| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | S | 88.6 | Confident | 97.5 | Very high | 70 Ų | 70 | 44.3 Ų | 44.3 | 49% | 0.49 | 25% | 0.247 | S | C | . | . | 0 | 162 | 0 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | N3 D6 N91 | S1-N3 PolarHBondContact OG-N 3Å; S1-D6 WeakPolarHBondContact CB-OD2 3.42Å; S1-D6 WeakPolarHBondContact OG-CB 3.42Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; S1-N91 WeakPolarHBondContact O-CB 3.41Å; S1-N91 PolarHBondContact O-OD1 2.85Å; S1-N91 VanDerWaalsContact O-OD1 3.06Å | |||
| 2 | T | 96.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 45 Ų | 45 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | trans | -111.7 | -10.2 | 166.5 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | P87 R88 | T2-P87 WeakPolarHBondContact O-CB 3.05Å; T2-R88 HydrophobicContact CG2-CG 3.98Å | ||
| 3 | N | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 50 Ų | 50 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | trans | -73.1 | 130.1 | -178.5 | -173.5 | -76.2 | 0 | 0 | 0 | 110.8 | S1 K5 D6 I7 | S1-N3 PolarHBondContact OG-N 3Å; N3-K5 PolarHBondContact O-N 3.36Å; N3-K5 WeakPolarHBondContact OD1-CA 3.45Å; N3-K5 WeakPolarHBondContact OD1-CB 3.15Å; N3-K5 PolarHBondContact OD1-N 3.19Å; N3-D6 HydrophobicContact CB-CB 4.47Å; N3-D6 PolarHBondContact O-N 3.18Å; N3-I7 WeakPolarHBondContact O-CG1 3.38Å; N3-I7 PolarHBondContact O-N 2.87Å; N3-I7 VanDerWaalsContact O-N 3.16Å | ||
| 4 | H | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -29.9 | 179.4 | 70.3 | 101.8 | 0 | 0 | 0 | 114.8 | G8 N72 P76 D83 M84 | H4-G8 PolarHBondContact O-N 3.29Å; H4-N72 PolarHBondContact ND1-O 3.47Å; H4-P76 HydrophobicContact CB-CG 4.33Å; H4-D83 VanDerWaalsContact CB-OD1 3.24Å; H4-D83 WeakPolarHBondContact CB-OD1 3.27Å; H4-D83 IonicContact CD2-OD1 3.35Å; H4-D83 PolarHBondContact CD2-OD1 3.25Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.92Å; H4-M84 HydrophobicContact CB-CG 3.79Å |
| 5 | K | 98.6 | Very high | 97.8 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.9 | -49.7 | 178.2 | -59.6 | -178.8 | -176.5 | 175.8 | 0 | 110.8 | N3 I7 G8 T9 W73 | N3-K5 PolarHBondContact O-N 3.36Å; N3-K5 WeakPolarHBondContact OD1-CA 3.45Å; N3-K5 WeakPolarHBondContact OD1-CB 3.15Å; N3-K5 PolarHBondContact OD1-N 3.19Å; K5-I7 PolarHBondContact O-N 2.99Å; K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.09Å; K5-T9 PolarHBondContact O-N 3.36Å; K5-T9 PolarHBondContact O-OG1 3.26Å; K5-W73 HydrophobicContact CB-CD2 4.47Å; K5-W73 HydrophobicContact CB-CE3 3.83Å; K5-W73 HydrophobicContact CB-CH2 4.02Å; K5-W73 HydrophobicContact CB-CZ3 3.54Å; K5-W73 HydrophobicContact CG-CE3 4.35Å; K5-W73 HydrophobicContact CG-CZ3 4.36Å; K5-W73 VanDerWaalsContact O-CE3 3.23Å; K5-W73 WeakPolarHBondContact O-CZ3 3.25Å |
| 6 | D | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56 | -45 | 176.9 | -63 | -15.8 | 0 | 0 | 0 | 110.9 | S1 N3 T9 L10 | S1-D6 WeakPolarHBondContact CB-OD2 3.42Å; S1-D6 WeakPolarHBondContact OG-CB 3.42Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; N3-D6 HydrophobicContact CB-CB 4.47Å; N3-D6 PolarHBondContact O-N 3.18Å; D6-T9 PolarHBondContact O-N 3.12Å; D6-L10 WeakPolarHBondContact O-CG 3.32Å; D6-L10 PolarHBondContact O-N 3.13Å |
| 7 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.6 | -64.3 | 165.7 | 0 | 0 | 0 | 110.5 | N3 K5 T9 L10 Y11 N90 N91 F94 | N3-I7 WeakPolarHBondContact O-CG1 3.38Å; N3-I7 PolarHBondContact O-N 2.87Å; N3-I7 VanDerWaalsContact O-N 3.16Å; K5-I7 PolarHBondContact O-N 2.99Å; I7-T9 VanDerWaalsContact C-N 3.35Å; I7-T9 PolarHBondContact O-N 2.93Å; I7-L10 WeakPolarHBondContact O-CB 3.36Å; I7-L10 PolarHBondContact O-N 3.3Å; I7-L10 VanDerWaalsContact O-N 3.15Å; I7-Y11 HydrophobicContact CG2-CD2 3.79Å; I7-Y11 HydrophobicContact CG2-CE2 3.59Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.38Å; I7-Y11 PolarHBondContact O-N 2.9Å; I7-N90 HydrophobicContact CD1-CB 4.08Å; I7-N91 HydrophobicContact CD1-CB 3.88Å; I7-F94 HydrophobicContact CG2-CB 4.14Å |
| 8 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H4 K5 Y11 F12 | H4-G8 PolarHBondContact O-N 3.29Å; K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.09Å; G8-Y11 WeakPolarHBondContact O-CB 3.37Å; G8-Y11 PolarHBondContact O-N 3Å; G8-F12 WeakPolarHBondContact O-CD2 3.36Å; G8-F12 PolarHBondContact O-N 3.45Å |
| 9 | T | 98.8 | Very high | 98 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 173.2 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | K5 D6 I7 Y11 F12 I13 W73 | K5-T9 PolarHBondContact O-N 3.36Å; K5-T9 PolarHBondContact O-OG1 3.26Å; D6-T9 PolarHBondContact O-N 3.12Å; I7-T9 VanDerWaalsContact C-N 3.35Å; I7-T9 PolarHBondContact O-N 2.93Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3.26Å; T9-F12 PolarHBondContact O-N 3.26Å; T9-F12 VanDerWaalsContact O-N 3.16Å; T9-I13 HydrophobicContact CG2-CD1 3.75Å; T9-I13 HydrophobicContact CG2-CG1 4.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.66Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.44Å |
| 10 | L | 98.8 | Very high | 98 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 177.4 | -72.8 | 174.2 | 0 | 0 | 0 | 111.5 | D6 I7 F12 I13 F14 F94 | D6-L10 WeakPolarHBondContact O-CG 3.32Å; D6-L10 PolarHBondContact O-N 3.13Å; I7-L10 WeakPolarHBondContact O-CB 3.36Å; I7-L10 PolarHBondContact O-N 3.3Å; I7-L10 VanDerWaalsContact O-N 3.15Å; L10-F12 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 2.83Å; L10-F14 VanDerWaalsContact O-CB 3.25Å; L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 3.37Å; L10-F94 VanDerWaalsContact C-CE2 3.42Å; L10-F94 HydrophobicContact CB-CD1 4.2Å; L10-F94 HydrophobicContact CB-CD2 4.07Å; L10-F94 HydrophobicContact CB-CE1 3.82Å; L10-F94 HydrophobicContact CB-CE2 3.68Å; L10-F94 HydrophobicContact CB-CG 4.32Å; L10-F94 HydrophobicContact CB-CZ 3.57Å; L10-F94 HydrophobicContact CD1-CD1 4.09Å; L10-F94 HydrophobicContact CD1-CE1 3.91Å; L10-F94 HydrophobicContact CD1-CZ 4.48Å; L10-F94 HydrophobicContact CD2-CZ 4.49Å; L10-F94 HydrophobicContact CG-CE1 4.31Å; L10-F94 HydrophobicContact CG-CZ 4.4Å; L10-F94 WeakPolarHBondContact O-CE2 3.46Å |
| 11 | Y | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 172.2 | -86.7 | -71.4 | 0 | 0 | 0 | 112.7 | I7 G8 T9 G15 P64 G68 S93 F94 L97 | I7-Y11 HydrophobicContact CG2-CD2 3.79Å; I7-Y11 HydrophobicContact CG2-CE2 3.59Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.38Å; I7-Y11 PolarHBondContact O-N 2.9Å; G8-Y11 WeakPolarHBondContact O-CB 3.37Å; G8-Y11 PolarHBondContact O-N 3Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3.26Å; Y11-G15 PolarHBondContact O-N 3.42Å; Y11-P64 HydrophobicContact CD1-CB 4Å; Y11-G68 WeakPolarHBondContact CD2-O 3.34Å; Y11-S93 VanDerWaalsContact OH-C 3.27Å; Y11-S93 PolarHBondContact OH-OG 2.61Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.36Å; Y11-F94 HydrophobicContact CD2-CD2 4.05Å; Y11-F94 HydrophobicContact CE1-CB 4.42Å; Y11-F94 HydrophobicContact CE1-CD2 4.06Å; Y11-F94 HydrophobicContact CE2-CB 3.73Å; Y11-F94 HydrophobicContact CE2-CD2 4.16Å; Y11-F94 HydrophobicContact CE2-CG 4.41Å; Y11-F94 AromaticContact CG-CD2 3.91Å; Y11-F94 HydrophobicContact CG-CD2 3.91Å; Y11-F94 WeakPolarHBondContact OH-CA 3.49Å; Y11-F94 PolarHBondContact OH-N 3.01Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; Y11-L97 HydrophobicContact CD1-CD1 3.92Å; Y11-L97 HydrophobicContact CE1-CD1 3.44Å; Y11-L97 VanDerWaalsContact CE1-CD1 3.44Å |
| 12 | F | 98.8 | Very high | 98.5 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 23% | 0.232 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.9 | -72.8 | -53.7 | 0 | 0 | 0 | 112.8 | G8 T9 L10 G15 A16 I65 F70 W73 | G8-F12 WeakPolarHBondContact O-CD2 3.36Å; G8-F12 PolarHBondContact O-N 3.45Å; T9-F12 PolarHBondContact O-N 3.26Å; T9-F12 VanDerWaalsContact O-N 3.16Å; L10-F12 PolarHBondContact O-N 2.89Å; F12-G15 PolarHBondContact O-N 3.03Å; F12-A16 VanDerWaalsContact O-CB 3.23Å; F12-A16 WeakPolarHBondContact O-CB 3.13Å; F12-A16 PolarHBondContact O-N 2.97Å; F12-I65 HydrophobicContact CD1-CG2 4.13Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; F12-F70 HydrophobicContact CE1-CD1 4.1Å; F12-F70 AromaticContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CE1 4.14Å; F12-F70 AromaticContact CE1-CE2 3.8Å; F12-F70 HydrophobicContact CE1-CE2 3.8Å; F12-F70 AromaticContact CE1-CG 3.91Å; F12-F70 HydrophobicContact CE1-CG 3.91Å; F12-F70 AromaticContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CZ-CB 4.31Å; F12-F70 AromaticContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD2 4.06Å; F12-F70 AromaticContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE2 4.28Å; F12-F70 AromaticContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CZ 4.17Å; F12-F70 VanDerWaalsContact CZ-N 3.27Å; F12-W73 HydrophobicContact CE2-CB 4.39Å |
| 13 | I | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 45.1 Ų | 45.1 | 56% | 0.564 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.2 | -47.4 | 179.3 | -66.8 | 169.5 | 0 | 0 | 0 | 110 | T9 L10 W17 | T9-I13 HydrophobicContact CG2-CD1 3.75Å; T9-I13 HydrophobicContact CG2-CG1 4.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.66Å; L10-I13 PolarHBondContact O-N 2.83Å; I13-W17 WeakPolarHBondContact O-CB 3.41Å; I13-W17 PolarHBondContact O-N 2.85Å |
| 14 | F | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 10% | 0.101 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -50.8 | 177.9 | 176.1 | -94.7 | 0 | 0 | 0 | 111.7 | L10 A16 W17 A18 F60 P64 F94 L97 P98 L101 | L10-F14 VanDerWaalsContact O-CB 3.25Å; L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 3.37Å; F14-A16 PolarHBondContact O-N 3.35Å; F14-W17 PolarHBondContact O-N 3Å; F14-A18 WeakPolarHBondContact O-CB 3.3Å; F14-A18 PolarHBondContact O-N 3.49Å; F14-F60 HydrophobicContact CE1-CB 4.27Å; F14-F60 AromaticContact CE1-CD1 3.99Å; F14-F60 HydrophobicContact CE1-CD1 3.99Å; F14-F60 AromaticContact CZ-CD1 3.81Å; F14-F60 HydrophobicContact CZ-CD1 3.81Å; F14-P64 HydrophobicContact CD1-CB 4.2Å; F14-P64 HydrophobicContact CD1-CG 4.37Å; F14-P64 HydrophobicContact CE1-CG 4.26Å; F14-F94 HydrophobicContact CB-CE2 3.88Å; F14-F94 HydrophobicContact CB-CZ 4.34Å; F14-F94 HydrophobicContact CG-CE2 4.35Å; F14-L97 HydrophobicContact CD1-CB 4.37Å; F14-L97 HydrophobicContact CD1-CD1 4.18Å; F14-L97 HydrophobicContact CE1-CB 3.77Å; F14-L97 HydrophobicContact CE1-CD1 4.01Å; F14-L97 HydrophobicContact CE1-CG 4.47Å; F14-L97 HydrophobicContact CE2-CB 4.36Å; F14-L97 HydrophobicContact CZ-CB 3.75Å; F14-P98 HydrophobicContact CD2-CG 4.34Å; F14-P98 HydrophobicContact CE2-CB 4.5Å; F14-P98 HydrophobicContact CE2-CG 4.25Å; F14-L101 HydrophobicContact CE2-CB 4.27Å; F14-L101 HydrophobicContact CE2-CD2 3.76Å; F14-L101 HydrophobicContact CZ-CB 3.93Å; F14-L101 HydrophobicContact CZ-CD2 3.67Å; F14-L101 HydrophobicContact CZ-CG 4.45Å |
| 15 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y11 F12 G19 F60 | Y11-G15 PolarHBondContact O-N 3.42Å; F12-G15 PolarHBondContact O-N 3.03Å; G15-G19 PolarHBondContact O-N 3.35Å; G15-F60 WeakPolarHBondContact CA-O 3.17Å |
| 16 | A | 98.7 | Very high | 98.6 | Very high | 53 Ų | 53 | 44 Ų | 44 | 44% | 0.438 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F12 F14 G19 M20 | F12-A16 VanDerWaalsContact O-CB 3.23Å; F12-A16 WeakPolarHBondContact O-CB 3.13Å; F12-A16 PolarHBondContact O-N 2.97Å; F14-A16 PolarHBondContact O-N 3.35Å; A16-G19 PolarHBondContact O-N 3.12Å; A16-M20 WeakPolarHBondContact O-CG 3.46Å; A16-M20 PolarHBondContact O-N 3.06Å |
| 17 | W | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 45.4 Ų | 45.4 | 49% | 0.492 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -49.4 | 176.6 | -173.9 | 92.6 | 0 | 0 | 0 | 112 | I13 F14 G19 M20 V21 L101 L105 | I13-W17 WeakPolarHBondContact O-CB 3.41Å; I13-W17 PolarHBondContact O-N 2.85Å; F14-W17 PolarHBondContact O-N 3Å; W17-G19 VanDerWaalsContact C-N 3.29Å; W17-G19 PolarHBondContact O-N 3.03Å; W17-M20 HydrophobicContact CB-CE 4.49Å; W17-M20 WeakPolarHBondContact O-CB 3.26Å; W17-M20 PolarHBondContact O-N 3.17Å; W17-M20 VanDerWaalsContact O-N 3.17Å; W17-V21 HydrophobicContact CD2-CG2 4.37Å; W17-V21 HydrophobicContact CE3-CG2 4.08Å; W17-V21 HydrophobicContact CH2-CG2 3.74Å; W17-V21 HydrophobicContact CZ2-CG2 4.05Å; W17-V21 HydrophobicContact CZ3-CG2 3.76Å; W17-V21 PolarHBondContact O-N 3.36Å; W17-L101 HydrophobicContact CE3-CD2 4.09Å; W17-L101 HydrophobicContact CZ3-CD2 3.71Å; W17-L105 HydrophobicContact CH2-CD1 4.49Å |
| 18 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F14 M20 V21 G22 I56 F60 L101 | F14-A18 WeakPolarHBondContact O-CB 3.3Å; F14-A18 PolarHBondContact O-N 3.49Å; A18-M20 VanDerWaalsContact C-N 3.33Å; A18-M20 PolarHBondContact O-N 3.27Å; A18-V21 WeakPolarHBondContact O-CB 3.38Å; A18-V21 PolarHBondContact O-N 3.19Å; A18-V21 VanDerWaalsContact O-N 3.13Å; A18-G22 PolarHBondContact O-N 2.97Å; A18-I56 HydrophobicContact CB-CG2 4.3Å; A18-I56 WeakPolarHBondContact O-CG2 3.35Å; A18-F60 HydrophobicContact CB-CB 3.92Å; A18-F60 WeakPolarHBondContact CB-O 3.37Å; A18-L101 HydrophobicContact CB-CD2 3.97Å |
| 19 | G | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G15 A16 W17 G22 T23 M61 | G15-G19 PolarHBondContact O-N 3.35Å; A16-G19 PolarHBondContact O-N 3.12Å; W17-G19 VanDerWaalsContact C-N 3.29Å; W17-G19 PolarHBondContact O-N 3.03Å; G19-G22 PolarHBondContact O-N 2.83Å; G19-T23 VanDerWaalsContact O-CB 3.31Å; G19-T23 WeakPolarHBondContact O-CB 3.43Å; G19-T23 PolarHBondContact O-N 3.49Å; G19-T23 PolarHBondContact O-OG1 3.02Å; G19-M61 VanDerWaalsContact CA-SD 3.55Å |
| 20 | M | 98.6 | Very high | 98.6 | Very high | 128 Ų | 128 | 56.4 Ų | 56.4 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 172.6 | -71.6 | -173 | -68.4 | 0 | 0 | 111.8 | A16 W17 A18 T23 S24 | A16-M20 WeakPolarHBondContact O-CG 3.46Å; A16-M20 PolarHBondContact O-N 3.06Å; W17-M20 HydrophobicContact CB-CE 4.49Å; W17-M20 WeakPolarHBondContact O-CB 3.26Å; W17-M20 PolarHBondContact O-N 3.17Å; W17-M20 VanDerWaalsContact O-N 3.17Å; A18-M20 VanDerWaalsContact C-N 3.33Å; A18-M20 PolarHBondContact O-N 3.27Å; M20-T23 PolarHBondContact O-N 3.01Å; M20-S24 PolarHBondContact O-N 3.43Å |
| 21 | V | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | W17 A18 T23 S24 L25 I56 L105 | W17-V21 HydrophobicContact CD2-CG2 4.37Å; W17-V21 HydrophobicContact CE3-CG2 4.08Å; W17-V21 HydrophobicContact CH2-CG2 3.74Å; W17-V21 HydrophobicContact CZ2-CG2 4.05Å; W17-V21 HydrophobicContact CZ3-CG2 3.76Å; W17-V21 PolarHBondContact O-N 3.36Å; A18-V21 WeakPolarHBondContact O-CB 3.38Å; A18-V21 PolarHBondContact O-N 3.19Å; A18-V21 VanDerWaalsContact O-N 3.13Å; V21-T23 VanDerWaalsContact C-N 3.31Å; V21-T23 PolarHBondContact O-N 3.17Å; V21-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-OG 2.87Å; V21-L25 WeakPolarHBondContact O-CG 3.39Å; V21-L25 PolarHBondContact O-N 3.41Å; V21-L25 VanDerWaalsContact O-N 3.15Å; V21-I56 HydrophobicContact CG1-CD1 3.94Å; V21-L105 HydrophobicContact CG1-CD2 4.41Å |
| 22 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A18 G19 L25 S26 H53 | A18-G22 PolarHBondContact O-N 2.97Å; G19-G22 PolarHBondContact O-N 2.83Å; G22-L25 PolarHBondContact O-N 3.48Å; G22-S26 PolarHBondContact O-N 3.47Å; G22-H53 PolarHBondContact O-CE1 3.31Å; G22-H53 PolarHBondContact O-ND1 3.5Å |
| 23 | T | 98.5 | Very high | 98.3 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | G19 M20 V21 L25 S26 I27 | G19-T23 VanDerWaalsContact O-CB 3.31Å; G19-T23 WeakPolarHBondContact O-CB 3.43Å; G19-T23 PolarHBondContact O-N 3.49Å; G19-T23 PolarHBondContact O-OG1 3.02Å; M20-T23 PolarHBondContact O-N 3.01Å; V21-T23 VanDerWaalsContact C-N 3.31Å; V21-T23 PolarHBondContact O-N 3.17Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.4Å; T23-S26 WeakPolarHBondContact O-CB 3.24Å; T23-S26 PolarHBondContact O-N 3.35Å; T23-S26 VanDerWaalsContact O-N 3.13Å; T23-I27 HydrophobicContact CG2-CD1 4.47Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 3.43Å |
| 24 | S | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 56.5 Ų | 56.5 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 176 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | M20 V21 S26 I27 L28 | M20-S24 PolarHBondContact O-N 3.43Å; V21-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-OG 2.87Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.44Å; S24-I27 PolarHBondContact O-N 2.87Å; S24-L28 PolarHBondContact O-N 3.35Å; S24-L28 VanDerWaalsContact O-N 3.15Å |
| 25 | L | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 171.5 | -61.9 | 175.7 | 0 | 0 | 0 | 111.8 | V21 G22 T23 I27 L28 I29 I49 A52 H53 I56 | V21-L25 WeakPolarHBondContact O-CG 3.39Å; V21-L25 PolarHBondContact O-N 3.41Å; V21-L25 VanDerWaalsContact O-N 3.15Å; G22-L25 PolarHBondContact O-N 3.48Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.4Å; L25-I27 VanDerWaalsContact C-N 3.28Å; L25-I27 PolarHBondContact O-N 3.25Å; L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 2.85Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.47Å; L25-I49 HydrophobicContact CB-CG2 4.01Å; L25-I49 HydrophobicContact CD2-CG2 4.06Å; L25-A52 HydrophobicContact CD1-CB 3.89Å; L25-H53 HydrophobicContact CB-CB 3.91Å; L25-H53 HydrophobicContact CD1-CB 4.34Å; L25-I56 HydrophobicContact CD1-CD1 3.83Å |
| 26 | S | 98.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | G22 T23 S24 L28 I29 R30 | G22-S26 PolarHBondContact O-N 3.47Å; T23-S26 WeakPolarHBondContact O-CB 3.24Å; T23-S26 PolarHBondContact O-N 3.35Å; T23-S26 VanDerWaalsContact O-N 3.13Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.44Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-I29 PolarHBondContact O-N 3.08Å; S26-R30 VanDerWaalsContact O-CG 3.28Å; S26-R30 WeakPolarHBondContact O-CG 3.32Å; S26-R30 PolarHBondContact O-N 2.93Å |
| 27 | I | 98.4 | Very high | 97.4 | Very high | 112 Ų | 112 | 67.7 Ų | 67.7 | 57% | 0.574 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 178.2 | -68.2 | 167.6 | 0 | 0 | 0 | 109.9 | T23 S24 L25 R30 A31 | T23-I27 HydrophobicContact CG2-CD1 4.47Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 3.43Å; S24-I27 PolarHBondContact O-N 2.87Å; L25-I27 VanDerWaalsContact C-N 3.28Å; L25-I27 PolarHBondContact O-N 3.25Å; I27-R30 PolarHBondContact O-N 2.99Å; I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.42Å |
| 28 | L | 98 | Very high | 97 | Very high | 87 Ų | 87 | 65 Ų | 65 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.3 | -65.6 | 175.6 | 0 | 0 | 0 | 112 | S24 L25 S26 R30 A31 E32 I49 | S24-L28 PolarHBondContact O-N 3.35Å; S24-L28 VanDerWaalsContact O-N 3.15Å; L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 2.85Å; S26-L28 VanDerWaalsContact C-N 3.34Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; L28-A31 PolarHBondContact O-N 3.3Å; L28-E32 PolarHBondContact O-N 3.25Å; L28-I49 HydrophobicContact CB-CG2 4.43Å; L28-I49 HydrophobicContact CD1-CD1 4.39Å |
| 29 | I | 98.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 175.3 | -64.8 | 163.3 | 0 | 0 | 0 | 110.5 | L25 S26 A31 E32 L33 Y46 I49 V50 H53 | L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.47Å; S26-I29 PolarHBondContact O-N 3.08Å; I29-A31 VanDerWaalsContact C-N 3.35Å; I29-E32 PolarHBondContact O-N 2.99Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 3.44Å; I29-L33 VanDerWaalsContact O-N 3.11Å; I29-Y46 HydrophobicContact CB-CE2 4.47Å; I29-Y46 HydrophobicContact CG2-CE2 3.99Å; I29-I49 HydrophobicContact CD1-CG2 4.08Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I29-V50 HydrophobicContact CD1-CB 4.38Å; I29-V50 HydrophobicContact CD1-CG2 3.83Å; I29-V50 HydrophobicContact CG1-CG2 3.9Å; I29-V50 HydrophobicContact CG2-CG2 4.38Å; I29-H53 HydrophobicContact CD1-CB 3.9Å |
| 30 | R | 98.1 | Very high | 96.7 | Very high | 181 Ų | 181 | 72.6 Ų | 72.6 | 68% | 0.683 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -70.8 | -30.7 | -179.5 | -66.4 | -65 | -177.1 | -179.2 | -0.7 | 112.9 | S26 I27 L28 G34 | S26-R30 VanDerWaalsContact O-CG 3.28Å; S26-R30 WeakPolarHBondContact O-CG 3.32Å; S26-R30 PolarHBondContact O-N 2.93Å; I27-R30 PolarHBondContact O-N 2.99Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; R30-G34 PolarHBondContact O-N 3.38Å; R30-G34 VanDerWaalsContact O-N 3.15Å |
| 31 | A | 97.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I27 L28 I29 L33 G34 L39 | I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.42Å; L28-A31 PolarHBondContact O-N 3.3Å; I29-A31 VanDerWaalsContact C-N 3.35Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3.24Å; A31-G34 PolarHBondContact O-N 2.95Å; A31-L39 HydrophobicContact CB-CD2 3.95Å |
| 32 | E | 97.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 71.4 Ų | 71.4 | 10% | 0.103 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 174.2 | -173.5 | 62.3 | -149.3 | 0 | 0 | 111.5 | L28 I29 G34 A38 L39 I40 Y46 | L28-E32 PolarHBondContact O-N 3.25Å; I29-E32 PolarHBondContact O-N 2.99Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 2.75Å; E32-A38 WeakPolarHBondContact OE1-CA 3.29Å; E32-L39 PolarHBondContact OE1-N 2.96Å; E32-L39 WeakPolarHBondContact OE2-CA 3.49Å; E32-L39 VanDerWaalsContact OE2-CB 3.23Å; E32-L39 WeakPolarHBondContact OE2-CB 3.4Å; E32-L39 PolarHBondContact OE2-N 3.35Å; E32-I40 HydrophobicContact CB-CD1 4.14Å; E32-I40 HydrophobicContact CG-CD1 4.16Å; E32-I40 WeakPolarHBondContact OE2-CB 3.35Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.31Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.36Å; E32-I40 PolarHBondContact OE2-N 3.29Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.14Å; E32-Y46 HydrophobicContact CG-CD2 3.81Å; E32-Y46 HydrophobicContact CG-CE2 4.1Å |
| 33 | L | 97.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 77.5 Ų | 77.5 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 6.4 | -178.3 | -62.2 | 178.5 | 0 | 0 | 0 | 114.3 | I29 A31 H35 Y46 | I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 3.44Å; I29-L33 VanDerWaalsContact O-N 3.11Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3.24Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.46Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.35Å; L33-Y46 HydrophobicContact CG-CE2 4.37Å |
| 34 | G | 96.9 | Very high | 96.2 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -28.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R30 A31 E32 | R30-G34 PolarHBondContact O-N 3.38Å; R30-G34 VanDerWaalsContact O-N 3.15Å; A31-G34 PolarHBondContact O-N 2.95Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 2.75Å |
| 35 | H | 93.8 | Very high | 96.2 | Very high | 117 Ų | 117 | 77.7 Ų | 77.7 | 54% | 0.542 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -153.4 | 157.5 | 174.4 | 54.9 | 68.4 | 0 | 0 | 0 | 109.9 | L33 | L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.46Å |
| 36 | P | 94.1 | Very high | 96.2 | Very high | 132 Ų | 132 | 79 Ų | 79 | 86% | 0.857 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -56.5 | 145.5 | 170.9 | -22.7 | 33.7 | 0 | 0 | 0 | 111.8 | ||
| 37 | G | 91.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 80.4 Ų | 80.4 | 64% | 0.639 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 120.6 | -176.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 38 | A | 90.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 75.7 Ų | 75.7 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | trans | -118.6 | 120.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | E32 | E32-A38 WeakPolarHBondContact OE1-CA 3.29Š| ||
| 39 | L | 93.8 | Very high | 96.2 | Very high | 108 Ų | 108 | 72.7 Ų | 72.7 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -92.7 | -45.6 | 174.1 | 170.6 | 74.9 | 0 | 0 | 0 | 110.6 | A31 E32 | A31-L39 HydrophobicContact CB-CD2 3.95Å; E32-L39 PolarHBondContact OE1-N 2.96Å; E32-L39 WeakPolarHBondContact OE2-CA 3.49Å; E32-L39 VanDerWaalsContact OE2-CB 3.23Å; E32-L39 WeakPolarHBondContact OE2-CB 3.4Å; E32-L39 PolarHBondContact OE2-N 3.35Å |
| 40 | I | 95.4 | Very high | 96.2 | Very high | 59 Ų | 59 | 74 Ų | 74 | 30% | 0.303 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -74 | -39.4 | 175.1 | -70 | 162.7 | 0 | 0 | 0 | 110.5 | E32 D42 I45 Y46 I49 | E32-I40 HydrophobicContact CB-CD1 4.14Å; E32-I40 HydrophobicContact CG-CD1 4.16Å; E32-I40 WeakPolarHBondContact OE2-CB 3.35Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.31Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.36Å; E32-I40 PolarHBondContact OE2-N 3.29Å; I40-D42 VanDerWaalsContact C-N 3.28Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 2.84Å; I40-I45 HydrophobicContact CG2-CB 3.99Å; I40-I45 HydrophobicContact CG2-CG2 3.86Å; I40-Y46 HydrophobicContact CD1-CD2 4.32Å; I40-I49 HydrophobicContact CD1-CD1 4.1Å |
| 41 | G | 95.2 | Very high | 96.2 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 64% | 0.639 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 77.6 | 7.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 42 | D | 95.9 | Very high | 96.3 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | trans | -145.5 | 111.9 | 178.4 | -173 | -33.3 | 0 | 0 | 0 | 110.6 | I40 Q44 I45 Y46 | I40-D42 VanDerWaalsContact C-N 3.28Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 2.84Å; D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 3.09Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.29Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.41Å; D42-Q44 PolarHBondContact OD1-N 3.44Å; D42-I45 HydrophobicContact CB-CB 4.14Å; D42-I45 HydrophobicContact CB-CD1 3.89Å; D42-I45 HydrophobicContact CB-CG1 3.99Å; D42-I45 PolarHBondContact O-N 2.84Å; D42-I45 PolarHBondContact OD1-N 3.39Å; D42-Y46 PolarHBondContact O-N 3.3Å | ||
| 43 | D | 95.9 | Very high | 96.4 | Very high | 128 Ų | 128 | 64.7 Ų | 64.7 | 68% | 0.684 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.3 | -30.2 | -178.4 | -64.4 | -18.7 | 0 | 0 | 0 | 112.6 | Y46 N47 | D43-Y46 WeakPolarHBondContact O-CB 3.35Å; D43-Y46 PolarHBondContact O-N 3.27Å; D43-N47 VanDerWaalsContact O-CG 3.29Å; D43-N47 PolarHBondContact O-N 2.65Å; D43-N47 PolarHBondContact O-ND2 3.33Å |
| 44 | Q | 97.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 23% | 0.229 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.3 | -42.9 | 178 | 176.4 | 63.2 | 9.4 | 0 | 0 | 110.5 | D42 Y46 N47 V48 N112 H130 | D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 3.09Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.29Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.41Å; D42-Q44 PolarHBondContact OD1-N 3.44Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 3.16Å; Q44-N47 PolarHBondContact O-N 3.29Å; Q44-N47 VanDerWaalsContact O-N 3.14Å; Q44-V48 VanDerWaalsContact O-CG2 3.3Å; Q44-V48 WeakPolarHBondContact O-CG2 3.28Å; Q44-V48 PolarHBondContact O-N 3.16Å; Q44-N112 HydrophobicContact CG-CB 4.24Å; Q44-N112 WeakPolarHBondContact CG-O 3.21Å; Q44-N112 PolarHBondContact NE2-O 3.22Å; Q44-H130 PolarHBondContact NE2-NE2 3.01Å; Q44-H130 VanDerWaalsContact NE2-NE2 3.12Å |
| 45 | I | 97.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 58 Ų | 58 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 174.5 | -66.7 | 179.2 | 0 | 0 | 0 | 110.1 | I40 D42 N47 V48 I49 | I40-I45 HydrophobicContact CG2-CB 3.99Å; I40-I45 HydrophobicContact CG2-CG2 3.86Å; D42-I45 HydrophobicContact CB-CB 4.14Å; D42-I45 HydrophobicContact CB-CD1 3.89Å; D42-I45 HydrophobicContact CB-CG1 3.99Å; D42-I45 PolarHBondContact O-N 2.84Å; D42-I45 PolarHBondContact OD1-N 3.39Å; I45-N47 PolarHBondContact O-N 3.47Å; I45-V48 PolarHBondContact O-N 3.39Å; I45-I49 HydrophobicContact CG2-CD1 3.89Å; I45-I49 HydrophobicContact CG2-CG1 4.43Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.26Å; I45-I49 PolarHBondContact O-N 3.01Å |
| 46 | Y | 97.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 174.1 | 175.5 | -94.6 | 0 | 0 | 0 | 111.9 | I29 E32 L33 I40 D42 D43 Q44 V48 I49 V50 | I29-Y46 HydrophobicContact CB-CE2 4.47Å; I29-Y46 HydrophobicContact CG2-CE2 3.99Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.14Å; E32-Y46 HydrophobicContact CG-CD2 3.81Å; E32-Y46 HydrophobicContact CG-CE2 4.1Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.35Å; L33-Y46 HydrophobicContact CG-CE2 4.37Å; I40-Y46 HydrophobicContact CD1-CD2 4.32Å; D42-Y46 PolarHBondContact O-N 3.3Å; D43-Y46 WeakPolarHBondContact O-CB 3.35Å; D43-Y46 PolarHBondContact O-N 3.27Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 3.16Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 2.89Å; Y46-I49 PolarHBondContact O-N 3.09Å; Y46-V50 HydrophobicContact CD1-CG2 4.14Å; Y46-V50 HydrophobicContact CE1-CG2 3.69Å; Y46-V50 HydrophobicContact CE2-CG2 4.15Å; Y46-V50 WeakPolarHBondContact O-CG2 3.16Å; Y46-V50 PolarHBondContact O-N 2.84Å |
| 47 | N | 98.4 | Very high | 96.9 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 178.1 | -69.7 | -32.1 | 0 | 0 | 0 | 113 | D43 Q44 I45 V50 T51 | D43-N47 VanDerWaalsContact O-CG 3.29Å; D43-N47 PolarHBondContact O-N 2.65Å; D43-N47 PolarHBondContact O-ND2 3.33Å; Q44-N47 PolarHBondContact O-N 3.29Å; Q44-N47 VanDerWaalsContact O-N 3.14Å; I45-N47 PolarHBondContact O-N 3.47Å; N47-V50 PolarHBondContact O-N 3.15Å; N47-T51 WeakPolarHBondContact O-CB 3.39Å; N47-T51 PolarHBondContact O-N 2.68Å; N47-T51 PolarHBondContact O-OG1 2.76Å |
| 48 | V | 98.6 | Very high | 97.2 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | Q44 I45 Y46 T51 A52 N112 | Q44-V48 VanDerWaalsContact O-CG2 3.3Å; Q44-V48 WeakPolarHBondContact O-CG2 3.28Å; Q44-V48 PolarHBondContact O-N 3.16Å; I45-V48 PolarHBondContact O-N 3.39Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 2.89Å; V48-T51 PolarHBondContact O-N 2.89Å; V48-A52 WeakPolarHBondContact O-CB 3.47Å; V48-A52 PolarHBondContact O-N 3.33Å; V48-N112 WeakPolarHBondContact CG2-O 3.24Å |
| 49 | I | 98.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.4 | -68.3 | 168.8 | 0 | 0 | 0 | 110.6 | L25 L28 I29 I40 I45 Y46 T51 A52 H53 | L25-I49 HydrophobicContact CB-CG2 4.01Å; L25-I49 HydrophobicContact CD2-CG2 4.06Å; L28-I49 HydrophobicContact CB-CG2 4.43Å; L28-I49 HydrophobicContact CD1-CD1 4.39Å; I29-I49 HydrophobicContact CD1-CG2 4.08Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I40-I49 HydrophobicContact CD1-CD1 4.1Å; I45-I49 HydrophobicContact CG2-CD1 3.89Å; I45-I49 HydrophobicContact CG2-CG1 4.43Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.26Å; I45-I49 PolarHBondContact O-N 3.01Å; Y46-I49 PolarHBondContact O-N 3.09Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.43Å; I49-A52 PolarHBondContact O-N 2.93Å; I49-H53 VanDerWaalsContact O-CB 3.24Å; I49-H53 WeakPolarHBondContact O-CB 3.21Å; I49-H53 PolarHBondContact O-N 3.27Å |
| 50 | V | 98.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 39.6 Ų | 39.6 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | I29 Y46 N47 A54 | I29-V50 HydrophobicContact CD1-CB 4.38Å; I29-V50 HydrophobicContact CD1-CG2 3.83Å; I29-V50 HydrophobicContact CG1-CG2 3.9Å; I29-V50 HydrophobicContact CG2-CG2 4.38Å; Y46-V50 HydrophobicContact CD1-CG2 4.14Å; Y46-V50 HydrophobicContact CE1-CG2 3.69Å; Y46-V50 HydrophobicContact CE2-CG2 4.15Å; Y46-V50 WeakPolarHBondContact O-CG2 3.16Å; Y46-V50 PolarHBondContact O-N 2.84Å; N47-V50 PolarHBondContact O-N 3.15Å; V50-A54 PolarHBondContact O-N 2.87Å; V50-A54 VanDerWaalsContact O-N 3.11Å |
| 51 | T | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -48.9 | 180 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | N47 V48 I49 A54 F55 A114 G117 | N47-T51 WeakPolarHBondContact O-CB 3.39Å; N47-T51 PolarHBondContact O-N 2.68Å; N47-T51 PolarHBondContact O-OG1 2.76Å; V48-T51 PolarHBondContact O-N 2.89Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.43Å; T51-A54 PolarHBondContact O-N 3.17Å; T51-F55 HydrophobicContact CG2-CD2 3.78Å; T51-F55 HydrophobicContact CG2-CE2 3.45Å; T51-F55 VanDerWaalsContact CG2-CE2 3.45Å; T51-F55 HydrophobicContact CG2-CZ 4.46Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.02Å; T51-F55 PolarHBondContact O-N 3.37Å; T51-F55 VanDerWaalsContact O-N 3.15Å; T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 3.09Å; T51-A114 VanDerWaalsContact CG2-O 3.32Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.04Å; T51-G117 VanDerWaalsContact OG1-CA 3.26Å; T51-G117 WeakPolarHBondContact OG1-CA 3.35Å; T51-G117 PolarHBondContact OG1-N 3.26Å |
| 52 | A | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L25 V48 I49 A54 F55 I56 | L25-A52 HydrophobicContact CD1-CB 3.89Å; V48-A52 WeakPolarHBondContact O-CB 3.47Å; V48-A52 PolarHBondContact O-N 3.33Å; I49-A52 PolarHBondContact O-N 2.93Å; A52-A54 PolarHBondContact O-N 3.27Å; A52-F55 PolarHBondContact O-N 2.89Å; A52-I56 WeakPolarHBondContact O-CB 3.21Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 3.35Å |
| 53 | H | 98.8 | Very high | 98.2 | Very high | 41 Ų | 41 | 36.5 Ų | 36.5 | 19% | 0.19 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.8 | -53.5 | 175.5 | 169.1 | 68.9 | 0 | 0 | 0 | 111.3 | G22 L25 I29 I49 F55 I56 M57 | G22-H53 PolarHBondContact O-CE1 3.31Å; G22-H53 PolarHBondContact O-ND1 3.5Å; L25-H53 HydrophobicContact CB-CB 3.91Å; L25-H53 HydrophobicContact CD1-CB 4.34Å; I29-H53 HydrophobicContact CD1-CB 3.9Å; I49-H53 VanDerWaalsContact O-CB 3.24Å; I49-H53 WeakPolarHBondContact O-CB 3.21Å; I49-H53 PolarHBondContact O-N 3.27Å; H53-F55 PolarHBondContact O-N 2.86Å; H53-I56 PolarHBondContact O-N 3.19Å; H53-M57 WeakPolarHBondContact CE1-CG 3.46Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.35Å; H53-M57 PolarHBondContact O-N 3.07Å |
| 54 | A | 98.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 16% | 0.157 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V50 T51 A52 M57 I58 W118 | V50-A54 PolarHBondContact O-N 2.87Å; V50-A54 VanDerWaalsContact O-N 3.11Å; T51-A54 PolarHBondContact O-N 3.17Å; A52-A54 PolarHBondContact O-N 3.27Å; A54-M57 PolarHBondContact O-N 3.41Å; A54-I58 PolarHBondContact O-N 3.44Å; A54-I58 VanDerWaalsContact O-N 3.15Å; A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å |
| 55 | F | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.6 | -73.5 | -45 | 0 | 0 | 0 | 112.8 | T51 A52 H53 M57 F59 F60 L104 W118 V120 L142 | T51-F55 HydrophobicContact CG2-CD2 3.78Å; T51-F55 HydrophobicContact CG2-CE2 3.45Å; T51-F55 VanDerWaalsContact CG2-CE2 3.45Å; T51-F55 HydrophobicContact CG2-CZ 4.46Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.02Å; T51-F55 PolarHBondContact O-N 3.37Å; T51-F55 VanDerWaalsContact O-N 3.15Å; A52-F55 PolarHBondContact O-N 2.89Å; H53-F55 PolarHBondContact O-N 2.86Å; F55-M57 PolarHBondContact O-N 3.47Å; F55-F59 AromaticContact CD1-CD2 3.8Å; F55-F59 HydrophobicContact CD1-CD2 3.8Å; F55-F59 AromaticContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CE1-CE2 4.16Å; F55-F59 PolarHBondContact O-N 3.38Å; F55-F60 WeakPolarHBondContact O-CD2 3.26Å; F55-L104 HydrophobicContact CB-CD1 4.16Å; F55-L104 HydrophobicContact CB-CD2 3.65Å; F55-L104 HydrophobicContact CD2-CD1 3.81Å; F55-L104 HydrophobicContact CG-CD1 4.34Å; F55-W118 HydrophobicContact CD1-CB 4.44Å; F55-W118 HydrophobicContact CE1-CB 4.14Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.33Å; F55-W118 WeakPolarHBondContact CZ-O 3.24Å; F55-V120 HydrophobicContact CE2-CG2 4.22Å; F55-V120 HydrophobicContact CZ-CG2 3.57Å; F55-L142 HydrophobicContact CD1-CD1 4.48Å; F55-L142 HydrophobicContact CD1-CD2 3.76Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.84Å; F55-L142 HydrophobicContact CE1-CG 4.34Å; F55-L142 HydrophobicContact CG-CD2 4.39Å; F55-L142 HydrophobicContact CZ-CD1 3.8Å |
| 56 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -61 | -47 | 178.4 | -70.8 | 170 | 0 | 0 | 0 | 110.8 | A18 V21 L25 A52 H53 I58 F60 M61 L101 L104 L105 | A18-I56 HydrophobicContact CB-CG2 4.3Å; A18-I56 WeakPolarHBondContact O-CG2 3.35Å; V21-I56 HydrophobicContact CG1-CD1 3.94Å; L25-I56 HydrophobicContact CD1-CD1 3.83Å; A52-I56 WeakPolarHBondContact O-CB 3.21Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 3.35Å; H53-I56 PolarHBondContact O-N 3.19Å; I56-I58 PolarHBondContact O-N 3.41Å; I56-F60 CarbonylContact O-C 3.34Å; I56-F60 WeakPolarHBondContact O-CA 3.22Å; I56-F60 WeakPolarHBondContact O-CB 3.28Å; I56-F60 PolarHBondContact O-N 3.21Å; I56-F60 VanDerWaalsContact O-N 3.07Å; I56-M61 PolarHBondContact O-N 3.26Å; I56-L101 HydrophobicContact CD1-CD1 4.42Å; I56-L101 HydrophobicContact CG1-CD1 3.98Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.68Å; I56-L105 HydrophobicContact CD1-CD2 4.09Å |
| 57 | M | 98.6 | Very high | 98.3 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 21% | 0.207 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -65.9 | -41.6 | -176.2 | -65.8 | -56.4 | -77 | 0 | 0 | 112.3 | H53 A54 F55 M61 V62 | H53-M57 WeakPolarHBondContact CE1-CG 3.46Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.35Å; H53-M57 PolarHBondContact O-N 3.07Å; A54-M57 PolarHBondContact O-N 3.41Å; F55-M57 PolarHBondContact O-N 3.47Å; M57-M61 HydrophobicContact CE-CE 3.36Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.4Å; M57-M61 HydrophobicContact SD-CE 4.2Å; M57-M61 HydrophobicContact SD-SD 3.94Å; M57-V62 WeakPolarHBondContact O-CG2 3.47Å; M57-V62 PolarHBondContact O-N 3.15Å |
| 58 | I | 97.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 26.7 Ų | 26.7 | 25% | 0.246 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -78.5 | -63.6 | -178 | -62.1 | 172 | 0 | 0 | 0 | 110.4 | A54 I56 M63 W118 E234 | A54-I58 PolarHBondContact O-N 3.44Å; A54-I58 VanDerWaalsContact O-N 3.15Å; I56-I58 PolarHBondContact O-N 3.41Å; I58-M63 WeakPolarHBondContact O-CB 3.34Å; I58-M63 WeakPolarHBondContact O-CG 3.42Å; I58-M63 PolarHBondContact O-N 2.95Å; I58-M63 VanDerWaalsContact O-N 3.07Å; I58-W118 HydrophobicContact CD1-CE3 4.2Å; I58-W118 HydrophobicContact CD1-CZ3 4.2Å; I58-E234 HydrophobicContact CG2-CG 4.46Å |
| 59 | F | 97.9 | Very high | 98.2 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 7% | 0.066 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -83.7 | -20.5 | -167.8 | -64 | -70.2 | 0 | 0 | 0 | 114.2 | F55 P64 L142 F230 | F55-F59 AromaticContact CD1-CD2 3.8Å; F55-F59 HydrophobicContact CD1-CD2 3.8Å; F55-F59 AromaticContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CE1-CE2 4.16Å; F55-F59 PolarHBondContact O-N 3.38Å; F59-P64 VanDerWaalsContact O-CD 3.25Å; F59-P64 WeakPolarHBondContact O-CD 3.49Å; F59-P64 WeakPolarHBondContact O-CG 3.27Å; F59-L142 HydrophobicContact CD2-CD2 3.78Å; F59-L142 HydrophobicContact CE2-CD2 3.87Å; F59-L142 HydrophobicContact CG-CD2 4.34Å; F59-L142 HydrophobicContact CZ-CD2 4.5Å; F59-F230 AromaticContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CE1 4.1Å; F59-F230 AromaticContact CZ-CZ 3.8Å; F59-F230 HydrophobicContact CZ-CZ 3.8Å |
| 60 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -116.1 | -14.6 | -174.7 | -60.3 | -78.6 | 0 | 0 | 0 | 114.2 | F14 G15 A18 F55 I56 P64 A100 L101 L104 S141 A145 | F14-F60 HydrophobicContact CE1-CB 4.27Å; F14-F60 AromaticContact CE1-CD1 3.99Å; F14-F60 HydrophobicContact CE1-CD1 3.99Å; F14-F60 AromaticContact CZ-CD1 3.81Å; F14-F60 HydrophobicContact CZ-CD1 3.81Å; G15-F60 WeakPolarHBondContact CA-O 3.17Å; A18-F60 HydrophobicContact CB-CB 3.92Å; A18-F60 WeakPolarHBondContact CB-O 3.37Å; F55-F60 WeakPolarHBondContact O-CD2 3.26Å; I56-F60 CarbonylContact O-C 3.34Å; I56-F60 WeakPolarHBondContact O-CA 3.22Å; I56-F60 WeakPolarHBondContact O-CB 3.28Å; I56-F60 PolarHBondContact O-N 3.21Å; I56-F60 VanDerWaalsContact O-N 3.07Å; F60-P64 WeakPolarHBondContact O-CG 3.49Å; F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.88Å; F60-L101 HydrophobicContact CB-CD1 4.29Å; F60-L101 HydrophobicContact CD1-CB 3.75Å; F60-L101 HydrophobicContact CD1-CD1 4.19Å; F60-L101 HydrophobicContact CD1-CG 4.41Å; F60-L101 HydrophobicContact CD2-CD1 4.19Å; F60-L101 HydrophobicContact CE1-CB 3.77Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.94Å; F60-L101 HydrophobicContact CZ-CB 4.44Å; F60-L104 HydrophobicContact CD2-CD2 4Å; F60-L104 HydrophobicContact CE2-CD2 3.71Å; F60-S141 WeakPolarHBondContact CZ-OG 3.11Å; F60-A145 HydrophobicContact CE1-CB 4.36Å; F60-A145 HydrophobicContact CZ-CB 4.12Å |
| 61 | M | 98.5 | Very high | 98.2 | Very high | 40 Ų | 40 | 26.6 Ų | 26.6 | 20% | 0.197 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -112.5 | -69.9 | 173.5 | -174.8 | -163.8 | 76.6 | 0 | 0 | 112.1 | G19 I56 M57 M63 I65 | G19-M61 VanDerWaalsContact CA-SD 3.55Å; I56-M61 PolarHBondContact O-N 3.26Å; M57-M61 HydrophobicContact CE-CE 3.36Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.4Å; M57-M61 HydrophobicContact SD-CE 4.2Å; M57-M61 HydrophobicContact SD-SD 3.94Å; M61-M63 PolarHBondContact O-N 2.89Å; M61-I65 HydrophobicContact CG-CD1 3.8Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.48Å; M61-I65 PolarHBondContact O-N 3.02Å |
| 62 | V | 98.3 | Very high | 98.2 | Very high | 69 Ų | 69 | 26.5 Ų | 26.5 | 42% | 0.418 | 14% | 0.138 | S | C | . | . | I | π-helix | trans | -59.4 | -54.4 | -172.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | M57 I65 M66 | M57-V62 WeakPolarHBondContact O-CG2 3.47Å; M57-V62 PolarHBondContact O-N 3.15Å; V62-I65 PolarHBondContact O-N 3.49Å; V62-M66 HydrophobicContact CG1-CG 4.25Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.44Å; V62-M66 WeakPolarHBondContact O-CG 3.38Å; V62-M66 PolarHBondContact O-N 2.91Å |
| 63 | M | 97.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -48.8 | -177 | -74.5 | -69.1 | -83.7 | 0 | 0 | 112.5 | I58 M61 I65 I67 G68 L187 E234 | I58-M63 WeakPolarHBondContact O-CB 3.34Å; I58-M63 WeakPolarHBondContact O-CG 3.42Å; I58-M63 PolarHBondContact O-N 2.95Å; I58-M63 VanDerWaalsContact O-N 3.07Å; M61-M63 PolarHBondContact O-N 2.89Å; M63-I65 PolarHBondContact O-N 2.71Å; M63-I67 WeakPolarHBondContact O-CB 3.33Å; M63-I67 PolarHBondContact O-N 3.23Å; M63-I67 HydrophobicContact SD-CG1 4.11Å; M63-G68 PolarHBondContact O-N 3.24Å; M63-G68 VanDerWaalsContact O-N 3.17Å; M63-L187 HydrophobicContact CE-CD1 3.65Å; M63-L187 HydrophobicContact CE-CD2 3.38Å; M63-L187 HydrophobicContact CE-CG 4.13Å; M63-E234 WeakPolarHBondContact CG-OE1 3.45Å |
| 64 | P | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -60 | -38.5 | 173.7 | -33.2 | 42.4 | 0 | 0 | 0 | 114.6 | Y11 F14 F59 F60 G68 G69 L97 | Y11-P64 HydrophobicContact CD1-CB 4Å; F14-P64 HydrophobicContact CD1-CB 4.2Å; F14-P64 HydrophobicContact CD1-CG 4.37Å; F14-P64 HydrophobicContact CE1-CG 4.26Å; F59-P64 VanDerWaalsContact O-CD 3.25Å; F59-P64 WeakPolarHBondContact O-CD 3.49Å; F59-P64 WeakPolarHBondContact O-CG 3.27Å; F60-P64 WeakPolarHBondContact O-CG 3.49Å; P64-G68 CarbonylContact O-C 3.31Å; P64-G68 VanDerWaalsContact O-C 3.31Å; P64-G68 WeakPolarHBondContact O-CA 3.43Å; P64-G68 PolarHBondContact O-N 3.36Å; P64-G69 PolarHBondContact O-N 2.76Å; P64-L97 HydrophobicContact CB-CD1 4.11Å; P64-L97 HydrophobicContact CG-CD1 3.74Å |
| 65 | I | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 20% | 0.2 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -74.2 | -50.3 | -179.6 | -69.2 | 174.2 | 0 | 0 | 0 | 111 | F12 M61 V62 M63 G69 F70 | F12-I65 HydrophobicContact CD1-CG2 4.13Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; M61-I65 HydrophobicContact CG-CD1 3.8Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.48Å; M61-I65 PolarHBondContact O-N 3.02Å; V62-I65 PolarHBondContact O-N 3.49Å; M63-I65 PolarHBondContact O-N 2.71Å; I65-G69 WeakPolarHBondContact O-CA 3.27Å; I65-G69 PolarHBondContact O-N 3.46Å; I65-F70 HydrophobicContact CG2-CD2 4.23Å; I65-F70 HydrophobicContact CG2-CE2 4.02Å; I65-F70 WeakPolarHBondContact O-CD2 3.28Å; I65-F70 PolarHBondContact O-N 2.85Å |
| 66 | M | 97.7 | Very high | 98.2 | Very high | 95 Ų | 95 | 29.7 Ų | 29.7 | 47% | 0.468 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -76.3 | -50.2 | -170.6 | -64.5 | -55.5 | -70.2 | 0 | 0 | 112.2 | V62 F70 G71 | V62-M66 HydrophobicContact CG1-CG 4.25Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.44Å; V62-M66 WeakPolarHBondContact O-CG 3.38Å; V62-M66 PolarHBondContact O-N 2.91Å; M66-F70 HydrophobicContact SD-CD2 4Å; M66-F70 HydrophobicContact SD-CE2 4.2Å; M66-G71 PolarHBondContact O-N 2.72Å |
| 67 | I | 97.1 | Very high | 98.2 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 14% | 0.138 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -91.3 | -45.5 | -177.1 | -55.6 | -55.8 | 0 | 0 | 0 | 110.3 | M63 G71 F156 T183 | M63-I67 WeakPolarHBondContact O-CB 3.33Å; M63-I67 PolarHBondContact O-N 3.23Å; M63-I67 HydrophobicContact SD-CG1 4.11Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.33Å; I67-G71 PolarHBondContact O-N 2.82Å; I67-F156 HydrophobicContact CG2-CD2 4.26Å; I67-F156 HydrophobicContact CG2-CE2 3.81Å; I67-F156 WeakPolarHBondContact O-CE2 3.44Å; I67-F156 VanDerWaalsContact O-CZ 3.27Å; I67-F156 WeakPolarHBondContact O-CZ 3.36Å; I67-T183 HydrophobicContact CD1-CG2 3.65Å; I67-T183 HydrophobicContact CG1-CG2 4.06Å |
| 68 | G | 97.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -67.3 | -58.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y11 M63 P64 N72 | Y11-G68 WeakPolarHBondContact CD2-O 3.34Å; M63-G68 PolarHBondContact O-N 3.24Å; M63-G68 VanDerWaalsContact O-N 3.17Å; P64-G68 CarbonylContact O-C 3.31Å; P64-G68 VanDerWaalsContact O-C 3.31Å; P64-G68 WeakPolarHBondContact O-CA 3.43Å; P64-G68 PolarHBondContact O-N 3.36Å; G68-N72 WeakPolarHBondContact O-CB 3.45Å; G68-N72 PolarHBondContact O-N 2.99Å; G68-N72 PolarHBondContact O-ND2 3.13Å |
| 69 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -73.7 | -68.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P64 I65 G71 N72 W73 | P64-G69 PolarHBondContact O-N 2.76Å; I65-G69 WeakPolarHBondContact O-CA 3.27Å; I65-G69 PolarHBondContact O-N 3.46Å; G69-G71 PolarHBondContact O-N 3.44Å; G69-N72 PolarHBondContact O-N 2.76Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.33Å; G69-W73 PolarHBondContact O-N 3.17Å |
| 70 | F | 98.8 | Very high | 98.2 | Very high | 81 Ų | 81 | 34.3 Ų | 34.3 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -63.6 | -41.4 | -178.6 | -74.2 | -65.4 | 0 | 0 | 0 | 112.1 | F12 I65 M66 W73 L74 F176 | F12-F70 HydrophobicContact CE1-CD1 4.1Å; F12-F70 AromaticContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CE1 4.14Å; F12-F70 AromaticContact CE1-CE2 3.8Å; F12-F70 HydrophobicContact CE1-CE2 3.8Å; F12-F70 AromaticContact CE1-CG 3.91Å; F12-F70 HydrophobicContact CE1-CG 3.91Å; F12-F70 AromaticContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CZ-CB 4.31Å; F12-F70 AromaticContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD2 4.06Å; F12-F70 AromaticContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE2 4.28Å; F12-F70 AromaticContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CZ 4.17Å; F12-F70 VanDerWaalsContact CZ-N 3.27Å; I65-F70 HydrophobicContact CG2-CD2 4.23Å; I65-F70 HydrophobicContact CG2-CE2 4.02Å; I65-F70 WeakPolarHBondContact O-CD2 3.28Å; I65-F70 PolarHBondContact O-N 2.85Å; M66-F70 HydrophobicContact SD-CD2 4Å; M66-F70 HydrophobicContact SD-CE2 4.2Å; F70-W73 PolarHBondContact O-N 2.99Å; F70-L74 HydrophobicContact CB-CD1 4.32Å; F70-L74 HydrophobicContact CD1-CD1 3.77Å; F70-L74 HydrophobicContact CG-CD1 4.49Å; F70-L74 VanDerWaalsContact O-CB 3.3Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.45Å; F70-F176 HydrophobicContact CB-CE2 4.32Å; F70-F176 HydrophobicContact CB-CZ 3.74Å |
| 71 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -56.5 | -54.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M66 I67 G69 W73 V75 F156 | M66-G71 PolarHBondContact O-N 2.72Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.33Å; I67-G71 PolarHBondContact O-N 2.82Å; G69-G71 PolarHBondContact O-N 3.44Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.29Å; G71-V75 WeakPolarHBondContact O-CB 3.14Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.47Å; G71-V75 PolarHBondContact O-N 3.4Å; G71-F156 WeakPolarHBondContact O-CE1 3.24Å |
| 72 | N | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 179.9 | -80.2 | -69.1 | 0 | 0 | 0 | 113 | H4 G68 G69 P76 N90 | H4-N72 PolarHBondContact ND1-O 3.47Å; G68-N72 WeakPolarHBondContact O-CB 3.45Å; G68-N72 PolarHBondContact O-N 2.99Å; G68-N72 PolarHBondContact O-ND2 3.13Å; G69-N72 PolarHBondContact O-N 2.76Å; N72-P76 WeakPolarHBondContact O-CD 3.15Å; N72-N90 PolarHBondContact ND2-OD1 3.39Å; N72-N90 PolarHBondContact OD1-ND2 3.15Å; N72-N90 PolarHBondContact OD1-OD1 2.99Å |
| 73 | W | 98.2 | Very high | 98 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 33% | 0.333 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.1 | -46.6 | -177.6 | -165.3 | -85.9 | 0 | 0 | 0 | 112.3 | K5 T9 F12 G69 F70 G71 L77 | K5-W73 HydrophobicContact CB-CD2 4.47Å; K5-W73 HydrophobicContact CB-CE3 3.83Å; K5-W73 HydrophobicContact CB-CH2 4.02Å; K5-W73 HydrophobicContact CB-CZ3 3.54Å; K5-W73 HydrophobicContact CG-CE3 4.35Å; K5-W73 HydrophobicContact CG-CZ3 4.36Å; K5-W73 VanDerWaalsContact O-CE3 3.23Å; K5-W73 WeakPolarHBondContact O-CZ3 3.25Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.44Å; F12-W73 HydrophobicContact CE2-CB 4.39Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.33Å; G69-W73 PolarHBondContact O-N 3.17Å; F70-W73 PolarHBondContact O-N 2.99Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.29Å; W73-L77 VanDerWaalsContact O-CD1 3.26Å; W73-L77 WeakPolarHBondContact O-CD1 3.43Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å |
| 74 | L | 98.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 35.5 Ų | 35.5 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -98.2 | -34.4 | -166.2 | -62.3 | 173.1 | 0 | 0 | 0 | 113.8 | F70 L77 M78 F176 | F70-L74 HydrophobicContact CB-CD1 4.32Å; F70-L74 HydrophobicContact CD1-CD1 3.77Å; F70-L74 HydrophobicContact CG-CD1 4.49Å; F70-L74 VanDerWaalsContact O-CB 3.3Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.45Å; L74-L77 PolarHBondContact O-N 2.86Å; L74-M78 HydrophobicContact CB-CE 4.04Å; L74-M78 HydrophobicContact CB-SD 4.29Å; L74-M78 HydrophobicContact CD1-CE 4.19Å; L74-M78 HydrophobicContact CD2-CE 4.41Å; L74-M78 HydrophobicContact CG-CE 4.46Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 3.44Å; L74-F176 HydrophobicContact CB-CD1 4.23Å; L74-F176 HydrophobicContact CB-CE1 3.8Å; L74-F176 HydrophobicContact CD1-CE1 4.11Å; L74-F176 HydrophobicContact CD1-CZ 4.37Å |
| 75 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | -173.1 | 171 | 0 | 0 | 0 | 0 | 112.1 | G71 L77 M78 L79 F156 V160 F176 V177 V180 | G71-V75 WeakPolarHBondContact O-CB 3.14Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.47Å; G71-V75 PolarHBondContact O-N 3.4Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 3.17Å; V75-M78 PolarHBondContact O-N 3.39Å; V75-L79 HydrophobicContact CG1-CD1 3.95Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 3.05Å; V75-L79 VanDerWaalsContact O-N 3.12Å; V75-F156 HydrophobicContact CB-CD1 4.48Å; V75-F156 HydrophobicContact CB-CE1 4.38Å; V75-F156 HydrophobicContact CG1-CD1 4.46Å; V75-F156 HydrophobicContact CG2-CD1 4.4Å; V75-F156 HydrophobicContact CG2-CE1 4.3Å; V75-V160 HydrophobicContact CG1-CG2 3.78Å; V75-F176 HydrophobicContact CG2-CE1 4.07Å; V75-V177 HydrophobicContact CG1-CG1 4.33Å; V75-V180 HydrophobicContact CG2-CB 4.12Å; V75-V180 HydrophobicContact CG2-CG1 4.03Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å |
| 76 | P | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.7 | -27.5 | 38.3 | 0 | 0 | 0 | 112.6 | H4 N72 M78 L79 G80 A81 M84 | H4-P76 HydrophobicContact CB-CG 4.33Å; N72-P76 WeakPolarHBondContact O-CD 3.15Å; P76-M78 PolarHBondContact O-N 3.42Å; P76-L79 PolarHBondContact O-N 2.83Å; P76-G80 PolarHBondContact O-N 2.88Å; P76-A81 HydrophobicContact CB-CB 4.19Å; P76-A81 PolarHBondContact O-N 2.84Å; P76-M84 HydrophobicContact CG-CG 4.1Å; P76-M84 HydrophobicContact CG-SD 3.4Å; P76-M84 WeakPolarHBondContact CG-SD 3.25Å |
| 77 | L | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 36 Ų | 36 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.6 | -44.9 | -179.7 | -62.4 | -179.4 | 0 | 0 | 0 | 112.2 | W73 L74 V75 L79 G80 | W73-L77 VanDerWaalsContact O-CD1 3.26Å; W73-L77 WeakPolarHBondContact O-CD1 3.43Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å; L74-L77 PolarHBondContact O-N 2.86Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 3.17Å; L77-L79 PolarHBondContact O-N 3.46Å; L77-G80 PolarHBondContact O-N 3.46Å; L77-G80 VanDerWaalsContact O-N 3.17Å |
| 78 | M | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 34% | 0.335 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.3 | -23.7 | 180 | -74.9 | -177.3 | 179.1 | 0 | 0 | 113.1 | L74 V75 P76 P174 F176 V177 | L74-M78 HydrophobicContact CB-CE 4.04Å; L74-M78 HydrophobicContact CB-SD 4.29Å; L74-M78 HydrophobicContact CD1-CE 4.19Å; L74-M78 HydrophobicContact CD2-CE 4.41Å; L74-M78 HydrophobicContact CG-CE 4.46Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 3.44Å; V75-M78 PolarHBondContact O-N 3.39Å; P76-M78 PolarHBondContact O-N 3.42Å; M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.28Å; M78-F176 HydrophobicContact CE-CB 4.4Å; M78-F176 HydrophobicContact CE-CD1 4.12Å; M78-F176 HydrophobicContact CE-CG 4.49Å; M78-F176 HydrophobicContact SD-CB 4.09Å; M78-F176 HydrophobicContact SD-CD1 3.69Å; M78-F176 HydrophobicContact SD-CG 4.3Å; M78-V177 HydrophobicContact CB-CG2 3.69Å; M78-V177 HydrophobicContact SD-CG2 4.06Å |
| 79 | L | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -90.1 | -11.7 | 174.6 | -68.1 | -179.5 | 0 | 0 | 0 | 113.6 | V75 P76 L77 A81 V160 R164 S165 M173 V177 | V75-L79 HydrophobicContact CG1-CD1 3.95Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 3.05Å; V75-L79 VanDerWaalsContact O-N 3.12Å; P76-L79 PolarHBondContact O-N 2.83Å; L77-L79 PolarHBondContact O-N 3.46Å; L79-A81 HydrophobicContact CB-CB 4.39Å; L79-V160 HydrophobicContact CD1-CB 4.33Å; L79-V160 HydrophobicContact CD1-CG2 4.05Å; L79-R164 HydrophobicContact CD1-CG 4.33Å; L79-R164 HydrophobicContact CD2-CG 3.83Å; L79-S165 WeakPolarHBondContact O-CB 3.37Å; L79-S165 PolarHBondContact O-N 2.83Å; L79-S165 PolarHBondContact O-OG 3.15Å; L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.3Å; L79-V177 HydrophobicContact CD1-CG1 4.29Å; L79-V177 HydrophobicContact CD2-CG1 3.95Å; L79-V177 HydrophobicContact CD2-CG2 4.42Å; L79-V177 HydrophobicContact CG-CG1 4.23Å; L79-V177 HydrophobicContact CG-CG2 4.46Å |
| 80 | G | 97.3 | Very high | 98.2 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 23.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P76 L77 | P76-G80 PolarHBondContact O-N 2.88Å; L77-G80 PolarHBondContact O-N 3.46Å; L77-G80 VanDerWaalsContact O-N 3.17Å |
| 81 | A | 97.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | trans | -80.4 | 143.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P76 L79 M163 | P76-A81 HydrophobicContact CB-CB 4.19Å; P76-A81 PolarHBondContact O-N 2.84Å; L79-A81 HydrophobicContact CB-CB 4.39Å; A81-M163 HydrophobicContact CB-CB 3.93Å; A81-M163 WeakPolarHBondContact CB-O 3.42Å | ||
| 82 | P | 96.9 | Very high | 98.2 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 73% | 0.734 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -70.5 | -30.2 | 178.6 | 27.3 | -34.5 | 0 | 0 | 0 | 113.5 | M163 | P82-M163 HydrophobicContact CG-CE 4.27Š|
| 83 | D | 97.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -162.8 | -174.5 | 178 | -150.9 | -26.2 | 0 | 0 | 0 | 109.1 | H4 M163 | H4-D83 VanDerWaalsContact CB-OD1 3.24Å; H4-D83 WeakPolarHBondContact CB-OD1 3.27Å; H4-D83 IonicContact CD2-OD1 3.35Å; H4-D83 PolarHBondContact CD2-OD1 3.25Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.92Å; D83-M163 VanDerWaalsContact O-CE 3.26Å; D83-M163 WeakPolarHBondContact O-CE 3.31Å |
| 84 | M | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | trans | -72.3 | 156.6 | 169.1 | -60.9 | -66.7 | -72.9 | 0 | 0 | 112 | H4 P76 F86 P87 N155 F156 T159 | H4-M84 HydrophobicContact CB-CG 3.79Å; P76-M84 HydrophobicContact CG-CG 4.1Å; P76-M84 HydrophobicContact CG-SD 3.4Å; P76-M84 WeakPolarHBondContact CG-SD 3.25Å; M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.41Å; M84-P87 WeakPolarHBondContact O-CD 3.23Å; M84-P87 WeakPolarHBondContact O-CG 3.45Å; M84-N155 HydrophobicContact CE-CB 4.41Å; M84-N155 WeakPolarHBondContact CE-ND2 3.43Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.49Å; M84-F156 VanDerWaalsContact CE-CE1 3.49Å; M84-F156 HydrophobicContact CE-CG 4.12Å; M84-F156 HydrophobicContact CE-CZ 4.21Å; M84-F156 HydrophobicContact SD-CD1 4.48Å; M84-F156 HydrophobicContact SD-CE1 4.25Å; M84-T159 HydrophobicContact SD-CG2 4.05Å | ||
| 85 | A | 98.4 | Very high | 98.2 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -62.5 | -37.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P87 N155 T158 T159 M163 | A85-P87 WeakPolarHBondContact O-CD 3.39Å; A85-N155 PolarHBondContact N-OD1 2.96Å; A85-T158 HydrophobicContact CB-CG2 3.69Å; A85-T159 WeakPolarHBondContact CB-OG1 3.37Å; A85-T159 PolarHBondContact N-OG1 3.09Å; A85-M163 WeakPolarHBondContact CA-SD 3.41Å; A85-M163 HydrophobicContact CB-SD 3.71Å; A85-M163 PolarHBondContact N-SD 3.02Å |
| 86 | F | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 51.5 Ų | 51.5 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | trans | -123.6 | 76.1 | 179 | -52 | -55.6 | 0 | 0 | 0 | 111.8 | M84 R88 M89 N90 V154 N155 T158 | M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.41Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.94Å; F86-M89 HydrophobicContact CB-CB 3.66Å; F86-M89 HydrophobicContact CB-CE 4.41Å; F86-M89 HydrophobicContact CB-SD 4.27Å; F86-M89 HydrophobicContact CD2-CE 4.15Å; F86-M89 HydrophobicContact CD2-SD 4.08Å; F86-M89 HydrophobicContact CG-CE 4.3Å; F86-M89 HydrophobicContact CG-SD 4.46Å; F86-M89 PolarHBondContact O-N 3.49Å; F86-M89 VanDerWaalsContact O-N 3.15Å; F86-N90 PolarHBondContact O-N 3.44Å; F86-V154 HydrophobicContact CE2-CG1 4.24Å; F86-N155 HydrophobicContact CD2-CB 4.28Å; F86-N155 PolarHBondContact N-OD1 3.4Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.47Å; F86-T158 HydrophobicContact CZ-CG2 3.7Å | ||
| 87 | P | 98.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -35.4 | -173.1 | -27.1 | 36.1 | 0 | 0 | 0 | 114.8 | T2 M84 A85 N90 N91 | T2-P87 WeakPolarHBondContact O-CB 3.05Å; M84-P87 WeakPolarHBondContact O-CD 3.23Å; M84-P87 WeakPolarHBondContact O-CG 3.45Å; A85-P87 WeakPolarHBondContact O-CD 3.39Å; P87-N90 WeakPolarHBondContact O-CB 3.43Å; P87-N91 PolarHBondContact O-N 3.43Å; P87-N91 VanDerWaalsContact O-N 3.13Å |
| 88 | R | 98.4 | Very high | 98.2 | Very high | 203 Ų | 203 | 49.5 Ų | 49.5 | 77% | 0.766 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -75.3 | -37.6 | 177.9 | -66.7 | -177.6 | -176.2 | 173.1 | 1.4 | 112.7 | T2 F86 N90 N91 M92 | T2-R88 HydrophobicContact CG2-CG 3.98Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.94Å; R88-N90 VanDerWaalsContact C-N 3.25Å; R88-N90 PolarHBondContact O-N 3.32Å; R88-N91 PolarHBondContact O-N 3.35Å; R88-M92 PolarHBondContact O-N 3.3Å |
| 89 | M | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 29% | 0.286 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 172.8 | -174.9 | -172.5 | -68.2 | 0 | 0 | 110.1 | F86 M92 S93 L151 V154 | F86-M89 HydrophobicContact CB-CB 3.66Å; F86-M89 HydrophobicContact CB-CE 4.41Å; F86-M89 HydrophobicContact CB-SD 4.27Å; F86-M89 HydrophobicContact CD2-CE 4.15Å; F86-M89 HydrophobicContact CD2-SD 4.08Å; F86-M89 HydrophobicContact CG-CE 4.3Å; F86-M89 HydrophobicContact CG-SD 4.46Å; F86-M89 PolarHBondContact O-N 3.49Å; F86-M89 VanDerWaalsContact O-N 3.15Å; M89-M92 PolarHBondContact O-N 3.16Å; M89-S93 WeakPolarHBondContact O-CB 3.34Å; M89-S93 PolarHBondContact O-N 3.06Å; M89-L151 HydrophobicContact CG-CB 3.96Å; M89-L151 HydrophobicContact CG-CD2 3.91Å; M89-L151 HydrophobicContact CG-CG 4.33Å; M89-L151 HydrophobicContact SD-CB 4.35Å; M89-L151 HydrophobicContact SD-CD2 4.01Å; M89-V154 HydrophobicContact SD-CG1 4.48Å |
| 90 | N | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 173.7 | -160.7 | 32.4 | 0 | 0 | 0 | 112.8 | I7 N72 F86 P87 R88 S93 F94 N155 | I7-N90 HydrophobicContact CD1-CB 4.08Å; N72-N90 PolarHBondContact ND2-OD1 3.39Å; N72-N90 PolarHBondContact OD1-ND2 3.15Å; N72-N90 PolarHBondContact OD1-OD1 2.99Å; F86-N90 PolarHBondContact O-N 3.44Å; P87-N90 WeakPolarHBondContact O-CB 3.43Å; R88-N90 VanDerWaalsContact C-N 3.25Å; R88-N90 PolarHBondContact O-N 3.32Å; N90-S93 WeakPolarHBondContact O-CB 3.48Å; N90-S93 PolarHBondContact O-N 2.97Å; N90-F94 PolarHBondContact O-N 2.71Å; N90-N155 WeakPolarHBondContact CB-ND2 3.42Å |
| 91 | N | 98.6 | Very high | 98.4 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.9 | -178.6 | 65.7 | 0 | 0 | 0 | 111 | S1 I7 P87 R88 S93 F94 W95 | S1-N91 WeakPolarHBondContact O-CB 3.41Å; S1-N91 PolarHBondContact O-OD1 2.85Å; S1-N91 VanDerWaalsContact O-OD1 3.06Å; I7-N91 HydrophobicContact CD1-CB 3.88Å; P87-N91 PolarHBondContact O-N 3.43Å; P87-N91 VanDerWaalsContact O-N 3.13Å; R88-N91 PolarHBondContact O-N 3.35Å; N91-S93 VanDerWaalsContact C-N 3.34Å; N91-S93 PolarHBondContact O-N 3.22Å; N91-F94 PolarHBondContact O-N 2.9Å; N91-W95 PolarHBondContact O-N 3.19Å; N91-W95 VanDerWaalsContact O-N 3.09Å; N91-W95 VanDerWaalsContact OD1-CD1 3.27Å; N91-W95 PolarHBondContact OD1-NE1 3.16Å; N91-W95 VanDerWaalsContact OD1-NE1 3.08Å |
| 92 | M | 98.3 | Very high | 98.4 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 51% | 0.507 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 176 | -178.6 | 176.7 | 177 | 0 | 0 | 112 | R88 M89 F94 W95 L96 L151 | R88-M92 PolarHBondContact O-N 3.3Å; M89-M92 PolarHBondContact O-N 3.16Å; M92-F94 VanDerWaalsContact C-N 3.3Å; M92-F94 PolarHBondContact O-N 3.35Å; M92-W95 PolarHBondContact O-N 3.38Å; M92-W95 VanDerWaalsContact O-N 3.15Å; M92-L96 HydrophobicContact CE-CD1 4.42Å; M92-L96 HydrophobicContact CG-CD1 4.41Å; M92-L96 WeakPolarHBondContact O-CG 3.43Å; M92-L96 PolarHBondContact O-N 3.39Å; M92-L151 HydrophobicContact CE-CD1 4.37Å; M92-L151 HydrophobicContact CG-CD1 4.14Å; M92-L151 HydrophobicContact SD-CD1 4.14Å |
| 93 | S | 98.3 | Very high | 98.5 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53 | -47.4 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | Y11 M89 N90 N91 S148 | Y11-S93 VanDerWaalsContact OH-C 3.27Å; Y11-S93 PolarHBondContact OH-OG 2.61Å; M89-S93 WeakPolarHBondContact O-CB 3.34Å; M89-S93 PolarHBondContact O-N 3.06Å; N90-S93 WeakPolarHBondContact O-CB 3.48Å; N90-S93 PolarHBondContact O-N 2.97Å; N91-S93 VanDerWaalsContact C-N 3.34Å; N91-S93 PolarHBondContact O-N 3.22Å; S93-S148 WeakPolarHBondContact CB-O 3.23Å; S93-S148 VanDerWaalsContact O-CB 3.23Å; S93-S148 WeakPolarHBondContact O-CB 3.36Å; S93-S148 PolarHBondContact O-OG 2.88Å; S93-S148 PolarHBondContact OG-O 3.17Å; S93-S148 PolarHBondContact OG-OG 3.43Å |
| 94 | F | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 175.1 | 172.1 | -100.2 | 0 | 0 | 0 | 112.7 | I7 L10 Y11 F14 N90 N91 M92 L96 L97 P98 | I7-F94 HydrophobicContact CG2-CB 4.14Å; L10-F94 VanDerWaalsContact C-CE2 3.42Å; L10-F94 HydrophobicContact CB-CD1 4.2Å; L10-F94 HydrophobicContact CB-CD2 4.07Å; L10-F94 HydrophobicContact CB-CE1 3.82Å; L10-F94 HydrophobicContact CB-CE2 3.68Å; L10-F94 HydrophobicContact CB-CG 4.32Å; L10-F94 HydrophobicContact CB-CZ 3.57Å; L10-F94 HydrophobicContact CD1-CD1 4.09Å; L10-F94 HydrophobicContact CD1-CE1 3.91Å; L10-F94 HydrophobicContact CD1-CZ 4.48Å; L10-F94 HydrophobicContact CD2-CZ 4.49Å; L10-F94 HydrophobicContact CG-CE1 4.31Å; L10-F94 HydrophobicContact CG-CZ 4.4Å; L10-F94 WeakPolarHBondContact O-CE2 3.46Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.36Å; Y11-F94 HydrophobicContact CD2-CD2 4.05Å; Y11-F94 HydrophobicContact CE1-CB 4.42Å; Y11-F94 HydrophobicContact CE1-CD2 4.06Å; Y11-F94 HydrophobicContact CE2-CB 3.73Å; Y11-F94 HydrophobicContact CE2-CD2 4.16Å; Y11-F94 HydrophobicContact CE2-CG 4.41Å; Y11-F94 AromaticContact CG-CD2 3.91Å; Y11-F94 HydrophobicContact CG-CD2 3.91Å; Y11-F94 WeakPolarHBondContact OH-CA 3.49Å; Y11-F94 PolarHBondContact OH-N 3.01Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; F14-F94 HydrophobicContact CB-CE2 3.88Å; F14-F94 HydrophobicContact CB-CZ 4.34Å; F14-F94 HydrophobicContact CG-CE2 4.35Å; N90-F94 PolarHBondContact O-N 2.71Å; N91-F94 PolarHBondContact O-N 2.9Å; M92-F94 VanDerWaalsContact C-N 3.3Å; M92-F94 PolarHBondContact O-N 3.35Å; F94-L96 PolarHBondContact O-N 3.17Å; F94-L96 VanDerWaalsContact O-N 3.09Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 PolarHBondContact O-N 2.91Å; F94-P98 HydrophobicContact CZ-CG 4.49Å; F94-P98 VanDerWaalsContact O-CD 3.27Å; F94-P98 WeakPolarHBondContact O-CD 3.42Å |
| 95 | W | 98.6 | Very high | 98.6 | Very high | 135 Ų | 135 | 47.1 Ų | 47.1 | 51% | 0.511 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69 | -10.1 | -171.9 | -78.1 | 110.5 | 0 | 0 | 0 | 115 | N91 M92 P98 P99 | N91-W95 PolarHBondContact O-N 3.19Å; N91-W95 VanDerWaalsContact O-N 3.09Å; N91-W95 VanDerWaalsContact OD1-CD1 3.27Å; N91-W95 PolarHBondContact OD1-NE1 3.16Å; N91-W95 VanDerWaalsContact OD1-NE1 3.08Å; M92-W95 PolarHBondContact O-N 3.38Å; M92-W95 VanDerWaalsContact O-N 3.15Å; W95-P98 HydrophobicContact CE3-CG 4.39Å; W95-P99 WeakPolarHBondContact O-CD 3.37Å |
| 96 | L | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.3 | 169.7 | -69.9 | 170.1 | 0 | 0 | 0 | 113 | M92 F94 P99 A100 L144 I147 L151 | M92-L96 HydrophobicContact CE-CD1 4.42Å; M92-L96 HydrophobicContact CG-CD1 4.41Å; M92-L96 WeakPolarHBondContact O-CG 3.43Å; M92-L96 PolarHBondContact O-N 3.39Å; F94-L96 PolarHBondContact O-N 3.17Å; F94-L96 VanDerWaalsContact O-N 3.09Å; L96-P99 WeakPolarHBondContact O-CD 3.33Å; L96-P99 WeakPolarHBondContact O-CG 3.26Å; L96-A100 VanDerWaalsContact O-CB 3.24Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.42Å; L96-L144 HydrophobicContact CD2-CD2 4.25Å; L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; L96-L151 HydrophobicContact CD1-CD1 4.07Å |
| 97 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73 | -43.7 | -177.2 | -64.7 | -179.4 | 0 | 0 | 0 | 114.6 | Y11 F14 P64 F94 A100 L101 A145 | Y11-L97 HydrophobicContact CD1-CD1 3.92Å; Y11-L97 HydrophobicContact CE1-CD1 3.44Å; Y11-L97 VanDerWaalsContact CE1-CD1 3.44Å; F14-L97 HydrophobicContact CD1-CB 4.37Å; F14-L97 HydrophobicContact CD1-CD1 4.18Å; F14-L97 HydrophobicContact CE1-CB 3.77Å; F14-L97 HydrophobicContact CE1-CD1 4.01Å; F14-L97 HydrophobicContact CE1-CG 4.47Å; F14-L97 HydrophobicContact CE2-CB 4.36Å; F14-L97 HydrophobicContact CZ-CB 3.75Å; P64-L97 HydrophobicContact CB-CD1 4.11Å; P64-L97 HydrophobicContact CG-CD1 3.74Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 PolarHBondContact O-N 2.91Å; L97-A100 WeakPolarHBondContact O-CB 3.38Å; L97-A100 PolarHBondContact O-N 2.72Å; L97-L101 PolarHBondContact O-N 2.98Å; L97-A145 HydrophobicContact CD2-CB 4.35Å |
| 98 | P | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 24% | 0.24 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 176.3 | -25.1 | 34.3 | 0 | 0 | 0 | 115.2 | F14 F94 W95 L101 S102 | F14-P98 HydrophobicContact CD2-CG 4.34Å; F14-P98 HydrophobicContact CE2-CB 4.5Å; F14-P98 HydrophobicContact CE2-CG 4.25Å; F94-P98 HydrophobicContact CZ-CG 4.49Å; F94-P98 VanDerWaalsContact O-CD 3.27Å; F94-P98 WeakPolarHBondContact O-CD 3.42Å; W95-P98 HydrophobicContact CE3-CG 4.39Å; P98-L101 PolarHBondContact O-N 3.49Å; P98-S102 WeakPolarHBondContact O-CB 3.27Å; P98-S102 PolarHBondContact O-N 3.01Å; P98-S102 PolarHBondContact O-OG 3.33Å |
| 99 | P | 98.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.2 | -34.6 | 174 | 25.4 | -31.7 | 0 | 0 | 0 | 111.9 | W95 L96 S102 L103 L144 | W95-P99 WeakPolarHBondContact O-CD 3.37Å; L96-P99 WeakPolarHBondContact O-CD 3.33Å; L96-P99 WeakPolarHBondContact O-CG 3.26Å; P99-S102 PolarHBondContact O-N 3.25Å; P99-L103 WeakPolarHBondContact O-CG 3.34Å; P99-L103 PolarHBondContact O-N 3.45Å; P99-L144 HydrophobicContact CB-CD1 4.24Å; P99-L144 HydrophobicContact CG-CD1 4.35Å |
| 100 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F60 L96 L97 S102 L103 L104 S141 L144 A145 | F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.88Å; L96-A100 VanDerWaalsContact O-CB 3.24Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.42Å; L97-A100 WeakPolarHBondContact O-CB 3.38Å; L97-A100 PolarHBondContact O-N 2.72Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 2.99Å; A100-L104 PolarHBondContact O-N 3.16Å; A100-S141 VanDerWaalsContact O-CB 3.26Å; A100-S141 WeakPolarHBondContact O-CB 3.48Å; A100-S141 PolarHBondContact O-OG 2.81Å; A100-L144 HydrophobicContact CB-CB 3.63Å; A100-L144 HydrophobicContact CB-CD1 4.43Å; A100-A145 HydrophobicContact CB-CB 4.38Å |
| 101 | L | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.7 | -179.2 | 56.8 | 0 | 0 | 0 | 111.4 | F14 W17 A18 I56 F60 L97 P98 L103 L104 L105 | F14-L101 HydrophobicContact CE2-CB 4.27Å; F14-L101 HydrophobicContact CE2-CD2 3.76Å; F14-L101 HydrophobicContact CZ-CB 3.93Å; F14-L101 HydrophobicContact CZ-CD2 3.67Å; F14-L101 HydrophobicContact CZ-CG 4.45Å; W17-L101 HydrophobicContact CE3-CD2 4.09Å; W17-L101 HydrophobicContact CZ3-CD2 3.71Å; A18-L101 HydrophobicContact CB-CD2 3.97Å; I56-L101 HydrophobicContact CD1-CD1 4.42Å; I56-L101 HydrophobicContact CG1-CD1 3.98Å; F60-L101 HydrophobicContact CB-CD1 4.29Å; F60-L101 HydrophobicContact CD1-CB 3.75Å; F60-L101 HydrophobicContact CD1-CD1 4.19Å; F60-L101 HydrophobicContact CD1-CG 4.41Å; F60-L101 HydrophobicContact CD2-CD1 4.19Å; F60-L101 HydrophobicContact CE1-CB 3.77Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.94Å; F60-L101 HydrophobicContact CZ-CB 4.44Å; L97-L101 PolarHBondContact O-N 2.98Å; P98-L101 PolarHBondContact O-N 3.49Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.34Å; L101-L104 HydrophobicContact CD1-CD2 4.45Å; L101-L104 WeakPolarHBondContact O-CB 3.41Å; L101-L104 PolarHBondContact O-N 3.11Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.24Å; L101-L105 HydrophobicContact CG-CD1 4.25Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 3.15Å |
| 102 | S | 98.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | P98 P99 A100 L104 L105 V106 | P98-S102 WeakPolarHBondContact O-CB 3.27Å; P98-S102 PolarHBondContact O-N 3.01Å; P98-S102 PolarHBondContact O-OG 3.33Å; P99-S102 PolarHBondContact O-N 3.25Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 2.84Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 3.4Å; S102-L105 PolarHBondContact O-N 3.48Å; S102-V106 WeakPolarHBondContact O-CB 3.3Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.47Å; S102-V106 PolarHBondContact O-N 2.95Å |
| 103 | L | 98.8 | Very high | 97.8 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.3 | -73 | 170.9 | 0 | 0 | 0 | 111.9 | P99 A100 L101 V106 S107 L137 F140 L144 | P99-L103 WeakPolarHBondContact O-CG 3.34Å; P99-L103 PolarHBondContact O-N 3.45Å; A100-L103 PolarHBondContact O-N 2.99Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.34Å; L103-V106 PolarHBondContact O-N 2.91Å; L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.34Å; L103-L137 HydrophobicContact CD2-CD2 3.85Å; L103-F140 HydrophobicContact CD1-CB 3.97Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å |
| 104 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 176 | -177.9 | 65.7 | 0 | 0 | 0 | 111.6 | F55 I56 F60 A100 L101 S102 S107 S108 S141 | F55-L104 HydrophobicContact CB-CD1 4.16Å; F55-L104 HydrophobicContact CB-CD2 3.65Å; F55-L104 HydrophobicContact CD2-CD1 3.81Å; F55-L104 HydrophobicContact CG-CD1 4.34Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.68Å; F60-L104 HydrophobicContact CD2-CD2 4Å; F60-L104 HydrophobicContact CE2-CD2 3.71Å; A100-L104 PolarHBondContact O-N 3.16Å; L101-L104 HydrophobicContact CD1-CD2 4.45Å; L101-L104 WeakPolarHBondContact O-CB 3.41Å; L101-L104 PolarHBondContact O-N 3.11Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 3.4Å; L104-S107 WeakPolarHBondContact O-CB 3.25Å; L104-S107 PolarHBondContact O-N 3.47Å; L104-S107 PolarHBondContact O-OG 3.43Å; L104-S108 PolarHBondContact O-N 3.43Å; L104-S141 WeakPolarHBondContact CB-OG 3.37Å |
| 105 | L | 98.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 47 Ų | 47 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 178.4 | -65.4 | 176.3 | 0 | 0 | 0 | 110.9 | W17 V21 I56 L101 S102 S107 S108 M109 | W17-L105 HydrophobicContact CH2-CD1 4.49Å; V21-L105 HydrophobicContact CG1-CD2 4.41Å; I56-L105 HydrophobicContact CD1-CD2 4.09Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.24Å; L101-L105 HydrophobicContact CG-CD1 4.25Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 3.15Å; S102-L105 PolarHBondContact O-N 3.48Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 3.15Å; L105-S108 WeakPolarHBondContact O-CB 3.36Å; L105-S108 PolarHBondContact O-N 3.42Å; L105-S108 VanDerWaalsContact O-N 3.08Å; L105-S108 PolarHBondContact O-OG 3.01Å; L105-M109 PolarHBondContact O-N 3.5Å |
| 106 | V | 98.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 35% | 0.345 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 174.9 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | S102 L103 S108 M109 V110 L137 | S102-V106 WeakPolarHBondContact O-CB 3.3Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.47Å; S102-V106 PolarHBondContact O-N 2.95Å; L103-V106 PolarHBondContact O-N 2.91Å; V106-S108 PolarHBondContact O-N 3.09Å; V106-S108 VanDerWaalsContact O-N 3.13Å; V106-M109 HydrophobicContact CB-CE 4.49Å; V106-M109 HydrophobicContact CG2-CE 4.08Å; V106-M109 PolarHBondContact O-N 3.34Å; V106-V110 HydrophobicContact CG1-CG2 3.61Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.07Å; V106-L137 HydrophobicContact CG1-CD1 3.82Å |
| 107 | S | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.8 | -26.9 | 174.5 | 85.9 | 0 | 0 | 0 | 0 | 113.2 | L103 L104 L105 G113 A114 S134 | L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.34Å; L104-S107 WeakPolarHBondContact O-CB 3.25Å; L104-S107 PolarHBondContact O-N 3.47Å; L104-S107 PolarHBondContact O-OG 3.43Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 3.15Å; S107-G113 VanDerWaalsContact O-CA 3.26Å; S107-G113 WeakPolarHBondContact O-CA 3.41Å; S107-A114 PolarHBondContact O-N 2.85Å; S107-S134 VanDerWaalsContact CB-O 3.29Å; S107-S134 WeakPolarHBondContact CB-O 3.47Å; S107-S134 VanDerWaalsContact O-CB 3.29Å; S107-S134 WeakPolarHBondContact O-CB 3.5Å |
| 108 | S | 95.9 | Very high | 97.4 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -84 | -15.6 | 176.9 | 72.6 | 0 | 0 | 0 | 0 | 114 | L104 L105 V106 | L104-S108 PolarHBondContact O-N 3.43Å; L105-S108 WeakPolarHBondContact O-CB 3.36Å; L105-S108 PolarHBondContact O-N 3.42Å; L105-S108 VanDerWaalsContact O-N 3.08Å; L105-S108 PolarHBondContact O-OG 3.01Å; V106-S108 PolarHBondContact O-N 3.09Å; V106-S108 VanDerWaalsContact O-N 3.13Å |
| 109 | M | 95.8 | Very high | 97.3 | Very high | 137 Ų | 137 | 42.9 Ų | 42.9 | 68% | 0.675 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -108.2 | -14.3 | -175.3 | -62.7 | -176 | -68.6 | 0 | 0 | 113.7 | L105 V106 | L105-M109 PolarHBondContact O-N 3.5Å; V106-M109 HydrophobicContact CB-CE 4.49Å; V106-M109 HydrophobicContact CG2-CE 4.08Å; V106-M109 PolarHBondContact O-N 3.34Å |
| 110 | V | 95.6 | Very high | 97.3 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -96.1 | 136.3 | -179.2 | 169.2 | 0 | 0 | 0 | 0 | 109.6 | V106 N112 G113 S134 L137 | V106-V110 HydrophobicContact CG1-CG2 3.61Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.07Å; V110-N112 PolarHBondContact O-N 3.45Å; V110-G113 PolarHBondContact O-N 2.6Å; V110-S134 WeakPolarHBondContact O-CB 3.43Å; V110-L137 HydrophobicContact CB-CD1 4.29Å; V110-L137 HydrophobicContact CG1-CD1 4.46Å; V110-L137 HydrophobicContact CG2-CD1 4.25Å |
| 111 | E | 94.8 | Very high | 97.3 | Very high | 139 Ų | 139 | 43.1 Ų | 43.1 | 65% | 0.65 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -134.5 | -175.7 | -54.1 | -59 | 154.7 | 0 | 0 | 111.1 | G113 | E111-G113 VanDerWaalsContact C-N 3.28Å; E111-G113 PolarHBondContact O-N 2.68Å |
| 112 | N | 94 | Very high | 97.2 | Very high | 129 Ų | 129 | 43.2 Ų | 43.2 | 69% | 0.69 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 15.7 | 176.8 | -65.6 | -33.4 | 0 | 0 | 0 | 113.4 | Q44 V48 V110 | Q44-N112 HydrophobicContact CG-CB 4.24Å; Q44-N112 WeakPolarHBondContact CG-O 3.21Å; Q44-N112 PolarHBondContact NE2-O 3.22Å; V48-N112 WeakPolarHBondContact CG2-O 3.24Å; V110-N112 PolarHBondContact O-N 3.45Å |
| 113 | G | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 68.6 | 171.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S107 V110 E111 G115 S134 | S107-G113 VanDerWaalsContact O-CA 3.26Å; S107-G113 WeakPolarHBondContact O-CA 3.41Å; V110-G113 PolarHBondContact O-N 2.6Å; E111-G113 VanDerWaalsContact C-N 3.28Å; E111-G113 PolarHBondContact O-N 2.68Å; G113-G115 PolarHBondContact O-N 3.49Å; G113-S134 VanDerWaalsContact C-OG 3.26Å; G113-S134 WeakPolarHBondContact O-CB 3.41Å; G113-S134 PolarHBondContact O-OG 3.15Å | ||
| 114 | A | 97.6 | Very high | 97 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | trans | -87.8 | 82.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T51 S107 T116 V135 A138 | T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 3.09Å; T51-A114 VanDerWaalsContact CG2-O 3.32Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.04Å; S107-A114 PolarHBondContact O-N 2.85Å; A114-T116 VanDerWaalsContact C-N 3.34Å; A114-T116 PolarHBondContact O-N 2.83Å; A114-V135 HydrophobicContact CB-CG2 4.43Å; A114-A138 HydrophobicContact CB-CB 4.02Å | ||
| 115 | G | 97.3 | Very high | 97 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -93 | 39.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G113 H130 | G113-G115 PolarHBondContact O-N 3.49Å; G115-H130 PolarHBondContact N-NE2 2.92Å | ||
| 116 | T | 97.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -100 | -1.6 | -168.8 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | A114 L124 V135 | A114-T116 VanDerWaalsContact C-N 3.34Å; A114-T116 PolarHBondContact O-N 2.83Å; T116-L124 HydrophobicContact CG2-CG 4.48Å; T116-V135 HydrophobicContact CG2-CG2 3.94Å |
| 117 | G | 97.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 163.5 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T51 T119 V120 | T51-G117 VanDerWaalsContact OG1-CA 3.26Å; T51-G117 WeakPolarHBondContact OG1-CA 3.35Å; T51-G117 PolarHBondContact OG1-N 3.26Å; G117-T119 PolarHBondContact O-N 3.15Å; G117-T119 VanDerWaalsContact O-N 3.17Å; G117-V120 PolarHBondContact O-N 3.11Å; G117-V120 VanDerWaalsContact O-N 3.13Å |
| 118 | W | 96.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 50 Ų | 50 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.4 | -178.5 | 83.7 | -78.2 | 0 | 0 | 0 | 113.7 | A54 F55 I58 F227 W228 | A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å; F55-W118 HydrophobicContact CD1-CB 4.44Å; F55-W118 HydrophobicContact CE1-CB 4.14Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.33Å; F55-W118 WeakPolarHBondContact CZ-O 3.24Å; I58-W118 HydrophobicContact CD1-CE3 4.2Å; I58-W118 HydrophobicContact CD1-CZ3 4.2Å; W118-F227 HydrophobicContact CD2-CZ 4.24Å; W118-F227 AromaticContact CE3-CZ 3.77Å; W118-F227 HydrophobicContact CE3-CZ 3.77Å; W118-F227 AromaticContact CH2-CE1 3.82Å; W118-F227 HydrophobicContact CH2-CE1 3.82Å; W118-F227 AromaticContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CZ2-CE1 4.09Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.09Å; W118-F227 AromaticContact CZ3-CZ 3.53Å; W118-F227 HydrophobicContact CZ3-CZ 3.53Å; W118-W228 HydrophobicContact CH2-CH2 4.43Å; W118-W228 HydrophobicContact CH2-CZ3 4.34Å; W118-W228 AromaticContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CZ3 4.17Å |
| 119 | T | 97.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -15.7 | 176.8 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | G117 Y121 Y223 F227 W228 | G117-T119 PolarHBondContact O-N 3.15Å; G117-T119 VanDerWaalsContact O-N 3.17Å; T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.4Å; T119-Y121 HydrophobicContact CG2-CE2 4.41Å; T119-Y121 PolarHBondContact O-N 3.21Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.34Å; T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.42Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.7Å; T119-F227 HydrophobicContact CG2-CZ 3.94Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å |
| 120 | V | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 41.4 | 173.5 | -158.3 | 0 | 0 | 0 | 0 | 113.5 | F55 G117 S125 V135 L201 | F55-V120 HydrophobicContact CE2-CG2 4.22Å; F55-V120 HydrophobicContact CZ-CG2 3.57Å; G117-V120 PolarHBondContact O-N 3.11Å; G117-V120 VanDerWaalsContact O-N 3.13Å; V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.36Å; V120-S125 PolarHBondContact O-OG 3.43Å; V120-V135 HydrophobicContact CG1-CG1 4.08Å; V120-L201 HydrophobicContact CG1-CD2 3.81Å |
| 121 | Y | 98.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 46 Ų | 46 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | trans | -68.6 | 130 | -173.9 | -71.3 | -25.7 | 0 | 0 | 0 | 114.2 | T119 L124 S125 Y223 Q224 W228 | T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.4Å; T119-Y121 HydrophobicContact CG2-CE2 4.41Å; T119-Y121 PolarHBondContact O-N 3.21Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.34Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 2.76Å; Y121-S125 PolarHBondContact O-N 2.94Å; Y121-S125 PolarHBondContact O-OG 3.29Å; Y121-Y223 AromaticContact CD1-CD1 3.5Å; Y121-Y223 HydrophobicContact CD1-CD1 3.5Å; Y121-Y223 VanDerWaalsContact CD1-CD1 3.5Å; Y121-Y223 AromaticContact CD1-CE1 3.64Å; Y121-Y223 HydrophobicContact CD1-CE1 3.64Å; Y121-Y223 AromaticContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CE1 4.06Å; Y121-Q224 HydrophobicContact CD1-CG 4.19Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.76Å; Y121-Q224 HydrophobicContact CE2-CG 4.36Å; Y121-W228 PolarHBondContact OH-NE1 3Å | ||
| 122 | P | 97.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 153.9 | 162 | 29.5 | -31.6 | 0 | 0 | 0 | 110.2 | L124 S125 L201 F212 Y223 | P122-L124 VanDerWaalsContact C-N 3.34Å; P122-S125 VanDerWaalsContact N-OG 3.12Å; P122-L201 HydrophobicContact CB-CD1 4.12Å; P122-L201 HydrophobicContact CG-CD1 4.45Å; P122-F212 HydrophobicContact CB-CB 3.93Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.85Å; P122-Y223 VanDerWaalsContact CD-CG 3.43Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.89Å |
| 123 | P | 96.7 | Very high | 96.4 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.1 | -3.7 | 1.8 | 33.6 | -36.1 | 0 | 0 | 0 | 114 | S125 A126 | P123-S125 VanDerWaalsContact C-N 3.31Å; P123-S125 PolarHBondContact O-N 3.07Å; P123-A126 VanDerWaalsContact O-CB 3.32Å; P123-A126 WeakPolarHBondContact O-CB 3.35Å; P123-A126 PolarHBondContact O-N 2.91Å |
| 124 | L | 97.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 36.4 Ų | 36.4 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -39.1 | -178.9 | -179.5 | 63.6 | 0 | 0 | 0 | 112 | T116 Y121 P122 A126 A129 H130 | T116-L124 HydrophobicContact CG2-CG 4.48Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 2.76Å; P122-L124 VanDerWaalsContact C-N 3.34Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A129 HydrophobicContact CD1-CB 4.18Å; L124-A129 WeakPolarHBondContact O-CB 3.34Å; L124-H130 PolarHBondContact O-ND1 2.96Å |
| 125 | S | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.8 | 175.2 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | V120 Y121 P122 P123 L201 R205 | V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.36Å; V120-S125 PolarHBondContact O-OG 3.43Å; Y121-S125 PolarHBondContact O-N 2.94Å; Y121-S125 PolarHBondContact O-OG 3.29Å; P122-S125 VanDerWaalsContact N-OG 3.12Å; P123-S125 VanDerWaalsContact C-N 3.31Å; P123-S125 PolarHBondContact O-N 3.07Å; S125-L201 WeakPolarHBondContact OG-CD2 3.42Å; S125-R205 WeakPolarHBondContact O-CD 3.5Å; S125-R205 PolarHBondContact O-NH1 3.08Å |
| 126 | A | 96.3 | Very high | 96.5 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -80.4 | 166.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P123 L124 I128 A129 H130 | P123-A126 VanDerWaalsContact O-CB 3.32Å; P123-A126 WeakPolarHBondContact O-CB 3.35Å; P123-A126 PolarHBondContact O-N 2.91Å; L124-A126 VanDerWaalsContact C-N 3.31Å; A126-I128 PolarHBondContact O-N 3.29Å; A126-I128 VanDerWaalsContact O-N 3.11Å; A126-A129 PolarHBondContact O-N 3.21Å; A126-A129 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-N 3.13Å |
| 127 | G | 93.9 | Very high | 96.6 | Very high | 34 Ų | 34 | 38 Ų | 38 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A129 G131 | G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.29Å; G127-G131 VanDerWaalsContact O-CA 3.24Å; G127-G131 WeakPolarHBondContact O-CA 3.34Å; G127-G131 PolarHBondContact O-N 3.35Å |
| 128 | I | 92.9 | Very high | 96.7 | Very high | 145 Ų | 145 | 37 Ų | 37 | 74% | 0.744 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -36.5 | 177.6 | -60.6 | 172.7 | 0 | 0 | 0 | 111.6 | A126 | A126-I128 PolarHBondContact O-N 3.29Å; A126-I128 VanDerWaalsContact O-N 3.11Å |
| 129 | A | 94.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 34 Ų | 34 | 47% | 0.471 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -32.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L124 A126 G127 | L124-A129 HydrophobicContact CD1-CB 4.18Å; L124-A129 WeakPolarHBondContact O-CB 3.34Å; A126-A129 PolarHBondContact O-N 3.21Å; A126-A129 VanDerWaalsContact O-N 3.14Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.29Å |
| 130 | H | 96.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | trans | -126.5 | 77.9 | 174.7 | -77.3 | 79.9 | 0 | 0 | 0 | 110.1 | Q44 G115 L124 A126 G132 V135 R205 | Q44-H130 PolarHBondContact NE2-NE2 3.01Å; Q44-H130 VanDerWaalsContact NE2-NE2 3.12Å; G115-H130 PolarHBondContact N-NE2 2.92Å; L124-H130 PolarHBondContact O-ND1 2.96Å; A126-H130 PolarHBondContact O-N 3.13Å; H130-G132 VanDerWaalsContact C-N 3.28Å; H130-G132 PolarHBondContact O-N 3.33Å; H130-V135 HydrophobicContact CB-CG2 3.7Å; H130-R205 PolarHBondContact O-NH1 3.12Å; H130-R205 PolarHBondContact O-NH2 2.92Å | ||
| 131 | G | 92.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 37.6 Ų | 37.6 | 67% | 0.67 | 24% | 0.24 | S | C | * | . | trans | -71.6 | -16.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | G127 | G127-G131 VanDerWaalsContact O-CA 3.24Å; G127-G131 WeakPolarHBondContact O-CA 3.34Å; G127-G131 PolarHBondContact O-N 3.35Å | ||
| 132 | G | 95.1 | Very high | 96.9 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -78.2 | 169 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H130 S134 R205 | H130-G132 VanDerWaalsContact C-N 3.28Å; H130-G132 PolarHBondContact O-N 3.33Å; G132-S134 PolarHBondContact O-N 3.2Å; G132-R205 PolarHBondContact O-NH2 3.45Å |
| 133 | A | 97.4 | Very high | 97 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 37% | 0.372 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -2.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V135 D136 L137 | A133-V135 PolarHBondContact O-N 3.46Å; A133-D136 WeakPolarHBondContact CA-OD2 3.45Å; A133-D136 PolarHBondContact O-N 3Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.15Å |
| 134 | S | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | -176.2 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | S107 V110 G113 G132 D136 L137 A138 | S107-S134 VanDerWaalsContact CB-O 3.29Å; S107-S134 WeakPolarHBondContact CB-O 3.47Å; S107-S134 VanDerWaalsContact O-CB 3.29Å; S107-S134 WeakPolarHBondContact O-CB 3.5Å; V110-S134 WeakPolarHBondContact O-CB 3.43Å; G113-S134 VanDerWaalsContact C-OG 3.26Å; G113-S134 WeakPolarHBondContact O-CB 3.41Å; G113-S134 PolarHBondContact O-OG 3.15Å; G132-S134 PolarHBondContact O-N 3.2Å; S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 PolarHBondContact O-N 3.36Å; S134-L137 PolarHBondContact O-N 2.82Å; S134-A138 PolarHBondContact O-N 3.13Å; S134-A138 VanDerWaalsContact O-N 3.1Å |
| 135 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -34.5 | 178.5 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | A114 T116 V120 H130 A133 A138 I139 | A114-V135 HydrophobicContact CB-CG2 4.43Å; T116-V135 HydrophobicContact CG2-CG2 3.94Å; V120-V135 HydrophobicContact CG1-CG1 4.08Å; H130-V135 HydrophobicContact CB-CG2 3.7Å; A133-V135 PolarHBondContact O-N 3.46Å; V135-A138 PolarHBondContact O-N 3.22Å; V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 3.22Å |
| 136 | D | 98.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 178 | -53.7 | -51.4 | 0 | 0 | 0 | 111.4 | A133 S134 A138 I139 F140 L202 R205 N206 | A133-D136 WeakPolarHBondContact CA-OD2 3.45Å; A133-D136 PolarHBondContact O-N 3Å; S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 PolarHBondContact O-N 3.36Å; D136-A138 PolarHBondContact O-N 2.85Å; D136-I139 WeakPolarHBondContact O-CB 3.27Å; D136-I139 PolarHBondContact O-N 3.08Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.12Å; D136-F140 PolarHBondContact O-N 3.06Å; D136-L202 HydrophobicContact CB-CD1 3.9Å; D136-L202 VanDerWaalsContact OD1-CD1 3.26Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.42Å; D136-R205 IonicContact OD1-CZ 3.51Å; D136-R205 IonicContact OD1-NE 2.75Å; D136-R205 PolarHBondContact OD1-NE 2.75Å; D136-R205 IonicContact OD1-NH2 3.39Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.84Å; D136-R205 IonicContact OD2-NH2 3Å; D136-R205 PolarHBondContact OD2-NH2 3.19Å; D136-N206 PolarHBondContact OD1-ND2 3.1Å |
| 137 | L | 98.8 | Very high | 97.3 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 174.7 | -67.8 | 173.9 | 0 | 0 | 0 | 112.3 | L103 V106 V110 A133 S134 F140 S141 | L103-L137 HydrophobicContact CD2-CD2 3.85Å; V106-L137 HydrophobicContact CG1-CD1 3.82Å; V110-L137 HydrophobicContact CB-CD1 4.29Å; V110-L137 HydrophobicContact CG1-CD1 4.46Å; V110-L137 HydrophobicContact CG2-CD1 4.25Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.15Å; S134-L137 PolarHBondContact O-N 2.82Å; L137-F140 PolarHBondContact O-N 2.82Å; L137-S141 WeakPolarHBondContact O-CB 3.26Å; L137-S141 PolarHBondContact O-N 3.43Å |
| 138 | A | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A114 S134 V135 D136 S141 L142 | A114-A138 HydrophobicContact CB-CB 4.02Å; S134-A138 PolarHBondContact O-N 3.13Å; S134-A138 VanDerWaalsContact O-N 3.1Å; V135-A138 PolarHBondContact O-N 3.22Å; D136-A138 PolarHBondContact O-N 2.85Å; A138-S141 WeakPolarHBondContact O-CB 3.17Å; A138-S141 PolarHBondContact O-N 3.41Å; A138-L142 WeakPolarHBondContact O-CG 3.16Å; A138-L142 PolarHBondContact O-N 3.27Å |
| 139 | I | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 174.1 | -71.6 | 168 | 0 | 0 | 0 | 110.9 | V135 D136 S141 L142 H143 I198 L201 L202 | V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 3.22Å; D136-I139 WeakPolarHBondContact O-CB 3.27Å; D136-I139 PolarHBondContact O-N 3.08Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.88Å; I139-L142 PolarHBondContact O-N 3.02Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.34Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.37Å; I139-H143 PolarHBondContact O-N 3.24Å; I139-H143 PolarHBondContact O-ND1 3.27Å; I139-I198 HydrophobicContact CG1-CB 4.38Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.29Å; I139-I198 HydrophobicContact CG2-CG1 4.27Å; I139-L201 HydrophobicContact CD1-CD2 4Å; I139-L201 HydrophobicContact CD1-CG 4.14Å; I139-L202 HydrophobicContact CD1-CB 4.3Å; I139-L202 HydrophobicContact CD1-CD1 4.27Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.34Å; I139-L202 HydrophobicContact CG2-CD2 4.41Å |
| 140 | F | 98.8 | Very high | 98 | Very high | 98 Ų | 98 | 26.2 Ų | 26.2 | 43% | 0.43 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64 | -36.8 | 177.2 | -71.9 | -55.6 | 0 | 0 | 0 | 112.7 | L103 D136 L137 H143 L144 L202 | L103-F140 HydrophobicContact CD1-CB 3.97Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.12Å; D136-F140 PolarHBondContact O-N 3.06Å; L137-F140 PolarHBondContact O-N 2.82Å; F140-H143 PolarHBondContact O-N 2.98Å; F140-L144 WeakPolarHBondContact O-CG 3.43Å; F140-L144 PolarHBondContact O-N 3.28Å; F140-L144 VanDerWaalsContact O-N 3.08Å; F140-L202 HydrophobicContact CE1-CD2 3.85Å; F140-L202 HydrophobicContact CZ-CD1 4.47Å; F140-L202 HydrophobicContact CZ-CD2 3.82Å |
| 141 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.5 | -50.6 | 172.4 | 178 | 0 | 0 | 0 | 0 | 111.6 | F60 A100 L104 L137 A138 I139 H143 L144 A145 | F60-S141 WeakPolarHBondContact CZ-OG 3.11Å; A100-S141 VanDerWaalsContact O-CB 3.26Å; A100-S141 WeakPolarHBondContact O-CB 3.48Å; A100-S141 PolarHBondContact O-OG 2.81Å; L104-S141 WeakPolarHBondContact CB-OG 3.37Å; L137-S141 WeakPolarHBondContact O-CB 3.26Å; L137-S141 PolarHBondContact O-N 3.43Å; A138-S141 WeakPolarHBondContact O-CB 3.17Å; A138-S141 PolarHBondContact O-N 3.41Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.88Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.36Å; S141-L144 PolarHBondContact O-N 3.47Å; S141-A145 PolarHBondContact O-N 3.25Å |
| 142 | L | 98.4 | Very high | 98.4 | Very high | 9 Ų | 9 | 24.2 Ų | 24.2 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 179.3 | -66 | 177.3 | 0 | 0 | 0 | 112.5 | F55 F59 A138 I139 G146 I198 | F55-L142 HydrophobicContact CD1-CD1 4.48Å; F55-L142 HydrophobicContact CD1-CD2 3.76Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.84Å; F55-L142 HydrophobicContact CE1-CG 4.34Å; F55-L142 HydrophobicContact CG-CD2 4.39Å; F55-L142 HydrophobicContact CZ-CD1 3.8Å; F59-L142 HydrophobicContact CD2-CD2 3.78Å; F59-L142 HydrophobicContact CE2-CD2 3.87Å; F59-L142 HydrophobicContact CG-CD2 4.34Å; F59-L142 HydrophobicContact CZ-CD2 4.5Å; A138-L142 WeakPolarHBondContact O-CG 3.16Å; A138-L142 PolarHBondContact O-N 3.27Å; I139-L142 PolarHBondContact O-N 3.02Å; L142-G146 PolarHBondContact O-N 3.4Å; L142-I198 HydrophobicContact CB-CD1 3.85Å |
| 143 | H | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 23.3 Ų | 23.3 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 172.5 | -79 | 96.2 | 0 | 0 | 0 | 112 | I139 F140 S141 G146 I147 I198 T199 | I139-H143 WeakPolarHBondContact CG2-CE1 3.34Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.37Å; I139-H143 PolarHBondContact O-N 3.24Å; I139-H143 PolarHBondContact O-ND1 3.27Å; F140-H143 PolarHBondContact O-N 2.98Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.36Å; H143-G146 PolarHBondContact O-N 3.27Å; H143-I147 VanDerWaalsContact O-CG1 3.26Å; H143-I147 WeakPolarHBondContact O-CG1 3.44Å; H143-I147 PolarHBondContact O-N 2.98Å; H143-I198 VanDerWaalsContact CE1-CD1 3.47Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.36Å; H143-I198 VanDerWaalsContact CE1-CG1 3.4Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.48Å; H143-I198 WeakPolarHBondContact ND1-CD1 3.23Å; H143-T199 PolarHBondContact NE2-OG1 2.8Å |
| 144 | L | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 23.4 Ų | 23.4 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | -179.7 | -67.6 | -172.4 | 0 | 0 | 0 | 111.9 | L96 P99 A100 L103 F140 S141 G146 I147 S148 | L96-L144 HydrophobicContact CD2-CD2 4.25Å; P99-L144 HydrophobicContact CB-CD1 4.24Å; P99-L144 HydrophobicContact CG-CD1 4.35Å; A100-L144 HydrophobicContact CB-CB 3.63Å; A100-L144 HydrophobicContact CB-CD1 4.43Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å; F140-L144 WeakPolarHBondContact O-CG 3.43Å; F140-L144 PolarHBondContact O-N 3.28Å; F140-L144 VanDerWaalsContact O-N 3.08Å; S141-L144 PolarHBondContact O-N 3.47Å; L144-G146 VanDerWaalsContact C-N 3.35Å; L144-I147 PolarHBondContact O-N 3.13Å; L144-S148 PolarHBondContact O-N 3.02Å |
| 145 | A | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F60 L97 A100 S141 S148 S149 | F60-A145 HydrophobicContact CE1-CB 4.36Å; F60-A145 HydrophobicContact CZ-CB 4.12Å; L97-A145 HydrophobicContact CD2-CB 4.35Å; A100-A145 HydrophobicContact CB-CB 4.38Å; S141-A145 PolarHBondContact O-N 3.25Å; A145-S148 WeakPolarHBondContact O-CB 3.32Å; A145-S148 PolarHBondContact O-N 3.19Å; A145-S149 PolarHBondContact O-N 3.46Å; A145-S149 VanDerWaalsContact O-N 3.07Å; A145-S149 PolarHBondContact O-OG 3.35Å; A145-S149 VanDerWaalsContact O-OG 3.09Å |
| 146 | G | 98.3 | Very high | 98.6 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 11% | 0.113 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L142 H143 L144 S148 S149 I150 | L142-G146 PolarHBondContact O-N 3.4Å; H143-G146 PolarHBondContact O-N 3.27Å; L144-G146 VanDerWaalsContact C-N 3.35Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.43Å; G146-S149 PolarHBondContact O-N 2.94Å; G146-I150 WeakPolarHBondContact O-CG1 3.32Å; G146-I150 PolarHBondContact O-N 2.93Å |
| 147 | I | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 23.8 Ų | 23.8 | 39% | 0.39 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.4 | -65 | 163.1 | 0 | 0 | 0 | 110.3 | L96 H143 L144 S149 I150 L151 | L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; H143-I147 VanDerWaalsContact O-CG1 3.26Å; H143-I147 WeakPolarHBondContact O-CG1 3.44Å; H143-I147 PolarHBondContact O-N 2.98Å; L144-I147 PolarHBondContact O-N 3.13Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.2Å; I147-I150 PolarHBondContact O-N 3.48Å; I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.18Å; I147-L151 WeakPolarHBondContact O-CB 3.3Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.27Å; I147-L151 PolarHBondContact O-N 2.81Å |
| 148 | S | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51.1 | -49.8 | 174.3 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | S93 L144 A145 G146 L151 G152 | S93-S148 WeakPolarHBondContact CB-O 3.23Å; S93-S148 VanDerWaalsContact O-CB 3.23Å; S93-S148 WeakPolarHBondContact O-CB 3.36Å; S93-S148 PolarHBondContact O-OG 2.88Å; S93-S148 PolarHBondContact OG-O 3.17Å; S93-S148 PolarHBondContact OG-OG 3.43Å; L144-S148 PolarHBondContact O-N 3.02Å; A145-S148 WeakPolarHBondContact O-CB 3.32Å; A145-S148 PolarHBondContact O-N 3.19Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.43Å; S148-L151 PolarHBondContact O-N 3.28Å; S148-G152 PolarHBondContact O-N 3.41Å |
| 149 | S | 98.3 | Very high | 98.6 | Very high | 23 Ų | 23 | 23.5 Ų | 23.5 | 16% | 0.161 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | -177.6 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | A145 G146 I147 G152 A153 L191 | A145-S149 PolarHBondContact O-N 3.46Å; A145-S149 VanDerWaalsContact O-N 3.07Å; A145-S149 PolarHBondContact O-OG 3.35Å; A145-S149 VanDerWaalsContact O-OG 3.09Å; G146-S149 PolarHBondContact O-N 2.94Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.2Å; S149-G152 PolarHBondContact O-N 2.71Å; S149-A153 WeakPolarHBondContact O-CB 3.18Å; S149-A153 PolarHBondContact O-N 2.99Å; S149-L191 VanDerWaalsContact CB-CD1 3.48Å |
| 150 | I | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 23.5 Ų | 23.5 | 23% | 0.226 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.4 | -69.3 | 168 | 0 | 0 | 0 | 110.9 | G146 I147 G152 A153 V154 L188 L191 P192 | G146-I150 WeakPolarHBondContact O-CG1 3.32Å; G146-I150 PolarHBondContact O-N 2.93Å; I147-I150 PolarHBondContact O-N 3.48Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.36Å; I150-A153 PolarHBondContact O-N 2.89Å; I150-V154 WeakPolarHBondContact O-CG2 3.27Å; I150-V154 PolarHBondContact O-N 3.47Å; I150-L188 HydrophobicContact CG2-CD1 4.03Å; I150-L191 HydrophobicContact CD1-CB 3.93Å; I150-L191 HydrophobicContact CG1-CB 3.88Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; I150-P192 HydrophobicContact CD1-CG 4.49Å |
| 151 | L | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 23 Ų | 23 | 17% | 0.173 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 177.4 | -68.5 | -179.9 | 0 | 0 | 0 | 111.3 | M89 M92 L96 I147 S148 N155 | M89-L151 HydrophobicContact CG-CB 3.96Å; M89-L151 HydrophobicContact CG-CD2 3.91Å; M89-L151 HydrophobicContact CG-CG 4.33Å; M89-L151 HydrophobicContact SD-CB 4.35Å; M89-L151 HydrophobicContact SD-CD2 4.01Å; M92-L151 HydrophobicContact CE-CD1 4.37Å; M92-L151 HydrophobicContact CG-CD1 4.14Å; M92-L151 HydrophobicContact SD-CD1 4.14Å; L96-L151 HydrophobicContact CD1-CD1 4.07Å; I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.18Å; I147-L151 WeakPolarHBondContact O-CB 3.3Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.27Å; I147-L151 PolarHBondContact O-N 2.81Å; S148-L151 PolarHBondContact O-N 3.28Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 2.93Å; L151-N155 VanDerWaalsContact O-N 3.16Å |
| 152 | G | 98.4 | Very high | 98.5 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S148 S149 I150 N155 F156 | S148-G152 PolarHBondContact O-N 3.41Å; S149-G152 PolarHBondContact O-N 2.71Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.36Å; G152-N155 WeakPolarHBondContact O-CB 3.41Å; G152-N155 PolarHBondContact O-N 2.99Å; G152-F156 WeakPolarHBondContact O-CD2 3.47Å; G152-F156 PolarHBondContact O-N 2.89Å |
| 153 | A | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S149 I150 N155 F156 I157 A184 L187 L188 | S149-A153 WeakPolarHBondContact O-CB 3.18Å; S149-A153 PolarHBondContact O-N 2.99Å; I150-A153 PolarHBondContact O-N 2.89Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.99Å; A153-F156 PolarHBondContact O-N 3.5Å; A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CD1 3.27Å; A153-I157 VanDerWaalsContact O-CG1 3.27Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.2Å; A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.32Å; A153-L187 HydrophobicContact CB-CB 4.36Å; A153-L188 HydrophobicContact CB-CB 4.37Å |
| 154 | V | 98.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 28% | 0.279 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.7 | -42.3 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F86 M89 I150 T158 L188 | F86-V154 HydrophobicContact CE2-CG1 4.24Å; M89-V154 HydrophobicContact SD-CG1 4.48Å; I150-V154 WeakPolarHBondContact O-CG2 3.27Å; I150-V154 PolarHBondContact O-N 3.47Å; V154-T158 WeakPolarHBondContact O-CB 3.33Å; V154-T158 PolarHBondContact O-N 3.46Å; V154-T158 PolarHBondContact O-OG1 3.14Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.43Å |
| 155 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -43.6 | 179.2 | -170.6 | 23.8 | 0 | 0 | 0 | 112.3 | M84 A85 F86 N90 L151 G152 A153 T158 T159 | M84-N155 HydrophobicContact CE-CB 4.41Å; M84-N155 WeakPolarHBondContact CE-ND2 3.43Å; A85-N155 PolarHBondContact N-OD1 2.96Å; F86-N155 HydrophobicContact CD2-CB 4.28Å; F86-N155 PolarHBondContact N-OD1 3.4Å; N90-N155 WeakPolarHBondContact CB-ND2 3.42Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 2.93Å; L151-N155 VanDerWaalsContact O-N 3.16Å; G152-N155 WeakPolarHBondContact O-CB 3.41Å; G152-N155 PolarHBondContact O-N 2.99Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.99Å; N155-T158 PolarHBondContact O-N 2.87Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.42Å; N155-T159 PolarHBondContact O-N 3.47Å; N155-T159 PolarHBondContact O-OG1 3.22Å |
| 156 | F | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -50.3 | 175.3 | -78.8 | -58.8 | 0 | 0 | 0 | 111.8 | I67 G71 V75 M84 G152 A153 T158 T159 V160 V180 A184 | I67-F156 HydrophobicContact CG2-CD2 4.26Å; I67-F156 HydrophobicContact CG2-CE2 3.81Å; I67-F156 WeakPolarHBondContact O-CE2 3.44Å; I67-F156 VanDerWaalsContact O-CZ 3.27Å; I67-F156 WeakPolarHBondContact O-CZ 3.36Å; G71-F156 WeakPolarHBondContact O-CE1 3.24Å; V75-F156 HydrophobicContact CB-CD1 4.48Å; V75-F156 HydrophobicContact CB-CE1 4.38Å; V75-F156 HydrophobicContact CG1-CD1 4.46Å; V75-F156 HydrophobicContact CG2-CD1 4.4Å; V75-F156 HydrophobicContact CG2-CE1 4.3Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.49Å; M84-F156 VanDerWaalsContact CE-CE1 3.49Å; M84-F156 HydrophobicContact CE-CG 4.12Å; M84-F156 HydrophobicContact CE-CZ 4.21Å; M84-F156 HydrophobicContact SD-CD1 4.48Å; M84-F156 HydrophobicContact SD-CE1 4.25Å; G152-F156 WeakPolarHBondContact O-CD2 3.47Å; G152-F156 PolarHBondContact O-N 2.89Å; A153-F156 PolarHBondContact O-N 3.5Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.86Å; F156-T159 PolarHBondContact O-N 3.21Å; F156-V160 WeakPolarHBondContact O-CB 3.33Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.36Å; F156-V160 PolarHBondContact O-N 2.96Å; F156-V180 HydrophobicContact CB-CG1 4.3Å; F156-V180 HydrophobicContact CD1-CG1 3.79Å; F156-V180 HydrophobicContact CD2-CG1 4.21Å; F156-V180 HydrophobicContact CE1-CG1 4.2Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F156-A184 HydrophobicContact CB-CB 4.13Å |
| 157 | I | 98.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56 | -48.4 | 178.5 | -68.4 | 162.5 | 0 | 0 | 0 | 109.9 | A153 T159 V160 I161 A184 L185 L188 | A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CD1 3.27Å; A153-I157 VanDerWaalsContact O-CG1 3.27Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.2Å; I157-T159 PolarHBondContact O-N 3.09Å; I157-V160 PolarHBondContact O-N 3.18Å; I157-I161 HydrophobicContact CG2-CD1 3.62Å; I157-I161 HydrophobicContact CG2-CG1 4.47Å; I157-I161 WeakPolarHBondContact O-CB 3.45Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.15Å; I157-I161 PolarHBondContact O-N 3.48Å; I157-A184 HydrophobicContact CD1-CB 4.17Å; I157-A184 HydrophobicContact CG1-CB 3.85Å; I157-L185 HydrophobicContact CD1-CD2 3.79Å; I157-L185 HydrophobicContact CD1-CG 4.17Å; I157-L185 HydrophobicContact CG1-CD2 4.32Å; I157-L185 HydrophobicContact CG1-CG 4.4Å; I157-L188 HydrophobicContact CD1-CD2 3.87Å |
| 158 | T | 98.7 | Very high | 97.8 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | -178.3 | -53.8 | 0 | 0 | 0 | 0 | 112 | A85 F86 V154 N155 F156 I161 N162 | A85-T158 HydrophobicContact CB-CG2 3.69Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.47Å; F86-T158 HydrophobicContact CZ-CG2 3.7Å; V154-T158 WeakPolarHBondContact O-CB 3.33Å; V154-T158 PolarHBondContact O-N 3.46Å; V154-T158 PolarHBondContact O-OG1 3.14Å; N155-T158 PolarHBondContact O-N 2.87Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.86Å; T158-I161 PolarHBondContact O-N 2.96Å; T158-N162 WeakPolarHBondContact O-CB 3.23Å; T158-N162 PolarHBondContact O-N 3.35Å; T158-N162 PolarHBondContact O-ND2 3Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å |
| 159 | T | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | M84 A85 N155 F156 I157 I161 N162 M163 | M84-T159 HydrophobicContact SD-CG2 4.05Å; A85-T159 WeakPolarHBondContact CB-OG1 3.37Å; A85-T159 PolarHBondContact N-OG1 3.09Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.42Å; N155-T159 PolarHBondContact O-N 3.47Å; N155-T159 PolarHBondContact O-OG1 3.22Å; F156-T159 PolarHBondContact O-N 3.21Å; I157-T159 PolarHBondContact O-N 3.09Å; T159-I161 VanDerWaalsContact C-N 3.32Å; T159-I161 PolarHBondContact O-N 2.7Å; T159-N162 PolarHBondContact O-N 2.83Å; T159-M163 HydrophobicContact CG2-CB 4.29Å; T159-M163 HydrophobicContact CG2-SD 4.13Å; T159-M163 WeakPolarHBondContact O-CB 3.11Å; T159-M163 PolarHBondContact O-N 3.15Å |
| 160 | V | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | -179.2 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | V75 L79 F156 I157 R164 M173 V177 V181 | V75-V160 HydrophobicContact CG1-CG2 3.78Å; L79-V160 HydrophobicContact CD1-CB 4.33Å; L79-V160 HydrophobicContact CD1-CG2 4.05Å; F156-V160 WeakPolarHBondContact O-CB 3.33Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.36Å; F156-V160 PolarHBondContact O-N 2.96Å; I157-V160 PolarHBondContact O-N 3.18Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-NH1 3.04Å; V160-M173 HydrophobicContact CG1-CE 4.09Å; V160-M173 HydrophobicContact CG1-SD 3.59Å; V160-M173 VanDerWaalsContact CG1-SD 3.59Å; V160-V177 HydrophobicContact CG1-CG1 3.9Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.32Å; V160-V181 HydrophobicContact CG1-CG2 3.69Å; V160-V181 HydrophobicContact CG2-CG2 3.83Å |
| 161 | I | 97.8 | Very high | 97.3 | Very high | 89 Ų | 89 | 49.1 Ų | 49.1 | 46% | 0.456 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.8 | -42.7 | -179 | -69.4 | 173.9 | 0 | 0 | 0 | 112.1 | I157 T158 T159 R164 | I157-I161 HydrophobicContact CG2-CD1 3.62Å; I157-I161 HydrophobicContact CG2-CG1 4.47Å; I157-I161 WeakPolarHBondContact O-CB 3.45Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.15Å; I157-I161 PolarHBondContact O-N 3.48Å; T158-I161 PolarHBondContact O-N 2.96Å; T159-I161 VanDerWaalsContact C-N 3.32Å; T159-I161 PolarHBondContact O-N 2.7Å; I161-R164 VanDerWaalsContact CA-NH1 3.27Å; I161-R164 PolarHBondContact O-NH1 3.34Å; I161-R164 PolarHBondContact O-NH2 2.99Å |
| 162 | N | 98.1 | Very high | 97.2 | Very high | 114 Ų | 114 | 56.1 Ų | 56.1 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -109.4 | -17.6 | -164 | -63 | -63.1 | 0 | 0 | 0 | 115.4 | T158 T159 | T158-N162 WeakPolarHBondContact O-CB 3.23Å; T158-N162 PolarHBondContact O-N 3.35Å; T158-N162 PolarHBondContact O-ND2 3Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å; T159-N162 PolarHBondContact O-N 2.83Å |
| 163 | M | 97.9 | Very high | 97.2 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 26% | 0.261 | 31% | 0.309 | S | S | . | . | trans | -112 | 15 | -169.8 | -57.3 | -171.3 | 69.5 | 0 | 0 | 114.4 | A81 P82 D83 A85 T159 | A81-M163 HydrophobicContact CB-CB 3.93Å; A81-M163 WeakPolarHBondContact CB-O 3.42Å; P82-M163 HydrophobicContact CG-CE 4.27Å; D83-M163 VanDerWaalsContact O-CE 3.26Å; D83-M163 WeakPolarHBondContact O-CE 3.31Å; A85-M163 WeakPolarHBondContact CA-SD 3.41Å; A85-M163 HydrophobicContact CB-SD 3.71Å; A85-M163 PolarHBondContact N-SD 3.02Å; T159-M163 HydrophobicContact CG2-CB 4.29Å; T159-M163 HydrophobicContact CG2-SD 4.13Å; T159-M163 WeakPolarHBondContact O-CB 3.11Å; T159-M163 PolarHBondContact O-N 3.15Å | ||
| 164 | R | 97.3 | Very high | 97.1 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.1 | 175.5 | -54.8 | -171.1 | -65.1 | -79.7 | -13.5 | 110.5 | L79 V160 I161 I168 M173 | L79-R164 HydrophobicContact CD1-CG 4.33Å; L79-R164 HydrophobicContact CD2-CG 3.83Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-NH1 3.04Å; I161-R164 VanDerWaalsContact CA-NH1 3.27Å; I161-R164 PolarHBondContact O-NH1 3.34Å; I161-R164 PolarHBondContact O-NH2 2.99Å; R164-I168 HydrophobicContact CB-CB 4.36Å; R164-I168 PolarHBondContact NE-O 2.95Å; R164-M173 VanDerWaalsContact CD-SD 3.56Å |
| 165 | S | 96.3 | Very high | 97.1 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 153.7 | 171 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | L79 G167 I168 | L79-S165 WeakPolarHBondContact O-CB 3.37Å; L79-S165 PolarHBondContact O-N 2.83Å; L79-S165 PolarHBondContact O-OG 3.15Å; S165-G167 PolarHBondContact O-N 3.28Å; S165-I168 PolarHBondContact O-N 3.17Å; S165-I168 VanDerWaalsContact O-N 3.13Å; S165-I168 WeakPolarHBondContact OG-CD1 3.32Å |
| 166 | T | 94.6 | Very high | 97.1 | Very high | 155 Ų | 155 | 66.1 Ų | 66.1 | 95% | 0.951 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 127.6 | 178.1 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 167 | G | 92.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 66 Ų | 66 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -12.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S165 S169 | S165-G167 PolarHBondContact O-N 3.28Å; G167-S169 PolarHBondContact O-N 3.21Å |
| 168 | I | 96.5 | Very high | 97.1 | Very high | 41 Ų | 41 | 69 Ų | 69 | 21% | 0.21 | 37% | 0.369 | C | S | . | . | trans | -89.3 | 89.2 | 168.3 | -54.4 | -175.5 | 0 | 0 | 0 | 109.3 | R164 S165 M173 | R164-I168 HydrophobicContact CB-CB 4.36Å; R164-I168 PolarHBondContact NE-O 2.95Å; S165-I168 PolarHBondContact O-N 3.17Å; S165-I168 VanDerWaalsContact O-N 3.13Å; S165-I168 WeakPolarHBondContact OG-CD1 3.32Å; I168-M173 HydrophobicContact CG2-CG 3.94Å | ||
| 169 | S | 95.6 | Very high | 97.1 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | trans | -73.8 | 164 | 165.8 | 55.6 | 0 | 0 | 0 | 0 | 111 | G167 D171 R172 M173 | G167-S169 PolarHBondContact O-N 3.21Å; S169-D171 VanDerWaalsContact C-N 3.31Å; S169-D171 WeakPolarHBondContact CB-OD1 3.46Å; S169-D171 PolarHBondContact O-N 2.71Å; S169-D171 PolarHBondContact OG-OD1 2.94Å; S169-R172 PolarHBondContact O-N 3.37Å; S169-R172 WeakPolarHBondContact OG-CD 3.37Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; S169-M173 PolarHBondContact O-N 2.99Å | ||
| 170 | L | 95.5 | Very high | 97.1 | Very high | 85 Ų | 85 | 70.3 Ų | 70.3 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -58.9 | -41.4 | -175.6 | -72.6 | 172.8 | 0 | 0 | 0 | 112.5 | R172 M173 W178 | L170-R172 PolarHBondContact O-N 3.02Å; L170-M173 HydrophobicContact CB-CE 4.41Å; L170-M173 HydrophobicContact CD2-CE 3.51Å; L170-M173 HydrophobicContact CD2-SD 3.94Å; L170-M173 PolarHBondContact O-N 2.9Å; L170-W178 HydrophobicContact CB-CZ2 4.15Å; L170-W178 VanDerWaalsContact O-CZ2 3.27Å; L170-W178 WeakPolarHBondContact O-CZ2 3.38Å; L170-W178 PolarHBondContact O-NE1 3.24Å |
| 171 | D | 95.9 | Very high | 97.1 | Very high | 126 Ų | 126 | 70.8 Ų | 70.8 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -63.7 | -17.3 | 176.4 | 60.2 | -52.7 | 0 | 0 | 0 | 113.6 | S169 | S169-D171 VanDerWaalsContact C-N 3.31Å; S169-D171 WeakPolarHBondContact CB-OD1 3.46Å; S169-D171 PolarHBondContact O-N 2.71Å; S169-D171 PolarHBondContact OG-OD1 2.94Å |
| 172 | R | 95.9 | Very high | 97.1 | Very high | 180 Ų | 180 | 70.9 Ų | 70.9 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -106 | 3.8 | -179.1 | -62.1 | -178.6 | -177.4 | -169.3 | -2.3 | 113.6 | S169 L170 | S169-R172 PolarHBondContact O-N 3.37Å; S169-R172 WeakPolarHBondContact OG-CD 3.37Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; L170-R172 PolarHBondContact O-N 3.02Å |
| 173 | M | 97.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -67.6 | 142.4 | 176.7 | -66.9 | -170.3 | -57.7 | 0 | 0 | 111.2 | L79 V160 R164 I168 S169 L170 V177 W178 | L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.3Å; V160-M173 HydrophobicContact CG1-CE 4.09Å; V160-M173 HydrophobicContact CG1-SD 3.59Å; V160-M173 VanDerWaalsContact CG1-SD 3.59Å; R164-M173 VanDerWaalsContact CD-SD 3.56Å; I168-M173 HydrophobicContact CG2-CG 3.94Å; S169-M173 PolarHBondContact O-N 2.99Å; L170-M173 HydrophobicContact CB-CE 4.41Å; L170-M173 HydrophobicContact CD2-CE 3.51Å; L170-M173 HydrophobicContact CD2-SD 3.94Å; L170-M173 PolarHBondContact O-N 2.9Å; M173-V177 HydrophobicContact SD-CG1 4.26Å; M173-W178 HydrophobicContact CE-CD2 3.76Å; M173-W178 HydrophobicContact CE-CE3 4.21Å; M173-W178 HydrophobicContact CE-CG 4.31Å; M173-W178 HydrophobicContact CE-CH2 3.98Å; M173-W178 HydrophobicContact CE-CZ2 3.5Å; M173-W178 HydrophobicContact CE-CZ3 4.3Å |
| 174 | P | 98 | Very high | 97.1 | Very high | 49 Ų | 49 | 65.1 Ų | 65.1 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | trans | -56.7 | 144.9 | 173.8 | -27.2 | 37.6 | 0 | 0 | 0 | 112.2 | M78 F176 V177 W178 | M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.28Å; P174-F176 PolarHBondContact O-N 2.98Å; P174-V177 HydrophobicContact CB-CG2 4.27Å; P174-V177 HydrophobicContact CG-CG2 4.42Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 3.33Å; P174-W178 PolarHBondContact O-N 2.94Å; P174-W178 VanDerWaalsContact O-N 3.12Å | ||
| 175 | L | 98.3 | Very high | 97.2 | Very high | 151 Ų | 151 | 65.7 Ų | 65.7 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58 | -33.9 | -177.4 | -66.7 | 177.6 | 0 | 0 | 0 | 113.2 | V177 W178 S179 | L175-V177 VanDerWaalsContact C-N 3.35Å; L175-W178 WeakPolarHBondContact O-CB 3.36Å; L175-W178 PolarHBondContact O-N 2.76Å; L175-S179 PolarHBondContact O-N 3.28Å |
| 176 | F | 98.4 | Very high | 97.3 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 23% | 0.228 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 174.6 | 178.8 | -101 | 0 | 0 | 0 | 112.6 | F70 L74 V75 M78 P174 W178 S179 V180 | F70-F176 HydrophobicContact CB-CE2 4.32Å; F70-F176 HydrophobicContact CB-CZ 3.74Å; L74-F176 HydrophobicContact CB-CD1 4.23Å; L74-F176 HydrophobicContact CB-CE1 3.8Å; L74-F176 HydrophobicContact CD1-CE1 4.11Å; L74-F176 HydrophobicContact CD1-CZ 4.37Å; V75-F176 HydrophobicContact CG2-CE1 4.07Å; M78-F176 HydrophobicContact CE-CB 4.4Å; M78-F176 HydrophobicContact CE-CD1 4.12Å; M78-F176 HydrophobicContact CE-CG 4.49Å; M78-F176 HydrophobicContact SD-CB 4.09Å; M78-F176 HydrophobicContact SD-CD1 3.69Å; M78-F176 HydrophobicContact SD-CG 4.3Å; P174-F176 PolarHBondContact O-N 2.98Å; F176-W178 VanDerWaalsContact C-N 3.33Å; F176-S179 WeakPolarHBondContact CA-OG 3.47Å; F176-S179 PolarHBondContact O-N 3.42Å; F176-S179 PolarHBondContact O-OG 2.99Å; F176-V180 HydrophobicContact CD1-CG2 4.38Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; F176-V180 HydrophobicContact CE2-CG2 4.09Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.25Å; F176-V180 PolarHBondContact O-N 2.81Å |
| 177 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | V75 M78 L79 V160 M173 P174 L175 V180 V181 | V75-V177 HydrophobicContact CG1-CG1 4.33Å; M78-V177 HydrophobicContact CB-CG2 3.69Å; M78-V177 HydrophobicContact SD-CG2 4.06Å; L79-V177 HydrophobicContact CD1-CG1 4.29Å; L79-V177 HydrophobicContact CD2-CG1 3.95Å; L79-V177 HydrophobicContact CD2-CG2 4.42Å; L79-V177 HydrophobicContact CG-CG1 4.23Å; L79-V177 HydrophobicContact CG-CG2 4.46Å; V160-V177 HydrophobicContact CG1-CG1 3.9Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; M173-V177 HydrophobicContact SD-CG1 4.26Å; P174-V177 HydrophobicContact CB-CG2 4.27Å; P174-V177 HydrophobicContact CG-CG2 4.42Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 3.33Å; L175-V177 VanDerWaalsContact C-N 3.35Å; V177-V180 PolarHBondContact O-N 3.19Å; V177-V181 PolarHBondContact O-N 3.37Å |
| 178 | W | 98.5 | Very high | 97.6 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 172.4 | -90.5 | 114.8 | 0 | 0 | 0 | 112.5 | L170 M173 P174 L175 F176 V180 V181 I182 | L170-W178 HydrophobicContact CB-CZ2 4.15Å; L170-W178 VanDerWaalsContact O-CZ2 3.27Å; L170-W178 WeakPolarHBondContact O-CZ2 3.38Å; L170-W178 PolarHBondContact O-NE1 3.24Å; M173-W178 HydrophobicContact CE-CD2 3.76Å; M173-W178 HydrophobicContact CE-CE3 4.21Å; M173-W178 HydrophobicContact CE-CG 4.31Å; M173-W178 HydrophobicContact CE-CH2 3.98Å; M173-W178 HydrophobicContact CE-CZ2 3.5Å; M173-W178 HydrophobicContact CE-CZ3 4.3Å; P174-W178 PolarHBondContact O-N 2.94Å; P174-W178 VanDerWaalsContact O-N 3.12Å; L175-W178 WeakPolarHBondContact O-CB 3.36Å; L175-W178 PolarHBondContact O-N 2.76Å; F176-W178 VanDerWaalsContact C-N 3.33Å; W178-V180 VanDerWaalsContact C-N 3.35Å; W178-V180 PolarHBondContact O-N 3.48Å; W178-V181 HydrophobicContact CE3-CG1 4.03Å; W178-V181 HydrophobicContact CZ3-CG1 4.24Å; W178-V181 PolarHBondContact O-N 3.3Å; W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 2.9Å |
| 179 | S | 98.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 64 Ų | 64 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 178.5 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | L175 F176 V181 I182 T183 | L175-S179 PolarHBondContact O-N 3.28Å; F176-S179 WeakPolarHBondContact CA-OG 3.47Å; F176-S179 PolarHBondContact O-N 3.42Å; F176-S179 PolarHBondContact O-OG 2.99Å; S179-V181 PolarHBondContact O-N 3.33Å; S179-I182 PolarHBondContact O-N 3.44Å; S179-T183 PolarHBondContact O-N 3.37Å; S179-T183 PolarHBondContact O-OG1 3.39Å; S179-T183 VanDerWaalsContact O-OG1 3.08Å |
| 180 | V | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.7 | 174 | 0 | 0 | 0 | 0 | 111.7 | V75 F156 F176 V177 W178 T183 A184 | V75-V180 HydrophobicContact CG2-CB 4.12Å; V75-V180 HydrophobicContact CG2-CG1 4.03Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å; F156-V180 HydrophobicContact CB-CG1 4.3Å; F156-V180 HydrophobicContact CD1-CG1 3.79Å; F156-V180 HydrophobicContact CD2-CG1 4.21Å; F156-V180 HydrophobicContact CE1-CG1 4.2Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F176-V180 HydrophobicContact CD1-CG2 4.38Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; F176-V180 HydrophobicContact CE2-CG2 4.09Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.25Å; F176-V180 PolarHBondContact O-N 2.81Å; V177-V180 PolarHBondContact O-N 3.19Å; W178-V180 VanDerWaalsContact C-N 3.35Å; W178-V180 PolarHBondContact O-N 3.48Å; V180-T183 PolarHBondContact O-N 3.41Å; V180-A184 VanDerWaalsContact O-CB 3.3Å; V180-A184 WeakPolarHBondContact O-CB 3.5Å; V180-A184 PolarHBondContact O-N 3.28Å |
| 181 | V | 98 | Very high | 97.8 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 179.8 | 112.5 | 0 | 0 | 0 | 0 | 112.3 | V160 V177 W178 S179 A184 L185 | V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.32Å; V160-V181 HydrophobicContact CG1-CG2 3.69Å; V160-V181 HydrophobicContact CG2-CG2 3.83Å; V177-V181 PolarHBondContact O-N 3.37Å; W178-V181 HydrophobicContact CE3-CG1 4.03Å; W178-V181 HydrophobicContact CZ3-CG1 4.24Å; W178-V181 PolarHBondContact O-N 3.3Å; S179-V181 PolarHBondContact O-N 3.33Å; V181-A184 PolarHBondContact O-N 3.05Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 3.23Å |
| 182 | I | 98.4 | Very high | 97.9 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 46% | 0.462 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.6 | -48.5 | 176.1 | -68.4 | 167.6 | 0 | 0 | 0 | 109.5 | W178 S179 A184 L185 L186 | W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 2.9Å; S179-I182 PolarHBondContact O-N 3.44Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 3.27Å; I182-L185 PolarHBondContact O-N 2.91Å; I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.35Å; I182-L186 PolarHBondContact O-N 3.08Å |
| 183 | T | 98.3 | Very high | 98.1 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58 | -45.1 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | I67 S179 V180 L185 L186 L187 | I67-T183 HydrophobicContact CD1-CG2 3.65Å; I67-T183 HydrophobicContact CG1-CG2 4.06Å; S179-T183 PolarHBondContact O-N 3.37Å; S179-T183 PolarHBondContact O-OG1 3.39Å; S179-T183 VanDerWaalsContact O-OG1 3.08Å; V180-T183 PolarHBondContact O-N 3.41Å; T183-L185 VanDerWaalsContact C-N 3.31Å; T183-L185 PolarHBondContact O-N 3.19Å; T183-L186 PolarHBondContact O-N 3.41Å; T183-L186 VanDerWaalsContact O-N 3.15Å; T183-L187 HydrophobicContact CG2-CD1 3.95Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 VanDerWaalsContact O-CG 3.28Å; T183-L187 WeakPolarHBondContact O-CG 3.26Å; T183-L187 PolarHBondContact O-N 3.13Å |
| 184 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A153 F156 I157 V180 V181 I182 L188 | A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.32Å; F156-A184 HydrophobicContact CB-CB 4.13Å; I157-A184 HydrophobicContact CD1-CB 4.17Å; I157-A184 HydrophobicContact CG1-CB 3.85Å; V180-A184 VanDerWaalsContact O-CB 3.3Å; V180-A184 WeakPolarHBondContact O-CB 3.5Å; V180-A184 PolarHBondContact O-N 3.28Å; V181-A184 PolarHBondContact O-N 3.05Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.48Å; A184-L188 PolarHBondContact O-N 3.2Å |
| 185 | L | 98.6 | Very high | 98.1 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175 | -74.1 | 167.5 | 0 | 0 | 0 | 111.9 | I157 V181 I182 T183 L188 L189 | I157-L185 HydrophobicContact CD1-CD2 3.79Å; I157-L185 HydrophobicContact CD1-CG 4.17Å; I157-L185 HydrophobicContact CG1-CD2 4.32Å; I157-L185 HydrophobicContact CG1-CG 4.4Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 3.23Å; I182-L185 PolarHBondContact O-N 2.91Å; T183-L185 VanDerWaalsContact C-N 3.31Å; T183-L185 PolarHBondContact O-N 3.19Å; L185-L188 PolarHBondContact O-N 3.37Å; L185-L189 WeakPolarHBondContact O-CG 3.29Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.16Å |
| 186 | L | 98.3 | Very high | 98.1 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -46 | 177.7 | -66.8 | 175.5 | 0 | 0 | 0 | 111.3 | I182 T183 L188 L189 S190 | I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.35Å; I182-L186 PolarHBondContact O-N 3.08Å; T183-L186 PolarHBondContact O-N 3.41Å; T183-L186 VanDerWaalsContact O-N 3.15Å; L186-L188 PolarHBondContact O-N 3.27Å; L186-L189 PolarHBondContact O-N 2.91Å; L186-S190 WeakPolarHBondContact O-CB 3.26Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 3.33Å |
| 187 | L | 96.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 177.5 | -67.1 | 173.2 | 0 | 0 | 0 | 112.1 | M63 A153 T183 L189 S190 L191 E234 | M63-L187 HydrophobicContact CE-CD1 3.65Å; M63-L187 HydrophobicContact CE-CD2 3.38Å; M63-L187 HydrophobicContact CE-CG 4.13Å; A153-L187 HydrophobicContact CB-CB 4.36Å; T183-L187 HydrophobicContact CG2-CD1 3.95Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 VanDerWaalsContact O-CG 3.28Å; T183-L187 WeakPolarHBondContact O-CG 3.26Å; T183-L187 PolarHBondContact O-N 3.13Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.08Å; L187-S190 PolarHBondContact O-N 2.57Å; L187-L191 HydrophobicContact CB-CD1 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.16Å; L187-L191 HydrophobicContact CD2-CG 4.45Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.48Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 3.21Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.32Å |
| 188 | L | 97.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 39.4 Ų | 39.4 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -35.1 | -179.5 | -176.4 | 61.5 | 0 | 0 | 0 | 112.2 | I150 A153 V154 I157 A184 L185 L186 P192 | I150-L188 HydrophobicContact CG2-CD1 4.03Å; A153-L188 HydrophobicContact CB-CB 4.37Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.43Å; I157-L188 HydrophobicContact CD1-CD2 3.87Å; A184-L188 WeakPolarHBondContact O-CB 3.48Å; A184-L188 PolarHBondContact O-N 3.2Å; L185-L188 PolarHBondContact O-N 3.37Å; L186-L188 PolarHBondContact O-N 3.27Å; L188-P192 VanDerWaalsContact O-CD 3.3Å; L188-P192 WeakPolarHBondContact O-CD 3.39Å; L188-P192 WeakPolarHBondContact O-CG 3.3Å |
| 189 | L | 97.9 | Very high | 98.1 | Very high | 127 Ų | 127 | 38 Ų | 38 | 67% | 0.665 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -85.2 | -31.3 | -179.2 | -65.7 | 174.7 | 0 | 0 | 0 | 113.3 | L185 L186 L187 | L185-L189 WeakPolarHBondContact O-CG 3.29Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.16Å; L186-L189 PolarHBondContact O-N 2.91Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.08Å |
| 190 | S | 97.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -93 | -42.3 | -172.3 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | L186 L187 P192 V193 L194 | L186-S190 WeakPolarHBondContact O-CB 3.26Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 3.33Å; L187-S190 PolarHBondContact O-N 2.57Å; S190-P192 VanDerWaalsContact C-CD 3.45Å; S190-V193 WeakPolarHBondContact O-CB 3.33Å; S190-V193 PolarHBondContact O-N 3.46Å; S190-L194 PolarHBondContact O-N 3.18Å |
| 191 | L | 97.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.6 | -35.5 | -176 | -73.5 | 169.2 | 0 | 0 | 0 | 114.7 | S149 I150 L187 V193 L194 A195 F230 | S149-L191 VanDerWaalsContact CB-CD1 3.48Å; I150-L191 HydrophobicContact CD1-CB 3.93Å; I150-L191 HydrophobicContact CG1-CB 3.88Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; L187-L191 HydrophobicContact CB-CD1 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.16Å; L187-L191 HydrophobicContact CD2-CG 4.45Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.48Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 3.21Å; L191-V193 PolarHBondContact O-N 2.6Å; L191-L194 HydrophobicContact CD2-CD2 4.49Å; L191-L194 PolarHBondContact O-N 3.26Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 2.82Å; L191-F230 HydrophobicContact CD2-CD2 4.03Å; L191-F230 HydrophobicContact CD2-CE2 3.45Å; L191-F230 VanDerWaalsContact CD2-CE2 3.45Å; L191-F230 HydrophobicContact CD2-CZ 4.23Å; L191-F230 HydrophobicContact CG-CE2 4.23Å |
| 192 | P | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 38 Ų | 38 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -31.8 | 174.2 | -26.5 | 36.5 | 0 | 0 | 0 | 113.4 | I150 L188 S190 G196 | I150-P192 HydrophobicContact CD1-CG 4.49Å; L188-P192 VanDerWaalsContact O-CD 3.3Å; L188-P192 WeakPolarHBondContact O-CD 3.39Å; L188-P192 WeakPolarHBondContact O-CG 3.3Å; S190-P192 VanDerWaalsContact C-CD 3.45Å; P192-G196 PolarHBondContact O-N 3.34Å |
| 193 | V | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 35 Ų | 35 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.7 | -43 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | S190 L191 G196 A197 L226 F229 | S190-V193 WeakPolarHBondContact O-CB 3.33Å; S190-V193 PolarHBondContact O-N 3.46Å; L191-V193 PolarHBondContact O-N 2.6Å; V193-G196 PolarHBondContact O-N 3.06Å; V193-A197 PolarHBondContact O-N 3.43Å; V193-L226 HydrophobicContact CG1-CB 4.22Å; V193-L226 HydrophobicContact CG1-CD2 3.89Å; V193-F229 HydrophobicContact CB-CD1 3.83Å; V193-F229 HydrophobicContact CB-CE1 4.35Å; V193-F229 HydrophobicContact CG1-CB 4.22Å; V193-F229 HydrophobicContact CG1-CD1 3.81Å; V193-F229 HydrophobicContact CG1-CG 4.26Å; V193-F229 HydrophobicContact CG2-CD1 3.6Å; V193-F229 HydrophobicContact CG2-CE1 3.62Å |
| 194 | L | 97.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.1 | -51.8 | 171.3 | 177 | 68.1 | 0 | 0 | 0 | 110.8 | S190 L191 G196 A197 I198 F227 F230 | S190-L194 PolarHBondContact O-N 3.18Å; L191-L194 HydrophobicContact CD2-CD2 4.49Å; L191-L194 PolarHBondContact O-N 3.26Å; L194-G196 PolarHBondContact O-N 2.91Å; L194-A197 WeakPolarHBondContact O-CA 3.44Å; L194-A197 WeakPolarHBondContact O-CB 3.34Å; L194-A197 PolarHBondContact O-N 2.87Å; L194-I198 HydrophobicContact CD1-CG2 4.01Å; L194-I198 WeakPolarHBondContact O-CG1 3.34Å; L194-I198 PolarHBondContact O-N 2.91Å; L194-F227 HydrophobicContact CD1-CD2 3.96Å; L194-F227 HydrophobicContact CD1-CE2 4.19Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.86Å; L194-F230 HydrophobicContact CB-CD2 4.04Å; L194-F230 HydrophobicContact CB-CE1 4.48Å; L194-F230 HydrophobicContact CB-CG 3.61Å; L194-F230 HydrophobicContact CD1-CD1 3.82Å; L194-F230 HydrophobicContact CD1-CE1 4.21Å; L194-F230 HydrophobicContact CD1-CG 4.44Å; L194-F230 HydrophobicContact CD2-CD1 3.83Å; L194-F230 HydrophobicContact CD2-CD2 4.37Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.21Å; L194-F230 HydrophobicContact CD2-CZ 3.79Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.3Å; L194-F230 HydrophobicContact CG-CG 4.29Å |
| 195 | A | 98.3 | Very high | 98.2 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 26% | 0.264 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.4 | -41.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L191 T199 | L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 2.82Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.49Å; A195-T199 PolarHBondContact O-N 3.43Å; A195-T199 PolarHBondContact O-OG1 3.47Å |
| 196 | G | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P192 V193 L194 T199 M200 | P192-G196 PolarHBondContact O-N 3.34Å; V193-G196 PolarHBondContact O-N 3.06Å; L194-G196 PolarHBondContact O-N 2.91Å; G196-T199 PolarHBondContact O-N 3.46Å; G196-M200 WeakPolarHBondContact O-CE 3.28Å; G196-M200 WeakPolarHBondContact O-CG 3.17Å; G196-M200 PolarHBondContact O-N 2.61Å |
| 197 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V193 L194 T199 M200 L201 Y223 L226 | V193-A197 PolarHBondContact O-N 3.43Å; L194-A197 WeakPolarHBondContact O-CA 3.44Å; L194-A197 WeakPolarHBondContact O-CB 3.34Å; L194-A197 PolarHBondContact O-N 2.87Å; A197-T199 VanDerWaalsContact C-N 3.34Å; A197-M200 PolarHBondContact O-N 3.5Å; A197-L201 PolarHBondContact O-N 3.28Å; A197-Y223 HydrophobicContact CB-CE2 4.35Å; A197-L226 HydrophobicContact CB-CB 3.71Å; A197-L226 HydrophobicContact CB-CD1 4.08Å |
| 198 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74 | -25.3 | -179 | 63.7 | 173.5 | 0 | 0 | 0 | 112.3 | I139 L142 H143 L194 L202 | I139-I198 HydrophobicContact CG1-CB 4.38Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.29Å; I139-I198 HydrophobicContact CG2-CG1 4.27Å; L142-I198 HydrophobicContact CB-CD1 3.85Å; H143-I198 VanDerWaalsContact CE1-CD1 3.47Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.36Å; H143-I198 VanDerWaalsContact CE1-CG1 3.4Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.48Å; H143-I198 WeakPolarHBondContact ND1-CD1 3.23Å; L194-I198 HydrophobicContact CD1-CG2 4.01Å; L194-I198 WeakPolarHBondContact O-CG1 3.34Å; L194-I198 PolarHBondContact O-N 2.91Å; I198-L202 WeakPolarHBondContact O-CB 3.26Å; I198-L202 PolarHBondContact O-N 3.32Å |
| 199 | T | 98.7 | Very high | 98.1 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 37% | 0.368 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69 | -46.8 | 169.3 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | H143 A195 G196 A197 L201 L202 T203 | H143-T199 PolarHBondContact NE2-OG1 2.8Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.49Å; A195-T199 PolarHBondContact O-N 3.43Å; A195-T199 PolarHBondContact O-OG1 3.47Å; G196-T199 PolarHBondContact O-N 3.46Å; A197-T199 VanDerWaalsContact C-N 3.34Å; T199-L201 PolarHBondContact O-N 2.96Å; T199-L202 WeakPolarHBondContact O-CB 3.4Å; T199-L202 PolarHBondContact O-N 2.94Å; T199-L202 VanDerWaalsContact O-N 3.08Å; T199-T203 WeakPolarHBondContact O-CG2 3.22Å; T199-T203 PolarHBondContact O-N 3.12Å |
| 200 | M | 98.7 | Very high | 98.1 | Very high | 43 Ų | 43 | 41 Ų | 41 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -38.4 | 175 | -75.7 | -177.2 | -77.6 | 0 | 0 | 111.3 | G196 A197 T203 D204 F211 F212 L226 | G196-M200 WeakPolarHBondContact O-CE 3.28Å; G196-M200 WeakPolarHBondContact O-CG 3.17Å; G196-M200 PolarHBondContact O-N 2.61Å; A197-M200 PolarHBondContact O-N 3.5Å; M200-T203 PolarHBondContact O-N 3.37Å; M200-T203 PolarHBondContact O-OG1 3.03Å; M200-D204 PolarHBondContact O-N 3.08Å; M200-F211 HydrophobicContact CB-CB 4.18Å; M200-F211 HydrophobicContact CB-CD2 3.76Å; M200-F211 HydrophobicContact CB-CE2 4.28Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.07Å; M200-F211 HydrophobicContact CG-CD2 3.83Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.92Å; M200-F211 HydrophobicContact CG-CG 3.91Å; M200-F211 HydrophobicContact CG-CZ 4.09Å; M200-F211 HydrophobicContact SD-CB 4.47Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.44Å; M200-F211 HydrophobicContact SD-CE1 3.85Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.38Å; M200-F212 HydrophobicContact CB-CE2 3.61Å; M200-F212 HydrophobicContact CB-CZ 3.73Å; M200-F212 HydrophobicContact CE-CZ 4.31Å; M200-F212 HydrophobicContact SD-CZ 4.47Å; M200-L226 HydrophobicContact CE-CD1 3.34Å |
| 201 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 175.4 | 178.1 | 62.8 | 0 | 0 | 0 | 111.1 | V120 P122 S125 I139 A197 T199 T203 D204 R205 F212 Y223 | V120-L201 HydrophobicContact CG1-CD2 3.81Å; P122-L201 HydrophobicContact CB-CD1 4.12Å; P122-L201 HydrophobicContact CG-CD1 4.45Å; S125-L201 WeakPolarHBondContact OG-CD2 3.42Å; I139-L201 HydrophobicContact CD1-CD2 4Å; I139-L201 HydrophobicContact CD1-CG 4.14Å; A197-L201 PolarHBondContact O-N 3.28Å; T199-L201 PolarHBondContact O-N 2.96Å; L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 2.97Å; L201-D204 PolarHBondContact O-N 3.27Å; L201-R205 HydrophobicContact CD1-CG 4.4Å; L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.22Å; L201-R205 WeakPolarHBondContact O-CG 3.42Å; L201-R205 PolarHBondContact O-N 3.4Å; L201-F212 HydrophobicContact CB-CD2 4.31Å; L201-F212 HydrophobicContact CB-CE2 4.02Å; L201-F212 HydrophobicContact CD1-CD2 4.38Å; L201-Y223 HydrophobicContact CB-CE2 4.16Å; L201-Y223 HydrophobicContact CD2-CE2 3.93Å |
| 202 | L | 98.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 176.3 | -171.8 | 69.3 | 0 | 0 | 0 | 111.7 | D136 I139 F140 I198 T199 R205 N206 | D136-L202 HydrophobicContact CB-CD1 3.9Å; D136-L202 VanDerWaalsContact OD1-CD1 3.26Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.42Å; I139-L202 HydrophobicContact CD1-CB 4.3Å; I139-L202 HydrophobicContact CD1-CD1 4.27Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.34Å; I139-L202 HydrophobicContact CG2-CD2 4.41Å; F140-L202 HydrophobicContact CE1-CD2 3.85Å; F140-L202 HydrophobicContact CZ-CD1 4.47Å; F140-L202 HydrophobicContact CZ-CD2 3.82Å; I198-L202 WeakPolarHBondContact O-CB 3.26Å; I198-L202 PolarHBondContact O-N 3.32Å; T199-L202 WeakPolarHBondContact O-CB 3.4Å; T199-L202 PolarHBondContact O-N 2.94Å; T199-L202 VanDerWaalsContact O-N 3.08Å; L202-R205 PolarHBondContact O-N 2.96Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.36Å; L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 PolarHBondContact O-N 3.31Å; L202-N206 PolarHBondContact O-ND2 3.49Å |
| 203 | T | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73 | -36 | 176.6 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | T199 M200 L201 R205 N206 L207 N208 T209 | T199-T203 WeakPolarHBondContact O-CG2 3.22Å; T199-T203 PolarHBondContact O-N 3.12Å; M200-T203 PolarHBondContact O-N 3.37Å; M200-T203 PolarHBondContact O-OG1 3.03Å; L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 2.97Å; T203-R205 PolarHBondContact O-N 2.78Å; T203-N206 PolarHBondContact O-N 2.91Å; T203-L207 HydrophobicContact CG2-CD1 3.86Å; T203-L207 CarbonylContact O-C 3.58Å; T203-L207 WeakPolarHBondContact O-CA 3.35Å; T203-L207 WeakPolarHBondContact O-CB 3.22Å; T203-L207 PolarHBondContact O-N 3.37Å; T203-N208 PolarHBondContact O-N 2.92Å; T203-T209 WeakPolarHBondContact CB-OG1 3.39Å; T203-T209 PolarHBondContact O-OG1 3.01Å; T203-T209 PolarHBondContact OG1-OG1 3.39Å |
| 204 | D | 98.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 173.4 | -82.6 | 11 | 0 | 0 | 0 | 110.7 | M200 L201 T209 S210 F211 F212 | M200-D204 PolarHBondContact O-N 3.08Å; L201-D204 PolarHBondContact O-N 3.27Å; D204-T209 WeakPolarHBondContact CA-OG1 3.32Å; D204-T209 PolarHBondContact N-OG1 3.19Å; D204-T209 WeakPolarHBondContact OD1-CB 3.48Å; D204-T209 PolarHBondContact OD1-OG1 2.89Å; D204-S210 PolarHBondContact OD1-N 3.48Å; D204-S210 VanDerWaalsContact OD1-N 3.13Å; D204-F211 VanDerWaalsContact CG-N 3.33Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.44Å; D204-F211 PolarHBondContact OD1-N 3.07Å; D204-F211 PolarHBondContact OD2-N 3.48Å; D204-F212 PolarHBondContact OD2-N 3.4Å |
| 205 | R | 97.8 | Very high | 98 | Very high | 29 Ų | 29 | 51 Ų | 51 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.3 | -38.8 | 177.4 | -70.9 | 171.7 | 58.1 | 66 | 15.4 | 113.7 | S125 H130 G132 D136 L201 L202 T203 | S125-R205 WeakPolarHBondContact O-CD 3.5Å; S125-R205 PolarHBondContact O-NH1 3.08Å; H130-R205 PolarHBondContact O-NH1 3.12Å; H130-R205 PolarHBondContact O-NH2 2.92Å; G132-R205 PolarHBondContact O-NH2 3.45Å; D136-R205 IonicContact OD1-CZ 3.51Å; D136-R205 IonicContact OD1-NE 2.75Å; D136-R205 PolarHBondContact OD1-NE 2.75Å; D136-R205 IonicContact OD1-NH2 3.39Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.84Å; D136-R205 IonicContact OD2-NH2 3Å; D136-R205 PolarHBondContact OD2-NH2 3.19Å; L201-R205 HydrophobicContact CD1-CG 4.4Å; L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.22Å; L201-R205 WeakPolarHBondContact O-CG 3.42Å; L201-R205 PolarHBondContact O-N 3.4Å; L202-R205 PolarHBondContact O-N 2.96Å; T203-R205 PolarHBondContact O-N 2.78Å |
| 206 | N | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -120.5 | -20.5 | -163.8 | -64.4 | -79.7 | 0 | 0 | 0 | 115.2 | D136 L202 T203 | D136-N206 PolarHBondContact OD1-ND2 3.1Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.36Å; L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 PolarHBondContact O-N 3.31Å; L202-N206 PolarHBondContact O-ND2 3.49Å; T203-N206 PolarHBondContact O-N 2.91Å |
| 207 | L | 97.8 | Very high | 97.8 | Very high | 120 Ų | 120 | 53.6 Ų | 53.6 | 63% | 0.628 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -121.2 | 14.7 | -171.6 | -58.1 | -176.9 | 0 | 0 | 0 | 113.2 | T203 T209 | T203-L207 HydrophobicContact CG2-CD1 3.86Å; T203-L207 CarbonylContact O-C 3.58Å; T203-L207 WeakPolarHBondContact O-CA 3.35Å; T203-L207 WeakPolarHBondContact O-CB 3.22Å; T203-L207 PolarHBondContact O-N 3.37Å; L207-T209 PolarHBondContact O-N 3.33Å |
| 208 | N | 96.2 | Very high | 97.7 | Very high | 159 Ų | 159 | 54.3 Ų | 54.3 | 85% | 0.85 | 34% | 0.34 | S | S | * | . | trans | 55 | 32.8 | 179.5 | -55.5 | -56.2 | 0 | 0 | 0 | 113.7 | T203 | T203-N208 PolarHBondContact O-N 2.92Š| ||
| 209 | T | 98.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | trans | -79.6 | 168.7 | 165.4 | 63 | 0 | 0 | 0 | 0 | 110.2 | T203 D204 L207 F211 | T203-T209 WeakPolarHBondContact CB-OG1 3.39Å; T203-T209 PolarHBondContact O-OG1 3.01Å; T203-T209 PolarHBondContact OG1-OG1 3.39Å; D204-T209 WeakPolarHBondContact CA-OG1 3.32Å; D204-T209 PolarHBondContact N-OG1 3.19Å; D204-T209 WeakPolarHBondContact OD1-CB 3.48Å; D204-T209 PolarHBondContact OD1-OG1 2.89Å; L207-T209 PolarHBondContact O-N 3.33Å; T209-F211 HydrophobicContact CG2-CE2 4.22Å | ||
| 210 | S | 97.7 | Very high | 97.7 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | trans | -138.7 | 48.4 | -177.5 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | D204 F212 G216 G218 | D204-S210 PolarHBondContact OD1-N 3.48Å; D204-S210 VanDerWaalsContact OD1-N 3.13Å; S210-F212 VanDerWaalsContact C-N 3.34Å; S210-G216 PolarHBondContact OG-O 3.13Å; S210-G216 VanDerWaalsContact OG-O 3.07Å; S210-G218 WeakPolarHBondContact O-CA 3.48Å; S210-G218 PolarHBondContact O-N 3.39Å | ||
| 211 | F | 98.5 | Very high | 97.7 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 40% | 0.395 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -63.8 | -40.6 | 176.9 | -71.5 | -76.8 | 0 | 0 | 0 | 112.1 | M200 D204 T209 G218 D219 | M200-F211 HydrophobicContact CB-CB 4.18Å; M200-F211 HydrophobicContact CB-CD2 3.76Å; M200-F211 HydrophobicContact CB-CE2 4.28Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.07Å; M200-F211 HydrophobicContact CG-CD2 3.83Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.92Å; M200-F211 HydrophobicContact CG-CG 3.91Å; M200-F211 HydrophobicContact CG-CZ 4.09Å; M200-F211 HydrophobicContact SD-CB 4.47Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.44Å; M200-F211 HydrophobicContact SD-CE1 3.85Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.38Å; D204-F211 VanDerWaalsContact CG-N 3.33Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.44Å; D204-F211 PolarHBondContact OD1-N 3.07Å; D204-F211 PolarHBondContact OD2-N 3.48Å; T209-F211 HydrophobicContact CG2-CE2 4.22Å; F211-G218 WeakPolarHBondContact O-CA 3.48Å; F211-D219 PolarHBondContact O-N 3.07Å; F211-D219 VanDerWaalsContact O-N 3.12Å |
| 212 | F | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 1% | 0.013 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -117.8 | -2.6 | -173.9 | -50.1 | -56.4 | 0 | 0 | 0 | 113.6 | P122 M200 L201 D204 S210 P214 P220 L222 Y223 L226 | P122-F212 HydrophobicContact CB-CB 3.93Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.85Å; M200-F212 HydrophobicContact CB-CE2 3.61Å; M200-F212 HydrophobicContact CB-CZ 3.73Å; M200-F212 HydrophobicContact CE-CZ 4.31Å; M200-F212 HydrophobicContact SD-CZ 4.47Å; L201-F212 HydrophobicContact CB-CD2 4.31Å; L201-F212 HydrophobicContact CB-CE2 4.02Å; L201-F212 HydrophobicContact CD1-CD2 4.38Å; D204-F212 PolarHBondContact OD2-N 3.4Å; S210-F212 VanDerWaalsContact C-N 3.34Å; F212-P214 WeakPolarHBondContact O-CD 3.35Å; F212-P220 VanDerWaalsContact O-CD 3.23Å; F212-P220 WeakPolarHBondContact O-CD 3.41Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.08Å; F212-L222 HydrophobicContact CD1-CB 4.38Å; F212-L222 HydrophobicContact CE1-CB 4.28Å; F212-L222 HydrophobicContact CE1-CD2 4.15Å; F212-L222 HydrophobicContact CE1-CG 4.07Å; F212-Y223 HydrophobicContact CD2-CD2 4.08Å; F212-Y223 HydrophobicContact CE1-CD2 4.19Å; F212-Y223 HydrophobicContact CE1-CG 4.44Å; F212-Y223 AromaticContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CE2 4.45Å; F212-Y223 AromaticContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; F212-L226 HydrophobicContact CE1-CD1 4.29Å; F212-L226 HydrophobicContact CZ-CD1 4.31Å |
| 213 | D | 97.3 | Very high | 97.7 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 33% | 0.326 | 37% | 0.37 | S | S | . | . | trans | -89.1 | 112.7 | 178 | -178.7 | 5.2 | 0 | 0 | 0 | 111.6 | A215 G216 G217 G218 | D213-A215 PolarHBondContact O-N 3.19Å; D213-A215 WeakPolarHBondContact OD1-CB 3.3Å; D213-A215 PolarHBondContact OD1-N 3.36Å; D213-G216 CarbonylContact O-C 3.52Å; D213-G216 PolarHBondContact O-N 3.04Å; D213-G217 PolarHBondContact O-N 2.84Å; D213-G218 WeakPolarHBondContact O-CA 3.29Å; D213-G218 PolarHBondContact O-N 3.29Å | ||
| 214 | P | 96.8 | Very high | 97.7 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -57.8 | -29 | 176.8 | -24.5 | 35.3 | 0 | 0 | 0 | 114.5 | F212 G216 G217 G218 P220 | F212-P214 WeakPolarHBondContact O-CD 3.35Å; P214-G216 PolarHBondContact O-N 2.95Å; P214-G217 PolarHBondContact O-N 2.93Å; P214-G217 VanDerWaalsContact O-N 3.13Å; P214-G218 WeakPolarHBondContact CA-O 3.41Å; P214-P220 HydrophobicContact CG-CG 4Å |
| 215 | A | 95.6 | Very high | 97.7 | Very high | 95 Ų | 95 | 67.5 Ų | 67.5 | 79% | 0.785 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -66.7 | -27.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D213 | D213-A215 PolarHBondContact O-N 3.19Å; D213-A215 WeakPolarHBondContact OD1-CB 3.3Å; D213-A215 PolarHBondContact OD1-N 3.36Å |
| 216 | G | 95.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 44% | 0.443 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -99.4 | 11.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S210 D213 P214 | S210-G216 PolarHBondContact OG-O 3.13Å; S210-G216 VanDerWaalsContact OG-O 3.07Å; D213-G216 CarbonylContact O-C 3.52Å; D213-G216 PolarHBondContact O-N 3.04Å; P214-G216 PolarHBondContact O-N 2.95Å |
| 217 | G | 97.1 | Very high | 97.7 | Very high | 73 Ų | 73 | 64 Ų | 64 | 75% | 0.753 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 8.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | D213 P214 | D213-G217 PolarHBondContact O-N 2.84Å; P214-G217 PolarHBondContact O-N 2.93Å; P214-G217 VanDerWaalsContact O-N 3.13Å |
| 218 | G | 97.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | trans | -78 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S210 F211 D213 P214 | S210-G218 WeakPolarHBondContact O-CA 3.48Å; S210-G218 PolarHBondContact O-N 3.39Å; F211-G218 WeakPolarHBondContact O-CA 3.48Å; D213-G218 WeakPolarHBondContact O-CA 3.29Å; D213-G218 PolarHBondContact O-N 3.29Å; P214-G218 WeakPolarHBondContact CA-O 3.41Å | ||
| 219 | D | 98.3 | Very high | 97.8 | Very high | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | trans | -135.2 | 113.5 | -179.6 | -174.9 | 0.9 | 0 | 0 | 0 | 111.7 | F211 I221 L222 | F211-D219 PolarHBondContact O-N 3.07Å; F211-D219 VanDerWaalsContact O-N 3.12Å; D219-I221 PolarHBondContact O-N 3.04Å; D219-I221 VanDerWaalsContact O-N 3.15Å; D219-I221 VanDerWaalsContact OD1-CB 3.27Å; D219-I221 WeakPolarHBondContact OD1-CB 3.48Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.26Å; D219-I221 PolarHBondContact OD1-N 2.87Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.45Å; D219-L222 PolarHBondContact O-N 3.23Å | ||
| 220 | P | 97.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.1 | -24.7 | 172.7 | -24.3 | 32.4 | 0 | 0 | 0 | 114.2 | F212 P214 L222 Y223 Q224 | F212-P220 VanDerWaalsContact O-CD 3.23Å; F212-P220 WeakPolarHBondContact O-CD 3.41Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.08Å; P214-P220 HydrophobicContact CG-CG 4Å; P220-L222 VanDerWaalsContact C-N 3.32Å; P220-Y223 WeakPolarHBondContact O-CB 3.33Å; P220-Y223 PolarHBondContact O-N 3.05Å; P220-Q224 PolarHBondContact O-N 2.86Å |
| 221 | I | 98.5 | Very high | 97.6 | Very high | 86 Ų | 86 | 57.4 Ų | 57.4 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.6 | -30.7 | 176.9 | -56.9 | 175.4 | 0 | 0 | 0 | 110.6 | D219 Y223 Q224 H225 | D219-I221 PolarHBondContact O-N 3.04Å; D219-I221 VanDerWaalsContact O-N 3.15Å; D219-I221 VanDerWaalsContact OD1-CB 3.27Å; D219-I221 WeakPolarHBondContact OD1-CB 3.48Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.26Å; D219-I221 PolarHBondContact OD1-N 2.87Å; I221-Y223 PolarHBondContact O-N 3.13Å; I221-Q224 WeakPolarHBondContact O-CB 3.29Å; I221-Q224 PolarHBondContact O-N 2.58Å; I221-H225 PolarHBondContact O-CD2 2.79Å; I221-H225 VanDerWaalsContact O-CD2 3.28Å; I221-H225 PolarHBondContact O-N 2.96Å |
| 222 | L | 98.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 59.8 Ų | 59.8 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.6 | -42.6 | 171.4 | 177.1 | 62.3 | 0 | 0 | 0 | 110.8 | F212 D219 P220 Q224 H225 L226 | F212-L222 HydrophobicContact CD1-CB 4.38Å; F212-L222 HydrophobicContact CE1-CB 4.28Å; F212-L222 HydrophobicContact CE1-CD2 4.15Å; F212-L222 HydrophobicContact CE1-CG 4.07Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.45Å; D219-L222 PolarHBondContact O-N 3.23Å; P220-L222 VanDerWaalsContact C-N 3.32Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.4Å; L222-H225 PolarHBondContact O-N 3.45Å; L222-L226 HydrophobicContact CD1-CD1 4.27Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.06Å; L222-L226 HydrophobicContact CG-CG 4.48Å; L222-L226 WeakPolarHBondContact O-CG 3.32Å; L222-L226 PolarHBondContact O-N 3.37Å |
| 223 | Y | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 175.3 | -174 | -77.6 | 0 | 0 | 0 | 110.9 | T119 Y121 P122 A197 L201 F212 P220 I221 H225 L226 F227 | T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.42Å; Y121-Y223 AromaticContact CD1-CD1 3.5Å; Y121-Y223 HydrophobicContact CD1-CD1 3.5Å; Y121-Y223 VanDerWaalsContact CD1-CD1 3.5Å; Y121-Y223 AromaticContact CD1-CE1 3.64Å; Y121-Y223 HydrophobicContact CD1-CE1 3.64Å; Y121-Y223 AromaticContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CE1 4.06Å; P122-Y223 VanDerWaalsContact CD-CG 3.43Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.89Å; A197-Y223 HydrophobicContact CB-CE2 4.35Å; L201-Y223 HydrophobicContact CB-CE2 4.16Å; L201-Y223 HydrophobicContact CD2-CE2 3.93Å; F212-Y223 HydrophobicContact CD2-CD2 4.08Å; F212-Y223 HydrophobicContact CE1-CD2 4.19Å; F212-Y223 HydrophobicContact CE1-CG 4.44Å; F212-Y223 AromaticContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CE2 4.45Å; F212-Y223 AromaticContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; P220-Y223 WeakPolarHBondContact O-CB 3.33Å; P220-Y223 PolarHBondContact O-N 3.05Å; I221-Y223 PolarHBondContact O-N 3.13Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.45Å; Y223-L226 PolarHBondContact O-N 2.89Å; Y223-F227 HydrophobicContact CD1-CB 4.13Å; Y223-F227 HydrophobicContact CE1-CB 3.82Å; Y223-F227 HydrophobicContact CE1-CD2 4.01Å; Y223-F227 HydrophobicContact CE1-CG 4.17Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.34Å; Y223-F227 PolarHBondContact O-N 3.48Å |
| 224 | Q | 98.4 | Very high | 96.9 | Very high | 77 Ų | 77 | 60.3 Ų | 60.3 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 179 | -58.4 | -174.1 | 29.7 | 0 | 0 | 111.8 | Y121 P220 I221 L222 F227 W228 | Y121-Q224 HydrophobicContact CD1-CG 4.19Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.76Å; Y121-Q224 HydrophobicContact CE2-CG 4.36Å; P220-Q224 PolarHBondContact O-N 2.86Å; I221-Q224 WeakPolarHBondContact O-CB 3.29Å; I221-Q224 PolarHBondContact O-N 2.58Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.4Å; Q224-F227 PolarHBondContact O-N 3.14Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å |
| 225 | H | 98.5 | Very high | 96.2 | Very high | 129 Ų | 129 | 63.4 Ų | 63.4 | 60% | 0.597 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | 176.1 | -76.6 | -60.4 | 0 | 0 | 0 | 112.2 | I221 L222 Y223 F229 | I221-H225 PolarHBondContact O-CD2 2.79Å; I221-H225 VanDerWaalsContact O-CD2 3.28Å; I221-H225 PolarHBondContact O-N 2.96Å; L222-H225 PolarHBondContact O-N 3.45Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.45Å; H225-F229 VanDerWaalsContact O-CB 3.26Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.39Å |
| 226 | L | 98.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 61.8 Ų | 61.8 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 179.5 | -63 | 168.9 | 0 | 0 | 0 | 111.5 | V193 A197 M200 F212 L222 Y223 F230 | V193-L226 HydrophobicContact CG1-CB 4.22Å; V193-L226 HydrophobicContact CG1-CD2 3.89Å; A197-L226 HydrophobicContact CB-CB 3.71Å; A197-L226 HydrophobicContact CB-CD1 4.08Å; M200-L226 HydrophobicContact CE-CD1 3.34Å; F212-L226 HydrophobicContact CE1-CD1 4.29Å; F212-L226 HydrophobicContact CZ-CD1 4.31Å; L222-L226 HydrophobicContact CD1-CD1 4.27Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.06Å; L222-L226 HydrophobicContact CG-CG 4.48Å; L222-L226 WeakPolarHBondContact O-CG 3.32Å; L222-L226 PolarHBondContact O-N 3.37Å; Y223-L226 PolarHBondContact O-N 2.89Å; L226-F230 PolarHBondContact O-N 2.74Å |
| 227 | F | 98.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -48.9 | 178 | -176.5 | -88.1 | 0 | 0 | 0 | 111.1 | W118 T119 L194 Y223 Q224 F230 G231 | W118-F227 HydrophobicContact CD2-CZ 4.24Å; W118-F227 AromaticContact CE3-CZ 3.77Å; W118-F227 HydrophobicContact CE3-CZ 3.77Å; W118-F227 AromaticContact CH2-CE1 3.82Å; W118-F227 HydrophobicContact CH2-CE1 3.82Å; W118-F227 AromaticContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CZ2-CE1 4.09Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.09Å; W118-F227 AromaticContact CZ3-CZ 3.53Å; W118-F227 HydrophobicContact CZ3-CZ 3.53Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.7Å; T119-F227 HydrophobicContact CG2-CZ 3.94Å; L194-F227 HydrophobicContact CD1-CD2 3.96Å; L194-F227 HydrophobicContact CD1-CE2 4.19Å; Y223-F227 HydrophobicContact CD1-CB 4.13Å; Y223-F227 HydrophobicContact CE1-CB 3.82Å; Y223-F227 HydrophobicContact CE1-CD2 4.01Å; Y223-F227 HydrophobicContact CE1-CG 4.17Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.34Å; Y223-F227 PolarHBondContact O-N 3.48Å; Q224-F227 PolarHBondContact O-N 3.14Å; F227-F230 CarbonylContact O-C 3.56Å; F227-F230 WeakPolarHBondContact O-CB 3.34Å; F227-F230 PolarHBondContact O-N 3.35Å; F227-F230 VanDerWaalsContact O-N 3.17Å; F227-G231 PolarHBondContact O-N 2.92Å |
| 228 | W | 98.3 | Very high | 96.3 | Very high | 111 Ų | 111 | 62.2 Ų | 62.2 | 42% | 0.42 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.2 | -21.8 | -177.3 | -73.6 | 120.5 | 0 | 0 | 0 | 114.3 | W118 T119 Y121 Q224 F230 G231 H232 | W118-W228 HydrophobicContact CH2-CH2 4.43Å; W118-W228 HydrophobicContact CH2-CZ3 4.34Å; W118-W228 AromaticContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CZ3 4.17Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å; Y121-W228 PolarHBondContact OH-NE1 3Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å; W228-F230 PolarHBondContact O-N 3.29Å; W228-G231 PolarHBondContact O-N 3.23Å; W228-H232 PolarHBondContact O-N 2.84Å |
| 229 | F | 97.9 | Very high | 96.2 | Very high | 126 Ų | 126 | 65 Ų | 65 | 55% | 0.553 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.1 | -36.6 | 165.5 | -175.2 | -84 | 0 | 0 | 0 | 110.9 | V193 H225 P233 | V193-F229 HydrophobicContact CB-CD1 3.83Å; V193-F229 HydrophobicContact CB-CE1 4.35Å; V193-F229 HydrophobicContact CG1-CB 4.22Å; V193-F229 HydrophobicContact CG1-CD1 3.81Å; V193-F229 HydrophobicContact CG1-CG 4.26Å; V193-F229 HydrophobicContact CG2-CD1 3.6Å; V193-F229 HydrophobicContact CG2-CE1 3.62Å; H225-F229 VanDerWaalsContact O-CB 3.26Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.39Å; F229-P233 WeakPolarHBondContact O-CD 3.4Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.48Å |
| 230 | F | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -80.7 | -46.7 | 170 | 154.5 | -99.4 | 0 | 0 | 0 | 113 | F59 L191 L194 L226 F227 W228 H232 P233 E234 | F59-F230 AromaticContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CE1 4.1Å; F59-F230 AromaticContact CZ-CZ 3.8Å; F59-F230 HydrophobicContact CZ-CZ 3.8Å; L191-F230 HydrophobicContact CD2-CD2 4.03Å; L191-F230 HydrophobicContact CD2-CE2 3.45Å; L191-F230 VanDerWaalsContact CD2-CE2 3.45Å; L191-F230 HydrophobicContact CD2-CZ 4.23Å; L191-F230 HydrophobicContact CG-CE2 4.23Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.86Å; L194-F230 HydrophobicContact CB-CD2 4.04Å; L194-F230 HydrophobicContact CB-CE1 4.48Å; L194-F230 HydrophobicContact CB-CG 3.61Å; L194-F230 HydrophobicContact CD1-CD1 3.82Å; L194-F230 HydrophobicContact CD1-CE1 4.21Å; L194-F230 HydrophobicContact CD1-CG 4.44Å; L194-F230 HydrophobicContact CD2-CD1 3.83Å; L194-F230 HydrophobicContact CD2-CD2 4.37Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.21Å; L194-F230 HydrophobicContact CD2-CZ 3.79Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.3Å; L194-F230 HydrophobicContact CG-CG 4.29Å; L226-F230 PolarHBondContact O-N 2.74Å; F227-F230 CarbonylContact O-C 3.56Å; F227-F230 WeakPolarHBondContact O-CB 3.34Å; F227-F230 PolarHBondContact O-N 3.35Å; F227-F230 VanDerWaalsContact O-N 3.17Å; W228-F230 PolarHBondContact O-N 3.29Å; F230-H232 VanDerWaalsContact C-N 3.31Å; F230-H232 PolarHBondContact O-N 2.94Å; F230-P233 WeakPolarHBondContact O-CD 3.26Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.33Å; F230-E234 HydrophobicContact CE2-CB 3.8Å; F230-E234 HydrophobicContact CE2-CG 3.98Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.24Å; F230-E234 HydrophobicContact CZ-CB 3.7Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.23Å; F230-E234 VanDerWaalsContact O-N 3.16Å |
| 231 | G | 93 | Very high | 95.9 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.4 | -25.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F227 W228 | F227-G231 PolarHBondContact O-N 2.92Å; W228-G231 PolarHBondContact O-N 3.23Å |
| 232 | H | 95.1 | Very high | 95.7 | Very high | 141 Ų | 141 | 65.6 Ų | 65.6 | 65% | 0.653 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -79.9 | -42.8 | 174.5 | -166.6 | 63.1 | 0 | 0 | 0 | 113.2 | W228 F230 E234 V235 | W228-H232 PolarHBondContact O-N 2.84Å; F230-H232 VanDerWaalsContact C-N 3.31Å; F230-H232 PolarHBondContact O-N 2.94Å; H232-E234 PolarHBondContact O-N 3.05Å; H232-V235 WeakPolarHBondContact O-CG2 3.41Å; H232-V235 PolarHBondContact O-N 2.75Å |
| 233 | P | 94.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 65.2 Ų | 65.2 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.1 | -22.8 | 168.2 | -30.2 | 36.4 | 0 | 0 | 0 | 116.1 | F229 F230 | F229-P233 WeakPolarHBondContact O-CD 3.4Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.48Å; F230-P233 WeakPolarHBondContact O-CD 3.26Å |
| 234 | E | 91.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76.3 | -26.1 | 179.1 | -178.5 | 64.7 | -170.3 | 0 | 0 | 113.6 | I58 M63 L187 F230 H232 | I58-E234 HydrophobicContact CG2-CG 4.46Å; M63-E234 WeakPolarHBondContact CG-OE1 3.45Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.32Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.33Å; F230-E234 HydrophobicContact CE2-CB 3.8Å; F230-E234 HydrophobicContact CE2-CG 3.98Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.24Å; F230-E234 HydrophobicContact CZ-CB 3.7Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.23Å; F230-E234 VanDerWaalsContact O-N 3.16Å; H232-E234 PolarHBondContact O-N 3.05Å |
| 235 | V | 82.3 | Confident | 95 | Very high | 147 Ų | 147 | 70.1 Ų | 70.1 | 89% | 0.891 | 34% | 0.342 | S | S | * | . | trans | -94.1 | 0 | -176.1 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | H232 | H232-V235 WeakPolarHBondContact O-CG2 3.41Å; H232-V235 PolarHBondContact O-N 2.75Å |
Retrieved 235 of 235 residues in 390.2 ms
(Link to these results)