L129-L131 HydrophobicContact CB-CD1 4.49Å; L129-L131 HydrophobicContact CB-CG 4.21Å; L129-L131 PolarHBondContact O-N 2.87Å |
| 130 | G | 93.3 | Very high | 92.2 | Very high | 69 Ų | 69 | 79.7 Ų | 79.7 | 71% | 0.711 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 17.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G126 Q127 A128 | G126-G130 PolarHBondContact O-N 2.92Å; Q127-G130 PolarHBondContact O-N 3.27Å; A128-G130 PolarHBondContact O-N 3.39Å |
| 131 | L | 92.8 | Very high | 92.4 | Very high | 67 Ų | 67 | 74.7 Ų | 74.7 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | trans | -73.1 | 144.6 | 179.1 | -61.2 | 175 | 0 | 0 | 0 | 111.3 | G126 L129 A135 I136 L140 | G126-L131 VanDerWaalsContact O-CB 3.31Å; G126-L131 WeakPolarHBondContact O-CB 3.3Å; G126-L131 PolarHBondContact O-N 3.29Å; L129-L131 VanDerWaalsContact C-N 3.28Å; L129-L131 HydrophobicContact CB-CD1 4.49Å; L129-L131 HydrophobicContact CB-CG 4.21Å; L129-L131 PolarHBondContact O-N 2.87Å; L131-A135 HydrophobicContact CB-CB 4.44Å; L131-I136 HydrophobicContact CB-CD1 4.24Å; L131-I136 HydrophobicContact CB-CG1 3.68Å; L131-I136 WeakPolarHBondContact O-CD1 3.27Å; L131-L140 HydrophobicContact CD1-CD1 4.1Å | ||
| 132 | S | 94 | Very high | 92.4 | Very high | 67 Ų | 67 | 75.8 Ų | 75.8 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | trans | -67.7 | 152.3 | 173.9 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | S134 A135 I136 | S132-S134 PolarHBondContact O-N 3.23Å; S132-S134 VanDerWaalsContact O-N 3.15Å; S132-S134 PolarHBondContact OG-OG 3.47Å; S132-A135 WeakPolarHBondContact O-CB 3.35Å; S132-A135 PolarHBondContact O-N 3.46Å; S132-A135 WeakPolarHBondContact OG-CB 3.3Å; S132-A135 PolarHBondContact OG-N 3.39Å; S132-I136 WeakPolarHBondContact O-CG1 3.26Å; S132-I136 PolarHBondContact O-N 2.91Å | ||
| 133 | K | 91.2 | Very high | 92.4 | Very high | 154 Ų | 154 | 75.6 Ų | 75.6 | 67% | 0.67 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -54.9 | -36.7 | -179.5 | -66.3 | -175.3 | -179.8 | -176.9 | 0 | 113.2 | F137 | K133-F137 WeakPolarHBondContact O-CB 3.29Å; K133-F137 PolarHBondContact O-N 3.2Å |
| 134 | S | 92.7 | Very high | 92.5 | Very high | 72 Ų | 72 | 73.7 Ų | 73.7 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69 | -42.6 | 175.8 | 51 | 0 | 0 | 0 | 0 | 111.8 | S132 I136 F137 F138 | S132-S134 PolarHBondContact O-N 3.23Å; S132-S134 VanDerWaalsContact O-N 3.15Å; S132-S134 PolarHBondContact OG-OG 3.47Å; S134-I136 VanDerWaalsContact C-N 3.35Å; S134-I136 PolarHBondContact O-N 2.87Å; S134-F137 PolarHBondContact O-N 2.89Å; S134-F138 VanDerWaalsContact O-CD2 3.32Å; S134-F138 WeakPolarHBondContact O-CD2 3.39Å; S134-F138 PolarHBondContact O-N 3.41Å |
| 135 | A | 92.7 | Very high | 92.5 | Very high | 22 Ų | 22 | 68.6 Ų | 68.6 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L131 S132 R139 | L131-A135 HydrophobicContact CB-CB 4.44Å; S132-A135 WeakPolarHBondContact O-CB 3.35Å; S132-A135 PolarHBondContact O-N 3.46Å; S132-A135 WeakPolarHBondContact OG-CB 3.3Å; S132-A135 PolarHBondContact OG-N 3.39Å; A135-R139 WeakPolarHBondContact O-CB 3.49Å; A135-R139 WeakPolarHBondContact O-CG 3.4Å; A135-R139 PolarHBondContact O-N 3.42Å |
| 136 | I | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 175.7 | -61.6 | 170.7 | 0 | 0 | 0 | 110.3 | W123 Q127 L131 S132 S134 L140 V141 | W123-I136 HydrophobicContact CD2-CG2 4.14Å; W123-I136 HydrophobicContact CE3-CB 4.42Å; W123-I136 HydrophobicContact CE3-CG2 3.7Å; W123-I136 HydrophobicContact CZ3-CG2 4.16Å; Q127-I136 HydrophobicContact CG-CD1 3.71Å; L131-I136 HydrophobicContact CB-CD1 4.24Å; L131-I136 HydrophobicContact CB-CG1 3.68Å; L131-I136 WeakPolarHBondContact O-CD1 3.27Å; S132-I136 WeakPolarHBondContact O-CG1 3.26Å; S132-I136 PolarHBondContact O-N 2.91Å; S134-I136 VanDerWaalsContact C-N 3.35Å; S134-I136 PolarHBondContact O-N 2.87Å; I136-L140 WeakPolarHBondContact O-CA 3.5Å; I136-L140 WeakPolarHBondContact O-CB 3.23Å; I136-L140 PolarHBondContact O-N 2.65Å; I136-V141 HydrophobicContact CG2-CG2 4.16Å; I136-V141 PolarHBondContact O-N 3.42Å; I136-V141 VanDerWaalsContact O-N 3.14Å |
| 137 | F | 93 | Very high | 92.4 | Very high | 60 Ų | 60 | 71.7 Ų | 71.7 | 26% | 0.263 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -61.7 | -56.2 | -179.9 | -178.6 | -102.1 | 0 | 0 | 0 | 112.1 | L115 W123 K133 S134 R139 V141 M142 | L115-F137 HydrophobicContact CD1-CE2 4.15Å; W123-F137 HydrophobicContact CH2-CB 4.07Å; W123-F137 HydrophobicContact CH2-CD2 4Å; W123-F137 HydrophobicContact CZ2-CD2 4.11Å; K133-F137 WeakPolarHBondContact O-CB 3.29Å; K133-F137 PolarHBondContact O-N 3.2Å; S134-F137 PolarHBondContact O-N 2.89Å; F137-R139 PolarHBondContact O-N 2.82Å; F137-V141 HydrophobicContact CD2-CB 4.35Å; F137-V141 HydrophobicContact CD2-CG1 4.31Å; F137-V141 PolarHBondContact O-N 2.8Å; F137-M142 HydrophobicContact CD1-CB 4.44Å; F137-M142 HydrophobicContact CE1-CB 4.16Å; F137-M142 HydrophobicContact CE1-CG 4.42Å; F137-M142 HydrophobicContact CE1-SD 4Å; F137-M142 HydrophobicContact CZ-CB 4.27Å; F137-M142 WeakPolarHBondContact O-CB 3.25Å; F137-M142 PolarHBondContact O-N 3.49Å |
| 138 | F | 94.3 | Very high | 92.4 | Very high | 129 Ų | 129 | 70.1 Ų | 70.1 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | I | π-helix | trans | -72.3 | -30 | -173.6 | -77.3 | -73.7 | 0 | 0 | 0 | 113.8 | S134 M142 | S134-F138 VanDerWaalsContact O-CD2 3.32Å; S134-F138 WeakPolarHBondContact O-CD2 3.39Å; S134-F138 PolarHBondContact O-N 3.41Å; F138-M142 HydrophobicContact CD1-SD 3.48Å; F138-M142 WeakPolarHBondContact CD1-SD 3.36Å; F138-M142 HydrophobicContact CE1-SD 3.72Å |
| 139 | R | 91.3 | Very high | 92.4 | Very high | 200 Ų | 200 | 65.8 Ų | 65.8 | 76% | 0.755 | 34% | 0.338 | S | S | * | . | I | π-helix | trans | -97.3 | -33.1 | -175.3 | -60.1 | -177.1 | 177.7 | -159.6 | -0.4 | 114.2 | A135 F137 | A135-R139 WeakPolarHBondContact O-CB 3.49Å; A135-R139 WeakPolarHBondContact O-CG 3.4Å; A135-R139 PolarHBondContact O-N 3.42Å; F137-R139 PolarHBondContact O-N 2.82Å |
| 140 | L | 91.8 | Very high | 92.3 | Very high | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -105.7 | -55 | -177.4 | -69.9 | 89.3 | 0 | 0 | 0 | 111.7 | L131 I136 Q144 | L131-L140 HydrophobicContact CD1-CD1 4.1Å; I136-L140 WeakPolarHBondContact O-CA 3.5Å; I136-L140 WeakPolarHBondContact O-CB 3.23Å; I136-L140 PolarHBondContact O-N 2.65Å; L140-Q144 WeakPolarHBondContact O-CG 3.49Å; L140-Q144 PolarHBondContact O-NE2 3Å |
| 141 | V | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -81.6 | -48.4 | -165.7 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | L115 V118 W123 I136 F137 Q144 M145 | L115-V141 HydrophobicContact CD1-CG1 3.56Å; V118-V141 HydrophobicContact CB-CG1 4.38Å; V118-V141 HydrophobicContact CG1-CG1 4.17Å; V118-V141 HydrophobicContact CG2-CG1 4.34Å; W123-V141 HydrophobicContact CD2-CG2 4Å; W123-V141 HydrophobicContact CG-CG2 4.3Å; W123-V141 HydrophobicContact CZ2-CB 4.26Å; W123-V141 HydrophobicContact CZ2-CG1 3.98Å; W123-V141 HydrophobicContact CZ2-CG2 3.88Å; I136-V141 HydrophobicContact CG2-CG2 4.16Å; I136-V141 PolarHBondContact O-N 3.42Å; I136-V141 VanDerWaalsContact O-N 3.14Å; F137-V141 HydrophobicContact CD2-CB 4.35Å; F137-V141 HydrophobicContact CD2-CG1 4.31Å; F137-V141 PolarHBondContact O-N 2.8Å; V141-Q144 PolarHBondContact O-N 3.04Å; V141-Q144 VanDerWaalsContact O-N 3.17Å; V141-M145 WeakPolarHBondContact O-CB 3.24Å; V141-M145 PolarHBondContact O-N 3.43Å |
| 142 | M | 91.6 | Very high | 92.3 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 25% | 0.251 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | -176.4 | -179.5 | 177 | -179.9 | 0 | 0 | 112.6 | F137 F138 Q144 M145 W146 | F137-M142 HydrophobicContact CD1-CB 4.44Å; F137-M142 HydrophobicContact CE1-CB 4.16Å; F137-M142 HydrophobicContact CE1-CG 4.42Å; F137-M142 HydrophobicContact CE1-SD 4Å; F137-M142 HydrophobicContact CZ-CB 4.27Å; F137-M142 WeakPolarHBondContact O-CB 3.25Å; F137-M142 PolarHBondContact O-N 3.49Å; F138-M142 HydrophobicContact CD1-SD 3.48Å; F138-M142 WeakPolarHBondContact CD1-SD 3.36Å; F138-M142 HydrophobicContact CE1-SD 3.72Å; M142-Q144 VanDerWaalsContact C-N 3.31Å; M142-Q144 PolarHBondContact O-N 3.14Å; M142-M145 HydrophobicContact CG-CE 4.22Å; M142-M145 PolarHBondContact O-N 3.43Å; M142-W146 VanDerWaalsContact CE-NE1 3.29Å; M142-W146 PolarHBondContact O-N 2.77Å |
| 143 | P | 90.9 | Very high | 92.3 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -35.6 | 175.3 | -24.8 | 35.9 | 0 | 0 | 0 | 113.7 | R147 | P143-R147 WeakPolarHBondContact O-CG 3.3Å |
| 144 | Q | 92.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -74.2 | -44.6 | 177.3 | -67.7 | 175.9 | 61.8 | 0 | 0 | 111 | V118 L140 V141 M142 W146 R147 H148 | V118-Q144 HydrophobicContact CG1-CB 4.24Å; V118-Q144 HydrophobicContact CG2-CB 3.99Å; L140-Q144 WeakPolarHBondContact O-CG 3.49Å; L140-Q144 PolarHBondContact O-NE2 3Å; V141-Q144 PolarHBondContact O-N 3.04Å; V141-Q144 VanDerWaalsContact O-N 3.17Å; M142-Q144 VanDerWaalsContact C-N 3.31Å; M142-Q144 PolarHBondContact O-N 3.14Å; Q144-W146 VanDerWaalsContact C-N 3.3Å; Q144-W146 PolarHBondContact O-N 3.3Å; Q144-R147 WeakPolarHBondContact O-CB 3.24Å; Q144-R147 PolarHBondContact O-N 3.26Å; Q144-R147 VanDerWaalsContact O-N 3.12Å; Q144-H148 PolarHBondContact O-CD2 3.29Å; Q144-H148 VanDerWaalsContact O-CD2 3.27Å; Q144-H148 PolarHBondContact O-N 2.91Å |
| 145 | M | 92.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.4 | -45.5 | 174.1 | 177.6 | -167.6 | 76.9 | 0 | 0 | 111.4 | A114 L115 V118 V141 M142 R147 H148 A149 | A114-M145 HydrophobicContact CB-CG 4.03Å; A114-M145 WeakPolarHBondContact CB-O 3.07Å; L115-M145 HydrophobicContact CB-CG 4.12Å; L115-M145 HydrophobicContact CB-SD 3.83Å; L115-M145 HydrophobicContact CD1-CG 4.41Å; L115-M145 HydrophobicContact CD1-SD 3.84Å; L115-M145 HydrophobicContact CG-SD 4.32Å; V118-M145 HydrophobicContact CG2-CB 4.05Å; V141-M145 WeakPolarHBondContact O-CB 3.24Å; V141-M145 PolarHBondContact O-N 3.43Å; M142-M145 HydrophobicContact CG-CE 4.22Å; M142-M145 PolarHBondContact O-N 3.43Å; M145-R147 VanDerWaalsContact C-N 3.3Å; M145-R147 PolarHBondContact O-N 2.9Å; M145-H148 PolarHBondContact O-N 3.49Å; M145-H148 VanDerWaalsContact O-N 3.17Å; M145-A149 WeakPolarHBondContact O-CB 3.37Å; M145-A149 PolarHBondContact O-N 2.86Å |
| 146 | W | 91.5 | Very high | 92.6 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 179.1 | -85.9 | 115.1 | 0 | 0 | 0 | 112.9 | L14 L111 M142 Q144 H148 A149 L150 L153 | L14-W146 HydrophobicContact CD2-CH2 4.37Å; L111-W146 HydrophobicContact CD2-CH2 4.19Å; L111-W146 HydrophobicContact CD2-CZ3 4.19Å; M142-W146 VanDerWaalsContact CE-NE1 3.29Å; M142-W146 PolarHBondContact O-N 2.77Å; Q144-W146 VanDerWaalsContact C-N 3.3Å; Q144-W146 PolarHBondContact O-N 3.3Å; W146-H148 VanDerWaalsContact C-N 3.33Å; W146-H148 PolarHBondContact O-N 3.18Å; W146-A149 HydrophobicContact CE3-CB 4.48Å; W146-A149 PolarHBondContact O-N 3.12Å; W146-L150 WeakPolarHBondContact O-CB 3.36Å; W146-L150 VanDerWaalsContact O-CG 3.23Å; W146-L150 WeakPolarHBondContact O-CG 3.22Å; W146-L150 PolarHBondContact O-N 3.1Å; W146-L153 HydrophobicContact CE3-CD1 4.28Å; W146-L153 HydrophobicContact CH2-CD1 4.45Å; W146-L153 HydrophobicContact CZ3-CD1 3.56Å |
| 147 | R | 89.7 | Confident | 92.7 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.8 | -65.9 | 173.2 | -176.6 | -175.3 | 0.8 | 111.5 | P143 Q144 M145 P151 A218 | P143-R147 WeakPolarHBondContact O-CG 3.3Å; Q144-R147 WeakPolarHBondContact O-CB 3.24Å; Q144-R147 PolarHBondContact O-N 3.26Å; Q144-R147 VanDerWaalsContact O-N 3.12Å; M145-R147 VanDerWaalsContact C-N 3.3Å; M145-R147 PolarHBondContact O-N 2.9Å; R147-P151 WeakPolarHBondContact O-CD 3.28Å; R147-A218 WeakPolarHBondContact CD-O 3.35Å; R147-A218 HydrophobicContact CG-CB 4.25Å; R147-A218 PolarHBondContact NE-O 3Å |
| 148 | H | 90.7 | Very high | 92.8 | Very high | 71 Ų | 71 | 51 Ų | 51 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.2 | -30.5 | 175.6 | -64.1 | -52.2 | 0 | 0 | 0 | 113.4 | A114 A117 Q144 M145 W146 | A114-H148 HydrophobicContact CB-CB 3.88Å; A117-H148 HydrophobicContact CB-CB 4.38Å; Q144-H148 PolarHBondContact O-CD2 3.29Å; Q144-H148 VanDerWaalsContact O-CD2 3.27Å; Q144-H148 PolarHBondContact O-N 2.91Å; M145-H148 PolarHBondContact O-N 3.49Å; M145-H148 VanDerWaalsContact O-N 3.17Å; W146-H148 VanDerWaalsContact C-N 3.33Å; W146-H148 PolarHBondContact O-N 3.18Å |
| 149 | A | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.6 | -33.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | L111 A114 M145 W146 G152 L153 | L111-A149 HydrophobicContact CD2-CB 3.99Å; A114-A149 HydrophobicContact CB-CB 3.64Å; M145-A149 WeakPolarHBondContact O-CB 3.37Å; M145-A149 PolarHBondContact O-N 2.86Å; W146-A149 HydrophobicContact CE3-CB 4.48Å; W146-A149 PolarHBondContact O-N 3.12Å; A149-G152 PolarHBondContact O-N 3.02Å; A149-G152 VanDerWaalsContact O-N 3.08Å; A149-L153 HydrophobicContact CB-CD1 4.11Å; A149-L153 HydrophobicContact CB-CG 4.42Å; A149-L153 WeakPolarHBondContact O-CG 3.27Å; A149-L153 PolarHBondContact O-N 2.97Å |
| 150 | L | 92.4 | Very high | 93 | Very high | 50 Ų | 50 | 38 Ų | 38 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -53.1 | -47.4 | -172.6 | -85.9 | 169.4 | 0 | 0 | 0 | 114.2 | W146 G152 L153 G154 I214 A218 | W146-L150 WeakPolarHBondContact O-CB 3.36Å; W146-L150 VanDerWaalsContact O-CG 3.23Å; W146-L150 WeakPolarHBondContact O-CG 3.22Å; W146-L150 PolarHBondContact O-N 3.1Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-G152 PolarHBondContact O-N 3.37Å; L150-L153 PolarHBondContact O-N 3.32Å; L150-G154 PolarHBondContact O-N 3.37Å; L150-I214 HydrophobicContact CD1-CG2 4.41Å; L150-I214 HydrophobicContact CD2-CG2 4.22Å; L150-A218 HydrophobicContact CD1-CB 3.58Å |
| 151 | P | 91.1 | Very high | 93.1 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.9 | -24.9 | 34.5 | 0 | 0 | 0 | 112.8 | R147 G154 N155 | R147-P151 WeakPolarHBondContact O-CD 3.28Å; P151-G154 PolarHBondContact O-N 2.71Å; P151-N155 PolarHBondContact O-N 2.95Å |
| 152 | G | 93.7 | Very high | 93.2 | Very high | 25 Ų | 25 | 42 Ų | 42 | 26% | 0.258 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.3 | -45.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A149 L150 G154 N155 Q156 | A149-G152 PolarHBondContact O-N 3.02Å; A149-G152 VanDerWaalsContact O-N 3.08Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-G152 PolarHBondContact O-N 3.37Å; G152-G154 VanDerWaalsContact C-N 3.3Å; G152-G154 PolarHBondContact O-N 3.5Å; G152-N155 PolarHBondContact O-N 2.81Å; G152-Q156 WeakPolarHBondContact O-CG 3.49Å; G152-Q156 PolarHBondContact O-N 3.32Å |
| 153 | L | 95.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.4 | -65.9 | 177.7 | 0 | 0 | 0 | 111.5 | A107 T110 L111 W146 A149 L150 N155 Q156 W157 | A107-L153 HydrophobicContact CB-CD2 3.61Å; T110-L153 HydrophobicContact CG2-CD2 4.16Å; T110-L153 HydrophobicContact CG2-CG 4.15Å; L111-L153 HydrophobicContact CD2-CD1 4.22Å; W146-L153 HydrophobicContact CE3-CD1 4.28Å; W146-L153 HydrophobicContact CH2-CD1 4.45Å; W146-L153 HydrophobicContact CZ3-CD1 3.56Å; A149-L153 HydrophobicContact CB-CD1 4.11Å; A149-L153 HydrophobicContact CB-CG 4.42Å; A149-L153 WeakPolarHBondContact O-CG 3.27Å; A149-L153 PolarHBondContact O-N 2.97Å; L150-L153 PolarHBondContact O-N 3.32Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.89Å; L153-W157 PolarHBondContact O-N 2.96Å |
| 154 | G | 94.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L150 P151 G152 W157 L158 L211 | L150-G154 PolarHBondContact O-N 3.37Å; P151-G154 PolarHBondContact O-N 2.71Å; G152-G154 VanDerWaalsContact C-N 3.3Å; G152-G154 PolarHBondContact O-N 3.5Å; G154-W157 WeakPolarHBondContact O-CB 3.31Å; G154-W157 PolarHBondContact O-N 2.97Å; G154-L158 WeakPolarHBondContact O-CG 3.28Å; G154-L158 PolarHBondContact O-N 3.18Å; G154-L211 VanDerWaalsContact O-CD1 3.29Å; G154-L211 WeakPolarHBondContact O-CD1 3.43Å |
| 155 | N | 93.7 | Very high | 93.5 | Very high | 93 Ų | 93 | 37.5 Ų | 37.5 | 50% | 0.497 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 173.8 | -172.4 | 65.6 | 0 | 0 | 0 | 111.9 | P151 G152 L153 W157 L158 V159 | P151-N155 PolarHBondContact O-N 2.95Å; G152-N155 PolarHBondContact O-N 2.81Å; L153-N155 VanDerWaalsContact C-N 3.35Å; N155-W157 VanDerWaalsContact C-N 3.28Å; N155-W157 PolarHBondContact O-N 3.37Å; N155-L158 PolarHBondContact O-N 3.01Å; N155-L158 VanDerWaalsContact O-N 3.13Å; N155-V159 PolarHBondContact O-N 3.49Å |
| 156 | Q | 95.2 | Very high | 93.6 | Very high | 33 Ų | 33 | 39 Ų | 39 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -33.7 | 176.2 | -65.3 | -56 | -32.2 | 0 | 0 | 112.5 | Y103 G152 L153 L158 V159 L160 | Y103-Q156 HydrophobicContact CD2-CB 4.04Å; Y103-Q156 HydrophobicContact CE2-CB 3.57Å; G152-Q156 WeakPolarHBondContact O-CG 3.49Å; G152-Q156 PolarHBondContact O-N 3.32Å; L153-Q156 PolarHBondContact O-N 2.89Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3.01Å; Q156-V159 PolarHBondContact O-N 3.31Å; Q156-L160 WeakPolarHBondContact O-CB 3.47Å; Q156-L160 PolarHBondContact O-N 3.43Å |
| 157 | W | 94.9 | Very high | 93.7 | Very high | 37 Ų | 37 | 36 Ų | 36 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 172.2 | 164.6 | -107.2 | 0 | 0 | 0 | 112.5 | A6 V7 L10 L153 G154 N155 V159 L160 L161 S207 | A6-W157 HydrophobicContact CB-CH2 3.73Å; A6-W157 HydrophobicContact CB-CZ3 3.82Å; V7-W157 HydrophobicContact CG2-CH2 4.03Å; L10-W157 HydrophobicContact CB-CE3 4.06Å; L10-W157 HydrophobicContact CB-CZ3 3.82Å; L10-W157 HydrophobicContact CD1-CE3 3.75Å; L10-W157 HydrophobicContact CD1-CZ3 4.36Å; L10-W157 HydrophobicContact CD2-CE3 3.94Å; L10-W157 HydrophobicContact CD2-CZ3 3.94Å; L10-W157 HydrophobicContact CG-CE3 4.12Å; L10-W157 HydrophobicContact CG-CZ3 4.25Å; L153-W157 PolarHBondContact O-N 2.96Å; G154-W157 WeakPolarHBondContact O-CB 3.31Å; G154-W157 PolarHBondContact O-N 2.97Å; N155-W157 VanDerWaalsContact C-N 3.28Å; N155-W157 PolarHBondContact O-N 3.37Å; W157-V159 VanDerWaalsContact C-N 3.3Å; W157-V159 PolarHBondContact O-N 3.35Å; W157-L160 HydrophobicContact CE3-CD2 4.04Å; W157-L160 HydrophobicContact CZ3-CD2 4.21Å; W157-L160 PolarHBondContact O-N 2.87Å; W157-L161 HydrophobicContact CD2-CD1 4.24Å; W157-L161 HydrophobicContact CD2-CG 4.19Å; W157-L161 HydrophobicContact CH2-CD2 3.94Å; W157-L161 HydrophobicContact CH2-CG 4.18Å; W157-L161 HydrophobicContact CZ2-CD1 3.75Å; W157-L161 HydrophobicContact CZ2-CD2 3.74Å; W157-L161 HydrophobicContact CZ2-CG 3.77Å; W157-L161 VanDerWaalsContact NE1-CD1 3.33Å; W157-L161 PolarHBondContact O-N 3.29Å; W157-S207 PolarHBondContact NE1-OG 3.31Å |
| 158 | L | 95 | Very high | 93.8 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -33.4 | 178 | -59.3 | 177 | 0 | 0 | 0 | 112.2 | G154 N155 Q156 L161 K162 T204 Q208 L211 | G154-L158 WeakPolarHBondContact O-CG 3.28Å; G154-L158 PolarHBondContact O-N 3.18Å; N155-L158 PolarHBondContact O-N 3.01Å; N155-L158 VanDerWaalsContact O-N 3.13Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3.01Å; L158-L161 HydrophobicContact CD2-CD1 4.49Å; L158-K162 WeakPolarHBondContact O-CG 3.38Å; L158-K162 PolarHBondContact O-N 3.13Å; L158-T204 HydrophobicContact CD2-CG2 4.22Å; L158-Q208 HydrophobicContact CD1-CG 3.51Å; L158-Q208 HydrophobicContact CD2-CG 4.08Å; L158-Q208 HydrophobicContact CG-CG 4.44Å; L158-L211 HydrophobicContact CD2-CD1 4.26Å; L158-L211 HydrophobicContact CG-CD1 4.26Å |
| 159 | V | 95.2 | Very high | 93.8 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.5 | -51.5 | 172.7 | 176 | 0 | 0 | 0 | 0 | 109.6 | N155 Q156 W157 L161 K162 D163 | N155-V159 PolarHBondContact O-N 3.49Å; Q156-V159 PolarHBondContact O-N 3.31Å; W157-V159 VanDerWaalsContact C-N 3.3Å; W157-V159 PolarHBondContact O-N 3.35Å; V159-L161 VanDerWaalsContact C-N 3.27Å; V159-L161 PolarHBondContact O-N 2.99Å; V159-K162 WeakPolarHBondContact O-CA 3.34Å; V159-K162 WeakPolarHBondContact O-CB 3.42Å; V159-K162 PolarHBondContact O-N 3.38Å; V159-D163 WeakPolarHBondContact CG1-OD2 3.23Å; V159-D163 PolarHBondContact O-N 2.95Å |
| 160 | L | 95.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53 | -42.6 | 177.2 | -178.4 | 65 | 0 | 0 | 0 | 112.7 | A9 L10 L99 Y103 Q156 W157 K162 D163 T164 | A9-L160 HydrophobicContact CB-CD1 4.2Å; A9-L160 HydrophobicContact CB-CD2 4.31Å; L10-L160 HydrophobicContact CB-CD2 3.99Å; L10-L160 HydrophobicContact CD1-CD2 4.49Å; L99-L160 HydrophobicContact CB-CD1 3.72Å; L99-L160 HydrophobicContact CD1-CD1 4.29Å; L99-L160 HydrophobicContact CD2-CD1 4.42Å; L99-L160 HydrophobicContact CG-CD1 4.38Å; Y103-L160 HydrophobicContact CD2-CB 4.16Å; Y103-L160 HydrophobicContact CD2-CD2 3.94Å; Y103-L160 HydrophobicContact CD2-CG 4.5Å; Y103-L160 HydrophobicContact CE2-CD2 4.46Å; Y103-L160 HydrophobicContact CG-CD2 4.27Å; Q156-L160 WeakPolarHBondContact O-CB 3.47Å; Q156-L160 PolarHBondContact O-N 3.43Å; W157-L160 HydrophobicContact CE3-CD2 4.04Å; W157-L160 HydrophobicContact CZ3-CD2 4.21Å; W157-L160 PolarHBondContact O-N 2.87Å; L160-K162 VanDerWaalsContact C-N 3.29Å; L160-K162 PolarHBondContact O-N 2.8Å; L160-D163 PolarHBondContact O-N 2.94Å; L160-T164 VanDerWaalsContact O-CG2 3.29Å; L160-T164 WeakPolarHBondContact O-CG2 3.46Å; L160-T164 PolarHBondContact O-N 3.08Å; L160-T164 VanDerWaalsContact O-N 3.12Å |
| 161 | L | 94.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -38.7 | 176.3 | -84.4 | 173.4 | 0 | 0 | 0 | 112.6 | A6 W157 L158 V159 T164 I203 S207 | A6-L161 HydrophobicContact CB-CD2 3.7Å; W157-L161 HydrophobicContact CD2-CD1 4.24Å; W157-L161 HydrophobicContact CD2-CG 4.19Å; W157-L161 HydrophobicContact CH2-CD2 3.94Å; W157-L161 HydrophobicContact CH2-CG 4.18Å; W157-L161 HydrophobicContact CZ2-CD1 3.75Å; W157-L161 HydrophobicContact CZ2-CD2 3.74Å; W157-L161 HydrophobicContact CZ2-CG 3.77Å; W157-L161 VanDerWaalsContact NE1-CD1 3.33Å; W157-L161 PolarHBondContact O-N 3.29Å; L158-L161 HydrophobicContact CD2-CD1 4.49Å; V159-L161 VanDerWaalsContact C-N 3.27Å; V159-L161 PolarHBondContact O-N 2.99Å; L161-T164 PolarHBondContact O-OG1 3.5Å; L161-I203 HydrophobicContact CD1-CG2 4.1Å; L161-I203 HydrophobicContact CD2-CG2 4.26Å; L161-S207 WeakPolarHBondContact CD1-OG 3.46Å |
| 162 | K | 93.2 | Very high | 93.6 | Very high | 119 Ų | 119 | 32.5 Ų | 32.5 | 52% | 0.517 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -75.3 | -39.7 | 177.4 | -64.4 | 172.1 | -172.1 | 179.1 | 0 | 111.1 | L158 V159 L160 T164 A165 | L158-K162 WeakPolarHBondContact O-CG 3.38Å; L158-K162 PolarHBondContact O-N 3.13Å; V159-K162 WeakPolarHBondContact O-CA 3.34Å; V159-K162 WeakPolarHBondContact O-CB 3.42Å; V159-K162 PolarHBondContact O-N 3.38Å; L160-K162 VanDerWaalsContact C-N 3.29Å; L160-K162 PolarHBondContact O-N 2.8Å; K162-T164 PolarHBondContact O-N 2.9Å; K162-A165 VanDerWaalsContact O-CB 3.23Å; K162-A165 WeakPolarHBondContact O-CB 3.21Å; K162-A165 PolarHBondContact O-N 3.49Å |
| 163 | D | 94.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -21.4 | 179.5 | -66.5 | -12.1 | 0 | 0 | 0 | 112.7 | L99 V159 L160 A165 L166 | L99-D163 HydrophobicContact CD2-CB 3.83Å; V159-D163 WeakPolarHBondContact CG1-OD2 3.23Å; V159-D163 PolarHBondContact O-N 2.95Å; L160-D163 PolarHBondContact O-N 2.94Å; D163-A165 PolarHBondContact O-N 3.41Å; D163-A165 VanDerWaalsContact O-N 3.1Å; D163-L166 HydrophobicContact CB-CD1 4.31Å; D163-L166 VanDerWaalsContact O-CB 3.24Å; D163-L166 WeakPolarHBondContact O-CB 3.29Å; D163-L166 PolarHBondContact O-N 3.27Å |
| 164 | T | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -53.1 | -30.6 | 169.3 | 67.1 | 0 | 0 | 0 | 0 | 113.5 | T2 L5 A6 L99 L160 L161 K162 L166 V167 | T2-T164 HydrophobicContact CG2-CG2 4.46Å; T2-T164 VanDerWaalsContact CG2-OG1 3.23Å; T2-T164 WeakPolarHBondContact CG2-OG1 3.29Å; L5-T164 HydrophobicContact CD2-CG2 3.89Å; A6-T164 HydrophobicContact CB-CG2 3.88Å; L99-T164 HydrophobicContact CD1-CG2 4.09Å; L160-T164 VanDerWaalsContact O-CG2 3.29Å; L160-T164 WeakPolarHBondContact O-CG2 3.46Å; L160-T164 PolarHBondContact O-N 3.08Å; L160-T164 VanDerWaalsContact O-N 3.12Å; L161-T164 PolarHBondContact O-OG1 3.5Å; K162-T164 PolarHBondContact O-N 2.9Å; T164-L166 PolarHBondContact O-N 3.49Å; T164-V167 WeakPolarHBondContact O-CB 3.42Å; T164-V167 PolarHBondContact O-N 2.94Å; T164-V167 VanDerWaalsContact O-N 3.15Å |
| 165 | A | 93.7 | Very high | 93.1 | Very high | 19 Ų | 19 | 36 Ų | 36 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -64.4 | -27.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K162 D163 V167 S168 M176 | K162-A165 VanDerWaalsContact O-CB 3.23Å; K162-A165 WeakPolarHBondContact O-CB 3.21Å; K162-A165 PolarHBondContact O-N 3.49Å; D163-A165 PolarHBondContact O-N 3.41Å; D163-A165 VanDerWaalsContact O-N 3.1Å; A165-V167 VanDerWaalsContact C-N 3.28Å; A165-V167 PolarHBondContact O-N 3.48Å; A165-S168 VanDerWaalsContact O-CB 3.26Å; A165-S168 WeakPolarHBondContact O-CB 3.38Å; A165-S168 PolarHBondContact O-N 3.34Å; A165-S168 PolarHBondContact O-OG 3.34Å; A165-M176 HydrophobicContact CB-CB 3.97Å; A165-M176 HydrophobicContact CB-CE 4.04Å; A165-M176 HydrophobicContact CB-CG 4.2Å |
| 166 | L | 93.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 33.3 Ų | 33.3 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -68.3 | -31.3 | 176.8 | -58.5 | 176.4 | 0 | 0 | 0 | 111.3 | E47 D163 T164 S168 L169 | E47-L166 HydrophobicContact CB-CD1 3.68Å; D163-L166 HydrophobicContact CB-CD1 4.31Å; D163-L166 VanDerWaalsContact O-CB 3.24Å; D163-L166 WeakPolarHBondContact O-CB 3.29Å; D163-L166 PolarHBondContact O-N 3.27Å; T164-L166 PolarHBondContact O-N 3.49Å; L166-S168 PolarHBondContact O-N 3.43Å; L166-L169 VanDerWaalsContact O-CB 3.23Å; L166-L169 WeakPolarHBondContact O-CB 3.38Å; L166-L169 WeakPolarHBondContact O-CD1 3.43Å; L166-L169 VanDerWaalsContact O-CG 3.26Å; L166-L169 WeakPolarHBondContact O-CG 2.98Å; L166-L169 PolarHBondContact O-N 3.37Å |
| 167 | V | 93.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -69.2 | -16.2 | 180 | -164.3 | 0 | 0 | 0 | 0 | 111.8 | L5 V51 L99 T164 A165 L169 I170 V172 | L5-V167 HydrophobicContact CD2-CB 4.12Å; L5-V167 HydrophobicContact CD2-CG1 4.36Å; L5-V167 HydrophobicContact CD2-CG2 3.98Å; V51-V167 HydrophobicContact CG1-CG2 4.48Å; V51-V167 HydrophobicContact CG2-CG2 4.49Å; L99-V167 HydrophobicContact CD1-CG2 3.62Å; L99-V167 HydrophobicContact CD2-CG2 4.12Å; L99-V167 HydrophobicContact CG-CG2 3.84Å; T164-V167 WeakPolarHBondContact O-CB 3.42Å; T164-V167 PolarHBondContact O-N 2.94Å; T164-V167 VanDerWaalsContact O-N 3.15Å; A165-V167 VanDerWaalsContact C-N 3.28Å; A165-V167 PolarHBondContact O-N 3.48Å; V167-L169 PolarHBondContact O-N 3.27Å; V167-L169 VanDerWaalsContact O-N 3.09Å; V167-I170 HydrophobicContact CG1-CD1 3.69Å; V167-I170 HydrophobicContact CG1-CG1 3.65Å; V167-I170 WeakPolarHBondContact O-CG1 3.46Å; V167-I170 PolarHBondContact O-N 3.41Å; V167-I170 VanDerWaalsContact O-N 3.08Å; V167-V172 HydrophobicContact CB-CB 4.39Å; V167-V172 HydrophobicContact CG1-CB 3.69Å; V167-V172 HydrophobicContact CG1-CG1 4.28Å; V167-V172 HydrophobicContact CG1-CG2 3.4Å; V167-V172 VanDerWaalsContact CG1-CG2 3.4Å; V167-V172 PolarHBondContact O-N 3.1Å |
| 168 | S | 92.3 | Very high | 93 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -55.9 | -24.2 | 167.5 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | A165 L166 I170 S171 D174 K180 | A165-S168 VanDerWaalsContact O-CB 3.26Å; A165-S168 WeakPolarHBondContact O-CB 3.38Å; A165-S168 PolarHBondContact O-N 3.34Å; A165-S168 PolarHBondContact O-OG 3.34Å; L166-S168 PolarHBondContact O-N 3.43Å; S168-I170 VanDerWaalsContact C-N 3.32Å; S168-S171 PolarHBondContact O-N 3.4Å; S168-D174 WeakPolarHBondContact CB-OD1 3.3Å; S168-K180 PolarHBondContact OG-NZ 2.78Å; S168-K180 VanDerWaalsContact OG-NZ 3.15Å |
| 169 | L | 91.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 35.9 Ų | 35.9 | 43% | 0.429 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -71.1 | -27.2 | 179.1 | -64.1 | 170.1 | 0 | 0 | 0 | 113.2 | I48 L166 V167 | I48-L169 HydrophobicContact CD1-CD1 3.22Å; I48-L169 HydrophobicContact CG1-CD1 3.56Å; L166-L169 VanDerWaalsContact O-CB 3.23Å; L166-L169 WeakPolarHBondContact O-CB 3.38Å; L166-L169 WeakPolarHBondContact O-CD1 3.43Å; L166-L169 VanDerWaalsContact O-CG 3.26Å; L166-L169 WeakPolarHBondContact O-CG 2.98Å; L166-L169 PolarHBondContact O-N 3.37Å; V167-L169 PolarHBondContact O-N 3.27Å; V167-L169 VanDerWaalsContact O-N 3.09Å |
| 170 | I | 92.1 | Very high | 93 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -95.2 | 23.1 | 173.3 | 62.9 | 164.7 | 0 | 0 | 0 | 111.1 | V51 L52 Y55 P91 C94 V167 S168 V172 | V51-I170 HydrophobicContact CG1-CD1 3.94Å; V51-I170 HydrophobicContact CG1-CG1 4.15Å; V51-I170 HydrophobicContact CG1-CG2 4.03Å; L52-I170 HydrophobicContact CD2-CG2 3.75Å; Y55-I170 HydrophobicContact CD1-CB 4Å; Y55-I170 HydrophobicContact CD1-CG2 3.74Å; Y55-I170 HydrophobicContact CD2-CB 4.13Å; Y55-I170 HydrophobicContact CD2-CD1 4.06Å; Y55-I170 HydrophobicContact CD2-CG2 4.45Å; Y55-I170 HydrophobicContact CE1-CB 4.38Å; Y55-I170 HydrophobicContact CG-CB 3.85Å; Y55-I170 HydrophobicContact CG-CD1 4.22Å; Y55-I170 HydrophobicContact CG-CG2 3.7Å; P91-I170 HydrophobicContact CB-CD1 4.41Å; P91-I170 HydrophobicContact CB-CG1 4.49Å; P91-I170 WeakPolarHBondContact CB-O 3.27Å; P91-I170 WeakPolarHBondContact O-CD1 3.46Å; C94-I170 HydrophobicContact CB-CD1 4.06Å; V167-I170 HydrophobicContact CG1-CD1 3.69Å; V167-I170 HydrophobicContact CG1-CG1 3.65Å; V167-I170 WeakPolarHBondContact O-CG1 3.46Å; V167-I170 PolarHBondContact O-N 3.41Å; V167-I170 VanDerWaalsContact O-N 3.08Å; S168-I170 VanDerWaalsContact C-N 3.32Å; I170-V172 VanDerWaalsContact C-N 3.28Å; I170-V172 HydrophobicContact CD1-CG2 4.36Å; I170-V172 HydrophobicContact CG1-CG2 4.18Å; I170-V172 PolarHBondContact O-N 3.33Å |
| 171 | S | 90.8 | Very high | 92.9 | Very high | 86 Ų | 86 | 38.3 Ų | 38.3 | 60% | 0.601 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 24.5 | 177.5 | -53.7 | 0 | 0 | 0 | 0 | 115.3 | S168 N173 | S168-S171 PolarHBondContact O-N 3.4Å; S171-N173 PolarHBondContact O-N 3.15Å |
| 172 | V | 89.7 | Confident | 93 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | trans | -69.9 | 126.1 | 166.3 | 172.1 | 0 | 0 | 0 | 0 | 109.1 | L5 P91 V167 I170 D174 L177 | L5-V172 HydrophobicContact CD1-CG1 4.43Å; P91-V172 HydrophobicContact CB-CG2 3.56Å; P91-V172 WeakPolarHBondContact O-CG2 3.23Å; V167-V172 HydrophobicContact CB-CB 4.39Å; V167-V172 HydrophobicContact CG1-CB 3.69Å; V167-V172 HydrophobicContact CG1-CG1 4.28Å; V167-V172 HydrophobicContact CG1-CG2 3.4Å; V167-V172 VanDerWaalsContact CG1-CG2 3.4Å; V167-V172 PolarHBondContact O-N 3.1Å; I170-V172 VanDerWaalsContact C-N 3.28Å; I170-V172 HydrophobicContact CD1-CG2 4.36Å; I170-V172 HydrophobicContact CG1-CG2 4.18Å; I170-V172 PolarHBondContact O-N 3.33Å; V172-D174 PolarHBondContact O-N 2.9Å; V172-L177 WeakPolarHBondContact O-CB 3.46Å; V172-L177 WeakPolarHBondContact O-CD2 3.26Å | ||
| 173 | N | 89.1 | Confident | 93.1 | Very high | 90 Ų | 90 | 35.5 Ų | 35.5 | 48% | 0.481 | 20% | 0.196 | S | C | . | . | trans | -71.6 | 77 | 179.6 | -166.9 | -70.7 | 0 | 0 | 0 | 111.8 | M1 S171 L177 | M1-N173 WeakPolarHBondContact CB-O 3.26Å; M1-N173 WeakPolarHBondContact CG-O 3.38Å; S171-N173 PolarHBondContact O-N 3.15Å; N173-L177 HydrophobicContact CB-CD2 4.46Å | ||
| 174 | D | 91.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -103.5 | -177.5 | 176.8 | 82.3 | -45.3 | 0 | 0 | 0 | 111.1 | T2 S168 V172 M176 L177 Q178 | T2-D174 WeakPolarHBondContact OG1-CA 3.44Å; T2-D174 WeakPolarHBondContact OG1-CB 3.39Å; S168-D174 WeakPolarHBondContact CB-OD1 3.3Å; V172-D174 PolarHBondContact O-N 2.9Å; D174-M176 VanDerWaalsContact C-N 3.25Å; D174-M176 PolarHBondContact O-N 3.18Å; D174-M176 PolarHBondContact OD1-N 3.47Å; D174-M176 VanDerWaalsContact OD2-CB 3.27Å; D174-M176 WeakPolarHBondContact OD2-CB 3.43Å; D174-M176 PolarHBondContact OD2-N 2.93Å; D174-M176 VanDerWaalsContact OD2-N 3.1Å; D174-L177 PolarHBondContact O-N 2.88Å; D174-L177 VanDerWaalsContact OD1-CB 3.32Å; D174-L177 WeakPolarHBondContact OD1-CB 3.37Å; D174-L177 PolarHBondContact OD1-N 3.37Å; D174-Q178 WeakPolarHBondContact O-CG 3.37Å; D174-Q178 PolarHBondContact O-N 2.64Å; D174-Q178 PolarHBondContact O-NE2 3.49Å |
| 175 | L | 92.4 | Very high | 93.1 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.6 | -41.3 | 175.4 | 179.6 | 63.2 | 0 | 0 | 0 | 111.4 | T2 Q178 T179 I199 Y200 | T2-L175 PolarHBondContact OG1-N 3.04Å; L175-Q178 PolarHBondContact O-N 3.21Å; L175-T179 WeakPolarHBondContact O-CB 3.1Å; L175-T179 PolarHBondContact O-N 2.86Å; L175-T179 PolarHBondContact O-OG1 2.97Å; L175-I199 HydrophobicContact CD1-CD1 4Å; L175-I199 HydrophobicContact CD1-CG2 4.31Å; L175-I199 HydrophobicContact CD2-CB 3.93Å; L175-I199 HydrophobicContact CD2-CG2 3.49Å; L175-I199 VanDerWaalsContact CD2-CG2 3.49Å; L175-Y200 HydrophobicContact CB-CE2 4.35Å; L175-Y200 HydrophobicContact CD2-CD2 3.7Å; L175-Y200 HydrophobicContact CD2-CE2 3.5Å; L175-Y200 HydrophobicContact CD2-CG 4.29Å; L175-Y200 HydrophobicContact CG-CE2 4.06Å |
| 176 | M | 94.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.4 | -42 | -179 | -174 | 56.8 | 67 | 0 | 0 | 111.7 | A165 D174 Q178 T179 K180 Y193 Y200 | A165-M176 HydrophobicContact CB-CB 3.97Å; A165-M176 HydrophobicContact CB-CE 4.04Å; A165-M176 HydrophobicContact CB-CG 4.2Å; D174-M176 VanDerWaalsContact C-N 3.25Å; D174-M176 PolarHBondContact O-N 3.18Å; D174-M176 PolarHBondContact OD1-N 3.47Å; D174-M176 VanDerWaalsContact OD2-CB 3.27Å; D174-M176 WeakPolarHBondContact OD2-CB 3.43Å; D174-M176 PolarHBondContact OD2-N 2.93Å; D174-M176 VanDerWaalsContact OD2-N 3.1Å; M176-Q178 PolarHBondContact O-N 3.33Å; M176-T179 PolarHBondContact O-N 3.47Å; M176-K180 HydrophobicContact CG-CD 4.37Å; M176-K180 WeakPolarHBondContact O-CB 3.45Å; M176-K180 WeakPolarHBondContact O-CG 3.25Å; M176-K180 PolarHBondContact O-N 3.49Å; M176-Y193 HydrophobicContact SD-CD1 4.39Å; M176-Y193 HydrophobicContact SD-CE1 4.02Å; M176-Y200 HydrophobicContact CE-CE2 4.24Å |
| 177 | L | 93.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 177 | -168.5 | 67.2 | 0 | 0 | 0 | 112 | V172 N173 D174 K180 S181 | V172-L177 WeakPolarHBondContact O-CB 3.46Å; V172-L177 WeakPolarHBondContact O-CD2 3.26Å; N173-L177 HydrophobicContact CB-CD2 4.46Å; D174-L177 PolarHBondContact O-N 2.88Å; D174-L177 VanDerWaalsContact OD1-CB 3.32Å; D174-L177 WeakPolarHBondContact OD1-CB 3.37Å; D174-L177 PolarHBondContact OD1-N 3.37Å; L177-K180 PolarHBondContact O-N 2.85Å; L177-S181 WeakPolarHBondContact O-CB 3.08Å; L177-S181 PolarHBondContact O-N 2.8Å; L177-S181 PolarHBondContact O-OG 3.15Å |
| 178 | Q | 93.8 | Very high | 93.3 | Very high | 92 Ų | 92 | 62 Ų | 62 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.7 | -73.4 | 178.1 | 91.5 | 0 | 0 | 111.3 | D174 L175 M176 S181 I182 | D174-Q178 WeakPolarHBondContact O-CG 3.37Å; D174-Q178 PolarHBondContact O-N 2.64Å; D174-Q178 PolarHBondContact O-NE2 3.49Å; L175-Q178 PolarHBondContact O-N 3.21Å; M176-Q178 PolarHBondContact O-N 3.33Å; Q178-S181 PolarHBondContact O-N 3.29Å; Q178-I182 VanDerWaalsContact O-CG1 3.3Å; Q178-I182 WeakPolarHBondContact O-CG1 3.45Å; Q178-I182 PolarHBondContact O-N 3.02Å |
| 179 | T | 95.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | L175 M176 S181 I182 A183 W192 Y193 A196 | L175-T179 WeakPolarHBondContact O-CB 3.1Å; L175-T179 PolarHBondContact O-N 2.86Å; L175-T179 PolarHBondContact O-OG1 2.97Å; M176-T179 PolarHBondContact O-N 3.47Å; T179-S181 VanDerWaalsContact C-N 3.29Å; T179-S181 PolarHBondContact O-N 3.23Å; T179-I182 PolarHBondContact O-N 3.44Å; T179-A183 WeakPolarHBondContact O-CB 3.37Å; T179-A183 PolarHBondContact O-N 3.37Å; T179-W192 HydrophobicContact CG2-CB 4.04Å; T179-W192 VanDerWaalsContact CG2-O 3.29Å; T179-W192 WeakPolarHBondContact CG2-O 3.14Å; T179-Y193 HydrophobicContact CG2-CD1 3.73Å; T179-Y193 HydrophobicContact CG2-CE1 4.05Å; T179-A196 HydrophobicContact CG2-CB 3.68Å; T179-A196 WeakPolarHBondContact OG1-CB 3.39Å |
| 180 | K | 93.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 27% | 0.265 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 175.4 | -75.8 | 174.2 | 178 | 174 | 0 | 111.4 | S168 M176 L177 I182 A183 T184 Y193 | S168-K180 PolarHBondContact OG-NZ 2.78Å; S168-K180 VanDerWaalsContact OG-NZ 3.15Å; M176-K180 HydrophobicContact CG-CD 4.37Å; M176-K180 WeakPolarHBondContact O-CB 3.45Å; M176-K180 WeakPolarHBondContact O-CG 3.25Å; M176-K180 PolarHBondContact O-N 3.49Å; L177-K180 PolarHBondContact O-N 2.85Å; K180-I182 PolarHBondContact O-N 2.79Å; K180-A183 PolarHBondContact O-N 3.24Å; K180-T184 PolarHBondContact O-N 3.32Å; K180-T184 PolarHBondContact O-OG1 3.01Å; K180-Y193 HydrophobicContact CG-CE1 4.24Å |
| 181 | S | 94.7 | Very high | 93.8 | Very high | 46 Ų | 46 | 71.6 Ų | 71.6 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | -179.8 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | L177 Q178 T179 R185 | L177-S181 WeakPolarHBondContact O-CB 3.08Å; L177-S181 PolarHBondContact O-N 2.8Å; L177-S181 PolarHBondContact O-OG 3.15Å; Q178-S181 PolarHBondContact O-N 3.29Å; T179-S181 VanDerWaalsContact C-N 3.29Å; T179-S181 PolarHBondContact O-N 3.23Å; S181-R185 VanDerWaalsContact O-CG 3.23Å; S181-R185 WeakPolarHBondContact O-CG 3.19Å; S181-R185 PolarHBondContact O-N 3.4Å |
| 182 | I | 95 | Very high | 94 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73 | -41.2 | 178.8 | -61.3 | 165.7 | 0 | 0 | 0 | 110.7 | Q178 T179 K180 T184 R185 T186 W192 | Q178-I182 VanDerWaalsContact O-CG1 3.3Å; Q178-I182 WeakPolarHBondContact O-CG1 3.45Å; Q178-I182 PolarHBondContact O-N 3.02Å; T179-I182 PolarHBondContact O-N 3.44Å; K180-I182 PolarHBondContact O-N 2.79Å; I182-T184 VanDerWaalsContact C-N 3.34Å; I182-T184 PolarHBondContact O-N 2.84Å; I182-R185 PolarHBondContact O-N 3.45Å; I182-T186 HydrophobicContact CG2-CG2 4.04Å; I182-T186 WeakPolarHBondContact O-CB 3.36Å; I182-T186 WeakPolarHBondContact O-CG2 3.36Å; I182-T186 PolarHBondContact O-N 3.48Å; I182-T186 PolarHBondContact O-OG1 2.87Å; I182-W192 HydrophobicContact CB-CD2 4.35Å; I182-W192 HydrophobicContact CG2-CD2 3.51Å; I182-W192 HydrophobicContact CG2-CE3 3.88Å; I182-W192 HydrophobicContact CG2-CG 4.05Å; I182-W192 HydrophobicContact CG2-CH2 3.88Å; I182-W192 HydrophobicContact CG2-CZ2 3.52Å; I182-W192 HydrophobicContact CG2-CZ3 4.04Å |
| 183 | A | 95.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.033 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.4 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T179 K180 Q187 E188 P189 W192 | T179-A183 WeakPolarHBondContact O-CB 3.37Å; T179-A183 PolarHBondContact O-N 3.37Å; K180-A183 PolarHBondContact O-N 3.24Å; A183-Q187 VanDerWaalsContact O-CA 3.3Å; A183-Q187 WeakPolarHBondContact O-CA 3.3Å; A183-Q187 PolarHBondContact O-N 2.92Å; A183-E188 PolarHBondContact O-N 2.69Å; A183-P189 HydrophobicContact CB-CB 4.3Å; A183-W192 HydrophobicContact CB-CB 4.15Å |
| 184 | T | 94.5 | Very high | 94.7 | Very high | 113 Ų | 113 | 76 Ų | 76 | 69% | 0.693 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.6 | -38.1 | 177.8 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | K180 I182 | K180-T184 PolarHBondContact O-N 3.32Å; K180-T184 PolarHBondContact O-OG1 3.01Å; I182-T184 VanDerWaalsContact C-N 3.34Å; I182-T184 PolarHBondContact O-N 2.84Å |
| 185 | R | 95 | Very high | 94.9 | Very high | 207 Ų | 207 | 79 Ų | 79 | 78% | 0.781 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.2 | -41.4 | 180 | -73.8 | 173.1 | -172.8 | -178.6 | 2.7 | 113.4 | S181 I182 | S181-R185 VanDerWaalsContact O-CG 3.23Å; S181-R185 WeakPolarHBondContact O-CG 3.19Å; S181-R185 PolarHBondContact O-N 3.4Å; I182-R185 PolarHBondContact O-N 3.45Å |
| 186 | T | 95.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 77.9 Ų | 77.9 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -87.1 | -12.2 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | I182 E188 W192 | I182-T186 HydrophobicContact CG2-CG2 4.04Å; I182-T186 WeakPolarHBondContact O-CB 3.36Å; I182-T186 WeakPolarHBondContact O-CG2 3.36Å; I182-T186 PolarHBondContact O-N 3.48Å; I182-T186 PolarHBondContact O-OG1 2.87Å; T186-E188 PolarHBondContact O-N 3.28Å; T186-W192 HydrophobicContact CG2-CZ2 4.23Å; T186-W192 PolarHBondContact OG1-NE1 2.79Å |
| 187 | Q | 95.5 | Very high | 95.1 | Very high | 164 Ų | 164 | 79 Ų | 79 | 77% | 0.766 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 22.4 | -173.6 | -53.7 | -172.3 | -60.9 | 0 | 0 | 114 | A183 P189 | A183-Q187 VanDerWaalsContact O-CA 3.3Å; A183-Q187 WeakPolarHBondContact O-CA 3.3Å; A183-Q187 PolarHBondContact O-N 2.92Å; Q187-P189 WeakPolarHBondContact O-CD 3.47Å |
| 188 | E | 95 | Very high | 95.3 | Very high | 108 Ų | 108 | 79.7 Ų | 79.7 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | trans | -116.7 | 60.3 | -177 | -72.3 | -66 | 161.6 | 0 | 0 | 111.9 | A183 T186 F190 T191 W192 | A183-E188 PolarHBondContact O-N 2.69Å; T186-E188 PolarHBondContact O-N 3.28Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 2.96Å; E188-T191 PolarHBondContact O-N 3.3Å; E188-W192 PolarHBondContact O-N 3.48Å | ||
| 189 | P | 94.4 | Very high | 95.3 | Very high | 66 Ų | 66 | 78.5 Ų | 78.5 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | -170.7 | 23.8 | -33.8 | 0 | 0 | 0 | 113.3 | A183 Q187 T191 W192 Y193 | A183-P189 HydrophobicContact CB-CB 4.3Å; Q187-P189 WeakPolarHBondContact O-CD 3.47Å; P189-T191 PolarHBondContact O-N 2.92Å; P189-W192 PolarHBondContact O-N 3.06Å; P189-Y193 HydrophobicContact CB-CD2 4.04Å; P189-Y193 HydrophobicContact CB-CE2 3.82Å; P189-Y193 WeakPolarHBondContact O-CB 3.32Å; P189-Y193 WeakPolarHBondContact O-CD2 3.48Å; P189-Y193 PolarHBondContact O-N 3.39Å |
| 190 | F | 95 | Very high | 95.3 | Very high | 156 Ų | 156 | 79.3 Ų | 79.3 | 68% | 0.684 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.7 | -48.3 | -178.2 | -175.1 | -101.7 | 0 | 0 | 0 | 111.9 | E188 W192 Y193 I194 | E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 2.96Å; F190-W192 PolarHBondContact O-N 2.77Å; F190-Y193 PolarHBondContact O-N 2.8Å; F190-I194 HydrophobicContact CD1-CD1 3.72Å; F190-I194 HydrophobicContact CE1-CD1 3.26Å; F190-I194 HydrophobicContact CE1-CG1 4.5Å; F190-I194 HydrophobicContact CE2-CD1 4.17Å; F190-I194 HydrophobicContact CG-CD1 4.35Å; F190-I194 HydrophobicContact CZ-CD1 3.52Å; F190-I194 WeakPolarHBondContact O-CG1 3.4Å; F190-I194 PolarHBondContact O-N 3.03Å; F190-I194 VanDerWaalsContact O-N 3.08Å |
| 191 | T | 96.1 | Very high | 95.3 | Very high | 70 Ų | 70 | 81.5 Ų | 81.5 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.8 | -49 | 179.6 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | E188 P189 I194 V195 | E188-T191 PolarHBondContact O-N 3.3Å; P189-T191 PolarHBondContact O-N 2.92Å; T191-I194 PolarHBondContact O-N 3.5Å; T191-V195 WeakPolarHBondContact O-CG2 3.21Å; T191-V195 PolarHBondContact O-N 3.16Å; T191-V195 VanDerWaalsContact O-N 3.13Å |
| 192 | W | 96 | Very high | 95.4 | Very high | 84 Ų | 84 | 83.1 Ų | 83.1 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.5 | -34.7 | -176.2 | -66.7 | 108.9 | 0 | 0 | 0 | 113.1 | T179 I182 A183 T186 E188 P189 F190 I194 V195 A196 | T179-W192 HydrophobicContact CG2-CB 4.04Å; T179-W192 VanDerWaalsContact CG2-O 3.29Å; T179-W192 WeakPolarHBondContact CG2-O 3.14Å; I182-W192 HydrophobicContact CB-CD2 4.35Å; I182-W192 HydrophobicContact CG2-CD2 3.51Å; I182-W192 HydrophobicContact CG2-CE3 3.88Å; I182-W192 HydrophobicContact CG2-CG 4.05Å; I182-W192 HydrophobicContact CG2-CH2 3.88Å; I182-W192 HydrophobicContact CG2-CZ2 3.52Å; I182-W192 HydrophobicContact CG2-CZ3 4.04Å; A183-W192 HydrophobicContact CB-CB 4.15Å; T186-W192 HydrophobicContact CG2-CZ2 4.23Å; T186-W192 PolarHBondContact OG1-NE1 2.79Å; E188-W192 PolarHBondContact O-N 3.48Å; P189-W192 PolarHBondContact O-N 3.06Å; F190-W192 PolarHBondContact O-N 2.77Å; W192-I194 VanDerWaalsContact C-N 3.35Å; W192-V195 PolarHBondContact O-N 3.39Å; W192-A196 PolarHBondContact O-N 2.91Å |
| 193 | Y | 95.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 82.1 Ų | 82.1 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.3 | -32.6 | 173.8 | -71.5 | -53.4 | 0 | 0 | 0 | 112.8 | M176 T179 K180 P189 F190 A196 A197 | M176-Y193 HydrophobicContact SD-CD1 4.39Å; M176-Y193 HydrophobicContact SD-CE1 4.02Å; T179-Y193 HydrophobicContact CG2-CD1 3.73Å; T179-Y193 HydrophobicContact CG2-CE1 4.05Å; K180-Y193 HydrophobicContact CG-CE1 4.24Å; P189-Y193 HydrophobicContact CB-CD2 4.04Å; P189-Y193 HydrophobicContact CB-CE2 3.82Å; P189-Y193 WeakPolarHBondContact O-CB 3.32Å; P189-Y193 WeakPolarHBondContact O-CD2 3.48Å; P189-Y193 PolarHBondContact O-N 3.39Å; F190-Y193 PolarHBondContact O-N 2.8Å; Y193-A196 PolarHBondContact O-N 3.01Å; Y193-A197 WeakPolarHBondContact O-CB 3.14Å; Y193-A197 PolarHBondContact O-N 3.19Å |
| 194 | I | 96.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 82.9 Ų | 82.9 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 171.4 | -73.8 | 173.3 | 0 | 0 | 0 | 111 | F190 T191 W192 A196 A197 A198 | F190-I194 HydrophobicContact CD1-CD1 3.72Å; F190-I194 HydrophobicContact CE1-CD1 3.26Å; F190-I194 HydrophobicContact CE1-CG1 4.5Å; F190-I194 HydrophobicContact CE2-CD1 4.17Å; F190-I194 HydrophobicContact CG-CD1 4.35Å; F190-I194 HydrophobicContact CZ-CD1 3.52Å; F190-I194 WeakPolarHBondContact O-CG1 3.4Å; F190-I194 PolarHBondContact O-N 3.03Å; F190-I194 VanDerWaalsContact O-N 3.08Å; T191-I194 PolarHBondContact O-N 3.5Å; W192-I194 VanDerWaalsContact C-N 3.35Å; I194-A196 VanDerWaalsContact C-N 3.32Å; I194-A196 PolarHBondContact O-N 3.28Å; I194-A197 PolarHBondContact O-N 3.09Å; I194-A198 WeakPolarHBondContact O-CB 3.3Å; I194-A198 PolarHBondContact O-N 3.08Å |
| 195 | V | 96.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 82 Ų | 82 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | T191 W192 A197 A198 I199 | T191-V195 WeakPolarHBondContact O-CG2 3.21Å; T191-V195 PolarHBondContact O-N 3.16Å; T191-V195 VanDerWaalsContact O-N 3.13Å; W192-V195 PolarHBondContact O-N 3.39Å; V195-A197 PolarHBondContact O-N 3.3Å; V195-A198 PolarHBondContact O-N 2.88Å; V195-I199 HydrophobicContact CG1-CD1 3.95Å; V195-I199 VanDerWaalsContact O-CG1 3.31Å; V195-I199 WeakPolarHBondContact O-CG1 3.16Å; V195-I199 PolarHBondContact O-N 3.5Å |
| 196 | A | 95 | Very high | 95.3 | Very high | 3 Ų | 3 | 77 Ų | 77 | 3% | 0.025 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T179 W192 Y193 I194 A198 I199 Y200 | T179-A196 HydrophobicContact CG2-CB 3.68Å; T179-A196 WeakPolarHBondContact OG1-CB 3.39Å; W192-A196 PolarHBondContact O-N 2.91Å; Y193-A196 PolarHBondContact O-N 3.01Å; I194-A196 VanDerWaalsContact C-N 3.32Å; I194-A196 PolarHBondContact O-N 3.28Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.5Å; A196-I199 PolarHBondContact O-N 3.26Å; A196-Y200 VanDerWaalsContact O-CD2 3.3Å; A196-Y200 WeakPolarHBondContact O-CD2 3.3Å; A196-Y200 PolarHBondContact O-N 2.98Å |
| 197 | A | 95.7 | Very high | 95.2 | Very high | 60 Ų | 60 | 74.6 Ų | 74.6 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y193 I194 V195 Y200 L201 | Y193-A197 WeakPolarHBondContact O-CB 3.14Å; Y193-A197 PolarHBondContact O-N 3.19Å; I194-A197 PolarHBondContact O-N 3.09Å; V195-A197 PolarHBondContact O-N 3.3Å; A197-Y200 PolarHBondContact O-N 3.41Å; A197-L201 VanDerWaalsContact O-CB 3.29Å; A197-L201 WeakPolarHBondContact O-CB 3.21Å; A197-L201 PolarHBondContact O-N 3.42Å |
| 198 | A | 96.9 | Very high | 95 | Very high | 51 Ų | 51 | 71.1 Ų | 71.1 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I194 V195 A196 L201 V202 | I194-A198 WeakPolarHBondContact O-CB 3.3Å; I194-A198 PolarHBondContact O-N 3.08Å; V195-A198 PolarHBondContact O-N 2.88Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.5Å; A198-L201 WeakPolarHBondContact O-CB 3.2Å; A198-L201 PolarHBondContact O-N 3.49Å; A198-V202 WeakPolarHBondContact O-CG2 3.49Å; A198-V202 PolarHBondContact O-N 3.11Å |
| 199 | I | 95.1 | Very high | 95 | Very high | 67 Ų | 67 | 72.1 Ų | 72.1 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 176.6 | -65.2 | 165.1 | 0 | 0 | 0 | 110.7 | L175 V195 A196 L201 V202 I203 | L175-I199 HydrophobicContact CD1-CD1 4Å; L175-I199 HydrophobicContact CD1-CG2 4.31Å; L175-I199 HydrophobicContact CD2-CB 3.93Å; L175-I199 HydrophobicContact CD2-CG2 3.49Å; L175-I199 VanDerWaalsContact CD2-CG2 3.49Å; V195-I199 HydrophobicContact CG1-CD1 3.95Å; V195-I199 VanDerWaalsContact O-CG1 3.31Å; V195-I199 WeakPolarHBondContact O-CG1 3.16Å; V195-I199 PolarHBondContact O-N 3.5Å; A196-I199 PolarHBondContact O-N 3.26Å; I199-L201 VanDerWaalsContact C-N 3.28Å; I199-L201 PolarHBondContact O-N 2.86Å; I199-V202 PolarHBondContact O-N 3.35Å; I199-I203 HydrophobicContact CG2-CD1 3.85Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 VanDerWaalsContact O-CG1 3.3Å; I199-I203 WeakPolarHBondContact O-CG1 3.39Å; I199-I203 PolarHBondContact O-N 3.44Å |
| 200 | Y | 94.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 73.6 Ų | 73.6 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -38.5 | 175.2 | -87 | -71.9 | 0 | 0 | 0 | 112 | L175 M176 A196 A197 I203 T204 | L175-Y200 HydrophobicContact CB-CE2 4.35Å; L175-Y200 HydrophobicContact CD2-CD2 3.7Å; L175-Y200 HydrophobicContact CD2-CE2 3.5Å; L175-Y200 HydrophobicContact CD2-CG 4.29Å; L175-Y200 HydrophobicContact CG-CE2 4.06Å; M176-Y200 HydrophobicContact CE-CE2 4.24Å; A196-Y200 VanDerWaalsContact O-CD2 3.3Å; A196-Y200 WeakPolarHBondContact O-CD2 3.3Å; A196-Y200 PolarHBondContact O-N 2.98Å; A197-Y200 PolarHBondContact O-N 3.41Å; Y200-I203 PolarHBondContact O-N 3.39Å; Y200-T204 VanDerWaalsContact O-CB 3.28Å; Y200-T204 WeakPolarHBondContact O-CB 3.16Å; Y200-T204 PolarHBondContact O-N 2.82Å; Y200-T204 PolarHBondContact O-OG1 3.23Å |
| 201 | L | 95.1 | Very high | 94.7 | Very high | 106 Ų | 106 | 68.3 Ų | 68.3 | 56% | 0.555 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.1 | -46.8 | 176.6 | -174.4 | 119.1 | 0 | 0 | 0 | 111.3 | A197 A198 I199 I203 T204 L205 | A197-L201 VanDerWaalsContact O-CB 3.29Å; A197-L201 WeakPolarHBondContact O-CB 3.21Å; A197-L201 PolarHBondContact O-N 3.42Å; A198-L201 WeakPolarHBondContact O-CB 3.2Å; A198-L201 PolarHBondContact O-N 3.49Å; I199-L201 VanDerWaalsContact C-N 3.28Å; I199-L201 PolarHBondContact O-N 2.86Å; L201-I203 PolarHBondContact O-N 2.94Å; L201-T204 PolarHBondContact O-N 2.94Å; L201-L205 HydrophobicContact CD2-CD1 3.69Å; L201-L205 HydrophobicContact CG-CD1 4.11Å; L201-L205 HydrophobicContact CG-CG 4.43Å; L201-L205 WeakPolarHBondContact O-CB 3.49Å; L201-L205 VanDerWaalsContact O-CG 3.3Å; L201-L205 WeakPolarHBondContact O-CG 3.38Å; L201-L205 PolarHBondContact O-N 2.96Å |
| 202 | V | 96 | Very high | 94.4 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111 | A198 I199 T204 L205 L206 | A198-V202 WeakPolarHBondContact O-CG2 3.49Å; A198-V202 PolarHBondContact O-N 3.11Å; I199-V202 PolarHBondContact O-N 3.35Å; V202-T204 VanDerWaalsContact C-N 3.29Å; V202-T204 PolarHBondContact O-N 2.86Å; V202-L205 PolarHBondContact O-N 3.48Å; V202-L206 HydrophobicContact CG1-CD1 3.92Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CB 3.2Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.1Å; V202-L206 PolarHBondContact O-N 3.4Å |
| 203 | I | 93.5 | Very high | 94 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.1 | -66.7 | 168 | 0 | 0 | 0 | 110.8 | L161 I199 Y200 L201 S207 | L161-I203 HydrophobicContact CD1-CG2 4.1Å; L161-I203 HydrophobicContact CD2-CG2 4.26Å; I199-I203 HydrophobicContact CG2-CD1 3.85Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 VanDerWaalsContact O-CG1 3.3Å; I199-I203 WeakPolarHBondContact O-CG1 3.39Å; I199-I203 PolarHBondContact O-N 3.44Å; Y200-I203 PolarHBondContact O-N 3.39Å; L201-I203 PolarHBondContact O-N 2.94Å; I203-S207 VanDerWaalsContact O-CB 3.28Å; I203-S207 WeakPolarHBondContact O-CB 3.39Å; I203-S207 PolarHBondContact O-N 3.02Å; I203-S207 PolarHBondContact O-OG 2.87Å |
| 204 | T | 92.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 73.2 Ų | 73.2 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 179.2 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | L158 Y200 L201 V202 S207 Q208 | L158-T204 HydrophobicContact CD2-CG2 4.22Å; Y200-T204 VanDerWaalsContact O-CB 3.28Å; Y200-T204 WeakPolarHBondContact O-CB 3.16Å; Y200-T204 PolarHBondContact O-N 2.82Å; Y200-T204 PolarHBondContact O-OG1 3.23Å; L201-T204 PolarHBondContact O-N 2.94Å; V202-T204 VanDerWaalsContact C-N 3.29Å; V202-T204 PolarHBondContact O-N 2.86Å; T204-S207 PolarHBondContact O-N 2.74Å; T204-Q208 WeakPolarHBondContact O-CB 3.46Å; T204-Q208 WeakPolarHBondContact O-CG 3.16Å; T204-Q208 PolarHBondContact O-N 3.2Å |
| 205 | L | 95.2 | Very high | 93 | Very high | 94 Ų | 94 | 71.2 Ų | 71.2 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 179.4 | -71.7 | 174.6 | 0 | 0 | 0 | 111.8 | L201 V202 Q208 Y209 | L201-L205 HydrophobicContact CD2-CD1 3.69Å; L201-L205 HydrophobicContact CG-CD1 4.11Å; L201-L205 HydrophobicContact CG-CG 4.43Å; L201-L205 WeakPolarHBondContact O-CB 3.49Å; L201-L205 VanDerWaalsContact O-CG 3.3Å; L201-L205 WeakPolarHBondContact O-CG 3.38Å; L201-L205 PolarHBondContact O-N 2.96Å; V202-L205 PolarHBondContact O-N 3.48Å; L205-Q208 PolarHBondContact O-N 3.43Å; L205-Y209 WeakPolarHBondContact O-CB 3.33Å; L205-Y209 PolarHBondContact O-N 3.37Å |
| 206 | L | 95 | Very high | 92.3 | Very high | 101 Ų | 101 | 71.6 Ų | 71.6 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 174 | -71.7 | 174.2 | 0 | 0 | 0 | 111.1 | V202 Y209 I210 | V202-L206 HydrophobicContact CG1-CD1 3.92Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CB 3.2Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.1Å; V202-L206 PolarHBondContact O-N 3.4Å; L206-Y209 PolarHBondContact O-N 3.01Å; L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 3.41Å; L206-I210 PolarHBondContact O-N 3.09Å |
| 207 | S | 92.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 81.2 Ų | 81.2 | 10% | 0.098 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | W157 L161 I203 T204 Y209 I210 L211 | W157-S207 PolarHBondContact NE1-OG 3.31Å; L161-S207 WeakPolarHBondContact CD1-OG 3.46Å; I203-S207 VanDerWaalsContact O-CB 3.28Å; I203-S207 WeakPolarHBondContact O-CB 3.39Å; I203-S207 PolarHBondContact O-N 3.02Å; I203-S207 PolarHBondContact O-OG 2.87Å; T204-S207 PolarHBondContact O-N 2.74Å; S207-Y209 PolarHBondContact O-N 2.83Å; S207-I210 PolarHBondContact O-N 2.97Å; S207-L211 WeakPolarHBondContact O-CB 3.4Å; S207-L211 VanDerWaalsContact O-CG 3.25Å; S207-L211 WeakPolarHBondContact O-CG 3.27Å; S207-L211 PolarHBondContact O-N 3.11Å |
| 208 | Q | 93.2 | Very high | 90.6 | Very high | 91 Ų | 91 | 79.4 Ų | 79.4 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.1 | -79.5 | -179.5 | -19.8 | 0 | 0 | 112.2 | L158 T204 L205 L211 K212 | L158-Q208 HydrophobicContact CD1-CG 3.51Å; L158-Q208 HydrophobicContact CD2-CG 4.08Å; L158-Q208 HydrophobicContact CG-CG 4.44Å; T204-Q208 WeakPolarHBondContact O-CB 3.46Å; T204-Q208 WeakPolarHBondContact O-CG 3.16Å; T204-Q208 PolarHBondContact O-N 3.2Å; L205-Q208 PolarHBondContact O-N 3.43Å; Q208-L211 PolarHBondContact O-N 3.49Å; Q208-K212 VanDerWaalsContact O-CB 3.3Å; Q208-K212 WeakPolarHBondContact O-CB 3.23Å; Q208-K212 PolarHBondContact O-N 3.21Å |
| 209 | Y | 93.2 | Very high | 89.4 | Confident | 128 Ų | 128 | 78.4 Ų | 78.4 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.2 | 176 | -103.5 | 0 | 0 | 0 | 111.6 | L205 L206 S207 K212 R213 | L205-Y209 WeakPolarHBondContact O-CB 3.33Å; L205-Y209 PolarHBondContact O-N 3.37Å; L206-Y209 PolarHBondContact O-N 3.01Å; S207-Y209 PolarHBondContact O-N 2.83Å; Y209-K212 PolarHBondContact O-N 3.37Å; Y209-R213 HydrophobicContact CE1-CG 4.28Å; Y209-R213 HydrophobicContact CE2-CG 4.37Å; Y209-R213 WeakPolarHBondContact O-CG 3.18Å; Y209-R213 PolarHBondContact O-N 2.91Å; Y209-R213 PolarHBondContact OH-NE 2.94Å; Y209-R213 VanDerWaalsContact OH-NE 3.1Å; Y209-R213 PolarHBondContact OH-NH2 3.37Å |
| 210 | I | 92.6 | Very high | 88 | Confident | 98 Ų | 98 | 83.7 Ų | 83.7 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 176.1 | -67.1 | 165 | 0 | 0 | 0 | 110.6 | L206 S207 K212 R213 I214 | L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 3.41Å; L206-I210 PolarHBondContact O-N 3.09Å; S207-I210 PolarHBondContact O-N 2.97Å; I210-K212 VanDerWaalsContact C-N 3.35Å; I210-K212 PolarHBondContact O-N 3.44Å; I210-R213 WeakPolarHBondContact O-CB 3.41Å; I210-R213 PolarHBondContact O-N 3.44Å; I210-R213 VanDerWaalsContact O-N 3.16Å; I210-I214 HydrophobicContact CG2-CD1 3.84Å; I210-I214 WeakPolarHBondContact O-CG1 3.34Å; I210-I214 PolarHBondContact O-N 2.94Å |
| 211 | L | 90.5 | Very high | 86.4 | Confident | 44 Ų | 44 | 88.7 Ų | 88.7 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 178.5 | -73.2 | 172.2 | 0 | 0 | 0 | 111.9 | G154 L158 S207 Q208 R213 I214 D215 | G154-L211 VanDerWaalsContact O-CD1 3.29Å; G154-L211 WeakPolarHBondContact O-CD1 3.43Å; L158-L211 HydrophobicContact CD2-CD1 4.26Å; L158-L211 HydrophobicContact CG-CD1 4.26Å; S207-L211 WeakPolarHBondContact O-CB 3.4Å; S207-L211 VanDerWaalsContact O-CG 3.25Å; S207-L211 WeakPolarHBondContact O-CG 3.27Å; S207-L211 PolarHBondContact O-N 3.11Å; Q208-L211 PolarHBondContact O-N 3.49Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 3.31Å; L211-I214 PolarHBondContact O-N 3.46Å; L211-D215 WeakPolarHBondContact O-CB 3.29Å; L211-D215 PolarHBondContact O-N 3.34Å |
| 212 | K | 89.8 | Confident | 84.7 | Confident | 140 Ų | 140 | 87.8 Ų | 87.8 | 61% | 0.609 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | 176.2 | -173 | 177.4 | -176.4 | 176.9 | 0 | 111.6 | Q208 Y209 I210 I214 D215 L216 | Q208-K212 VanDerWaalsContact O-CB 3.3Å; Q208-K212 WeakPolarHBondContact O-CB 3.23Å; Q208-K212 PolarHBondContact O-N 3.21Å; Y209-K212 PolarHBondContact O-N 3.37Å; I210-K212 VanDerWaalsContact C-N 3.35Å; I210-K212 PolarHBondContact O-N 3.44Å; K212-I214 VanDerWaalsContact C-N 3.35Å; K212-D215 PolarHBondContact O-N 2.77Å; K212-L216 HydrophobicContact CG-CD1 4.23Å; K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 WeakPolarHBondContact O-CG 3.23Å; K212-L216 PolarHBondContact O-N 2.98Å |
| 213 | R | 88.8 | Confident | 82.5 | Confident | 142 Ų | 142 | 93.4 Ų | 93.4 | 54% | 0.536 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 175.4 | -74.4 | -73.7 | -166 | 170.8 | 2.8 | 112 | Y209 I210 L211 R217 | Y209-R213 HydrophobicContact CE1-CG 4.28Å; Y209-R213 HydrophobicContact CE2-CG 4.37Å; Y209-R213 WeakPolarHBondContact O-CG 3.18Å; Y209-R213 PolarHBondContact O-N 2.91Å; Y209-R213 PolarHBondContact OH-NE 2.94Å; Y209-R213 VanDerWaalsContact OH-NE 3.1Å; Y209-R213 PolarHBondContact OH-NH2 3.37Å; I210-R213 WeakPolarHBondContact O-CB 3.41Å; I210-R213 PolarHBondContact O-N 3.44Å; I210-R213 VanDerWaalsContact O-N 3.16Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.25Å; R213-R217 PolarHBondContact O-N 3.19Å |
| 214 | I | 87.3 | Confident | 80.3 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 39% | 0.39 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.5 | -47 | 176.1 | -66.7 | 166.3 | 0 | 0 | 0 | 110.2 | L150 I210 L211 K212 L216 R217 A218 | L150-I214 HydrophobicContact CD1-CG2 4.41Å; L150-I214 HydrophobicContact CD2-CG2 4.22Å; I210-I214 HydrophobicContact CG2-CD1 3.84Å; I210-I214 WeakPolarHBondContact O-CG1 3.34Å; I210-I214 PolarHBondContact O-N 2.94Å; L211-I214 PolarHBondContact O-N 3.46Å; K212-I214 VanDerWaalsContact C-N 3.35Å; I214-L216 PolarHBondContact O-N 3.32Å; I214-R217 PolarHBondContact O-N 2.82Å; I214-R217 VanDerWaalsContact O-N 3.15Å; I214-A218 PolarHBondContact O-N 3.26Å; I214-A218 VanDerWaalsContact O-N 3.09Å |
| 215 | D | 84 | Confident | 78.1 | Confident | 47 Ų | 47 | 107.3 Ų | 107.3 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 179.9 | -175.4 | 39.8 | 0 | 0 | 0 | 112.2 | L211 K212 R217 A218 T219 | L211-D215 WeakPolarHBondContact O-CB 3.29Å; L211-D215 PolarHBondContact O-N 3.34Å; K212-D215 PolarHBondContact O-N 2.77Å; D215-R217 PolarHBondContact O-N 2.99Å; D215-A218 PolarHBondContact O-N 2.94Å; D215-T219 PolarHBondContact O-N 3.31Å; D215-T219 PolarHBondContact O-OG1 2.93Å; D215-T219 WeakPolarHBondContact OD1-CG2 3.45Å |
| 216 | L | 82.1 | Confident | 75.7 | Confident | 73 Ų | 73 | 111.7 Ų | 111.7 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -30.9 | 176.1 | -73.4 | 170.8 | 0 | 0 | 0 | 113.3 | K212 I214 | K212-L216 HydrophobicContact CG-CD1 4.23Å; K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 WeakPolarHBondContact O-CG 3.23Å; K212-L216 PolarHBondContact O-N 2.98Å; I214-L216 PolarHBondContact O-N 3.32Å |
| 217 | R | 79.8 | Confident | 74.7 | Confident | 205 Ų | 205 | 112.3 Ų | 112.3 | 77% | 0.774 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.8 | -36.1 | 175.5 | -72.9 | 179.2 | 175.5 | -168.1 | -0.2 | 111.6 | R213 I214 D215 | R213-R217 WeakPolarHBondContact O-CG 3.25Å; R213-R217 PolarHBondContact O-N 3.19Å; I214-R217 PolarHBondContact O-N 2.82Å; I214-R217 VanDerWaalsContact O-N 3.15Å; D215-R217 PolarHBondContact O-N 2.99Å |
| 218 | A | 74.5 | Confident | 73.8 | Confident | 21 Ų | 21 | 117.4 Ų | 117.4 | 17% | 0.174 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -73.3 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R147 L150 I214 D215 | R147-A218 WeakPolarHBondContact CD-O 3.35Å; R147-A218 HydrophobicContact CG-CB 4.25Å; R147-A218 PolarHBondContact NE-O 3Å; L150-A218 HydrophobicContact CD1-CB 3.58Å; I214-A218 PolarHBondContact O-N 3.26Å; I214-A218 VanDerWaalsContact O-N 3.09Å; D215-A218 PolarHBondContact O-N 2.94Å |
| 219 | T | 71.4 | Confident | 72.7 | Confident | 30 Ų | 30 | 118.9 Ų | 118.9 | 18% | 0.184 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -91.3 | 2.6 | -174.7 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | D215 F221 E222 | D215-T219 PolarHBondContact O-N 3.31Å; D215-T219 PolarHBondContact O-OG1 2.93Å; D215-T219 WeakPolarHBondContact OD1-CG2 3.45Å; T219-F221 PolarHBondContact O-N 3.13Å; T219-E222 PolarHBondContact O-N 3.35Å |
| 220 | R | 66.2 | Low | 71.5 | Confident | 178 Ų | 178 | 118.4 Ų | 118.4 | 67% | 0.672 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -22.8 | -174.8 | 76.8 | 178.2 | -167.1 | -176.7 | -1.1 | 115.4 | ||
| 221 | F | 61.5 | Low | 70.2 | Confident | 133 Ų | 133 | 119.6 Ų | 119.6 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -14.1 | -177.2 | -66 | -71.8 | 0 | 0 | 0 | 114.7 | T219 | T219-F221 PolarHBondContact O-N 3.13Š|
| 222 | E | 58.3 | Low | 68.8 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 41% | 0.411 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.1 | -13.5 | -176.8 | -84 | 168.4 | -144.3 | 0 | 0 | 113.6 | T219 R224 | T219-E222 PolarHBondContact O-N 3.35Å; E222-R224 PolarHBondContact O-N 3.28Å |
| 223 | R | 50.7 | Low | 67.3 | Low | 197 Ų | 197 | 123.6 Ų | 123.6 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | trans | -66.3 | 87.2 | 167.9 | -88.1 | -174.4 | 174.4 | -169.9 | -3.7 | 108.7 | ||||
| 224 | R | 45.5 | Very low | 65.7 | Low | 228 Ų | 228 | 122.2 Ų | 122.2 | 86% | 0.86 | 58% | 0.58 | S | S | * | * | trans | -48.3 | 125.5 | 151.1 | -71.5 | -177.2 | 174.1 | -175.7 | -2.3 | 105.9 | E222 S226 | E222-R224 PolarHBondContact O-N 3.28Å; R224-S226 PolarHBondContact O-N 3.26Å | ||
| 225 | P | 46.8 | Very low | 63.9 | Low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | trans | -57.4 | 118.8 | 166.9 | 17.9 | -19 | 0 | 0 | 0 | 106.1 | ||||
| 226 | S | 45.4 | Very low | 62 | Low | 186 Ų | 186 | 133.2 Ų | 133.2 | 100% | 1.301 | 63% | 0.627 | S | S | * | * | trans | -60.5 | 0 | 166.5 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | R224 | R224-S226 PolarHBondContact O-N 3.26Š|
Retrieved 226 of 226 residues in 492.4 ms
(Link to these results)