| 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 | F | 91.8 | Very high | 95.4 | Very high | 187 Ų | 187 | 72.9 Ų | 72.9 | 82% | 0.82 | 35% | 0.354 | S | S | * | . | 0 | -60.4 | 0 | -179.4 | -93.3 | 0 | 0 | 0 | 110.6 | D3 R4 W5 | F1-D3 PolarHBondContact O-N 3.38Å; F1-R4 PolarHBondContact O-N 3.23Å; F1-W5 AromaticContact CD2-CD1 3.51Å; F1-W5 AromaticContact CE2-CD1 3.46Å; F1-W5 VanDerWaalsContact CE2-CD1 3.46Å; F1-W5 HydrophobicContact CE2-CG 4.31Å; F1-W5 AromaticContact CE2-NE1 3.96Å; F1-W5 PolarHBondContact O-N 2.92Å; F1-W5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | A | 93.6 | Very high | 95.7 | Very high | 39 Ų | 39 | 67.3 Ų | 67.3 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.2 | -47.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R4 W5 L6 F7 | A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 3.45Å; A2-W5 PolarHBondContact O-N 2.83Å; A2-L6 HydrophobicContact CB-CD1 4.13Å; A2-L6 WeakPolarHBondContact O-CA 3.25Å; A2-L6 WeakPolarHBondContact O-CB 3.48Å; A2-L6 PolarHBondContact O-N 3.25Å; A2-F7 PolarHBondContact O-N 2.85Å |
| 3 | D | 93.2 | Very high | 95.9 | Very high | 126 Ų | 126 | 62.8 Ų | 62.8 | 67% | 0.674 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.6 | -38.9 | -179.2 | -54.7 | -40 | 0 | 0 | 0 | 113.1 | F1 F7 S8 | F1-D3 PolarHBondContact O-N 3.38Å; D3-F7 CarbonylContact O-C 3.59Å; D3-F7 VanDerWaalsContact O-C 3.22Å; D3-S8 PolarHBondContact O-N 3.13Å |
| 4 | R | 93 | Very high | 96.1 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.4 | -41.1 | -177.4 | -177.1 | 177 | 172.3 | -169 | -2.6 | 112.8 | F1 A2 S8 D13 Y501 | F1-R4 PolarHBondContact O-N 3.23Å; A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 3.45Å; R4-S8 WeakPolarHBondContact O-CB 3.23Å; R4-S8 PolarHBondContact O-OG 3.21Å; R4-D13 VanDerWaalsContact CG-OD2 3.27Å; R4-D13 WeakPolarHBondContact CG-OD2 3.35Å; R4-D13 IonicContact CZ-OD1 2.61Å; R4-D13 IonicContact NE-OD1 3.94Å; R4-D13 PolarHBondContact NE-OD1 3.48Å; R4-D13 IonicContact NE-OD2 2.67Å; R4-D13 PolarHBondContact NE-OD2 2.87Å; R4-D13 IonicContact NH2-OD1 2.7Å; R4-D13 PolarHBondContact NH2-OD1 3.28Å; R4-Y501 PolarHBondContact NH1-OH 2.82Å; R4-Y501 PolarHBondContact NH2-OH 3.42Å |
| 5 | W | 95.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 21% | 0.212 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -107 | -37.1 | -168.8 | -62.7 | 114.1 | 0 | 0 | 0 | 113.8 | F1 A2 D13 T16 L17 | F1-W5 AromaticContact CD2-CD1 3.51Å; F1-W5 AromaticContact CE2-CD1 3.46Å; F1-W5 VanDerWaalsContact CE2-CD1 3.46Å; F1-W5 HydrophobicContact CE2-CG 4.31Å; F1-W5 AromaticContact CE2-NE1 3.96Å; F1-W5 PolarHBondContact O-N 2.92Å; F1-W5 VanDerWaalsContact O-N 3.13Å; A2-W5 PolarHBondContact O-N 2.83Å; W5-D13 HydrophobicContact CE3-CB 4.27Å; W5-D13 HydrophobicContact CZ3-CB 4.02Å; W5-T16 HydrophobicContact CH2-CG2 4.41Å; W5-T16 HydrophobicContact CZ3-CG2 4.34Å; W5-L17 HydrophobicContact CE3-CD1 4.5Å; W5-L17 HydrophobicContact CE3-CD2 3.95Å; W5-L17 HydrophobicContact CE3-CG 4.1Å; W5-L17 HydrophobicContact CZ3-CD2 4.5Å; W5-L17 HydrophobicContact CZ3-CG 4.48Å; W5-L17 WeakPolarHBondContact O-CD1 3.29Å |
| 6 | L | 95.3 | Very high | 96.4 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -44.4 | 179.4 | -56.7 | 179.5 | 0 | 0 | 0 | 111 | A2 N98 W102 | A2-L6 HydrophobicContact CB-CD1 4.13Å; A2-L6 WeakPolarHBondContact O-CA 3.25Å; A2-L6 WeakPolarHBondContact O-CB 3.48Å; A2-L6 PolarHBondContact O-N 3.25Å; L6-N98 PolarHBondContact O-ND2 3.43Å; L6-N98 VanDerWaalsContact O-ND2 3.11Å; L6-W102 HydrophobicContact CD2-CH2 3.44Å; L6-W102 VanDerWaalsContact CD2-CH2 3.44Å; L6-W102 HydrophobicContact CD2-CZ2 3.46Å; L6-W102 VanDerWaalsContact CD2-CZ2 3.46Å; L6-W102 HydrophobicContact CD2-CZ3 4.5Å; L6-W102 PolarHBondContact O-NE1 3.48Å |
| 7 | F | 97 | Very high | 96.5 | Very high | 143 Ų | 143 | 51.5 Ų | 51.5 | 63% | 0.627 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -103.3 | 26 | -179.1 | -51.2 | -40.1 | 0 | 0 | 0 | 112.7 | A2 D3 | A2-F7 PolarHBondContact O-N 2.85Å; D3-F7 CarbonylContact O-C 3.59Å; D3-F7 VanDerWaalsContact O-C 3.22Å |
| 8 | S | 96.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | trans | -59.5 | 143.8 | -178.1 | -152.4 | 0 | 0 | 0 | 0 | 111.7 | D3 R4 N10 D13 N98 | D3-S8 PolarHBondContact O-N 3.13Å; R4-S8 WeakPolarHBondContact O-CB 3.23Å; R4-S8 PolarHBondContact O-OG 3.21Å; S8-N10 PolarHBondContact OG-N 2.99Å; S8-D13 WeakPolarHBondContact OG-CB 3.3Å; S8-N98 VanDerWaalsContact O-CB 3.29Å; S8-N98 WeakPolarHBondContact O-CB 3.26Å; S8-N98 VanDerWaalsContact O-CG 3.22Å; S8-N98 PolarHBondContact O-ND2 2.9Å | ||
| 9 | T | 97.1 | Very high | 96.7 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | trans | -117.7 | -5 | 163.2 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | D90 P94 R95 | T9-D90 VanDerWaalsContact O-OD2 3.1Å; T9-P94 HydrophobicContact CG2-CB 4.23Å; T9-P94 WeakPolarHBondContact O-CB 3.41Å; T9-R95 HydrophobicContact CG2-CG 4.1Å | ||
| 10 | N | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | trans | -83.4 | 127.2 | -174.6 | -172.6 | -75.6 | 0 | 0 | 0 | 110.9 | S8 K12 D13 I14 Y501 | S8-N10 PolarHBondContact OG-N 2.99Å; N10-K12 PolarHBondContact O-N 3.37Å; N10-K12 WeakPolarHBondContact OD1-CA 3.2Å; N10-K12 WeakPolarHBondContact OD1-CB 3.25Å; N10-K12 PolarHBondContact OD1-N 2.78Å; N10-D13 HydrophobicContact CB-CB 4.4Å; N10-D13 PolarHBondContact O-N 3.41Å; N10-I14 WeakPolarHBondContact O-CG1 3.35Å; N10-I14 PolarHBondContact O-N 3.21Å; N10-Y501 PolarHBondContact ND2-O 3.35Å | ||
| 11 | H | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -29.7 | 178.8 | 70.8 | 103 | 0 | 0 | 0 | 114.9 | G15 N79 P83 D90 M91 | H11-G15 WeakPolarHBondContact O-CA 3.42Å; H11-G15 PolarHBondContact O-N 2.87Å; H11-N79 PolarHBondContact ND1-O 3.22Å; H11-P83 HydrophobicContact CB-CG 4.24Å; H11-D90 VanDerWaalsContact CB-OD1 3.26Å; H11-D90 WeakPolarHBondContact CB-OD1 3.23Å; H11-D90 IonicContact CD2-OD1 3.44Å; H11-D90 PolarHBondContact CD2-OD1 2.67Å; H11-D90 VanDerWaalsContact CD2-OD1 3.31Å; H11-D90 IonicContact CG-OD1 3.36Å; H11-D90 PolarHBondContact N-OD1 3.31Å; H11-M91 HydrophobicContact CB-CG 3.8Å |
| 12 | K | 98.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.9 | -41.9 | 179.9 | -56.3 | 166 | -177.6 | 145.9 | 0 | 111.5 | N10 T16 W80 P499 P500 Y501 T503 | N10-K12 PolarHBondContact O-N 3.37Å; N10-K12 WeakPolarHBondContact OD1-CA 3.2Å; N10-K12 WeakPolarHBondContact OD1-CB 3.25Å; N10-K12 PolarHBondContact OD1-N 2.78Å; K12-T16 WeakPolarHBondContact O-CB 3.35Å; K12-T16 PolarHBondContact O-N 3.47Å; K12-T16 PolarHBondContact O-OG1 3.29Å; K12-W80 HydrophobicContact CB-CD2 4.21Å; K12-W80 HydrophobicContact CB-CE3 4.06Å; K12-W80 HydrophobicContact CB-CH2 3.73Å; K12-W80 HydrophobicContact CB-CZ2 3.86Å; K12-W80 HydrophobicContact CB-CZ3 3.83Å; K12-W80 HydrophobicContact CD-CH2 4.48Å; K12-W80 HydrophobicContact CD-CZ3 4.07Å; K12-W80 HydrophobicContact CG-CD2 4.41Å; K12-W80 HydrophobicContact CG-CE3 3.88Å; K12-W80 HydrophobicContact CG-CH2 4.16Å; K12-W80 HydrophobicContact CG-CZ3 3.74Å; K12-W80 PolarHBondContact O-NE1 3.41Å; K12-W80 VanDerWaalsContact O-NE1 3.17Å; K12-P499 HydrophobicContact CD-CG 4.32Å; K12-P500 PolarHBondContact NZ-O 3.39Å; K12-Y501 PolarHBondContact NZ-O 3.47Å; K12-T503 PolarHBondContact NZ-OG1 2.79Å |
| 13 | D | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.1 | -46.6 | 175.6 | -73.6 | -30.6 | 0 | 0 | 0 | 110 | R4 W5 S8 N10 T16 L17 | R4-D13 VanDerWaalsContact CG-OD2 3.27Å; R4-D13 WeakPolarHBondContact CG-OD2 3.35Å; R4-D13 IonicContact CZ-OD1 2.61Å; R4-D13 IonicContact NE-OD1 3.94Å; R4-D13 PolarHBondContact NE-OD1 3.48Å; R4-D13 IonicContact NE-OD2 2.67Å; R4-D13 PolarHBondContact NE-OD2 2.87Å; R4-D13 IonicContact NH2-OD1 2.7Å; R4-D13 PolarHBondContact NH2-OD1 3.28Å; W5-D13 HydrophobicContact CE3-CB 4.27Å; W5-D13 HydrophobicContact CZ3-CB 4.02Å; S8-D13 WeakPolarHBondContact OG-CB 3.3Å; N10-D13 HydrophobicContact CB-CB 4.4Å; N10-D13 PolarHBondContact O-N 3.41Å; D13-T16 WeakPolarHBondContact O-CB 3.43Å; D13-T16 PolarHBondContact O-N 3.36Å; D13-T16 VanDerWaalsContact O-N 3.17Å; D13-L17 WeakPolarHBondContact O-CG 3.13Å; D13-L17 PolarHBondContact O-N 3.47Å |
| 14 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.5 | -64.4 | 165.8 | 0 | 0 | 0 | 111 | N10 T16 L17 Y18 N97 N98 F101 | N10-I14 WeakPolarHBondContact O-CG1 3.35Å; N10-I14 PolarHBondContact O-N 3.21Å; I14-T16 VanDerWaalsContact C-N 3.26Å; I14-T16 PolarHBondContact O-N 2.98Å; I14-L17 WeakPolarHBondContact O-CB 3.27Å; I14-L17 PolarHBondContact O-N 3.07Å; I14-L17 VanDerWaalsContact O-N 3.1Å; I14-Y18 HydrophobicContact CG2-CD2 3.84Å; I14-Y18 HydrophobicContact CG2-CE2 3.59Å; I14-Y18 VanDerWaalsContact O-CD2 3.26Å; I14-Y18 WeakPolarHBondContact O-CD2 3.22Å; I14-Y18 PolarHBondContact O-N 2.82Å; I14-N97 HydrophobicContact CD1-CB 4.05Å; I14-N98 HydrophobicContact CD1-CB 3.91Å; I14-F101 HydrophobicContact CG2-CB 4.18Å |
| 15 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -37.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H11 Y18 L19 G76 | H11-G15 WeakPolarHBondContact O-CA 3.42Å; H11-G15 PolarHBondContact O-N 2.87Å; G15-Y18 PolarHBondContact O-N 2.98Å; G15-L19 WeakPolarHBondContact O-CG 3.44Å; G15-L19 PolarHBondContact O-N 3.34Å; G15-G76 WeakPolarHBondContact O-CA 3.49Å |
| 16 | T | 98.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 174 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | W5 K12 D13 I14 Y18 L19 L20 W80 | W5-T16 HydrophobicContact CH2-CG2 4.41Å; W5-T16 HydrophobicContact CZ3-CG2 4.34Å; K12-T16 WeakPolarHBondContact O-CB 3.35Å; K12-T16 PolarHBondContact O-N 3.47Å; K12-T16 PolarHBondContact O-OG1 3.29Å; D13-T16 WeakPolarHBondContact O-CB 3.43Å; D13-T16 PolarHBondContact O-N 3.36Å; D13-T16 VanDerWaalsContact O-N 3.17Å; I14-T16 VanDerWaalsContact C-N 3.26Å; I14-T16 PolarHBondContact O-N 2.98Å; T16-Y18 VanDerWaalsContact C-N 3.34Å; T16-Y18 PolarHBondContact O-N 3.41Å; T16-L19 PolarHBondContact O-N 2.71Å; T16-L20 HydrophobicContact CG2-CD1 4.16Å; T16-L20 HydrophobicContact CG2-CG 4.41Å; T16-L20 WeakPolarHBondContact O-CG 3.3Å; T16-L20 PolarHBondContact O-N 3.43Å; T16-W80 VanDerWaalsContact OG1-CZ2 3.3Å; T16-W80 WeakPolarHBondContact OG1-CZ2 3.4Å; T16-W80 PolarHBondContact OG1-NE1 3.35Å; T16-W80 VanDerWaalsContact OG1-NE1 3.1Å |
| 17 | L | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 12% | 0.12 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 176 | -68.9 | 173.4 | 0 | 0 | 0 | 111.7 | W5 D13 I14 L20 F21 F101 | W5-L17 HydrophobicContact CE3-CD1 4.5Å; W5-L17 HydrophobicContact CE3-CD2 3.95Å; W5-L17 HydrophobicContact CE3-CG 4.1Å; W5-L17 HydrophobicContact CZ3-CD2 4.5Å; W5-L17 HydrophobicContact CZ3-CG 4.48Å; W5-L17 WeakPolarHBondContact O-CD1 3.29Å; D13-L17 WeakPolarHBondContact O-CG 3.13Å; D13-L17 PolarHBondContact O-N 3.47Å; I14-L17 WeakPolarHBondContact O-CB 3.27Å; I14-L17 PolarHBondContact O-N 3.07Å; I14-L17 VanDerWaalsContact O-N 3.1Å; L17-L20 PolarHBondContact O-N 2.85Å; L17-F21 VanDerWaalsContact O-CB 3.27Å; L17-F21 WeakPolarHBondContact O-CB 3.27Å; L17-F21 PolarHBondContact O-N 3.06Å; L17-F101 VanDerWaalsContact C-CE2 3.48Å; L17-F101 HydrophobicContact CB-CD1 4.1Å; L17-F101 HydrophobicContact CB-CD2 4Å; L17-F101 HydrophobicContact CB-CE1 3.77Å; L17-F101 HydrophobicContact CB-CE2 3.66Å; L17-F101 HydrophobicContact CB-CG 4.22Å; L17-F101 HydrophobicContact CB-CZ 3.55Å; L17-F101 HydrophobicContact CD1-CD1 3.93Å; L17-F101 HydrophobicContact CD1-CE1 3.81Å; L17-F101 HydrophobicContact CD1-CZ 4.44Å; L17-F101 HydrophobicContact CD2-CE1 4.47Å; L17-F101 HydrophobicContact CD2-CZ 4.5Å; L17-F101 HydrophobicContact CG-CE1 4.23Å; L17-F101 HydrophobicContact CG-CZ 4.38Å; L17-F101 WeakPolarHBondContact O-CE2 2.96Å |
| 18 | Y | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 173.6 | -82.9 | -73 | 0 | 0 | 0 | 112.9 | I14 G15 T16 G22 P71 G75 S100 F101 L104 | I14-Y18 HydrophobicContact CG2-CD2 3.84Å; I14-Y18 HydrophobicContact CG2-CE2 3.59Å; I14-Y18 VanDerWaalsContact O-CD2 3.26Å; I14-Y18 WeakPolarHBondContact O-CD2 3.22Å; I14-Y18 PolarHBondContact O-N 2.82Å; G15-Y18 PolarHBondContact O-N 2.98Å; T16-Y18 VanDerWaalsContact C-N 3.34Å; T16-Y18 PolarHBondContact O-N 3.41Å; Y18-G22 PolarHBondContact O-N 2.83Å; Y18-P71 HydrophobicContact CD1-CB 4.07Å; Y18-G75 VanDerWaalsContact CB-C 3.41Å; Y18-G75 VanDerWaalsContact CD2-C 3.49Å; Y18-G75 VanDerWaalsContact CD2-O 3.23Å; Y18-G75 WeakPolarHBondContact CD2-O 3.48Å; Y18-G75 VanDerWaalsContact CG-C 3.43Å; Y18-G75 VanDerWaalsContact CG-CA 3.43Å; Y18-S100 VanDerWaalsContact OH-C 3.24Å; Y18-S100 WeakPolarHBondContact OH-CB 3.34Å; Y18-S100 PolarHBondContact OH-OG 3.02Å; Y18-F101 AromaticContact CD1-CD2 3.86Å; Y18-F101 HydrophobicContact CD1-CD2 3.86Å; Y18-F101 HydrophobicContact CD2-CB 4.33Å; Y18-F101 HydrophobicContact CD2-CD2 4.11Å; Y18-F101 HydrophobicContact CE1-CB 4.27Å; Y18-F101 HydrophobicContact CE1-CD2 4.03Å; Y18-F101 HydrophobicContact CE2-CB 3.71Å; Y18-F101 HydrophobicContact CE2-CD2 4.25Å; Y18-F101 HydrophobicContact CE2-CG 4.43Å; Y18-F101 AromaticContact CG-CD2 3.91Å; Y18-F101 HydrophobicContact CG-CD2 3.91Å; Y18-F101 WeakPolarHBondContact OH-CA 3.32Å; Y18-F101 PolarHBondContact OH-N 3.34Å; Y18-L104 HydrophobicContact CD1-CD1 3.87Å; Y18-L104 HydrophobicContact CE1-CD1 3.46Å; Y18-L104 VanDerWaalsContact CE1-CD1 3.46Å |
| 19 | L | 98.7 | Very high | 98.3 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.9 | -70.7 | 175.2 | 0 | 0 | 0 | 111.7 | G15 T16 A23 I72 F77 F399 | G15-L19 WeakPolarHBondContact O-CG 3.44Å; G15-L19 PolarHBondContact O-N 3.34Å; T16-L19 PolarHBondContact O-N 2.71Å; L19-A23 VanDerWaalsContact O-CB 3.22Å; L19-A23 WeakPolarHBondContact O-CB 3.44Å; L19-A23 PolarHBondContact O-N 3.38Å; L19-I72 HydrophobicContact CD2-CG2 3.96Å; L19-F77 HydrophobicContact CD2-CE2 4.48Å; L19-F399 HydrophobicContact CD1-CD2 4.11Å; L19-F399 HydrophobicContact CD1-CE2 4.08Å |
| 20 | L | 98.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 28.9 Ų | 28.9 | 59% | 0.592 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -67.1 | -46.2 | 178.5 | -69.1 | 175.6 | 0 | 0 | 0 | 112 | T16 L17 A23 W24 | T16-L20 HydrophobicContact CG2-CD1 4.16Å; T16-L20 HydrophobicContact CG2-CG 4.41Å; T16-L20 WeakPolarHBondContact O-CG 3.3Å; T16-L20 PolarHBondContact O-N 3.43Å; L17-L20 PolarHBondContact O-N 2.85Å; L20-A23 PolarHBondContact O-N 3.27Å; L20-W24 PolarHBondContact O-N 2.79Å |
| 21 | F | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 176.7 | 174.9 | -95.6 | 0 | 0 | 0 | 111.3 | L17 A23 W24 A25 F67 P71 F101 L104 P105 L108 | L17-F21 VanDerWaalsContact O-CB 3.27Å; L17-F21 WeakPolarHBondContact O-CB 3.27Å; L17-F21 PolarHBondContact O-N 3.06Å; F21-A23 VanDerWaalsContact C-N 3.35Å; F21-A23 PolarHBondContact O-N 2.84Å; F21-W24 PolarHBondContact O-N 3.19Å; F21-A25 WeakPolarHBondContact O-CB 3.36Å; F21-A25 PolarHBondContact O-N 3.41Å; F21-F67 HydrophobicContact CE1-CB 4.17Å; F21-F67 AromaticContact CE1-CD1 3.94Å; F21-F67 HydrophobicContact CE1-CD1 3.94Å; F21-F67 HydrophobicContact CZ-CB 4.46Å; F21-F67 AromaticContact CZ-CD1 3.77Å; F21-F67 HydrophobicContact CZ-CD1 3.77Å; F21-P71 HydrophobicContact CD1-CB 4.15Å; F21-P71 HydrophobicContact CD1-CG 4.31Å; F21-P71 HydrophobicContact CE1-CG 4.23Å; F21-F101 HydrophobicContact CB-CE2 3.9Å; F21-F101 HydrophobicContact CB-CZ 4.44Å; F21-F101 HydrophobicContact CG-CE2 4.36Å; F21-L104 HydrophobicContact CD1-CB 4.45Å; F21-L104 HydrophobicContact CD1-CD1 4.28Å; F21-L104 HydrophobicContact CE1-CB 3.84Å; F21-L104 HydrophobicContact CE1-CD1 4.08Å; F21-L104 HydrophobicContact CE2-CB 4.47Å; F21-L104 HydrophobicContact CZ-CB 3.83Å; F21-P105 HydrophobicContact CD2-CG 4.36Å; F21-P105 HydrophobicContact CE2-CB 4.47Å; F21-P105 HydrophobicContact CE2-CG 4.25Å; F21-L108 HydrophobicContact CE2-CB 4.27Å; F21-L108 HydrophobicContact CE2-CD2 3.69Å; F21-L108 HydrophobicContact CZ-CB 3.93Å; F21-L108 HydrophobicContact CZ-CD2 3.62Å; F21-L108 HydrophobicContact CZ-CG 4.43Å |
| 22 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y18 G26 F67 | Y18-G22 PolarHBondContact O-N 2.83Å; G22-G26 PolarHBondContact O-N 3.3Å; G22-F67 WeakPolarHBondContact CA-O 3.23Å |
| 23 | A | 98.1 | Very high | 98.3 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 45% | 0.446 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L19 L20 F21 G26 V27 | L19-A23 VanDerWaalsContact O-CB 3.22Å; L19-A23 WeakPolarHBondContact O-CB 3.44Å; L19-A23 PolarHBondContact O-N 3.38Å; L20-A23 PolarHBondContact O-N 3.27Å; F21-A23 VanDerWaalsContact C-N 3.35Å; F21-A23 PolarHBondContact O-N 2.84Å; A23-G26 PolarHBondContact O-N 3.34Å; A23-V27 PolarHBondContact O-N 2.99Å; A23-V27 VanDerWaalsContact O-N 3.09Å |
| 24 | W | 98.4 | Very high | 98.3 | Very high | 150 Ų | 150 | 33.8 Ų | 33.8 | 57% | 0.568 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.8 | -48.1 | 176.2 | -175 | 90.5 | 0 | 0 | 0 | 111.8 | L20 F21 G26 V27 L28 L108 L112 | L20-W24 PolarHBondContact O-N 2.79Å; F21-W24 PolarHBondContact O-N 3.19Å; W24-G26 VanDerWaalsContact C-N 3.27Å; W24-G26 PolarHBondContact O-N 2.84Å; W24-V27 PolarHBondContact O-N 3.26Å; W24-L28 HydrophobicContact CH2-CD2 4.21Å; W24-L28 HydrophobicContact CZ3-CD2 3.89Å; W24-L28 PolarHBondContact O-N 3.41Å; W24-L28 VanDerWaalsContact O-N 3.13Å; W24-L108 HydrophobicContact CE3-CD2 4.07Å; W24-L108 HydrophobicContact CZ3-CD2 3.67Å; W24-L112 HydrophobicContact CH2-CD1 4.37Å |
| 25 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -36.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F21 L28 G29 V63 F67 L108 | F21-A25 WeakPolarHBondContact O-CB 3.36Å; F21-A25 PolarHBondContact O-N 3.41Å; A25-L28 WeakPolarHBondContact O-CB 3.36Å; A25-L28 PolarHBondContact O-N 2.67Å; A25-G29 PolarHBondContact O-N 3.43Å; A25-V63 HydrophobicContact CB-CG1 4.28Å; A25-V63 WeakPolarHBondContact O-CG1 3.37Å; A25-F67 HydrophobicContact CB-CB 3.87Å; A25-F67 VanDerWaalsContact CB-O 3.31Å; A25-F67 WeakPolarHBondContact CB-O 3.36Å; A25-L108 HydrophobicContact CB-CD2 4.29Å |
| 26 | G | 97.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G22 A23 W24 G29 T30 | G22-G26 PolarHBondContact O-N 3.3Å; A23-G26 PolarHBondContact O-N 3.34Å; W24-G26 VanDerWaalsContact C-N 3.27Å; W24-G26 PolarHBondContact O-N 2.84Å; G26-G29 PolarHBondContact O-N 3.04Å; G26-T30 WeakPolarHBondContact O-CB 3.3Å; G26-T30 PolarHBondContact O-N 3.05Å; G26-T30 PolarHBondContact O-OG1 2.73Å |
| 27 | V | 97.9 | Very high | 98.2 | Very high | 72 Ų | 72 | 37.5 Ų | 37.5 | 44% | 0.436 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | A23 W24 T30 A31 | A23-V27 PolarHBondContact O-N 2.99Å; A23-V27 VanDerWaalsContact O-N 3.09Å; W24-V27 PolarHBondContact O-N 3.26Å; V27-T30 PolarHBondContact O-N 3.41Å; V27-A31 PolarHBondContact O-N 2.98Å |
| 28 | L | 98.4 | Very high | 98.1 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 174.6 | 169.1 | 66.7 | 0 | 0 | 0 | 111.8 | W24 A25 T30 A31 L32 V63 L112 | W24-L28 HydrophobicContact CH2-CD2 4.21Å; W24-L28 HydrophobicContact CZ3-CD2 3.89Å; W24-L28 PolarHBondContact O-N 3.41Å; W24-L28 VanDerWaalsContact O-N 3.13Å; A25-L28 WeakPolarHBondContact O-CB 3.36Å; A25-L28 PolarHBondContact O-N 2.67Å; L28-T30 VanDerWaalsContact C-N 3.29Å; L28-T30 PolarHBondContact O-N 3.15Å; L28-A31 WeakPolarHBondContact O-CB 3.46Å; L28-A31 PolarHBondContact O-N 3.43Å; L28-A31 VanDerWaalsContact O-N 3.14Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.34Å; L28-V63 HydrophobicContact CD2-CG1 4.25Å; L28-V63 HydrophobicContact CD2-CG2 4.22Å; L28-V63 HydrophobicContact CG-CG1 4.32Å; L28-L112 HydrophobicContact CD2-CD1 4.18Å; L28-L112 HydrophobicContact CD2-CD2 3.86Å; L28-L112 HydrophobicContact CD2-CG 4.47Å |
| 29 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -37.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A25 G26 L32 S33 H60 | A25-G29 PolarHBondContact O-N 3.43Å; G26-G29 PolarHBondContact O-N 3.04Å; G29-L32 PolarHBondContact O-N 3.33Å; G29-S33 PolarHBondContact O-N 2.74Å; G29-H60 PolarHBondContact O-ND1 2.9Å |
| 30 | T | 96.9 | Very high | 98 | Very high | 29 Ų | 29 | 36.4 Ų | 36.4 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 173.4 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | G26 V27 L28 L32 S33 L34 V464 | G26-T30 WeakPolarHBondContact O-CB 3.3Å; G26-T30 PolarHBondContact O-N 3.05Å; G26-T30 PolarHBondContact O-OG1 2.73Å; V27-T30 PolarHBondContact O-N 3.41Å; L28-T30 VanDerWaalsContact C-N 3.29Å; L28-T30 PolarHBondContact O-N 3.15Å; T30-L32 VanDerWaalsContact C-N 3.33Å; T30-L32 PolarHBondContact O-N 3.1Å; T30-S33 WeakPolarHBondContact O-CB 3.39Å; T30-S33 PolarHBondContact O-N 3.4Å; T30-S33 VanDerWaalsContact O-N 3.12Å; T30-S33 PolarHBondContact O-OG 2.98Å; T30-L34 HydrophobicContact CG2-CD1 4.18Å; T30-L34 WeakPolarHBondContact O-CG 3.34Å; T30-L34 PolarHBondContact O-N 3.1Å; T30-V464 HydrophobicContact CG2-CG2 4.34Å |
| 31 | A | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 32 Ų | 32 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V27 L28 S33 L34 L35 | V27-A31 PolarHBondContact O-N 2.98Å; L28-A31 WeakPolarHBondContact O-CB 3.46Å; L28-A31 PolarHBondContact O-N 3.43Å; L28-A31 VanDerWaalsContact O-N 3.14Å; A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 2.89Å; A31-L34 PolarHBondContact O-N 3.05Å; A31-L35 PolarHBondContact O-N 3.17Å; A31-L35 VanDerWaalsContact O-N 3.14Å |
| 32 | L | 98.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 36.6 Ų | 36.6 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 173.9 | -62.7 | 170.9 | 0 | 0 | 0 | 111.7 | L28 G29 T30 L34 L35 I36 I56 A59 H60 V63 | L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.34Å; G29-L32 PolarHBondContact O-N 3.33Å; T30-L32 VanDerWaalsContact C-N 3.33Å; T30-L32 PolarHBondContact O-N 3.1Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 3.17Å; L32-L35 PolarHBondContact O-N 2.93Å; L32-I36 WeakPolarHBondContact O-CG1 3.17Å; L32-I36 PolarHBondContact O-N 3.16Å; L32-I36 VanDerWaalsContact O-N 3.1Å; L32-I56 HydrophobicContact CB-CG2 4.04Å; L32-I56 HydrophobicContact CD2-CG2 4Å; L32-I56 WeakPolarHBondContact O-CG2 3.31Å; L32-A59 HydrophobicContact CD1-CB 3.85Å; L32-H60 HydrophobicContact CB-CB 3.87Å; L32-H60 HydrophobicContact CD1-CB 4.45Å; L32-V63 HydrophobicContact CD1-CG2 4.41Å |
| 33 | S | 97.9 | Very high | 97.4 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 176.7 | 84.7 | 0 | 0 | 0 | 0 | 112.9 | G29 T30 A31 I36 R37 H60 | G29-S33 PolarHBondContact O-N 2.74Å; T30-S33 WeakPolarHBondContact O-CB 3.39Å; T30-S33 PolarHBondContact O-N 3.4Å; T30-S33 VanDerWaalsContact O-N 3.12Å; T30-S33 PolarHBondContact O-OG 2.98Å; A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 2.89Å; S33-I36 WeakPolarHBondContact O-CB 3.39Å; S33-I36 PolarHBondContact O-N 3.5Å; S33-R37 PolarHBondContact O-N 3.38Å; S33-H60 VanDerWaalsContact CB-CE1 3.41Å; S33-H60 WeakPolarHBondContact CB-CE1 3.44Å |
| 34 | L | 97.9 | Very high | 97.1 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 14% | 0.141 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.2 | -37 | 178 | -71.9 | 163.3 | 0 | 0 | 0 | 111.3 | T30 A31 L32 I36 R37 A38 S457 F458 L461 | T30-L34 HydrophobicContact CG2-CD1 4.18Å; T30-L34 WeakPolarHBondContact O-CG 3.34Å; T30-L34 PolarHBondContact O-N 3.1Å; A31-L34 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 3.17Å; L34-I36 VanDerWaalsContact C-N 3.34Å; L34-R37 PolarHBondContact O-N 3.25Å; L34-A38 WeakPolarHBondContact O-CB 3.29Å; L34-A38 PolarHBondContact O-N 3.11Å; L34-S457 WeakPolarHBondContact CD2-OG 3.46Å; L34-F458 HydrophobicContact CD2-CD1 4.21Å; L34-F458 HydrophobicContact CD2-CE1 4.36Å; L34-L461 HydrophobicContact CD1-CB 4.14Å; L34-L461 HydrophobicContact CD1-CD1 3.83Å; L34-L461 HydrophobicContact CD1-CD2 3.87Å; L34-L461 HydrophobicContact CD1-CG 4.14Å; L34-L461 HydrophobicContact CD2-CB 4.12Å; L34-L461 HydrophobicContact CD2-CD2 4.44Å |
| 35 | L | 97.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 34.3 Ų | 34.3 | 42% | 0.424 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 172.5 | -66.4 | 175.2 | 0 | 0 | 0 | 111.1 | A31 L32 R37 A38 E39 I56 | A31-L35 PolarHBondContact O-N 3.17Å; A31-L35 VanDerWaalsContact O-N 3.14Å; L32-L35 PolarHBondContact O-N 2.93Å; L35-R37 PolarHBondContact O-N 3.03Å; L35-A38 PolarHBondContact O-N 3.41Å; L35-E39 PolarHBondContact O-N 2.86Å; L35-I56 HydrophobicContact CB-CD1 4.47Å; L35-I56 HydrophobicContact CB-CG2 4.3Å; L35-I56 HydrophobicContact CD1-CD1 4.23Å |
| 36 | I | 98.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.5 | -65 | 163.4 | 0 | 0 | 0 | 110.7 | L32 S33 L34 E39 L40 Y53 I56 V57 H60 | L32-I36 WeakPolarHBondContact O-CG1 3.17Å; L32-I36 PolarHBondContact O-N 3.16Å; L32-I36 VanDerWaalsContact O-N 3.1Å; S33-I36 WeakPolarHBondContact O-CB 3.39Å; S33-I36 PolarHBondContact O-N 3.5Å; L34-I36 VanDerWaalsContact C-N 3.34Å; I36-E39 PolarHBondContact O-N 3.18Å; I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 3Å; I36-Y53 HydrophobicContact CB-CE2 4.43Å; I36-Y53 HydrophobicContact CG1-CE2 4.48Å; I36-Y53 HydrophobicContact CG2-CE2 3.92Å; I36-I56 HydrophobicContact CD1-CG2 4.09Å; I36-I56 HydrophobicContact CG1-CG2 3.72Å; I36-V57 HydrophobicContact CD1-CB 4.31Å; I36-V57 HydrophobicContact CD1-CG2 3.77Å; I36-V57 HydrophobicContact CG1-CG2 3.89Å; I36-V57 HydrophobicContact CG2-CG2 4.42Å; I36-H60 HydrophobicContact CD1-CB 3.92Å |
| 37 | R | 97.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74 | -27.9 | -179.9 | -68.3 | -46.9 | -49 | 168.3 | 8.5 | 113.5 | S33 L34 L35 G41 N450 S454 | S33-R37 PolarHBondContact O-N 3.38Å; L34-R37 PolarHBondContact O-N 3.25Å; L35-R37 PolarHBondContact O-N 3.03Å; R37-G41 PolarHBondContact O-N 2.99Å; R37-G41 VanDerWaalsContact O-N 3.07Å; R37-N450 PolarHBondContact NH2-O 2.88Å; R37-N450 PolarHBondContact NH2-OD1 2.72Å; R37-S454 PolarHBondContact NE-OG 3.3Å; R37-S454 PolarHBondContact NH2-OG 3.4Å; R37-S454 WeakPolarHBondContact O-CB 3.47Å; R37-S454 PolarHBondContact O-OG 3.23Å |
| 38 | A | 97 | Very high | 95.7 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68 | -44.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L34 L35 L40 G41 L46 F458 | L34-A38 WeakPolarHBondContact O-CB 3.29Å; L34-A38 PolarHBondContact O-N 3.11Å; L35-A38 PolarHBondContact O-N 3.41Å; A38-L40 VanDerWaalsContact C-N 3.33Å; A38-L40 PolarHBondContact O-N 2.95Å; A38-G41 PolarHBondContact O-N 3.34Å; A38-G41 VanDerWaalsContact O-N 3.13Å; A38-L46 HydrophobicContact CB-CD2 4.04Å; A38-F458 HydrophobicContact CB-CZ 4.46Å |
| 39 | E | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -50.1 | 173.9 | -171.1 | 64.9 | -165.5 | 0 | 0 | 110.6 | L35 I36 G41 N45 L46 L47 Y53 | L35-E39 PolarHBondContact O-N 2.86Å; I36-E39 PolarHBondContact O-N 3.18Å; E39-G41 PolarHBondContact O-N 3.17Å; E39-N45 WeakPolarHBondContact OE1-CA 3.47Å; E39-L46 PolarHBondContact OE1-N 3.34Å; E39-L46 WeakPolarHBondContact OE2-CA 3.29Å; E39-L46 WeakPolarHBondContact OE2-CB 3.35Å; E39-L46 PolarHBondContact OE2-N 3.42Å; E39-L47 HydrophobicContact CB-CD1 4.36Å; E39-L47 HydrophobicContact CG-CD1 4.31Å; E39-L47 PolarHBondContact OE1-N 2.83Å; E39-L47 VanDerWaalsContact OE2-CB 3.3Å; E39-L47 WeakPolarHBondContact OE2-CB 3.41Å; E39-L47 WeakPolarHBondContact OE2-CG 3.48Å; E39-L47 PolarHBondContact OE2-N 3.28Å; E39-Y53 HydrophobicContact CB-CD2 4.18Å; E39-Y53 HydrophobicContact CB-CE2 4.36Å; E39-Y53 HydrophobicContact CG-CD2 3.94Å; E39-Y53 HydrophobicContact CG-CE2 4.34Å |
| 40 | L | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 5.7 | -178.4 | -62.3 | 171.6 | 0 | 0 | 0 | 113.9 | I36 A38 Q42 Y53 Y370 Y442 N450 | I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 3Å; A38-L40 VanDerWaalsContact C-N 3.33Å; A38-L40 PolarHBondContact O-N 2.95Å; L40-Q42 PolarHBondContact O-N 3.49Å; L40-Y53 HydrophobicContact CD1-CE2 4.46Å; L40-Y53 WeakPolarHBondContact CD1-OH 3.43Å; L40-Y53 HydrophobicContact CG-CE2 4.27Å; L40-Y370 WeakPolarHBondContact CD1-OH 3Å; L40-Y442 HydrophobicContact CB-CE1 4.14Å; L40-Y442 HydrophobicContact CD2-CD1 3.84Å; L40-Y442 HydrophobicContact CD2-CE1 4Å; L40-Y442 VanDerWaalsContact O-CE1 3.27Å; L40-Y442 WeakPolarHBondContact O-CE1 3.42Å; L40-Y442 PolarHBondContact O-OH 3.45Å; L40-N450 WeakPolarHBondContact O-CB 3.44Å |
| 41 | G | 95.4 | Very high | 95.3 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R37 A38 E39 I451 | R37-G41 PolarHBondContact O-N 2.99Å; R37-G41 VanDerWaalsContact O-N 3.07Å; A38-G41 PolarHBondContact O-N 3.34Å; A38-G41 VanDerWaalsContact O-N 3.13Å; E39-G41 PolarHBondContact O-N 3.17Å; G41-I451 WeakPolarHBondContact O-CG1 3.45Å |
| 42 | Q | 93.6 | Very high | 95.2 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -151.9 | 158.9 | 176.9 | 62 | -173.8 | 0.6 | 0 | 0 | 109.3 | L40 Y442 | L40-Q42 PolarHBondContact O-N 3.49Å; Q42-Y442 VanDerWaalsContact C-OH 3.27Å; Q42-Y442 VanDerWaalsContact CA-OH 3.31Å; Q42-Y442 WeakPolarHBondContact CA-OH 3.4Å; Q42-Y442 PolarHBondContact N-OH 2.82Å |
| 43 | P | 93.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 26% | 0.26 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -61 | 149.1 | 169.5 | -21.3 | 32 | 0 | 0 | 0 | 112.4 | Y442 T447 | P43-Y442 HydrophobicContact CB-CE2 4.5Å; P43-Y442 HydrophobicContact CG-CD2 4.36Å; P43-Y442 HydrophobicContact CG-CE2 3.77Å; P43-T447 HydrophobicContact CG-CG2 4.35Å; P43-T447 WeakPolarHBondContact CG-OG1 3.25Å |
| 44 | G | 91.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 91 | 166 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D441 | G44-D441 PolarHBondContact N-OD1 3.46Š|
| 45 | N | 86.1 | Confident | 95.2 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | trans | -87.1 | 120.3 | -169.5 | -64.5 | -10.1 | 0 | 0 | 0 | 112.4 | E39 | E39-N45 WeakPolarHBondContact OE1-CA 3.47Š| ||
| 46 | L | 92.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 45.4 Ų | 45.4 | 58% | 0.576 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -90.4 | -44.4 | 170.4 | 167.3 | 75.2 | 0 | 0 | 0 | 111 | A38 E39 G48 | A38-L46 HydrophobicContact CB-CD2 4.04Å; E39-L46 PolarHBondContact OE1-N 3.34Å; E39-L46 WeakPolarHBondContact OE2-CA 3.29Å; E39-L46 WeakPolarHBondContact OE2-CB 3.35Å; E39-L46 PolarHBondContact OE2-N 3.42Å; L46-G48 VanDerWaalsContact C-N 3.32Å |
| 47 | L | 92.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -74 | -24.5 | 176.8 | -75.5 | 170.1 | 0 | 0 | 0 | 112.1 | E39 N49 I56 | E39-L47 HydrophobicContact CB-CD1 4.36Å; E39-L47 HydrophobicContact CG-CD1 4.31Å; E39-L47 PolarHBondContact OE1-N 2.83Å; E39-L47 VanDerWaalsContact OE2-CB 3.3Å; E39-L47 WeakPolarHBondContact OE2-CB 3.41Å; E39-L47 WeakPolarHBondContact OE2-CG 3.48Å; E39-L47 PolarHBondContact OE2-N 3.28Å; L47-N49 PolarHBondContact O-N 3.41Å; L47-I56 HydrophobicContact CD1-CD1 3.89Å; L47-I56 HydrophobicContact CD2-CD1 4.45Å |
| 48 | G | 92.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 60% | 0.598 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 72.3 | 7.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L46 | L46-G48 VanDerWaalsContact C-N 3.32Š|
| 49 | N | 94.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | trans | -151.5 | 112.4 | 179.2 | -174.1 | -39.6 | 0 | 0 | 0 | 111.9 | L47 H51 I52 Y53 | L47-N49 PolarHBondContact O-N 3.41Å; N49-H51 VanDerWaalsContact C-N 3.3Å; N49-H51 PolarHBondContact O-N 3Å; N49-H51 WeakPolarHBondContact OD1-CA 3.34Å; N49-H51 VanDerWaalsContact OD1-CB 3.3Å; N49-H51 WeakPolarHBondContact OD1-CB 3.19Å; N49-H51 PolarHBondContact OD1-N 3.4Å; N49-I52 HydrophobicContact CB-CB 4.15Å; N49-I52 HydrophobicContact CB-CD1 3.86Å; N49-I52 HydrophobicContact CB-CG1 3.97Å; N49-I52 PolarHBondContact O-N 3.21Å; N49-I52 PolarHBondContact OD1-N 3.26Å; N49-I52 VanDerWaalsContact OD1-N 3.13Å; N49-Y53 PolarHBondContact O-N 3.25Å | ||
| 50 | D | 94.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 43% | 0.428 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -31.7 | -177.9 | -57.1 | -25.6 | 0 | 0 | 0 | 113.3 | Y53 N54 S440 | D50-Y53 WeakPolarHBondContact O-CB 3.48Å; D50-Y53 PolarHBondContact O-N 3.03Å; D50-N54 PolarHBondContact O-N 2.59Å; D50-N54 VanDerWaalsContact O-N 3.12Å; D50-N54 PolarHBondContact O-ND2 3.4Å; D50-S440 WeakPolarHBondContact CB-OG 3.45Å; D50-S440 WeakPolarHBondContact OD1-CB 3.42Å; D50-S440 PolarHBondContact OD1-OG 2.9Å |
| 51 | H | 96.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 177.5 | -175.3 | 67.9 | 0 | 0 | 0 | 111.1 | N49 Y53 N54 V55 A119 G120 H137 | N49-H51 VanDerWaalsContact C-N 3.3Å; N49-H51 PolarHBondContact O-N 3Å; N49-H51 WeakPolarHBondContact OD1-CA 3.34Å; N49-H51 VanDerWaalsContact OD1-CB 3.3Å; N49-H51 WeakPolarHBondContact OD1-CB 3.19Å; N49-H51 PolarHBondContact OD1-N 3.4Å; H51-Y53 VanDerWaalsContact C-N 3.27Å; H51-Y53 PolarHBondContact O-N 3.49Å; H51-N54 PolarHBondContact O-N 2.7Å; H51-V55 WeakPolarHBondContact O-CG2 3.27Å; H51-V55 PolarHBondContact O-N 3.06Å; H51-A119 PolarHBondContact CD2-O 2.83Å; H51-A119 WeakPolarHBondContact NE2-CB 3.45Å; H51-A119 PolarHBondContact NE2-O 2.75Å; H51-G120 PolarHBondContact NE2-O 3.41Å; H51-H137 AromaticContact CE1-NE2 3.48Å; H51-H137 PolarHBondContact CE1-NE2 2.98Å |
| 52 | I | 96.7 | Very high | 95.6 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 174.8 | -67.1 | 179.3 | 0 | 0 | 0 | 110.5 | N49 N54 V55 I56 | N49-I52 HydrophobicContact CB-CB 4.15Å; N49-I52 HydrophobicContact CB-CD1 3.86Å; N49-I52 HydrophobicContact CB-CG1 3.97Å; N49-I52 PolarHBondContact O-N 3.21Å; N49-I52 PolarHBondContact OD1-N 3.26Å; N49-I52 VanDerWaalsContact OD1-N 3.13Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.13Å; I52-V55 PolarHBondContact O-N 3.48Å; I52-I56 HydrophobicContact CG2-CD1 3.85Å; I52-I56 HydrophobicContact CG2-CG1 4.37Å; I52-I56 VanDerWaalsContact O-CG1 3.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.5Å; I52-I56 PolarHBondContact O-N 3.31Å |
| 53 | Y | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.7 | -46.8 | 173.6 | 171 | -94 | 0 | 0 | 0 | 111.8 | I36 E39 L40 N49 D50 H51 V55 I56 V57 Y439 | I36-Y53 HydrophobicContact CB-CE2 4.43Å; I36-Y53 HydrophobicContact CG1-CE2 4.48Å; I36-Y53 HydrophobicContact CG2-CE2 3.92Å; E39-Y53 HydrophobicContact CB-CD2 4.18Å; E39-Y53 HydrophobicContact CB-CE2 4.36Å; E39-Y53 HydrophobicContact CG-CD2 3.94Å; E39-Y53 HydrophobicContact CG-CE2 4.34Å; L40-Y53 HydrophobicContact CD1-CE2 4.46Å; L40-Y53 WeakPolarHBondContact CD1-OH 3.43Å; L40-Y53 HydrophobicContact CG-CE2 4.27Å; N49-Y53 PolarHBondContact O-N 3.25Å; D50-Y53 WeakPolarHBondContact O-CB 3.48Å; D50-Y53 PolarHBondContact O-N 3.03Å; H51-Y53 VanDerWaalsContact C-N 3.27Å; H51-Y53 PolarHBondContact O-N 3.49Å; Y53-V55 VanDerWaalsContact C-N 3.35Å; Y53-V55 PolarHBondContact O-N 2.9Å; Y53-I56 PolarHBondContact O-N 3.16Å; Y53-V57 HydrophobicContact CD1-CG2 4.12Å; Y53-V57 HydrophobicContact CD2-CG2 4.44Å; Y53-V57 HydrophobicContact CE1-CG2 3.73Å; Y53-V57 HydrophobicContact CE2-CG2 4.07Å; Y53-V57 HydrophobicContact CG-CG2 4.47Å; Y53-V57 VanDerWaalsContact O-CG2 3.32Å; Y53-V57 WeakPolarHBondContact O-CG2 3.4Å; Y53-V57 PolarHBondContact O-N 2.97Å; Y53-Y439 VanDerWaalsContact CE1-C 3.41Å; Y53-Y439 VanDerWaalsContact CE1-O 3.22Å; Y53-Y439 WeakPolarHBondContact CE1-O 3.26Å; Y53-Y439 PolarHBondContact OH-O 3.06Å |
| 54 | N | 97.9 | Very high | 96 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -34.6 | 177.9 | -75 | -41.2 | 0 | 0 | 0 | 113.4 | D50 H51 I52 V57 T58 R438 | D50-N54 PolarHBondContact O-N 2.59Å; D50-N54 VanDerWaalsContact O-N 3.12Å; D50-N54 PolarHBondContact O-ND2 3.4Å; H51-N54 PolarHBondContact O-N 2.7Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.13Å; N54-V57 PolarHBondContact O-N 3.22Å; N54-T58 VanDerWaalsContact O-CB 3.32Å; N54-T58 WeakPolarHBondContact O-CB 3.5Å; N54-T58 PolarHBondContact O-N 3.37Å; N54-T58 PolarHBondContact O-OG1 3.41Å; N54-R438 PolarHBondContact OD1-O 3.42Å |
| 55 | V | 98.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 172.1 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | H51 I52 Y53 T58 A59 A115 A119 | H51-V55 WeakPolarHBondContact O-CG2 3.27Å; H51-V55 PolarHBondContact O-N 3.06Å; I52-V55 PolarHBondContact O-N 3.48Å; Y53-V55 VanDerWaalsContact C-N 3.35Å; Y53-V55 PolarHBondContact O-N 2.9Å; V55-T58 PolarHBondContact O-N 3.24Å; V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3Å; V55-A115 HydrophobicContact CG1-CB 3.83Å; V55-A119 WeakPolarHBondContact CG2-O 3.44Å |
| 56 | I | 98.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.3 | -66.2 | 168 | 0 | 0 | 0 | 110.8 | L32 L35 I36 L47 I52 Y53 T58 A59 H60 | L32-I56 HydrophobicContact CB-CG2 4.04Å; L32-I56 HydrophobicContact CD2-CG2 4Å; L32-I56 WeakPolarHBondContact O-CG2 3.31Å; L35-I56 HydrophobicContact CB-CD1 4.47Å; L35-I56 HydrophobicContact CB-CG2 4.3Å; L35-I56 HydrophobicContact CD1-CD1 4.23Å; I36-I56 HydrophobicContact CD1-CG2 4.09Å; I36-I56 HydrophobicContact CG1-CG2 3.72Å; L47-I56 HydrophobicContact CD1-CD1 3.89Å; L47-I56 HydrophobicContact CD2-CD1 4.45Å; I52-I56 HydrophobicContact CG2-CD1 3.85Å; I52-I56 HydrophobicContact CG2-CG1 4.37Å; I52-I56 VanDerWaalsContact O-CG1 3.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.5Å; I52-I56 PolarHBondContact O-N 3.31Å; Y53-I56 PolarHBondContact O-N 3.16Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 3.31Å; I56-A59 PolarHBondContact O-N 3.01Å; I56-H60 VanDerWaalsContact O-CB 3.29Å; I56-H60 WeakPolarHBondContact O-CB 3.36Å; I56-H60 PolarHBondContact O-N 2.8Å |
| 57 | V | 98.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 17% | 0.17 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | I36 Y53 N54 A61 R438 | I36-V57 HydrophobicContact CD1-CB 4.31Å; I36-V57 HydrophobicContact CD1-CG2 3.77Å; I36-V57 HydrophobicContact CG1-CG2 3.89Å; I36-V57 HydrophobicContact CG2-CG2 4.42Å; Y53-V57 HydrophobicContact CD1-CG2 4.12Å; Y53-V57 HydrophobicContact CD2-CG2 4.44Å; Y53-V57 HydrophobicContact CE1-CG2 3.73Å; Y53-V57 HydrophobicContact CE2-CG2 4.07Å; Y53-V57 HydrophobicContact CG-CG2 4.47Å; Y53-V57 VanDerWaalsContact O-CG2 3.32Å; Y53-V57 WeakPolarHBondContact O-CG2 3.4Å; Y53-V57 PolarHBondContact O-N 2.97Å; N54-V57 PolarHBondContact O-N 3.22Å; V57-A61 PolarHBondContact O-N 3.09Å; V57-R438 HydrophobicContact CG1-CG 4.47Å |
| 58 | T | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -48.1 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | N54 V55 I56 A61 F62 A121 G124 | N54-T58 VanDerWaalsContact O-CB 3.32Å; N54-T58 WeakPolarHBondContact O-CB 3.5Å; N54-T58 PolarHBondContact O-N 3.37Å; N54-T58 PolarHBondContact O-OG1 3.41Å; V55-T58 PolarHBondContact O-N 3.24Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 3.31Å; T58-A61 PolarHBondContact O-N 3.41Å; T58-F62 HydrophobicContact CG2-CD2 3.78Å; T58-F62 HydrophobicContact CG2-CE2 3.51Å; T58-F62 VanDerWaalsContact O-CD2 3.32Å; T58-F62 WeakPolarHBondContact O-CD2 3.45Å; T58-F62 PolarHBondContact O-N 3.45Å; T58-F62 VanDerWaalsContact O-N 3.14Å; T58-A121 WeakPolarHBondContact CB-O 3.47Å; T58-A121 WeakPolarHBondContact CG2-O 3.28Å; T58-A121 PolarHBondContact OG1-O 2.93Å; T58-G124 WeakPolarHBondContact OG1-CA 3.22Å; T58-G124 PolarHBondContact OG1-N 2.72Å |
| 59 | A | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 7% | 0.066 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L32 V55 I56 A61 F62 V63 | L32-A59 HydrophobicContact CD1-CB 3.85Å; V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3Å; I56-A59 PolarHBondContact O-N 3.01Å; A59-A61 VanDerWaalsContact C-N 3.35Å; A59-A61 PolarHBondContact O-N 3.44Å; A59-F62 PolarHBondContact O-N 2.84Å; A59-V63 VanDerWaalsContact O-CB 3.31Å; A59-V63 WeakPolarHBondContact O-CB 3.06Å; A59-V63 WeakPolarHBondContact O-CG2 3.33Å; A59-V63 PolarHBondContact O-N 3.35Å |
| 60 | H | 98.4 | Very high | 97.8 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 14% | 0.139 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.6 | -51.2 | 176.3 | 168.3 | 68.6 | 0 | 0 | 0 | 111.1 | G29 L32 S33 I36 I56 F62 V63 M64 | G29-H60 PolarHBondContact O-ND1 2.9Å; L32-H60 HydrophobicContact CB-CB 3.87Å; L32-H60 HydrophobicContact CD1-CB 4.45Å; S33-H60 VanDerWaalsContact CB-CE1 3.41Å; S33-H60 WeakPolarHBondContact CB-CE1 3.44Å; I36-H60 HydrophobicContact CD1-CB 3.92Å; I56-H60 VanDerWaalsContact O-CB 3.29Å; I56-H60 WeakPolarHBondContact O-CB 3.36Å; I56-H60 PolarHBondContact O-N 2.8Å; H60-F62 PolarHBondContact O-N 3.41Å; H60-V63 PolarHBondContact O-N 2.87Å; H60-M64 VanDerWaalsContact CE1-CG 3.41Å; H60-M64 WeakPolarHBondContact CE1-CG 3.4Å; H60-M64 WeakPolarHBondContact O-CB 3.23Å; H60-M64 VanDerWaalsContact O-CG 3.23Å; H60-M64 WeakPolarHBondContact O-CG 3.34Å; H60-M64 PolarHBondContact O-N 3.21Å |
| 61 | A | 98 | Very high | 98 | Very high | 18 Ų | 18 | 17.8 Ų | 17.8 | 15% | 0.149 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V57 T58 A59 M64 I65 W125 | V57-A61 PolarHBondContact O-N 3.09Å; T58-A61 PolarHBondContact O-N 3.41Å; A59-A61 VanDerWaalsContact C-N 3.35Å; A59-A61 PolarHBondContact O-N 3.44Å; A61-M64 PolarHBondContact O-N 3.18Å; A61-I65 WeakPolarHBondContact O-CB 3.42Å; A61-I65 WeakPolarHBondContact O-CG1 3.38Å; A61-I65 PolarHBondContact O-N 3.23Å; A61-W125 HydrophobicContact CB-CB 3.58Å; A61-W125 HydrophobicContact CB-CG 4.04Å |
| 62 | F | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 178.7 | -74.9 | -50.3 | 0 | 0 | 0 | 112.7 | T58 A59 H60 M64 I65 F66 F67 L111 W125 V127 T145 L149 | T58-F62 HydrophobicContact CG2-CD2 3.78Å; T58-F62 HydrophobicContact CG2-CE2 3.51Å; T58-F62 VanDerWaalsContact O-CD2 3.32Å; T58-F62 WeakPolarHBondContact O-CD2 3.45Å; T58-F62 PolarHBondContact O-N 3.45Å; T58-F62 VanDerWaalsContact O-N 3.14Å; A59-F62 PolarHBondContact O-N 2.84Å; H60-F62 PolarHBondContact O-N 3.41Å; F62-M64 PolarHBondContact O-N 3.16Å; F62-I65 PolarHBondContact O-N 2.97Å; F62-F66 AromaticContact CD1-CD2 3.77Å; F62-F66 HydrophobicContact CD1-CD2 3.77Å; F62-F66 AromaticContact CD1-CE2 3.73Å; F62-F66 HydrophobicContact CD1-CE2 3.73Å; F62-F66 HydrophobicContact CE1-CE2 4.1Å; F62-F66 WeakPolarHBondContact O-CB 3.32Å; F62-F66 PolarHBondContact O-N 3.25Å; F62-F67 WeakPolarHBondContact O-CD2 3.19Å; F62-L111 HydrophobicContact CB-CD1 4.09Å; F62-L111 HydrophobicContact CB-CD2 3.64Å; F62-L111 HydrophobicContact CD2-CD1 3.92Å; F62-L111 HydrophobicContact CG-CD1 4.3Å; F62-W125 HydrophobicContact CD1-CB 4.49Å; F62-W125 HydrophobicContact CE1-CB 4.17Å; F62-W125 WeakPolarHBondContact CE1-O 3.27Å; F62-W125 HydrophobicContact CE2-CB 4.49Å; F62-W125 HydrophobicContact CZ-CB 4.18Å; F62-W125 WeakPolarHBondContact CZ-O 3.44Å; F62-V127 HydrophobicContact CE2-CG2 4.2Å; F62-V127 HydrophobicContact CZ-CG2 3.64Å; F62-T145 HydrophobicContact CD2-CG2 4.19Å; F62-T145 HydrophobicContact CE2-CG2 3.62Å; F62-T145 HydrophobicContact CZ-CG2 4.18Å; F62-L149 HydrophobicContact CD1-CD2 3.79Å; F62-L149 HydrophobicContact CE1-CD1 3.76Å; F62-L149 HydrophobicContact CE1-CD2 3.78Å; F62-L149 HydrophobicContact CE1-CG 4.3Å; F62-L149 HydrophobicContact CZ-CD1 3.88Å |
| 63 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -59.2 | -47.8 | 178 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | A25 L28 L32 A59 H60 F67 M68 L108 L111 | A25-V63 HydrophobicContact CB-CG1 4.28Å; A25-V63 WeakPolarHBondContact O-CG1 3.37Å; L28-V63 HydrophobicContact CD2-CG1 4.25Å; L28-V63 HydrophobicContact CD2-CG2 4.22Å; L28-V63 HydrophobicContact CG-CG1 4.32Å; L32-V63 HydrophobicContact CD1-CG2 4.41Å; A59-V63 VanDerWaalsContact O-CB 3.31Å; A59-V63 WeakPolarHBondContact O-CB 3.06Å; A59-V63 WeakPolarHBondContact O-CG2 3.33Å; A59-V63 PolarHBondContact O-N 3.35Å; H60-V63 PolarHBondContact O-N 2.87Å; V63-F67 CarbonylContact O-C 3.56Å; V63-F67 WeakPolarHBondContact O-CA 3.18Å; V63-F67 WeakPolarHBondContact O-CB 3.26Å; V63-F67 PolarHBondContact O-N 3.05Å; V63-F67 VanDerWaalsContact O-N 3.11Å; V63-M68 PolarHBondContact O-N 3.47Å; V63-L108 HydrophobicContact CG2-CD1 4.21Å; V63-L111 HydrophobicContact CG2-CD2 3.8Å |
| 64 | M | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 12.7 Ų | 12.7 | 14% | 0.143 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -66.7 | -43.4 | -178 | -67.5 | -61.5 | -72.2 | 0 | 0 | 112.3 | H60 A61 F62 M68 V69 | H60-M64 VanDerWaalsContact CE1-CG 3.41Å; H60-M64 WeakPolarHBondContact CE1-CG 3.4Å; H60-M64 WeakPolarHBondContact O-CB 3.23Å; H60-M64 VanDerWaalsContact O-CG 3.23Å; H60-M64 WeakPolarHBondContact O-CG 3.34Å; H60-M64 PolarHBondContact O-N 3.21Å; A61-M64 PolarHBondContact O-N 3.18Å; F62-M64 PolarHBondContact O-N 3.16Å; M64-M68 HydrophobicContact CE-CE 4.44Å; M64-M68 HydrophobicContact CE-SD 3.36Å; M64-M68 WeakPolarHBondContact CE-SD 3.32Å; M64-M68 WeakPolarHBondContact O-CB 3.43Å; M64-M68 HydrophobicContact SD-SD 3.7Å; M64-V69 WeakPolarHBondContact O-CB 3.38Å; M64-V69 VanDerWaalsContact O-CG2 3.25Å; M64-V69 WeakPolarHBondContact O-CG2 3.38Å; M64-V69 PolarHBondContact O-N 3Å |
| 65 | I | 96.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 10.9 Ų | 10.9 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -75.5 | -60 | -176.5 | -66.5 | 169.7 | 0 | 0 | 0 | 110.9 | A61 F62 M70 W125 L245 L380 | A61-I65 WeakPolarHBondContact O-CB 3.42Å; A61-I65 WeakPolarHBondContact O-CG1 3.38Å; A61-I65 PolarHBondContact O-N 3.23Å; F62-I65 PolarHBondContact O-N 2.97Å; I65-M70 HydrophobicContact CG2-CE 4.29Å; I65-M70 PolarHBondContact O-N 3.49Å; I65-M70 VanDerWaalsContact O-N 3.17Å; I65-W125 HydrophobicContact CD1-CE3 4.2Å; I65-W125 HydrophobicContact CD1-CZ3 4.26Å; I65-L245 HydrophobicContact CG1-CD1 4.31Å; I65-L245 HydrophobicContact CG2-CD1 3.8Å; I65-L245 HydrophobicContact CG2-CD2 4.29Å; I65-L380 HydrophobicContact CG1-CD2 4.43Å |
| 66 | F | 98.1 | Very high | 98.1 | Very high | 10 Ų | 10 | 10.3 Ų | 10.3 | 4% | 0.044 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -87.1 | -22.6 | -167.6 | -65.6 | -90.7 | 0 | 0 | 0 | 114 | F62 M70 P71 L149 F237 | F62-F66 AromaticContact CD1-CD2 3.77Å; F62-F66 HydrophobicContact CD1-CD2 3.77Å; F62-F66 AromaticContact CD1-CE2 3.73Å; F62-F66 HydrophobicContact CD1-CE2 3.73Å; F62-F66 HydrophobicContact CE1-CE2 4.1Å; F62-F66 WeakPolarHBondContact O-CB 3.32Å; F62-F66 PolarHBondContact O-N 3.25Å; F66-M70 HydrophobicContact CB-CE 4.05Å; F66-M70 HydrophobicContact CD1-CE 3.06Å; F66-M70 HydrophobicContact CE1-CE 3.53Å; F66-M70 HydrophobicContact CG-CE 3.68Å; F66-M70 HydrophobicContact CZ-CE 4.47Å; F66-P71 VanDerWaalsContact O-CD 3.24Å; F66-P71 WeakPolarHBondContact O-CD 3.48Å; F66-P71 WeakPolarHBondContact O-CG 3.38Å; F66-L149 HydrophobicContact CD1-CD2 4.36Å; F66-L149 HydrophobicContact CD2-CD2 4.1Å; F66-L149 HydrophobicContact CE1-CD2 4.38Å; F66-L149 HydrophobicContact CE2-CD2 4.09Å; F66-L149 HydrophobicContact CG-CD2 4.26Å; F66-L149 HydrophobicContact CZ-CD2 4.25Å; F66-F237 HydrophobicContact CE1-CZ 4.02Å; F66-F237 HydrophobicContact CZ-CE1 4.2Å; F66-F237 AromaticContact CZ-CZ 3.9Å; F66-F237 HydrophobicContact CZ-CZ 3.9Å |
| 67 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -116.4 | -18.6 | -172.8 | -59.9 | -79 | 0 | 0 | 0 | 114.2 | F21 G22 A25 F62 V63 P71 S107 L108 L111 A152 | F21-F67 HydrophobicContact CE1-CB 4.17Å; F21-F67 AromaticContact CE1-CD1 3.94Å; F21-F67 HydrophobicContact CE1-CD1 3.94Å; F21-F67 HydrophobicContact CZ-CB 4.46Å; F21-F67 AromaticContact CZ-CD1 3.77Å; F21-F67 HydrophobicContact CZ-CD1 3.77Å; G22-F67 WeakPolarHBondContact CA-O 3.23Å; A25-F67 HydrophobicContact CB-CB 3.87Å; A25-F67 VanDerWaalsContact CB-O 3.31Å; A25-F67 WeakPolarHBondContact CB-O 3.36Å; F62-F67 WeakPolarHBondContact O-CD2 3.19Å; V63-F67 CarbonylContact O-C 3.56Å; V63-F67 WeakPolarHBondContact O-CA 3.18Å; V63-F67 WeakPolarHBondContact O-CB 3.26Å; V63-F67 PolarHBondContact O-N 3.05Å; V63-F67 VanDerWaalsContact O-N 3.11Å; F67-P71 WeakPolarHBondContact O-CG 3.48Å; F67-S107 VanDerWaalsContact CE1-OG 3.28Å; F67-S107 WeakPolarHBondContact CE1-OG 3.46Å; F67-S107 WeakPolarHBondContact CZ-OG 3.38Å; F67-L108 HydrophobicContact CB-CD1 4.24Å; F67-L108 HydrophobicContact CD1-CB 3.74Å; F67-L108 HydrophobicContact CD1-CD1 4.11Å; F67-L108 HydrophobicContact CD1-CG 4.34Å; F67-L108 HydrophobicContact CD2-CD1 4.07Å; F67-L108 HydrophobicContact CE1-CB 3.72Å; F67-L108 HydrophobicContact CE1-CD1 4.47Å; F67-L108 HydrophobicContact CE2-CD1 4.47Å; F67-L108 HydrophobicContact CG-CB 4.37Å; F67-L108 HydrophobicContact CG-CD1 3.86Å; F67-L108 HydrophobicContact CZ-CB 4.38Å; F67-L111 HydrophobicContact CD2-CD2 3.96Å; F67-L111 HydrophobicContact CE2-CB 4.49Å; F67-L111 HydrophobicContact CE2-CD2 3.61Å; F67-A152 HydrophobicContact CZ-CB 4.41Å |
| 68 | M | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 8.1 Ų | 8.1 | 7% | 0.069 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -105 | -69.2 | 171.6 | 179.2 | -158.2 | 170.3 | 0 | 0 | 111.6 | V63 M64 I72 V385 | V63-M68 PolarHBondContact O-N 3.47Å; M64-M68 HydrophobicContact CE-CE 4.44Å; M64-M68 HydrophobicContact CE-SD 3.36Å; M64-M68 WeakPolarHBondContact CE-SD 3.32Å; M64-M68 WeakPolarHBondContact O-CB 3.43Å; M64-M68 HydrophobicContact SD-SD 3.7Å; M68-I72 HydrophobicContact CE-CD1 4.36Å; M68-I72 HydrophobicContact CG-CD1 3.84Å; M68-I72 WeakPolarHBondContact O-CB 3.49Å; M68-I72 VanDerWaalsContact O-CG1 3.23Å; M68-I72 WeakPolarHBondContact O-CG1 3.29Å; M68-I72 PolarHBondContact O-N 3.44Å; M68-V385 HydrophobicContact CE-CG1 4.31Å; M68-V385 HydrophobicContact CE-CG2 4.23Å |
| 69 | V | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.012 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -66.1 | -50.8 | -165.9 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | M64 I72 M73 L245 A384 I388 | M64-V69 WeakPolarHBondContact O-CB 3.38Å; M64-V69 VanDerWaalsContact O-CG2 3.25Å; M64-V69 WeakPolarHBondContact O-CG2 3.38Å; M64-V69 PolarHBondContact O-N 3Å; V69-I72 PolarHBondContact O-N 3.42Å; V69-M73 HydrophobicContact CG1-CE 3.2Å; V69-M73 HydrophobicContact CG1-SD 4.49Å; V69-M73 WeakPolarHBondContact O-CB 3.39Å; V69-M73 PolarHBondContact O-N 3.33Å; V69-L245 HydrophobicContact CB-CD2 4.32Å; V69-L245 HydrophobicContact CG1-CB 4.39Å; V69-L245 HydrophobicContact CG1-CD2 3.79Å; V69-A384 HydrophobicContact CG1-CB 3.8Å; V69-I388 HydrophobicContact CG1-CD1 4.48Å |
| 70 | M | 97.2 | Very high | 98.1 | Very high | 11 Ų | 11 | 8.1 Ų | 8.1 | 5% | 0.054 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.4 | -52 | 177.1 | -90.7 | -161.1 | -82 | 0 | 0 | 112.8 | I65 F66 I72 M73 I74 G75 L194 E241 I244 L245 | I65-M70 HydrophobicContact CG2-CE 4.29Å; I65-M70 PolarHBondContact O-N 3.49Å; I65-M70 VanDerWaalsContact O-N 3.17Å; F66-M70 HydrophobicContact CB-CE 4.05Å; F66-M70 HydrophobicContact CD1-CE 3.06Å; F66-M70 HydrophobicContact CE1-CE 3.53Å; F66-M70 HydrophobicContact CG-CE 3.68Å; F66-M70 HydrophobicContact CZ-CE 4.47Å; M70-I72 VanDerWaalsContact C-N 3.33Å; M70-I72 PolarHBondContact O-N 3.41Å; M70-M73 PolarHBondContact O-N 3.03Å; M70-I74 PolarHBondContact O-N 3.31Å; M70-G75 PolarHBondContact O-N 3.46Å; M70-L194 HydrophobicContact SD-CD2 4.31Å; M70-E241 WeakPolarHBondContact CE-OE1 3.4Å; M70-I244 HydrophobicContact CG-CG2 4.49Å; M70-I244 HydrophobicContact SD-CG2 4.42Å; M70-L245 HydrophobicContact CG-CD2 3.57Å |
| 71 | P | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 3% | 0.026 | 4% | 0.037 | C | C | . | . | I | π-helix | trans | -57.9 | -40 | 176.9 | -33.7 | 42.6 | 0 | 0 | 0 | 113.6 | Y18 F21 F66 F67 G75 G76 L104 | Y18-P71 HydrophobicContact CD1-CB 4.07Å; F21-P71 HydrophobicContact CD1-CB 4.15Å; F21-P71 HydrophobicContact CD1-CG 4.31Å; F21-P71 HydrophobicContact CE1-CG 4.23Å; F66-P71 VanDerWaalsContact O-CD 3.24Å; F66-P71 WeakPolarHBondContact O-CD 3.48Å; F66-P71 WeakPolarHBondContact O-CG 3.38Å; F67-P71 WeakPolarHBondContact O-CG 3.48Å; P71-G75 CarbonylContact O-C 3.57Å; P71-G75 VanDerWaalsContact O-C 3.28Å; P71-G75 WeakPolarHBondContact O-CA 3.42Å; P71-G75 PolarHBondContact O-N 3.42Å; P71-G75 VanDerWaalsContact O-N 3.13Å; P71-G76 PolarHBondContact O-N 3.48Å; P71-L104 HydrophobicContact CB-CD1 4.13Å; P71-L104 HydrophobicContact CG-CD1 3.74Å |
| 72 | I | 98.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 5.9 Ų | 5.9 | 6% | 0.062 | 3% | 0.03 | C | C | . | . | I | π-helix | trans | -70.4 | -49.5 | 179.7 | -68.4 | 172.4 | 0 | 0 | 0 | 111.4 | L19 M68 V69 M70 G76 F77 I388 | L19-I72 HydrophobicContact CD2-CG2 3.96Å; M68-I72 HydrophobicContact CE-CD1 4.36Å; M68-I72 HydrophobicContact CG-CD1 3.84Å; M68-I72 WeakPolarHBondContact O-CB 3.49Å; M68-I72 VanDerWaalsContact O-CG1 3.23Å; M68-I72 WeakPolarHBondContact O-CG1 3.29Å; M68-I72 PolarHBondContact O-N 3.44Å; V69-I72 PolarHBondContact O-N 3.42Å; M70-I72 VanDerWaalsContact C-N 3.33Å; M70-I72 PolarHBondContact O-N 3.41Å; I72-G76 CarbonylContact O-C 3.6Å; I72-G76 VanDerWaalsContact O-CA 3.28Å; I72-G76 WeakPolarHBondContact O-CA 3.11Å; I72-G76 PolarHBondContact O-N 3.02Å; I72-F77 HydrophobicContact CG2-CD2 3.99Å; I72-F77 HydrophobicContact CG2-CE2 3.73Å; I72-F77 WeakPolarHBondContact O-CD2 3.36Å; I72-F77 PolarHBondContact O-N 2.73Å; I72-I388 HydrophobicContact CB-CD1 4.19Å; I72-I388 HydrophobicContact CD1-CG2 4.5Å; I72-I388 HydrophobicContact CG2-CB 4.37Å; I72-I388 HydrophobicContact CG2-CD1 3.94Å; I72-I388 HydrophobicContact CG2-CG1 3.83Å; I72-I388 HydrophobicContact CG2-CG2 3.67Å |
| 73 | M | 97.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | I | π-helix | trans | -75.3 | -49.8 | -172.5 | -71.7 | -161.8 | -64 | 0 | 0 | 113.4 | V69 M70 F77 G78 L245 P248 M252 A384 I388 | V69-M73 HydrophobicContact CG1-CE 3.2Å; V69-M73 HydrophobicContact CG1-SD 4.49Å; V69-M73 WeakPolarHBondContact O-CB 3.39Å; V69-M73 PolarHBondContact O-N 3.33Å; M70-M73 PolarHBondContact O-N 3.03Å; M73-F77 WeakPolarHBondContact O-CB 3.4Å; M73-G78 PolarHBondContact O-N 3.47Å; M73-G78 VanDerWaalsContact O-N 3.13Å; M73-L245 VanDerWaalsContact CE-C 3.5Å; M73-L245 WeakPolarHBondContact CE-O 3.44Å; M73-P248 HydrophobicContact CB-CB 4.08Å; M73-P248 HydrophobicContact CB-CG 4.44Å; M73-P248 HydrophobicContact SD-CB 4.23Å; M73-M252 HydrophobicContact CG-CE 3.92Å; M73-M252 HydrophobicContact SD-CE 3.85Å; M73-A384 HydrophobicContact CE-CB 4.04Å; M73-A384 HydrophobicContact SD-CB 4.36Å; M73-I388 HydrophobicContact CG-CD1 3.83Å; M73-I388 HydrophobicContact CG-CG1 3.58Å; M73-I388 HydrophobicContact SD-CD1 4.41Å; M73-I388 HydrophobicContact SD-CG1 4.15Å |
| 74 | I | 96.6 | Very high | 98 | Very high | 17 Ų | 17 | 5.9 Ų | 5.9 | 9% | 0.087 | 3% | 0.03 | C | C | . | . | I | π-helix | trans | -89.1 | -48.7 | -177.7 | -64.8 | -61.1 | 0 | 0 | 0 | 110.3 | M70 G78 F163 V187 T190 P248 | M70-I74 PolarHBondContact O-N 3.31Å; I74-G78 WeakPolarHBondContact O-CA 3.25Å; I74-G78 PolarHBondContact O-N 3.3Å; I74-F163 HydrophobicContact CG2-CD2 4.11Å; I74-F163 HydrophobicContact CG2-CE2 3.6Å; I74-F163 HydrophobicContact CG2-CZ 4.46Å; I74-F163 VanDerWaalsContact O-CZ 3.29Å; I74-F163 WeakPolarHBondContact O-CZ 3.34Å; I74-V187 HydrophobicContact CD1-CG1 4.41Å; I74-V187 HydrophobicContact CD1-CG2 4.41Å; I74-T190 HydrophobicContact CD1-CG2 3.52Å; I74-T190 HydrophobicContact CG1-CG2 3.95Å; I74-P248 HydrophobicContact CD1-CB 4.34Å; I74-P248 HydrophobicContact CD1-CG 3.45Å; I74-P248 VanDerWaalsContact CD1-CG 3.45Å; I74-P248 HydrophobicContact CG1-CG 4.21Å |
| 75 | G | 97.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 4.5 Ų | 4.5 | 4% | 0.041 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -67.5 | -48.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y18 M70 P71 N79 | Y18-G75 VanDerWaalsContact CB-C 3.41Å; Y18-G75 VanDerWaalsContact CD2-C 3.49Å; Y18-G75 VanDerWaalsContact CD2-O 3.23Å; Y18-G75 WeakPolarHBondContact CD2-O 3.48Å; Y18-G75 VanDerWaalsContact CG-C 3.43Å; Y18-G75 VanDerWaalsContact CG-CA 3.43Å; M70-G75 PolarHBondContact O-N 3.46Å; P71-G75 CarbonylContact O-C 3.57Å; P71-G75 VanDerWaalsContact O-C 3.28Å; P71-G75 WeakPolarHBondContact O-CA 3.42Å; P71-G75 PolarHBondContact O-N 3.42Å; P71-G75 VanDerWaalsContact O-N 3.13Å; G75-N79 WeakPolarHBondContact O-CB 3.38Å; G75-N79 PolarHBondContact O-ND2 3.49Å |
| 76 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.022 | C | C | . | . | I | π-helix | trans | -81.1 | -72.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G15 P71 I72 G78 N79 W80 | G15-G76 WeakPolarHBondContact O-CA 3.49Å; P71-G76 PolarHBondContact O-N 3.48Å; I72-G76 CarbonylContact O-C 3.6Å; I72-G76 VanDerWaalsContact O-CA 3.28Å; I72-G76 WeakPolarHBondContact O-CA 3.11Å; I72-G76 PolarHBondContact O-N 3.02Å; G76-G78 PolarHBondContact O-N 2.82Å; G76-N79 PolarHBondContact O-N 2.84Å; G76-W80 WeakPolarHBondContact O-CB 3.26Å; G76-W80 PolarHBondContact O-N 3.09Å |
| 77 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.022 | C | C | . | . | I | π-helix | trans | -62.5 | -41.5 | -179.8 | -72 | -72 | 0 | 0 | 0 | 112 | L19 I72 M73 W80 L81 F183 M252 I388 F392 W395 F399 | L19-F77 HydrophobicContact CD2-CE2 4.48Å; I72-F77 HydrophobicContact CG2-CD2 3.99Å; I72-F77 HydrophobicContact CG2-CE2 3.73Å; I72-F77 WeakPolarHBondContact O-CD2 3.36Å; I72-F77 PolarHBondContact O-N 2.73Å; M73-F77 WeakPolarHBondContact O-CB 3.4Å; F77-W80 PolarHBondContact O-N 3.06Å; F77-L81 HydrophobicContact CB-CD1 4.25Å; F77-L81 HydrophobicContact CD1-CD1 3.91Å; F77-L81 VanDerWaalsContact O-CB 3.24Å; F77-L81 WeakPolarHBondContact O-CB 3.33Å; F77-L81 WeakPolarHBondContact O-CG 3.41Å; F77-L81 PolarHBondContact O-N 2.96Å; F77-F183 HydrophobicContact CB-CE2 4.37Å; F77-F183 HydrophobicContact CB-CZ 3.76Å; F77-M252 HydrophobicContact CB-SD 4.48Å; F77-M252 HydrophobicContact CD1-SD 4.21Å; F77-M252 HydrophobicContact CD2-CE 4.38Å; F77-M252 HydrophobicContact CD2-SD 3.7Å; F77-M252 HydrophobicContact CE1-SD 4.39Å; F77-M252 HydrophobicContact CE2-SD 3.89Å; F77-M252 HydrophobicContact CG-SD 3.88Å; F77-M252 HydrophobicContact CZ-SD 4.24Å; F77-I388 HydrophobicContact CE2-CG2 4.44Å; F77-F392 HydrophobicContact CZ-CB 4.23Å; F77-W395 AromaticContact CD1-CE3 3.91Å; F77-W395 HydrophobicContact CD1-CE3 3.91Å; F77-W395 HydrophobicContact CD1-CZ3 4.39Å; F77-W395 AromaticContact CE1-CE3 3.71Å; F77-W395 HydrophobicContact CE1-CE3 3.71Å; F77-W395 HydrophobicContact CE1-CZ3 4.39Å; F77-F399 HydrophobicContact CD1-CE2 4.21Å; F77-F399 AromaticContact CD1-CZ 3.79Å; F77-F399 HydrophobicContact CD1-CZ 3.79Å; F77-F399 AromaticContact CE1-CE2 3.71Å; F77-F399 HydrophobicContact CE1-CE2 3.71Å; F77-F399 AromaticContact CE1-CZ 3.72Å; F77-F399 HydrophobicContact CE1-CZ 3.72Å |
| 78 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.022 | C | C | . | . | I | π-helix | trans | -57.5 | -53.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M73 I74 G76 W80 V82 F163 | M73-G78 PolarHBondContact O-N 3.47Å; M73-G78 VanDerWaalsContact O-N 3.13Å; I74-G78 WeakPolarHBondContact O-CA 3.25Å; I74-G78 PolarHBondContact O-N 3.3Å; G76-G78 PolarHBondContact O-N 2.82Å; G78-W80 PolarHBondContact O-N 3.26Å; G78-V82 VanDerWaalsContact O-CB 3.22Å; G78-V82 WeakPolarHBondContact O-CB 3.37Å; G78-V82 VanDerWaalsContact O-CG2 3.31Å; G78-V82 WeakPolarHBondContact O-CG2 3.48Å; G78-V82 PolarHBondContact O-N 2.99Å; G78-F163 VanDerWaalsContact C-CE1 3.46Å |
| 79 | N | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 179.9 | -79.2 | -67.5 | 0 | 0 | 0 | 113 | H11 G75 G76 P83 N97 | H11-N79 PolarHBondContact ND1-O 3.22Å; G75-N79 WeakPolarHBondContact O-CB 3.38Å; G75-N79 PolarHBondContact O-ND2 3.49Å; G76-N79 PolarHBondContact O-N 2.84Å; N79-P83 WeakPolarHBondContact O-CD 3.35Å; N79-N97 PolarHBondContact OD1-ND2 3.14Å; N79-N97 PolarHBondContact OD1-OD1 3.23Å |
| 80 | W | 98.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 7.2 Ų | 7.2 | 5% | 0.045 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.3 | -50.6 | 176.4 | -97.7 | 101.2 | 0 | 0 | 0 | 112.6 | K12 T16 G76 F77 G78 L84 F399 P499 | K12-W80 HydrophobicContact CB-CD2 4.21Å; K12-W80 HydrophobicContact CB-CE3 4.06Å; K12-W80 HydrophobicContact CB-CH2 3.73Å; K12-W80 HydrophobicContact CB-CZ2 3.86Å; K12-W80 HydrophobicContact CB-CZ3 3.83Å; K12-W80 HydrophobicContact CD-CH2 4.48Å; K12-W80 HydrophobicContact CD-CZ3 4.07Å; K12-W80 HydrophobicContact CG-CD2 4.41Å; K12-W80 HydrophobicContact CG-CE3 3.88Å; K12-W80 HydrophobicContact CG-CH2 4.16Å; K12-W80 HydrophobicContact CG-CZ3 3.74Å; K12-W80 PolarHBondContact O-NE1 3.41Å; K12-W80 VanDerWaalsContact O-NE1 3.17Å; T16-W80 VanDerWaalsContact OG1-CZ2 3.3Å; T16-W80 WeakPolarHBondContact OG1-CZ2 3.4Å; T16-W80 PolarHBondContact OG1-NE1 3.35Å; T16-W80 VanDerWaalsContact OG1-NE1 3.1Å; G76-W80 WeakPolarHBondContact O-CB 3.26Å; G76-W80 PolarHBondContact O-N 3.09Å; F77-W80 PolarHBondContact O-N 3.06Å; G78-W80 PolarHBondContact O-N 3.26Å; W80-L84 HydrophobicContact CE3-CD1 4.4Å; W80-L84 VanDerWaalsContact O-CD1 3.29Å; W80-L84 WeakPolarHBondContact O-CD1 3.37Å; W80-L84 VanDerWaalsContact O-CG 3.32Å; W80-L84 WeakPolarHBondContact O-CG 3.22Å; W80-F399 HydrophobicContact CB-CD1 4.46Å; W80-F399 HydrophobicContact CB-CE1 3.78Å; W80-F399 HydrophobicContact CB-CZ 4.42Å; W80-F399 AromaticContact CD2-CD1 3.58Å; W80-F399 HydrophobicContact CD2-CD1 3.58Å; W80-F399 AromaticContact CD2-CE1 3.82Å; W80-F399 HydrophobicContact CD2-CE1 3.82Å; W80-F399 AromaticContact CE2-CD1 3.89Å; W80-F399 AromaticContact CE3-CD1 3.75Å; W80-F399 HydrophobicContact CE3-CD1 3.75Å; W80-F399 HydrophobicContact CE3-CE1 4.07Å; W80-F399 AromaticContact CG-CD1 3.92Å; W80-F399 HydrophobicContact CG-CD1 3.92Å; W80-F399 AromaticContact CG-CE1 3.7Å; W80-F399 HydrophobicContact CG-CE1 3.7Å; W80-F399 HydrophobicContact CG-CZ 4.48Å; W80-F399 HydrophobicContact CH2-CD1 4.43Å; W80-F399 HydrophobicContact CZ2-CB 4.46Å; W80-F399 HydrophobicContact CZ2-CD1 4.31Å; W80-F399 HydrophobicContact CZ3-CD1 4.17Å; W80-P499 HydrophobicContact CZ3-CG 4.13Å |
| 81 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -95 | -32.3 | -163.4 | -59 | 176.8 | 0 | 0 | 0 | 113.2 | F77 L84 M85 F183 W395 L398 F399 | F77-L81 HydrophobicContact CB-CD1 4.25Å; F77-L81 HydrophobicContact CD1-CD1 3.91Å; F77-L81 VanDerWaalsContact O-CB 3.24Å; F77-L81 WeakPolarHBondContact O-CB 3.33Å; F77-L81 WeakPolarHBondContact O-CG 3.41Å; F77-L81 PolarHBondContact O-N 2.96Å; L81-L84 PolarHBondContact O-N 3.24Å; L81-M85 HydrophobicContact CB-CE 4.06Å; L81-M85 HydrophobicContact CB-CG 4.44Å; L81-M85 HydrophobicContact CB-SD 4.07Å; L81-M85 HydrophobicContact CD1-CE 4.04Å; L81-M85 HydrophobicContact CD2-CE 4.35Å; L81-M85 HydrophobicContact CG-CE 4.38Å; L81-M85 VanDerWaalsContact O-CB 3.24Å; L81-M85 WeakPolarHBondContact O-CB 3.17Å; L81-M85 VanDerWaalsContact O-CG 3.28Å; L81-M85 WeakPolarHBondContact O-CG 3.48Å; L81-M85 PolarHBondContact O-N 3.4Å; L81-F183 HydrophobicContact CB-CD1 4.07Å; L81-F183 HydrophobicContact CB-CE1 3.76Å; L81-F183 HydrophobicContact CD1-CD1 4.27Å; L81-F183 HydrophobicContact CD1-CE1 3.98Å; L81-F183 HydrophobicContact CD1-CZ 4.3Å; L81-F183 HydrophobicContact CG-CE1 4.45Å; L81-W395 HydrophobicContact CD1-CD2 3.71Å; L81-W395 HydrophobicContact CD1-CE3 3.83Å; L81-W395 HydrophobicContact CD1-CG 4.35Å; L81-W395 HydrophobicContact CD1-CH2 4.02Å; L81-W395 HydrophobicContact CD1-CZ2 3.87Å; L81-W395 HydrophobicContact CD1-CZ3 4Å; L81-W395 HydrophobicContact CD2-CD2 4.26Å; L81-W395 HydrophobicContact CD2-CG 4.08Å; L81-L398 HydrophobicContact CD2-CD2 3.72Å; L81-F399 HydrophobicContact CD2-CE1 4.22Å |
| 82 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60 | -53.4 | -174.5 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | G78 L84 M85 I86 F163 I167 F183 V187 | G78-V82 VanDerWaalsContact O-CB 3.22Å; G78-V82 WeakPolarHBondContact O-CB 3.37Å; G78-V82 VanDerWaalsContact O-CG2 3.31Å; G78-V82 WeakPolarHBondContact O-CG2 3.48Å; G78-V82 PolarHBondContact O-N 2.99Å; V82-L84 VanDerWaalsContact C-N 3.28Å; V82-L84 PolarHBondContact O-N 3.44Å; V82-M85 PolarHBondContact O-N 2.74Å; V82-I86 HydrophobicContact CG1-CD1 4.43Å; V82-I86 WeakPolarHBondContact O-CG1 3.22Å; V82-I86 PolarHBondContact O-N 3.31Å; V82-I86 VanDerWaalsContact O-N 3.12Å; V82-F163 HydrophobicContact CB-CD1 4.38Å; V82-F163 HydrophobicContact CB-CE1 4.25Å; V82-F163 HydrophobicContact CG1-CD1 4.37Å; V82-F163 HydrophobicContact CG2-CD1 4.22Å; V82-F163 HydrophobicContact CG2-CE1 4.13Å; V82-I167 HydrophobicContact CG1-CD1 3.99Å; V82-I167 HydrophobicContact CG1-CG1 3.53Å; V82-F183 HydrophobicContact CG2-CE1 4.28Å; V82-V187 HydrophobicContact CG2-CB 4.13Å; V82-V187 HydrophobicContact CG2-CG1 3.99Å; V82-V187 HydrophobicContact CG2-CG2 4.14Å |
| 83 | P | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60 | -40 | 177.5 | -26.4 | 38 | 0 | 0 | 0 | 112.3 | H11 N79 I86 G87 A88 M91 | H11-P83 HydrophobicContact CB-CG 4.24Å; N79-P83 WeakPolarHBondContact O-CD 3.35Å; P83-I86 PolarHBondContact O-N 3.24Å; P83-G87 PolarHBondContact O-N 2.83Å; P83-A88 HydrophobicContact CB-CB 4.28Å; P83-A88 PolarHBondContact O-N 3Å; P83-M91 HydrophobicContact CG-CG 4.02Å; P83-M91 HydrophobicContact CG-SD 3.51Å; P83-M91 VanDerWaalsContact CG-SD 3.51Å |
| 84 | L | 96.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 179.7 | -67.3 | -178.1 | 0 | 0 | 0 | 112.9 | W80 L81 V82 I86 G87 L398 L491 E492 P499 F504 | W80-L84 HydrophobicContact CE3-CD1 4.4Å; W80-L84 VanDerWaalsContact O-CD1 3.29Å; W80-L84 WeakPolarHBondContact O-CD1 3.37Å; W80-L84 VanDerWaalsContact O-CG 3.32Å; W80-L84 WeakPolarHBondContact O-CG 3.22Å; L81-L84 PolarHBondContact O-N 3.24Å; V82-L84 VanDerWaalsContact C-N 3.28Å; V82-L84 PolarHBondContact O-N 3.44Å; L84-I86 VanDerWaalsContact C-N 3.32Å; L84-I86 PolarHBondContact O-N 2.92Å; L84-G87 PolarHBondContact O-N 3.32Å; L84-L398 HydrophobicContact CD1-CD2 4.17Å; L84-L491 WeakPolarHBondContact O-CB 3.35Å; L84-E492 HydrophobicContact CB-CB 3.89Å; L84-E492 HydrophobicContact CD1-CB 4.35Å; L84-P499 HydrophobicContact CD1-CG 4.42Å; L84-F504 HydrophobicContact CD2-CE2 3.93Å |
| 85 | M | 95.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74.8 | -19.9 | -177.2 | -74.7 | -178.1 | 174.6 | 0 | 0 | 113.5 | L81 V82 P181 F183 V184 W395 E492 | L81-M85 HydrophobicContact CB-CE 4.06Å; L81-M85 HydrophobicContact CB-CG 4.44Å; L81-M85 HydrophobicContact CB-SD 4.07Å; L81-M85 HydrophobicContact CD1-CE 4.04Å; L81-M85 HydrophobicContact CD2-CE 4.35Å; L81-M85 HydrophobicContact CG-CE 4.38Å; L81-M85 VanDerWaalsContact O-CB 3.24Å; L81-M85 WeakPolarHBondContact O-CB 3.17Å; L81-M85 VanDerWaalsContact O-CG 3.28Å; L81-M85 WeakPolarHBondContact O-CG 3.48Å; L81-M85 PolarHBondContact O-N 3.4Å; V82-M85 PolarHBondContact O-N 2.74Å; M85-P181 HydrophobicContact CB-CG 4.21Å; M85-F183 HydrophobicContact CE-CD1 4.44Å; M85-F183 HydrophobicContact SD-CB 4.01Å; M85-F183 HydrophobicContact SD-CD1 3.76Å; M85-F183 HydrophobicContact SD-CG 4.29Å; M85-V184 HydrophobicContact CB-CG2 3.7Å; M85-V184 HydrophobicContact SD-CG2 4.29Å; M85-W395 HydrophobicContact CE-CZ2 3.73Å; M85-E492 HydrophobicContact CE-CG 4.24Å; M85-E492 HydrophobicContact CG-CB 4.25Å |
| 86 | I | 95.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -100.8 | -2.6 | 172.1 | 74.4 | -177.7 | 0 | 0 | 0 | 113 | V82 P83 L84 A88 T166 K171 P172 V184 | V82-I86 HydrophobicContact CG1-CD1 4.43Å; V82-I86 WeakPolarHBondContact O-CG1 3.22Å; V82-I86 PolarHBondContact O-N 3.31Å; V82-I86 VanDerWaalsContact O-N 3.12Å; P83-I86 PolarHBondContact O-N 3.24Å; L84-I86 VanDerWaalsContact C-N 3.32Å; L84-I86 PolarHBondContact O-N 2.92Å; I86-A88 HydrophobicContact CD1-CB 3.94Å; I86-A88 HydrophobicContact CG1-CB 3.72Å; I86-T166 HydrophobicContact CD1-CG2 4Å; I86-K171 HydrophobicContact CB-CG 4.21Å; I86-K171 HydrophobicContact CD1-CG 4.43Å; I86-K171 HydrophobicContact CG2-CG 4.48Å; I86-P172 WeakPolarHBondContact O-CD 3.47Å; I86-V184 HydrophobicContact CG2-CB 4.4Å; I86-V184 HydrophobicContact CG2-CG1 3.72Å; I86-V184 HydrophobicContact CG2-CG2 3.9Å |
| 87 | G | 93.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 28.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P83 L84 F504 | P83-G87 PolarHBondContact O-N 2.83Å; L84-G87 PolarHBondContact O-N 3.32Å; G87-F504 WeakPolarHBondContact O-CB 3.3Å; G87-F504 WeakPolarHBondContact O-CG 3.5Å |
| 88 | A | 94.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -90.5 | 145.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P83 I86 M170 F504 | P83-A88 HydrophobicContact CB-CB 4.28Å; P83-A88 PolarHBondContact O-N 3Å; I86-A88 HydrophobicContact CD1-CB 3.94Å; I86-A88 HydrophobicContact CG1-CB 3.72Å; A88-M170 HydrophobicContact CB-CB 4.01Å; A88-M170 HydrophobicContact CB-CE 4.44Å; A88-F504 WeakPolarHBondContact O-CD2 3.39Å | ||
| 89 | P | 94.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 30.7 Ų | 30.7 | 39% | 0.39 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -71.8 | -29.1 | -179.9 | 27.2 | -34.7 | 0 | 0 | 0 | 113.9 | T503 | P89-T503 VanDerWaalsContact CA-O 3.25Å; P89-T503 WeakPolarHBondContact CA-O 3.28Å; P89-T503 WeakPolarHBondContact CB-O 3.47Å |
| 90 | D | 96.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -161.9 | -174.7 | 176.4 | -148.9 | -27.2 | 0 | 0 | 0 | 109.7 | T9 H11 M170 | T9-D90 VanDerWaalsContact O-OD2 3.1Å; H11-D90 VanDerWaalsContact CB-OD1 3.26Å; H11-D90 WeakPolarHBondContact CB-OD1 3.23Å; H11-D90 IonicContact CD2-OD1 3.44Å; H11-D90 PolarHBondContact CD2-OD1 2.67Å; H11-D90 VanDerWaalsContact CD2-OD1 3.31Å; H11-D90 IonicContact CG-OD1 3.36Å; H11-D90 PolarHBondContact N-OD1 3.31Å; D90-M170 WeakPolarHBondContact O-CE 3.39Å |
| 91 | M | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | trans | -75.2 | 155.8 | 169.7 | -61.7 | -70.3 | -71.1 | 0 | 0 | 112 | H11 P83 F93 P94 N162 F163 T166 | H11-M91 HydrophobicContact CB-CG 3.8Å; P83-M91 HydrophobicContact CG-CG 4.02Å; P83-M91 HydrophobicContact CG-SD 3.51Å; P83-M91 VanDerWaalsContact CG-SD 3.51Å; M91-F93 VanDerWaalsContact C-N 3.35Å; M91-F93 PolarHBondContact O-N 3.35Å; M91-P94 WeakPolarHBondContact O-CD 3.4Å; M91-P94 WeakPolarHBondContact O-CG 3.41Å; M91-N162 HydrophobicContact CE-CB 4.3Å; M91-N162 WeakPolarHBondContact CE-ND2 3.44Å; M91-F163 HydrophobicContact CE-CD1 3.46Å; M91-F163 VanDerWaalsContact CE-CD1 3.46Å; M91-F163 HydrophobicContact CE-CE1 3.54Å; M91-F163 HydrophobicContact CE-CG 4.03Å; M91-F163 HydrophobicContact CE-CZ 4.2Å; M91-F163 HydrophobicContact SD-CD1 4.37Å; M91-F163 HydrophobicContact SD-CE1 4.17Å; M91-T166 HydrophobicContact SD-CG2 3.88Å | ||
| 92 | A | 98.1 | Very high | 97.2 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 26% | 0.256 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -63.6 | -36.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | P94 N162 T165 T166 M170 | A92-P94 WeakPolarHBondContact O-CD 3.46Å; A92-N162 PolarHBondContact N-OD1 3.48Å; A92-T165 HydrophobicContact CB-CG2 3.76Å; A92-T166 WeakPolarHBondContact CB-OG1 3.38Å; A92-T166 PolarHBondContact N-OG1 2.86Å; A92-M170 WeakPolarHBondContact CA-SD 3.12Å; A92-M170 HydrophobicContact CB-CG 4.48Å; A92-M170 HydrophobicContact CB-SD 3.62Å; A92-M170 PolarHBondContact N-SD 2.96Å |
| 93 | F | 98.4 | Very high | 97.2 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 36% | 0.36 | 18% | 0.176 | S | C | . | . | trans | -122.8 | 75.6 | 179.4 | -52.3 | -53.2 | 0 | 0 | 0 | 111.7 | M91 R95 M96 N97 I161 N162 T165 | M91-F93 VanDerWaalsContact C-N 3.35Å; M91-F93 PolarHBondContact O-N 3.35Å; F93-R95 VanDerWaalsContact C-N 3.34Å; F93-R95 PolarHBondContact O-N 2.95Å; F93-M96 HydrophobicContact CB-CB 3.68Å; F93-M96 HydrophobicContact CB-CE 4.48Å; F93-M96 HydrophobicContact CB-SD 4.29Å; F93-M96 HydrophobicContact CD2-CE 4.24Å; F93-M96 HydrophobicContact CD2-SD 4.11Å; F93-M96 HydrophobicContact CG-CE 4.41Å; F93-M96 WeakPolarHBondContact O-CB 3.47Å; F93-M96 PolarHBondContact O-N 3.31Å; F93-M96 VanDerWaalsContact O-N 3.14Å; F93-N97 PolarHBondContact O-N 3.1Å; F93-I161 HydrophobicContact CE2-CG2 4.16Å; F93-N162 HydrophobicContact CD2-CB 4.34Å; F93-N162 PolarHBondContact N-OD1 2.92Å; F93-N162 PolarHBondContact O-ND2 3.38Å; F93-T165 HydrophobicContact CE2-CG2 3.78Å; F93-T165 WeakPolarHBondContact CE2-OG1 3.42Å; F93-T165 HydrophobicContact CZ-CG2 3.78Å | ||
| 94 | P | 97.9 | Very high | 97.3 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 24% | 0.24 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -38.8 | -173.8 | -29.1 | 37.4 | 0 | 0 | 0 | 115 | T9 M91 A92 N97 N98 | T9-P94 HydrophobicContact CG2-CB 4.23Å; T9-P94 WeakPolarHBondContact O-CB 3.41Å; M91-P94 WeakPolarHBondContact O-CD 3.4Å; M91-P94 WeakPolarHBondContact O-CG 3.41Å; A92-P94 WeakPolarHBondContact O-CD 3.46Å; P94-N97 VanDerWaalsContact O-CB 3.25Å; P94-N97 WeakPolarHBondContact O-CB 3.43Å; P94-N97 PolarHBondContact O-N 3.39Å; P94-N98 PolarHBondContact O-N 3.48Å; P94-N98 VanDerWaalsContact O-N 3.1Å |
| 95 | R | 98.4 | Very high | 97.4 | Very high | 206 Ų | 206 | 38.3 Ų | 38.3 | 78% | 0.777 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -73.7 | -36.2 | 178.8 | -64.7 | -179.5 | -174.8 | 170.5 | 1.7 | 112.7 | T9 F93 N97 N98 M99 | T9-R95 HydrophobicContact CG2-CG 4.1Å; F93-R95 VanDerWaalsContact C-N 3.34Å; F93-R95 PolarHBondContact O-N 2.95Å; R95-N97 VanDerWaalsContact C-N 3.25Å; R95-N98 PolarHBondContact O-N 3.38Å; R95-M99 PolarHBondContact O-N 3.44Å |
| 96 | M | 98 | Very high | 97.5 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 28% | 0.281 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 173.2 | -175.9 | -175.2 | -67.3 | 0 | 0 | 110.2 | F93 M99 S100 L158 I161 | F93-M96 HydrophobicContact CB-CB 3.68Å; F93-M96 HydrophobicContact CB-CE 4.48Å; F93-M96 HydrophobicContact CB-SD 4.29Å; F93-M96 HydrophobicContact CD2-CE 4.24Å; F93-M96 HydrophobicContact CD2-SD 4.11Å; F93-M96 HydrophobicContact CG-CE 4.41Å; F93-M96 WeakPolarHBondContact O-CB 3.47Å; F93-M96 PolarHBondContact O-N 3.31Å; F93-M96 VanDerWaalsContact O-N 3.14Å; M96-M99 PolarHBondContact O-N 3.27Å; M96-S100 WeakPolarHBondContact O-CB 3.49Å; M96-S100 PolarHBondContact O-N 2.62Å; M96-L158 HydrophobicContact CE-CD2 4.45Å; M96-L158 HydrophobicContact CG-CB 3.86Å; M96-L158 HydrophobicContact CG-CD2 3.96Å; M96-L158 HydrophobicContact CG-CG 4.34Å; M96-L158 HydrophobicContact SD-CB 4.3Å; M96-L158 HydrophobicContact SD-CD2 4.04Å; M96-I161 HydrophobicContact SD-CB 4.48Å; M96-I161 HydrophobicContact SD-CG2 4.35Å |
| 97 | N | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 173.1 | -156 | 32 | 0 | 0 | 0 | 112.3 | I14 N79 F93 P94 R95 S100 F101 N162 | I14-N97 HydrophobicContact CD1-CB 4.05Å; N79-N97 PolarHBondContact OD1-ND2 3.14Å; N79-N97 PolarHBondContact OD1-OD1 3.23Å; F93-N97 PolarHBondContact O-N 3.1Å; P94-N97 VanDerWaalsContact O-CB 3.25Å; P94-N97 WeakPolarHBondContact O-CB 3.43Å; P94-N97 PolarHBondContact O-N 3.39Å; R95-N97 VanDerWaalsContact C-N 3.25Å; N97-S100 WeakPolarHBondContact O-CB 3.48Å; N97-S100 PolarHBondContact O-N 2.94Å; N97-F101 PolarHBondContact O-N 3.42Å; N97-N162 WeakPolarHBondContact CB-ND2 3.36Å |
| 98 | N | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.7 | -169.8 | 39 | 0 | 0 | 0 | 111.3 | L6 S8 I14 P94 R95 S100 F101 W102 | L6-N98 PolarHBondContact O-ND2 3.43Å; L6-N98 VanDerWaalsContact O-ND2 3.11Å; S8-N98 VanDerWaalsContact O-CB 3.29Å; S8-N98 WeakPolarHBondContact O-CB 3.26Å; S8-N98 VanDerWaalsContact O-CG 3.22Å; S8-N98 PolarHBondContact O-ND2 2.9Å; I14-N98 HydrophobicContact CD1-CB 3.91Å; P94-N98 PolarHBondContact O-N 3.48Å; P94-N98 VanDerWaalsContact O-N 3.1Å; R95-N98 PolarHBondContact O-N 3.38Å; N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.28Å; N98-F101 PolarHBondContact O-N 3.34Å; N98-W102 PolarHBondContact O-N 2.97Å; N98-W102 PolarHBondContact OD1-NE1 2.93Å |
| 99 | M | 98.1 | Very high | 98.1 | Very high | 104 Ų | 104 | 46.4 Ų | 46.4 | 51% | 0.512 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 176.4 | -177.9 | 176.7 | 177.4 | 0 | 0 | 112 | R95 M96 F101 W102 L103 L158 | R95-M99 PolarHBondContact O-N 3.44Å; M96-M99 PolarHBondContact O-N 3.27Å; M99-F101 VanDerWaalsContact C-N 3.31Å; M99-F101 PolarHBondContact O-N 3.32Å; M99-W102 PolarHBondContact O-N 3.48Å; M99-L103 HydrophobicContact CE-CD1 4.4Å; M99-L103 HydrophobicContact CG-CD1 4.38Å; M99-L103 WeakPolarHBondContact O-CG 3.25Å; M99-L103 PolarHBondContact O-N 3.14Å; M99-L158 HydrophobicContact CE-CD1 4.32Å; M99-L158 HydrophobicContact CG-CD1 4.17Å; M99-L158 HydrophobicContact SD-CD1 4.12Å |
| 100 | S | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.3 | -48.1 | 175.3 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | Y18 M96 N97 N98 S155 | Y18-S100 VanDerWaalsContact OH-C 3.24Å; Y18-S100 WeakPolarHBondContact OH-CB 3.34Å; Y18-S100 PolarHBondContact OH-OG 3.02Å; M96-S100 WeakPolarHBondContact O-CB 3.49Å; M96-S100 PolarHBondContact O-N 2.62Å; N97-S100 WeakPolarHBondContact O-CB 3.48Å; N97-S100 PolarHBondContact O-N 2.94Å; N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.28Å; S100-S155 VanDerWaalsContact O-CB 3.23Å; S100-S155 WeakPolarHBondContact O-CB 3.49Å; S100-S155 PolarHBondContact O-OG 3.47Å; S100-S155 PolarHBondContact OG-O 2.7Å; S100-S155 PolarHBondContact OG-OG 3.32Å |
| 101 | F | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -50.2 | 176.6 | 171.2 | -102.2 | 0 | 0 | 0 | 112.4 | I14 L17 Y18 F21 N97 N98 M99 L103 L104 P105 | I14-F101 HydrophobicContact CG2-CB 4.18Å; L17-F101 VanDerWaalsContact C-CE2 3.48Å; L17-F101 HydrophobicContact CB-CD1 4.1Å; L17-F101 HydrophobicContact CB-CD2 4Å; L17-F101 HydrophobicContact CB-CE1 3.77Å; L17-F101 HydrophobicContact CB-CE2 3.66Å; L17-F101 HydrophobicContact CB-CG 4.22Å; L17-F101 HydrophobicContact CB-CZ 3.55Å; L17-F101 HydrophobicContact CD1-CD1 3.93Å; L17-F101 HydrophobicContact CD1-CE1 3.81Å; L17-F101 HydrophobicContact CD1-CZ 4.44Å; L17-F101 HydrophobicContact CD2-CE1 4.47Å; L17-F101 HydrophobicContact CD2-CZ 4.5Å; L17-F101 HydrophobicContact CG-CE1 4.23Å; L17-F101 HydrophobicContact CG-CZ 4.38Å; L17-F101 WeakPolarHBondContact O-CE2 2.96Å; Y18-F101 AromaticContact CD1-CD2 3.86Å; Y18-F101 HydrophobicContact CD1-CD2 3.86Å; Y18-F101 HydrophobicContact CD2-CB 4.33Å; Y18-F101 HydrophobicContact CD2-CD2 4.11Å; Y18-F101 HydrophobicContact CE1-CB 4.27Å; Y18-F101 HydrophobicContact CE1-CD2 4.03Å; Y18-F101 HydrophobicContact CE2-CB 3.71Å; Y18-F101 HydrophobicContact CE2-CD2 4.25Å; Y18-F101 HydrophobicContact CE2-CG 4.43Å; Y18-F101 AromaticContact CG-CD2 3.91Å; Y18-F101 HydrophobicContact CG-CD2 3.91Å; Y18-F101 WeakPolarHBondContact OH-CA 3.32Å; Y18-F101 PolarHBondContact OH-N 3.34Å; F21-F101 HydrophobicContact CB-CE2 3.9Å; F21-F101 HydrophobicContact CB-CZ 4.44Å; F21-F101 HydrophobicContact CG-CE2 4.36Å; N97-F101 PolarHBondContact O-N 3.42Å; N98-F101 PolarHBondContact O-N 3.34Å; M99-F101 VanDerWaalsContact C-N 3.31Å; M99-F101 PolarHBondContact O-N 3.32Å; F101-L103 PolarHBondContact O-N 3.42Å; F101-L103 VanDerWaalsContact O-N 3.09Å; F101-L104 WeakPolarHBondContact O-CB 3.02Å; F101-L104 PolarHBondContact O-N 3.14Å; F101-P105 HydrophobicContact CZ-CG 4.37Å; F101-P105 WeakPolarHBondContact O-CD 3.42Å |
| 102 | W | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.5 | -10.7 | -172.1 | -78.4 | 110.9 | 0 | 0 | 0 | 114.9 | L6 N98 M99 P105 P106 | L6-W102 HydrophobicContact CD2-CH2 3.44Å; L6-W102 VanDerWaalsContact CD2-CH2 3.44Å; L6-W102 HydrophobicContact CD2-CZ2 3.46Å; L6-W102 VanDerWaalsContact CD2-CZ2 3.46Å; L6-W102 HydrophobicContact CD2-CZ3 4.5Å; L6-W102 PolarHBondContact O-NE1 3.48Å; N98-W102 PolarHBondContact O-N 2.97Å; N98-W102 PolarHBondContact OD1-NE1 2.93Å; M99-W102 PolarHBondContact O-N 3.48Å; W102-P105 HydrophobicContact CE3-CG 4.35Å; W102-P106 WeakPolarHBondContact O-CD 3.07Å; W102-P106 WeakPolarHBondContact O-CG 3.49Å |
| 103 | L | 98.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -21.2 | 170.1 | -70.1 | 170.3 | 0 | 0 | 0 | 113.1 | M99 F101 P106 S107 L151 V154 L158 | M99-L103 HydrophobicContact CE-CD1 4.4Å; M99-L103 HydrophobicContact CG-CD1 4.38Å; M99-L103 WeakPolarHBondContact O-CG 3.25Å; M99-L103 PolarHBondContact O-N 3.14Å; F101-L103 PolarHBondContact O-N 3.42Å; F101-L103 VanDerWaalsContact O-N 3.09Å; L103-P106 WeakPolarHBondContact O-CD 3.19Å; L103-P106 WeakPolarHBondContact O-CG 3.44Å; L103-S107 WeakPolarHBondContact O-CB 3.24Å; L103-S107 PolarHBondContact O-N 2.87Å; L103-L151 HydrophobicContact CD2-CD2 4.25Å; L103-V154 HydrophobicContact CD1-CB 4.22Å; L103-V154 HydrophobicContact CD1-CG1 3.68Å; L103-L158 HydrophobicContact CD1-CD1 4.11Å |
| 104 | L | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.1 | -44.1 | -178.2 | -66.6 | -178.6 | 0 | 0 | 0 | 114.5 | Y18 F21 P71 F101 S107 L108 A152 | Y18-L104 HydrophobicContact CD1-CD1 3.87Å; Y18-L104 HydrophobicContact CE1-CD1 3.46Å; Y18-L104 VanDerWaalsContact CE1-CD1 3.46Å; F21-L104 HydrophobicContact CD1-CB 4.45Å; F21-L104 HydrophobicContact CD1-CD1 4.28Å; F21-L104 HydrophobicContact CE1-CB 3.84Å; F21-L104 HydrophobicContact CE1-CD1 4.08Å; F21-L104 HydrophobicContact CE2-CB 4.47Å; F21-L104 HydrophobicContact CZ-CB 3.83Å; P71-L104 HydrophobicContact CB-CD1 4.13Å; P71-L104 HydrophobicContact CG-CD1 3.74Å; F101-L104 WeakPolarHBondContact O-CB 3.02Å; F101-L104 PolarHBondContact O-N 3.14Å; L104-S107 WeakPolarHBondContact O-CB 3.47Å; L104-S107 PolarHBondContact O-N 3.11Å; L104-L108 PolarHBondContact O-N 3.08Å; L104-A152 HydrophobicContact CD2-CB 4.34Å |
| 105 | P | 98.7 | Very high | 98.2 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 21% | 0.214 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -50.4 | 175.6 | -25 | 33.8 | 0 | 0 | 0 | 114.5 | F21 F101 W102 S107 L108 L109 | F21-P105 HydrophobicContact CD2-CG 4.36Å; F21-P105 HydrophobicContact CE2-CB 4.47Å; F21-P105 HydrophobicContact CE2-CG 4.25Å; F101-P105 HydrophobicContact CZ-CG 4.37Å; F101-P105 WeakPolarHBondContact O-CD 3.42Å; W102-P105 HydrophobicContact CE3-CG 4.35Å; P105-S107 VanDerWaalsContact C-N 3.3Å; P105-S107 PolarHBondContact O-N 3.14Å; P105-L108 PolarHBondContact O-N 2.99Å; P105-L109 WeakPolarHBondContact O-CG 3.38Å; P105-L109 PolarHBondContact O-N 3.3Å |
| 106 | P | 98.7 | Very high | 98 | Very high | 54 Ų | 54 | 40 Ų | 40 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.7 | -33.4 | 176.5 | 25.3 | -32.4 | 0 | 0 | 0 | 112.3 | W102 L103 L109 L110 L151 | W102-P106 WeakPolarHBondContact O-CD 3.07Å; W102-P106 WeakPolarHBondContact O-CG 3.49Å; L103-P106 WeakPolarHBondContact O-CD 3.19Å; L103-P106 WeakPolarHBondContact O-CG 3.44Å; P106-L109 PolarHBondContact O-N 3.39Å; P106-L110 WeakPolarHBondContact O-CG 3.29Å; P106-L110 PolarHBondContact O-N 3.4Å; P106-L151 HydrophobicContact CB-CD1 4.39Å; P106-L151 HydrophobicContact CG-CD1 4.47Å |
| 107 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 173 | 175 | 0 | 0 | 0 | 0 | 111.9 | F67 L103 L104 P105 L109 L110 L111 S148 A152 | F67-S107 VanDerWaalsContact CE1-OG 3.28Å; F67-S107 WeakPolarHBondContact CE1-OG 3.46Å; F67-S107 WeakPolarHBondContact CZ-OG 3.38Å; L103-S107 WeakPolarHBondContact O-CB 3.24Å; L103-S107 PolarHBondContact O-N 2.87Å; L104-S107 WeakPolarHBondContact O-CB 3.47Å; L104-S107 PolarHBondContact O-N 3.11Å; P105-S107 VanDerWaalsContact C-N 3.3Å; P105-S107 PolarHBondContact O-N 3.14Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.3Å; S107-L110 WeakPolarHBondContact O-CB 3.31Å; S107-L110 PolarHBondContact O-N 2.86Å; S107-L111 PolarHBondContact O-N 3.3Å; S107-S148 WeakPolarHBondContact O-CB 3.31Å; S107-S148 PolarHBondContact O-OG 3.07Å; S107-S148 VanDerWaalsContact O-OG 3.07Å; S107-S148 PolarHBondContact OG-O 3.27Å; S107-S148 PolarHBondContact OG-OG 3.04Å; S107-A152 PolarHBondContact OG-N 3.13Å |
| 108 | L | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 176.9 | -178.3 | 55.5 | 0 | 0 | 0 | 112.2 | F21 W24 A25 V63 F67 L104 P105 L110 L111 L112 | F21-L108 HydrophobicContact CE2-CB 4.27Å; F21-L108 HydrophobicContact CE2-CD2 3.69Å; F21-L108 HydrophobicContact CZ-CB 3.93Å; F21-L108 HydrophobicContact CZ-CD2 3.62Å; F21-L108 HydrophobicContact CZ-CG 4.43Å; W24-L108 HydrophobicContact CE3-CD2 4.07Å; W24-L108 HydrophobicContact CZ3-CD2 3.67Å; A25-L108 HydrophobicContact CB-CD2 4.29Å; V63-L108 HydrophobicContact CG2-CD1 4.21Å; F67-L108 HydrophobicContact CB-CD1 4.24Å; F67-L108 HydrophobicContact CD1-CB 3.74Å; F67-L108 HydrophobicContact CD1-CD1 4.11Å; F67-L108 HydrophobicContact CD1-CG 4.34Å; F67-L108 HydrophobicContact CD2-CD1 4.07Å; F67-L108 HydrophobicContact CE1-CB 3.72Å; F67-L108 HydrophobicContact CE1-CD1 4.47Å; F67-L108 HydrophobicContact CE2-CD1 4.47Å; F67-L108 HydrophobicContact CG-CB 4.37Å; F67-L108 HydrophobicContact CG-CD1 3.86Å; F67-L108 HydrophobicContact CZ-CB 4.38Å; L104-L108 PolarHBondContact O-N 3.08Å; P105-L108 PolarHBondContact O-N 2.99Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3.04Å; L108-L111 HydrophobicContact CD1-CD2 4.38Å; L108-L111 PolarHBondContact O-N 3.33Å; L108-L112 HydrophobicContact CD1-CD1 4.49Å; L108-L112 HydrophobicContact CD1-CG 4.28Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 HydrophobicContact CG-CG 4.5Å; L108-L112 WeakPolarHBondContact O-CG 3.4Å; L108-L112 PolarHBondContact O-N 3.14Å |
| 109 | L | 98.5 | Very high | 97.3 | Very high | 117 Ų | 117 | 47.6 Ų | 47.6 | 61% | 0.613 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.8 | -39.4 | 174.8 | -70.7 | 174.3 | 0 | 0 | 0 | 111.9 | P105 P106 S107 L112 A113 | P105-L109 WeakPolarHBondContact O-CG 3.38Å; P105-L109 PolarHBondContact O-N 3.3Å; P106-L109 PolarHBondContact O-N 3.39Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.3Å; L109-L112 PolarHBondContact O-N 2.92Å; L109-A113 VanDerWaalsContact O-CB 3.24Å; L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 3.33Å |
| 110 | L | 98.7 | Very high | 97.3 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.7 | -71.7 | 169.9 | 0 | 0 | 0 | 111.4 | P106 S107 L108 A113 S114 L144 F147 L151 | P106-L110 WeakPolarHBondContact O-CG 3.29Å; P106-L110 PolarHBondContact O-N 3.4Å; S107-L110 WeakPolarHBondContact O-CB 3.31Å; S107-L110 PolarHBondContact O-N 2.86Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3.04Å; L110-A113 PolarHBondContact O-N 2.75Å; L110-S114 WeakPolarHBondContact O-CB 3.23Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-L144 HydrophobicContact CD2-CD2 3.81Å; L110-F147 HydrophobicContact CD1-CB 3.97Å; L110-L151 HydrophobicContact CD1-CD1 3.67Å; L110-L151 HydrophobicContact CD1-CG 4.5Å |
| 111 | L | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.4 | -176.8 | 67.3 | 0 | 0 | 0 | 112 | F62 V63 F67 S107 L108 S114 A115 T145 | F62-L111 HydrophobicContact CB-CD1 4.09Å; F62-L111 HydrophobicContact CB-CD2 3.64Å; F62-L111 HydrophobicContact CD2-CD1 3.92Å; F62-L111 HydrophobicContact CG-CD1 4.3Å; V63-L111 HydrophobicContact CG2-CD2 3.8Å; F67-L111 HydrophobicContact CD2-CD2 3.96Å; F67-L111 HydrophobicContact CE2-CB 4.49Å; F67-L111 HydrophobicContact CE2-CD2 3.61Å; S107-L111 PolarHBondContact O-N 3.3Å; L108-L111 HydrophobicContact CD1-CD2 4.38Å; L108-L111 PolarHBondContact O-N 3.33Å; L111-S114 WeakPolarHBondContact O-CB 3.39Å; L111-S114 PolarHBondContact O-N 2.85Å; L111-S114 PolarHBondContact O-OG 3.42Å; L111-A115 PolarHBondContact O-N 3.5Å; L111-T145 HydrophobicContact CD1-CG2 4.19Å |
| 112 | L | 97.9 | Very high | 97.1 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -40.9 | 178.6 | -72.1 | 179.4 | 0 | 0 | 0 | 111.7 | W24 L28 L108 L109 S114 A115 M116 | W24-L112 HydrophobicContact CH2-CD1 4.37Å; L28-L112 HydrophobicContact CD2-CD1 4.18Å; L28-L112 HydrophobicContact CD2-CD2 3.86Å; L28-L112 HydrophobicContact CD2-CG 4.47Å; L108-L112 HydrophobicContact CD1-CD1 4.49Å; L108-L112 HydrophobicContact CD1-CG 4.28Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 HydrophobicContact CG-CG 4.5Å; L108-L112 WeakPolarHBondContact O-CG 3.4Å; L108-L112 PolarHBondContact O-N 3.14Å; L109-L112 PolarHBondContact O-N 2.92Å; L112-S114 PolarHBondContact O-N 3.39Å; L112-A115 PolarHBondContact O-N 3.04Å; L112-M116 WeakPolarHBondContact O-CE 3.38Å; L112-M116 WeakPolarHBondContact O-CG 3.28Å; L112-M116 PolarHBondContact O-N 3.48Å |
| 113 | A | 98 | Very high | 97.1 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 24% | 0.24 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L109 L110 A115 M116 V117 L144 | L109-A113 VanDerWaalsContact O-CB 3.24Å; L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 3.33Å; L110-A113 PolarHBondContact O-N 2.75Å; A113-A115 PolarHBondContact O-N 2.89Å; A113-M116 PolarHBondContact O-N 2.98Å; A113-V117 WeakPolarHBondContact O-CB 3.39Å; A113-V117 VanDerWaalsContact O-CG2 3.31Å; A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 3.45Å; A113-L144 HydrophobicContact CB-CD1 4.25Å |
| 114 | S | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -33 | 178.1 | 98.2 | 0 | 0 | 0 | 0 | 112.9 | L110 L111 L112 G120 S141 T145 | L110-S114 WeakPolarHBondContact O-CB 3.23Å; L110-S114 PolarHBondContact O-N 3.47Å; L111-S114 WeakPolarHBondContact O-CB 3.39Å; L111-S114 PolarHBondContact O-N 2.85Å; L111-S114 PolarHBondContact O-OG 3.42Å; L112-S114 PolarHBondContact O-N 3.39Å; S114-G120 VanDerWaalsContact O-CA 3.27Å; S114-G120 WeakPolarHBondContact O-CA 3.33Å; S114-S141 VanDerWaalsContact CB-O 3.3Å; S114-S141 WeakPolarHBondContact CB-O 3.31Å; S114-S141 VanDerWaalsContact O-CB 3.3Å; S114-S141 WeakPolarHBondContact O-CB 3.24Å; S114-T145 VanDerWaalsContact CB-OG1 3.28Å; S114-T145 WeakPolarHBondContact CB-OG1 3.48Å; S114-T145 PolarHBondContact OG-OG1 2.94Å |
| 115 | A | 94.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76.6 | -20.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V55 L111 L112 A113 | V55-A115 HydrophobicContact CG1-CB 3.83Å; L111-A115 PolarHBondContact O-N 3.5Å; L112-A115 PolarHBondContact O-N 3.04Å; A113-A115 PolarHBondContact O-N 2.89Å |
| 116 | M | 93.8 | Very high | 96.8 | Very high | 148 Ų | 148 | 36.9 Ų | 36.9 | 73% | 0.729 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -101.5 | -23.4 | -176.7 | -65.7 | -174 | -69.7 | 0 | 0 | 113.8 | L112 A113 | L112-M116 WeakPolarHBondContact O-CE 3.38Å; L112-M116 WeakPolarHBondContact O-CG 3.28Å; L112-M116 PolarHBondContact O-N 3.48Å; A113-M116 PolarHBondContact O-N 2.98Å |
| 117 | V | 95.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 34.4 Ų | 34.4 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -80.7 | 132 | 180 | 170.3 | 0 | 0 | 0 | 0 | 109.8 | A113 A119 G120 A140 L144 | A113-V117 WeakPolarHBondContact O-CB 3.39Å; A113-V117 VanDerWaalsContact O-CG2 3.31Å; A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 3.45Å; V117-A119 PolarHBondContact O-N 2.9Å; V117-G120 PolarHBondContact O-N 3.45Å; V117-A140 HydrophobicContact CG1-CB 4.42Å; V117-L144 HydrophobicContact CB-CD1 4.21Å; V117-L144 HydrophobicContact CG2-CD1 4.01Å |
| 118 | E | 93.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 36.5 Ų | 36.5 | 58% | 0.584 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | -121.9 | -179.1 | -60.4 | 164.2 | -171.7 | 0 | 0 | 111.8 | G139 A140 | E118-G139 VanDerWaalsContact CD-CA 3.45Å; E118-G139 VanDerWaalsContact OE1-CA 3.27Å; E118-G139 WeakPolarHBondContact OE1-CA 3.24Å; E118-G139 WeakPolarHBondContact OE2-CA 3.34Å; E118-G139 PolarHBondContact OE2-N 2.81Å; E118-A140 VanDerWaalsContact CD-N 3.26Å; E118-A140 PolarHBondContact OE1-N 3.37Å; E118-A140 PolarHBondContact OE2-N 3.29Å |
| 119 | A | 92.5 | Very high | 96.7 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 51% | 0.512 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -7.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H51 V55 V117 | H51-A119 PolarHBondContact CD2-O 2.83Å; H51-A119 WeakPolarHBondContact NE2-CB 3.45Å; H51-A119 PolarHBondContact NE2-O 2.75Å; V55-A119 WeakPolarHBondContact CG2-O 3.44Å; V117-A119 PolarHBondContact O-N 2.9Å |
| 120 | G | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | 81.2 | 166.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H51 S114 V117 G122 S141 | H51-G120 PolarHBondContact NE2-O 3.41Å; S114-G120 VanDerWaalsContact O-CA 3.27Å; S114-G120 WeakPolarHBondContact O-CA 3.33Å; V117-G120 PolarHBondContact O-N 3.45Å; G120-G122 PolarHBondContact O-N 3.24Å; G120-S141 VanDerWaalsContact C-CB 3.42Å; G120-S141 VanDerWaalsContact C-OG 3.28Å; G120-S141 PolarHBondContact O-OG 2.88Å; G120-S141 VanDerWaalsContact O-OG 3.13Å | ||
| 121 | A | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | trans | -86.9 | 93.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T58 T123 V142 T145 | T58-A121 WeakPolarHBondContact CB-O 3.47Å; T58-A121 WeakPolarHBondContact CG2-O 3.28Å; T58-A121 PolarHBondContact OG1-O 2.93Å; A121-T123 VanDerWaalsContact C-N 3.35Å; A121-T123 PolarHBondContact O-N 2.82Å; A121-V142 HydrophobicContact CB-CG2 4.41Å; A121-T145 WeakPolarHBondContact CB-OG1 3.36Å | ||
| 122 | G | 96.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | trans | -94.1 | 28.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G120 H137 | G120-G122 PolarHBondContact O-N 3.24Å; G122-H137 PolarHBondContact N-NE2 2.87Å | ||
| 123 | T | 97 | Very high | 96.4 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -87.2 | -7.4 | -168.7 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | A121 A132 V142 | A121-T123 VanDerWaalsContact C-N 3.35Å; A121-T123 PolarHBondContact O-N 2.82Å; T123-A132 HydrophobicContact CG2-CB 3.81Å; T123-V142 HydrophobicContact CG2-CG2 4.02Å |
| 124 | G | 96.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 161.1 | -159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T58 T126 V127 | T58-G124 WeakPolarHBondContact OG1-CA 3.22Å; T58-G124 PolarHBondContact OG1-N 2.72Å; G124-T126 PolarHBondContact O-N 3.01Å; G124-T126 VanDerWaalsContact O-N 3.09Å; G124-V127 PolarHBondContact O-N 3.28Å |
| 125 | W | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.6 | -176.7 | 82.8 | -82.1 | 0 | 0 | 0 | 114.5 | A61 F62 I65 F234 W235 | A61-W125 HydrophobicContact CB-CB 3.58Å; A61-W125 HydrophobicContact CB-CG 4.04Å; F62-W125 HydrophobicContact CD1-CB 4.49Å; F62-W125 HydrophobicContact CE1-CB 4.17Å; F62-W125 WeakPolarHBondContact CE1-O 3.27Å; F62-W125 HydrophobicContact CE2-CB 4.49Å; F62-W125 HydrophobicContact CZ-CB 4.18Å; F62-W125 WeakPolarHBondContact CZ-O 3.44Å; I65-W125 HydrophobicContact CD1-CE3 4.2Å; I65-W125 HydrophobicContact CD1-CZ3 4.26Å; W125-F234 HydrophobicContact CD2-CZ 4.34Å; W125-F234 HydrophobicContact CE3-CE1 4.45Å; W125-F234 AromaticContact CE3-CZ 3.75Å; W125-F234 HydrophobicContact CE3-CZ 3.75Å; W125-F234 AromaticContact CH2-CE1 3.93Å; W125-F234 HydrophobicContact CH2-CE1 3.93Å; W125-F234 AromaticContact CH2-CZ 3.97Å; W125-F234 HydrophobicContact CH2-CZ 3.97Å; W125-F234 HydrophobicContact CZ2-CE1 4.33Å; W125-F234 HydrophobicContact CZ3-CE1 4.01Å; W125-F234 AromaticContact CZ3-CZ 3.55Å; W125-F234 HydrophobicContact CZ3-CZ 3.55Å; W125-W235 HydrophobicContact CH2-CH2 4.35Å; W125-W235 HydrophobicContact CH2-CZ3 4.07Å; W125-W235 AromaticContact CZ2-CH2 3.77Å; W125-W235 HydrophobicContact CZ2-CH2 3.77Å; W125-W235 AromaticContact CZ2-CZ3 3.92Å; W125-W235 HydrophobicContact CZ2-CZ3 3.92Å |
| 126 | T | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.3 | 176.5 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | G124 Y128 Y230 F234 W235 | G124-T126 PolarHBondContact O-N 3.01Å; G124-T126 VanDerWaalsContact O-N 3.09Å; T126-Y128 VanDerWaalsContact C-N 3.33Å; T126-Y128 VanDerWaalsContact CB-CE1 3.5Å; T126-Y128 HydrophobicContact CG2-CE1 4.27Å; T126-Y128 PolarHBondContact O-N 3.38Å; T126-Y230 WeakPolarHBondContact O-CE1 3.18Å; T126-Y230 PolarHBondContact O-OH 3.4Å; T126-F234 HydrophobicContact CG2-CD1 4.33Å; T126-F234 HydrophobicContact CG2-CE1 3.71Å; T126-F234 HydrophobicContact CG2-CZ 4.09Å; T126-W235 HydrophobicContact CG2-CH2 4.15Å; T126-W235 HydrophobicContact CG2-CZ2 3.96Å |
| 127 | V | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 45.7 | 175 | -159.1 | 0 | 0 | 0 | 0 | 112.5 | F62 G124 A132 V142 L208 Y230 | F62-V127 HydrophobicContact CE2-CG2 4.2Å; F62-V127 HydrophobicContact CZ-CG2 3.64Å; G124-V127 PolarHBondContact O-N 3.28Å; V127-A132 HydrophobicContact CG1-CB 3.63Å; V127-A132 WeakPolarHBondContact O-CB 3.44Å; V127-V142 HydrophobicContact CG1-CG1 4.08Å; V127-L208 HydrophobicContact CG1-CD2 3.84Å; V127-Y230 PolarHBondContact O-OH 3.44Å |
| 128 | Y | 98.1 | Very high | 95.9 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | trans | -70.8 | 130.5 | -175.5 | -70.1 | -22 | 0 | 0 | 0 | 113 | T126 L131 A132 Y230 Q231 F234 W235 | T126-Y128 VanDerWaalsContact C-N 3.33Å; T126-Y128 VanDerWaalsContact CB-CE1 3.5Å; T126-Y128 HydrophobicContact CG2-CE1 4.27Å; T126-Y128 PolarHBondContact O-N 3.38Å; Y128-L131 WeakPolarHBondContact O-CB 3.37Å; Y128-L131 PolarHBondContact O-N 3.25Å; Y128-A132 WeakPolarHBondContact O-CB 3.35Å; Y128-A132 PolarHBondContact O-N 2.89Å; Y128-Y230 AromaticContact CD1-CD1 3.59Å; Y128-Y230 HydrophobicContact CD1-CD1 3.59Å; Y128-Y230 AromaticContact CD1-CE1 3.61Å; Y128-Y230 HydrophobicContact CD1-CE1 3.61Å; Y128-Y230 HydrophobicContact CE1-CD1 4.11Å; Y128-Y230 HydrophobicContact CE1-CE1 4.12Å; Y128-Q231 HydrophobicContact CD1-CG 4.2Å; Y128-Q231 HydrophobicContact CE1-CB 4.46Å; Y128-Q231 HydrophobicContact CE1-CG 3.82Å; Y128-Q231 HydrophobicContact CE2-CG 4.29Å; Y128-F234 HydrophobicContact CE1-CD1 4.47Å; Y128-W235 AromaticContact CZ-NE1 3.95Å; Y128-W235 WeakPolarHBondContact OH-CZ2 3.44Å; Y128-W235 PolarHBondContact OH-NE1 2.84Å | ||
| 129 | P | 97.1 | Very high | 96 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 153.6 | 157.3 | 29.5 | -31.2 | 0 | 0 | 0 | 110.2 | L131 L208 F219 Y230 | P129-L131 VanDerWaalsContact C-N 3.34Å; P129-L208 HydrophobicContact CB-CD1 4.09Å; P129-L208 HydrophobicContact CG-CD1 4.38Å; P129-F219 HydrophobicContact CB-CB 3.88Å; P129-F219 HydrophobicContact CG-CB 3.56Å; P129-F219 HydrophobicContact CG-CD2 4Å; P129-F219 HydrophobicContact CG-CG 3.81Å; P129-Y230 VanDerWaalsContact CD-CG 3.41Å; P129-Y230 HydrophobicContact CG-CD1 4.44Å; P129-Y230 HydrophobicContact CG-CD2 4.15Å; P129-Y230 HydrophobicContact CG-CG 3.84Å |
| 130 | P | 96.8 | Very high | 96.2 | Very high | 91 Ų | 91 | 38.7 Ų | 38.7 | 59% | 0.591 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -80.3 | -7.7 | 1.3 | 33.4 | -36.3 | 0 | 0 | 0 | 113.9 | A132 G133 | P130-A132 VanDerWaalsContact C-N 3.28Å; P130-A132 PolarHBondContact O-N 3.39Å; P130-G133 WeakPolarHBondContact O-CA 3.21Å; P130-G133 PolarHBondContact O-N 3.25Å |
| 131 | L | 97.5 | Very high | 96.3 | Very high | 80 Ų | 80 | 38.8 Ų | 38.8 | 42% | 0.419 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38.9 | -178.9 | -179.2 | 65.5 | 0 | 0 | 0 | 111.9 | Y128 P129 G133 S136 H137 | Y128-L131 WeakPolarHBondContact O-CB 3.37Å; Y128-L131 PolarHBondContact O-N 3.25Å; P129-L131 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.43Å; L131-S136 WeakPolarHBondContact O-CB 3.21Å; L131-H137 PolarHBondContact O-ND1 2.91Å |
| 132 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 1.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T123 V127 Y128 P130 V142 L208 R212 | T123-A132 HydrophobicContact CG2-CB 3.81Å; V127-A132 HydrophobicContact CG1-CB 3.63Å; V127-A132 WeakPolarHBondContact O-CB 3.44Å; Y128-A132 WeakPolarHBondContact O-CB 3.35Å; Y128-A132 PolarHBondContact O-N 2.89Å; P130-A132 VanDerWaalsContact C-N 3.28Å; P130-A132 PolarHBondContact O-N 3.39Å; A132-V142 HydrophobicContact CB-CG1 4.3Å; A132-L208 HydrophobicContact CB-CD1 4.44Å; A132-L208 HydrophobicContact CB-CD2 3.9Å; A132-R212 WeakPolarHBondContact O-CD 3.1Å; A132-R212 PolarHBondContact O-NH1 3.4Å |
| 133 | G | 96.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -84.9 | 170.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P130 L131 Y135 S136 H137 R212 | P130-G133 WeakPolarHBondContact O-CA 3.21Å; P130-G133 PolarHBondContact O-N 3.25Å; L131-G133 PolarHBondContact O-N 3.43Å; G133-Y135 VanDerWaalsContact C-N 3.27Å; G133-Y135 PolarHBondContact O-N 3.49Å; G133-S136 PolarHBondContact O-N 2.97Å; G133-H137 PolarHBondContact O-N 3.36Å; G133-R212 VanDerWaalsContact C-NH1 3.32Å; G133-R212 PolarHBondContact O-NH1 3.18Å |
| 134 | N | 93.9 | Very high | 96.5 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25 | -175.8 | -80.1 | -9.8 | 0 | 0 | 0 | 114.7 | S136 P138 R212 | N134-S136 PolarHBondContact O-N 3.42Å; N134-P138 VanDerWaalsContact O-CA 3.23Å; N134-P138 WeakPolarHBondContact O-CA 3.29Å; N134-P138 WeakPolarHBondContact O-CB 3.28Å; N134-R212 PolarHBondContact ND2-O 2.91Å; N134-R212 PolarHBondContact OD1-NH1 2.91Å; N134-R212 PolarHBondContact OD1-NH2 3.19Å; N134-R212 VanDerWaalsContact OD1-NH2 3.11Å |
| 135 | Y | 92.1 | Very high | 96.6 | Very high | 218 Ų | 218 | 40.5 Ų | 40.5 | 86% | 0.855 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.4 | 175.9 | -73.2 | -71.9 | 0 | 0 | 0 | 112.8 | G133 | G133-Y135 VanDerWaalsContact C-N 3.27Å; G133-Y135 PolarHBondContact O-N 3.49Å |
| 136 | S | 95 | Very high | 96.6 | Very high | 65 Ų | 65 | 39 Ų | 39 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -36.2 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | L131 G133 N134 | L131-S136 WeakPolarHBondContact O-CB 3.21Å; G133-S136 PolarHBondContact O-N 2.97Å; N134-S136 PolarHBondContact O-N 3.42Å |
| 137 | H | 96.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 6% | 0.06 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -128.2 | 83.2 | 177.3 | -73.3 | 78.7 | 0 | 0 | 0 | 109.7 | H51 G122 L131 G133 G139 V142 R212 | H51-H137 AromaticContact CE1-NE2 3.48Å; H51-H137 PolarHBondContact CE1-NE2 2.98Å; G122-H137 PolarHBondContact N-NE2 2.87Å; L131-H137 PolarHBondContact O-ND1 2.91Å; G133-H137 PolarHBondContact O-N 3.36Å; H137-G139 VanDerWaalsContact C-N 3.34Å; H137-G139 PolarHBondContact O-N 3.2Å; H137-V142 HydrophobicContact CB-CG2 3.7Å; H137-R212 PolarHBondContact O-NH1 3.18Å; H137-R212 PolarHBondContact O-NH2 3.41Å |
| 138 | P | 91.3 | Very high | 96.8 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 68% | 0.682 | 24% | 0.239 | S | C | * | . | trans | -74.7 | -8 | -166.1 | 26.3 | -35.1 | 0 | 0 | 0 | 116.8 | N134 | N134-P138 VanDerWaalsContact O-CA 3.23Å; N134-P138 WeakPolarHBondContact O-CA 3.29Å; N134-P138 WeakPolarHBondContact O-CB 3.28Å | ||
| 139 | G | 93.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -132.2 | -162.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E118 H137 S141 R212 | E118-G139 VanDerWaalsContact CD-CA 3.45Å; E118-G139 VanDerWaalsContact OE1-CA 3.27Å; E118-G139 WeakPolarHBondContact OE1-CA 3.24Å; E118-G139 WeakPolarHBondContact OE2-CA 3.34Å; E118-G139 PolarHBondContact OE2-N 2.81Å; H137-G139 VanDerWaalsContact C-N 3.34Å; H137-G139 PolarHBondContact O-N 3.2Å; G139-S141 PolarHBondContact O-N 3.42Å; G139-S141 VanDerWaalsContact O-N 3.08Å; G139-R212 PolarHBondContact O-NH2 2.9Å |
| 140 | A | 97.1 | Very high | 96.9 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 31% | 0.306 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.9 | -151.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V117 E118 V142 D143 L144 | V117-A140 HydrophobicContact CG1-CB 4.42Å; E118-A140 VanDerWaalsContact CD-N 3.26Å; E118-A140 PolarHBondContact OE1-N 3.37Å; E118-A140 PolarHBondContact OE2-N 3.29Å; A140-V142 PolarHBondContact O-N 3.05Å; A140-D143 PolarHBondContact O-N 3.18Å; A140-L144 WeakPolarHBondContact O-CG 3.24Å; A140-L144 PolarHBondContact O-N 2.96Å |
| 141 | S | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | -176.4 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | S114 G120 G139 T145 | S114-S141 VanDerWaalsContact CB-O 3.3Å; S114-S141 WeakPolarHBondContact CB-O 3.31Å; S114-S141 VanDerWaalsContact O-CB 3.3Å; S114-S141 WeakPolarHBondContact O-CB 3.24Å; G120-S141 VanDerWaalsContact C-CB 3.42Å; G120-S141 VanDerWaalsContact C-OG 3.28Å; G120-S141 PolarHBondContact O-OG 2.88Å; G120-S141 VanDerWaalsContact O-OG 3.13Å; G139-S141 PolarHBondContact O-N 3.42Å; G139-S141 VanDerWaalsContact O-N 3.08Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 3.35Å |
| 142 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.9 | -36.9 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | A121 T123 V127 A132 H137 A140 T145 I146 | A121-V142 HydrophobicContact CB-CG2 4.41Å; T123-V142 HydrophobicContact CG2-CG2 4.02Å; V127-V142 HydrophobicContact CG1-CG1 4.08Å; A132-V142 HydrophobicContact CB-CG1 4.3Å; H137-V142 HydrophobicContact CB-CG2 3.7Å; A140-V142 PolarHBondContact O-N 3.05Å; V142-T145 WeakPolarHBondContact O-CB 3.43Å; V142-T145 PolarHBondContact O-N 3.47Å; V142-I146 HydrophobicContact CG1-CD1 4.05Å; V142-I146 HydrophobicContact CG1-CG1 4.48Å; V142-I146 WeakPolarHBondContact O-CG1 3.22Å; V142-I146 PolarHBondContact O-N 3.4Å |
| 143 | D | 98.5 | Very high | 97 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 179.9 | -53.1 | -39.8 | 0 | 0 | 0 | 111.5 | A140 T145 I146 F147 L209 R212 N213 | A140-D143 PolarHBondContact O-N 3.18Å; D143-T145 VanDerWaalsContact C-N 3.28Å; D143-T145 PolarHBondContact O-N 2.66Å; D143-I146 WeakPolarHBondContact O-CB 3.23Å; D143-I146 PolarHBondContact O-N 3.33Å; D143-I146 VanDerWaalsContact O-N 3.16Å; D143-F147 HydrophobicContact CB-CE2 4.42Å; D143-F147 WeakPolarHBondContact O-CD2 3.31Å; D143-F147 PolarHBondContact O-N 3.07Å; D143-L209 HydrophobicContact CB-CD1 3.9Å; D143-L209 WeakPolarHBondContact OD1-CD1 3.33Å; D143-R212 IonicContact OD1-CZ 3.35Å; D143-R212 IonicContact OD1-NE 3.34Å; D143-R212 PolarHBondContact OD1-NE 3.08Å; D143-R212 IonicContact OD1-NH2 2.98Å; D143-R212 IonicContact OD2-NH2 2.82Å; D143-N213 PolarHBondContact OD1-ND2 3.04Å |
| 144 | L | 98.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 18% | 0.183 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 173.6 | -69.5 | 175.6 | 0 | 0 | 0 | 112 | L110 A113 V117 A140 F147 S148 | L110-L144 HydrophobicContact CD2-CD2 3.81Å; A113-L144 HydrophobicContact CB-CD1 4.25Å; V117-L144 HydrophobicContact CB-CD1 4.21Å; V117-L144 HydrophobicContact CG2-CD1 4.01Å; A140-L144 WeakPolarHBondContact O-CG 3.24Å; A140-L144 PolarHBondContact O-N 2.96Å; L144-F147 PolarHBondContact O-N 3.24Å; L144-S148 WeakPolarHBondContact O-CB 3.38Å; L144-S148 PolarHBondContact O-N 3.24Å |
| 145 | T | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 173.9 | -56 | 0 | 0 | 0 | 0 | 110.8 | F62 L111 S114 A121 S141 V142 D143 S148 L149 | F62-T145 HydrophobicContact CD2-CG2 4.19Å; F62-T145 HydrophobicContact CE2-CG2 3.62Å; F62-T145 HydrophobicContact CZ-CG2 4.18Å; L111-T145 HydrophobicContact CD1-CG2 4.19Å; S114-T145 VanDerWaalsContact CB-OG1 3.28Å; S114-T145 WeakPolarHBondContact CB-OG1 3.48Å; S114-T145 PolarHBondContact OG-OG1 2.94Å; A121-T145 WeakPolarHBondContact CB-OG1 3.36Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 3.35Å; V142-T145 WeakPolarHBondContact O-CB 3.43Å; V142-T145 PolarHBondContact O-N 3.47Å; D143-T145 VanDerWaalsContact C-N 3.28Å; D143-T145 PolarHBondContact O-N 2.66Å; T145-S148 WeakPolarHBondContact O-CB 3.48Å; T145-S148 PolarHBondContact O-N 2.72Å; T145-L149 WeakPolarHBondContact O-CG 3.44Å; T145-L149 PolarHBondContact O-N 3.13Å |
| 146 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 175.8 | -68.9 | 167.9 | 0 | 0 | 0 | 111 | V142 D143 S148 L149 H150 I205 L208 L209 | V142-I146 HydrophobicContact CG1-CD1 4.05Å; V142-I146 HydrophobicContact CG1-CG1 4.48Å; V142-I146 WeakPolarHBondContact O-CG1 3.22Å; V142-I146 PolarHBondContact O-N 3.4Å; D143-I146 WeakPolarHBondContact O-CB 3.23Å; D143-I146 PolarHBondContact O-N 3.33Å; D143-I146 VanDerWaalsContact O-N 3.16Å; I146-S148 VanDerWaalsContact C-N 3.35Å; I146-S148 PolarHBondContact O-N 2.78Å; I146-L149 PolarHBondContact O-N 2.79Å; I146-H150 WeakPolarHBondContact CG2-CE1 2.86Å; I146-H150 WeakPolarHBondContact CG2-ND1 3.35Å; I146-H150 PolarHBondContact O-N 3.36Å; I146-H150 PolarHBondContact O-ND1 3.39Å; I146-I205 HydrophobicContact CG1-CB 4.35Å; I146-I205 HydrophobicContact CG2-CB 4.07Å; I146-I205 HydrophobicContact CG2-CD1 4.22Å; I146-I205 HydrophobicContact CG2-CG1 4.14Å; I146-L208 HydrophobicContact CD1-CD2 4.17Å; I146-L208 HydrophobicContact CD1-CG 4.22Å; I146-L209 HydrophobicContact CB-CD1 4.48Å; I146-L209 HydrophobicContact CD1-CB 4.15Å; I146-L209 HydrophobicContact CD1-CD1 4.11Å; I146-L209 HydrophobicContact CG2-CB 4.22Å; I146-L209 HydrophobicContact CG2-CD1 4.33Å; I146-L209 HydrophobicContact CG2-CD2 4.33Å |
| 147 | F | 98.8 | Very high | 97.9 | Very high | 100 Ų | 100 | 27.5 Ų | 27.5 | 44% | 0.439 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 177 | -71.3 | -54.6 | 0 | 0 | 0 | 112.7 | L110 D143 L144 H150 L151 L209 | L110-F147 HydrophobicContact CD1-CB 3.97Å; D143-F147 HydrophobicContact CB-CE2 4.42Å; D143-F147 WeakPolarHBondContact O-CD2 3.31Å; D143-F147 PolarHBondContact O-N 3.07Å; L144-F147 PolarHBondContact O-N 3.24Å; F147-H150 PolarHBondContact O-N 2.92Å; F147-L151 PolarHBondContact O-N 3.13Å; F147-L151 VanDerWaalsContact O-N 3.07Å; F147-L209 HydrophobicContact CE1-CD2 3.91Å; F147-L209 HydrophobicContact CZ-CD2 3.93Å |
| 148 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.7 | -52.9 | 171.2 | 163.4 | 0 | 0 | 0 | 0 | 110.9 | S107 L144 T145 I146 H150 L151 A152 | S107-S148 WeakPolarHBondContact O-CB 3.31Å; S107-S148 PolarHBondContact O-OG 3.07Å; S107-S148 VanDerWaalsContact O-OG 3.07Å; S107-S148 PolarHBondContact OG-O 3.27Å; S107-S148 PolarHBondContact OG-OG 3.04Å; L144-S148 WeakPolarHBondContact O-CB 3.38Å; L144-S148 PolarHBondContact O-N 3.24Å; T145-S148 WeakPolarHBondContact O-CB 3.48Å; T145-S148 PolarHBondContact O-N 2.72Å; I146-S148 VanDerWaalsContact C-N 3.35Å; I146-S148 PolarHBondContact O-N 2.78Å; S148-H150 VanDerWaalsContact C-N 3.33Å; S148-H150 PolarHBondContact O-N 3.4Å; S148-L151 PolarHBondContact O-N 2.95Å; S148-A152 PolarHBondContact O-N 3.23Å |
| 149 | L | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | -178.9 | -66.7 | 177.2 | 0 | 0 | 0 | 112.8 | F62 F66 T145 I146 G153 I205 | F62-L149 HydrophobicContact CD1-CD2 3.79Å; F62-L149 HydrophobicContact CE1-CD1 3.76Å; F62-L149 HydrophobicContact CE1-CD2 3.78Å; F62-L149 HydrophobicContact CE1-CG 4.3Å; F62-L149 HydrophobicContact CZ-CD1 3.88Å; F66-L149 HydrophobicContact CD1-CD2 4.36Å; F66-L149 HydrophobicContact CD2-CD2 4.1Å; F66-L149 HydrophobicContact CE1-CD2 4.38Å; F66-L149 HydrophobicContact CE2-CD2 4.09Å; F66-L149 HydrophobicContact CG-CD2 4.26Å; F66-L149 HydrophobicContact CZ-CD2 4.25Å; T145-L149 WeakPolarHBondContact O-CG 3.44Å; T145-L149 PolarHBondContact O-N 3.13Å; I146-L149 PolarHBondContact O-N 2.79Å; L149-G153 PolarHBondContact O-N 3.12Å; L149-I205 HydrophobicContact CB-CD1 3.82Å |
| 150 | H | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 23 Ų | 23 | 21% | 0.208 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 172.3 | -79.5 | 102.3 | 0 | 0 | 0 | 112.2 | I146 F147 S148 A152 G153 V154 I205 T206 | I146-H150 WeakPolarHBondContact CG2-CE1 2.86Å; I146-H150 WeakPolarHBondContact CG2-ND1 3.35Å; I146-H150 PolarHBondContact O-N 3.36Å; I146-H150 PolarHBondContact O-ND1 3.39Å; F147-H150 PolarHBondContact O-N 2.92Å; S148-H150 VanDerWaalsContact C-N 3.33Å; S148-H150 PolarHBondContact O-N 3.4Å; H150-A152 PolarHBondContact O-N 2.85Å; H150-G153 PolarHBondContact O-N 3.43Å; H150-V154 WeakPolarHBondContact O-CG2 3.28Å; H150-V154 PolarHBondContact O-N 3.49Å; H150-I205 VanDerWaalsContact CE1-CG1 3.47Å; H150-I205 WeakPolarHBondContact CE1-CG1 3.38Å; H150-T206 PolarHBondContact NE2-OG1 2.81Å |
| 151 | L | 98.7 | Very high | 98.6 | Very high | 53 Ų | 53 | 24 Ų | 24 | 28% | 0.277 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 179.9 | -70.2 | -173.8 | 0 | 0 | 0 | 112 | L103 P106 L110 F147 S148 G153 V154 S155 | L103-L151 HydrophobicContact CD2-CD2 4.25Å; P106-L151 HydrophobicContact CB-CD1 4.39Å; P106-L151 HydrophobicContact CG-CD1 4.47Å; L110-L151 HydrophobicContact CD1-CD1 3.67Å; L110-L151 HydrophobicContact CD1-CG 4.5Å; F147-L151 PolarHBondContact O-N 3.13Å; F147-L151 VanDerWaalsContact O-N 3.07Å; S148-L151 PolarHBondContact O-N 2.95Å; L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 3.46Å; L151-V154 PolarHBondContact O-N 3.02Å; L151-S155 PolarHBondContact O-N 2.63Å |
| 152 | A | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F67 L104 S107 S148 H150 S155 S156 | F67-A152 HydrophobicContact CZ-CB 4.41Å; L104-A152 HydrophobicContact CD2-CB 4.34Å; S107-A152 PolarHBondContact OG-N 3.13Å; S148-A152 PolarHBondContact O-N 3.23Å; H150-A152 PolarHBondContact O-N 2.85Å; A152-S155 WeakPolarHBondContact O-CB 3.32Å; A152-S155 PolarHBondContact O-N 3.48Å; A152-S156 PolarHBondContact O-N 2.9Å; A152-S156 PolarHBondContact O-OG 3.27Å |
| 153 | G | 98.4 | Very high | 98.6 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 11% | 0.113 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L149 H150 L151 S155 S156 I157 | L149-G153 PolarHBondContact O-N 3.12Å; H150-G153 PolarHBondContact O-N 3.43Å; L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 3.46Å; G153-S155 PolarHBondContact O-N 3.46Å; G153-S156 PolarHBondContact O-N 2.97Å; G153-I157 WeakPolarHBondContact O-CG1 3.49Å; G153-I157 PolarHBondContact O-N 3.16Å |
| 154 | V | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 24.5 Ų | 24.5 | 41% | 0.406 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62 | -44.1 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | L103 H150 L151 S156 I157 L158 | L103-V154 HydrophobicContact CD1-CB 4.22Å; L103-V154 HydrophobicContact CD1-CG1 3.68Å; H150-V154 WeakPolarHBondContact O-CG2 3.28Å; H150-V154 PolarHBondContact O-N 3.49Å; L151-V154 PolarHBondContact O-N 3.02Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 2.98Å; V154-I157 PolarHBondContact O-N 3.22Å; V154-L158 HydrophobicContact CG1-CD1 4.05Å; V154-L158 HydrophobicContact CG1-CG 4.32Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.22Å; V154-L158 PolarHBondContact O-N 2.87Å |
| 155 | S | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -50.7 | -54 | 172.5 | 158.3 | 0 | 0 | 0 | 0 | 111 | S100 L151 A152 G153 I157 L158 G159 | S100-S155 VanDerWaalsContact O-CB 3.23Å; S100-S155 WeakPolarHBondContact O-CB 3.49Å; S100-S155 PolarHBondContact O-OG 3.47Å; S100-S155 PolarHBondContact OG-O 2.7Å; S100-S155 PolarHBondContact OG-OG 3.32Å; L151-S155 PolarHBondContact O-N 2.63Å; A152-S155 WeakPolarHBondContact O-CB 3.32Å; A152-S155 PolarHBondContact O-N 3.48Å; G153-S155 PolarHBondContact O-N 3.46Å; S155-I157 PolarHBondContact O-N 2.91Å; S155-L158 PolarHBondContact O-N 3.42Å; S155-G159 PolarHBondContact O-N 2.96Å |
| 156 | S | 98.3 | Very high | 98.6 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 15% | 0.147 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -36.1 | -176 | -65.4 | 0 | 0 | 0 | 0 | 113.7 | A152 G153 V154 G159 A160 | A152-S156 PolarHBondContact O-N 2.9Å; A152-S156 PolarHBondContact O-OG 3.27Å; G153-S156 PolarHBondContact O-N 2.97Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 2.98Å; S156-G159 PolarHBondContact O-N 3.1Å; S156-A160 VanDerWaalsContact O-CB 3.31Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 3.5Å |
| 157 | I | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 24.2 Ų | 24.2 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 175.2 | -69.5 | 168.7 | 0 | 0 | 0 | 110.9 | G153 V154 S155 G159 A160 I161 L195 L198 | G153-I157 WeakPolarHBondContact O-CG1 3.49Å; G153-I157 PolarHBondContact O-N 3.16Å; V154-I157 PolarHBondContact O-N 3.22Å; S155-I157 PolarHBondContact O-N 2.91Å; I157-G159 VanDerWaalsContact C-N 3.33Å; I157-G159 PolarHBondContact O-N 3.32Å; I157-A160 PolarHBondContact O-N 3.49Å; I157-I161 HydrophobicContact CG2-CD1 3.95Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 3.18Å; I157-L195 HydrophobicContact CG2-CD1 4.2Å; I157-L198 HydrophobicContact CD1-CB 3.98Å; I157-L198 HydrophobicContact CG1-CB 3.99Å; I157-L198 HydrophobicContact CG1-CD1 3.81Å |
| 158 | L | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 23.7 Ų | 23.7 | 17% | 0.168 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.2 | -68.4 | 178.7 | 0 | 0 | 0 | 111.3 | M96 M99 L103 V154 S155 N162 | M96-L158 HydrophobicContact CE-CD2 4.45Å; M96-L158 HydrophobicContact CG-CB 3.86Å; M96-L158 HydrophobicContact CG-CD2 3.96Å; M96-L158 HydrophobicContact CG-CG 4.34Å; M96-L158 HydrophobicContact SD-CB 4.3Å; M96-L158 HydrophobicContact SD-CD2 4.04Å; M99-L158 HydrophobicContact CE-CD1 4.32Å; M99-L158 HydrophobicContact CG-CD1 4.17Å; M99-L158 HydrophobicContact SD-CD1 4.12Å; L103-L158 HydrophobicContact CD1-CD1 4.11Å; V154-L158 HydrophobicContact CG1-CD1 4.05Å; V154-L158 HydrophobicContact CG1-CG 4.32Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.22Å; V154-L158 PolarHBondContact O-N 2.87Å; S155-L158 PolarHBondContact O-N 3.42Å; L158-N162 WeakPolarHBondContact O-CB 3.4Å; L158-N162 PolarHBondContact O-N 2.93Å; L158-N162 VanDerWaalsContact O-N 3.16Å |
| 159 | G | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S155 S156 I157 I161 N162 F163 | S155-G159 PolarHBondContact O-N 2.96Å; S156-G159 PolarHBondContact O-N 3.1Å; I157-G159 VanDerWaalsContact C-N 3.33Å; I157-G159 PolarHBondContact O-N 3.32Å; G159-I161 PolarHBondContact O-N 3.01Å; G159-N162 WeakPolarHBondContact O-CB 3.48Å; G159-N162 PolarHBondContact O-N 3.42Å; G159-F163 WeakPolarHBondContact O-CD2 3.21Å; G159-F163 PolarHBondContact O-N 3.49Å |
| 160 | A | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S156 I157 N162 F163 I164 A191 L194 | S156-A160 VanDerWaalsContact O-CB 3.31Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 3.5Å; I157-A160 PolarHBondContact O-N 3.49Å; A160-N162 VanDerWaalsContact C-N 3.27Å; A160-N162 PolarHBondContact O-N 3.47Å; A160-F163 PolarHBondContact O-N 3.47Å; A160-I164 VanDerWaalsContact O-CG1 3.28Å; A160-I164 WeakPolarHBondContact O-CG1 3.44Å; A160-I164 PolarHBondContact O-N 2.82Å; A160-A191 HydrophobicContact CB-CB 4.04Å; A160-A191 WeakPolarHBondContact CB-O 3.13Å; A160-L194 HydrophobicContact CB-CB 4Å |
| 161 | I | 98.8 | Very high | 97.9 | Very high | 57 Ų | 57 | 31.1 Ų | 31.1 | 29% | 0.292 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.2 | -67.5 | 166.6 | 0 | 0 | 0 | 110.4 | F93 M96 I157 G159 T165 L195 | F93-I161 HydrophobicContact CE2-CG2 4.16Å; M96-I161 HydrophobicContact SD-CB 4.48Å; M96-I161 HydrophobicContact SD-CG2 4.35Å; I157-I161 HydrophobicContact CG2-CD1 3.95Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 3.18Å; G159-I161 PolarHBondContact O-N 3.01Å; I161-T165 WeakPolarHBondContact O-CB 3.47Å; I161-T165 PolarHBondContact O-N 3.34Å; I161-T165 PolarHBondContact O-OG1 2.98Å; I161-L195 HydrophobicContact CD1-CD1 4.4Å; I161-L195 HydrophobicContact CG1-CD1 4.02Å |
| 162 | N | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 178.7 | -169 | 22.3 | 0 | 0 | 0 | 112.4 | M91 A92 F93 N97 L158 G159 A160 T165 T166 | M91-N162 HydrophobicContact CE-CB 4.3Å; M91-N162 WeakPolarHBondContact CE-ND2 3.44Å; A92-N162 PolarHBondContact N-OD1 3.48Å; F93-N162 HydrophobicContact CD2-CB 4.34Å; F93-N162 PolarHBondContact N-OD1 2.92Å; F93-N162 PolarHBondContact O-ND2 3.38Å; N97-N162 WeakPolarHBondContact CB-ND2 3.36Å; L158-N162 WeakPolarHBondContact O-CB 3.4Å; L158-N162 PolarHBondContact O-N 2.93Å; L158-N162 VanDerWaalsContact O-N 3.16Å; G159-N162 WeakPolarHBondContact O-CB 3.48Å; G159-N162 PolarHBondContact O-N 3.42Å; A160-N162 VanDerWaalsContact C-N 3.27Å; A160-N162 PolarHBondContact O-N 3.47Å; N162-T165 PolarHBondContact O-N 3.36Å; N162-T166 VanDerWaalsContact O-CB 3.28Å; N162-T166 WeakPolarHBondContact O-CB 3.38Å; N162-T166 PolarHBondContact O-N 3.03Å; N162-T166 PolarHBondContact O-OG1 3.32Å; N162-T166 PolarHBondContact OD1-OG1 3.45Å |
| 163 | F | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | 176 | -79.7 | -60.5 | 0 | 0 | 0 | 112.5 | I74 G78 V82 M91 G159 A160 T165 T166 I167 V187 A191 | I74-F163 HydrophobicContact CG2-CD2 4.11Å; I74-F163 HydrophobicContact CG2-CE2 3.6Å; I74-F163 HydrophobicContact CG2-CZ 4.46Å; I74-F163 VanDerWaalsContact O-CZ 3.29Å; I74-F163 WeakPolarHBondContact O-CZ 3.34Å; G78-F163 VanDerWaalsContact C-CE1 3.46Å; V82-F163 HydrophobicContact CB-CD1 4.38Å; V82-F163 HydrophobicContact CB-CE1 4.25Å; V82-F163 HydrophobicContact CG1-CD1 4.37Å; V82-F163 HydrophobicContact CG2-CD1 4.22Å; V82-F163 HydrophobicContact CG2-CE1 4.13Å; M91-F163 HydrophobicContact CE-CD1 3.46Å; M91-F163 VanDerWaalsContact CE-CD1 3.46Å; M91-F163 HydrophobicContact CE-CE1 3.54Å; M91-F163 HydrophobicContact CE-CG 4.03Å; M91-F163 HydrophobicContact CE-CZ 4.2Å; M91-F163 HydrophobicContact SD-CD1 4.37Å; M91-F163 HydrophobicContact SD-CE1 4.17Å; G159-F163 WeakPolarHBondContact O-CD2 3.21Å; G159-F163 PolarHBondContact O-N 3.49Å; A160-F163 PolarHBondContact O-N 3.47Å; F163-T165 VanDerWaalsContact C-N 3.33Å; F163-T165 PolarHBondContact O-N 3.44Å; F163-T166 PolarHBondContact O-N 3.27Å; F163-I167 WeakPolarHBondContact O-CB 3.48Å; F163-I167 VanDerWaalsContact O-CG1 3.24Å; F163-I167 WeakPolarHBondContact O-CG1 3.31Å; F163-I167 PolarHBondContact O-N 2.95Å; F163-V187 HydrophobicContact CB-CG1 4.3Å; F163-V187 HydrophobicContact CD1-CG1 3.77Å; F163-V187 HydrophobicContact CD2-CG1 4.31Å; F163-V187 HydrophobicContact CE1-CG1 4.2Å; F163-V187 HydrophobicContact CG-CG1 3.87Å; F163-A191 HydrophobicContact CB-CB 4.04Å |
| 164 | I | 98.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.1 | -49.9 | 178.6 | -68.8 | 164.4 | 0 | 0 | 0 | 109.9 | A160 T166 I167 I168 L188 A191 I192 L195 | A160-I164 VanDerWaalsContact O-CG1 3.28Å; A160-I164 WeakPolarHBondContact O-CG1 3.44Å; A160-I164 PolarHBondContact O-N 2.82Å; I164-T166 PolarHBondContact O-N 3.26Å; I164-I167 PolarHBondContact O-N 3.39Å; I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 WeakPolarHBondContact O-CB 3.11Å; I164-I168 VanDerWaalsContact O-CG1 3.29Å; I164-I168 WeakPolarHBondContact O-CG1 3.45Å; I164-I168 PolarHBondContact O-N 3.25Å; I164-L188 HydrophobicContact CG1-CD1 4.22Å; I164-A191 HydrophobicContact CD1-CB 4.17Å; I164-A191 HydrophobicContact CG1-CB 3.75Å; I164-I192 HydrophobicContact CD1-CG1 4.09Å; I164-I192 HydrophobicContact CG1-CG1 4.31Å; I164-L195 HydrophobicContact CD1-CD2 3.97Å |
| 165 | T | 98.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | -178.3 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | A92 F93 I161 N162 F163 N169 | A92-T165 HydrophobicContact CB-CG2 3.76Å; F93-T165 HydrophobicContact CE2-CG2 3.78Å; F93-T165 WeakPolarHBondContact CE2-OG1 3.42Å; F93-T165 HydrophobicContact CZ-CG2 3.78Å; I161-T165 WeakPolarHBondContact O-CB 3.47Å; I161-T165 PolarHBondContact O-N 3.34Å; I161-T165 PolarHBondContact O-OG1 2.98Å; N162-T165 PolarHBondContact O-N 3.36Å; F163-T165 VanDerWaalsContact C-N 3.33Å; F163-T165 PolarHBondContact O-N 3.44Å; T165-N169 VanDerWaalsContact O-CB 3.28Å; T165-N169 WeakPolarHBondContact O-CB 3.32Å; T165-N169 PolarHBondContact O-N 3.06Å |
| 166 | T | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -50.9 | 179.3 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | I86 M91 A92 N162 F163 I164 I168 M170 | I86-T166 HydrophobicContact CD1-CG2 4Å; M91-T166 HydrophobicContact SD-CG2 3.88Å; A92-T166 WeakPolarHBondContact CB-OG1 3.38Å; A92-T166 PolarHBondContact N-OG1 2.86Å; N162-T166 VanDerWaalsContact O-CB 3.28Å; N162-T166 WeakPolarHBondContact O-CB 3.38Å; N162-T166 PolarHBondContact O-N 3.03Å; N162-T166 PolarHBondContact O-OG1 3.32Å; N162-T166 PolarHBondContact OD1-OG1 3.45Å; F163-T166 PolarHBondContact O-N 3.27Å; I164-T166 PolarHBondContact O-N 3.26Å; T166-I168 PolarHBondContact O-N 3.14Å; T166-M170 HydrophobicContact CG2-CB 4.39Å; T166-M170 HydrophobicContact CG2-SD 3.99Å; T166-M170 VanDerWaalsContact O-CB 3.32Å; T166-M170 WeakPolarHBondContact O-CB 3.48Å; T166-M170 PolarHBondContact O-N 3.35Å |
| 167 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -37.7 | -176.2 | -66.1 | 169.7 | 0 | 0 | 0 | 111.4 | V82 F163 I164 K171 V184 V187 L188 | V82-I167 HydrophobicContact CG1-CD1 3.99Å; V82-I167 HydrophobicContact CG1-CG1 3.53Å; F163-I167 WeakPolarHBondContact O-CB 3.48Å; F163-I167 VanDerWaalsContact O-CG1 3.24Å; F163-I167 WeakPolarHBondContact O-CG1 3.31Å; F163-I167 PolarHBondContact O-N 2.95Å; I164-I167 PolarHBondContact O-N 3.39Å; I167-K171 WeakPolarHBondContact O-CD 3.3Å; I167-K171 VanDerWaalsContact O-CG 3.29Å; I167-K171 WeakPolarHBondContact O-CG 3.31Å; I167-K171 PolarHBondContact O-NZ 3.35Å; I167-V184 HydrophobicContact CB-CG1 4.4Å; I167-V184 HydrophobicContact CD1-CG1 3.91Å; I167-V184 HydrophobicContact CG1-CG1 3.84Å; I167-V184 HydrophobicContact CG2-CG1 3.7Å; I167-V187 HydrophobicContact CD1-CB 4.47Å; I167-V187 HydrophobicContact CD1-CG1 4.27Å; I167-L188 HydrophobicContact CB-CD1 4.38Å; I167-L188 HydrophobicContact CD1-CB 3.9Å; I167-L188 HydrophobicContact CD1-CD1 4.49Å; I167-L188 HydrophobicContact CG2-CB 4.28Å; I167-L188 HydrophobicContact CG2-CD1 4.27Å; I167-L188 HydrophobicContact CG2-CD2 4.07Å; I167-L188 HydrophobicContact CG2-CG 4.44Å |
| 168 | I | 96.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 43.1 Ų | 43.1 | 46% | 0.456 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.9 | -45.2 | -178.4 | -64.4 | 175.9 | 0 | 0 | 0 | 110.8 | I164 T166 K171 L188 | I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 WeakPolarHBondContact O-CB 3.11Å; I164-I168 VanDerWaalsContact O-CG1 3.29Å; I164-I168 WeakPolarHBondContact O-CG1 3.45Å; I164-I168 PolarHBondContact O-N 3.25Å; T166-I168 PolarHBondContact O-N 3.14Å; I168-K171 PolarHBondContact O-NZ 3.39Å; I168-L188 HydrophobicContact CG1-CD1 4.47Å |
| 169 | N | 95.9 | Very high | 94 | Very high | 117 Ų | 117 | 45.2 Ų | 45.2 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -102.1 | -21.1 | -165.2 | -63.6 | -31.8 | 0 | 0 | 0 | 115.7 | T165 | T165-N169 VanDerWaalsContact O-CB 3.28Å; T165-N169 WeakPolarHBondContact O-CB 3.32Å; T165-N169 PolarHBondContact O-N 3.06Å |
| 170 | M | 95.2 | Very high | 93.8 | Very high | 54 Ų | 54 | 45 Ų | 45 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -102.8 | 9.7 | -171.3 | -59.3 | -173.9 | 69.3 | 0 | 0 | 114.4 | A88 D90 A92 T166 | A88-M170 HydrophobicContact CB-CB 4.01Å; A88-M170 HydrophobicContact CB-CE 4.44Å; D90-M170 WeakPolarHBondContact O-CE 3.39Å; A92-M170 WeakPolarHBondContact CA-SD 3.12Å; A92-M170 HydrophobicContact CB-CG 4.48Å; A92-M170 HydrophobicContact CB-SD 3.62Å; A92-M170 PolarHBondContact N-SD 2.96Å; T166-M170 HydrophobicContact CG2-CB 4.39Å; T166-M170 HydrophobicContact CG2-SD 3.99Å; T166-M170 VanDerWaalsContact O-CB 3.32Å; T166-M170 WeakPolarHBondContact O-CB 3.48Å; T166-M170 PolarHBondContact O-N 3.35Å |
| 171 | K | 91.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -70.2 | 147.3 | 173.3 | -60.4 | -170.1 | -63.7 | -81.1 | 0 | 110.7 | I86 I167 I168 M175 T180 | I86-K171 HydrophobicContact CB-CG 4.21Å; I86-K171 HydrophobicContact CD1-CG 4.43Å; I86-K171 HydrophobicContact CG2-CG 4.48Å; I167-K171 WeakPolarHBondContact O-CD 3.3Å; I167-K171 VanDerWaalsContact O-CG 3.29Å; I167-K171 WeakPolarHBondContact O-CG 3.31Å; I167-K171 PolarHBondContact O-NZ 3.35Å; I168-K171 PolarHBondContact O-NZ 3.39Å; K171-M175 HydrophobicContact CB-CB 4.47Å; K171-M175 HydrophobicContact CD-CG 4.27Å; K171-M175 HydrophobicContact CD-SD 3.96Å; K171-M175 HydrophobicContact CG-SD 4.37Å; K171-T180 HydrophobicContact CD-CG2 3.42Å; K171-T180 VanDerWaalsContact CD-CG2 3.42Å |
| 172 | P | 88.2 | Confident | 93.6 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | trans | -53.4 | 142.1 | 167.7 | -25.9 | 31.6 | 0 | 0 | 0 | 110.8 | I86 A174 M175 V508 | I86-P172 WeakPolarHBondContact O-CD 3.47Å; P172-A174 PolarHBondContact O-N 3.46Å; P172-M175 PolarHBondContact O-N 2.83Å; P172-V508 HydrophobicContact CG-CB 4.11Å | ||
| 173 | P | 84.8 | Confident | 93.5 | Very high | 135 Ų | 135 | 44.1 Ų | 44.1 | 88% | 0.877 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.6 | -177.8 | -28.6 | 35.1 | 0 | 0 | 0 | 115 | ||
| 174 | A | 84.9 | Confident | 93.5 | Very high | 54 Ų | 54 | 44 Ų | 44 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -18.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P172 M510 | P172-A174 PolarHBondContact O-N 3.46Å; A174-M510 HydrophobicContact CB-CB 4.33Å |
| 175 | M | 89.4 | Confident | 93.5 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | trans | -89.9 | 108.3 | -177.6 | -177.4 | -176.2 | -82.4 | 0 | 0 | 110.5 | K171 P172 Q179 T180 L491 M510 | K171-M175 HydrophobicContact CB-CB 4.47Å; K171-M175 HydrophobicContact CD-CG 4.27Å; K171-M175 HydrophobicContact CD-SD 3.96Å; K171-M175 HydrophobicContact CG-SD 4.37Å; P172-M175 PolarHBondContact O-N 2.83Å; M175-Q179 HydrophobicContact CG-CB 4.31Å; M175-T180 HydrophobicContact CG-CG2 4.38Å; M175-T180 HydrophobicContact SD-CG2 3.97Å; M175-L491 HydrophobicContact CE-CD1 4.13Å; M175-M510 HydrophobicContact CE-CE 3.45Å; M175-M510 VanDerWaalsContact CE-CE 3.45Å; M175-M510 HydrophobicContact CE-SD 4.13Å | ||
| 176 | T | 91.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 42 Ų | 42 | 45% | 0.454 | 23% | 0.227 | S | C | . | . | trans | -72.4 | 161 | 170.3 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | Y178 Q179 | T176-Y178 PolarHBondContact O-N 3.36Å; T176-Q179 PolarHBondContact O-N 3.46Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.49Å; T176-Q179 PolarHBondContact OG1-OE1 3.16Å | ||
| 177 | Q | 91.2 | Very high | 93.5 | Very high | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.224 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60 | -34.1 | 177.5 | -173.1 | 56.9 | 33.8 | 0 | 0 | 112.3 | Q179 T180 W185 | Q177-Q179 PolarHBondContact O-N 2.85Å; Q177-T180 PolarHBondContact NE2-OG1 3.46Å; Q177-T180 PolarHBondContact O-N 3.22Å; Q177-T180 PolarHBondContact O-OG1 3.41Å; Q177-W185 HydrophobicContact CG-CH2 3.49Å; Q177-W185 VanDerWaalsContact CG-CH2 3.49Å; Q177-W185 HydrophobicContact CG-CZ2 3.51Å; Q177-W185 HydrophobicContact CG-CZ3 4.37Å; Q177-W185 WeakPolarHBondContact O-CZ2 3.45Å; Q177-W185 PolarHBondContact O-NE1 3Å |
| 178 | Y | 89.1 | Confident | 93.5 | Very high | 122 Ų | 122 | 42.6 Ų | 42.6 | 48% | 0.478 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -72.6 | -10.8 | 176.7 | -65.4 | -63.9 | 0 | 0 | 0 | 113.9 | T176 W185 Y269 M270 | T176-Y178 PolarHBondContact O-N 3.36Å; Y178-W185 HydrophobicContact CD1-CZ2 4.43Å; Y178-Y269 WeakPolarHBondContact O-CE1 3.45Å; Y178-Y269 PolarHBondContact O-OH 3.29Å; Y178-M270 HydrophobicContact CD1-CE 3.45Å; Y178-M270 VanDerWaalsContact CD1-CE 3.45Å; Y178-M270 HydrophobicContact CD1-SD 3.76Å; Y178-M270 HydrophobicContact CE1-CE 3.62Å; Y178-M270 HydrophobicContact CG-CE 4.22Å; Y178-M270 HydrophobicContact CG-SD 4.31Å |
| 179 | Q | 89.4 | Confident | 93.7 | Very high | 75 Ų | 75 | 39 Ų | 39 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -97.5 | 3.8 | 174.6 | -69.2 | 163.3 | -52.6 | 0 | 0 | 112.7 | M175 T176 Q177 | M175-Q179 HydrophobicContact CG-CB 4.31Å; T176-Q179 PolarHBondContact O-N 3.46Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.49Å; T176-Q179 PolarHBondContact OG1-OE1 3.16Å; Q177-Q179 PolarHBondContact O-N 2.85Å |
| 180 | T | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -75.1 | 139.8 | -179.3 | 57.8 | 0 | 0 | 0 | 0 | 112 | K171 M175 Q177 W185 Y269 | K171-T180 HydrophobicContact CD-CG2 3.42Å; K171-T180 VanDerWaalsContact CD-CG2 3.42Å; M175-T180 HydrophobicContact CG-CG2 4.38Å; M175-T180 HydrophobicContact SD-CG2 3.97Å; Q177-T180 PolarHBondContact NE2-OG1 3.46Å; Q177-T180 PolarHBondContact O-N 3.22Å; Q177-T180 PolarHBondContact O-OG1 3.41Å; T180-W185 VanDerWaalsContact O-CD1 3.3Å; T180-W185 PolarHBondContact OG1-NE1 2.84Å; T180-Y269 PolarHBondContact O-OH 3.43Å |
| 181 | P | 95.3 | Very high | 94 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 21% | 0.214 | 17% | 0.17 | C | C | . | . | trans | -60 | 151.4 | -178.7 | -26 | 35.9 | 0 | 0 | 0 | 113.7 | M85 F183 V184 W185 H255 | M85-P181 HydrophobicContact CB-CG 4.21Å; P181-F183 PolarHBondContact O-N 2.68Å; P181-V184 HydrophobicContact CB-CG2 4.34Å; P181-V184 HydrophobicContact CG-CG2 4.46Å; P181-V184 WeakPolarHBondContact O-CA 3.43Å; P181-V184 WeakPolarHBondContact O-CB 3.36Å; P181-V184 PolarHBondContact O-N 3.45Å; P181-W185 PolarHBondContact O-N 2.85Å; P181-H255 WeakPolarHBondContact CB-NE2 3.29Å | ||
| 182 | L | 97.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -30 | -175.3 | -72 | -176.7 | 0 | 0 | 0 | 113.3 | S186 P266 Y269 M272 V273 M276 | L182-S186 WeakPolarHBondContact O-CB 3.31Å; L182-S186 PolarHBondContact O-N 2.83Å; L182-P266 HydrophobicContact CD1-CB 4.36Å; L182-P266 HydrophobicContact CD1-CG 3.49Å; L182-P266 VanDerWaalsContact CD1-CG 3.49Å; L182-P266 HydrophobicContact CG-CG 4.35Å; L182-Y269 HydrophobicContact CD1-CD2 4.35Å; L182-Y269 HydrophobicContact CD2-CD2 3.67Å; L182-Y269 HydrophobicContact CD2-CE2 3.52Å; L182-Y269 HydrophobicContact CG-CD2 3.8Å; L182-Y269 HydrophobicContact CG-CE2 3.8Å; L182-M272 HydrophobicContact CD1-CB 4.01Å; L182-M272 HydrophobicContact CD1-CE 3.8Å; L182-M272 HydrophobicContact CD1-CG 4.5Å; L182-M272 HydrophobicContact CD1-SD 3.65Å; L182-M272 HydrophobicContact CD2-CB 4.18Å; L182-V273 HydrophobicContact CD2-CG2 3.55Å; L182-M276 HydrophobicContact CB-CE 4.49Å; L182-M276 HydrophobicContact CD2-CE 3.76Å |
| 183 | F | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 172 | -179.2 | -103.6 | 0 | 0 | 0 | 111.6 | F77 L81 V82 M85 P181 W185 S186 V187 P248 M252 H255 | F77-F183 HydrophobicContact CB-CE2 4.37Å; F77-F183 HydrophobicContact CB-CZ 3.76Å; L81-F183 HydrophobicContact CB-CD1 4.07Å; L81-F183 HydrophobicContact CB-CE1 3.76Å; L81-F183 HydrophobicContact CD1-CD1 4.27Å; L81-F183 HydrophobicContact CD1-CE1 3.98Å; L81-F183 HydrophobicContact CD1-CZ 4.3Å; L81-F183 HydrophobicContact CG-CE1 4.45Å; V82-F183 HydrophobicContact CG2-CE1 4.28Å; M85-F183 HydrophobicContact CE-CD1 4.44Å; M85-F183 HydrophobicContact SD-CB 4.01Å; M85-F183 HydrophobicContact SD-CD1 3.76Å; M85-F183 HydrophobicContact SD-CG 4.29Å; P181-F183 PolarHBondContact O-N 2.68Å; F183-W185 PolarHBondContact O-N 3.12Å; F183-S186 PolarHBondContact O-N 2.99Å; F183-S186 VanDerWaalsContact O-N 3.13Å; F183-S186 PolarHBondContact O-OG 3.35Å; F183-V187 HydrophobicContact CD1-CG2 4.31Å; F183-V187 HydrophobicContact CE1-CG2 3.8Å; F183-V187 HydrophobicContact CE2-CG2 4.11Å; F183-V187 HydrophobicContact CZ-CG2 3.69Å; F183-V187 WeakPolarHBondContact O-CG2 3.46Å; F183-V187 PolarHBondContact O-N 3.48Å; F183-P248 HydrophobicContact CE2-CB 4.29Å; F183-M252 HydrophobicContact CD2-CG 3.72Å; F183-M252 HydrophobicContact CE2-CG 3.62Å; F183-M252 HydrophobicContact CE2-SD 4.44Å; F183-H255 WeakPolarHBondContact CB-NE2 3.09Å; F183-H255 PolarHBondContact N-NE2 2.72Å |
| 184 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | M85 I86 I167 P181 S186 V187 L188 | M85-V184 HydrophobicContact CB-CG2 3.7Å; M85-V184 HydrophobicContact SD-CG2 4.29Å; I86-V184 HydrophobicContact CG2-CB 4.4Å; I86-V184 HydrophobicContact CG2-CG1 3.72Å; I86-V184 HydrophobicContact CG2-CG2 3.9Å; I167-V184 HydrophobicContact CB-CG1 4.4Å; I167-V184 HydrophobicContact CD1-CG1 3.91Å; I167-V184 HydrophobicContact CG1-CG1 3.84Å; I167-V184 HydrophobicContact CG2-CG1 3.7Å; P181-V184 HydrophobicContact CB-CG2 4.34Å; P181-V184 HydrophobicContact CG-CG2 4.46Å; P181-V184 WeakPolarHBondContact O-CA 3.43Å; P181-V184 WeakPolarHBondContact O-CB 3.36Å; P181-V184 PolarHBondContact O-N 3.45Å; V184-S186 VanDerWaalsContact C-N 3.31Å; V184-S186 PolarHBondContact O-N 3.21Å; V184-V187 PolarHBondContact O-N 2.99Å; V184-L188 WeakPolarHBondContact O-CB 3.41Å; V184-L188 PolarHBondContact O-N 3.28Å |
| 185 | W | 98.4 | Very high | 96 | Very high | 19 Ų | 19 | 26.8 Ų | 26.8 | 7% | 0.072 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.9 | -45 | 172.1 | -90.1 | 112.6 | 0 | 0 | 0 | 112.6 | Q177 Y178 T180 P181 F183 V187 L188 I189 Y269 V273 M276 M277 | Q177-W185 HydrophobicContact CG-CH2 3.49Å; Q177-W185 VanDerWaalsContact CG-CH2 3.49Å; Q177-W185 HydrophobicContact CG-CZ2 3.51Å; Q177-W185 HydrophobicContact CG-CZ3 4.37Å; Q177-W185 WeakPolarHBondContact O-CZ2 3.45Å; Q177-W185 PolarHBondContact O-NE1 3Å; Y178-W185 HydrophobicContact CD1-CZ2 4.43Å; T180-W185 VanDerWaalsContact O-CD1 3.3Å; T180-W185 PolarHBondContact OG1-NE1 2.84Å; P181-W185 PolarHBondContact O-N 2.85Å; F183-W185 PolarHBondContact O-N 3.12Å; W185-V187 VanDerWaalsContact C-N 3.34Å; W185-V187 PolarHBondContact O-N 3.35Å; W185-L188 HydrophobicContact CE3-CD2 4.18Å; W185-L188 HydrophobicContact CZ3-CD2 4.14Å; W185-L188 PolarHBondContact O-N 3.4Å; W185-I189 WeakPolarHBondContact O-CG1 3.16Å; W185-I189 PolarHBondContact O-N 3.05Å; W185-Y269 PolarHBondContact NE1-OH 3.49Å; W185-Y269 VanDerWaalsContact NE1-OH 3.16Å; W185-V273 HydrophobicContact CD2-CG1 3.8Å; W185-V273 HydrophobicContact CD2-CG2 4.44Å; W185-V273 HydrophobicContact CE3-CG1 4.16Å; W185-V273 HydrophobicContact CG-CG1 4.29Å; W185-V273 HydrophobicContact CG-CG2 4.15Å; W185-V273 HydrophobicContact CH2-CG1 4.13Å; W185-V273 HydrophobicContact CZ2-CG1 3.77Å; W185-V273 HydrophobicContact CZ3-CG1 4.32Å; W185-M276 HydrophobicContact CB-CE 3.74Å; W185-M277 HydrophobicContact CH2-SD 4.43Å; W185-M277 HydrophobicContact CZ3-SD 4.06Å |
| 186 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | -179.6 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | L182 F183 V184 T190 L247 P248 | L182-S186 WeakPolarHBondContact O-CB 3.31Å; L182-S186 PolarHBondContact O-N 2.83Å; F183-S186 PolarHBondContact O-N 2.99Å; F183-S186 VanDerWaalsContact O-N 3.13Å; F183-S186 PolarHBondContact O-OG 3.35Å; V184-S186 VanDerWaalsContact C-N 3.31Å; V184-S186 PolarHBondContact O-N 3.21Å; S186-T190 VanDerWaalsContact O-CB 3.31Å; S186-T190 WeakPolarHBondContact O-CB 3.31Å; S186-T190 PolarHBondContact O-N 3.34Å; S186-T190 PolarHBondContact O-OG1 3.15Å; S186-L247 WeakPolarHBondContact CB-O 3.46Å; S186-P248 WeakPolarHBondContact OG-CA 3.3Å |
| 187 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.5 | -40.3 | 174.8 | 175.8 | 0 | 0 | 0 | 0 | 111 | I74 V82 F163 I167 F183 V184 W185 T190 A191 | I74-V187 HydrophobicContact CD1-CG1 4.41Å; I74-V187 HydrophobicContact CD1-CG2 4.41Å; V82-V187 HydrophobicContact CG2-CB 4.13Å; V82-V187 HydrophobicContact CG2-CG1 3.99Å; V82-V187 HydrophobicContact CG2-CG2 4.14Å; F163-V187 HydrophobicContact CB-CG1 4.3Å; F163-V187 HydrophobicContact CD1-CG1 3.77Å; F163-V187 HydrophobicContact CD2-CG1 4.31Å; F163-V187 HydrophobicContact CE1-CG1 4.2Å; F163-V187 HydrophobicContact CG-CG1 3.87Å; I167-V187 HydrophobicContact CD1-CB 4.47Å; I167-V187 HydrophobicContact CD1-CG1 4.27Å; F183-V187 HydrophobicContact CD1-CG2 4.31Å; F183-V187 HydrophobicContact CE1-CG2 3.8Å; F183-V187 HydrophobicContact CE2-CG2 4.11Å; F183-V187 HydrophobicContact CZ-CG2 3.69Å; F183-V187 WeakPolarHBondContact O-CG2 3.46Å; F183-V187 PolarHBondContact O-N 3.48Å; V184-V187 PolarHBondContact O-N 2.99Å; W185-V187 VanDerWaalsContact C-N 3.34Å; W185-V187 PolarHBondContact O-N 3.35Å; V187-T190 PolarHBondContact O-N 3.06Å; V187-A191 WeakPolarHBondContact O-CB 3.33Å; V187-A191 PolarHBondContact O-N 3.26Å |
| 188 | L | 98.8 | Very high | 97 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 7% | 0.068 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 176.5 | 178.5 | 61.1 | 0 | 0 | 0 | 111.7 | I164 I167 I168 V184 W185 T190 A191 I192 | I164-L188 HydrophobicContact CG1-CD1 4.22Å; I167-L188 HydrophobicContact CB-CD1 4.38Å; I167-L188 HydrophobicContact CD1-CB 3.9Å; I167-L188 HydrophobicContact CD1-CD1 4.49Å; I167-L188 HydrophobicContact CG2-CB 4.28Å; I167-L188 HydrophobicContact CG2-CD1 4.27Å; I167-L188 HydrophobicContact CG2-CD2 4.07Å; I167-L188 HydrophobicContact CG2-CG 4.44Å; I168-L188 HydrophobicContact CG1-CD1 4.47Å; V184-L188 WeakPolarHBondContact O-CB 3.41Å; V184-L188 PolarHBondContact O-N 3.28Å; W185-L188 HydrophobicContact CE3-CD2 4.18Å; W185-L188 HydrophobicContact CZ3-CD2 4.14Å; W185-L188 PolarHBondContact O-N 3.4Å; L188-T190 VanDerWaalsContact C-N 3.33Å; L188-A191 PolarHBondContact O-N 2.83Å; L188-I192 HydrophobicContact CD1-CD1 4.4Å; L188-I192 HydrophobicContact CG-CD1 4.34Å; L188-I192 WeakPolarHBondContact O-CG1 3.44Å; L188-I192 PolarHBondContact O-N 3.35Å; L188-I192 VanDerWaalsContact O-N 3.08Å |
| 189 | I | 98.8 | Very high | 97.5 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 7% | 0.072 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 178.6 | -63.6 | 162.2 | 0 | 0 | 0 | 109.3 | W185 A191 I192 L193 L247 M276 M277 | W185-I189 WeakPolarHBondContact O-CG1 3.16Å; W185-I189 PolarHBondContact O-N 3.05Å; I189-A191 VanDerWaalsContact C-N 3.32Å; I189-A191 PolarHBondContact O-N 3.41Å; I189-I192 WeakPolarHBondContact O-CB 3.22Å; I189-I192 PolarHBondContact O-N 2.87Å; I189-I192 VanDerWaalsContact O-N 3.13Å; I189-L193 HydrophobicContact CG2-CG 4.45Å; I189-L193 WeakPolarHBondContact O-CG 3.2Å; I189-L193 PolarHBondContact O-N 3.47Å; I189-L247 HydrophobicContact CB-CD1 4.37Å; I189-L247 HydrophobicContact CG2-CD1 3.69Å; I189-M276 HydrophobicContact CD1-CB 3.43Å; I189-M276 VanDerWaalsContact CD1-CB 3.43Å; I189-M277 HydrophobicContact CD1-CG 3.84Å; I189-M277 HydrophobicContact CG1-CG 4.35Å |
| 190 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.5 | -42.6 | 177.6 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | I74 S186 V187 L188 I192 L193 L194 I244 L247 P248 | I74-T190 HydrophobicContact CD1-CG2 3.52Å; I74-T190 HydrophobicContact CG1-CG2 3.95Å; S186-T190 VanDerWaalsContact O-CB 3.31Å; S186-T190 WeakPolarHBondContact O-CB 3.31Å; S186-T190 PolarHBondContact O-N 3.34Å; S186-T190 PolarHBondContact O-OG1 3.15Å; V187-T190 PolarHBondContact O-N 3.06Å; L188-T190 VanDerWaalsContact C-N 3.33Å; T190-I192 VanDerWaalsContact C-N 3.34Å; T190-I192 PolarHBondContact O-N 2.95Å; T190-L193 PolarHBondContact O-N 3.25Å; T190-L194 HydrophobicContact CG2-CD1 4.19Å; T190-L194 WeakPolarHBondContact O-CG 3.42Å; T190-L194 PolarHBondContact O-N 3.44Å; T190-I244 HydrophobicContact CG2-CB 3.9Å; T190-I244 HydrophobicContact CG2-CG1 3.97Å; T190-I244 HydrophobicContact CG2-CG2 3.59Å; T190-L247 WeakPolarHBondContact OG1-CB 3.43Å; T190-P248 HydrophobicContact CG2-CG 4.31Å; T190-P248 WeakPolarHBondContact OG1-CD 3.33Å |
| 191 | A | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A160 F163 I164 V187 L188 I189 L194 L195 | A160-A191 HydrophobicContact CB-CB 4.04Å; A160-A191 WeakPolarHBondContact CB-O 3.13Å; F163-A191 HydrophobicContact CB-CB 4.04Å; I164-A191 HydrophobicContact CD1-CB 4.17Å; I164-A191 HydrophobicContact CG1-CB 3.75Å; V187-A191 WeakPolarHBondContact O-CB 3.33Å; V187-A191 PolarHBondContact O-N 3.26Å; L188-A191 PolarHBondContact O-N 2.83Å; I189-A191 VanDerWaalsContact C-N 3.32Å; I189-A191 PolarHBondContact O-N 3.41Å; A191-L194 PolarHBondContact O-N 3.5Å; A191-L195 WeakPolarHBondContact O-CB 3.36Å; A191-L195 PolarHBondContact O-N 2.91Å |
| 192 | I | 98.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 21 Ų | 21 | 38% | 0.379 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -64.3 | -45 | 173.7 | -67.3 | 166.2 | 0 | 0 | 0 | 110.7 | I164 L188 I189 T190 L194 L195 L196 | I164-I192 HydrophobicContact CD1-CG1 4.09Å; I164-I192 HydrophobicContact CG1-CG1 4.31Å; L188-I192 HydrophobicContact CD1-CD1 4.4Å; L188-I192 HydrophobicContact CG-CD1 4.34Å; L188-I192 WeakPolarHBondContact O-CG1 3.44Å; L188-I192 PolarHBondContact O-N 3.35Å; L188-I192 VanDerWaalsContact O-N 3.08Å; I189-I192 WeakPolarHBondContact O-CB 3.22Å; I189-I192 PolarHBondContact O-N 2.87Å; I189-I192 VanDerWaalsContact O-N 3.13Å; T190-I192 VanDerWaalsContact C-N 3.34Å; T190-I192 PolarHBondContact O-N 2.95Å; I192-L194 VanDerWaalsContact C-N 3.35Å; I192-L194 PolarHBondContact O-N 2.87Å; I192-L195 PolarHBondContact O-N 3.46Å; I192-L196 HydrophobicContact CG2-CD1 3.87Å; I192-L196 HydrophobicContact CG2-CG 4.49Å; I192-L196 WeakPolarHBondContact O-CG 3.27Å; I192-L196 PolarHBondContact O-N 3.46Å; I192-L196 VanDerWaalsContact O-N 3.12Å |
| 193 | L | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.5 | -62.8 | -174.5 | 0 | 0 | 0 | 111.3 | I189 T190 L195 L196 S197 I244 L247 G280 F284 | I189-L193 HydrophobicContact CG2-CG 4.45Å; I189-L193 WeakPolarHBondContact O-CG 3.2Å; I189-L193 PolarHBondContact O-N 3.47Å; T190-L193 PolarHBondContact O-N 3.25Å; L193-L195 PolarHBondContact O-N 3.48Å; L193-L196 PolarHBondContact O-N 3.48Å; L193-S197 VanDerWaalsContact O-CB 3.24Å; L193-S197 WeakPolarHBondContact O-CB 3.48Å; L193-S197 PolarHBondContact O-N 3.49Å; L193-S197 PolarHBondContact O-OG 3.42Å; L193-I244 HydrophobicContact CB-CD1 3.73Å; L193-I244 HydrophobicContact CB-CG1 3.55Å; L193-I244 HydrophobicContact CD1-CG1 4.02Å; L193-I244 HydrophobicContact CG-CG1 4.42Å; L193-L247 HydrophobicContact CD1-CD1 3.7Å; L193-G280 WeakPolarHBondContact CD2-O 3.23Å; L193-F284 HydrophobicContact CD2-CD2 4.08Å; L193-F284 HydrophobicContact CD2-CE2 3.36Å; L193-F284 HydrophobicContact CD2-CZ 4.07Å |
| 194 | L | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 178.4 | -78.7 | 167.7 | 0 | 0 | 0 | 111.4 | M70 A160 T190 A191 I192 L196 L198 I244 | M70-L194 HydrophobicContact SD-CD2 4.31Å; A160-L194 HydrophobicContact CB-CB 4Å; T190-L194 HydrophobicContact CG2-CD1 4.19Å; T190-L194 WeakPolarHBondContact O-CG 3.42Å; T190-L194 PolarHBondContact O-N 3.44Å; A191-L194 PolarHBondContact O-N 3.5Å; I192-L194 VanDerWaalsContact C-N 3.35Å; I192-L194 PolarHBondContact O-N 2.87Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.3Å; L194-L198 HydrophobicContact CB-CD1 4.29Å; L194-L198 HydrophobicContact CD2-CD1 3.71Å; L194-L198 HydrophobicContact CD2-CG 4.25Å; L194-L198 WeakPolarHBondContact O-CB 3.41Å; L194-L198 WeakPolarHBondContact O-CG 3.33Å; L194-L198 PolarHBondContact O-N 3.02Å; L194-L198 VanDerWaalsContact O-N 3.16Å; L194-I244 HydrophobicContact CB-CD1 4.46Å; L194-I244 HydrophobicContact CD1-CG2 4.33Å; L194-I244 HydrophobicContact CD2-CD1 3.73Å; L194-I244 HydrophobicContact CD2-CG1 4.35Å; L194-I244 HydrophobicContact CD2-CG2 3.81Å; L194-I244 HydrophobicContact CG-CD1 3.8Å; L194-I244 HydrophobicContact CG-CG1 4.09Å; L194-I244 HydrophobicContact CG-CG2 3.96Å |
| 195 | L | 98.1 | Very high | 98.4 | Very high | 65 Ų | 65 | 23 Ų | 23 | 34% | 0.34 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62 | -36.3 | -179.1 | -176.2 | 62.9 | 0 | 0 | 0 | 112.6 | I157 I161 I164 A191 I192 L193 P199 | I157-L195 HydrophobicContact CG2-CD1 4.2Å; I161-L195 HydrophobicContact CD1-CD1 4.4Å; I161-L195 HydrophobicContact CG1-CD1 4.02Å; I164-L195 HydrophobicContact CD1-CD2 3.97Å; A191-L195 WeakPolarHBondContact O-CB 3.36Å; A191-L195 PolarHBondContact O-N 2.91Å; I192-L195 PolarHBondContact O-N 3.46Å; L193-L195 PolarHBondContact O-N 3.48Å; L195-P199 WeakPolarHBondContact O-CD 3.25Å; L195-P199 WeakPolarHBondContact O-CG 3.47Å |
| 196 | L | 98.1 | Very high | 98.4 | Very high | 98 Ų | 98 | 25 Ų | 25 | 51% | 0.513 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -87.9 | -31.1 | -176.9 | -65.9 | 177.4 | 0 | 0 | 0 | 113.6 | I192 L193 L194 F284 | I192-L196 HydrophobicContact CG2-CD1 3.87Å; I192-L196 HydrophobicContact CG2-CG 4.49Å; I192-L196 WeakPolarHBondContact O-CG 3.27Å; I192-L196 PolarHBondContact O-N 3.46Å; I192-L196 VanDerWaalsContact O-N 3.12Å; L193-L196 PolarHBondContact O-N 3.48Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.3Å; L196-F284 HydrophobicContact CB-CE1 4.23Å; L196-F284 HydrophobicContact CB-CE2 4.25Å; L196-F284 HydrophobicContact CB-CZ 3.59Å; L196-F284 HydrophobicContact CD1-CE2 4.17Å; L196-F284 HydrophobicContact CD1-CZ 4.35Å |
| 197 | S | 97.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -91.7 | -40.4 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | L193 P199 V200 | L193-S197 VanDerWaalsContact O-CB 3.24Å; L193-S197 WeakPolarHBondContact O-CB 3.48Å; L193-S197 PolarHBondContact O-N 3.49Å; L193-S197 PolarHBondContact O-OG 3.42Å; S197-P199 VanDerWaalsContact C-CD 3.48Å; S197-V200 PolarHBondContact O-N 2.9Å; S197-V200 VanDerWaalsContact O-N 3.11Å |
| 198 | L | 97.1 | Very high | 98.4 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -35.6 | -175.7 | -75.6 | 172.3 | 0 | 0 | 0 | 115 | I157 L194 V200 L201 A202 F237 | I157-L198 HydrophobicContact CD1-CB 3.98Å; I157-L198 HydrophobicContact CG1-CB 3.99Å; I157-L198 HydrophobicContact CG1-CD1 3.81Å; L194-L198 HydrophobicContact CB-CD1 4.29Å; L194-L198 HydrophobicContact CD2-CD1 3.71Å; L194-L198 HydrophobicContact CD2-CG 4.25Å; L194-L198 WeakPolarHBondContact O-CB 3.41Å; L194-L198 WeakPolarHBondContact O-CG 3.33Å; L194-L198 PolarHBondContact O-N 3.02Å; L194-L198 VanDerWaalsContact O-N 3.16Å; L198-V200 PolarHBondContact O-N 3.46Å; L198-L201 HydrophobicContact CD2-CD2 4.42Å; L198-L201 PolarHBondContact O-N 2.97Å; L198-A202 PolarHBondContact O-N 3.4Å; L198-F237 HydrophobicContact CD2-CD2 4.11Å; L198-F237 HydrophobicContact CD2-CE2 3.51Å; L198-F237 HydrophobicContact CD2-CZ 4.29Å; L198-F237 HydrophobicContact CG-CE2 4.34Å |
| 199 | P | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 27.4 Ų | 27.4 | 42% | 0.416 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58 | -32.4 | 174.9 | -27.5 | 36.7 | 0 | 0 | 0 | 113.4 | L195 S197 A202 A203 | L195-P199 WeakPolarHBondContact O-CD 3.25Å; L195-P199 WeakPolarHBondContact O-CG 3.47Å; S197-P199 VanDerWaalsContact C-CD 3.48Å; P199-A202 PolarHBondContact O-N 2.7Å; P199-A203 WeakPolarHBondContact O-CB 3.3Å; P199-A203 PolarHBondContact O-N 3.14Å |
| 200 | V | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 28 Ų | 28 | 21% | 0.206 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.3 | -41.4 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | S197 L198 A203 G204 L233 F236 | S197-V200 PolarHBondContact O-N 2.9Å; S197-V200 VanDerWaalsContact O-N 3.11Å; L198-V200 PolarHBondContact O-N 3.46Å; V200-A203 PolarHBondContact O-N 3.45Å; V200-G204 PolarHBondContact O-N 3.35Å; V200-L233 HydrophobicContact CG1-CB 4.31Å; V200-L233 HydrophobicContact CG1-CD2 3.86Å; V200-F236 HydrophobicContact CB-CD1 3.95Å; V200-F236 HydrophobicContact CG1-CB 4.33Å; V200-F236 HydrophobicContact CG1-CD1 3.85Å; V200-F236 HydrophobicContact CG1-CG 4.42Å; V200-F236 HydrophobicContact CG2-CD1 3.67Å; V200-F236 HydrophobicContact CG2-CE1 3.76Å |
| 201 | L | 98.1 | Very high | 98.4 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.3 | -51.8 | 171 | 176.8 | 67.2 | 0 | 0 | 0 | 110.6 | L198 A203 G204 I205 F234 F237 | L198-L201 HydrophobicContact CD2-CD2 4.42Å; L198-L201 PolarHBondContact O-N 2.97Å; L201-A203 VanDerWaalsContact C-N 3.27Å; L201-A203 PolarHBondContact O-N 2.86Å; L201-G204 WeakPolarHBondContact O-CA 3.3Å; L201-G204 PolarHBondContact O-N 3.33Å; L201-I205 HydrophobicContact CD1-CG2 3.87Å; L201-I205 HydrophobicContact CG-CD1 4.43Å; L201-I205 HydrophobicContact CG-CG2 4.43Å; L201-I205 WeakPolarHBondContact O-CG1 3.45Å; L201-I205 PolarHBondContact O-N 3.3Å; L201-F234 HydrophobicContact CD1-CD2 3.94Å; L201-F234 HydrophobicContact CD1-CE2 4.09Å; L201-F237 HydrophobicContact CB-CB 3.88Å; L201-F237 HydrophobicContact CB-CD1 3.86Å; L201-F237 HydrophobicContact CB-CD2 3.94Å; L201-F237 HydrophobicContact CB-CE1 4.43Å; L201-F237 HydrophobicContact CB-CG 3.59Å; L201-F237 HydrophobicContact CD1-CD1 3.77Å; L201-F237 HydrophobicContact CD1-CE1 4.1Å; L201-F237 HydrophobicContact CD1-CG 4.39Å; L201-F237 HydrophobicContact CD2-CD1 3.92Å; L201-F237 HydrophobicContact CD2-CD2 4.36Å; L201-F237 HydrophobicContact CD2-CE1 3.64Å; L201-F237 HydrophobicContact CD2-CE2 4.11Å; L201-F237 HydrophobicContact CD2-CG 4.28Å; L201-F237 HydrophobicContact CD2-CZ 3.73Å; L201-F237 HydrophobicContact CG-CD1 4.05Å; L201-F237 HydrophobicContact CG-CE1 4.26Å; L201-F237 HydrophobicContact CG-CG 4.28Å |
| 202 | A | 98.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.4 | -42.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L198 P199 T206 | L198-A202 PolarHBondContact O-N 3.4Å; P199-A202 PolarHBondContact O-N 2.7Å; A202-T206 WeakPolarHBondContact O-CB 3.5Å; A202-T206 PolarHBondContact O-N 3.24Å; A202-T206 PolarHBondContact O-OG1 3.22Å |
| 203 | A | 98.6 | Very high | 98.3 | Very high | 43 Ų | 43 | 30 Ų | 30 | 36% | 0.355 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P199 V200 L201 T206 M207 | P199-A203 WeakPolarHBondContact O-CB 3.3Å; P199-A203 PolarHBondContact O-N 3.14Å; V200-A203 PolarHBondContact O-N 3.45Å; L201-A203 VanDerWaalsContact C-N 3.27Å; L201-A203 PolarHBondContact O-N 2.86Å; A203-T206 PolarHBondContact O-N 2.85Å; A203-M207 VanDerWaalsContact C-CE 3.5Å; A203-M207 HydrophobicContact CB-CE 4.13Å; A203-M207 VanDerWaalsContact O-CE 3.27Å; A203-M207 WeakPolarHBondContact O-CE 3.14Å; A203-M207 WeakPolarHBondContact O-CG 3.32Å; A203-M207 PolarHBondContact O-N 2.84Å |
| 204 | G | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.5 | -51.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V200 L201 M207 L208 | V200-G204 PolarHBondContact O-N 3.35Å; L201-G204 WeakPolarHBondContact O-CA 3.3Å; L201-G204 PolarHBondContact O-N 3.33Å; G204-M207 PolarHBondContact O-N 3.16Å; G204-L208 PolarHBondContact O-N 3.31Å |
| 205 | I | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.2 | -25.5 | -178.9 | 66.3 | 177.2 | 0 | 0 | 0 | 112.6 | I146 L149 H150 L201 L208 L209 | I146-I205 HydrophobicContact CG1-CB 4.35Å; I146-I205 HydrophobicContact CG2-CB 4.07Å; I146-I205 HydrophobicContact CG2-CD1 4.22Å; I146-I205 HydrophobicContact CG2-CG1 4.14Å; L149-I205 HydrophobicContact CB-CD1 3.82Å; H150-I205 VanDerWaalsContact CE1-CG1 3.47Å; H150-I205 WeakPolarHBondContact CE1-CG1 3.38Å; L201-I205 HydrophobicContact CD1-CG2 3.87Å; L201-I205 HydrophobicContact CG-CD1 4.43Å; L201-I205 HydrophobicContact CG-CG2 4.43Å; L201-I205 WeakPolarHBondContact O-CG1 3.45Å; L201-I205 PolarHBondContact O-N 3.3Å; I205-L208 PolarHBondContact O-N 3.01Å; I205-L209 WeakPolarHBondContact O-CB 3.27Å; I205-L209 PolarHBondContact O-N 3.48Å |
| 206 | T | 98.7 | Very high | 98.1 | Very high | 60 Ų | 60 | 42 Ų | 42 | 37% | 0.368 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.7 | -45.8 | 170.1 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | H150 A202 A203 L208 L209 T210 | H150-T206 PolarHBondContact NE2-OG1 2.81Å; A202-T206 WeakPolarHBondContact O-CB 3.5Å; A202-T206 PolarHBondContact O-N 3.24Å; A202-T206 PolarHBondContact O-OG1 3.22Å; A203-T206 PolarHBondContact O-N 2.85Å; T206-L208 PolarHBondContact O-N 2.91Å; T206-L209 WeakPolarHBondContact O-CB 3.24Å; T206-L209 PolarHBondContact O-N 2.9Å; T206-L209 VanDerWaalsContact O-N 3.08Å; T206-T210 WeakPolarHBondContact O-CG2 3.5Å; T206-T210 PolarHBondContact O-N 3.17Å |
| 207 | M | 98.7 | Very high | 98.1 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 18% | 0.177 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -39.5 | 173.9 | -75.5 | -178 | -82.4 | 0 | 0 | 111.2 | A203 G204 T210 D211 F218 F219 L233 | A203-M207 VanDerWaalsContact C-CE 3.5Å; A203-M207 HydrophobicContact CB-CE 4.13Å; A203-M207 VanDerWaalsContact O-CE 3.27Å; A203-M207 WeakPolarHBondContact O-CE 3.14Å; A203-M207 WeakPolarHBondContact O-CG 3.32Å; A203-M207 PolarHBondContact O-N 2.84Å; G204-M207 PolarHBondContact O-N 3.16Å; M207-T210 PolarHBondContact O-N 3.04Å; M207-T210 PolarHBondContact O-OG1 2.88Å; M207-D211 PolarHBondContact O-N 3.49Å; M207-F218 HydrophobicContact CB-CB 4.2Å; M207-F218 HydrophobicContact CB-CD2 3.68Å; M207-F218 HydrophobicContact CB-CE2 4.16Å; M207-F218 HydrophobicContact CB-CG 3.89Å; M207-F218 HydrophobicContact CG-CD1 4.04Å; M207-F218 HydrophobicContact CG-CD2 3.75Å; M207-F218 HydrophobicContact CG-CE1 4.08Å; M207-F218 HydrophobicContact CG-CE2 3.8Å; M207-F218 HydrophobicContact CG-CG 3.89Å; M207-F218 HydrophobicContact CG-CZ 3.96Å; M207-F218 HydrophobicContact SD-CD1 3.61Å; M207-F218 HydrophobicContact SD-CD2 4.4Å; M207-F218 HydrophobicContact SD-CE1 3.79Å; M207-F218 HydrophobicContact SD-CG 3.94Å; M207-F218 HydrophobicContact SD-CZ 4.28Å; M207-F219 HydrophobicContact CB-CE2 3.66Å; M207-F219 HydrophobicContact CB-CZ 3.68Å; M207-F219 HydrophobicContact CE-CZ 4.48Å; M207-F219 HydrophobicContact SD-CZ 4.42Å; M207-L233 HydrophobicContact CE-CD1 3.35Å |
| 208 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.7 | 179.9 | 62.2 | 0 | 0 | 0 | 111.2 | V127 P129 A132 I146 G204 I205 T206 T210 D211 R212 F219 Y230 | V127-L208 HydrophobicContact CG1-CD2 3.84Å; P129-L208 HydrophobicContact CB-CD1 4.09Å; P129-L208 HydrophobicContact CG-CD1 4.38Å; A132-L208 HydrophobicContact CB-CD1 4.44Å; A132-L208 HydrophobicContact CB-CD2 3.9Å; I146-L208 HydrophobicContact CD1-CD2 4.17Å; I146-L208 HydrophobicContact CD1-CG 4.22Å; G204-L208 PolarHBondContact O-N 3.31Å; I205-L208 PolarHBondContact O-N 3.01Å; T206-L208 PolarHBondContact O-N 2.91Å; L208-T210 VanDerWaalsContact C-N 3.31Å; L208-T210 PolarHBondContact O-N 3.11Å; L208-D211 PolarHBondContact O-N 2.9Å; L208-R212 VanDerWaalsContact O-CG 3.27Å; L208-R212 WeakPolarHBondContact O-CG 3.45Å; L208-R212 PolarHBondContact O-N 3.15Å; L208-F219 HydrophobicContact CB-CD2 4.32Å; L208-F219 HydrophobicContact CB-CE2 3.99Å; L208-F219 HydrophobicContact CD1-CD2 4.28Å; L208-Y230 HydrophobicContact CB-CE2 4.17Å; L208-Y230 HydrophobicContact CD2-CE2 3.95Å |
| 209 | L | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 176.3 | -170.9 | 69.3 | 0 | 0 | 0 | 111.8 | D143 I146 F147 I205 T206 R212 N213 | D143-L209 HydrophobicContact CB-CD1 3.9Å; D143-L209 WeakPolarHBondContact OD1-CD1 3.33Å; I146-L209 HydrophobicContact CB-CD1 4.48Å; I146-L209 HydrophobicContact CD1-CB 4.15Å; I146-L209 HydrophobicContact CD1-CD1 4.11Å; I146-L209 HydrophobicContact CG2-CB 4.22Å; I146-L209 HydrophobicContact CG2-CD1 4.33Å; I146-L209 HydrophobicContact CG2-CD2 4.33Å; F147-L209 HydrophobicContact CE1-CD2 3.91Å; F147-L209 HydrophobicContact CZ-CD2 3.93Å; I205-L209 WeakPolarHBondContact O-CB 3.27Å; I205-L209 PolarHBondContact O-N 3.48Å; T206-L209 WeakPolarHBondContact O-CB 3.24Å; T206-L209 PolarHBondContact O-N 2.9Å; T206-L209 VanDerWaalsContact O-N 3.08Å; L209-R212 PolarHBondContact O-N 3.46Å; L209-N213 WeakPolarHBondContact CD1-ND2 3.27Å; L209-N213 WeakPolarHBondContact O-CB 2.9Å; L209-N213 PolarHBondContact O-N 3.41Å; L209-N213 PolarHBondContact O-ND2 3.34Å |
| 210 | T | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 17% | 0.166 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.4 | -34.7 | 176.4 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | T206 M207 L208 R212 N213 L214 N215 T216 | T206-T210 WeakPolarHBondContact O-CG2 3.5Å; T206-T210 PolarHBondContact O-N 3.17Å; M207-T210 PolarHBondContact O-N 3.04Å; M207-T210 PolarHBondContact O-OG1 2.88Å; L208-T210 VanDerWaalsContact C-N 3.31Å; L208-T210 PolarHBondContact O-N 3.11Å; T210-R212 PolarHBondContact O-N 3.04Å; T210-N213 PolarHBondContact O-N 2.85Å; T210-L214 HydrophobicContact CG2-CD1 3.86Å; T210-L214 CarbonylContact O-C 3.54Å; T210-L214 WeakPolarHBondContact O-CA 2.84Å; T210-L214 PolarHBondContact O-N 2.98Å; T210-N215 PolarHBondContact O-N 2.97Å; T210-T216 VanDerWaalsContact CB-OG1 3.31Å; T210-T216 WeakPolarHBondContact CB-OG1 3.4Å; T210-T216 PolarHBondContact O-N 2.99Å; T210-T216 PolarHBondContact O-OG1 3.45Å; T210-T216 PolarHBondContact OG1-OG1 3.12Å |
| 211 | D | 98.3 | Very high | 98 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 173.2 | -85.1 | 15.8 | 0 | 0 | 0 | 110.7 | M207 L208 T216 T217 F218 F219 | M207-D211 PolarHBondContact O-N 3.49Å; L208-D211 PolarHBondContact O-N 2.9Å; D211-T216 WeakPolarHBondContact CA-O 3.41Å; D211-T216 VanDerWaalsContact CA-OG1 3.32Å; D211-T216 WeakPolarHBondContact CA-OG1 3.44Å; D211-T216 PolarHBondContact N-OG1 3.32Å; D211-T216 WeakPolarHBondContact OD1-CB 3.47Å; D211-T216 VanDerWaalsContact OD1-O 3.11Å; D211-T216 PolarHBondContact OD1-OG1 3.13Å; D211-T217 PolarHBondContact OD1-N 3.46Å; D211-T217 VanDerWaalsContact OD1-N 3.14Å; D211-F218 VanDerWaalsContact CG-N 3.32Å; D211-F218 WeakPolarHBondContact OD1-CD2 3.42Å; D211-F218 PolarHBondContact OD1-N 3.37Å; D211-F218 PolarHBondContact OD2-N 3.07Å; D211-F219 PolarHBondContact OD2-N 2.96Å |
| 212 | R | 97.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.4 | -45 | 174.2 | -68.2 | 174.4 | 62.1 | 67.5 | 14.9 | 112.6 | A132 G133 N134 H137 G139 D143 L208 L209 T210 | A132-R212 WeakPolarHBondContact O-CD 3.1Å; A132-R212 PolarHBondContact O-NH1 3.4Å; G133-R212 VanDerWaalsContact C-NH1 3.32Å; G133-R212 PolarHBondContact O-NH1 3.18Å; N134-R212 PolarHBondContact ND2-O 2.91Å; N134-R212 PolarHBondContact OD1-NH1 2.91Å; N134-R212 PolarHBondContact OD1-NH2 3.19Å; N134-R212 VanDerWaalsContact OD1-NH2 3.11Å; H137-R212 PolarHBondContact O-NH1 3.18Å; H137-R212 PolarHBondContact O-NH2 3.41Å; G139-R212 PolarHBondContact O-NH2 2.9Å; D143-R212 IonicContact OD1-CZ 3.35Å; D143-R212 IonicContact OD1-NE 3.34Å; D143-R212 PolarHBondContact OD1-NE 3.08Å; D143-R212 IonicContact OD1-NH2 2.98Å; D143-R212 IonicContact OD2-NH2 2.82Å; L208-R212 VanDerWaalsContact O-CG 3.27Å; L208-R212 WeakPolarHBondContact O-CG 3.45Å; L208-R212 PolarHBondContact O-N 3.15Å; L209-R212 PolarHBondContact O-N 3.46Å; T210-R212 PolarHBondContact O-N 3.04Å |
| 213 | N | 98.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -113.1 | -18.6 | -162.5 | -65.6 | -75 | 0 | 0 | 0 | 115.3 | D143 L209 T210 | D143-N213 PolarHBondContact OD1-ND2 3.04Å; L209-N213 WeakPolarHBondContact CD1-ND2 3.27Å; L209-N213 WeakPolarHBondContact O-CB 2.9Å; L209-N213 PolarHBondContact O-N 3.41Å; L209-N213 PolarHBondContact O-ND2 3.34Å; T210-N213 PolarHBondContact O-N 2.85Å |
| 214 | L | 97.8 | Very high | 97.5 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 64% | 0.639 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -123.2 | 14.9 | -172 | -57.7 | -177.6 | 0 | 0 | 0 | 113.4 | T210 T216 | T210-L214 HydrophobicContact CG2-CD1 3.86Å; T210-L214 CarbonylContact O-C 3.54Å; T210-L214 WeakPolarHBondContact O-CA 2.84Å; T210-L214 PolarHBondContact O-N 2.98Å; L214-T216 PolarHBondContact O-N 2.64Å |
| 215 | N | 96 | Very high | 97.5 | Very high | 154 Ų | 154 | 52.4 Ų | 52.4 | 82% | 0.824 | 33% | 0.329 | S | S | * | . | trans | 54.6 | 32.3 | 179.8 | -58.3 | -45.6 | 0 | 0 | 0 | 113.8 | T210 | T210-N215 PolarHBondContact O-N 2.97Š| ||
| 216 | T | 98 | Very high | 97.4 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | trans | -78.3 | 166.4 | 165 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | T210 D211 L214 F218 | T210-T216 VanDerWaalsContact CB-OG1 3.31Å; T210-T216 WeakPolarHBondContact CB-OG1 3.4Å; T210-T216 PolarHBondContact O-N 2.99Å; T210-T216 PolarHBondContact O-OG1 3.45Å; T210-T216 PolarHBondContact OG1-OG1 3.12Å; D211-T216 WeakPolarHBondContact CA-O 3.41Å; D211-T216 VanDerWaalsContact CA-OG1 3.32Å; D211-T216 WeakPolarHBondContact CA-OG1 3.44Å; D211-T216 PolarHBondContact N-OG1 3.32Å; D211-T216 WeakPolarHBondContact OD1-CB 3.47Å; D211-T216 VanDerWaalsContact OD1-O 3.11Å; D211-T216 PolarHBondContact OD1-OG1 3.13Å; L214-T216 PolarHBondContact O-N 2.64Å; T216-F218 HydrophobicContact CG2-CE2 4.3Å | ||
| 217 | T | 97.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | trans | -138.4 | 51.3 | -176.4 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | D211 D220 G223 G225 | D211-T217 PolarHBondContact OD1-N 3.46Å; D211-T217 VanDerWaalsContact OD1-N 3.14Å; T217-D220 HydrophobicContact CG2-CB 4.48Å; T217-G223 PolarHBondContact OG1-O 3.27Å; T217-G225 VanDerWaalsContact O-CA 3.28Å; T217-G225 WeakPolarHBondContact O-CA 3.37Å; T217-G225 PolarHBondContact O-N 3Å | ||
| 218 | F | 98.4 | Very high | 97.3 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -64.8 | -40.6 | 176 | -72.6 | -75.7 | 0 | 0 | 0 | 112.1 | M207 D211 T216 G225 D226 | M207-F218 HydrophobicContact CB-CB 4.2Å; M207-F218 HydrophobicContact CB-CD2 3.68Å; M207-F218 HydrophobicContact CB-CE2 4.16Å; M207-F218 HydrophobicContact CB-CG 3.89Å; M207-F218 HydrophobicContact CG-CD1 4.04Å; M207-F218 HydrophobicContact CG-CD2 3.75Å; M207-F218 HydrophobicContact CG-CE1 4.08Å; M207-F218 HydrophobicContact CG-CE2 3.8Å; M207-F218 HydrophobicContact CG-CG 3.89Å; M207-F218 HydrophobicContact CG-CZ 3.96Å; M207-F218 HydrophobicContact SD-CD1 3.61Å; M207-F218 HydrophobicContact SD-CD2 4.4Å; M207-F218 HydrophobicContact SD-CE1 3.79Å; M207-F218 HydrophobicContact SD-CG 3.94Å; M207-F218 HydrophobicContact SD-CZ 4.28Å; D211-F218 VanDerWaalsContact CG-N 3.32Å; D211-F218 WeakPolarHBondContact OD1-CD2 3.42Å; D211-F218 PolarHBondContact OD1-N 3.37Å; D211-F218 PolarHBondContact OD2-N 3.07Å; T216-F218 HydrophobicContact CG2-CE2 4.3Å; F218-G225 CarbonylContact O-C 3.6Å; F218-G225 WeakPolarHBondContact O-CA 3.41Å; F218-D226 PolarHBondContact O-N 3.48Å; F218-D226 VanDerWaalsContact O-N 3.08Å |
| 219 | F | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -118.8 | -5.2 | -173.2 | -48.3 | -54.7 | 0 | 0 | 0 | 113.6 | P129 M207 L208 D211 P221 P227 L229 Y230 L233 | P129-F219 HydrophobicContact CB-CB 3.88Å; P129-F219 HydrophobicContact CG-CB 3.56Å; P129-F219 HydrophobicContact CG-CD2 4Å; P129-F219 HydrophobicContact CG-CG 3.81Å; M207-F219 HydrophobicContact CB-CE2 3.66Å; M207-F219 HydrophobicContact CB-CZ 3.68Å; M207-F219 HydrophobicContact CE-CZ 4.48Å; M207-F219 HydrophobicContact SD-CZ 4.42Å; L208-F219 HydrophobicContact CB-CD2 4.32Å; L208-F219 HydrophobicContact CB-CE2 3.99Å; L208-F219 HydrophobicContact CD1-CD2 4.28Å; D211-F219 PolarHBondContact OD2-N 2.96Å; F219-P221 VanDerWaalsContact O-CD 3.31Å; F219-P221 WeakPolarHBondContact O-CD 3.28Å; F219-P227 VanDerWaalsContact O-CD 3.23Å; F219-P227 WeakPolarHBondContact O-CD 3.13Å; F219-P227 VanDerWaalsContact O-CG 3.3Å; F219-P227 WeakPolarHBondContact O-CG 3.41Å; F219-L229 HydrophobicContact CD1-CB 4.41Å; F219-L229 HydrophobicContact CE1-CB 4.33Å; F219-L229 HydrophobicContact CE1-CD2 4.16Å; F219-L229 HydrophobicContact CE1-CG 4.11Å; F219-Y230 HydrophobicContact CD2-CD2 4.1Å; F219-Y230 HydrophobicContact CE1-CD2 4.25Å; F219-Y230 HydrophobicContact CE1-CG 4.47Å; F219-Y230 AromaticContact CE2-CD2 3.62Å; F219-Y230 HydrophobicContact CE2-CD2 3.62Å; F219-Y230 HydrophobicContact CE2-CE2 4.48Å; F219-Y230 HydrophobicContact CE2-CG 4.48Å; F219-Y230 AromaticContact CZ-CD2 3.7Å; F219-Y230 HydrophobicContact CZ-CD2 3.7Å; F219-Y230 HydrophobicContact CZ-CG 4.36Å; F219-L233 HydrophobicContact CE1-CD1 4.27Å; F219-L233 HydrophobicContact CZ-CD1 4.27Å |
| 220 | D | 96.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | trans | -86.2 | 112.7 | 177.2 | -175 | -3.6 | 0 | 0 | 0 | 111.4 | T217 A222 G223 G224 G225 | T217-D220 HydrophobicContact CG2-CB 4.48Å; D220-A222 PolarHBondContact O-N 3.39Å; D220-A222 WeakPolarHBondContact OD1-CB 3.37Å; D220-A222 PolarHBondContact OD1-N 3.36Å; D220-G223 PolarHBondContact O-N 2.97Å; D220-G224 PolarHBondContact O-N 3.2Å; D220-G225 WeakPolarHBondContact O-CA 3.4Å; D220-G225 PolarHBondContact O-N 3.21Å | ||
| 221 | P | 95.7 | Very high | 97.3 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -59 | -27.5 | 177.4 | -24 | 35.6 | 0 | 0 | 0 | 114.3 | F219 G223 G224 G225 P227 | F219-P221 VanDerWaalsContact O-CD 3.31Å; F219-P221 WeakPolarHBondContact O-CD 3.28Å; P221-G223 PolarHBondContact O-N 2.71Å; P221-G224 PolarHBondContact O-N 2.87Å; P221-G224 VanDerWaalsContact O-N 3.08Å; P221-G225 WeakPolarHBondContact CA-O 3.3Å; P221-P227 HydrophobicContact CG-CG 4.09Å |
| 222 | A | 94.6 | Very high | 97.4 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 77% | 0.769 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65.1 | -26.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D220 | D220-A222 PolarHBondContact O-N 3.39Å; D220-A222 WeakPolarHBondContact OD1-CB 3.37Å; D220-A222 PolarHBondContact OD1-N 3.36Å |
| 223 | G | 94.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -100.8 | 9.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T217 D220 P221 | T217-G223 PolarHBondContact OG1-O 3.27Å; D220-G223 PolarHBondContact O-N 2.97Å; P221-G223 PolarHBondContact O-N 2.71Å |
| 224 | G | 96.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 73% | 0.732 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 8.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | D220 P221 | D220-G224 PolarHBondContact O-N 3.2Å; P221-G224 PolarHBondContact O-N 2.87Å; P221-G224 VanDerWaalsContact O-N 3.08Å |
| 225 | G | 97.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 52 Ų | 52 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | trans | -77.2 | 170.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T217 F218 D220 P221 | T217-G225 VanDerWaalsContact O-CA 3.28Å; T217-G225 WeakPolarHBondContact O-CA 3.37Å; T217-G225 PolarHBondContact O-N 3Å; F218-G225 CarbonylContact O-C 3.6Å; F218-G225 WeakPolarHBondContact O-CA 3.41Å; D220-G225 WeakPolarHBondContact O-CA 3.4Å; D220-G225 PolarHBondContact O-N 3.21Å; P221-G225 WeakPolarHBondContact CA-O 3.3Å | ||
| 226 | D | 97.9 | Very high | 97.6 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | trans | -133.9 | 114.2 | -179 | -176.4 | 4 | 0 | 0 | 0 | 111.9 | F218 I228 L229 | F218-D226 PolarHBondContact O-N 3.48Å; F218-D226 VanDerWaalsContact O-N 3.08Å; D226-I228 PolarHBondContact O-N 3.07Å; D226-I228 VanDerWaalsContact OD1-CB 3.32Å; D226-I228 WeakPolarHBondContact OD1-CB 3.48Å; D226-I228 PolarHBondContact OD1-N 2.84Å; D226-L229 HydrophobicContact CB-CB 4.32Å; D226-L229 VanDerWaalsContact O-CB 3.25Å; D226-L229 WeakPolarHBondContact O-CB 3.47Å; D226-L229 PolarHBondContact O-N 3.5Å | ||
| 227 | P | 97.5 | Very high | 97.6 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 17% | 0.169 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -26 | 172.9 | -24.1 | 32.8 | 0 | 0 | 0 | 114.2 | F219 P221 L229 Y230 Q231 | F219-P227 VanDerWaalsContact O-CD 3.23Å; F219-P227 WeakPolarHBondContact O-CD 3.13Å; F219-P227 VanDerWaalsContact O-CG 3.3Å; F219-P227 WeakPolarHBondContact O-CG 3.41Å; P221-P227 HydrophobicContact CG-CG 4.09Å; P227-L229 VanDerWaalsContact C-N 3.3Å; P227-Y230 WeakPolarHBondContact O-CB 3.5Å; P227-Y230 PolarHBondContact O-N 3.22Å; P227-Q231 PolarHBondContact O-N 3.49Å |
| 228 | I | 98.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.2 | -30.1 | 177.4 | -57.7 | 177.2 | 0 | 0 | 0 | 110.6 | D226 Y230 Q231 H232 M291 V294 | D226-I228 PolarHBondContact O-N 3.07Å; D226-I228 VanDerWaalsContact OD1-CB 3.32Å; D226-I228 WeakPolarHBondContact OD1-CB 3.48Å; D226-I228 PolarHBondContact OD1-N 2.84Å; I228-Y230 VanDerWaalsContact C-N 3.28Å; I228-Y230 PolarHBondContact O-N 2.88Å; I228-Q231 WeakPolarHBondContact O-CB 3.37Å; I228-Q231 PolarHBondContact O-N 3.35Å; I228-H232 PolarHBondContact O-CD2 3.4Å; I228-H232 VanDerWaalsContact O-CD2 3.3Å; I228-H232 PolarHBondContact O-N 3.5Å; I228-M291 HydrophobicContact CG2-CE 3.78Å; I228-V294 HydrophobicContact CD1-CB 4.44Å; I228-V294 HydrophobicContact CG2-CG2 4.21Å |
| 229 | L | 98.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.5 | -43.6 | 170.8 | 177.2 | 62.4 | 0 | 0 | 0 | 111 | F219 D226 P227 Q231 H232 L233 | F219-L229 HydrophobicContact CD1-CB 4.41Å; F219-L229 HydrophobicContact CE1-CB 4.33Å; F219-L229 HydrophobicContact CE1-CD2 4.16Å; F219-L229 HydrophobicContact CE1-CG 4.11Å; D226-L229 HydrophobicContact CB-CB 4.32Å; D226-L229 VanDerWaalsContact O-CB 3.25Å; D226-L229 WeakPolarHBondContact O-CB 3.47Å; D226-L229 PolarHBondContact O-N 3.5Å; P227-L229 VanDerWaalsContact C-N 3.3Å; L229-Q231 VanDerWaalsContact C-N 3.29Å; L229-Q231 PolarHBondContact O-N 2.95Å; L229-H232 PolarHBondContact O-N 2.99Å; L229-L233 HydrophobicContact CD1-CD1 4.39Å; L229-L233 HydrophobicContact CD1-CG 4.37Å; L229-L233 HydrophobicContact CG-CD1 4.15Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.9Å |
| 230 | Y | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 175.2 | -176.5 | -81.7 | 0 | 0 | 0 | 111 | T126 V127 Y128 P129 L208 F219 P227 I228 H232 L233 F234 | T126-Y230 WeakPolarHBondContact O-CE1 3.18Å; T126-Y230 PolarHBondContact O-OH 3.4Å; V127-Y230 PolarHBondContact O-OH 3.44Å; Y128-Y230 AromaticContact CD1-CD1 3.59Å; Y128-Y230 HydrophobicContact CD1-CD1 3.59Å; Y128-Y230 AromaticContact CD1-CE1 3.61Å; Y128-Y230 HydrophobicContact CD1-CE1 3.61Å; Y128-Y230 HydrophobicContact CE1-CD1 4.11Å; Y128-Y230 HydrophobicContact CE1-CE1 4.12Å; P129-Y230 VanDerWaalsContact CD-CG 3.41Å; P129-Y230 HydrophobicContact CG-CD1 4.44Å; P129-Y230 HydrophobicContact CG-CD2 4.15Å; P129-Y230 HydrophobicContact CG-CG 3.84Å; L208-Y230 HydrophobicContact CB-CE2 4.17Å; L208-Y230 HydrophobicContact CD2-CE2 3.95Å; F219-Y230 HydrophobicContact CD2-CD2 4.1Å; F219-Y230 HydrophobicContact CE1-CD2 4.25Å; F219-Y230 HydrophobicContact CE1-CG 4.47Å; F219-Y230 AromaticContact CE2-CD2 3.62Å; F219-Y230 HydrophobicContact CE2-CD2 3.62Å; F219-Y230 HydrophobicContact CE2-CE2 4.48Å; F219-Y230 HydrophobicContact CE2-CG 4.48Å; F219-Y230 AromaticContact CZ-CD2 3.7Å; F219-Y230 HydrophobicContact CZ-CD2 3.7Å; F219-Y230 HydrophobicContact CZ-CG 4.36Å; P227-Y230 WeakPolarHBondContact O-CB 3.5Å; P227-Y230 PolarHBondContact O-N 3.22Å; I228-Y230 VanDerWaalsContact C-N 3.28Å; I228-Y230 PolarHBondContact O-N 2.88Å; Y230-H232 PolarHBondContact O-N 3.31Å; Y230-L233 PolarHBondContact O-N 3.24Å; Y230-F234 HydrophobicContact CD1-CB 4.17Å; Y230-F234 HydrophobicContact CE1-CB 3.81Å; Y230-F234 HydrophobicContact CE1-CD2 4.05Å; Y230-F234 HydrophobicContact CE1-CG 4.15Å; Y230-F234 VanDerWaalsContact O-CB 3.26Å; Y230-F234 WeakPolarHBondContact O-CB 3.35Å; Y230-F234 PolarHBondContact O-N 3.02Å |
| 231 | Q | 98.5 | Very high | 97.5 | Very high | 35 Ų | 35 | 36 Ų | 36 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.7 | -61.9 | -165.1 | 33.2 | 0 | 0 | 112.3 | Y128 P227 I228 L229 F234 W235 M291 | Y128-Q231 HydrophobicContact CD1-CG 4.2Å; Y128-Q231 HydrophobicContact CE1-CB 4.46Å; Y128-Q231 HydrophobicContact CE1-CG 3.82Å; Y128-Q231 HydrophobicContact CE2-CG 4.29Å; P227-Q231 PolarHBondContact O-N 3.49Å; I228-Q231 WeakPolarHBondContact O-CB 3.37Å; I228-Q231 PolarHBondContact O-N 3.35Å; L229-Q231 VanDerWaalsContact C-N 3.29Å; L229-Q231 PolarHBondContact O-N 2.95Å; Q231-F234 PolarHBondContact O-N 2.87Å; Q231-W235 WeakPolarHBondContact O-CB 3.49Å; Q231-W235 VanDerWaalsContact O-CD1 3.23Å; Q231-W235 PolarHBondContact O-N 2.74Å; Q231-M291 HydrophobicContact CB-CE 3.61Å; Q231-M291 HydrophobicContact CB-CG 4.42Å; Q231-M291 HydrophobicContact CB-SD 4.07Å |
| 232 | H | 98.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 33.4 Ų | 33.4 | 31% | 0.306 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -48.9 | 174.8 | -80.5 | -76.7 | 0 | 0 | 0 | 111.6 | I228 L229 Y230 F236 W287 M291 | I228-H232 PolarHBondContact O-CD2 3.4Å; I228-H232 VanDerWaalsContact O-CD2 3.3Å; I228-H232 PolarHBondContact O-N 3.5Å; L229-H232 PolarHBondContact O-N 2.99Å; Y230-H232 PolarHBondContact O-N 3.31Å; H232-F236 WeakPolarHBondContact O-CB 3.31Å; H232-F236 PolarHBondContact O-N 3.44Å; H232-W287 AromaticContact ND1-NE1 3.55Å; H232-M291 VanDerWaalsContact CD2-CE 3.46Å; H232-M291 WeakPolarHBondContact CD2-CE 3.21Å; H232-M291 WeakPolarHBondContact NE2-CE 3.28Å |
| 233 | L | 98.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 18% | 0.183 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -46 | 180 | -65.9 | 170.3 | 0 | 0 | 0 | 111.7 | V200 M207 F219 L229 Y230 F237 | V200-L233 HydrophobicContact CG1-CB 4.31Å; V200-L233 HydrophobicContact CG1-CD2 3.86Å; M207-L233 HydrophobicContact CE-CD1 3.35Å; F219-L233 HydrophobicContact CE1-CD1 4.27Å; F219-L233 HydrophobicContact CZ-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CD1 4.39Å; L229-L233 HydrophobicContact CD1-CG 4.37Å; L229-L233 HydrophobicContact CG-CD1 4.15Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.9Å; Y230-L233 PolarHBondContact O-N 3.24Å; L233-F237 PolarHBondContact O-N 2.93Å |
| 234 | F | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | 179.8 | -175.6 | -87.6 | 0 | 0 | 0 | 111.1 | W125 T126 Y128 L201 Y230 Q231 F237 G238 | W125-F234 HydrophobicContact CD2-CZ 4.34Å; W125-F234 HydrophobicContact CE3-CE1 4.45Å; W125-F234 AromaticContact CE3-CZ 3.75Å; W125-F234 HydrophobicContact CE3-CZ 3.75Å; W125-F234 AromaticContact CH2-CE1 3.93Å; W125-F234 HydrophobicContact CH2-CE1 3.93Å; W125-F234 AromaticContact CH2-CZ 3.97Å; W125-F234 HydrophobicContact CH2-CZ 3.97Å; W125-F234 HydrophobicContact CZ2-CE1 4.33Å; W125-F234 HydrophobicContact CZ3-CE1 4.01Å; W125-F234 AromaticContact CZ3-CZ 3.55Å; W125-F234 HydrophobicContact CZ3-CZ 3.55Å; T126-F234 HydrophobicContact CG2-CD1 4.33Å; T126-F234 HydrophobicContact CG2-CE1 3.71Å; T126-F234 HydrophobicContact CG2-CZ 4.09Å; Y128-F234 HydrophobicContact CE1-CD1 4.47Å; L201-F234 HydrophobicContact CD1-CD2 3.94Å; L201-F234 HydrophobicContact CD1-CE2 4.09Å; Y230-F234 HydrophobicContact CD1-CB 4.17Å; Y230-F234 HydrophobicContact CE1-CB 3.81Å; Y230-F234 HydrophobicContact CE1-CD2 4.05Å; Y230-F234 HydrophobicContact CE1-CG 4.15Å; Y230-F234 VanDerWaalsContact O-CB 3.26Å; Y230-F234 WeakPolarHBondContact O-CB 3.35Å; Y230-F234 PolarHBondContact O-N 3.02Å; Q231-F234 PolarHBondContact O-N 2.87Å; F234-F237 CarbonylContact O-C 3.57Å; F234-F237 WeakPolarHBondContact O-CB 3.14Å; F234-F237 PolarHBondContact O-N 3.49Å; F234-G238 WeakPolarHBondContact O-CA 3.4Å; F234-G238 PolarHBondContact O-N 3.05Å |
| 235 | W | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 4% | 0.038 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -76.6 | -29.1 | -177.4 | -73.1 | 126.8 | 0 | 0 | 0 | 113.7 | W125 T126 Y128 Q231 F237 G238 H239 W287 H290 | W125-W235 HydrophobicContact CH2-CH2 4.35Å; W125-W235 HydrophobicContact CH2-CZ3 4.07Å; W125-W235 AromaticContact CZ2-CH2 3.77Å; W125-W235 HydrophobicContact CZ2-CH2 3.77Å; W125-W235 AromaticContact CZ2-CZ3 3.92Å; W125-W235 HydrophobicContact CZ2-CZ3 3.92Å; T126-W235 HydrophobicContact CG2-CH2 4.15Å; T126-W235 HydrophobicContact CG2-CZ2 3.96Å; Y128-W235 AromaticContact CZ-NE1 3.95Å; Y128-W235 WeakPolarHBondContact OH-CZ2 3.44Å; Y128-W235 PolarHBondContact OH-NE1 2.84Å; Q231-W235 WeakPolarHBondContact O-CB 3.49Å; Q231-W235 VanDerWaalsContact O-CD1 3.23Å; Q231-W235 PolarHBondContact O-N 2.74Å; W235-F237 PolarHBondContact O-N 3.26Å; W235-G238 PolarHBondContact O-N 3Å; W235-H239 PolarHBondContact O-N 3.24Å; W235-W287 HydrophobicContact CB-CB 4.26Å; W235-W287 VanDerWaalsContact O-CB 3.27Å; W235-W287 WeakPolarHBondContact O-CB 3.24Å; W235-H290 HydrophobicContact CD2-CB 3.4Å; W235-H290 VanDerWaalsContact CD2-CB 3.4Å; W235-H290 AromaticContact CD2-CD2 3.55Å; W235-H290 AromaticContact CD2-CG 3.55Å; W235-H290 AromaticContact CE2-CG 3.75Å; W235-H290 HydrophobicContact CE3-CB 3.97Å; W235-H290 AromaticContact CE3-CD2 3.24Å; W235-H290 AromaticContact CE3-CG 3.55Å; W235-H290 AromaticContact CE3-NE2 3.64Å; W235-H290 HydrophobicContact CG-CB 3.67Å; W235-H290 HydrophobicContact CH2-CB 4.31Å; W235-H290 AromaticContact CH2-CG 4Å; W235-H290 AromaticContact CH2-ND1 3.89Å; W235-H290 HydrophobicContact CZ2-CB 3.79Å; W235-H290 AromaticContact CZ2-CG 3.99Å; W235-H290 HydrophobicContact CZ3-CB 4.38Å; W235-H290 AromaticContact CZ3-CD2 3.71Å; W235-H290 AromaticContact CZ3-CE1 3.81Å; W235-H290 AromaticContact CZ3-CG 3.78Å; W235-H290 AromaticContact CZ3-ND1 3.85Å; W235-H290 AromaticContact CZ3-NE2 3.71Å |
| 236 | F | 98.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 25 Ų | 25 | 26% | 0.263 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -57 | -34.7 | 169.9 | -175 | -87.1 | 0 | 0 | 0 | 111.2 | V200 H232 P240 F284 W287 | V200-F236 HydrophobicContact CB-CD1 3.95Å; V200-F236 HydrophobicContact CG1-CB 4.33Å; V200-F236 HydrophobicContact CG1-CD1 3.85Å; V200-F236 HydrophobicContact CG1-CG 4.42Å; V200-F236 HydrophobicContact CG2-CD1 3.67Å; V200-F236 HydrophobicContact CG2-CE1 3.76Å; H232-F236 WeakPolarHBondContact O-CB 3.31Å; H232-F236 PolarHBondContact O-N 3.44Å; F236-P240 WeakPolarHBondContact O-CD 3.29Å; F236-P240 WeakPolarHBondContact O-CG 3.38Å; F236-F284 AromaticContact CE1-CD1 3.97Å; F236-F284 HydrophobicContact CE1-CD1 3.97Å; F236-F284 HydrophobicContact CE1-CE1 4.1Å; F236-F284 HydrophobicContact CE2-CD1 4.32Å; F236-F284 AromaticContact CZ-CD1 3.74Å; F236-F284 HydrophobicContact CZ-CD1 3.74Å; F236-F284 HydrophobicContact CZ-CE1 4.29Å; F236-W287 HydrophobicContact CB-CG 4.37Å; F236-W287 HydrophobicContact CD2-CD2 4.07Å; F236-W287 HydrophobicContact CD2-CE3 4.05Å; F236-W287 HydrophobicContact CD2-CZ3 4.33Å; F236-W287 HydrophobicContact CE2-CZ3 4.49Å |
| 237 | F | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -76.8 | -50 | 165.7 | 154.5 | -101.7 | 0 | 0 | 0 | 112.5 | F66 L198 L201 L233 F234 W235 H239 P240 E241 | F66-F237 HydrophobicContact CE1-CZ 4.02Å; F66-F237 HydrophobicContact CZ-CE1 4.2Å; F66-F237 AromaticContact CZ-CZ 3.9Å; F66-F237 HydrophobicContact CZ-CZ 3.9Å; L198-F237 HydrophobicContact CD2-CD2 4.11Å; L198-F237 HydrophobicContact CD2-CE2 3.51Å; L198-F237 HydrophobicContact CD2-CZ 4.29Å; L198-F237 HydrophobicContact CG-CE2 4.34Å; L201-F237 HydrophobicContact CB-CB 3.88Å; L201-F237 HydrophobicContact CB-CD1 3.86Å; L201-F237 HydrophobicContact CB-CD2 3.94Å; L201-F237 HydrophobicContact CB-CE1 4.43Å; L201-F237 HydrophobicContact CB-CG 3.59Å; L201-F237 HydrophobicContact CD1-CD1 3.77Å; L201-F237 HydrophobicContact CD1-CE1 4.1Å; L201-F237 HydrophobicContact CD1-CG 4.39Å; L201-F237 HydrophobicContact CD2-CD1 3.92Å; L201-F237 HydrophobicContact CD2-CD2 4.36Å; L201-F237 HydrophobicContact CD2-CE1 3.64Å; L201-F237 HydrophobicContact CD2-CE2 4.11Å; L201-F237 HydrophobicContact CD2-CG 4.28Å; L201-F237 HydrophobicContact CD2-CZ 3.73Å; L201-F237 HydrophobicContact CG-CD1 4.05Å; L201-F237 HydrophobicContact CG-CE1 4.26Å; L201-F237 HydrophobicContact CG-CG 4.28Å; L233-F237 PolarHBondContact O-N 2.93Å; F234-F237 CarbonylContact O-C 3.57Å; F234-F237 WeakPolarHBondContact O-CB 3.14Å; F234-F237 PolarHBondContact O-N 3.49Å; W235-F237 PolarHBondContact O-N 3.26Å; F237-H239 VanDerWaalsContact C-N 3.33Å; F237-H239 PolarHBondContact O-N 2.78Å; F237-P240 VanDerWaalsContact O-CD 3.25Å; F237-P240 WeakPolarHBondContact O-CD 3.37Å; F237-E241 HydrophobicContact CD2-CB 4.35Å; F237-E241 HydrophobicContact CE1-CB 4.15Å; F237-E241 HydrophobicContact CE1-CG 4.23Å; F237-E241 HydrophobicContact CE2-CB 3.76Å; F237-E241 HydrophobicContact CE2-CG 3.98Å; F237-E241 WeakPolarHBondContact CE2-OE2 3.35Å; F237-E241 HydrophobicContact CZ-CB 3.65Å; F237-E241 HydrophobicContact CZ-CG 3.54Å; F237-E241 WeakPolarHBondContact O-CB 3.16Å; F237-E241 PolarHBondContact O-N 3.37Å |
| 238 | G | 96.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.3 | -30.6 | -164 | 0 | 0 | 0 | 0 | 0 | 113.9 | F234 W235 E241 V242 | F234-G238 WeakPolarHBondContact O-CA 3.4Å; F234-G238 PolarHBondContact O-N 3.05Å; W235-G238 PolarHBondContact O-N 3Å; G238-E241 WeakPolarHBondContact O-CB 3.34Å; G238-V242 PolarHBondContact O-N 3.5Å |
| 239 | H | 97.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.042 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -76 | -46.5 | 176 | -163.3 | 79.2 | 0 | 0 | 0 | 113.2 | W235 F237 E241 V242 Y243 V286 W287 H289 H290 | W235-H239 PolarHBondContact O-N 3.24Å; F237-H239 VanDerWaalsContact C-N 3.33Å; F237-H239 PolarHBondContact O-N 2.78Å; H239-E241 PolarHBondContact O-N 2.75Å; H239-V242 WeakPolarHBondContact O-CG2 3.39Å; H239-V242 PolarHBondContact O-N 3.07Å; H239-Y243 AromaticContact CD2-CE2 3.39Å; H239-Y243 WeakPolarHBondContact CD2-CE2 3.28Å; H239-Y243 AromaticContact NE2-CD2 3.97Å; H239-Y243 AromaticContact NE2-CE2 2.98Å; H239-Y243 WeakPolarHBondContact NE2-CE2 3.39Å; H239-Y243 AromaticContact NE2-CZ 3.24Å; H239-Y243 PolarHBondContact NE2-OH 3.21Å; H239-V286 WeakPolarHBondContact CD2-CG2 3.29Å; H239-V286 WeakPolarHBondContact NE2-CG2 3.4Å; H239-W287 HydrophobicContact CB-CB 4.11Å; H239-H289 AromaticContact CE1-CE1 3.01Å; H239-H289 PolarHBondContact CE1-CE1 2.87Å; H239-H289 AromaticContact CE1-NE2 3.21Å; H239-H289 PolarHBondContact CE1-NE2 3.37Å; H239-H289 AromaticContact CG-CE1 3.85Å; H239-H289 AromaticContact CG-NE2 3.89Å; H239-H289 AromaticContact ND1-CE1 3.07Å; H239-H289 PolarHBondContact ND1-CE1 2.94Å; H239-H289 AromaticContact ND1-NE2 2.89Å; H239-H289 PolarHBondContact ND1-NE2 3.29Å; H239-H289 AromaticContact NE2-CE1 3.65Å; H239-H290 AromaticContact ND1-NE2 3.29Å; H239-H290 PolarHBondContact ND1-NE2 2.72Å |
| 240 | P | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -53.2 | -38.7 | 165 | -30.4 | 36.6 | 0 | 0 | 0 | 113.7 | F236 F237 V242 Y243 I244 G283 F284 | F236-P240 WeakPolarHBondContact O-CD 3.29Å; F236-P240 WeakPolarHBondContact O-CG 3.38Å; F237-P240 VanDerWaalsContact O-CD 3.25Å; F237-P240 WeakPolarHBondContact O-CD 3.37Å; P240-V242 PolarHBondContact O-N 3.01Å; P240-Y243 WeakPolarHBondContact O-CA 3.22Å; P240-Y243 WeakPolarHBondContact O-CB 3.44Å; P240-Y243 PolarHBondContact O-N 3.49Å; P240-I244 WeakPolarHBondContact O-CG1 3.47Å; P240-I244 PolarHBondContact O-N 3.41Å; P240-G283 WeakPolarHBondContact CD-O 3.36Å; P240-F284 HydrophobicContact CB-CE1 4.09Å; P240-F284 HydrophobicContact CB-CZ 4.2Å; P240-F284 HydrophobicContact CG-CD1 3.65Å; P240-F284 HydrophobicContact CG-CE1 3.61Å; P240-F284 HydrophobicContact CG-CG 4.22Å; P240-F284 HydrophobicContact CG-CZ 4.16Å |
| 241 | E | 97.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 177.4 | -177 | 59.6 | -155.7 | 0 | 0 | 111.8 | M70 F237 G238 H239 Y243 I244 L245 | M70-E241 WeakPolarHBondContact CE-OE1 3.4Å; F237-E241 HydrophobicContact CD2-CB 4.35Å; F237-E241 HydrophobicContact CE1-CB 4.15Å; F237-E241 HydrophobicContact CE1-CG 4.23Å; F237-E241 HydrophobicContact CE2-CB 3.76Å; F237-E241 HydrophobicContact CE2-CG 3.98Å; F237-E241 WeakPolarHBondContact CE2-OE2 3.35Å; F237-E241 HydrophobicContact CZ-CB 3.65Å; F237-E241 HydrophobicContact CZ-CG 3.54Å; F237-E241 WeakPolarHBondContact O-CB 3.16Å; F237-E241 PolarHBondContact O-N 3.37Å; G238-E241 WeakPolarHBondContact O-CB 3.34Å; H239-E241 PolarHBondContact O-N 2.75Å; E241-Y243 PolarHBondContact O-N 2.89Å; E241-Y243 VanDerWaalsContact O-N 3.12Å; E241-I244 WeakPolarHBondContact O-CA 3.41Å; E241-I244 VanDerWaalsContact O-CB 3.28Å; E241-I244 WeakPolarHBondContact O-CB 3.45Å; E241-I244 PolarHBondContact O-N 2.76Å; E241-I244 WeakPolarHBondContact OE2-CD1 3.49Å; E241-L245 VanDerWaalsContact O-CG 3.3Å; E241-L245 WeakPolarHBondContact O-CG 3.35Å; E241-L245 PolarHBondContact O-N 3.3Å |
| 242 | V | 95.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 12.3 Ų | 12.3 | 17% | 0.17 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.6 | -24 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 113 | G238 H239 P240 F376 | G238-V242 PolarHBondContact O-N 3.5Å; H239-V242 WeakPolarHBondContact O-CG2 3.39Å; H239-V242 PolarHBondContact O-N 3.07Å; P240-V242 PolarHBondContact O-N 3.01Å; V242-F376 HydrophobicContact CB-CE2 4.33Å; V242-F376 HydrophobicContact CG1-CE2 3.58Å; V242-F376 HydrophobicContact CG1-CZ 4.14Å |
| 243 | Y | 96.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 9.2 Ų | 9.2 | 12% | 0.118 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -78.4 | -37.8 | 170.1 | -68.8 | -50.3 | 0 | 0 | 0 | 113.6 | H239 P240 E241 L245 I246 L247 I279 I311 | H239-Y243 AromaticContact CD2-CE2 3.39Å; H239-Y243 WeakPolarHBondContact CD2-CE2 3.28Å; H239-Y243 AromaticContact NE2-CD2 3.97Å; H239-Y243 AromaticContact NE2-CE2 2.98Å; H239-Y243 WeakPolarHBondContact NE2-CE2 3.39Å; H239-Y243 AromaticContact NE2-CZ 3.24Å; H239-Y243 PolarHBondContact NE2-OH 3.21Å; P240-Y243 WeakPolarHBondContact O-CA 3.22Å; P240-Y243 WeakPolarHBondContact O-CB 3.44Å; P240-Y243 PolarHBondContact O-N 3.49Å; E241-Y243 PolarHBondContact O-N 2.89Å; E241-Y243 VanDerWaalsContact O-N 3.12Å; Y243-L245 PolarHBondContact O-N 3.41Å; Y243-I246 HydrophobicContact CD1-CG2 4.15Å; Y243-I246 PolarHBondContact O-N 2.87Å; Y243-L247 WeakPolarHBondContact O-CB 3.48Å; Y243-L247 VanDerWaalsContact O-CG 3.29Å; Y243-L247 WeakPolarHBondContact O-CG 3.35Å; Y243-L247 PolarHBondContact O-N 2.87Å; Y243-I279 HydrophobicContact CD1-CG2 3.48Å; Y243-I279 VanDerWaalsContact CD1-CG2 3.48Å; Y243-I279 HydrophobicContact CD2-CG2 4.29Å; Y243-I279 HydrophobicContact CE1-CG2 3.75Å; Y243-I279 HydrophobicContact CE2-CG2 4.47Å; Y243-I279 HydrophobicContact CG-CG2 3.82Å; Y243-I311 HydrophobicContact CE1-CG2 4.35Å; Y243-I311 HydrophobicContact CE2-CD1 4.14Å; Y243-I311 WeakPolarHBondContact OH-CD1 3.36Å; Y243-I311 WeakPolarHBondContact OH-CG2 3.17Å |
| 244 | I | 96.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.005 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -52.5 | -39 | 169.9 | -72.7 | 157.3 | 0 | 0 | 0 | 109.9 | M70 T190 L193 L194 P240 E241 I246 P248 | M70-I244 HydrophobicContact CG-CG2 4.49Å; M70-I244 HydrophobicContact SD-CG2 4.42Å; T190-I244 HydrophobicContact CG2-CB 3.9Å; T190-I244 HydrophobicContact CG2-CG1 3.97Å; T190-I244 HydrophobicContact CG2-CG2 3.59Å; L193-I244 HydrophobicContact CB-CD1 3.73Å; L193-I244 HydrophobicContact CB-CG1 3.55Å; L193-I244 HydrophobicContact CD1-CG1 4.02Å; L193-I244 HydrophobicContact CG-CG1 4.42Å; L194-I244 HydrophobicContact CB-CD1 4.46Å; L194-I244 HydrophobicContact CD1-CG2 4.33Å; L194-I244 HydrophobicContact CD2-CD1 3.73Å; L194-I244 HydrophobicContact CD2-CG1 4.35Å; L194-I244 HydrophobicContact CD2-CG2 3.81Å; L194-I244 HydrophobicContact CG-CD1 3.8Å; L194-I244 HydrophobicContact CG-CG1 4.09Å; L194-I244 HydrophobicContact CG-CG2 3.96Å; P240-I244 WeakPolarHBondContact O-CG1 3.47Å; P240-I244 PolarHBondContact O-N 3.41Å; E241-I244 WeakPolarHBondContact O-CA 3.41Å; E241-I244 VanDerWaalsContact O-CB 3.28Å; E241-I244 WeakPolarHBondContact O-CB 3.45Å; E241-I244 PolarHBondContact O-N 2.76Å; E241-I244 WeakPolarHBondContact OE2-CD1 3.49Å; I244-I246 VanDerWaalsContact C-N 3.34Å; I244-I246 PolarHBondContact O-N 3.21Å; I244-P248 WeakPolarHBondContact O-CD 3.21Å |
| 245 | L | 95 | Very high | 97.5 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.8 | 178.5 | -58.9 | 176.5 | 0 | 0 | 0 | 115.1 | I65 V69 M70 M73 E241 Y243 L380 A384 | I65-L245 HydrophobicContact CG1-CD1 4.31Å; I65-L245 HydrophobicContact CG2-CD1 3.8Å; I65-L245 HydrophobicContact CG2-CD2 4.29Å; V69-L245 HydrophobicContact CB-CD2 4.32Å; V69-L245 HydrophobicContact CG1-CB 4.39Å; V69-L245 HydrophobicContact CG1-CD2 3.79Å; M70-L245 HydrophobicContact CG-CD2 3.57Å; M73-L245 VanDerWaalsContact CE-C 3.5Å; M73-L245 WeakPolarHBondContact CE-O 3.44Å; E241-L245 VanDerWaalsContact O-CG 3.3Å; E241-L245 WeakPolarHBondContact O-CG 3.35Å; E241-L245 PolarHBondContact O-N 3.3Å; Y243-L245 PolarHBondContact O-N 3.41Å; L245-L380 HydrophobicContact CB-CD1 3.88Å; L245-L380 HydrophobicContact CD1-CD1 3.39Å; L245-L380 HydrophobicContact CG-CD1 4.24Å; L245-A384 WeakPolarHBondContact O-CB 3.48Å |
| 246 | I | 97.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 7.7 Ų | 7.7 | 5% | 0.046 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -27.9 | -177.1 | -161.7 | 62.4 | 0 | 0 | 0 | 114.1 | Y243 I244 G249 F250 F343 F347 | Y243-I246 HydrophobicContact CD1-CG2 4.15Å; Y243-I246 PolarHBondContact O-N 2.87Å; I244-I246 VanDerWaalsContact C-N 3.34Å; I244-I246 PolarHBondContact O-N 3.21Å; I246-G249 CarbonylContact O-C 3.58Å; I246-G249 VanDerWaalsContact O-CA 3.3Å; I246-G249 WeakPolarHBondContact O-CA 3.21Å; I246-G249 PolarHBondContact O-N 3.07Å; I246-F250 HydrophobicContact CD1-CE1 4.39Å; I246-F250 HydrophobicContact CG1-CD1 4.16Å; I246-F250 HydrophobicContact CG1-CE1 3.59Å; I246-F250 HydrophobicContact CG1-CE2 4.44Å; I246-F250 HydrophobicContact CG1-CZ 3.75Å; I246-F250 HydrophobicContact CG2-CE2 4.05Å; I246-F250 HydrophobicContact CG2-CZ 4Å; I246-F250 PolarHBondContact O-N 3.41Å; I246-F343 HydrophobicContact CD1-CE2 3.9Å; I246-F343 HydrophobicContact CD1-CZ 4.24Å; I246-F347 HydrophobicContact CD1-CD2 4.18Å; I246-F347 HydrophobicContact CD1-CE2 4Å; I246-F347 HydrophobicContact CG1-CD2 4.37Å; I246-F347 HydrophobicContact CG1-CE2 3.71Å; I246-F347 HydrophobicContact CG1-CZ 4.27Å |
| 247 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -56.8 | -47.5 | -178.9 | -74.9 | 172.1 | 0 | 0 | 0 | 112.4 | S186 I189 T190 L193 Y243 G249 F250 G251 M276 I279 | S186-L247 WeakPolarHBondContact CB-O 3.46Å; I189-L247 HydrophobicContact CB-CD1 4.37Å; I189-L247 HydrophobicContact CG2-CD1 3.69Å; T190-L247 WeakPolarHBondContact OG1-CB 3.43Å; L193-L247 HydrophobicContact CD1-CD1 3.7Å; Y243-L247 WeakPolarHBondContact O-CB 3.48Å; Y243-L247 VanDerWaalsContact O-CG 3.29Å; Y243-L247 WeakPolarHBondContact O-CG 3.35Å; Y243-L247 PolarHBondContact O-N 2.87Å; L247-G249 PolarHBondContact O-N 3.46Å; L247-F250 HydrophobicContact CD2-CD2 3.94Å; L247-F250 HydrophobicContact CD2-CE2 4.27Å; L247-F250 VanDerWaalsContact O-CB 3.32Å; L247-F250 WeakPolarHBondContact O-CB 3.23Å; L247-F250 PolarHBondContact O-N 2.79Å; L247-G251 PolarHBondContact O-N 3.39Å; L247-G251 VanDerWaalsContact O-N 3.07Å; L247-M276 HydrophobicContact CD2-CB 4.29Å; L247-M276 HydrophobicContact CD2-CG 4.29Å; L247-I279 HydrophobicContact CD2-CB 4.49Å; L247-I279 HydrophobicContact CD2-CG2 4.14Å |
| 248 | P | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60 | -35.7 | 174.5 | -23.8 | 36.1 | 0 | 0 | 0 | 112.4 | M73 I74 F183 S186 T190 I244 F250 G251 M252 | M73-P248 HydrophobicContact CB-CB 4.08Å; M73-P248 HydrophobicContact CB-CG 4.44Å; M73-P248 HydrophobicContact SD-CB 4.23Å; I74-P248 HydrophobicContact CD1-CB 4.34Å; I74-P248 HydrophobicContact CD1-CG 3.45Å; I74-P248 VanDerWaalsContact CD1-CG 3.45Å; I74-P248 HydrophobicContact CG1-CG 4.21Å; F183-P248 HydrophobicContact CE2-CB 4.29Å; S186-P248 WeakPolarHBondContact OG-CA 3.3Å; T190-P248 HydrophobicContact CG2-CG 4.31Å; T190-P248 WeakPolarHBondContact OG1-CD 3.33Å; I244-P248 WeakPolarHBondContact O-CD 3.21Å; P248-F250 PolarHBondContact O-N 3.18Å; P248-G251 WeakPolarHBondContact O-CA 3.34Å; P248-G251 PolarHBondContact O-N 3.13Å; P248-G251 VanDerWaalsContact O-N 3.12Å; P248-M252 WeakPolarHBondContact O-CG 3.3Å; P248-M252 PolarHBondContact O-N 3.09Å |
| 249 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -57.4 | -47.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I246 L247 G251 M252 I253 A387 | I246-G249 CarbonylContact O-C 3.58Å; I246-G249 VanDerWaalsContact O-CA 3.3Å; I246-G249 WeakPolarHBondContact O-CA 3.21Å; I246-G249 PolarHBondContact O-N 3.07Å; L247-G249 PolarHBondContact O-N 3.46Å; G249-G251 VanDerWaalsContact C-N 3.27Å; G249-G251 PolarHBondContact O-N 3.06Å; G249-M252 PolarHBondContact O-N 3.33Å; G249-M252 VanDerWaalsContact O-N 3.16Å; G249-I253 VanDerWaalsContact O-CG1 3.28Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 3.1Å; G249-A387 VanDerWaalsContact CA-CB 3.48Å |
| 250 | F | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 1% | 0.013 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 173.6 | -61.6 | -23.4 | 0 | 0 | 0 | 113 | I246 L247 P248 S254 I279 K318 W322 F343 F347 | I246-F250 HydrophobicContact CD1-CE1 4.39Å; I246-F250 HydrophobicContact CG1-CD1 4.16Å; I246-F250 HydrophobicContact CG1-CE1 3.59Å; I246-F250 HydrophobicContact CG1-CE2 4.44Å; I246-F250 HydrophobicContact CG1-CZ 3.75Å; I246-F250 HydrophobicContact CG2-CE2 4.05Å; I246-F250 HydrophobicContact CG2-CZ 4Å; I246-F250 PolarHBondContact O-N 3.41Å; L247-F250 HydrophobicContact CD2-CD2 3.94Å; L247-F250 HydrophobicContact CD2-CE2 4.27Å; L247-F250 VanDerWaalsContact O-CB 3.32Å; L247-F250 WeakPolarHBondContact O-CB 3.23Å; L247-F250 PolarHBondContact O-N 2.79Å; P248-F250 PolarHBondContact O-N 3.18Å; F250-S254 WeakPolarHBondContact O-CB 3.32Å; F250-S254 PolarHBondContact O-N 3.47Å; F250-S254 VanDerWaalsContact O-N 3.08Å; F250-S254 PolarHBondContact O-OG 2.65Å; F250-I279 HydrophobicContact CE2-CD1 4.07Å; F250-K318 VanDerWaalsContact CB-CE 3.42Å; F250-K318 HydrophobicContact CD2-CD 4.03Å; F250-K318 HydrophobicContact CE2-CD 4.4Å; F250-W322 HydrophobicContact CB-CH2 4.1Å; F250-W322 HydrophobicContact CB-CZ2 3.89Å; F250-W322 AromaticContact CD1-CH2 3.42Å; F250-W322 HydrophobicContact CD1-CH2 3.42Å; F250-W322 VanDerWaalsContact CD1-CH2 3.42Å; F250-W322 HydrophobicContact CD1-CZ2 4.07Å; F250-W322 HydrophobicContact CD1-CZ3 4.42Å; F250-W322 AromaticContact CE1-CH2 3.97Å; F250-W322 HydrophobicContact CE1-CH2 3.97Å; F250-W322 AromaticContact CG-CH2 3.89Å; F250-W322 HydrophobicContact CG-CH2 3.89Å; F250-W322 HydrophobicContact CG-CZ2 4.21Å; F250-F343 HydrophobicContact CD1-CE1 4.17Å; F250-F343 AromaticContact CD1-CZ 3.64Å; F250-F343 HydrophobicContact CD1-CZ 3.64Å; F250-F343 HydrophobicContact CE1-CE1 4.37Å; F250-F343 AromaticContact CE1-CZ 3.75Å; F250-F343 HydrophobicContact CE1-CZ 3.75Å; F250-F347 HydrophobicContact CE1-CD1 4.24Å; F250-F347 AromaticContact CE1-CE1 3.68Å; F250-F347 HydrophobicContact CE1-CE1 3.68Å; F250-F347 HydrophobicContact CE1-CE2 4.1Å; F250-F347 AromaticContact CE1-CZ 3.62Å; F250-F347 HydrophobicContact CE1-CZ 3.62Å; F250-F347 AromaticContact CZ-CE1 3.76Å; F250-F347 HydrophobicContact CZ-CE1 3.76Å; F250-F347 HydrophobicContact CZ-CE2 4.22Å; F250-F347 AromaticContact CZ-CZ 3.47Å; F250-F347 HydrophobicContact CZ-CZ 3.47Å; F250-F347 VanDerWaalsContact CZ-CZ 3.47Å |
| 251 | G | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.4 | -53.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L247 P248 G249 I253 S254 H255 | L247-G251 PolarHBondContact O-N 3.39Å; L247-G251 VanDerWaalsContact O-N 3.07Å; P248-G251 WeakPolarHBondContact O-CA 3.34Å; P248-G251 PolarHBondContact O-N 3.13Å; P248-G251 VanDerWaalsContact O-N 3.12Å; G249-G251 VanDerWaalsContact C-N 3.27Å; G249-G251 PolarHBondContact O-N 3.06Å; G251-I253 PolarHBondContact O-N 3.42Å; G251-S254 WeakPolarHBondContact O-CB 3.42Å; G251-S254 PolarHBondContact O-N 3.15Å; G251-H255 PolarHBondContact O-CD2 3.27Å; G251-H255 PolarHBondContact O-N 2.98Å; G251-H255 VanDerWaalsContact O-N 3.15Å |
| 252 | M | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | -179 | -68.2 | -171.4 | -77.9 | 0 | 0 | 112.4 | M73 F77 F183 P248 G249 S254 H255 I256 A387 W395 | M73-M252 HydrophobicContact CG-CE 3.92Å; M73-M252 HydrophobicContact SD-CE 3.85Å; F77-M252 HydrophobicContact CB-SD 4.48Å; F77-M252 HydrophobicContact CD1-SD 4.21Å; F77-M252 HydrophobicContact CD2-CE 4.38Å; F77-M252 HydrophobicContact CD2-SD 3.7Å; F77-M252 HydrophobicContact CE1-SD 4.39Å; F77-M252 HydrophobicContact CE2-SD 3.89Å; F77-M252 HydrophobicContact CG-SD 3.88Å; F77-M252 HydrophobicContact CZ-SD 4.24Å; F183-M252 HydrophobicContact CD2-CG 3.72Å; F183-M252 HydrophobicContact CE2-CG 3.62Å; F183-M252 HydrophobicContact CE2-SD 4.44Å; P248-M252 WeakPolarHBondContact O-CG 3.3Å; P248-M252 PolarHBondContact O-N 3.09Å; G249-M252 PolarHBondContact O-N 3.33Å; G249-M252 VanDerWaalsContact O-N 3.16Å; M252-S254 VanDerWaalsContact C-N 3.27Å; M252-S254 PolarHBondContact O-N 2.94Å; M252-H255 PolarHBondContact O-N 3.19Å; M252-H255 VanDerWaalsContact O-N 3.16Å; M252-I256 WeakPolarHBondContact O-CG1 3.29Å; M252-I256 PolarHBondContact O-N 3.37Å; M252-A387 HydrophobicContact CE-CB 3.99Å; M252-W395 HydrophobicContact CB-CH2 4.14Å; M252-W395 HydrophobicContact CB-CZ3 3.97Å; M252-W395 HydrophobicContact CG-CH2 4.01Å; M252-W395 HydrophobicContact CG-CZ3 3.67Å; M252-W395 HydrophobicContact SD-CZ3 4.04Å |
| 253 | I | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61 | -38.3 | 177.8 | -64.4 | -54.2 | 0 | 0 | 0 | 111.3 | G249 G251 H255 I256 V257 W322 A340 F343 I344 A387 | G249-I253 VanDerWaalsContact O-CG1 3.28Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 3.1Å; G251-I253 PolarHBondContact O-N 3.42Å; I253-H255 VanDerWaalsContact C-N 3.33Å; I253-H255 PolarHBondContact O-N 2.85Å; I253-I256 HydrophobicContact CD1-CD1 4.41Å; I253-I256 PolarHBondContact O-N 3.46Å; I253-V257 HydrophobicContact CG2-CG2 4.11Å; I253-V257 VanDerWaalsContact O-CB 3.32Å; I253-V257 WeakPolarHBondContact O-CB 3.44Å; I253-V257 VanDerWaalsContact O-CG2 3.26Å; I253-V257 WeakPolarHBondContact O-CG2 3.49Å; I253-V257 PolarHBondContact O-N 3.39Å; I253-W322 HydrophobicContact CB-CZ2 4.48Å; I253-W322 HydrophobicContact CG2-CD2 4.05Å; I253-W322 HydrophobicContact CG2-CG 4.34Å; I253-W322 HydrophobicContact CG2-CZ2 4.31Å; I253-A340 HydrophobicContact CD1-CB 4.01Å; I253-A340 HydrophobicContact CG2-CB 4.46Å; I253-F343 HydrophobicContact CB-CD1 4.25Å; I253-F343 HydrophobicContact CB-CE1 4.33Å; I253-F343 HydrophobicContact CD1-CB 3.97Å; I253-F343 HydrophobicContact CD1-CD1 4.12Å; I253-F343 HydrophobicContact CD1-CD2 4.4Å; I253-F343 HydrophobicContact CD1-CG 3.9Å; I253-F343 HydrophobicContact CG1-CB 4.34Å; I253-F343 HydrophobicContact CG1-CD1 3.55Å; I253-F343 HydrophobicContact CG1-CD2 4.12Å; I253-F343 HydrophobicContact CG1-CE1 3.82Å; I253-F343 HydrophobicContact CG1-CE2 4.32Å; I253-F343 HydrophobicContact CG1-CG 3.73Å; I253-F343 HydrophobicContact CG1-CZ 4.2Å; I253-F343 HydrophobicContact CG2-CD1 3.95Å; I253-F343 HydrophobicContact CG2-CE1 4.25Å; I253-I344 HydrophobicContact CG2-CD1 4.48Å; I253-I344 HydrophobicContact CG2-CG1 4.33Å; I253-A387 HydrophobicContact CD1-CB 4.21Å; I253-A387 HydrophobicContact CG1-CB 4.15Å |
| 254 | S | 97.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.2 | -38.1 | 177.3 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | F250 G251 M252 T258 M272 W322 | F250-S254 WeakPolarHBondContact O-CB 3.32Å; F250-S254 PolarHBondContact O-N 3.47Å; F250-S254 VanDerWaalsContact O-N 3.08Å; F250-S254 PolarHBondContact O-OG 2.65Å; G251-S254 WeakPolarHBondContact O-CB 3.42Å; G251-S254 PolarHBondContact O-N 3.15Å; M252-S254 VanDerWaalsContact C-N 3.27Å; M252-S254 PolarHBondContact O-N 2.94Å; S254-T258 VanDerWaalsContact O-CB 3.3Å; S254-T258 WeakPolarHBondContact O-CB 3.43Å; S254-T258 PolarHBondContact O-N 3.39Å; S254-T258 VanDerWaalsContact O-N 3.14Å; S254-T258 PolarHBondContact O-OG1 2.96Å; S254-M272 VanDerWaalsContact OG-CE 3.24Å; S254-M272 WeakPolarHBondContact OG-CE 3.41Å; S254-W322 PolarHBondContact OG-NE1 3.28Å |
| 255 | H | 95.9 | Very high | 94.9 | Very high | 18 Ų | 18 | 26.6 Ų | 26.6 | 8% | 0.083 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.3 | -48.3 | 174.8 | -84.6 | -102.4 | 0 | 0 | 0 | 111.6 | P181 F183 G251 M252 I253 V257 T258 Y259 W395 | P181-H255 WeakPolarHBondContact CB-NE2 3.29Å; F183-H255 WeakPolarHBondContact CB-NE2 3.09Å; F183-H255 PolarHBondContact N-NE2 2.72Å; G251-H255 PolarHBondContact O-CD2 3.27Å; G251-H255 PolarHBondContact O-N 2.98Å; G251-H255 VanDerWaalsContact O-N 3.15Å; M252-H255 PolarHBondContact O-N 3.19Å; M252-H255 VanDerWaalsContact O-N 3.16Å; I253-H255 VanDerWaalsContact C-N 3.33Å; I253-H255 PolarHBondContact O-N 2.85Å; H255-V257 PolarHBondContact O-N 3.46Å; H255-T258 PolarHBondContact O-N 2.87Å; H255-Y259 VanDerWaalsContact O-CB 3.24Å; H255-Y259 WeakPolarHBondContact O-CB 3.42Å; H255-Y259 PolarHBondContact O-N 3.34Å; H255-W395 HydrophobicContact CB-CH2 4.07Å; H255-W395 HydrophobicContact CB-CZ2 3.97Å |
| 256 | I | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.8 | -49.4 | -179.7 | -65.2 | 164.4 | 0 | 0 | 0 | 110.5 | M252 I253 T258 Y259 Y260 A336 A340 H394 | M252-I256 WeakPolarHBondContact O-CG1 3.29Å; M252-I256 PolarHBondContact O-N 3.37Å; I253-I256 HydrophobicContact CD1-CD1 4.41Å; I253-I256 PolarHBondContact O-N 3.46Å; I256-T258 PolarHBondContact O-N 2.95Å; I256-Y259 PolarHBondContact O-N 3.36Å; I256-Y260 HydrophobicContact CG2-CD2 3.81Å; I256-Y260 HydrophobicContact CG2-CE2 4.08Å; I256-Y260 VanDerWaalsContact O-CD2 3.29Å; I256-Y260 WeakPolarHBondContact O-CD2 3.24Å; I256-Y260 PolarHBondContact O-N 3.3Å; I256-A336 HydrophobicContact CG2-CB 4.08Å; I256-A340 HydrophobicContact CG2-CB 3.9Å; I256-H394 HydrophobicContact CD1-CB 4.46Å; I256-H394 HydrophobicContact CG1-CB 4.06Å |
| 257 | V | 96.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 179.6 | 167 | 0 | 0 | 0 | 0 | 110.6 | I253 H255 S261 T325 L326 A340 I344 | I253-V257 HydrophobicContact CG2-CG2 4.11Å; I253-V257 VanDerWaalsContact O-CB 3.32Å; I253-V257 WeakPolarHBondContact O-CB 3.44Å; I253-V257 VanDerWaalsContact O-CG2 3.26Å; I253-V257 WeakPolarHBondContact O-CG2 3.49Å; I253-V257 PolarHBondContact O-N 3.39Å; H255-V257 PolarHBondContact O-N 3.46Å; V257-S261 VanDerWaalsContact O-CB 3.22Å; V257-S261 WeakPolarHBondContact O-CB 3.26Å; V257-S261 PolarHBondContact O-N 3.2Å; V257-S261 PolarHBondContact O-OG 3.3Å; V257-T325 HydrophobicContact CG1-CG2 3.74Å; V257-L326 HydrophobicContact CG1-CD2 3.79Å; V257-L326 HydrophobicContact CG1-CG 3.75Å; V257-L326 HydrophobicContact CG2-CD2 4.46Å; V257-A340 HydrophobicContact CG2-CB 4.15Å; V257-I344 HydrophobicContact CG2-CD1 4.28Å |
| 258 | T | 94.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | -180 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | S254 H255 I256 S261 G262 K263 | S254-T258 VanDerWaalsContact O-CB 3.3Å; S254-T258 WeakPolarHBondContact O-CB 3.43Å; S254-T258 PolarHBondContact O-N 3.39Å; S254-T258 VanDerWaalsContact O-N 3.14Å; S254-T258 PolarHBondContact O-OG1 2.96Å; H255-T258 PolarHBondContact O-N 2.87Å; I256-T258 PolarHBondContact O-N 2.95Å; T258-S261 PolarHBondContact O-N 3.38Å; T258-G262 PolarHBondContact O-N 2.93Å; T258-K263 WeakPolarHBondContact CG2-O 3.3Å; T258-K263 PolarHBondContact O-N 2.91Å |
| 259 | Y | 93.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 36.3 Ų | 36.3 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -52.9 | -178.4 | -174.9 | -91.3 | 0 | 0 | 0 | 111.8 | H255 I256 S261 G262 H394 E485 | H255-Y259 VanDerWaalsContact O-CB 3.24Å; H255-Y259 WeakPolarHBondContact O-CB 3.42Å; H255-Y259 PolarHBondContact O-N 3.34Å; I256-Y259 PolarHBondContact O-N 3.36Å; Y259-S261 VanDerWaalsContact C-N 3.35Å; Y259-S261 PolarHBondContact O-N 2.82Å; Y259-G262 PolarHBondContact O-N 3.47Å; Y259-G262 VanDerWaalsContact O-N 3.15Å; Y259-H394 AromaticContact CD1-CE1 3.75Å; Y259-H394 AromaticContact CG-CE1 3.71Å; Y259-E485 WeakPolarHBondContact CE2-O 3.37Å; Y259-E485 PolarHBondContact OH-N 3.43Å; Y259-E485 PolarHBondContact OH-O 3.05Å |
| 260 | Y | 93.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 40 Ų | 40 | 12% | 0.122 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80.1 | -14.8 | -175.7 | -72 | -77.5 | 0 | 0 | 0 | 114.3 | I256 G262 K332 S334 A336 V337 H394 | I256-Y260 HydrophobicContact CG2-CD2 3.81Å; I256-Y260 HydrophobicContact CG2-CE2 4.08Å; I256-Y260 VanDerWaalsContact O-CD2 3.29Å; I256-Y260 WeakPolarHBondContact O-CD2 3.24Å; I256-Y260 PolarHBondContact O-N 3.3Å; Y260-G262 VanDerWaalsContact C-N 3.3Å; Y260-K332 HydrophobicContact CD1-CB 4.1Å; Y260-K332 PolarHBondContact O-N 2.61Å; Y260-S334 WeakPolarHBondContact CD1-OG 3.39Å; Y260-S334 VanDerWaalsContact CE1-CB 3.43Å; Y260-S334 WeakPolarHBondContact CE1-OG 3.38Å; Y260-A336 HydrophobicContact CD2-CB 4.46Å; Y260-A336 HydrophobicContact CE2-CB 3.61Å; Y260-V337 HydrophobicContact CD1-CG2 4.03Å; Y260-V337 HydrophobicContact CD2-CG2 3.7Å; Y260-V337 HydrophobicContact CG-CG2 3.39Å; Y260-H394 AromaticContact CE2-ND1 3.82Å |
| 261 | S | 92.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -79.8 | -10.3 | 166.8 | -69 | 0 | 0 | 0 | 0 | 113.3 | V257 T258 Y259 K263 S329 M331 | V257-S261 VanDerWaalsContact O-CB 3.22Å; V257-S261 WeakPolarHBondContact O-CB 3.26Å; V257-S261 PolarHBondContact O-N 3.2Å; V257-S261 PolarHBondContact O-OG 3.3Å; T258-S261 PolarHBondContact O-N 3.38Å; Y259-S261 VanDerWaalsContact C-N 3.35Å; Y259-S261 PolarHBondContact O-N 2.82Å; S261-K263 PolarHBondContact O-N 2.71Å; S261-S329 WeakPolarHBondContact O-CB 3.38Å; S261-S329 PolarHBondContact OG-OG 3.47Å; S261-M331 PolarHBondContact OG-SD 3.33Å |
| 262 | G | 88.8 | Confident | 94.5 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 63% | 0.629 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 19.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T258 Y259 Y260 | T258-G262 PolarHBondContact O-N 2.93Å; Y259-G262 PolarHBondContact O-N 3.47Å; Y259-G262 VanDerWaalsContact O-N 3.15Å; Y260-G262 VanDerWaalsContact C-N 3.3Å |
| 263 | K | 88.9 | Confident | 94.5 | Very high | 68 Ų | 68 | 41.3 Ų | 41.3 | 30% | 0.296 | 22% | 0.224 | S | C | . | . | trans | -88.9 | 148.9 | 176.4 | -69.9 | -174.1 | 178.5 | 173.3 | 0 | 109 | T258 S261 A324 T325 H327 | T258-K263 WeakPolarHBondContact CG2-O 3.3Å; T258-K263 PolarHBondContact O-N 2.91Å; S261-K263 PolarHBondContact O-N 2.71Å; K263-A324 PolarHBondContact NZ-O 3.1Å; K263-A324 VanDerWaalsContact NZ-O 3.15Å; K263-T325 HydrophobicContact CD-CG2 4.06Å; K263-T325 VanDerWaalsContact CD-O 3.28Å; K263-T325 WeakPolarHBondContact CD-O 3.41Å; K263-T325 WeakPolarHBondContact CE-O 3.35Å; K263-T325 PolarHBondContact NZ-O 2.97Å; K263-H327 PolarHBondContact NZ-O 3.21Å | ||
| 264 | K | 86.5 | Confident | 94.4 | Very high | 172 Ų | 172 | 47.8 Ų | 47.8 | 75% | 0.748 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -71.2 | -34.6 | 178.9 | -58 | -167.7 | 175.8 | -179.8 | 0 | 112.5 | M489 | K264-M489 HydrophobicContact CB-SD 4.12Å; K264-M489 HydrophobicContact CD-CE 4.25Å; K264-M489 HydrophobicContact CG-CE 3.83Å; K264-M489 HydrophobicContact CG-SD 3.75Å |
| 265 | E | 89.8 | Confident | 94.5 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -145.2 | 155.2 | -177.7 | 63.7 | 179.1 | 170.5 | 0 | 0 | 110 | ||
| 266 | P | 93.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | trans | -69.7 | 150.2 | 172.7 | 28 | -32.7 | 0 | 0 | 0 | 111.1 | L182 G268 Y269 M272 T325 | L182-P266 HydrophobicContact CD1-CB 4.36Å; L182-P266 HydrophobicContact CD1-CG 3.49Å; L182-P266 VanDerWaalsContact CD1-CG 3.49Å; L182-P266 HydrophobicContact CG-CG 4.35Å; P266-G268 PolarHBondContact O-N 2.9Å; P266-Y269 HydrophobicContact CG-CD2 4.35Å; P266-Y269 PolarHBondContact O-N 2.93Å; P266-M272 HydrophobicContact CB-SD 3.69Å; P266-M272 HydrophobicContact CG-SD 4Å; P266-T325 HydrophobicContact CB-CG2 4.47Å | ||
| 267 | F | 96.6 | Very high | 94.7 | Very high | 131 Ų | 131 | 49.5 Ų | 49.5 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 121.7 | 177.7 | -179.3 | -92.3 | 0 | 0 | 0 | 111.3 | S321 A324 T325 | F267-S321 VanDerWaalsContact O-CB 3.28Å; F267-S321 WeakPolarHBondContact O-CB 3.48Å; F267-S321 PolarHBondContact O-OG 3.25Å; F267-A324 HydrophobicContact CB-CB 3.82Å; F267-A324 HydrophobicContact CD1-CB 3.52Å; F267-A324 HydrophobicContact CD2-CB 4.19Å; F267-A324 HydrophobicContact CE1-CB 4.11Å; F267-A324 HydrophobicContact CG-CB 3.56Å; F267-T325 PolarHBondContact N-OG1 3.24Å |
| 268 | G | 95.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P266 M270 G271 M272 | P266-G268 PolarHBondContact O-N 2.9Å; G268-M270 VanDerWaalsContact C-N 3.26Å; G268-M270 PolarHBondContact O-N 3.46Å; G268-M270 VanDerWaalsContact O-N 3.14Å; G268-G271 CarbonylContact O-C 3.28Å; G268-G271 VanDerWaalsContact O-CA 3.32Å; G268-G271 WeakPolarHBondContact O-CA 3.42Å; G268-G271 PolarHBondContact O-N 2.95Å; G268-M272 PolarHBondContact O-N 3.13Å |
| 269 | Y | 95.9 | Very high | 94.9 | Very high | 33 Ų | 33 | 51 Ų | 51 | 13% | 0.129 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -41.4 | -50.3 | 178.4 | 165.9 | -90.4 | 0 | 0 | 0 | 113.2 | Y178 T180 L182 W185 P266 G271 M272 V273 | Y178-Y269 WeakPolarHBondContact O-CE1 3.45Å; Y178-Y269 PolarHBondContact O-OH 3.29Å; T180-Y269 PolarHBondContact O-OH 3.43Å; L182-Y269 HydrophobicContact CD1-CD2 4.35Å; L182-Y269 HydrophobicContact CD2-CD2 3.67Å; L182-Y269 HydrophobicContact CD2-CE2 3.52Å; L182-Y269 HydrophobicContact CG-CD2 3.8Å; L182-Y269 HydrophobicContact CG-CE2 3.8Å; W185-Y269 PolarHBondContact NE1-OH 3.49Å; W185-Y269 VanDerWaalsContact NE1-OH 3.16Å; P266-Y269 HydrophobicContact CG-CD2 4.35Å; P266-Y269 PolarHBondContact O-N 2.93Å; Y269-G271 PolarHBondContact O-N 3.44Å; Y269-M272 WeakPolarHBondContact O-CB 3.11Å; Y269-M272 PolarHBondContact O-N 3.27Å; Y269-M272 VanDerWaalsContact O-N 3.09Å; Y269-V273 HydrophobicContact CE1-CG2 3.98Å; Y269-V273 HydrophobicContact CE2-CG2 4.12Å; Y269-V273 PolarHBondContact O-N 3.36Å |
| 270 | M | 96.6 | Very high | 95.1 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 177.4 | -71.5 | -62.1 | -65.6 | 0 | 0 | 112.6 | Y178 G268 M272 V273 W274 | Y178-M270 HydrophobicContact CD1-CE 3.45Å; Y178-M270 VanDerWaalsContact CD1-CE 3.45Å; Y178-M270 HydrophobicContact CD1-SD 3.76Å; Y178-M270 HydrophobicContact CE1-CE 3.62Å; Y178-M270 HydrophobicContact CG-CE 4.22Å; Y178-M270 HydrophobicContact CG-SD 4.31Å; G268-M270 VanDerWaalsContact C-N 3.26Å; G268-M270 PolarHBondContact O-N 3.46Å; G268-M270 VanDerWaalsContact O-N 3.14Å; M270-M272 VanDerWaalsContact C-N 3.27Å; M270-M272 PolarHBondContact O-N 2.9Å; M270-V273 PolarHBondContact O-N 3.25Å; M270-W274 PolarHBondContact O-N 3.12Å |
| 271 | G | 97.4 | Very high | 95.4 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G268 Y269 A275 | G268-G271 CarbonylContact O-C 3.28Å; G268-G271 VanDerWaalsContact O-CA 3.32Å; G268-G271 WeakPolarHBondContact O-CA 3.42Å; G268-G271 PolarHBondContact O-N 2.95Å; Y269-G271 PolarHBondContact O-N 3.44Å; G271-A275 VanDerWaalsContact O-CB 3.22Å; G271-A275 WeakPolarHBondContact O-CB 3.28Å; G271-A275 PolarHBondContact O-N 3.07Å |
| 272 | M | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.4 | -36.1 | 175.2 | -62.8 | -175.6 | 76.9 | 0 | 0 | 112.9 | L182 S254 P266 G268 Y269 M270 M276 W322 | L182-M272 HydrophobicContact CD1-CB 4.01Å; L182-M272 HydrophobicContact CD1-CE 3.8Å; L182-M272 HydrophobicContact CD1-CG 4.5Å; L182-M272 HydrophobicContact CD1-SD 3.65Å; L182-M272 HydrophobicContact CD2-CB 4.18Å; S254-M272 VanDerWaalsContact OG-CE 3.24Å; S254-M272 WeakPolarHBondContact OG-CE 3.41Å; P266-M272 HydrophobicContact CB-SD 3.69Å; P266-M272 HydrophobicContact CG-SD 4Å; G268-M272 PolarHBondContact O-N 3.13Å; Y269-M272 WeakPolarHBondContact O-CB 3.11Å; Y269-M272 PolarHBondContact O-N 3.27Å; Y269-M272 VanDerWaalsContact O-N 3.09Å; M270-M272 VanDerWaalsContact C-N 3.27Å; M270-M272 PolarHBondContact O-N 2.9Å; M272-M276 WeakPolarHBondContact O-CG 3.42Å; M272-M276 PolarHBondContact O-N 3.2Å; M272-M276 VanDerWaalsContact O-N 3.13Å; M272-W322 HydrophobicContact CE-CZ2 4.38Å; M272-W322 VanDerWaalsContact CE-NE1 3.33Å |
| 273 | V | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -52 | 173.9 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | L182 W185 Y269 M270 A275 M276 M277 | L182-V273 HydrophobicContact CD2-CG2 3.55Å; W185-V273 HydrophobicContact CD2-CG1 3.8Å; W185-V273 HydrophobicContact CD2-CG2 4.44Å; W185-V273 HydrophobicContact CE3-CG1 4.16Å; W185-V273 HydrophobicContact CG-CG1 4.29Å; W185-V273 HydrophobicContact CG-CG2 4.15Å; W185-V273 HydrophobicContact CH2-CG1 4.13Å; W185-V273 HydrophobicContact CZ2-CG1 3.77Å; W185-V273 HydrophobicContact CZ3-CG1 4.32Å; Y269-V273 HydrophobicContact CE1-CG2 3.98Å; Y269-V273 HydrophobicContact CE2-CG2 4.12Å; Y269-V273 PolarHBondContact O-N 3.36Å; M270-V273 PolarHBondContact O-N 3.25Å; V273-A275 VanDerWaalsContact C-N 3.31Å; V273-A275 PolarHBondContact O-N 3.43Å; V273-M276 PolarHBondContact O-N 3.43Å; V273-M276 VanDerWaalsContact O-N 3.14Å; V273-M277 HydrophobicContact CG1-CE 4.02Å; V273-M277 PolarHBondContact O-N 2.93Å |
| 274 | W | 98.2 | Very high | 96.3 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 51% | 0.511 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 177.2 | -74 | 111.9 | 0 | 0 | 0 | 112.1 | M270 M276 M277 S278 | M270-W274 PolarHBondContact O-N 3.12Å; W274-M276 PolarHBondContact O-N 2.88Å; W274-M277 HydrophobicContact CD2-CE 3.48Å; W274-M277 VanDerWaalsContact CD2-CE 3.48Å; W274-M277 HydrophobicContact CE3-CE 3.11Å; W274-M277 HydrophobicContact CG-CE 4.19Å; W274-M277 HydrophobicContact CH2-CE 3.81Å; W274-M277 HydrophobicContact CZ2-CE 4.17Å; W274-M277 HydrophobicContact CZ3-CE 3.28Å; W274-M277 PolarHBondContact O-N 3.23Å; W274-S278 WeakPolarHBondContact O-CB 3.38Å; W274-S278 PolarHBondContact O-N 2.98Å; W274-S278 PolarHBondContact O-OG 3.36Å; W274-S278 VanDerWaalsContact O-OG 3.06Å |
| 275 | A | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G271 V273 S278 I279 P314 V317 K318 | G271-A275 VanDerWaalsContact O-CB 3.22Å; G271-A275 WeakPolarHBondContact O-CB 3.28Å; G271-A275 PolarHBondContact O-N 3.07Å; V273-A275 VanDerWaalsContact C-N 3.31Å; V273-A275 PolarHBondContact O-N 3.43Å; A275-S278 PolarHBondContact O-N 3.32Å; A275-I279 VanDerWaalsContact O-CG1 3.27Å; A275-I279 WeakPolarHBondContact O-CG1 3.32Å; A275-I279 PolarHBondContact O-N 2.95Å; A275-P314 HydrophobicContact CB-CB 3.91Å; A275-P314 WeakPolarHBondContact CB-O 3.36Å; A275-V317 HydrophobicContact CB-CB 4.4Å; A275-V317 HydrophobicContact CB-CG1 4.29Å; A275-K318 HydrophobicContact CB-CD 4.09Å; A275-K318 HydrophobicContact CB-CG 3.73Å |
| 276 | M | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 176.8 | -68.3 | -177.4 | -61.4 | 0 | 0 | 112.1 | L182 W185 I189 L247 M272 V273 W274 I279 G280 K318 | L182-M276 HydrophobicContact CB-CE 4.49Å; L182-M276 HydrophobicContact CD2-CE 3.76Å; W185-M276 HydrophobicContact CB-CE 3.74Å; I189-M276 HydrophobicContact CD1-CB 3.43Å; I189-M276 VanDerWaalsContact CD1-CB 3.43Å; L247-M276 HydrophobicContact CD2-CB 4.29Å; L247-M276 HydrophobicContact CD2-CG 4.29Å; M272-M276 WeakPolarHBondContact O-CG 3.42Å; M272-M276 PolarHBondContact O-N 3.2Å; M272-M276 VanDerWaalsContact O-N 3.13Å; V273-M276 PolarHBondContact O-N 3.43Å; V273-M276 VanDerWaalsContact O-N 3.14Å; W274-M276 PolarHBondContact O-N 2.88Å; M276-I279 PolarHBondContact O-N 3.39Å; M276-G280 PolarHBondContact O-N 3.36Å; M276-K318 HydrophobicContact CG-CD 3.92Å; M276-K318 PolarHBondContact SD-NZ 2.9Å |
| 277 | M | 98.2 | Very high | 97.4 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 26% | 0.256 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.3 | -68.2 | -170.8 | -59.8 | 0 | 0 | 111.5 | W185 I189 V273 W274 G280 F281 | W185-M277 HydrophobicContact CH2-SD 4.43Å; W185-M277 HydrophobicContact CZ3-SD 4.06Å; I189-M277 HydrophobicContact CD1-CG 3.84Å; I189-M277 HydrophobicContact CG1-CG 4.35Å; V273-M277 HydrophobicContact CG1-CE 4.02Å; V273-M277 PolarHBondContact O-N 2.93Å; W274-M277 HydrophobicContact CD2-CE 3.48Å; W274-M277 VanDerWaalsContact CD2-CE 3.48Å; W274-M277 HydrophobicContact CE3-CE 3.11Å; W274-M277 HydrophobicContact CG-CE 4.19Å; W274-M277 HydrophobicContact CH2-CE 3.81Å; W274-M277 HydrophobicContact CZ2-CE 4.17Å; W274-M277 HydrophobicContact CZ3-CE 3.28Å; W274-M277 PolarHBondContact O-N 3.23Å; M277-G280 PolarHBondContact O-N 3.27Å; M277-F281 PolarHBondContact O-N 3.13Å |
| 278 | S | 98.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 173.9 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | W274 A275 G280 F281 L282 | W274-S278 WeakPolarHBondContact O-CB 3.38Å; W274-S278 PolarHBondContact O-N 2.98Å; W274-S278 PolarHBondContact O-OG 3.36Å; W274-S278 VanDerWaalsContact O-OG 3.06Å; A275-S278 PolarHBondContact O-N 3.32Å; S278-G280 VanDerWaalsContact C-N 3.35Å; S278-G280 PolarHBondContact O-N 3.44Å; S278-F281 PolarHBondContact O-N 2.9Å; S278-L282 VanDerWaalsContact O-CB 3.25Å; S278-L282 WeakPolarHBondContact O-CB 3.5Å; S278-L282 WeakPolarHBondContact O-CG 3.19Å; S278-L282 PolarHBondContact O-N 3.35Å |
| 279 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.6 | -69.1 | 163.2 | 0 | 0 | 0 | 110.5 | Y243 L247 F250 A275 M276 F281 L282 G283 I311 P314 K318 | Y243-I279 HydrophobicContact CD1-CG2 3.48Å; Y243-I279 VanDerWaalsContact CD1-CG2 3.48Å; Y243-I279 HydrophobicContact CD2-CG2 4.29Å; Y243-I279 HydrophobicContact CE1-CG2 3.75Å; Y243-I279 HydrophobicContact CE2-CG2 4.47Å; Y243-I279 HydrophobicContact CG-CG2 3.82Å; L247-I279 HydrophobicContact CD2-CB 4.49Å; L247-I279 HydrophobicContact CD2-CG2 4.14Å; F250-I279 HydrophobicContact CE2-CD1 4.07Å; A275-I279 VanDerWaalsContact O-CG1 3.27Å; A275-I279 WeakPolarHBondContact O-CG1 3.32Å; A275-I279 PolarHBondContact O-N 2.95Å; M276-I279 PolarHBondContact O-N 3.39Å; I279-F281 PolarHBondContact O-N 3.46Å; I279-L282 PolarHBondContact O-N 2.96Å; I279-G283 PolarHBondContact O-N 3.27Å; I279-I311 HydrophobicContact CG1-CG2 4.46Å; I279-P314 HydrophobicContact CD1-CB 4.35Å; I279-P314 HydrophobicContact CG1-CB 3.97Å; I279-P314 HydrophobicContact CG1-CG 3.83Å; I279-K318 HydrophobicContact CD1-CD 4.08Å |
| 280 | G | 97.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L193 M276 M277 S278 | L193-G280 WeakPolarHBondContact CD2-O 3.23Å; M276-G280 PolarHBondContact O-N 3.36Å; M277-G280 PolarHBondContact O-N 3.27Å; S278-G280 VanDerWaalsContact C-N 3.35Å; S278-G280 PolarHBondContact O-N 3.44Å |
| 281 | F | 97.9 | Very high | 97.7 | Very high | 144 Ų | 144 | 31.2 Ų | 31.2 | 63% | 0.632 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -66.2 | -49.9 | 176.9 | 175.7 | -98.9 | 0 | 0 | 0 | 112.2 | M277 S278 I279 G283 F284 I285 | M277-F281 PolarHBondContact O-N 3.13Å; S278-F281 PolarHBondContact O-N 2.9Å; I279-F281 PolarHBondContact O-N 3.46Å; F281-G283 PolarHBondContact O-N 2.9Å; F281-F284 PolarHBondContact O-N 3.42Å; F281-I285 HydrophobicContact CE1-CD1 4.35Å |
| 282 | L | 96.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 29.8 Ų | 29.8 | 13% | 0.131 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -27.7 | -178.2 | -69 | 173.2 | 0 | 0 | 0 | 111.8 | S278 I279 F284 I285 I310 I311 P314 | S278-L282 VanDerWaalsContact O-CB 3.25Å; S278-L282 WeakPolarHBondContact O-CB 3.5Å; S278-L282 WeakPolarHBondContact O-CG 3.19Å; S278-L282 PolarHBondContact O-N 3.35Å; I279-L282 PolarHBondContact O-N 2.96Å; L282-F284 PolarHBondContact O-N 2.69Å; L282-F284 VanDerWaalsContact O-N 3.16Å; L282-I285 HydrophobicContact CD2-CD1 3.7Å; L282-I285 HydrophobicContact CD2-CG1 4.22Å; L282-I285 VanDerWaalsContact O-CG1 3.32Å; L282-I285 WeakPolarHBondContact O-CG1 3.29Å; L282-I285 PolarHBondContact O-N 3.3Å; L282-I310 HydrophobicContact CD1-CG2 4Å; L282-I311 HydrophobicContact CB-CD1 3.95Å; L282-I311 HydrophobicContact CB-CG1 3.77Å; L282-I311 HydrophobicContact CD1-CG1 3.92Å; L282-I311 HydrophobicContact CG-CG1 4.45Å; L282-P314 HydrophobicContact CD1-CG 4.37Å |
| 283 | G | 94.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P240 I279 F281 | P240-G283 WeakPolarHBondContact CD-O 3.36Å; I279-G283 PolarHBondContact O-N 3.27Å; F281-G283 PolarHBondContact O-N 2.9Å |
| 284 | F | 97.5 | Very high | 97.6 | Very high | 36 Ų | 36 | 34.8 Ų | 34.8 | 16% | 0.158 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.7 | 176 | -77.1 | -70.7 | 0 | 0 | 0 | 114.7 | L193 L196 F236 P240 F281 L282 W287 | L193-F284 HydrophobicContact CD2-CD2 4.08Å; L193-F284 HydrophobicContact CD2-CE2 3.36Å; L193-F284 HydrophobicContact CD2-CZ 4.07Å; L196-F284 HydrophobicContact CB-CE1 4.23Å; L196-F284 HydrophobicContact CB-CE2 4.25Å; L196-F284 HydrophobicContact CB-CZ 3.59Å; L196-F284 HydrophobicContact CD1-CE2 4.17Å; L196-F284 HydrophobicContact CD1-CZ 4.35Å; F236-F284 AromaticContact CE1-CD1 3.97Å; F236-F284 HydrophobicContact CE1-CD1 3.97Å; F236-F284 HydrophobicContact CE1-CE1 4.1Å; F236-F284 HydrophobicContact CE2-CD1 4.32Å; F236-F284 AromaticContact CZ-CD1 3.74Å; F236-F284 HydrophobicContact CZ-CD1 3.74Å; F236-F284 HydrophobicContact CZ-CE1 4.29Å; P240-F284 HydrophobicContact CB-CE1 4.09Å; P240-F284 HydrophobicContact CB-CZ 4.2Å; P240-F284 HydrophobicContact CG-CD1 3.65Å; P240-F284 HydrophobicContact CG-CE1 3.61Å; P240-F284 HydrophobicContact CG-CG 4.22Å; P240-F284 HydrophobicContact CG-CZ 4.16Å; F281-F284 PolarHBondContact O-N 3.42Å; L282-F284 PolarHBondContact O-N 2.69Å; L282-F284 VanDerWaalsContact O-N 3.16Å; F284-W287 WeakPolarHBondContact O-CZ3 3.41Å |
| 285 | I | 97.3 | Very high | 97.4 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -118.2 | 12.1 | -175.1 | 68.7 | 169 | 0 | 0 | 0 | 113.7 | F281 L282 F304 | F281-I285 HydrophobicContact CE1-CD1 4.35Å; L282-I285 HydrophobicContact CD2-CD1 3.7Å; L282-I285 HydrophobicContact CD2-CG1 4.22Å; L282-I285 VanDerWaalsContact O-CG1 3.32Å; L282-I285 WeakPolarHBondContact O-CG1 3.29Å; L282-I285 PolarHBondContact O-N 3.3Å; I285-F304 WeakPolarHBondContact O-CE1 3.23Å |
| 286 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -124.5 | 1.9 | -177.4 | -60 | 0 | 0 | 0 | 0 | 114.4 | H239 A288 H289 A307 I311 | H239-V286 WeakPolarHBondContact CD2-CG2 3.29Å; H239-V286 WeakPolarHBondContact NE2-CG2 3.4Å; V286-A288 PolarHBondContact O-N 2.91Å; V286-H289 PolarHBondContact O-CE1 3.02Å; V286-H289 VanDerWaalsContact O-CG 3.3Å; V286-H289 PolarHBondContact O-N 2.71Å; V286-H289 PolarHBondContact O-ND1 2.78Å; V286-A307 HydrophobicContact CG1-CB 3.87Å; V286-I311 HydrophobicContact CB-CD1 4.2Å; V286-I311 HydrophobicContact CG1-CD1 3.73Å; V286-I311 HydrophobicContact CG1-CG1 4.44Å; V286-I311 HydrophobicContact CG2-CD1 3.61Å | ||
| 287 | W | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 21% | 0.212 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -56.1 | -32.4 | -168.1 | 73.4 | 94.1 | 0 | 0 | 0 | 114.9 | H232 W235 F236 H239 F284 H289 H290 F304 | H232-W287 AromaticContact ND1-NE1 3.55Å; W235-W287 HydrophobicContact CB-CB 4.26Å; W235-W287 VanDerWaalsContact O-CB 3.27Å; W235-W287 WeakPolarHBondContact O-CB 3.24Å; F236-W287 HydrophobicContact CB-CG 4.37Å; F236-W287 HydrophobicContact CD2-CD2 4.07Å; F236-W287 HydrophobicContact CD2-CE3 4.05Å; F236-W287 HydrophobicContact CD2-CZ3 4.33Å; F236-W287 HydrophobicContact CE2-CZ3 4.49Å; H239-W287 HydrophobicContact CB-CB 4.11Å; F284-W287 WeakPolarHBondContact O-CZ3 3.41Å; W287-H289 PolarHBondContact O-N 3.15Å; W287-H290 PolarHBondContact O-CD2 2.92Å; W287-H290 PolarHBondContact O-N 3.38Å; W287-F304 HydrophobicContact CD2-CE1 4.21Å; W287-F304 HydrophobicContact CD2-CZ 4.31Å; W287-F304 HydrophobicContact CE3-CE1 4.05Å; W287-F304 HydrophobicContact CE3-CZ 4.28Å; W287-F304 HydrophobicContact CH2-CE1 4.49Å; W287-F304 AromaticContact CH2-CZ 3.94Å; W287-F304 HydrophobicContact CH2-CZ 3.94Å; W287-F304 AromaticContact CZ2-CZ 3.96Å; W287-F304 HydrophobicContact CZ2-CZ 3.96Å; W287-F304 HydrophobicContact CZ3-CE1 4.21Å; W287-F304 HydrophobicContact CZ3-CZ 4.11Å |
| 288 | A | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -75.7 | -1.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V286 H290 M291 M296 F304 | V286-A288 PolarHBondContact O-N 2.91Å; A288-H290 PolarHBondContact O-N 3.48Å; A288-M291 HydrophobicContact CB-SD 4.48Å; A288-M291 WeakPolarHBondContact O-CA 3.15Å; A288-M291 WeakPolarHBondContact O-CB 3.47Å; A288-M291 PolarHBondContact O-N 2.97Å; A288-M296 HydrophobicContact CB-CE 4Å; A288-M296 HydrophobicContact CB-SD 4Å; A288-M296 VanDerWaalsContact O-CE 3.28Å; A288-M296 WeakPolarHBondContact O-CE 3.41Å; A288-F304 HydrophobicContact CB-CD1 3.82Å; A288-F304 HydrophobicContact CB-CD2 3.66Å; A288-F304 HydrophobicContact CB-CE1 3.63Å; A288-F304 HydrophobicContact CB-CE2 3.46Å; A288-F304 VanDerWaalsContact CB-CE2 3.46Å; A288-F304 HydrophobicContact CB-CG 3.85Å; A288-F304 HydrophobicContact CB-CZ 3.45Å; A288-F304 VanDerWaalsContact CB-CZ 3.45Å |
| 289 | H | 98.2 | Very high | 97 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 11% | 0.111 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -62.9 | -20.5 | 169 | 61.4 | -132.5 | 0 | 0 | 0 | 113.1 | H239 V286 W287 M291 F292 T308 | H239-H289 AromaticContact CE1-CE1 3.01Å; H239-H289 PolarHBondContact CE1-CE1 2.87Å; H239-H289 AromaticContact CE1-NE2 3.21Å; H239-H289 PolarHBondContact CE1-NE2 3.37Å; H239-H289 AromaticContact CG-CE1 3.85Å; H239-H289 AromaticContact CG-NE2 3.89Å; H239-H289 AromaticContact ND1-CE1 3.07Å; H239-H289 PolarHBondContact ND1-CE1 2.94Å; H239-H289 AromaticContact ND1-NE2 2.89Å; H239-H289 PolarHBondContact ND1-NE2 3.29Å; H239-H289 AromaticContact NE2-CE1 3.65Å; V286-H289 PolarHBondContact O-CE1 3.02Å; V286-H289 VanDerWaalsContact O-CG 3.3Å; V286-H289 PolarHBondContact O-N 2.71Å; V286-H289 PolarHBondContact O-ND1 2.78Å; W287-H289 PolarHBondContact O-N 3.15Å; H289-M291 PolarHBondContact O-N 3.43Å; H289-F292 HydrophobicContact CB-CD2 4.19Å; H289-F292 HydrophobicContact CB-CE1 4.2Å; H289-F292 HydrophobicContact CB-CE2 3.47Å; H289-F292 VanDerWaalsContact CB-CE2 3.47Å; H289-F292 HydrophobicContact CB-CZ 3.49Å; H289-F292 VanDerWaalsContact CB-CZ 3.49Å; H289-F292 VanDerWaalsContact O-CD2 3.23Å; H289-F292 WeakPolarHBondContact O-CD2 3.44Å; H289-T308 VanDerWaalsContact ND1-CG2 3.29Å; H289-T308 WeakPolarHBondContact ND1-CG2 3.18Å; H289-T308 PolarHBondContact ND1-OG1 3.07Å |
| 290 | H | 98.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 45 Ų | 45 | 21% | 0.213 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -75.8 | 0.5 | 172.7 | -63.5 | -70.5 | 0 | 0 | 0 | 113 | W235 H239 W287 A288 H367 | W235-H290 HydrophobicContact CD2-CB 3.4Å; W235-H290 VanDerWaalsContact CD2-CB 3.4Å; W235-H290 AromaticContact CD2-CD2 3.55Å; W235-H290 AromaticContact CD2-CG 3.55Å; W235-H290 AromaticContact CE2-CG 3.75Å; W235-H290 HydrophobicContact CE3-CB 3.97Å; W235-H290 AromaticContact CE3-CD2 3.24Å; W235-H290 AromaticContact CE3-CG 3.55Å; W235-H290 AromaticContact CE3-NE2 3.64Å; W235-H290 HydrophobicContact CG-CB 3.67Å; W235-H290 HydrophobicContact CH2-CB 4.31Å; W235-H290 AromaticContact CH2-CG 4Å; W235-H290 AromaticContact CH2-ND1 3.89Å; W235-H290 HydrophobicContact CZ2-CB 3.79Å; W235-H290 AromaticContact CZ2-CG 3.99Å; W235-H290 HydrophobicContact CZ3-CB 4.38Å; W235-H290 AromaticContact CZ3-CD2 3.71Å; W235-H290 AromaticContact CZ3-CE1 3.81Å; W235-H290 AromaticContact CZ3-CG 3.78Å; W235-H290 AromaticContact CZ3-ND1 3.85Å; W235-H290 AromaticContact CZ3-NE2 3.71Å; H239-H290 AromaticContact ND1-NE2 3.29Å; H239-H290 PolarHBondContact ND1-NE2 2.72Å; W287-H290 PolarHBondContact O-CD2 2.92Å; W287-H290 PolarHBondContact O-N 3.38Å; A288-H290 PolarHBondContact O-N 3.48Å; H290-H367 PolarHBondContact O-CE1 2.92Å |
| 291 | M | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -126.4 | 14.5 | -171.5 | -56.2 | 173.5 | 61.3 | 0 | 0 | 111.6 | I228 Q231 H232 A288 H289 T293 V294 M296 | I228-M291 HydrophobicContact CG2-CE 3.78Å; Q231-M291 HydrophobicContact CB-CE 3.61Å; Q231-M291 HydrophobicContact CB-CG 4.42Å; Q231-M291 HydrophobicContact CB-SD 4.07Å; H232-M291 VanDerWaalsContact CD2-CE 3.46Å; H232-M291 WeakPolarHBondContact CD2-CE 3.21Å; H232-M291 WeakPolarHBondContact NE2-CE 3.28Å; A288-M291 HydrophobicContact CB-SD 4.48Å; A288-M291 WeakPolarHBondContact O-CA 3.15Å; A288-M291 WeakPolarHBondContact O-CB 3.47Å; A288-M291 PolarHBondContact O-N 2.97Å; H289-M291 PolarHBondContact O-N 3.43Å; M291-T293 PolarHBondContact O-N 2.86Å; M291-V294 HydrophobicContact CB-CG1 3.97Å; M291-V294 HydrophobicContact CB-CG2 4.03Å; M291-V294 HydrophobicContact CE-CG2 4.19Å; M291-V294 VanDerWaalsContact O-CG2 3.25Å; M291-V294 WeakPolarHBondContact O-CG2 3.27Å; M291-V294 PolarHBondContact O-N 2.94Å; M291-M296 HydrophobicContact CB-CE 4.04Å; M291-M296 WeakPolarHBondContact O-CE 3.16Å |
| 292 | F | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.4 | -174.4 | -73.1 | -37.6 | 0 | 0 | 0 | 114.7 | H289 M296 R301 F304 D363 | H289-F292 HydrophobicContact CB-CD2 4.19Å; H289-F292 HydrophobicContact CB-CE1 4.2Å; H289-F292 HydrophobicContact CB-CE2 3.47Å; H289-F292 VanDerWaalsContact CB-CE2 3.47Å; H289-F292 HydrophobicContact CB-CZ 3.49Å; H289-F292 VanDerWaalsContact CB-CZ 3.49Å; H289-F292 VanDerWaalsContact O-CD2 3.23Å; H289-F292 WeakPolarHBondContact O-CD2 3.44Å; F292-M296 HydrophobicContact CD1-CE 3.96Å; F292-R301 HydrophobicContact CD1-CB 4.4Å; F292-R301 HydrophobicContact CD1-CG 4.05Å; F292-F304 HydrophobicContact CE1-CB 3.68Å; F292-F304 HydrophobicContact CZ-CB 4.07Å; F292-D363 HydrophobicContact CB-CB 4.37Å; F292-D363 HydrophobicContact CD2-CB 3.84Å |
| 293 | T | 96.5 | Very high | 96.9 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4 | 179.5 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | M291 G295 H367 | M291-T293 PolarHBondContact O-N 2.86Å; T293-G295 PolarHBondContact O-N 3.31Å; T293-H367 HydrophobicContact CG2-CB 3.49Å; T293-H367 VanDerWaalsContact CG2-CB 3.49Å; T293-H367 VanDerWaalsContact CG2-CG 3.49Å; T293-H367 PolarHBondContact OG1-CD2 2.73Å; T293-H367 VanDerWaalsContact OG1-CD2 3.3Å; T293-H367 PolarHBondContact OG1-NE2 3.03Å |
| 294 | V | 96.1 | Very high | 97.1 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -79.7 | 0.7 | -177.8 | -48.3 | 0 | 0 | 0 | 0 | 114.1 | I228 M291 M296 | I228-V294 HydrophobicContact CD1-CB 4.44Å; I228-V294 HydrophobicContact CG2-CG2 4.21Å; M291-V294 HydrophobicContact CB-CG1 3.97Å; M291-V294 HydrophobicContact CB-CG2 4.03Å; M291-V294 HydrophobicContact CE-CG2 4.19Å; M291-V294 VanDerWaalsContact O-CG2 3.25Å; M291-V294 WeakPolarHBondContact O-CG2 3.27Å; M291-V294 PolarHBondContact O-N 2.94Å; V294-M296 HydrophobicContact CG2-CG 3.88Å |
| 295 | G | 95.1 | Very high | 97.1 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 73% | 0.732 | 26% | 0.264 | S | S | * | . | trans | 88.7 | 25.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T293 | T293-G295 PolarHBondContact O-N 3.31Š| ||
| 296 | M | 95.3 | Very high | 97.1 | Very high | 24 Ų | 24 | 48.2 Ų | 48.2 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | trans | -58.3 | 149.5 | 170.1 | -66.4 | -170.6 | -70.1 | 0 | 0 | 111.7 | A288 M291 F292 V294 T300 R301 | A288-M296 HydrophobicContact CB-CE 4Å; A288-M296 HydrophobicContact CB-SD 4Å; A288-M296 VanDerWaalsContact O-CE 3.28Å; A288-M296 WeakPolarHBondContact O-CE 3.41Å; M291-M296 HydrophobicContact CB-CE 4.04Å; M291-M296 WeakPolarHBondContact O-CE 3.16Å; F292-M296 HydrophobicContact CD1-CE 3.96Å; V294-M296 HydrophobicContact CG2-CG 3.88Å; M296-T300 HydrophobicContact CB-CG2 4.26Å; M296-T300 HydrophobicContact CG-CG2 4.46Å; M296-T300 HydrophobicContact SD-CG2 3.69Å; M296-R301 HydrophobicContact CB-CG 4Å; M296-R301 HydrophobicContact CE-CG 4.34Å; M296-R301 PolarHBondContact O-NE 3.08Å | ||
| 297 | D | 95.9 | Very high | 97.1 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 48% | 0.476 | 28% | 0.279 | S | S | . | . | trans | -60.9 | 162.6 | 177.2 | 70.2 | -90.5 | 0 | 0 | 0 | 112.3 | D299 T300 R301 | D297-D299 VanDerWaalsContact C-N 3.33Å; D297-D299 PolarHBondContact O-N 3.5Å; D297-D299 PolarHBondContact OD2-N 3.45Å; D297-T300 VanDerWaalsContact CG-OG1 3.26Å; D297-T300 VanDerWaalsContact OD1-CB 3.3Å; D297-T300 WeakPolarHBondContact OD1-CB 3.46Å; D297-T300 PolarHBondContact OD1-OG1 3.33Å; D297-T300 PolarHBondContact OD2-N 3.2Å; D297-T300 PolarHBondContact OD2-OG1 3.4Å; D297-R301 WeakPolarHBondContact O-CG 3.37Å; D297-R301 PolarHBondContact O-N 3.16Å; D297-R301 VanDerWaalsContact O-N 3.11Å | ||
| 298 | V | 95.6 | Very high | 97.1 | Very high | 98 Ų | 98 | 46.9 Ų | 46.9 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.3 | -39.3 | -173.9 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | R301 A302 | V298-R301 PolarHBondContact O-N 2.9Å; V298-A302 WeakPolarHBondContact O-CB 3.16Å; V298-A302 PolarHBondContact O-N 2.87Å |
| 299 | D | 97.3 | Very high | 97.1 | Very high | 131 Ų | 131 | 49.9 Ų | 49.9 | 70% | 0.701 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -72.2 | -41 | -175.7 | -65.9 | -22.8 | 0 | 0 | 0 | 110.8 | D297 R301 A302 Y303 | D297-D299 VanDerWaalsContact C-N 3.33Å; D297-D299 PolarHBondContact O-N 3.5Å; D297-D299 PolarHBondContact OD2-N 3.45Å; D299-R301 PolarHBondContact O-N 3.17Å; D299-A302 PolarHBondContact O-N 2.68Å; D299-Y303 WeakPolarHBondContact O-CB 3.32Å; D299-Y303 PolarHBondContact O-N 3.35Å |
| 300 | T | 96.8 | Very high | 97 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 172.6 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | M296 D297 A302 Y303 F304 | M296-T300 HydrophobicContact CB-CG2 4.26Å; M296-T300 HydrophobicContact CG-CG2 4.46Å; M296-T300 HydrophobicContact SD-CG2 3.69Å; D297-T300 VanDerWaalsContact CG-OG1 3.26Å; D297-T300 VanDerWaalsContact OD1-CB 3.3Å; D297-T300 WeakPolarHBondContact OD1-CB 3.46Å; D297-T300 PolarHBondContact OD1-OG1 3.33Å; D297-T300 PolarHBondContact OD2-N 3.2Å; D297-T300 PolarHBondContact OD2-OG1 3.4Å; T300-A302 PolarHBondContact O-N 3.39Å; T300-Y303 PolarHBondContact O-N 2.8Å; T300-F304 HydrophobicContact CG2-CD2 3.75Å; T300-F304 HydrophobicContact CG2-CE2 3.85Å; T300-F304 VanDerWaalsContact O-CD2 3.31Å; T300-F304 WeakPolarHBondContact O-CD2 3.44Å; T300-F304 PolarHBondContact O-N 3.48Å |
| 301 | R | 96.8 | Very high | 97 | Very high | 59 Ų | 59 | 51 Ų | 51 | 22% | 0.223 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -39 | 176.4 | -70.7 | -171 | -67.9 | 155.3 | 2.1 | 112.6 | F292 M296 D297 V298 D299 T305 | F292-R301 HydrophobicContact CD1-CB 4.4Å; F292-R301 HydrophobicContact CD1-CG 4.05Å; M296-R301 HydrophobicContact CB-CG 4Å; M296-R301 HydrophobicContact CE-CG 4.34Å; M296-R301 PolarHBondContact O-NE 3.08Å; D297-R301 WeakPolarHBondContact O-CG 3.37Å; D297-R301 PolarHBondContact O-N 3.16Å; D297-R301 VanDerWaalsContact O-N 3.11Å; V298-R301 PolarHBondContact O-N 2.9Å; D299-R301 PolarHBondContact O-N 3.17Å; R301-T305 VanDerWaalsContact O-CB 3.28Å; R301-T305 WeakPolarHBondContact O-CB 3.3Å; R301-T305 PolarHBondContact O-N 3Å; R301-T305 PolarHBondContact O-OG1 2.98Å |
| 302 | A | 96.9 | Very high | 97 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V298 D299 T300 S306 | V298-A302 WeakPolarHBondContact O-CB 3.16Å; V298-A302 PolarHBondContact O-N 2.87Å; D299-A302 PolarHBondContact O-N 2.68Å; T300-A302 PolarHBondContact O-N 3.39Å; A302-S306 WeakPolarHBondContact O-CB 3.33Å; A302-S306 PolarHBondContact O-N 3.3Å; A302-S306 PolarHBondContact O-OG 3.13Å |
| 303 | Y | 98.1 | Very high | 97 | Very high | 119 Ų | 119 | 58.1 Ų | 58.1 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.1 | -56.4 | 173.1 | 169.6 | -96.5 | 0 | 0 | 0 | 111.1 | D299 T300 T305 S306 A307 | D299-Y303 WeakPolarHBondContact O-CB 3.32Å; D299-Y303 PolarHBondContact O-N 3.35Å; T300-Y303 PolarHBondContact O-N 2.8Å; Y303-T305 VanDerWaalsContact C-N 3.28Å; Y303-T305 PolarHBondContact O-N 3.24Å; Y303-S306 PolarHBondContact O-N 2.91Å; Y303-S306 VanDerWaalsContact O-N 3.12Å; Y303-A307 HydrophobicContact CE1-CB 4.4Å; Y303-A307 WeakPolarHBondContact O-CB 3.37Å; Y303-A307 PolarHBondContact O-N 3.25Å |
| 304 | F | 98.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.9 | -31 | -176.6 | -83.7 | -73.2 | 0 | 0 | 0 | 112.5 | I285 W287 A288 F292 T300 T308 | I285-F304 WeakPolarHBondContact O-CE1 3.23Å; W287-F304 HydrophobicContact CD2-CE1 4.21Å; W287-F304 HydrophobicContact CD2-CZ 4.31Å; W287-F304 HydrophobicContact CE3-CE1 4.05Å; W287-F304 HydrophobicContact CE3-CZ 4.28Å; W287-F304 HydrophobicContact CH2-CE1 4.49Å; W287-F304 AromaticContact CH2-CZ 3.94Å; W287-F304 HydrophobicContact CH2-CZ 3.94Å; W287-F304 AromaticContact CZ2-CZ 3.96Å; W287-F304 HydrophobicContact CZ2-CZ 3.96Å; W287-F304 HydrophobicContact CZ3-CE1 4.21Å; W287-F304 HydrophobicContact CZ3-CZ 4.11Å; A288-F304 HydrophobicContact CB-CD1 3.82Å; A288-F304 HydrophobicContact CB-CD2 3.66Å; A288-F304 HydrophobicContact CB-CE1 3.63Å; A288-F304 HydrophobicContact CB-CE2 3.46Å; A288-F304 VanDerWaalsContact CB-CE2 3.46Å; A288-F304 HydrophobicContact CB-CG 3.85Å; A288-F304 HydrophobicContact CB-CZ 3.45Å; A288-F304 VanDerWaalsContact CB-CZ 3.45Å; F292-F304 HydrophobicContact CE1-CB 3.68Å; F292-F304 HydrophobicContact CZ-CB 4.07Å; T300-F304 HydrophobicContact CG2-CD2 3.75Å; T300-F304 HydrophobicContact CG2-CE2 3.85Å; T300-F304 VanDerWaalsContact O-CD2 3.31Å; T300-F304 WeakPolarHBondContact O-CD2 3.44Å; T300-F304 PolarHBondContact O-N 3.48Å; F304-T308 WeakPolarHBondContact O-CB 3.49Å; F304-T308 PolarHBondContact O-N 3.14Å; F304-T308 PolarHBondContact O-OG1 2.63Å |
| 305 | T | 97.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.2 | -53.7 | 170.3 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | R301 Y303 T308 M309 A358 S360 | R301-T305 VanDerWaalsContact O-CB 3.28Å; R301-T305 WeakPolarHBondContact O-CB 3.3Å; R301-T305 PolarHBondContact O-N 3Å; R301-T305 PolarHBondContact O-OG1 2.98Å; Y303-T305 VanDerWaalsContact C-N 3.28Å; Y303-T305 PolarHBondContact O-N 3.24Å; T305-T308 PolarHBondContact O-N 2.95Å; T305-M309 HydrophobicContact CG2-CE 3.77Å; T305-M309 HydrophobicContact CG2-SD 4.19Å; T305-M309 WeakPolarHBondContact O-CG 3.46Å; T305-M309 PolarHBondContact O-N 3.05Å; T305-A358 WeakPolarHBondContact CA-O 3.41Å; T305-A358 WeakPolarHBondContact CG2-O 3.16Å; T305-S360 VanDerWaalsContact OG1-CB 3.3Å; T305-S360 WeakPolarHBondContact OG1-CB 3.04Å; T305-S360 PolarHBondContact OG1-N 3.47Å; T305-S360 PolarHBondContact OG1-OG 3.32Å |
| 306 | S | 97.4 | Very high | 97.2 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 49% | 0.49 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | -177.3 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | A302 Y303 T308 M309 I310 | A302-S306 WeakPolarHBondContact O-CB 3.33Å; A302-S306 PolarHBondContact O-N 3.3Å; A302-S306 PolarHBondContact O-OG 3.13Å; Y303-S306 PolarHBondContact O-N 2.91Å; Y303-S306 VanDerWaalsContact O-N 3.12Å; S306-T308 PolarHBondContact O-N 3Å; S306-M309 PolarHBondContact O-N 3.2Å; S306-I310 WeakPolarHBondContact O-CG1 3.3Å; S306-I310 PolarHBondContact O-N 3.29Å; S306-I310 VanDerWaalsContact O-N 3.1Å |
| 307 | A | 97.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | V286 Y303 I310 | V286-A307 HydrophobicContact CG1-CB 3.87Å; Y303-A307 HydrophobicContact CE1-CB 4.4Å; Y303-A307 WeakPolarHBondContact O-CB 3.37Å; Y303-A307 PolarHBondContact O-N 3.25Å; A307-I310 PolarHBondContact O-N 2.84Å |
| 308 | T | 97.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | H289 F304 T305 S306 I310 I311 A358 | H289-T308 VanDerWaalsContact ND1-CG2 3.29Å; H289-T308 WeakPolarHBondContact ND1-CG2 3.18Å; H289-T308 PolarHBondContact ND1-OG1 3.07Å; F304-T308 WeakPolarHBondContact O-CB 3.49Å; F304-T308 PolarHBondContact O-N 3.14Å; F304-T308 PolarHBondContact O-OG1 2.63Å; T305-T308 PolarHBondContact O-N 2.95Å; S306-T308 PolarHBondContact O-N 3Å; T308-I310 VanDerWaalsContact C-N 3.28Å; T308-I310 PolarHBondContact O-N 3.42Å; T308-I311 WeakPolarHBondContact O-CB 3.41Å; T308-I311 PolarHBondContact O-N 2.93Å; T308-A358 HydrophobicContact CG2-CB 3.53Å |
| 309 | M | 97.6 | Very high | 97.6 | Very high | 63 Ų | 63 | 46 Ų | 46 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -32.3 | 177.6 | -71.7 | -179.5 | -179.2 | 0 | 0 | 112.9 | T305 S306 I311 A312 A358 N359 | T305-M309 HydrophobicContact CG2-CE 3.77Å; T305-M309 HydrophobicContact CG2-SD 4.19Å; T305-M309 WeakPolarHBondContact O-CG 3.46Å; T305-M309 PolarHBondContact O-N 3.05Å; S306-M309 PolarHBondContact O-N 3.2Å; M309-I311 PolarHBondContact O-N 3.11Å; M309-A312 VanDerWaalsContact O-CB 3.23Å; M309-A312 WeakPolarHBondContact O-CB 3.24Å; M309-A312 PolarHBondContact O-N 3.25Å; M309-A312 VanDerWaalsContact O-N 3.08Å; M309-A358 HydrophobicContact CE-CB 4.38Å; M309-A358 HydrophobicContact CG-CB 3.9Å; M309-N359 HydrophobicContact CE-CB 3.77Å |
| 310 | I | 97.7 | Very high | 97.7 | Very high | 86 Ų | 86 | 46.6 Ų | 46.6 | 44% | 0.441 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -29.6 | 176.9 | -72.2 | 166.3 | 0 | 0 | 0 | 111.8 | L282 S306 A307 T308 A312 I313 P314 | L282-I310 HydrophobicContact CD1-CG2 4Å; S306-I310 WeakPolarHBondContact O-CG1 3.3Å; S306-I310 PolarHBondContact O-N 3.29Å; S306-I310 VanDerWaalsContact O-N 3.1Å; A307-I310 PolarHBondContact O-N 2.84Å; T308-I310 VanDerWaalsContact C-N 3.28Å; T308-I310 PolarHBondContact O-N 3.42Å; I310-A312 PolarHBondContact O-N 3.16Å; I310-I313 WeakPolarHBondContact O-CB 3.23Å; I310-I313 PolarHBondContact O-N 2.67Å; I310-P314 VanDerWaalsContact O-CD 3.23Å; I310-P314 WeakPolarHBondContact O-CD 3.36Å |
| 311 | I | 97 | Very high | 97.7 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.3 | 178.3 | -58.6 | -178.1 | 0 | 0 | 0 | 112.3 | Y243 I279 L282 V286 T308 M309 I313 P314 T315 | Y243-I311 HydrophobicContact CE1-CG2 4.35Å; Y243-I311 HydrophobicContact CE2-CD1 4.14Å; Y243-I311 WeakPolarHBondContact OH-CD1 3.36Å; Y243-I311 WeakPolarHBondContact OH-CG2 3.17Å; I279-I311 HydrophobicContact CG1-CG2 4.46Å; L282-I311 HydrophobicContact CB-CD1 3.95Å; L282-I311 HydrophobicContact CB-CG1 3.77Å; L282-I311 HydrophobicContact CD1-CG1 3.92Å; L282-I311 HydrophobicContact CG-CG1 4.45Å; V286-I311 HydrophobicContact CB-CD1 4.2Å; V286-I311 HydrophobicContact CG1-CD1 3.73Å; V286-I311 HydrophobicContact CG1-CG1 4.44Å; V286-I311 HydrophobicContact CG2-CD1 3.61Å; T308-I311 WeakPolarHBondContact O-CB 3.41Å; T308-I311 PolarHBondContact O-N 2.93Å; M309-I311 PolarHBondContact O-N 3.11Å; I311-I313 PolarHBondContact O-N 2.91Å; I311-P314 VanDerWaalsContact O-CD 3.27Å; I311-P314 WeakPolarHBondContact O-CD 3.32Å; I311-P314 WeakPolarHBondContact O-CG 3.36Å; I311-T315 WeakPolarHBondContact O-CB 3.49Å; I311-T315 PolarHBondContact O-N 3.47Å; I311-T315 PolarHBondContact O-OG1 2.97Å |
| 312 | A | 97.2 | Very high | 97.8 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.9 | -26.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M309 I310 G316 I355 | M309-A312 VanDerWaalsContact O-CB 3.23Å; M309-A312 WeakPolarHBondContact O-CB 3.24Å; M309-A312 PolarHBondContact O-N 3.25Å; M309-A312 VanDerWaalsContact O-N 3.08Å; I310-A312 PolarHBondContact O-N 3.16Å; A312-G316 WeakPolarHBondContact O-CA 3.06Å; A312-G316 PolarHBondContact O-N 2.7Å; A312-I355 HydrophobicContact CB-CD1 3.77Å; A312-I355 HydrophobicContact CB-CG1 4.09Å |
| 313 | I | 98.3 | Very high | 97.8 | Very high | 115 Ų | 115 | 43.8 Ų | 43.8 | 59% | 0.59 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.6 | -62.2 | -179.2 | -59.2 | 173.1 | 0 | 0 | 0 | 111.8 | I310 I311 T315 G316 V317 | I310-I313 WeakPolarHBondContact O-CB 3.23Å; I310-I313 PolarHBondContact O-N 2.67Å; I311-I313 PolarHBondContact O-N 2.91Å; I313-T315 PolarHBondContact O-N 3.31Å; I313-G316 PolarHBondContact O-N 3.16Å; I313-G316 VanDerWaalsContact O-N 3.13Å; I313-V317 WeakPolarHBondContact O-CG2 3.44Å; I313-V317 PolarHBondContact O-N 2.99Å |
| 314 | P | 98.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -32.7 | 179 | 25.4 | -34.8 | 0 | 0 | 0 | 112.1 | A275 I279 L282 I310 I311 V317 K318 | A275-P314 HydrophobicContact CB-CB 3.91Å; A275-P314 WeakPolarHBondContact CB-O 3.36Å; I279-P314 HydrophobicContact CD1-CB 4.35Å; I279-P314 HydrophobicContact CG1-CB 3.97Å; I279-P314 HydrophobicContact CG1-CG 3.83Å; L282-P314 HydrophobicContact CD1-CG 4.37Å; I310-P314 VanDerWaalsContact O-CD 3.23Å; I310-P314 WeakPolarHBondContact O-CD 3.36Å; I311-P314 VanDerWaalsContact O-CD 3.27Å; I311-P314 WeakPolarHBondContact O-CD 3.32Å; I311-P314 WeakPolarHBondContact O-CG 3.36Å; P314-V317 PolarHBondContact O-N 2.81Å; P314-K318 PolarHBondContact O-N 3.36Å |
| 315 | T | 97.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 38.9 Ų | 38.9 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 173.7 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | I311 I313 V317 K318 V319 F347 | I311-T315 WeakPolarHBondContact O-CB 3.49Å; I311-T315 PolarHBondContact O-N 3.47Å; I311-T315 PolarHBondContact O-OG1 2.97Å; I313-T315 PolarHBondContact O-N 3.31Å; T315-V317 PolarHBondContact O-N 3Å; T315-K318 PolarHBondContact O-N 3.42Å; T315-V319 PolarHBondContact O-N 3.46Å; T315-V319 VanDerWaalsContact O-N 3.12Å; T315-F347 HydrophobicContact CG2-CE1 3.59Å; T315-F347 HydrophobicContact CG2-CZ 4.11Å |
| 316 | G | 97.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A312 I313 K318 V319 F320 | A312-G316 WeakPolarHBondContact O-CA 3.06Å; A312-G316 PolarHBondContact O-N 2.7Å; I313-G316 PolarHBondContact O-N 3.16Å; I313-G316 VanDerWaalsContact O-N 3.13Å; G316-K318 PolarHBondContact O-N 3.03Å; G316-V319 PolarHBondContact O-N 3.13Å; G316-V319 VanDerWaalsContact O-N 3.14Å; G316-F320 WeakPolarHBondContact O-CD2 3.28Å; G316-F320 PolarHBondContact O-N 3.33Å |
| 317 | V | 98.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53 | -44.7 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | A275 I313 P314 T315 S321 | A275-V317 HydrophobicContact CB-CB 4.4Å; A275-V317 HydrophobicContact CB-CG1 4.29Å; I313-V317 WeakPolarHBondContact O-CG2 3.44Å; I313-V317 PolarHBondContact O-N 2.99Å; P314-V317 PolarHBondContact O-N 2.81Å; T315-V317 PolarHBondContact O-N 3Å; V317-S321 VanDerWaalsContact O-CB 3.32Å; V317-S321 WeakPolarHBondContact O-CB 3.45Å; V317-S321 PolarHBondContact O-N 2.82Å; V317-S321 PolarHBondContact O-OG 2.85Å |
| 318 | K | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 178.6 | -64.3 | 179.4 | 65.6 | 68 | 0 | 112.4 | F250 A275 M276 I279 P314 T315 G316 F320 S321 W322 | F250-K318 VanDerWaalsContact CB-CE 3.42Å; F250-K318 HydrophobicContact CD2-CD 4.03Å; F250-K318 HydrophobicContact CE2-CD 4.4Å; A275-K318 HydrophobicContact CB-CD 4.09Å; A275-K318 HydrophobicContact CB-CG 3.73Å; M276-K318 HydrophobicContact CG-CD 3.92Å; M276-K318 PolarHBondContact SD-NZ 2.9Å; I279-K318 HydrophobicContact CD1-CD 4.08Å; P314-K318 PolarHBondContact O-N 3.36Å; T315-K318 PolarHBondContact O-N 3.42Å; G316-K318 PolarHBondContact O-N 3.03Å; K318-F320 PolarHBondContact O-N 3.16Å; K318-S321 PolarHBondContact O-N 3.46Å; K318-W322 HydrophobicContact CB-CH2 3.89Å; K318-W322 HydrophobicContact CB-CZ2 4.19Å; K318-W322 HydrophobicContact CB-CZ3 4.16Å; K318-W322 VanDerWaalsContact O-CD2 3.28Å; K318-W322 PolarHBondContact O-N 3.45Å |
| 319 | V | 98.2 | Very high | 96.8 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | T315 G316 S321 W322 L323 I344 | T315-V319 PolarHBondContact O-N 3.46Å; T315-V319 VanDerWaalsContact O-N 3.12Å; G316-V319 PolarHBondContact O-N 3.13Å; G316-V319 VanDerWaalsContact O-N 3.14Å; V319-S321 PolarHBondContact O-N 3.08Å; V319-W322 HydrophobicContact CG2-CE3 4.29Å; V319-W322 HydrophobicContact CG2-CZ3 4Å; V319-W322 PolarHBondContact O-N 3.37Å; V319-L323 HydrophobicContact CG1-CD1 4.37Å; V319-L323 WeakPolarHBondContact O-CG 3.45Å; V319-L323 PolarHBondContact O-N 3.3Å; V319-L323 VanDerWaalsContact O-N 3.11Å; V319-I344 HydrophobicContact CG1-CG2 4.26Å |
| 320 | F | 98.3 | Very high | 96.2 | Very high | 145 Ų | 145 | 51.4 Ų | 51.4 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.2 | -36.9 | 177.9 | -68.8 | -59.4 | 0 | 0 | 0 | 112.6 | G316 K318 W322 L323 A324 | G316-F320 WeakPolarHBondContact O-CD2 3.28Å; G316-F320 PolarHBondContact O-N 3.33Å; K318-F320 PolarHBondContact O-N 3.16Å; F320-W322 PolarHBondContact O-N 3.32Å; F320-L323 HydrophobicContact CD1-CD1 4.48Å; F320-L323 PolarHBondContact O-N 3.31Å; F320-A324 VanDerWaalsContact O-CB 3.3Å; F320-A324 WeakPolarHBondContact O-CB 2.99Å; F320-A324 PolarHBondContact O-N 3.26Å |
| 321 | S | 98.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 173.1 | -83.8 | 0 | 0 | 0 | 0 | 112.5 | F267 V317 K318 V319 A324 T325 | F267-S321 VanDerWaalsContact O-CB 3.28Å; F267-S321 WeakPolarHBondContact O-CB 3.48Å; F267-S321 PolarHBondContact O-OG 3.25Å; V317-S321 VanDerWaalsContact O-CB 3.32Å; V317-S321 WeakPolarHBondContact O-CB 3.45Å; V317-S321 PolarHBondContact O-N 2.82Å; V317-S321 PolarHBondContact O-OG 2.85Å; K318-S321 PolarHBondContact O-N 3.46Å; V319-S321 PolarHBondContact O-N 3.08Å; S321-A324 PolarHBondContact O-N 2.94Å; S321-T325 WeakPolarHBondContact O-CB 3.44Å; S321-T325 PolarHBondContact O-N 2.74Å; S321-T325 PolarHBondContact O-OG1 3.35Å |
| 322 | W | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.4 | -66.8 | -46.5 | 0 | 0 | 0 | 111.6 | F250 I253 S254 M272 K318 V319 F320 A324 T325 L326 F343 I344 | F250-W322 HydrophobicContact CB-CH2 4.1Å; F250-W322 HydrophobicContact CB-CZ2 3.89Å; F250-W322 AromaticContact CD1-CH2 3.42Å; F250-W322 HydrophobicContact CD1-CH2 3.42Å; F250-W322 VanDerWaalsContact CD1-CH2 3.42Å; F250-W322 HydrophobicContact CD1-CZ2 4.07Å; F250-W322 HydrophobicContact CD1-CZ3 4.42Å; F250-W322 AromaticContact CE1-CH2 3.97Å; F250-W322 HydrophobicContact CE1-CH2 3.97Å; F250-W322 AromaticContact CG-CH2 3.89Å; F250-W322 HydrophobicContact CG-CH2 3.89Å; F250-W322 HydrophobicContact CG-CZ2 4.21Å; I253-W322 HydrophobicContact CB-CZ2 4.48Å; I253-W322 HydrophobicContact CG2-CD2 4.05Å; I253-W322 HydrophobicContact CG2-CG 4.34Å; I253-W322 HydrophobicContact CG2-CZ2 4.31Å; S254-W322 PolarHBondContact OG-NE1 3.28Å; M272-W322 HydrophobicContact CE-CZ2 4.38Å; M272-W322 VanDerWaalsContact CE-NE1 3.33Å; K318-W322 HydrophobicContact CB-CH2 3.89Å; K318-W322 HydrophobicContact CB-CZ2 4.19Å; K318-W322 HydrophobicContact CB-CZ3 4.16Å; K318-W322 VanDerWaalsContact O-CD2 3.28Å; K318-W322 PolarHBondContact O-N 3.45Å; V319-W322 HydrophobicContact CG2-CE3 4.29Å; V319-W322 HydrophobicContact CG2-CZ3 4Å; V319-W322 PolarHBondContact O-N 3.37Å; F320-W322 PolarHBondContact O-N 3.32Å; W322-A324 VanDerWaalsContact C-N 3.34Å; W322-A324 PolarHBondContact O-N 2.94Å; W322-T325 WeakPolarHBondContact O-CB 3.45Å; W322-T325 PolarHBondContact O-N 2.99Å; W322-T325 VanDerWaalsContact O-N 3.13Å; W322-L326 WeakPolarHBondContact O-CG 3.38Å; W322-L326 PolarHBondContact O-N 3.03Å; W322-F343 HydrophobicContact CH2-CE1 4.01Å; W322-F343 AromaticContact CZ3-CE1 3.92Å; W322-F343 HydrophobicContact CZ3-CE1 3.92Å; W322-I344 HydrophobicContact CB-CD1 3.7Å; W322-I344 HydrophobicContact CB-CG1 4.38Å; W322-I344 HydrophobicContact CD2-CG1 4.42Å; W322-I344 HydrophobicContact CE3-CG1 3.96Å; W322-I344 HydrophobicContact CG-CD1 4.25Å |
| 323 | L | 97.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 59 Ų | 59 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 177.3 | -65.7 | 176.6 | 0 | 0 | 0 | 112.1 | V319 F320 T325 L326 H327 I344 | V319-L323 HydrophobicContact CG1-CD1 4.37Å; V319-L323 WeakPolarHBondContact O-CG 3.45Å; V319-L323 PolarHBondContact O-N 3.3Å; V319-L323 VanDerWaalsContact O-N 3.11Å; F320-L323 HydrophobicContact CD1-CD1 4.48Å; F320-L323 PolarHBondContact O-N 3.31Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 3.01Å; L323-L326 PolarHBondContact O-N 3.3Å; L323-H327 WeakPolarHBondContact O-CB 3.31Å; L323-H327 PolarHBondContact O-N 3.15Å; L323-I344 HydrophobicContact CD2-CG2 4.22Å |
| 324 | A | 97.5 | Very high | 94.7 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -32.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | K263 F267 F320 S321 W322 H327 | K263-A324 PolarHBondContact NZ-O 3.1Å; K263-A324 VanDerWaalsContact NZ-O 3.15Å; F267-A324 HydrophobicContact CB-CB 3.82Å; F267-A324 HydrophobicContact CD1-CB 3.52Å; F267-A324 HydrophobicContact CD2-CB 4.19Å; F267-A324 HydrophobicContact CE1-CB 4.11Å; F267-A324 HydrophobicContact CG-CB 3.56Å; F320-A324 VanDerWaalsContact O-CB 3.3Å; F320-A324 WeakPolarHBondContact O-CB 2.99Å; F320-A324 PolarHBondContact O-N 3.26Å; S321-A324 PolarHBondContact O-N 2.94Å; W322-A324 VanDerWaalsContact C-N 3.34Å; W322-A324 PolarHBondContact O-N 2.94Å; A324-H327 PolarHBondContact O-N 2.88Å |
| 325 | T | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 173.2 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | V257 K263 P266 F267 S321 W322 L323 | V257-T325 HydrophobicContact CG1-CG2 3.74Å; K263-T325 HydrophobicContact CD-CG2 4.06Å; K263-T325 VanDerWaalsContact CD-O 3.28Å; K263-T325 WeakPolarHBondContact CD-O 3.41Å; K263-T325 WeakPolarHBondContact CE-O 3.35Å; K263-T325 PolarHBondContact NZ-O 2.97Å; P266-T325 HydrophobicContact CB-CG2 4.47Å; F267-T325 PolarHBondContact N-OG1 3.24Å; S321-T325 WeakPolarHBondContact O-CB 3.44Å; S321-T325 PolarHBondContact O-N 2.74Å; S321-T325 PolarHBondContact O-OG1 3.35Å; W322-T325 WeakPolarHBondContact O-CB 3.45Å; W322-T325 PolarHBondContact O-N 2.99Å; W322-T325 VanDerWaalsContact O-N 3.13Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 3.01Å |
| 326 | L | 95.4 | Very high | 94.6 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 13% | 0.131 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70 | -34.2 | 175.2 | -65.7 | 166 | 0 | 0 | 0 | 112.5 | V257 W322 L323 G328 S329 M331 L341 I344 | V257-L326 HydrophobicContact CG1-CD2 3.79Å; V257-L326 HydrophobicContact CG1-CG 3.75Å; V257-L326 HydrophobicContact CG2-CD2 4.46Å; W322-L326 WeakPolarHBondContact O-CG 3.38Å; W322-L326 PolarHBondContact O-N 3.03Å; L323-L326 PolarHBondContact O-N 3.3Å; L326-G328 PolarHBondContact O-N 3.46Å; L326-S329 WeakPolarHBondContact O-CB 3.47Å; L326-S329 PolarHBondContact O-N 2.79Å; L326-S329 PolarHBondContact O-OG 3.34Å; L326-M331 HydrophobicContact CD2-CE 3.39Å; L326-M331 HydrophobicContact CD2-SD 3.46Å; L326-M331 WeakPolarHBondContact CD2-SD 3.46Å; L326-L341 HydrophobicContact CD1-CD2 3.6Å; L326-I344 HydrophobicContact CD1-CD1 4.25Å |
| 327 | H | 95.1 | Very high | 94.6 | Very high | 151 Ų | 151 | 51.6 Ų | 51.6 | 70% | 0.699 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 133.2 | -176.3 | -175.9 | -102.6 | 0 | 0 | 0 | 112.7 | K263 L323 A324 S329 | K263-H327 PolarHBondContact NZ-O 3.21Å; L323-H327 WeakPolarHBondContact O-CB 3.31Å; L323-H327 PolarHBondContact O-N 3.15Å; A324-H327 PolarHBondContact O-N 2.88Å; H327-S329 PolarHBondContact O-N 3.07Å |
| 328 | G | 90.6 | Very high | 94.6 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 80% | 0.804 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 13.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L326 | L326-G328 PolarHBondContact O-N 3.46Š|
| 329 | S | 89.6 | Confident | 94.6 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | trans | -94.2 | 150.7 | 178.1 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | S261 L326 H327 M331 | S261-S329 WeakPolarHBondContact O-CB 3.38Å; S261-S329 PolarHBondContact OG-OG 3.47Å; L326-S329 WeakPolarHBondContact O-CB 3.47Å; L326-S329 PolarHBondContact O-N 2.79Å; L326-S329 PolarHBondContact O-OG 3.34Å; H327-S329 PolarHBondContact O-N 3.07Å; S329-M331 PolarHBondContact O-N 2.8Å; S329-M331 VanDerWaalsContact OG-CG 3.31Å; S329-M331 WeakPolarHBondContact OG-CG 3.37Å; S329-M331 PolarHBondContact OG-SD 3.03Å; S329-M331 VanDerWaalsContact OG-SD 3.34Å | ||
| 330 | N | 85.4 | Confident | 94.6 | Very high | 156 Ų | 156 | 50 Ų | 50 | 83% | 0.834 | 26% | 0.264 | S | S | * | . | trans | -86 | 83.3 | 169.2 | -172.8 | 13 | 0 | 0 | 0 | 109.3 | ||||
| 331 | M | 86.8 | Confident | 94.6 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 14% | 0.138 | 25% | 0.248 | C | C | . | . | trans | -66.5 | 130.7 | -171.6 | -74.5 | -70 | -66.9 | 0 | 0 | 113.4 | S261 L326 S329 V337 | S261-M331 PolarHBondContact OG-SD 3.33Å; L326-M331 HydrophobicContact CD2-CE 3.39Å; L326-M331 HydrophobicContact CD2-SD 3.46Å; L326-M331 WeakPolarHBondContact CD2-SD 3.46Å; S329-M331 PolarHBondContact O-N 2.8Å; S329-M331 VanDerWaalsContact OG-CG 3.31Å; S329-M331 WeakPolarHBondContact OG-CG 3.37Å; S329-M331 PolarHBondContact OG-SD 3.03Å; S329-M331 VanDerWaalsContact OG-SD 3.34Å; M331-V337 HydrophobicContact CE-CB 4.26Å; M331-V337 HydrophobicContact CE-CG1 3.3Å; M331-V337 HydrophobicContact CE-CG2 3.87Å | ||
| 332 | K | 85.8 | Confident | 94.5 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 46% | 0.457 | 25% | 0.247 | S | C | . | . | trans | -85.9 | 109.9 | 165 | -68.1 | -177.6 | -172.9 | 179.1 | 0 | 110.1 | Y260 S334 V337 E485 | Y260-K332 HydrophobicContact CD1-CB 4.1Å; Y260-K332 PolarHBondContact O-N 2.61Å; K332-S334 VanDerWaalsContact C-N 3.27Å; K332-S334 PolarHBondContact O-N 3.28Å; K332-V337 WeakPolarHBondContact O-CG2 3.34Å; K332-E485 WeakPolarHBondContact CD-OE2 3.34Å; K332-E485 IonicContact NZ-OE1 3.72Å; K332-E485 PolarHBondContact NZ-OE1 3.12Å; K332-E485 IonicContact NZ-OE2 3.94Å; K332-E485 PolarHBondContact NZ-OE2 3Å | ||
| 333 | W | 91.6 | Very high | 94.6 | Very high | 156 Ų | 156 | 45.5 Ų | 45.5 | 59% | 0.591 | 25% | 0.246 | S | C | * | . | trans | -76.2 | 71 | -177.6 | -67 | 100.9 | 0 | 0 | 0 | 113.4 | V337 L338 L341 K410 | W333-V337 HydrophobicContact CE3-CG1 4.17Å; W333-V337 HydrophobicContact CZ3-CG1 4.24Å; W333-L338 HydrophobicContact CE3-CD2 4.21Å; W333-L338 HydrophobicContact CZ3-CD2 4.4Å; W333-L341 HydrophobicContact CH2-CD1 4.02Å; W333-L341 HydrophobicContact CZ3-CD1 3.52Å; W333-K410 WeakPolarHBondContact O-CE 3.33Å; W333-K410 PolarHBondContact O-NZ 3.13Å | ||
| 334 | S | 94.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -83.9 | 164.6 | 170.6 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | Y260 K332 A336 V337 L338 | Y260-S334 WeakPolarHBondContact CD1-OG 3.39Å; Y260-S334 VanDerWaalsContact CE1-CB 3.43Å; Y260-S334 WeakPolarHBondContact CE1-OG 3.38Å; K332-S334 VanDerWaalsContact C-N 3.27Å; K332-S334 PolarHBondContact O-N 3.28Å; S334-A336 VanDerWaalsContact C-N 3.27Å; S334-A336 PolarHBondContact O-N 2.92Å; S334-A336 PolarHBondContact OG-N 3.5Å; S334-V337 PolarHBondContact O-N 2.93Å; S334-V337 PolarHBondContact OG-N 2.92Å; S334-L338 PolarHBondContact O-N 3.2Å | ||
| 335 | A | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -37 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V337 L338 W339 I393 A409 K410 | A335-V337 VanDerWaalsContact C-N 3.29Å; A335-V337 PolarHBondContact O-N 2.79Å; A335-L338 WeakPolarHBondContact O-CB 3.48Å; A335-L338 PolarHBondContact O-N 2.64Å; A335-W339 PolarHBondContact O-N 2.84Å; A335-W339 VanDerWaalsContact O-N 3.08Å; A335-I393 HydrophobicContact CB-CD1 4.41Å; A335-I393 HydrophobicContact CB-CG2 4.2Å; A335-A409 HydrophobicContact CB-CB 3.46Å; A335-A409 VanDerWaalsContact CB-CB 3.46Å; A335-K410 HydrophobicContact CB-CG 4.18Å |
| 336 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -37.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I256 Y260 S334 W339 A340 I393 H394 | I256-A336 HydrophobicContact CG2-CB 4.08Å; Y260-A336 HydrophobicContact CD2-CB 4.46Å; Y260-A336 HydrophobicContact CE2-CB 3.61Å; S334-A336 VanDerWaalsContact C-N 3.27Å; S334-A336 PolarHBondContact O-N 2.92Å; S334-A336 PolarHBondContact OG-N 3.5Å; A336-W339 PolarHBondContact O-N 2.77Å; A336-A340 PolarHBondContact O-N 3.42Å; A336-I393 HydrophobicContact CB-CG2 4.14Å; A336-H394 HydrophobicContact CB-CB 4.22Å |
| 337 | V | 96.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 173.2 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | Y260 M331 K332 W333 S334 A335 W339 A340 L341 | Y260-V337 HydrophobicContact CD1-CG2 4.03Å; Y260-V337 HydrophobicContact CD2-CG2 3.7Å; Y260-V337 HydrophobicContact CG-CG2 3.39Å; M331-V337 HydrophobicContact CE-CB 4.26Å; M331-V337 HydrophobicContact CE-CG1 3.3Å; M331-V337 HydrophobicContact CE-CG2 3.87Å; K332-V337 WeakPolarHBondContact O-CG2 3.34Å; W333-V337 HydrophobicContact CE3-CG1 4.17Å; W333-V337 HydrophobicContact CZ3-CG1 4.24Å; S334-V337 PolarHBondContact O-N 2.93Å; S334-V337 PolarHBondContact OG-N 2.92Å; A335-V337 VanDerWaalsContact C-N 3.29Å; A335-V337 PolarHBondContact O-N 2.79Å; V337-W339 VanDerWaalsContact C-N 3.32Å; V337-W339 PolarHBondContact O-N 3.21Å; V337-A340 PolarHBondContact O-N 3.38Å; V337-A340 VanDerWaalsContact O-N 3.16Å; V337-L341 HydrophobicContact CG1-CD1 3.88Å; V337-L341 HydrophobicContact CG1-CG 4.22Å; V337-L341 WeakPolarHBondContact O-CG 3.41Å; V337-L341 PolarHBondContact O-N 3.17Å |
| 338 | L | 98.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 41 Ų | 41 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 177.5 | -61.5 | -178.3 | 0 | 0 | 0 | 111.3 | W333 S334 A335 A340 L341 G342 K410 F413 | W333-L338 HydrophobicContact CE3-CD2 4.21Å; W333-L338 HydrophobicContact CZ3-CD2 4.4Å; S334-L338 PolarHBondContact O-N 3.2Å; A335-L338 WeakPolarHBondContact O-CB 3.48Å; A335-L338 PolarHBondContact O-N 2.64Å; L338-A340 VanDerWaalsContact C-N 3.33Å; L338-A340 PolarHBondContact O-N 3.05Å; L338-L341 PolarHBondContact O-N 3.5Å; L338-G342 PolarHBondContact O-N 3.29Å; L338-K410 HydrophobicContact CD1-CB 4.34Å; L338-K410 HydrophobicContact CD1-CG 3.84Å; L338-F413 VanDerWaalsContact C-CE2 3.49Å; L338-F413 HydrophobicContact CB-CD1 3.65Å; L338-F413 HydrophobicContact CB-CD2 4.1Å; L338-F413 HydrophobicContact CB-CE1 3.76Å; L338-F413 HydrophobicContact CB-CE2 4.19Å; L338-F413 HydrophobicContact CB-CG 3.81Å; L338-F413 HydrophobicContact CB-CZ 4.03Å; L338-F413 HydrophobicContact CD1-CD1 3.86Å; L338-F413 HydrophobicContact CD1-CE1 4.36Å; L338-F413 HydrophobicContact CD1-CG 4.46Å; L338-F413 HydrophobicContact CG-CD1 4.34Å; L338-F413 WeakPolarHBondContact O-CE2 3.35Å; L338-F413 WeakPolarHBondContact O-CZ 3.2Å |
| 339 | W | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 172.7 | -73.4 | 101.8 | 0 | 0 | 0 | 112.4 | A335 A336 V337 G342 F343 F386 M389 I393 H412 F413 M416 | A335-W339 PolarHBondContact O-N 2.84Å; A335-W339 VanDerWaalsContact O-N 3.08Å; A336-W339 PolarHBondContact O-N 2.77Å; V337-W339 VanDerWaalsContact C-N 3.32Å; V337-W339 PolarHBondContact O-N 3.21Å; W339-G342 PolarHBondContact O-N 3.08Å; W339-F343 VanDerWaalsContact O-CB 3.31Å; W339-F343 WeakPolarHBondContact O-CB 3.32Å; W339-F343 PolarHBondContact O-N 2.95Å; W339-F386 HydrophobicContact CE3-CB 4.09Å; W339-F386 AromaticContact CE3-CD1 3.57Å; W339-F386 HydrophobicContact CE3-CD1 3.57Å; W339-F386 HydrophobicContact CE3-CD2 4.21Å; W339-F386 AromaticContact CE3-CE1 3.93Å; W339-F386 HydrophobicContact CE3-CE1 3.93Å; W339-F386 AromaticContact CE3-CG 3.71Å; W339-F386 HydrophobicContact CE3-CG 3.71Å; W339-F386 HydrophobicContact CE3-CZ 4.4Å; W339-F386 AromaticContact CZ3-CD1 3.87Å; W339-F386 HydrophobicContact CZ3-CD1 3.87Å; W339-F386 AromaticContact CZ3-CD2 3.82Å; W339-F386 HydrophobicContact CZ3-CD2 3.82Å; W339-F386 AromaticContact CZ3-CE1 3.9Å; W339-F386 HydrophobicContact CZ3-CE1 3.9Å; W339-F386 AromaticContact CZ3-CE2 3.86Å; W339-F386 HydrophobicContact CZ3-CE2 3.86Å; W339-F386 AromaticContact CZ3-CG 3.82Å; W339-F386 HydrophobicContact CZ3-CG 3.82Å; W339-F386 AromaticContact CZ3-CZ 3.9Å; W339-F386 HydrophobicContact CZ3-CZ 3.9Å; W339-M389 HydrophobicContact CD2-CB 3.68Å; W339-M389 HydrophobicContact CE3-CB 3.64Å; W339-M389 HydrophobicContact CE3-CG 4.36Å; W339-M389 HydrophobicContact CG-CB 4.36Å; W339-M389 HydrophobicContact CH2-CB 3.92Å; W339-M389 HydrophobicContact CH2-CG 3.95Å; W339-M389 HydrophobicContact CZ2-CB 3.99Å; W339-M389 HydrophobicContact CZ2-CG 4.35Å; W339-M389 HydrophobicContact CZ3-CB 3.75Å; W339-M389 HydrophobicContact CZ3-CG 3.97Å; W339-I393 VanDerWaalsContact CD1-CD1 3.4Å; W339-I393 HydrophobicContact CG-CD1 4.49Å; W339-H412 AromaticContact CH2-CE1 3.88Å; W339-H412 AromaticContact CZ2-CE1 3.44Å; W339-H412 VanDerWaalsContact CZ2-CE1 3.44Å; W339-H412 WeakPolarHBondContact CZ2-CE1 3.49Å; W339-H412 AromaticContact CZ2-ND1 3.42Å; W339-H412 WeakPolarHBondContact CZ2-ND1 3.05Å; W339-F413 HydrophobicContact CD2-CB 4.5Å; W339-F413 AromaticContact CD2-CD2 3.69Å; W339-F413 HydrophobicContact CD2-CD2 3.69Å; W339-F413 AromaticContact CE2-CD2 3.83Å; W339-F413 AromaticContact CE3-CD2 3.99Å; W339-F413 HydrophobicContact CE3-CD2 3.99Å; W339-F413 AromaticContact CG-CD2 3.99Å; W339-F413 HydrophobicContact CG-CD2 3.99Å; W339-F413 HydrophobicContact CZ2-CB 3.97Å; W339-F413 HydrophobicContact CZ2-CD2 4.26Å; W339-F413 HydrophobicContact CZ3-CD2 4.43Å; W339-M416 HydrophobicContact CH2-CB 3.67Å; W339-M416 HydrophobicContact CH2-CG 3.73Å; W339-M416 HydrophobicContact CZ2-CB 4.46Å; W339-M416 HydrophobicContact CZ3-CB 4.43Å; W339-M416 HydrophobicContact CZ3-CG 4.14Å |
| 340 | A | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I253 I256 V257 A336 V337 L338 F343 I344 | I253-A340 HydrophobicContact CD1-CB 4.01Å; I253-A340 HydrophobicContact CG2-CB 4.46Å; I256-A340 HydrophobicContact CG2-CB 3.9Å; V257-A340 HydrophobicContact CG2-CB 4.15Å; A336-A340 PolarHBondContact O-N 3.42Å; V337-A340 PolarHBondContact O-N 3.38Å; V337-A340 VanDerWaalsContact O-N 3.16Å; L338-A340 VanDerWaalsContact C-N 3.33Å; L338-A340 PolarHBondContact O-N 3.05Å; A340-F343 WeakPolarHBondContact O-CB 3.41Å; A340-F343 PolarHBondContact O-N 3.14Å; A340-I344 VanDerWaalsContact O-CG1 3.24Å; A340-I344 WeakPolarHBondContact O-CG1 3.33Å; A340-I344 PolarHBondContact O-N 3.48Å |
| 341 | L | 98 | Very high | 96.2 | Very high | 56 Ų | 56 | 31.4 Ų | 31.4 | 29% | 0.293 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -69 | -41.5 | 175 | -69.1 | 173.4 | 0 | 0 | 0 | 111.8 | L326 W333 V337 L338 F343 I344 F345 | L326-L341 HydrophobicContact CD1-CD2 3.6Å; W333-L341 HydrophobicContact CH2-CD1 4.02Å; W333-L341 HydrophobicContact CZ3-CD1 3.52Å; V337-L341 HydrophobicContact CG1-CD1 3.88Å; V337-L341 HydrophobicContact CG1-CG 4.22Å; V337-L341 WeakPolarHBondContact O-CG 3.41Å; V337-L341 PolarHBondContact O-N 3.17Å; L338-L341 PolarHBondContact O-N 3.5Å; L341-F343 VanDerWaalsContact C-N 3.32Å; L341-F343 PolarHBondContact O-N 3.35Å; L341-I344 PolarHBondContact O-N 2.9Å; L341-F345 WeakPolarHBondContact O-CB 3.37Å; L341-F345 PolarHBondContact O-N 3.41Å |
| 342 | G | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L338 W339 L346 | L338-G342 PolarHBondContact O-N 3.29Å; W339-G342 PolarHBondContact O-N 3.08Å; G342-L346 WeakPolarHBondContact O-CB 3.37Å; G342-L346 VanDerWaalsContact O-CG 3.23Å; G342-L346 WeakPolarHBondContact O-CG 3.33Å; G342-L346 PolarHBondContact O-N 3.32Å |
| 343 | F | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -56.6 | 171.5 | 172 | -87.2 | 0 | 0 | 0 | 111.1 | I246 F250 I253 W322 W339 A340 L341 F345 L346 F347 G383 F386 A387 | I246-F343 HydrophobicContact CD1-CE2 3.9Å; I246-F343 HydrophobicContact CD1-CZ 4.24Å; F250-F343 HydrophobicContact CD1-CE1 4.17Å; F250-F343 AromaticContact CD1-CZ 3.64Å; F250-F343 HydrophobicContact CD1-CZ 3.64Å; F250-F343 HydrophobicContact CE1-CE1 4.37Å; F250-F343 AromaticContact CE1-CZ 3.75Å; F250-F343 HydrophobicContact CE1-CZ 3.75Å; I253-F343 HydrophobicContact CB-CD1 4.25Å; I253-F343 HydrophobicContact CB-CE1 4.33Å; I253-F343 HydrophobicContact CD1-CB 3.97Å; I253-F343 HydrophobicContact CD1-CD1 4.12Å; I253-F343 HydrophobicContact CD1-CD2 4.4Å; I253-F343 HydrophobicContact CD1-CG 3.9Å; I253-F343 HydrophobicContact CG1-CB 4.34Å; I253-F343 HydrophobicContact CG1-CD1 3.55Å; I253-F343 HydrophobicContact CG1-CD2 4.12Å; I253-F343 HydrophobicContact CG1-CE1 3.82Å; I253-F343 HydrophobicContact CG1-CE2 4.32Å; I253-F343 HydrophobicContact CG1-CG 3.73Å; I253-F343 HydrophobicContact CG1-CZ 4.2Å; I253-F343 HydrophobicContact CG2-CD1 3.95Å; I253-F343 HydrophobicContact CG2-CE1 4.25Å; W322-F343 HydrophobicContact CH2-CE1 4.01Å; W322-F343 AromaticContact CZ3-CE1 3.92Å; W322-F343 HydrophobicContact CZ3-CE1 3.92Å; W339-F343 VanDerWaalsContact O-CB 3.31Å; W339-F343 WeakPolarHBondContact O-CB 3.32Å; W339-F343 PolarHBondContact O-N 2.95Å; A340-F343 WeakPolarHBondContact O-CB 3.41Å; A340-F343 PolarHBondContact O-N 3.14Å; L341-F343 VanDerWaalsContact C-N 3.32Å; L341-F343 PolarHBondContact O-N 3.35Å; F343-F345 VanDerWaalsContact C-N 3.27Å; F343-F345 PolarHBondContact O-N 2.89Å; F343-L346 PolarHBondContact O-N 3.27Å; F343-F347 HydrophobicContact CE1-CB 4.35Å; F343-F347 HydrophobicContact CE1-CG 4.43Å; F343-F347 HydrophobicContact CE2-CB 4.48Å; F343-F347 HydrophobicContact CE2-CD2 4.49Å; F343-F347 HydrophobicContact CZ-CB 4.3Å; F343-F347 HydrophobicContact CZ-CD2 4.33Å; F343-F347 HydrophobicContact CZ-CG 4.11Å; F343-F347 WeakPolarHBondContact O-CA 3.31Å; F343-F347 WeakPolarHBondContact O-CB 3.42Å; F343-F347 PolarHBondContact O-N 3.48Å; F343-G383 WeakPolarHBondContact CD2-O 3.47Å; F343-G383 VanDerWaalsContact CE2-CA 3.48Å; F343-G383 VanDerWaalsContact CE2-O 3.27Å; F343-G383 WeakPolarHBondContact CE2-O 3.17Å; F343-F386 HydrophobicContact CB-CB 4.17Å; F343-F386 HydrophobicContact CD2-CB 4.44Å; F343-A387 HydrophobicContact CD2-CB 4.17Å; F343-A387 HydrophobicContact CE2-CB 4.22Å |
| 344 | I | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 5% | 0.046 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.3 | -44.3 | -175.7 | -68.7 | 164.8 | 0 | 0 | 0 | 110.4 | I253 V257 V319 W322 L323 L326 A340 L341 T348 | I253-I344 HydrophobicContact CG2-CD1 4.48Å; I253-I344 HydrophobicContact CG2-CG1 4.33Å; V257-I344 HydrophobicContact CG2-CD1 4.28Å; V319-I344 HydrophobicContact CG1-CG2 4.26Å; W322-I344 HydrophobicContact CB-CD1 3.7Å; W322-I344 HydrophobicContact CB-CG1 4.38Å; W322-I344 HydrophobicContact CD2-CG1 4.42Å; W322-I344 HydrophobicContact CE3-CG1 3.96Å; W322-I344 HydrophobicContact CG-CD1 4.25Å; L323-I344 HydrophobicContact CD2-CG2 4.22Å; L326-I344 HydrophobicContact CD1-CD1 4.25Å; A340-I344 VanDerWaalsContact O-CG1 3.24Å; A340-I344 WeakPolarHBondContact O-CG1 3.33Å; A340-I344 PolarHBondContact O-N 3.48Å; L341-I344 PolarHBondContact O-N 2.9Å; I344-T348 WeakPolarHBondContact O-CB 3.43Å; I344-T348 PolarHBondContact O-N 3.32Å; I344-T348 PolarHBondContact O-OG1 2.83Å |
| 345 | F | 98.2 | Very high | 97.7 | Very high | 116 Ų | 116 | 26.9 Ų | 26.9 | 51% | 0.509 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65 | -57.6 | 179 | 176.3 | -110.4 | 0 | 0 | 0 | 112.4 | L341 F343 F347 T348 V349 F417 | L341-F345 WeakPolarHBondContact O-CB 3.37Å; L341-F345 PolarHBondContact O-N 3.41Å; F343-F345 VanDerWaalsContact C-N 3.27Å; F343-F345 PolarHBondContact O-N 2.89Å; F345-F347 PolarHBondContact O-N 3.24Å; F345-T348 WeakPolarHBondContact O-CB 3.19Å; F345-T348 PolarHBondContact O-N 3.41Å; F345-T348 VanDerWaalsContact O-N 3.17Å; F345-V349 HydrophobicContact CE1-CG2 4.42Å; F345-V349 HydrophobicContact CE2-CG2 4.23Å; F345-V349 HydrophobicContact CZ-CG2 4.11Å; F345-V349 PolarHBondContact O-N 3.21Å; F345-F417 HydrophobicContact CD1-CE2 4.33Å; F345-F417 HydrophobicContact CD1-CZ 4.14Å; F345-F417 HydrophobicContact CE1-CZ 4.33Å |
| 346 | L | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.6 | -36.7 | -172.3 | -61.7 | 167.5 | 0 | 0 | 0 | 111.7 | G342 F343 T348 V349 G350 Y378 M382 F386 F417 N421 | G342-L346 WeakPolarHBondContact O-CB 3.37Å; G342-L346 VanDerWaalsContact O-CG 3.23Å; G342-L346 WeakPolarHBondContact O-CG 3.33Å; G342-L346 PolarHBondContact O-N 3.32Å; F343-L346 PolarHBondContact O-N 3.27Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 2.66Å; L346-V349 PolarHBondContact O-N 3.45Å; L346-G350 PolarHBondContact O-N 2.84Å; L346-Y378 HydrophobicContact CB-CD1 4.29Å; L346-Y378 HydrophobicContact CB-CE1 4.46Å; L346-Y378 HydrophobicContact CD2-CD1 4.42Å; L346-Y378 HydrophobicContact CD2-CE1 3.76Å; L346-Y378 WeakPolarHBondContact O-CD1 3.28Å; L346-M382 HydrophobicContact CB-CB 3.7Å; L346-M382 HydrophobicContact CB-CG 4.28Å; L346-M382 HydrophobicContact CB-SD 3.96Å; L346-M382 HydrophobicContact CD1-CB 4Å; L346-M382 HydrophobicContact CD1-CG 3.84Å; L346-M382 HydrophobicContact CD1-SD 3.61Å; L346-M382 HydrophobicContact CD2-SD 3.87Å; L346-M382 HydrophobicContact CG-CB 4.44Å; L346-M382 HydrophobicContact CG-SD 4Å; L346-F386 HydrophobicContact CD1-CD1 4.34Å; L346-F386 HydrophobicContact CD1-CE1 3.67Å; L346-F386 HydrophobicContact CD1-CZ 3.78Å; L346-F417 HydrophobicContact CD1-CD2 3.74Å; L346-F417 HydrophobicContact CD1-CE2 3.57Å; L346-F417 HydrophobicContact CD2-CE2 4.09Å; L346-F417 HydrophobicContact CD2-CZ 4.41Å; L346-F417 HydrophobicContact CG-CE2 3.91Å; L346-N421 WeakPolarHBondContact CD2-ND2 3.27Å; L346-N421 VanDerWaalsContact CD2-OD1 3.24Å; L346-N421 WeakPolarHBondContact CD2-OD1 3.46Å |
| 347 | F | 97.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 172.9 | -175.5 | -98.6 | 0 | 0 | 0 | 111.6 | I246 F250 T315 F343 F345 G350 G351 V379 | I246-F347 HydrophobicContact CD1-CD2 4.18Å; I246-F347 HydrophobicContact CD1-CE2 4Å; I246-F347 HydrophobicContact CG1-CD2 4.37Å; I246-F347 HydrophobicContact CG1-CE2 3.71Å; I246-F347 HydrophobicContact CG1-CZ 4.27Å; F250-F347 HydrophobicContact CE1-CD1 4.24Å; F250-F347 AromaticContact CE1-CE1 3.68Å; F250-F347 HydrophobicContact CE1-CE1 3.68Å; F250-F347 HydrophobicContact CE1-CE2 4.1Å; F250-F347 AromaticContact CE1-CZ 3.62Å; F250-F347 HydrophobicContact CE1-CZ 3.62Å; F250-F347 AromaticContact CZ-CE1 3.76Å; F250-F347 HydrophobicContact CZ-CE1 3.76Å; F250-F347 HydrophobicContact CZ-CE2 4.22Å; F250-F347 AromaticContact CZ-CZ 3.47Å; F250-F347 HydrophobicContact CZ-CZ 3.47Å; F250-F347 VanDerWaalsContact CZ-CZ 3.47Å; T315-F347 HydrophobicContact CG2-CE1 3.59Å; T315-F347 HydrophobicContact CG2-CZ 4.11Å; F343-F347 HydrophobicContact CE1-CB 4.35Å; F343-F347 HydrophobicContact CE1-CG 4.43Å; F343-F347 HydrophobicContact CE2-CB 4.48Å; F343-F347 HydrophobicContact CE2-CD2 4.49Å; F343-F347 HydrophobicContact CZ-CB 4.3Å; F343-F347 HydrophobicContact CZ-CD2 4.33Å; F343-F347 HydrophobicContact CZ-CG 4.11Å; F343-F347 WeakPolarHBondContact O-CA 3.31Å; F343-F347 WeakPolarHBondContact O-CB 3.42Å; F343-F347 PolarHBondContact O-N 3.48Å; F345-F347 PolarHBondContact O-N 3.24Å; F347-G350 PolarHBondContact O-N 2.75Å; F347-G351 PolarHBondContact O-N 2.96Å; F347-V379 HydrophobicContact CD2-CB 4.35Å; F347-V379 HydrophobicContact CD2-CG1 4.39Å; F347-V379 HydrophobicContact CE2-CB 4.1Å; F347-V379 HydrophobicContact CE2-CG1 4.2Å |
| 348 | T | 97.9 | Very high | 97.8 | Very high | 51 Ų | 51 | 30 Ų | 30 | 31% | 0.313 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | I344 F345 L346 G350 G351 L352 | I344-T348 WeakPolarHBondContact O-CB 3.43Å; I344-T348 PolarHBondContact O-N 3.32Å; I344-T348 PolarHBondContact O-OG1 2.83Å; F345-T348 WeakPolarHBondContact O-CB 3.19Å; F345-T348 PolarHBondContact O-N 3.41Å; F345-T348 VanDerWaalsContact O-N 3.17Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 2.66Å; T348-G350 VanDerWaalsContact C-N 3.35Å; T348-G350 PolarHBondContact O-N 3.28Å; T348-G351 PolarHBondContact O-N 3.27Å; T348-L352 WeakPolarHBondContact O-CG 3.25Å; T348-L352 PolarHBondContact O-N 2.88Å |
| 349 | V | 97.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 30.5 Ų | 30.5 | 22% | 0.218 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | F345 L346 L352 T353 Y378 | F345-V349 HydrophobicContact CE1-CG2 4.42Å; F345-V349 HydrophobicContact CE2-CG2 4.23Å; F345-V349 HydrophobicContact CZ-CG2 4.11Å; F345-V349 PolarHBondContact O-N 3.21Å; L346-V349 PolarHBondContact O-N 3.45Å; V349-L352 PolarHBondContact O-N 3.5Å; V349-T353 PolarHBondContact O-N 3.11Å; V349-Y378 HydrophobicContact CB-CD1 4.14Å; V349-Y378 HydrophobicContact CB-CE1 4.26Å; V349-Y378 HydrophobicContact CG1-CD1 3.98Å; V349-Y378 HydrophobicContact CG1-CE1 3.89Å |
| 350 | G | 97.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L346 F347 T348 L352 T353 G354 H375 | L346-G350 PolarHBondContact O-N 2.84Å; F347-G350 PolarHBondContact O-N 2.75Å; T348-G350 VanDerWaalsContact C-N 3.35Å; T348-G350 PolarHBondContact O-N 3.28Å; G350-L352 VanDerWaalsContact C-N 3.34Å; G350-L352 PolarHBondContact O-N 3.48Å; G350-T353 PolarHBondContact O-N 3.14Å; G350-T353 PolarHBondContact O-OG1 3.4Å; G350-G354 PolarHBondContact O-N 3.12Å; G350-H375 PolarHBondContact O-CE1 3.5Å; G350-H375 PolarHBondContact O-ND1 3.22Å |
| 351 | G | 96.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 27% | 0.268 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F347 T348 G354 I355 | F347-G351 PolarHBondContact O-N 2.96Å; T348-G351 PolarHBondContact O-N 3.27Å; G351-G354 WeakPolarHBondContact O-CA 3.27Å; G351-G354 PolarHBondContact O-N 3.03Å; G351-G354 VanDerWaalsContact O-N 3.15Å; G351-I355 WeakPolarHBondContact O-CG1 3.26Å; G351-I355 PolarHBondContact O-N 3.04Å |
| 352 | L | 97.6 | Very high | 97.6 | Very high | 107 Ų | 107 | 36 Ų | 36 | 56% | 0.56 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -63.8 | -41.8 | 177.2 | -69.1 | 175 | 0 | 0 | 0 | 112.1 | T348 V349 G350 G354 I355 V356 | T348-L352 WeakPolarHBondContact O-CG 3.25Å; T348-L352 PolarHBondContact O-N 2.88Å; V349-L352 PolarHBondContact O-N 3.5Å; G350-L352 VanDerWaalsContact C-N 3.34Å; G350-L352 PolarHBondContact O-N 3.48Å; L352-G354 VanDerWaalsContact C-N 3.25Å; L352-G354 PolarHBondContact O-N 3.09Å; L352-I355 HydrophobicContact CD2-CD1 4.38Å; L352-I355 PolarHBondContact O-N 2.88Å; L352-V356 PolarHBondContact O-N 3.29Å |
| 353 | T | 98.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 36.2 Ų | 36.2 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.1 | -28.5 | 174.9 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | V349 G350 V356 L357 H375 | V349-T353 PolarHBondContact O-N 3.11Å; G350-T353 PolarHBondContact O-N 3.14Å; G350-T353 PolarHBondContact O-OG1 3.4Å; T353-V356 WeakPolarHBondContact O-CB 3.39Å; T353-V356 PolarHBondContact O-N 2.87Å; T353-L357 PolarHBondContact O-N 2.73Å; T353-L357 VanDerWaalsContact O-N 3.15Å; T353-H375 PolarHBondContact OG1-ND1 3Å |
| 354 | G | 97.3 | Very high | 97.4 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -36.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G350 G351 L352 V356 L357 A358 H375 | G350-G354 PolarHBondContact O-N 3.12Å; G351-G354 WeakPolarHBondContact O-CA 3.27Å; G351-G354 PolarHBondContact O-N 3.03Å; G351-G354 VanDerWaalsContact O-N 3.15Å; L352-G354 VanDerWaalsContact C-N 3.25Å; L352-G354 PolarHBondContact O-N 3.09Å; G354-V356 VanDerWaalsContact C-N 3.25Å; G354-V356 PolarHBondContact O-N 2.95Å; G354-L357 CarbonylContact O-C 3.57Å; G354-L357 PolarHBondContact O-N 3.4Å; G354-A358 WeakPolarHBondContact O-CB 3.23Å; G354-A358 PolarHBondContact O-N 2.83Å; G354-H375 WeakPolarHBondContact CA-CE1 3.3Å; G354-H375 VanDerWaalsContact CA-ND1 3.33Å; G354-H375 WeakPolarHBondContact CA-ND1 3.43Å; G354-H375 PolarHBondContact N-CE1 3.12Å; G354-H375 PolarHBondContact N-ND1 3.4Å; G354-H375 VanDerWaalsContact N-ND1 3.12Å |
| 355 | I | 97.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 173.8 | -65.5 | 168.7 | 0 | 0 | 0 | 110.8 | A312 G351 L352 A358 | A312-I355 HydrophobicContact CB-CD1 3.77Å; A312-I355 HydrophobicContact CB-CG1 4.09Å; G351-I355 WeakPolarHBondContact O-CG1 3.26Å; G351-I355 PolarHBondContact O-N 3.04Å; L352-I355 HydrophobicContact CD2-CD1 4.38Å; L352-I355 PolarHBondContact O-N 2.88Å; I355-A358 PolarHBondContact O-N 3.14Å |
| 356 | V | 98.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 30% | 0.303 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | L352 T353 G354 A358 N359 L362 L366 Y371 | L352-V356 PolarHBondContact O-N 3.29Å; T353-V356 WeakPolarHBondContact O-CB 3.39Å; T353-V356 PolarHBondContact O-N 2.87Å; G354-V356 VanDerWaalsContact C-N 3.25Å; G354-V356 PolarHBondContact O-N 2.95Å; V356-A358 VanDerWaalsContact C-N 3.3Å; V356-A358 PolarHBondContact O-N 3.35Å; V356-N359 WeakPolarHBondContact O-CB 3.23Å; V356-N359 PolarHBondContact O-N 3.17Å; V356-L362 HydrophobicContact CG1-CD1 3.82Å; V356-L366 HydrophobicContact CG1-CD1 3.88Å; V356-Y371 HydrophobicContact CB-CE1 4.45Å; V356-Y371 HydrophobicContact CG1-CE1 4.39Å |
| 357 | L | 98.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69 | -25.1 | 178.2 | -70.7 | 173 | 0 | 0 | 0 | 113.8 | T353 G354 N359 L366 Y371 V372 H375 | T353-L357 PolarHBondContact O-N 2.73Å; T353-L357 VanDerWaalsContact O-N 3.15Å; G354-L357 CarbonylContact O-C 3.57Å; G354-L357 PolarHBondContact O-N 3.4Å; L357-N359 PolarHBondContact O-N 3.09Å; L357-L366 HydrophobicContact CD2-CB 3.72Å; L357-L366 HydrophobicContact CD2-CD1 3.98Å; L357-Y371 HydrophobicContact CD1-CD1 4.04Å; L357-Y371 HydrophobicContact CD1-CE1 4.3Å; L357-Y371 HydrophobicContact CD2-CD1 3.77Å; L357-Y371 HydrophobicContact CD2-CE1 4.19Å; L357-Y371 HydrophobicContact CG-CD1 3.89Å; L357-Y371 HydrophobicContact CG-CE1 3.94Å; L357-V372 HydrophobicContact CD1-CB 4.37Å; L357-V372 HydrophobicContact CD1-CG2 4Å; L357-V372 HydrophobicContact CD2-CG2 3.75Å; L357-H375 HydrophobicContact CD1-CB 3.6Å |
| 358 | A | 97.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T305 T308 M309 G354 I355 V356 S360 | T305-A358 WeakPolarHBondContact CA-O 3.41Å; T305-A358 WeakPolarHBondContact CG2-O 3.16Å; T308-A358 HydrophobicContact CG2-CB 3.53Å; M309-A358 HydrophobicContact CE-CB 4.38Å; M309-A358 HydrophobicContact CG-CB 3.9Å; G354-A358 WeakPolarHBondContact O-CB 3.23Å; G354-A358 PolarHBondContact O-N 2.83Å; I355-A358 PolarHBondContact O-N 3.14Å; V356-A358 VanDerWaalsContact C-N 3.3Å; V356-A358 PolarHBondContact O-N 3.35Å; A358-S360 PolarHBondContact O-N 2.72Å |
| 359 | N | 97.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | -83.6 | 109.7 | 176.5 | -171.4 | -54.8 | 0 | 0 | 0 | 111 | M309 V356 L357 S361 L362 D363 | M309-N359 HydrophobicContact CE-CB 3.77Å; V356-N359 WeakPolarHBondContact O-CB 3.23Å; V356-N359 PolarHBondContact O-N 3.17Å; L357-N359 PolarHBondContact O-N 3.09Å; N359-S361 PolarHBondContact O-N 3.26Å; N359-S361 VanDerWaalsContact O-N 3.11Å; N359-S361 WeakPolarHBondContact OD1-CA 3.37Å; N359-S361 VanDerWaalsContact OD1-CB 3.29Å; N359-S361 WeakPolarHBondContact OD1-CB 3.24Å; N359-S361 PolarHBondContact OD1-N 2.87Å; N359-L362 HydrophobicContact CB-CB 4.18Å; N359-L362 HydrophobicContact CB-CD1 4.08Å; N359-L362 HydrophobicContact CB-CG 4.13Å; N359-L362 PolarHBondContact O-N 2.79Å; N359-L362 PolarHBondContact OD1-N 2.9Å; N359-D363 PolarHBondContact O-N 3.31Å | ||
| 360 | S | 96.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -26.4 | -179.7 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | T305 A358 I364 | T305-S360 VanDerWaalsContact OG1-CB 3.3Å; T305-S360 WeakPolarHBondContact OG1-CB 3.04Å; T305-S360 PolarHBondContact OG1-N 3.47Å; T305-S360 PolarHBondContact OG1-OG 3.32Å; A358-S360 PolarHBondContact O-N 2.72Å; S360-I364 WeakPolarHBondContact O-CG1 3.48Å |
| 361 | S | 95.9 | Very high | 97.4 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 57% | 0.573 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -75.3 | -36.8 | 176 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | N359 | N359-S361 PolarHBondContact O-N 3.26Å; N359-S361 VanDerWaalsContact O-N 3.11Å; N359-S361 WeakPolarHBondContact OD1-CA 3.37Å; N359-S361 VanDerWaalsContact OD1-CB 3.29Å; N359-S361 WeakPolarHBondContact OD1-CB 3.24Å; N359-S361 PolarHBondContact OD1-N 2.87Å |
| 362 | L | 97.3 | Very high | 97.5 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 42% | 0.419 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -77.3 | -34.8 | 175.8 | -63.4 | 179.3 | 0 | 0 | 0 | 111.3 | V356 N359 I364 V365 L366 | V356-L362 HydrophobicContact CG1-CD1 3.82Å; N359-L362 HydrophobicContact CB-CB 4.18Å; N359-L362 HydrophobicContact CB-CD1 4.08Å; N359-L362 HydrophobicContact CB-CG 4.13Å; N359-L362 PolarHBondContact O-N 2.79Å; N359-L362 PolarHBondContact OD1-N 2.9Å; L362-I364 PolarHBondContact O-N 2.87Å; L362-V365 WeakPolarHBondContact O-CG2 3.47Å; L362-V365 PolarHBondContact O-N 3.31Å; L362-V365 VanDerWaalsContact O-N 3.12Å; L362-L366 HydrophobicContact CB-CD1 4.5Å; L362-L366 PolarHBondContact O-N 3.35Å |
| 363 | D | 96.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -29.2 | 179.2 | -162 | 52.5 | 0 | 0 | 0 | 111.5 | F292 N359 V365 L366 H367 | F292-D363 HydrophobicContact CB-CB 4.37Å; F292-D363 HydrophobicContact CD2-CB 3.84Å; N359-D363 PolarHBondContact O-N 3.31Å; D363-V365 PolarHBondContact O-N 3.04Å; D363-L366 PolarHBondContact O-N 3.2Å; D363-H367 WeakPolarHBondContact O-CA 3.06Å; D363-H367 WeakPolarHBondContact O-CB 3.47Å; D363-H367 PolarHBondContact O-N 3.07Å; D363-H367 IonicContact OD1-ND1 3.71Å; D363-H367 IonicContact OD2-CE1 3.31Å; D363-H367 IonicContact OD2-CG 3.79Å; D363-H367 IonicContact OD2-ND1 3.6Å; D363-H367 PolarHBondContact OD2-ND1 3.28Å |
| 364 | I | 95.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 38 Ų | 38 | 49% | 0.492 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -51.2 | -36.5 | 174.6 | -67.3 | 164.5 | 0 | 0 | 0 | 112.9 | S360 L362 | S360-I364 WeakPolarHBondContact O-CG1 3.48Å; L362-I364 PolarHBondContact O-N 2.87Å |
| 365 | V | 96.8 | Very high | 97.6 | Very high | 102 Ų | 102 | 39 Ų | 39 | 62% | 0.618 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -97.9 | -17.1 | -179.9 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | L362 D363 | L362-V365 WeakPolarHBondContact O-CG2 3.47Å; L362-V365 PolarHBondContact O-N 3.31Å; L362-V365 VanDerWaalsContact O-N 3.12Å; D363-V365 PolarHBondContact O-N 3.04Å |
| 366 | L | 98 | Very high | 97.5 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -102.1 | -18.7 | -178 | -61.4 | 178.5 | 0 | 0 | 0 | 113.3 | V356 L357 L362 D363 T369 Y371 V372 L432 | V356-L366 HydrophobicContact CG1-CD1 3.88Å; L357-L366 HydrophobicContact CD2-CB 3.72Å; L357-L366 HydrophobicContact CD2-CD1 3.98Å; L362-L366 HydrophobicContact CB-CD1 4.5Å; L362-L366 PolarHBondContact O-N 3.35Å; D363-L366 PolarHBondContact O-N 3.2Å; L366-T369 WeakPolarHBondContact O-CB 3.42Å; L366-T369 WeakPolarHBondContact O-CG2 3.36Å; L366-T369 PolarHBondContact O-N 2.92Å; L366-T369 VanDerWaalsContact O-N 3.14Å; L366-T369 PolarHBondContact O-OG1 3.31Å; L366-Y371 HydrophobicContact CD1-CD1 3.98Å; L366-Y371 HydrophobicContact CD1-CE1 4.07Å; L366-Y371 HydrophobicContact CD1-CG 4.34Å; L366-Y371 HydrophobicContact CD2-CD2 4.36Å; L366-Y371 HydrophobicContact CD2-CG 4.12Å; L366-V372 WeakPolarHBondContact O-CG2 3.22Å; L366-L432 HydrophobicContact CD2-CD2 4.05Å |
| 367 | H | 98.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 141 | -179.4 | -162.3 | 88.3 | 0 | 0 | 0 | 110.5 | H290 T293 D363 T369 | H290-H367 PolarHBondContact O-CE1 2.92Å; T293-H367 HydrophobicContact CG2-CB 3.49Å; T293-H367 VanDerWaalsContact CG2-CB 3.49Å; T293-H367 VanDerWaalsContact CG2-CG 3.49Å; T293-H367 PolarHBondContact OG1-CD2 2.73Å; T293-H367 VanDerWaalsContact OG1-CD2 3.3Å; T293-H367 PolarHBondContact OG1-NE2 3.03Å; D363-H367 WeakPolarHBondContact O-CA 3.06Å; D363-H367 WeakPolarHBondContact O-CB 3.47Å; D363-H367 PolarHBondContact O-N 3.07Å; D363-H367 IonicContact OD1-ND1 3.71Å; D363-H367 IonicContact OD2-CE1 3.31Å; D363-H367 IonicContact OD2-CG 3.79Å; D363-H367 IonicContact OD2-ND1 3.6Å; D363-H367 PolarHBondContact OD2-ND1 3.28Å; H367-T369 PolarHBondContact O-N 3.45Å |
| 368 | D | 97.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 17.6 | -176.7 | -73.4 | -34.5 | 0 | 0 | 0 | 115.5 | P436 R437 | D368-P436 CarbonylContact O-C 3.53Å; D368-P436 WeakPolarHBondContact O-CA 3.41Å; D368-R437 HydrophobicContact CB-CG 4.41Å; D368-R437 VanDerWaalsContact O-CG 3.32Å; D368-R437 WeakPolarHBondContact O-CG 3.32Å; D368-R437 PolarHBondContact O-N 2.96Å; D368-R437 IonicContact OD1-CZ 2.67Å; D368-R437 IonicContact OD1-NE 2.7Å; D368-R437 PolarHBondContact OD1-NE 2.85Å; D368-R437 IonicContact OD1-NH2 2.59Å; D368-R437 PolarHBondContact OD1-NH2 3.4Å |
| 369 | T | 98.5 | Very high | 97.2 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -97.3 | 171.1 | 171.7 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | L366 H367 Y371 V372 M435 | L366-T369 WeakPolarHBondContact O-CB 3.42Å; L366-T369 WeakPolarHBondContact O-CG2 3.36Å; L366-T369 PolarHBondContact O-N 2.92Å; L366-T369 VanDerWaalsContact O-N 3.14Å; L366-T369 PolarHBondContact O-OG1 3.31Å; H367-T369 PolarHBondContact O-N 3.45Å; T369-Y371 PolarHBondContact O-N 3.35Å; T369-Y371 VanDerWaalsContact O-N 3.12Å; T369-Y371 WeakPolarHBondContact OG1-CB 3.47Å; T369-Y371 PolarHBondContact OG1-N 2.95Å; T369-Y371 VanDerWaalsContact OG1-N 3.13Å; T369-V372 PolarHBondContact O-N 3.26Å; T369-M435 CarbonylContact C-O 3.58Å; T369-M435 VanDerWaalsContact CA-O 3.27Å; T369-M435 WeakPolarHBondContact CA-O 3.34Å; T369-M435 WeakPolarHBondContact CB-O 3.15Å |
| 370 | Y | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -12 | 170.2 | -91.5 | -102.2 | 0 | 0 | 0 | 114.2 | L40 V373 A374 Q427 L430 M435 P436 | L40-Y370 WeakPolarHBondContact CD1-OH 3Å; Y370-V373 HydrophobicContact CD1-CB 4.45Å; Y370-V373 PolarHBondContact O-N 3.27Å; Y370-A374 WeakPolarHBondContact O-CB 3.44Å; Y370-A374 PolarHBondContact O-N 3.04Å; Y370-Q427 CarbonylContact C-O 3.41Å; Y370-Q427 WeakPolarHBondContact CB-O 3.46Å; Y370-Q427 HydrophobicContact CD1-CB 4.04Å; Y370-Q427 HydrophobicContact CD1-CG 3.83Å; Y370-Q427 HydrophobicContact CE1-CG 4.41Å; Y370-L430 HydrophobicContact CD1-CD1 4.37Å; Y370-L430 HydrophobicContact CG-CB 4.34Å; Y370-M435 HydrophobicContact CD2-CB 4.24Å; Y370-M435 HydrophobicContact CD2-CE 4.13Å; Y370-M435 HydrophobicContact CD2-CG 3.75Å; Y370-M435 HydrophobicContact CD2-SD 3.78Å; Y370-M435 HydrophobicContact CE2-CE 3.55Å; Y370-M435 HydrophobicContact CE2-CG 4.06Å; Y370-M435 HydrophobicContact CE2-SD 3.85Å; Y370-M435 HydrophobicContact CG-SD 4.26Å; Y370-M435 PolarHBondContact N-O 3.47Å; Y370-P436 WeakPolarHBondContact CD2-O 3.3Å; Y370-P436 VanDerWaalsContact CE2-O 3.24Å; Y370-P436 WeakPolarHBondContact CE2-O 3.4Å |
| 371 | Y | 98.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 175.7 | -165.7 | -86.2 | 0 | 0 | 0 | 110.8 | V356 L357 L366 T369 V373 A374 H375 H428 G431 L432 | V356-Y371 HydrophobicContact CB-CE1 4.45Å; V356-Y371 HydrophobicContact CG1-CE1 4.39Å; L357-Y371 HydrophobicContact CD1-CD1 4.04Å; L357-Y371 HydrophobicContact CD1-CE1 4.3Å; L357-Y371 HydrophobicContact CD2-CD1 3.77Å; L357-Y371 HydrophobicContact CD2-CE1 4.19Å; L357-Y371 HydrophobicContact CG-CD1 3.89Å; L357-Y371 HydrophobicContact CG-CE1 3.94Å; L366-Y371 HydrophobicContact CD1-CD1 3.98Å; L366-Y371 HydrophobicContact CD1-CE1 4.07Å; L366-Y371 HydrophobicContact CD1-CG 4.34Å; L366-Y371 HydrophobicContact CD2-CD2 4.36Å; L366-Y371 HydrophobicContact CD2-CG 4.12Å; T369-Y371 PolarHBondContact O-N 3.35Å; T369-Y371 VanDerWaalsContact O-N 3.12Å; T369-Y371 WeakPolarHBondContact OG1-CB 3.47Å; T369-Y371 PolarHBondContact OG1-N 2.95Å; T369-Y371 VanDerWaalsContact OG1-N 3.13Å; Y371-V373 VanDerWaalsContact C-N 3.33Å; Y371-A374 PolarHBondContact O-N 3.13Å; Y371-H375 WeakPolarHBondContact O-CB 3.5Å; Y371-H375 PolarHBondContact O-N 3.37Å; Y371-H428 HydrophobicContact CD2-CB 4.16Å; Y371-H428 AromaticContact CD2-CD2 3.98Å; Y371-H428 HydrophobicContact CE2-CB 4.23Å; Y371-H428 AromaticContact CE2-CD2 3.83Å; Y371-G431 VanDerWaalsContact N-CA 3.35Å; Y371-L432 HydrophobicContact CD2-CD2 4.06Å; Y371-L432 HydrophobicContact CD2-CG 3.85Å; Y371-L432 HydrophobicContact CE2-CD1 4.31Å; Y371-L432 HydrophobicContact CE2-CD2 3.99Å; Y371-L432 HydrophobicContact CE2-CG 3.99Å |
| 372 | V | 98.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 17% | 0.17 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | L357 L366 T369 F376 | L357-V372 HydrophobicContact CD1-CB 4.37Å; L357-V372 HydrophobicContact CD1-CG2 4Å; L357-V372 HydrophobicContact CD2-CG2 3.75Å; L366-V372 WeakPolarHBondContact O-CG2 3.22Å; T369-V372 PolarHBondContact O-N 3.26Å; V372-F376 WeakPolarHBondContact O-CB 3.36Å; V372-F376 PolarHBondContact O-N 2.64Å |
| 373 | V | 98.1 | Very high | 94.5 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | Y370 Y371 F376 H377 R437 | Y370-V373 HydrophobicContact CD1-CB 4.45Å; Y370-V373 PolarHBondContact O-N 3.27Å; Y371-V373 VanDerWaalsContact C-N 3.33Å; V373-F376 PolarHBondContact O-N 3.14Å; V373-H377 PolarHBondContact O-N 3.41Å; V373-H377 PolarHBondContact O-ND1 2.93Å; V373-R437 HydrophobicContact CG2-CB 3.84Å |
| 374 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -51 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y370 Y371 F376 H377 Y378 Q427 H428 | Y370-A374 WeakPolarHBondContact O-CB 3.44Å; Y370-A374 PolarHBondContact O-N 3.04Å; Y371-A374 PolarHBondContact O-N 3.13Å; A374-F376 VanDerWaalsContact C-N 3.32Å; A374-F376 PolarHBondContact O-N 3.43Å; A374-H377 PolarHBondContact O-N 3.46Å; A374-Y378 WeakPolarHBondContact O-CD2 3.32Å; A374-Y378 PolarHBondContact O-N 2.96Å; A374-Q427 HydrophobicContact CB-CB 3.73Å; A374-H428 WeakPolarHBondContact CB-NE2 3.46Å |
| 375 | H | 98.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 25.5 Ų | 25.5 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -50.4 | -53.6 | 175.1 | 165 | 60.5 | 0 | 0 | 0 | 111.2 | G350 T353 G354 L357 Y371 H377 Y378 V379 | G350-H375 PolarHBondContact O-CE1 3.5Å; G350-H375 PolarHBondContact O-ND1 3.22Å; T353-H375 PolarHBondContact OG1-ND1 3Å; G354-H375 WeakPolarHBondContact CA-CE1 3.3Å; G354-H375 VanDerWaalsContact CA-ND1 3.33Å; G354-H375 WeakPolarHBondContact CA-ND1 3.43Å; G354-H375 PolarHBondContact N-CE1 3.12Å; G354-H375 PolarHBondContact N-ND1 3.4Å; G354-H375 VanDerWaalsContact N-ND1 3.12Å; L357-H375 HydrophobicContact CD1-CB 3.6Å; Y371-H375 WeakPolarHBondContact O-CB 3.5Å; Y371-H375 PolarHBondContact O-N 3.37Å; H375-H377 PolarHBondContact O-N 2.98Å; H375-Y378 PolarHBondContact O-N 3.08Å; H375-Y378 VanDerWaalsContact O-N 3.14Å; H375-V379 PolarHBondContact O-N 3.3Å; H375-V379 VanDerWaalsContact O-N 3.08Å |
| 376 | F | 95.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 20.8 Ų | 20.8 | 22% | 0.215 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | -177.2 | -173.4 | -115.1 | 0 | 0 | 0 | 112.2 | V242 V372 V373 A374 Y378 V379 L380 | V242-F376 HydrophobicContact CB-CE2 4.33Å; V242-F376 HydrophobicContact CG1-CE2 3.58Å; V242-F376 HydrophobicContact CG1-CZ 4.14Å; V372-F376 WeakPolarHBondContact O-CB 3.36Å; V372-F376 PolarHBondContact O-N 2.64Å; V373-F376 PolarHBondContact O-N 3.14Å; A374-F376 VanDerWaalsContact C-N 3.32Å; A374-F376 PolarHBondContact O-N 3.43Å; F376-Y378 VanDerWaalsContact C-N 3.34Å; F376-Y378 PolarHBondContact O-N 3.44Å; F376-V379 HydrophobicContact CD2-CG2 4.22Å; F376-V379 WeakPolarHBondContact O-CG2 3.14Å; F376-V379 PolarHBondContact O-N 3.49Å; F376-L380 HydrophobicContact CD1-CB 4.4Å; F376-L380 HydrophobicContact CD2-CB 4.44Å; F376-L380 HydrophobicContact CE1-CB 4.12Å; F376-L380 HydrophobicContact CE1-CD2 3.69Å; F376-L380 HydrophobicContact CE1-CG 4.3Å; F376-L380 HydrophobicContact CE2-CB 4.13Å; F376-L380 HydrophobicContact CE2-CD1 4.24Å; F376-L380 HydrophobicContact CZ-CB 3.98Å; F376-L380 HydrophobicContact CZ-CD1 3.82Å; F376-L380 HydrophobicContact CZ-CD2 3.84Å; F376-L380 HydrophobicContact CZ-CG 4.07Å; F376-L380 WeakPolarHBondContact O-CA 3.07Å; F376-L380 WeakPolarHBondContact O-CB 3.41Å; F376-L380 PolarHBondContact O-N 2.91Å |
| 377 | H | 97.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 20.3 Ų | 20.3 | 18% | 0.181 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.6 | -28 | 175.5 | -73.6 | 81.5 | 0 | 0 | 0 | 112.7 | V373 A374 H375 S381 M382 F424 | V373-H377 PolarHBondContact O-N 3.41Å; V373-H377 PolarHBondContact O-ND1 2.93Å; A374-H377 PolarHBondContact O-N 3.46Å; H375-H377 PolarHBondContact O-N 2.98Å; H377-S381 CarbonylContact O-C 3.5Å; H377-S381 VanDerWaalsContact O-CA 3.29Å; H377-S381 WeakPolarHBondContact O-CA 3.35Å; H377-S381 WeakPolarHBondContact O-CB 3.49Å; H377-S381 PolarHBondContact O-N 3.05Å; H377-M382 PolarHBondContact O-N 3.03Å; H377-F424 HydrophobicContact CB-CB 4.47Å; H377-F424 HydrophobicContact CB-CD1 3.44Å; H377-F424 VanDerWaalsContact CB-CD1 3.44Å; H377-F424 HydrophobicContact CB-CD2 4.01Å; H377-F424 HydrophobicContact CB-CE1 3.51Å; H377-F424 HydrophobicContact CB-CE2 4.06Å; H377-F424 HydrophobicContact CB-CG 3.71Å; H377-F424 HydrophobicContact CB-CZ 3.83Å; H377-F424 AromaticContact CD2-CE1 3.21Å; H377-F424 WeakPolarHBondContact CD2-CE1 3.26Å; H377-F424 AromaticContact CD2-CZ 3.33Å; H377-F424 WeakPolarHBondContact CD2-CZ 3.27Å; H377-F424 AromaticContact CG-CD1 3.7Å; H377-F424 AromaticContact CG-CE1 3.33Å; H377-F424 AromaticContact CG-CZ 3.78Å; H377-F424 AromaticContact NE2-CE1 3.95Å |
| 378 | Y | 97.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 169.7 | -91.7 | -94.8 | 0 | 0 | 0 | 113.1 | L346 V349 A374 H375 F376 M382 G383 N421 F424 F425 H428 | L346-Y378 HydrophobicContact CB-CD1 4.29Å; L346-Y378 HydrophobicContact CB-CE1 4.46Å; L346-Y378 HydrophobicContact CD2-CD1 4.42Å; L346-Y378 HydrophobicContact CD2-CE1 3.76Å; L346-Y378 WeakPolarHBondContact O-CD1 3.28Å; V349-Y378 HydrophobicContact CB-CD1 4.14Å; V349-Y378 HydrophobicContact CB-CE1 4.26Å; V349-Y378 HydrophobicContact CG1-CD1 3.98Å; V349-Y378 HydrophobicContact CG1-CE1 3.89Å; A374-Y378 WeakPolarHBondContact O-CD2 3.32Å; A374-Y378 PolarHBondContact O-N 2.96Å; H375-Y378 PolarHBondContact O-N 3.08Å; H375-Y378 VanDerWaalsContact O-N 3.14Å; F376-Y378 VanDerWaalsContact C-N 3.34Å; F376-Y378 PolarHBondContact O-N 3.44Å; Y378-M382 HydrophobicContact CD1-CE 3.48Å; Y378-M382 VanDerWaalsContact CD1-CE 3.48Å; Y378-M382 HydrophobicContact CD1-SD 3.77Å; Y378-M382 HydrophobicContact CD2-CE 3.27Å; Y378-M382 HydrophobicContact CE1-CE 3.56Å; Y378-M382 HydrophobicContact CE1-SD 3.63Å; Y378-M382 HydrophobicContact CE2-CE 3.35Å; Y378-M382 HydrophobicContact CE2-SD 4.43Å; Y378-M382 HydrophobicContact CG-CE 3.33Å; Y378-M382 HydrophobicContact CG-SD 4.23Å; Y378-M382 VanDerWaalsContact CZ-CE 3.47Å; Y378-M382 CarbonylContact O-C 3.47Å; Y378-M382 VanDerWaalsContact O-CB 3.29Å; Y378-M382 WeakPolarHBondContact O-CB 3.34Å; Y378-G383 PolarHBondContact O-N 3.24Å; Y378-N421 PolarHBondContact OH-OD1 2.94Å; Y378-F424 HydrophobicContact CD2-CB 4.01Å; Y378-F424 HydrophobicContact CE2-CB 3.65Å; Y378-F425 WeakPolarHBondContact OH-CB 3.48Å; Y378-H428 AromaticContact CD2-CE1 3.55Å; Y378-H428 AromaticContact CE2-CE1 3.56Å |
| 379 | V | 93.5 | Very high | 94.4 | Very high | 26 Ų | 26 | 17 Ų | 17 | 16% | 0.158 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -85.4 | -31.4 | 179.1 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | F347 H375 F376 G383 | F347-V379 HydrophobicContact CD2-CB 4.35Å; F347-V379 HydrophobicContact CD2-CG1 4.39Å; F347-V379 HydrophobicContact CE2-CB 4.1Å; F347-V379 HydrophobicContact CE2-CG1 4.2Å; H375-V379 PolarHBondContact O-N 3.3Å; H375-V379 VanDerWaalsContact O-N 3.08Å; F376-V379 HydrophobicContact CD2-CG2 4.22Å; F376-V379 WeakPolarHBondContact O-CG2 3.14Å; F376-V379 PolarHBondContact O-N 3.49Å; V379-G383 WeakPolarHBondContact O-CA 3.45Å; V379-G383 PolarHBondContact O-N 3.11Å |
| 380 | L | 84.3 | Confident | 94.4 | Very high | 21 Ų | 21 | 16.5 Ų | 16.5 | 11% | 0.11 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -91 | -61.8 | 179.2 | -168.3 | 90.6 | 0 | 0 | 0 | 112 | I65 L245 F376 A384 V385 | I65-L380 HydrophobicContact CG1-CD2 4.43Å; L245-L380 HydrophobicContact CB-CD1 3.88Å; L245-L380 HydrophobicContact CD1-CD1 3.39Å; L245-L380 HydrophobicContact CG-CD1 4.24Å; F376-L380 HydrophobicContact CD1-CB 4.4Å; F376-L380 HydrophobicContact CD2-CB 4.44Å; F376-L380 HydrophobicContact CE1-CB 4.12Å; F376-L380 HydrophobicContact CE1-CD2 3.69Å; F376-L380 HydrophobicContact CE1-CG 4.3Å; F376-L380 HydrophobicContact CE2-CB 4.13Å; F376-L380 HydrophobicContact CE2-CD1 4.24Å; F376-L380 HydrophobicContact CZ-CB 3.98Å; F376-L380 HydrophobicContact CZ-CD1 3.82Å; F376-L380 HydrophobicContact CZ-CD2 3.84Å; F376-L380 HydrophobicContact CZ-CG 4.07Å; F376-L380 WeakPolarHBondContact O-CA 3.07Å; F376-L380 WeakPolarHBondContact O-CB 3.41Å; F376-L380 PolarHBondContact O-N 2.91Å; L380-A384 WeakPolarHBondContact O-CA 3.32Å; L380-A384 VanDerWaalsContact O-CB 3.23Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 3.42Å; L380-V385 PolarHBondContact O-N 2.65Å |
| 381 | S | 76.1 | Confident | 94.4 | Very high | 25 Ų | 25 | 16 Ų | 16 | 18% | 0.175 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -65.8 | -50.1 | -178.8 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | H377 V385 | H377-S381 CarbonylContact O-C 3.5Å; H377-S381 VanDerWaalsContact O-CA 3.29Å; H377-S381 WeakPolarHBondContact O-CA 3.35Å; H377-S381 WeakPolarHBondContact O-CB 3.49Å; H377-S381 PolarHBondContact O-N 3.05Å; S381-V385 WeakPolarHBondContact O-CB 3.49Å; S381-V385 PolarHBondContact O-N 3.31Å |
| 382 | M | 81.5 | Confident | 94.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -84.7 | -9.7 | -179.6 | -68.6 | 172 | -94.8 | 0 | 0 | 114 | L346 H377 Y378 F386 V420 F424 | L346-M382 HydrophobicContact CB-CB 3.7Å; L346-M382 HydrophobicContact CB-CG 4.28Å; L346-M382 HydrophobicContact CB-SD 3.96Å; L346-M382 HydrophobicContact CD1-CB 4Å; L346-M382 HydrophobicContact CD1-CG 3.84Å; L346-M382 HydrophobicContact CD1-SD 3.61Å; L346-M382 HydrophobicContact CD2-SD 3.87Å; L346-M382 HydrophobicContact CG-CB 4.44Å; L346-M382 HydrophobicContact CG-SD 4Å; H377-M382 PolarHBondContact O-N 3.03Å; Y378-M382 HydrophobicContact CD1-CE 3.48Å; Y378-M382 VanDerWaalsContact CD1-CE 3.48Å; Y378-M382 HydrophobicContact CD1-SD 3.77Å; Y378-M382 HydrophobicContact CD2-CE 3.27Å; Y378-M382 HydrophobicContact CE1-CE 3.56Å; Y378-M382 HydrophobicContact CE1-SD 3.63Å; Y378-M382 HydrophobicContact CE2-CE 3.35Å; Y378-M382 HydrophobicContact CE2-SD 4.43Å; Y378-M382 HydrophobicContact CG-CE 3.33Å; Y378-M382 HydrophobicContact CG-SD 4.23Å; Y378-M382 VanDerWaalsContact CZ-CE 3.47Å; Y378-M382 CarbonylContact O-C 3.47Å; Y378-M382 VanDerWaalsContact O-CB 3.29Å; Y378-M382 WeakPolarHBondContact O-CB 3.34Å; M382-F386 HydrophobicContact CB-CD2 4.39Å; M382-F386 HydrophobicContact CB-CE2 4.46Å; M382-F386 HydrophobicContact CG-CD2 4.4Å; M382-F386 HydrophobicContact CG-CE2 4.02Å; M382-F386 VanDerWaalsContact O-CB 3.3Å; M382-F386 WeakPolarHBondContact O-CB 3.48Å; M382-F386 WeakPolarHBondContact O-CG 3.48Å; M382-V420 HydrophobicContact CG-CB 4.19Å; M382-V420 HydrophobicContact CG-CG2 3.75Å; M382-V420 HydrophobicContact SD-CB 4.16Å; M382-V420 HydrophobicContact SD-CG2 3.64Å; M382-F424 HydrophobicContact CE-CB 3.85Å; M382-F424 HydrophobicContact CE-CD2 3.58Å; M382-F424 HydrophobicContact CE-CG 4.1Å |
| 383 | G | 87.4 | Confident | 94.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -89.8 | -74.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112 | F343 Y378 V379 F386 A387 | F343-G383 WeakPolarHBondContact CD2-O 3.47Å; F343-G383 VanDerWaalsContact CE2-CA 3.48Å; F343-G383 VanDerWaalsContact CE2-O 3.27Å; F343-G383 WeakPolarHBondContact CE2-O 3.17Å; Y378-G383 PolarHBondContact O-N 3.24Å; V379-G383 WeakPolarHBondContact O-CA 3.45Å; V379-G383 PolarHBondContact O-N 3.11Å; G383-F386 PolarHBondContact O-N 3.47Å; G383-A387 WeakPolarHBondContact O-CB 3.29Å; G383-A387 PolarHBondContact O-N 3.34Å |
| 384 | A | 93.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -61.4 | -49.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V69 M73 L245 L380 F386 A387 I388 | V69-A384 HydrophobicContact CG1-CB 3.8Å; M73-A384 HydrophobicContact CE-CB 4.04Å; M73-A384 HydrophobicContact SD-CB 4.36Å; L245-A384 WeakPolarHBondContact O-CB 3.48Å; L380-A384 WeakPolarHBondContact O-CA 3.32Å; L380-A384 VanDerWaalsContact O-CB 3.23Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 3.42Å; A384-F386 PolarHBondContact O-N 3.41Å; A384-A387 PolarHBondContact O-N 2.92Å; A384-I388 WeakPolarHBondContact O-CB 3.37Å; A384-I388 VanDerWaalsContact O-CG1 3.27Å; A384-I388 WeakPolarHBondContact O-CG1 3.27Å; A384-I388 PolarHBondContact O-N 2.94Å |
| 385 | V | 95.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 14.7 Ų | 14.7 | 12% | 0.115 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -67.8 | -38.1 | -176.9 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | M68 L380 S381 I388 M389 | M68-V385 HydrophobicContact CE-CG1 4.31Å; M68-V385 HydrophobicContact CE-CG2 4.23Å; L380-V385 PolarHBondContact O-N 2.65Å; S381-V385 WeakPolarHBondContact O-CB 3.49Å; S381-V385 PolarHBondContact O-N 3.31Å; V385-I388 WeakPolarHBondContact O-CB 3.25Å; V385-I388 PolarHBondContact O-N 2.88Å; V385-M389 HydrophobicContact CG1-CE 4Å; V385-M389 HydrophobicContact CG1-CG 4.25Å; V385-M389 VanDerWaalsContact O-CG 3.25Å; V385-M389 WeakPolarHBondContact O-CG 3.24Å; V385-M389 PolarHBondContact O-N 3.3Å |
| 386 | F | 97.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.009 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 176.2 | -86.5 | -125.6 | 0 | 0 | 0 | 112 | W339 F343 L346 M382 G383 A384 M389 G390 F413 M416 F417 V420 | W339-F386 HydrophobicContact CE3-CB 4.09Å; W339-F386 AromaticContact CE3-CD1 3.57Å; W339-F386 HydrophobicContact CE3-CD1 3.57Å; W339-F386 HydrophobicContact CE3-CD2 4.21Å; W339-F386 AromaticContact CE3-CE1 3.93Å; W339-F386 HydrophobicContact CE3-CE1 3.93Å; W339-F386 AromaticContact CE3-CG 3.71Å; W339-F386 HydrophobicContact CE3-CG 3.71Å; W339-F386 HydrophobicContact CE3-CZ 4.4Å; W339-F386 AromaticContact CZ3-CD1 3.87Å; W339-F386 HydrophobicContact CZ3-CD1 3.87Å; W339-F386 AromaticContact CZ3-CD2 3.82Å; W339-F386 HydrophobicContact CZ3-CD2 3.82Å; W339-F386 AromaticContact CZ3-CE1 3.9Å; W339-F386 HydrophobicContact CZ3-CE1 3.9Å; W339-F386 AromaticContact CZ3-CE2 3.86Å; W339-F386 HydrophobicContact CZ3-CE2 3.86Å; W339-F386 AromaticContact CZ3-CG 3.82Å; W339-F386 HydrophobicContact CZ3-CG 3.82Å; W339-F386 AromaticContact CZ3-CZ 3.9Å; W339-F386 HydrophobicContact CZ3-CZ 3.9Å; F343-F386 HydrophobicContact CB-CB 4.17Å; F343-F386 HydrophobicContact CD2-CB 4.44Å; L346-F386 HydrophobicContact CD1-CD1 4.34Å; L346-F386 HydrophobicContact CD1-CE1 3.67Å; L346-F386 HydrophobicContact CD1-CZ 3.78Å; M382-F386 HydrophobicContact CB-CD2 4.39Å; M382-F386 HydrophobicContact CB-CE2 4.46Å; M382-F386 HydrophobicContact CG-CD2 4.4Å; M382-F386 HydrophobicContact CG-CE2 4.02Å; M382-F386 VanDerWaalsContact O-CB 3.3Å; M382-F386 WeakPolarHBondContact O-CB 3.48Å; M382-F386 WeakPolarHBondContact O-CG 3.48Å; G383-F386 PolarHBondContact O-N 3.47Å; A384-F386 PolarHBondContact O-N 3.41Å; F386-M389 PolarHBondContact O-N 2.8Å; F386-G390 PolarHBondContact O-N 2.94Å; F386-F413 HydrophobicContact CE1-CE2 4.07Å; F386-M416 HydrophobicContact CE2-CG 4.21Å; F386-M416 HydrophobicContact CZ-CG 4.43Å; F386-F417 HydrophobicContact CE1-CD2 4.08Å; F386-F417 HydrophobicContact CZ-CD2 4.4Å; F386-V420 HydrophobicContact CE2-CG2 4.03Å; F386-V420 HydrophobicContact CZ-CG2 3.94Å |
| 387 | A | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | G249 M252 I253 F343 G383 A384 G391 | G249-A387 VanDerWaalsContact CA-CB 3.48Å; M252-A387 HydrophobicContact CE-CB 3.99Å; I253-A387 HydrophobicContact CD1-CB 4.21Å; I253-A387 HydrophobicContact CG1-CB 4.15Å; F343-A387 HydrophobicContact CD2-CB 4.17Å; F343-A387 HydrophobicContact CE2-CB 4.22Å; G383-A387 WeakPolarHBondContact O-CB 3.29Å; G383-A387 PolarHBondContact O-N 3.34Å; A384-A387 PolarHBondContact O-N 2.92Å; A387-G391 PolarHBondContact O-N 3.36Å |
| 388 | I | 98.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 10.3 Ų | 10.3 | 4% | 0.041 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 172.1 | -73.3 | 167.1 | 0 | 0 | 0 | 110.9 | V69 I72 M73 F77 A384 V385 G391 F392 | V69-I388 HydrophobicContact CG1-CD1 4.48Å; I72-I388 HydrophobicContact CB-CD1 4.19Å; I72-I388 HydrophobicContact CD1-CG2 4.5Å; I72-I388 HydrophobicContact CG2-CB 4.37Å; I72-I388 HydrophobicContact CG2-CD1 3.94Å; I72-I388 HydrophobicContact CG2-CG1 3.83Å; I72-I388 HydrophobicContact CG2-CG2 3.67Å; M73-I388 HydrophobicContact CG-CD1 3.83Å; M73-I388 HydrophobicContact CG-CG1 3.58Å; M73-I388 HydrophobicContact SD-CD1 4.41Å; M73-I388 HydrophobicContact SD-CG1 4.15Å; F77-I388 HydrophobicContact CE2-CG2 4.44Å; A384-I388 WeakPolarHBondContact O-CB 3.37Å; A384-I388 VanDerWaalsContact O-CG1 3.27Å; A384-I388 WeakPolarHBondContact O-CG1 3.27Å; A384-I388 PolarHBondContact O-N 2.94Å; V385-I388 WeakPolarHBondContact O-CB 3.25Å; V385-I388 PolarHBondContact O-N 2.88Å; I388-G391 PolarHBondContact O-N 2.92Å; I388-F392 WeakPolarHBondContact O-CB 3.46Å; I388-F392 PolarHBondContact O-N 2.9Å |
| 389 | M | 98.2 | Very high | 94.1 | Very high | 31 Ų | 31 | 11.6 Ų | 11.6 | 15% | 0.153 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | -178.5 | -67.1 | -60 | 162.1 | 0 | 0 | 111.9 | W339 V385 F386 F392 I393 M467 | W339-M389 HydrophobicContact CD2-CB 3.68Å; W339-M389 HydrophobicContact CE3-CB 3.64Å; W339-M389 HydrophobicContact CE3-CG 4.36Å; W339-M389 HydrophobicContact CG-CB 4.36Å; W339-M389 HydrophobicContact CH2-CB 3.92Å; W339-M389 HydrophobicContact CH2-CG 3.95Å; W339-M389 HydrophobicContact CZ2-CB 3.99Å; W339-M389 HydrophobicContact CZ2-CG 4.35Å; W339-M389 HydrophobicContact CZ3-CB 3.75Å; W339-M389 HydrophobicContact CZ3-CG 3.97Å; V385-M389 HydrophobicContact CG1-CE 4Å; V385-M389 HydrophobicContact CG1-CG 4.25Å; V385-M389 VanDerWaalsContact O-CG 3.25Å; V385-M389 WeakPolarHBondContact O-CG 3.24Å; V385-M389 PolarHBondContact O-N 3.3Å; F386-M389 PolarHBondContact O-N 2.8Å; M389-F392 PolarHBondContact O-N 3.21Å; M389-I393 WeakPolarHBondContact O-CB 3.4Å; M389-I393 WeakPolarHBondContact O-CG1 3.47Å; M389-I393 PolarHBondContact O-N 3.47Å; M389-M467 HydrophobicContact CE-CE 4.49Å; M389-M467 HydrophobicContact SD-CE 3.26Å; M389-M467 WeakPolarHBondContact SD-CE 3.33Å |
| 390 | G | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F386 I393 H394 | F386-G390 PolarHBondContact O-N 2.94Å; G390-I393 PolarHBondContact O-N 2.9Å; G390-H394 VanDerWaalsContact O-CB 3.32Å; G390-H394 WeakPolarHBondContact O-CB 3.32Å; G390-H394 PolarHBondContact O-N 2.83Å |
| 391 | G | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A387 I388 I393 H394 W395 | A387-G391 PolarHBondContact O-N 3.36Å; I388-G391 PolarHBondContact O-N 2.92Å; G391-I393 PolarHBondContact O-N 3.33Å; G391-H394 PolarHBondContact O-N 2.93Å; G391-W395 PolarHBondContact O-N 2.99Å |
| 392 | F | 98.3 | Very high | 95.6 | Very high | 38 Ų | 38 | 11.9 Ų | 11.9 | 17% | 0.167 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 178.2 | -179.4 | -99.9 | 0 | 0 | 0 | 110.1 | F77 I388 M389 H394 W395 F396 L404 M467 I471 | F77-F392 HydrophobicContact CZ-CB 4.23Å; I388-F392 WeakPolarHBondContact O-CB 3.46Å; I388-F392 PolarHBondContact O-N 2.9Å; M389-F392 PolarHBondContact O-N 3.21Å; F392-H394 VanDerWaalsContact C-N 3.3Å; F392-H394 PolarHBondContact O-N 3.33Å; F392-W395 PolarHBondContact O-N 3.43Å; F392-F396 AromaticContact CE1-CD2 3.75Å; F392-F396 HydrophobicContact CE1-CD2 3.75Å; F392-F396 HydrophobicContact CE1-CE2 4.29Å; F392-F396 HydrophobicContact CE1-CG 4.44Å; F392-F396 AromaticContact CE2-CD2 3.85Å; F392-F396 HydrophobicContact CE2-CD2 3.85Å; F392-F396 HydrophobicContact CE2-CE2 4.47Å; F392-F396 AromaticContact CZ-CD2 3.33Å; F392-F396 HydrophobicContact CZ-CD2 3.33Å; F392-F396 AromaticContact CZ-CE2 3.73Å; F392-F396 HydrophobicContact CZ-CE2 3.73Å; F392-F396 HydrophobicContact CZ-CG 4.38Å; F392-F396 WeakPolarHBondContact O-CA 3.27Å; F392-F396 WeakPolarHBondContact O-CB 3.38Å; F392-F396 PolarHBondContact O-N 3.5Å; F392-L404 HydrophobicContact CE1-CD1 4.32Å; F392-M467 HydrophobicContact CD1-CE 4.01Å; F392-M467 HydrophobicContact CD1-SD 4.27Å; F392-M467 HydrophobicContact CE1-CE 4.31Å; F392-M467 HydrophobicContact CE1-SD 3.96Å; F392-I471 HydrophobicContact CE1-CD1 4.08Å; F392-I471 HydrophobicContact CE1-CG1 4.06Å; F392-I471 HydrophobicContact CZ-CD1 3.76Å; F392-I471 HydrophobicContact CZ-CG1 3.94Å |
| 393 | I | 97.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 178.5 | -69.4 | 164.2 | 0 | 0 | 0 | 111.7 | A335 A336 W339 M389 G390 G391 L404 | A335-I393 HydrophobicContact CB-CD1 4.41Å; A335-I393 HydrophobicContact CB-CG2 4.2Å; A336-I393 HydrophobicContact CB-CG2 4.14Å; W339-I393 VanDerWaalsContact CD1-CD1 3.4Å; W339-I393 HydrophobicContact CG-CD1 4.49Å; M389-I393 WeakPolarHBondContact O-CB 3.4Å; M389-I393 WeakPolarHBondContact O-CG1 3.47Å; M389-I393 PolarHBondContact O-N 3.47Å; G390-I393 PolarHBondContact O-N 2.9Å; G391-I393 PolarHBondContact O-N 3.33Å; I393-L404 HydrophobicContact CB-CD1 4.45Å; I393-L404 HydrophobicContact CG1-CD1 3.91Å |
| 394 | H | 96.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 3% | 0.028 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68 | -47.6 | 178.6 | 177.4 | 49.6 | 0 | 0 | 0 | 112.6 | I256 Y259 Y260 A336 G390 G391 F392 P397 W493 | I256-H394 HydrophobicContact CD1-CB 4.46Å; I256-H394 HydrophobicContact CG1-CB 4.06Å; Y259-H394 AromaticContact CD1-CE1 3.75Å; Y259-H394 AromaticContact CG-CE1 3.71Å; Y260-H394 AromaticContact CE2-ND1 3.82Å; A336-H394 HydrophobicContact CB-CB 4.22Å; G390-H394 VanDerWaalsContact O-CB 3.32Å; G390-H394 WeakPolarHBondContact O-CB 3.32Å; G390-H394 PolarHBondContact O-N 2.83Å; G391-H394 PolarHBondContact O-N 2.93Å; F392-H394 VanDerWaalsContact C-N 3.3Å; F392-H394 PolarHBondContact O-N 3.33Å; H394-P397 WeakPolarHBondContact O-CD 3.41Å; H394-W493 AromaticContact CE1-CZ2 3.84Å; H394-W493 AromaticContact NE2-CZ2 3.99Å; H394-W493 WeakPolarHBondContact O-CH2 3.43Å |
| 395 | W | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -97.6 | -0.6 | -175.9 | -67.9 | -67.8 | 0 | 0 | 0 | 114.6 | F77 L81 M85 M252 H255 G391 F392 P397 L398 F399 W493 | F77-W395 AromaticContact CD1-CE3 3.91Å; F77-W395 HydrophobicContact CD1-CE3 3.91Å; F77-W395 HydrophobicContact CD1-CZ3 4.39Å; F77-W395 AromaticContact CE1-CE3 3.71Å; F77-W395 HydrophobicContact CE1-CE3 3.71Å; F77-W395 HydrophobicContact CE1-CZ3 4.39Å; L81-W395 HydrophobicContact CD1-CD2 3.71Å; L81-W395 HydrophobicContact CD1-CE3 3.83Å; L81-W395 HydrophobicContact CD1-CG 4.35Å; L81-W395 HydrophobicContact CD1-CH2 4.02Å; L81-W395 HydrophobicContact CD1-CZ2 3.87Å; L81-W395 HydrophobicContact CD1-CZ3 4Å; L81-W395 HydrophobicContact CD2-CD2 4.26Å; L81-W395 HydrophobicContact CD2-CG 4.08Å; M85-W395 HydrophobicContact CE-CZ2 3.73Å; M252-W395 HydrophobicContact CB-CH2 4.14Å; M252-W395 HydrophobicContact CB-CZ3 3.97Å; M252-W395 HydrophobicContact CG-CH2 4.01Å; M252-W395 HydrophobicContact CG-CZ3 3.67Å; M252-W395 HydrophobicContact SD-CZ3 4.04Å; H255-W395 HydrophobicContact CB-CH2 4.07Å; H255-W395 HydrophobicContact CB-CZ2 3.97Å; G391-W395 PolarHBondContact O-N 2.99Å; F392-W395 PolarHBondContact O-N 3.43Å; W395-P397 VanDerWaalsContact C-CD 3.43Å; W395-P397 VanDerWaalsContact C-N 3.29Å; W395-L398 HydrophobicContact CB-CB 4.39Å; W395-L398 WeakPolarHBondContact O-CA 3.37Å; W395-L398 VanDerWaalsContact O-CB 3.23Å; W395-L398 WeakPolarHBondContact O-CB 3.43Å; W395-L398 PolarHBondContact O-N 3.39Å; W395-F399 HydrophobicContact CB-CD2 4.39Å; W395-F399 HydrophobicContact CB-CE1 3.89Å; W395-F399 HydrophobicContact CB-CE2 3.7Å; W395-F399 HydrophobicContact CB-CZ 3.41Å; W395-F399 VanDerWaalsContact CB-CZ 3.41Å; W395-F399 HydrophobicContact CG-CZ 4.28Å; W395-F399 WeakPolarHBondContact O-CD2 3.21Å; W395-F399 WeakPolarHBondContact O-CG 3.31Å; W395-F399 PolarHBondContact O-N 2.99Å; W395-W493 AromaticContact CD1-CH2 3.91Å; W395-W493 AromaticContact CD1-CZ2 3.4Å; W395-W493 HydrophobicContact CG-CZ2 4.36Å; W395-W493 AromaticContact NE1-CZ2 3.83Å |
| 396 | F | 97.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -53.3 | -41.5 | 174.3 | -178.6 | -97.1 | 0 | 0 | 0 | 112.9 | F392 L398 F399 S400 Y402 L404 A474 F475 | F392-F396 AromaticContact CE1-CD2 3.75Å; F392-F396 HydrophobicContact CE1-CD2 3.75Å; F392-F396 HydrophobicContact CE1-CE2 4.29Å; F392-F396 HydrophobicContact CE1-CG 4.44Å; F392-F396 AromaticContact CE2-CD2 3.85Å; F392-F396 HydrophobicContact CE2-CD2 3.85Å; F392-F396 HydrophobicContact CE2-CE2 4.47Å; F392-F396 AromaticContact CZ-CD2 3.33Å; F392-F396 HydrophobicContact CZ-CD2 3.33Å; F392-F396 AromaticContact CZ-CE2 3.73Å; F392-F396 HydrophobicContact CZ-CE2 3.73Å; F392-F396 HydrophobicContact CZ-CG 4.38Å; F392-F396 WeakPolarHBondContact O-CA 3.27Å; F392-F396 WeakPolarHBondContact O-CB 3.38Å; F392-F396 PolarHBondContact O-N 3.5Å; F396-L398 VanDerWaalsContact C-N 3.31Å; F396-L398 PolarHBondContact O-N 2.7Å; F396-F399 PolarHBondContact O-N 3.12Å; F396-S400 WeakPolarHBondContact CE1-OG 3.44Å; F396-S400 WeakPolarHBondContact O-CB 3.41Å; F396-S400 PolarHBondContact O-N 3.1Å; F396-S400 PolarHBondContact O-OG 3.15Å; F396-Y402 VanDerWaalsContact CD1-O 3.3Å; F396-Y402 WeakPolarHBondContact CD1-O 3.24Å; F396-L404 HydrophobicContact CB-CD1 4.23Å; F396-L404 HydrophobicContact CB-CG 4.44Å; F396-L404 HydrophobicContact CD1-CD1 4.24Å; F396-L404 HydrophobicContact CD1-CD2 3.82Å; F396-L404 HydrophobicContact CD1-CG 3.57Å; F396-L404 HydrophobicContact CE1-CD2 3.61Å; F396-L404 HydrophobicContact CE1-CG 3.89Å; F396-L404 HydrophobicContact CE2-CD2 4.36Å; F396-L404 HydrophobicContact CG-CD1 4.16Å; F396-L404 HydrophobicContact CG-CD2 4.27Å; F396-L404 HydrophobicContact CG-CG 3.99Å; F396-L404 HydrophobicContact CZ-CD2 3.9Å; F396-A474 HydrophobicContact CE1-CB 3.8Å; F396-A474 HydrophobicContact CZ-CB 3.94Å; F396-F475 HydrophobicContact CE2-CE2 4.31Å; F396-F475 HydrophobicContact CZ-CE2 4.09Å; F396-F475 HydrophobicContact CZ-CZ 4.45Å |
| 397 | P | 95.7 | Very high | 96.8 | Very high | 23 Ų | 23 | 23.8 Ų | 23.8 | 15% | 0.149 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.4 | -41.1 | 170.7 | -26.7 | 38.2 | 0 | 0 | 0 | 113.5 | H394 W395 G401 Y402 V481 W493 C497 | H394-P397 WeakPolarHBondContact O-CD 3.41Å; W395-P397 VanDerWaalsContact C-CD 3.43Å; W395-P397 VanDerWaalsContact C-N 3.29Å; P397-G401 VanDerWaalsContact O-CA 3.25Å; P397-G401 WeakPolarHBondContact O-CA 3.45Å; P397-G401 PolarHBondContact O-N 2.93Å; P397-Y402 VanDerWaalsContact CA-O 3.27Å; P397-Y402 WeakPolarHBondContact CA-O 3.44Å; P397-V481 HydrophobicContact CB-CG2 3.6Å; P397-W493 HydrophobicContact CB-CZ3 4.33Å; P397-C497 WeakPolarHBondContact O-CB 3.37Å |
| 398 | L | 95.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 178.4 | -173.7 | 64.4 | 0 | 0 | 0 | 111.6 | L81 L84 W395 F396 E492 W493 P498 P499 | L81-L398 HydrophobicContact CD2-CD2 3.72Å; L84-L398 HydrophobicContact CD1-CD2 4.17Å; W395-L398 HydrophobicContact CB-CB 4.39Å; W395-L398 WeakPolarHBondContact O-CA 3.37Å; W395-L398 VanDerWaalsContact O-CB 3.23Å; W395-L398 WeakPolarHBondContact O-CB 3.43Å; W395-L398 PolarHBondContact O-N 3.39Å; F396-L398 VanDerWaalsContact C-N 3.31Å; F396-L398 PolarHBondContact O-N 2.7Å; L398-E492 WeakPolarHBondContact CD1-O 3.43Å; L398-E492 HydrophobicContact CD2-CB 4.14Å; L398-E492 HydrophobicContact CD2-CG 4.19Å; L398-W493 HydrophobicContact CB-CE3 4.21Å; L398-W493 HydrophobicContact CB-CH2 3.79Å; L398-W493 HydrophobicContact CB-CZ3 3.54Å; L398-W493 HydrophobicContact CD1-CE3 3.98Å; L398-W493 HydrophobicContact CD1-CZ3 4.18Å; L398-W493 HydrophobicContact CG-CZ3 4.37Å; L398-P498 WeakPolarHBondContact O-CA 3.3Å; L398-P499 HydrophobicContact CD1-CG 4.4Å; L398-P499 WeakPolarHBondContact O-CD 3.25Å |
| 399 | F | 96.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 13% | 0.127 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75.1 | -37.5 | -175.8 | -53.3 | -30.3 | 0 | 0 | 0 | 112.8 | L19 F77 W80 L81 W395 F396 | L19-F399 HydrophobicContact CD1-CD2 4.11Å; L19-F399 HydrophobicContact CD1-CE2 4.08Å; F77-F399 HydrophobicContact CD1-CE2 4.21Å; F77-F399 AromaticContact CD1-CZ 3.79Å; F77-F399 HydrophobicContact CD1-CZ 3.79Å; F77-F399 AromaticContact CE1-CE2 3.71Å; F77-F399 HydrophobicContact CE1-CE2 3.71Å; F77-F399 AromaticContact CE1-CZ 3.72Å; F77-F399 HydrophobicContact CE1-CZ 3.72Å; W80-F399 HydrophobicContact CB-CD1 4.46Å; W80-F399 HydrophobicContact CB-CE1 3.78Å; W80-F399 HydrophobicContact CB-CZ 4.42Å; W80-F399 AromaticContact CD2-CD1 3.58Å; W80-F399 HydrophobicContact CD2-CD1 3.58Å; W80-F399 AromaticContact CD2-CE1 3.82Å; W80-F399 HydrophobicContact CD2-CE1 3.82Å; W80-F399 AromaticContact CE2-CD1 3.89Å; W80-F399 AromaticContact CE3-CD1 3.75Å; W80-F399 HydrophobicContact CE3-CD1 3.75Å; W80-F399 HydrophobicContact CE3-CE1 4.07Å; W80-F399 AromaticContact CG-CD1 3.92Å; W80-F399 HydrophobicContact CG-CD1 3.92Å; W80-F399 AromaticContact CG-CE1 3.7Å; W80-F399 HydrophobicContact CG-CE1 3.7Å; W80-F399 HydrophobicContact CG-CZ 4.48Å; W80-F399 HydrophobicContact CH2-CD1 4.43Å; W80-F399 HydrophobicContact CZ2-CB 4.46Å; W80-F399 HydrophobicContact CZ2-CD1 4.31Å; W80-F399 HydrophobicContact CZ3-CD1 4.17Å; L81-F399 HydrophobicContact CD2-CE1 4.22Å; W395-F399 HydrophobicContact CB-CD2 4.39Å; W395-F399 HydrophobicContact CB-CE1 3.89Å; W395-F399 HydrophobicContact CB-CE2 3.7Å; W395-F399 HydrophobicContact CB-CZ 3.41Å; W395-F399 VanDerWaalsContact CB-CZ 3.41Å; W395-F399 HydrophobicContact CG-CZ 4.28Å; W395-F399 WeakPolarHBondContact O-CD2 3.21Å; W395-F399 WeakPolarHBondContact O-CG 3.31Å; W395-F399 PolarHBondContact O-N 2.99Å; F396-F399 PolarHBondContact O-N 3.12Å |
| 400 | S | 96 | Very high | 96.8 | Very high | 21 Ų | 21 | 30 Ų | 30 | 15% | 0.147 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -110.8 | -21.9 | -168.4 | 70.5 | 0 | 0 | 0 | 0 | 114.9 | F396 Y402 | F396-S400 WeakPolarHBondContact CE1-OG 3.44Å; F396-S400 WeakPolarHBondContact O-CB 3.41Å; F396-S400 PolarHBondContact O-N 3.1Å; F396-S400 PolarHBondContact O-OG 3.15Å; S400-Y402 PolarHBondContact O-N 3.48Å; S400-Y402 PolarHBondContact OG-N 3.13Å; S400-Y402 VanDerWaalsContact OG-N 3.07Å; S400-Y402 PolarHBondContact OG-O 3.4Å |
| 401 | G | 94.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 75 | 3.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115 | P397 V481 C497 | P397-G401 VanDerWaalsContact O-CA 3.25Å; P397-G401 WeakPolarHBondContact O-CA 3.45Å; P397-G401 PolarHBondContact O-N 2.93Å; G401-V481 PolarHBondContact O-N 3.45Å; G401-C497 VanDerWaalsContact CA-O 3.3Å; G401-C497 WeakPolarHBondContact CA-O 3.47Å |
| 402 | Y | 95.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -116.6 | 159.3 | -179.8 | -58 | -58.5 | 0 | 0 | 0 | 112.7 | F396 P397 S400 F475 K478 R479 K480 | F396-Y402 VanDerWaalsContact CD1-O 3.3Å; F396-Y402 WeakPolarHBondContact CD1-O 3.24Å; P397-Y402 VanDerWaalsContact CA-O 3.27Å; P397-Y402 WeakPolarHBondContact CA-O 3.44Å; S400-Y402 PolarHBondContact O-N 3.48Å; S400-Y402 PolarHBondContact OG-N 3.13Å; S400-Y402 VanDerWaalsContact OG-N 3.07Å; S400-Y402 PolarHBondContact OG-O 3.4Å; Y402-F475 AromaticContact CD2-CD1 3.63Å; Y402-F475 HydrophobicContact CD2-CD1 3.63Å; Y402-F475 AromaticContact CD2-CE1 3.67Å; Y402-F475 HydrophobicContact CD2-CE1 3.67Å; Y402-F475 AromaticContact CE2-CD1 3.56Å; Y402-F475 HydrophobicContact CE2-CD1 3.56Å; Y402-F475 AromaticContact CE2-CE1 3.75Å; Y402-F475 HydrophobicContact CE2-CE1 3.75Å; Y402-K478 HydrophobicContact CD1-CB 4.36Å; Y402-K478 HydrophobicContact CE1-CB 3.73Å; Y402-K478 HydrophobicContact CE1-CG 4.22Å; Y402-R479 CarbonylContact C-O 3.48Å; Y402-R479 WeakPolarHBondContact CA-O 3.28Å; Y402-K480 HydrophobicContact CD1-CG 4.33Å; Y402-K480 HydrophobicContact CE1-CG 4.15Å |
| 403 | T | 95 | Very high | 96.8 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 28% | 0.282 | 17% | 0.166 | S | C | . | . | trans | -107.4 | 137.5 | 177.3 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | R479 V481 | T403-R479 PolarHBondContact N-O 2.91Å; T403-R479 PolarHBondContact O-NE 3.02Å; T403-R479 PolarHBondContact O-NH2 3.32Å; T403-R479 VanDerWaalsContact O-NH2 3.15Å; T403-R479 WeakPolarHBondContact OG1-CB 3.31Å; T403-R479 PolarHBondContact OG1-O 3.33Å; T403-V481 HydrophobicContact CG2-CG2 3.94Å | ||
| 404 | L | 95.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | trans | -73.7 | 142.2 | 168.6 | -62 | 173.7 | 0 | 0 | 0 | 109.7 | F392 I393 F396 Q406 M470 A474 | F392-L404 HydrophobicContact CE1-CD1 4.32Å; I393-L404 HydrophobicContact CB-CD1 4.45Å; I393-L404 HydrophobicContact CG1-CD1 3.91Å; F396-L404 HydrophobicContact CB-CD1 4.23Å; F396-L404 HydrophobicContact CB-CG 4.44Å; F396-L404 HydrophobicContact CD1-CD1 4.24Å; F396-L404 HydrophobicContact CD1-CD2 3.82Å; F396-L404 HydrophobicContact CD1-CG 3.57Å; F396-L404 HydrophobicContact CE1-CD2 3.61Å; F396-L404 HydrophobicContact CE1-CG 3.89Å; F396-L404 HydrophobicContact CE2-CD2 4.36Å; F396-L404 HydrophobicContact CG-CD1 4.16Å; F396-L404 HydrophobicContact CG-CD2 4.27Å; F396-L404 HydrophobicContact CG-CG 3.99Å; F396-L404 HydrophobicContact CZ-CD2 3.9Å; L404-Q406 PolarHBondContact O-N 3.4Å; L404-M470 HydrophobicContact CB-CE 4.3Å; L404-M470 HydrophobicContact CD1-CE 3.99Å; L404-M470 HydrophobicContact CD2-CB 4.42Å; L404-M470 HydrophobicContact CD2-CE 4.39Å; L404-M470 HydrophobicContact CG-CE 4.46Å; L404-A474 HydrophobicContact CD2-CB 3.93Å | ||
| 405 | D | 96.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | trans | -63.9 | 125.6 | 171.1 | -177 | -84.5 | 0 | 0 | 0 | 110.2 | T407 Y408 A409 | D405-T407 VanDerWaalsContact C-N 3.3Å; D405-T407 PolarHBondContact O-N 3.22Å; D405-T407 VanDerWaalsContact OD1-CA 3.29Å; D405-T407 WeakPolarHBondContact OD1-CA 3.5Å; D405-T407 WeakPolarHBondContact OD1-CB 3.35Å; D405-T407 PolarHBondContact OD1-N 3.07Å; D405-Y408 HydrophobicContact CB-CD2 3.68Å; D405-Y408 HydrophobicContact CB-CE2 4.38Å; D405-Y408 HydrophobicContact CB-CG 4.39Å; D405-Y408 PolarHBondContact OD1-N 3.05Å; D405-A409 VanDerWaalsContact O-CB 3.31Å; D405-A409 WeakPolarHBondContact O-CB 3.34Å; D405-A409 PolarHBondContact O-N 3.48Å | ||
| 406 | Q | 95.1 | Very high | 97 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 36% | 0.36 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -70 | -26.1 | -175.7 | -73.7 | -64.6 | -44.6 | 0 | 0 | 113 | L404 K410 | L404-Q406 PolarHBondContact O-N 3.4Å; Q406-K410 WeakPolarHBondContact O-CB 3.46Å; Q406-K410 WeakPolarHBondContact O-CG 3.25Å; Q406-K410 PolarHBondContact O-N 3.15Å |
| 407 | T | 97.4 | Very high | 97 | Very high | 90 Ų | 90 | 40.9 Ų | 40.9 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -69.9 | -51.8 | 177.2 | -50.8 | 0 | 0 | 0 | 0 | 109.4 | D405 A409 K410 I411 | D405-T407 VanDerWaalsContact C-N 3.3Å; D405-T407 PolarHBondContact O-N 3.22Å; D405-T407 VanDerWaalsContact OD1-CA 3.29Å; D405-T407 WeakPolarHBondContact OD1-CA 3.5Å; D405-T407 WeakPolarHBondContact OD1-CB 3.35Å; D405-T407 PolarHBondContact OD1-N 3.07Å; T407-A409 VanDerWaalsContact C-N 3.31Å; T407-A409 PolarHBondContact O-N 3.35Å; T407-K410 PolarHBondContact O-N 3.16Å; T407-I411 HydrophobicContact CG2-CD1 4.08Å; T407-I411 WeakPolarHBondContact O-CG1 3.36Å; T407-I411 PolarHBondContact O-N 3.31Å |
| 408 | Y | 97.9 | Very high | 97.2 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 176.1 | -63.1 | -43.7 | 0 | 0 | 0 | 112 | D405 K410 I411 H412 F469 | D405-Y408 HydrophobicContact CB-CD2 3.68Å; D405-Y408 HydrophobicContact CB-CE2 4.38Å; D405-Y408 HydrophobicContact CB-CG 4.39Å; D405-Y408 PolarHBondContact OD1-N 3.05Å; Y408-K410 VanDerWaalsContact C-N 3.34Å; Y408-K410 PolarHBondContact O-N 2.9Å; Y408-I411 PolarHBondContact O-N 2.87Å; Y408-H412 WeakPolarHBondContact O-CB 3.32Å; Y408-H412 PolarHBondContact O-N 3.34Å; Y408-F469 HydrophobicContact CD2-CE1 4.17Å; Y408-F469 HydrophobicContact CE2-CE1 4.02Å |
| 409 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | A335 D405 T407 F413 M470 | A335-A409 HydrophobicContact CB-CB 3.46Å; A335-A409 VanDerWaalsContact CB-CB 3.46Å; D405-A409 VanDerWaalsContact O-CB 3.31Å; D405-A409 WeakPolarHBondContact O-CB 3.34Å; D405-A409 PolarHBondContact O-N 3.48Å; T407-A409 VanDerWaalsContact C-N 3.31Å; T407-A409 PolarHBondContact O-N 3.35Å; A409-F413 PolarHBondContact O-N 3.25Å; A409-F413 VanDerWaalsContact O-N 3.13Å; A409-M470 VanDerWaalsContact CA-CE 3.49Å; A409-M470 HydrophobicContact CB-CE 3.59Å |
| 410 | K | 98.6 | Very high | 97.3 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.8 | -42.1 | 174.1 | -73.3 | 175.1 | -179.8 | -176.4 | 0 | 111.7 | W333 A335 L338 Q406 T407 Y408 H412 F413 T414 | W333-K410 WeakPolarHBondContact O-CE 3.33Å; W333-K410 PolarHBondContact O-NZ 3.13Å; A335-K410 HydrophobicContact CB-CG 4.18Å; L338-K410 HydrophobicContact CD1-CB 4.34Å; L338-K410 HydrophobicContact CD1-CG 3.84Å; Q406-K410 WeakPolarHBondContact O-CB 3.46Å; Q406-K410 WeakPolarHBondContact O-CG 3.25Å; Q406-K410 PolarHBondContact O-N 3.15Å; T407-K410 PolarHBondContact O-N 3.16Å; Y408-K410 VanDerWaalsContact C-N 3.34Å; Y408-K410 PolarHBondContact O-N 2.9Å; K410-H412 VanDerWaalsContact C-N 3.32Å; K410-H412 PolarHBondContact O-N 3.36Å; K410-F413 WeakPolarHBondContact O-CB 3.41Å; K410-F413 PolarHBondContact O-N 3.38Å; K410-T414 PolarHBondContact O-N 2.8Å; K410-T414 PolarHBondContact O-OG1 3.12Å |
| 411 | I | 98.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 43 Ų | 43 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 174.6 | -67 | 166.6 | 0 | 0 | 0 | 110.2 | T407 Y408 F413 T414 I415 L466 | T407-I411 HydrophobicContact CG2-CD1 4.08Å; T407-I411 WeakPolarHBondContact O-CG1 3.36Å; T407-I411 PolarHBondContact O-N 3.31Å; Y408-I411 PolarHBondContact O-N 2.87Å; I411-F413 VanDerWaalsContact C-N 3.35Å; I411-F413 PolarHBondContact O-N 3.29Å; I411-T414 PolarHBondContact O-N 2.95Å; I411-T414 VanDerWaalsContact O-N 3.14Å; I411-I415 HydrophobicContact CG2-CD1 3.64Å; I411-I415 HydrophobicContact CG2-CG1 4.19Å; I411-I415 WeakPolarHBondContact O-CG1 2.98Å; I411-I415 PolarHBondContact O-N 2.9Å; I411-L466 HydrophobicContact CB-CD2 4.34Å; I411-L466 HydrophobicContact CG2-CD2 3.8Å |
| 412 | H | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 176.3 | 174.6 | -116.7 | 0 | 0 | 0 | 112.1 | W339 Y408 K410 M416 A463 L466 M467 M470 | W339-H412 AromaticContact CH2-CE1 3.88Å; W339-H412 AromaticContact CZ2-CE1 3.44Å; W339-H412 VanDerWaalsContact CZ2-CE1 3.44Å; W339-H412 WeakPolarHBondContact CZ2-CE1 3.49Å; W339-H412 AromaticContact CZ2-ND1 3.42Å; W339-H412 WeakPolarHBondContact CZ2-ND1 3.05Å; Y408-H412 WeakPolarHBondContact O-CB 3.32Å; Y408-H412 PolarHBondContact O-N 3.34Å; K410-H412 VanDerWaalsContact C-N 3.32Å; K410-H412 PolarHBondContact O-N 3.36Å; H412-M416 WeakPolarHBondContact O-CB 3.14Å; H412-M416 PolarHBondContact O-N 3.33Å; H412-A463 PolarHBondContact CD2-O 3.34Å; H412-A463 PolarHBondContact NE2-O 3.4Å; H412-L466 HydrophobicContact CB-CD2 3.8Å; H412-L466 HydrophobicContact CB-CG 4.19Å; H412-M467 VanDerWaalsContact CE1-CE 3.47Å; H412-M467 WeakPolarHBondContact CE1-CE 3.47Å; H412-M470 HydrophobicContact CB-SD 3.66Å |
| 413 | F | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 10% | 0.101 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.8 | -51.1 | 172.6 | 168.9 | -99.3 | 0 | 0 | 0 | 112 | L338 W339 F386 A409 K410 I411 I415 M416 F417 | L338-F413 VanDerWaalsContact C-CE2 3.49Å; L338-F413 HydrophobicContact CB-CD1 3.65Å; L338-F413 HydrophobicContact CB-CD2 4.1Å; L338-F413 HydrophobicContact CB-CE1 3.76Å; L338-F413 HydrophobicContact CB-CE2 4.19Å; L338-F413 HydrophobicContact CB-CG 3.81Å; L338-F413 HydrophobicContact CB-CZ 4.03Å; L338-F413 HydrophobicContact CD1-CD1 3.86Å; L338-F413 HydrophobicContact CD1-CE1 4.36Å; L338-F413 HydrophobicContact CD1-CG 4.46Å; L338-F413 HydrophobicContact CG-CD1 4.34Å; L338-F413 WeakPolarHBondContact O-CE2 3.35Å; L338-F413 WeakPolarHBondContact O-CZ 3.2Å; W339-F413 HydrophobicContact CD2-CB 4.5Å; W339-F413 AromaticContact CD2-CD2 3.69Å; W339-F413 HydrophobicContact CD2-CD2 3.69Å; W339-F413 AromaticContact CE2-CD2 3.83Å; W339-F413 AromaticContact CE3-CD2 3.99Å; W339-F413 HydrophobicContact CE3-CD2 3.99Å; W339-F413 AromaticContact CG-CD2 3.99Å; W339-F413 HydrophobicContact CG-CD2 3.99Å; W339-F413 HydrophobicContact CZ2-CB 3.97Å; W339-F413 HydrophobicContact CZ2-CD2 4.26Å; W339-F413 HydrophobicContact CZ3-CD2 4.43Å; F386-F413 HydrophobicContact CE1-CE2 4.07Å; A409-F413 PolarHBondContact O-N 3.25Å; A409-F413 VanDerWaalsContact O-N 3.13Å; K410-F413 WeakPolarHBondContact O-CB 3.41Å; K410-F413 PolarHBondContact O-N 3.38Å; I411-F413 VanDerWaalsContact C-N 3.35Å; I411-F413 PolarHBondContact O-N 3.29Å; F413-I415 PolarHBondContact O-N 3.12Å; F413-M416 PolarHBondContact O-N 3.45Å; F413-F417 HydrophobicContact CE1-CB 4.4Å; F413-F417 HydrophobicContact CE2-CB 4.3Å; F413-F417 HydrophobicContact CE2-CD2 4.15Å; F413-F417 HydrophobicContact CZ-CB 4.15Å; F413-F417 AromaticContact CZ-CD2 3.84Å; F413-F417 HydrophobicContact CZ-CD2 3.84Å; F413-F417 HydrophobicContact CZ-CG 4.11Å; F413-F417 WeakPolarHBondContact O-CB 3.39Å; F413-F417 PolarHBondContact O-N 3.36Å |
| 414 | T | 98.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 42 Ų | 42 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -45.6 | -176.1 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | K410 I411 F417 I418 | K410-T414 PolarHBondContact O-N 2.8Å; K410-T414 PolarHBondContact O-OG1 3.12Å; I411-T414 PolarHBondContact O-N 2.95Å; I411-T414 VanDerWaalsContact O-N 3.14Å; T414-F417 PolarHBondContact O-N 2.95Å; T414-I418 HydrophobicContact CG2-CD1 3.93Å; T414-I418 WeakPolarHBondContact O-CG1 3.43Å; T414-I418 PolarHBondContact O-N 2.79Å |
| 415 | I | 98.5 | Very high | 97.9 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 178.5 | -64.2 | 173.7 | 0 | 0 | 0 | 110.1 | I411 F413 F417 I418 G419 I459 T462 A463 L466 | I411-I415 HydrophobicContact CG2-CD1 3.64Å; I411-I415 HydrophobicContact CG2-CG1 4.19Å; I411-I415 WeakPolarHBondContact O-CG1 2.98Å; I411-I415 PolarHBondContact O-N 2.9Å; F413-I415 PolarHBondContact O-N 3.12Å; I415-F417 PolarHBondContact O-N 2.85Å; I415-I418 PolarHBondContact O-N 2.96Å; I415-G419 PolarHBondContact O-N 3.16Å; I415-I459 HydrophobicContact CG2-CG2 3.86Å; I415-T462 WeakPolarHBondContact CG2-OG1 3.25Å; I415-A463 HydrophobicContact CB-CB 4.23Å; I415-A463 HydrophobicContact CG2-CB 3.84Å; I415-L466 HydrophobicContact CD1-CD2 4.09Å |
| 416 | M | 98 | Very high | 98 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 179.1 | -174.1 | 63.1 | 81.2 | 0 | 0 | 111.2 | W339 F386 H412 F413 I418 G419 V420 A463 V464 | W339-M416 HydrophobicContact CH2-CB 3.67Å; W339-M416 HydrophobicContact CH2-CG 3.73Å; W339-M416 HydrophobicContact CZ2-CB 4.46Å; W339-M416 HydrophobicContact CZ3-CB 4.43Å; W339-M416 HydrophobicContact CZ3-CG 4.14Å; F386-M416 HydrophobicContact CE2-CG 4.21Å; F386-M416 HydrophobicContact CZ-CG 4.43Å; H412-M416 WeakPolarHBondContact O-CB 3.14Å; H412-M416 PolarHBondContact O-N 3.33Å; F413-M416 PolarHBondContact O-N 3.45Å; M416-I418 VanDerWaalsContact C-N 3.33Å; M416-I418 PolarHBondContact O-N 2.8Å; M416-G419 PolarHBondContact O-N 3.47Å; M416-V420 HydrophobicContact CG-CG1 4.07Å; M416-V420 WeakPolarHBondContact O-CG1 3.47Å; M416-V420 VanDerWaalsContact O-CG2 3.31Å; M416-V420 WeakPolarHBondContact O-CG2 3.18Å; M416-V420 PolarHBondContact O-N 2.7Å; M416-V420 HydrophobicContact SD-CG1 3.64Å; M416-A463 HydrophobicContact CB-CB 3.83Å; M416-A463 HydrophobicContact CE-CB 3.71Å; M416-A463 HydrophobicContact SD-CB 4.2Å; M416-V464 HydrophobicContact CE-CG2 4.14Å |
| 417 | F | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 25% | 0.254 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.6 | -44.3 | -178.9 | -176.9 | -91.8 | 0 | 0 | 0 | 112.1 | F345 L346 F386 F413 T414 I415 N421 | F345-F417 HydrophobicContact CD1-CE2 4.33Å; F345-F417 HydrophobicContact CD1-CZ 4.14Å; F345-F417 HydrophobicContact CE1-CZ 4.33Å; L346-F417 HydrophobicContact CD1-CD2 3.74Å; L346-F417 HydrophobicContact CD1-CE2 3.57Å; L346-F417 HydrophobicContact CD2-CE2 4.09Å; L346-F417 HydrophobicContact CD2-CZ 4.41Å; L346-F417 HydrophobicContact CG-CE2 3.91Å; F386-F417 HydrophobicContact CE1-CD2 4.08Å; F386-F417 HydrophobicContact CZ-CD2 4.4Å; F413-F417 HydrophobicContact CE1-CB 4.4Å; F413-F417 HydrophobicContact CE2-CB 4.3Å; F413-F417 HydrophobicContact CE2-CD2 4.15Å; F413-F417 HydrophobicContact CZ-CB 4.15Å; F413-F417 AromaticContact CZ-CD2 3.84Å; F413-F417 HydrophobicContact CZ-CD2 3.84Å; F413-F417 HydrophobicContact CZ-CG 4.11Å; F413-F417 WeakPolarHBondContact O-CB 3.39Å; F413-F417 PolarHBondContact O-N 3.36Å; T414-F417 PolarHBondContact O-N 2.95Å; I415-F417 PolarHBondContact O-N 2.85Å; F417-N421 PolarHBondContact O-N 3.48Å; F417-N421 PolarHBondContact O-ND2 3.21Å |
| 418 | I | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 37.1 Ų | 37.1 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.3 | -48.6 | 175.8 | -67.4 | 169.3 | 0 | 0 | 0 | 110.4 | T414 I415 M416 V420 N421 L422 | T414-I418 HydrophobicContact CG2-CD1 3.93Å; T414-I418 WeakPolarHBondContact O-CG1 3.43Å; T414-I418 PolarHBondContact O-N 2.79Å; I415-I418 PolarHBondContact O-N 2.96Å; M416-I418 VanDerWaalsContact C-N 3.33Å; M416-I418 PolarHBondContact O-N 2.8Å; I418-V420 PolarHBondContact O-N 2.82Å; I418-N421 PolarHBondContact O-N 2.88Å; I418-L422 HydrophobicContact CG2-CD1 3.77Å; I418-L422 HydrophobicContact CG2-CG 4.29Å; I418-L422 WeakPolarHBondContact O-CB 3.41Å; I418-L422 WeakPolarHBondContact O-CG 3.22Å; I418-L422 PolarHBondContact O-N 3.39Å |
| 419 | G | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I415 M416 N421 L422 T423 G456 S460 | I415-G419 PolarHBondContact O-N 3.16Å; M416-G419 PolarHBondContact O-N 3.47Å; G419-N421 PolarHBondContact O-N 3.45Å; G419-L422 PolarHBondContact O-N 3.2Å; G419-T423 WeakPolarHBondContact O-CB 3.27Å; G419-T423 PolarHBondContact O-N 3.27Å; G419-T423 PolarHBondContact O-OG1 2.61Å; G419-G456 CarbonylContact C-O 3.41Å; G419-G456 WeakPolarHBondContact CA-O 3.42Å; G419-G456 CarbonylContact O-C 3.6Å; G419-G456 WeakPolarHBondContact O-CA 3.4Å; G419-S460 VanDerWaalsContact C-OG 3.29Å |
| 420 | V | 97.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -36.7 | -179 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | M382 F386 M416 I418 T423 F424 S460 | M382-V420 HydrophobicContact CG-CB 4.19Å; M382-V420 HydrophobicContact CG-CG2 3.75Å; M382-V420 HydrophobicContact SD-CB 4.16Å; M382-V420 HydrophobicContact SD-CG2 3.64Å; F386-V420 HydrophobicContact CE2-CG2 4.03Å; F386-V420 HydrophobicContact CZ-CG2 3.94Å; M416-V420 HydrophobicContact CG-CG1 4.07Å; M416-V420 WeakPolarHBondContact O-CG1 3.47Å; M416-V420 VanDerWaalsContact O-CG2 3.31Å; M416-V420 WeakPolarHBondContact O-CG2 3.18Å; M416-V420 PolarHBondContact O-N 2.7Å; M416-V420 HydrophobicContact SD-CG1 3.64Å; I418-V420 PolarHBondContact O-N 2.82Å; V420-T423 PolarHBondContact O-N 2.69Å; V420-F424 HydrophobicContact CB-CD2 4.2Å; V420-F424 HydrophobicContact CB-CE2 4.31Å; V420-F424 WeakPolarHBondContact O-CD2 3.44Å; V420-F424 PolarHBondContact O-N 3.18Å; V420-S460 PolarHBondContact N-OG 3.13Å |
| 421 | N | 97.9 | Very high | 98.3 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.5 | -42.6 | 176.6 | -82.3 | -81.5 | 0 | 0 | 0 | 111.1 | L346 Y378 F417 I418 G419 T423 F425 | L346-N421 WeakPolarHBondContact CD2-ND2 3.27Å; L346-N421 VanDerWaalsContact CD2-OD1 3.24Å; L346-N421 WeakPolarHBondContact CD2-OD1 3.46Å; Y378-N421 PolarHBondContact OH-OD1 2.94Å; F417-N421 PolarHBondContact O-N 3.48Å; F417-N421 PolarHBondContact O-ND2 3.21Å; I418-N421 PolarHBondContact O-N 2.88Å; G419-N421 PolarHBondContact O-N 3.45Å; N421-T423 PolarHBondContact O-N 3.29Å; N421-F425 WeakPolarHBondContact O-CB 3.1Å; N421-F425 PolarHBondContact O-N 3.27Å |
| 422 | L | 97.8 | Very high | 98.2 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 29% | 0.293 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.8 | -30.8 | 172.8 | -71.4 | 178.9 | 0 | 0 | 0 | 112.1 | I418 G419 P426 L452 S453 I459 | I418-L422 HydrophobicContact CG2-CD1 3.77Å; I418-L422 HydrophobicContact CG2-CG 4.29Å; I418-L422 WeakPolarHBondContact O-CB 3.41Å; I418-L422 WeakPolarHBondContact O-CG 3.22Å; I418-L422 PolarHBondContact O-N 3.39Å; G419-L422 PolarHBondContact O-N 3.2Å; L422-P426 WeakPolarHBondContact O-CD 3.17Å; L422-P426 VanDerWaalsContact O-CG 3.23Å; L422-P426 WeakPolarHBondContact O-CG 3.39Å; L422-L452 HydrophobicContact CD2-CD1 4.05Å; L422-L452 HydrophobicContact CD2-CG 4.4Å; L422-S453 WeakPolarHBondContact O-CA 3.23Å; L422-I459 HydrophobicContact CD1-CD1 3.74Å |
| 423 | T | 98.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.6 | -57 | 176 | -53 | 0 | 0 | 0 | 0 | 111.6 | G419 V420 N421 Q427 S453 G456 S457 | G419-T423 WeakPolarHBondContact O-CB 3.27Å; G419-T423 PolarHBondContact O-N 3.27Å; G419-T423 PolarHBondContact O-OG1 2.61Å; V420-T423 PolarHBondContact O-N 2.69Å; N421-T423 PolarHBondContact O-N 3.29Å; T423-Q427 PolarHBondContact O-NE2 2.84Å; T423-S453 WeakPolarHBondContact CA-O 3.29Å; T423-S453 VanDerWaalsContact O-CB 3.26Å; T423-S453 WeakPolarHBondContact O-CB 3.47Å; T423-S453 PolarHBondContact O-OG 2.88Å; T423-G456 WeakPolarHBondContact OG1-CA 3.3Å; T423-G456 PolarHBondContact OG1-O 3.15Å; T423-S457 WeakPolarHBondContact OG1-CA 3.41Å; T423-S457 PolarHBondContact OG1-N 3.29Å |
| 424 | F | 98.4 | Very high | 98.1 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 10% | 0.101 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -99.5 | -24.4 | -163.8 | -59.4 | -60.9 | 0 | 0 | 0 | 113.8 | H377 Y378 M382 V420 Q427 | H377-F424 HydrophobicContact CB-CB 4.47Å; H377-F424 HydrophobicContact CB-CD1 3.44Å; H377-F424 VanDerWaalsContact CB-CD1 3.44Å; H377-F424 HydrophobicContact CB-CD2 4.01Å; H377-F424 HydrophobicContact CB-CE1 3.51Å; H377-F424 HydrophobicContact CB-CE2 4.06Å; H377-F424 HydrophobicContact CB-CG 3.71Å; H377-F424 HydrophobicContact CB-CZ 3.83Å; H377-F424 AromaticContact CD2-CE1 3.21Å; H377-F424 WeakPolarHBondContact CD2-CE1 3.26Å; H377-F424 AromaticContact CD2-CZ 3.33Å; H377-F424 WeakPolarHBondContact CD2-CZ 3.27Å; H377-F424 AromaticContact CG-CD1 3.7Å; H377-F424 AromaticContact CG-CE1 3.33Å; H377-F424 AromaticContact CG-CZ 3.78Å; H377-F424 AromaticContact NE2-CE1 3.95Å; Y378-F424 HydrophobicContact CD2-CB 4.01Å; Y378-F424 HydrophobicContact CE2-CB 3.65Å; M382-F424 HydrophobicContact CE-CB 3.85Å; M382-F424 HydrophobicContact CE-CD2 3.58Å; M382-F424 HydrophobicContact CE-CG 4.1Å; V420-F424 HydrophobicContact CB-CD2 4.2Å; V420-F424 HydrophobicContact CB-CE2 4.31Å; V420-F424 WeakPolarHBondContact O-CD2 3.44Å; V420-F424 PolarHBondContact O-N 3.18Å; F424-Q427 WeakPolarHBondContact O-CB 3.36Å; F424-Q427 PolarHBondContact O-N 3.01Å |
| 425 | F | 98.2 | Very high | 98.1 | Very high | 98 Ų | 98 | 34.9 Ų | 34.9 | 43% | 0.43 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 177.9 | -164.3 | -105.3 | 0 | 0 | 0 | 111.9 | Y378 N421 Q427 H428 F429 | Y378-F425 WeakPolarHBondContact OH-CB 3.48Å; N421-F425 WeakPolarHBondContact O-CB 3.1Å; N421-F425 PolarHBondContact O-N 3.27Å; F425-Q427 PolarHBondContact O-N 2.89Å; F425-Q427 VanDerWaalsContact O-N 3.15Å; F425-H428 PolarHBondContact O-N 3.33Å; F425-H428 VanDerWaalsContact O-N 3.16Å; F425-H428 PolarHBondContact O-ND1 2.9Å; F425-F429 AromaticContact CD1-CE2 3.91Å; F425-F429 HydrophobicContact CD1-CE2 3.91Å; F425-F429 HydrophobicContact CD1-CZ 4.37Å; F425-F429 AromaticContact CE1-CE2 3.7Å; F425-F429 HydrophobicContact CE1-CE2 3.7Å; F425-F429 AromaticContact CE1-CZ 3.71Å; F425-F429 HydrophobicContact CE1-CZ 3.71Å; F425-F429 HydrophobicContact CZ-CZ 4.32Å |
| 426 | P | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -25 | 177.2 | -26.2 | 38.5 | 0 | 0 | 0 | 114.2 | L422 H428 F429 L430 W449 L452 | L422-P426 WeakPolarHBondContact O-CD 3.17Å; L422-P426 VanDerWaalsContact O-CG 3.23Å; L422-P426 WeakPolarHBondContact O-CG 3.39Å; P426-H428 VanDerWaalsContact C-N 3.25Å; P426-H428 PolarHBondContact O-N 3.21Å; P426-F429 WeakPolarHBondContact O-CB 3.14Å; P426-F429 PolarHBondContact O-N 3.28Å; P426-L430 PolarHBondContact O-N 3.26Å; P426-L430 VanDerWaalsContact O-N 3.07Å; P426-W449 HydrophobicContact CB-CB 4.07Å; P426-W449 HydrophobicContact CB-CD2 4.39Å; P426-W449 HydrophobicContact CB-CE3 3.9Å; P426-W449 HydrophobicContact CG-CE3 4.48Å; P426-L452 HydrophobicContact CB-CD2 4.49Å; P426-L452 HydrophobicContact CG-CB 4.3Å; P426-L452 HydrophobicContact CG-CD2 3.66Å; P426-L452 HydrophobicContact CG-CG 3.96Å |
| 427 | Q | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.9 | -24.5 | -179.8 | -64.9 | -177.6 | 7.4 | 0 | 0 | 112.8 | Y370 A374 T423 F424 F425 F429 L430 G431 S453 | Y370-Q427 CarbonylContact C-O 3.41Å; Y370-Q427 WeakPolarHBondContact CB-O 3.46Å; Y370-Q427 HydrophobicContact CD1-CB 4.04Å; Y370-Q427 HydrophobicContact CD1-CG 3.83Å; Y370-Q427 HydrophobicContact CE1-CG 4.41Å; A374-Q427 HydrophobicContact CB-CB 3.73Å; T423-Q427 PolarHBondContact O-NE2 2.84Å; F424-Q427 WeakPolarHBondContact O-CB 3.36Å; F424-Q427 PolarHBondContact O-N 3.01Å; F425-Q427 PolarHBondContact O-N 2.89Å; F425-Q427 VanDerWaalsContact O-N 3.15Å; Q427-F429 VanDerWaalsContact C-N 3.33Å; Q427-L430 HydrophobicContact CG-CD1 4.31Å; Q427-L430 PolarHBondContact O-N 3.24Å; Q427-G431 PolarHBondContact O-N 3.07Å; Q427-S453 PolarHBondContact NE2-OG 3.34Å |
| 428 | H | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 168.9 | -64 | 99.9 | 0 | 0 | 0 | 111.3 | Y371 A374 Y378 F425 P426 G431 L432 | Y371-H428 HydrophobicContact CD2-CB 4.16Å; Y371-H428 AromaticContact CD2-CD2 3.98Å; Y371-H428 HydrophobicContact CE2-CB 4.23Å; Y371-H428 AromaticContact CE2-CD2 3.83Å; A374-H428 WeakPolarHBondContact CB-NE2 3.46Å; Y378-H428 AromaticContact CD2-CE1 3.55Å; Y378-H428 AromaticContact CE2-CE1 3.56Å; F425-H428 PolarHBondContact O-N 3.33Å; F425-H428 VanDerWaalsContact O-N 3.16Å; F425-H428 PolarHBondContact O-ND1 2.9Å; P426-H428 VanDerWaalsContact C-N 3.25Å; P426-H428 PolarHBondContact O-N 3.21Å; H428-G431 PolarHBondContact O-N 2.89Å; H428-L432 WeakPolarHBondContact O-CB 3.45Å; H428-L432 VanDerWaalsContact O-CG 3.26Å; H428-L432 WeakPolarHBondContact O-CG 3.19Å; H428-L432 PolarHBondContact O-N 3.29Å |
| 429 | F | 98.4 | Very high | 97.8 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.2 | -40.9 | 176.8 | -57.3 | -55.3 | 0 | 0 | 0 | 111.5 | F425 P426 Q427 G431 L432 S433 W449 | F425-F429 AromaticContact CD1-CE2 3.91Å; F425-F429 HydrophobicContact CD1-CE2 3.91Å; F425-F429 HydrophobicContact CD1-CZ 4.37Å; F425-F429 AromaticContact CE1-CE2 3.7Å; F425-F429 HydrophobicContact CE1-CE2 3.7Å; F425-F429 AromaticContact CE1-CZ 3.71Å; F425-F429 HydrophobicContact CE1-CZ 3.71Å; F425-F429 HydrophobicContact CZ-CZ 4.32Å; P426-F429 WeakPolarHBondContact O-CB 3.14Å; P426-F429 PolarHBondContact O-N 3.28Å; Q427-F429 VanDerWaalsContact C-N 3.33Å; F429-G431 VanDerWaalsContact C-N 3.32Å; F429-G431 PolarHBondContact O-N 3.31Å; F429-L432 PolarHBondContact O-N 3.21Å; F429-S433 WeakPolarHBondContact O-CB 3.2Å; F429-S433 PolarHBondContact O-N 3.5Å; F429-S433 PolarHBondContact O-OG 2.95Å; F429-W449 HydrophobicContact CB-CD2 4.36Å; F429-W449 HydrophobicContact CB-CG 4.41Å; F429-W449 HydrophobicContact CB-CZ2 4.47Å; F429-W449 HydrophobicContact CD2-CD2 4.34Å; F429-W449 HydrophobicContact CD2-CE3 4.42Å; F429-W449 HydrophobicContact CD2-CH2 4.14Å; F429-W449 HydrophobicContact CD2-CZ2 4.04Å; F429-W449 HydrophobicContact CD2-CZ3 4.32Å; F429-W449 HydrophobicContact CE2-CH2 4.44Å; F429-W449 HydrophobicContact CG-CZ2 4.35Å |
| 430 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.5 | -49.1 | 172.1 | -71.2 | 174.4 | 0 | 0 | 0 | 111.2 | Y370 P426 Q427 S433 G434 M435 Y446 W449 | Y370-L430 HydrophobicContact CD1-CD1 4.37Å; Y370-L430 HydrophobicContact CG-CB 4.34Å; P426-L430 PolarHBondContact O-N 3.26Å; P426-L430 VanDerWaalsContact O-N 3.07Å; Q427-L430 HydrophobicContact CG-CD1 4.31Å; Q427-L430 PolarHBondContact O-N 3.24Å; L430-S433 WeakPolarHBondContact CA-OG 3.25Å; L430-S433 CarbonylContact O-C 3.59Å; L430-S433 PolarHBondContact O-N 2.92Å; L430-S433 PolarHBondContact O-OG 3.21Å; L430-G434 PolarHBondContact O-N 3.33Å; L430-M435 HydrophobicContact CB-CB 4.06Å; L430-M435 HydrophobicContact CB-SD 3.98Å; L430-M435 HydrophobicContact CD1-SD 3.79Å; L430-M435 HydrophobicContact CD2-SD 3.66Å; L430-M435 HydrophobicContact CG-SD 4.02Å; L430-M435 WeakPolarHBondContact O-CB 3.37Å; L430-M435 PolarHBondContact O-N 3.46Å; L430-Y446 HydrophobicContact CD2-CD1 3.94Å; L430-Y446 HydrophobicContact CD2-CG 4.12Å; L430-W449 HydrophobicContact CD1-CB 4.05Å; L430-W449 HydrophobicContact CD2-CB 3.58Å; L430-W449 HydrophobicContact CD2-CG 4.26Å; L430-W449 HydrophobicContact CG-CB 3.6Å; L430-W449 HydrophobicContact CG-CG 4.37Å |
| 431 | G | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y371 Q427 H428 F429 S433 G434 | Y371-G431 VanDerWaalsContact N-CA 3.35Å; Q427-G431 PolarHBondContact O-N 3.07Å; H428-G431 PolarHBondContact O-N 2.89Å; F429-G431 VanDerWaalsContact C-N 3.32Å; F429-G431 PolarHBondContact O-N 3.31Å; G431-S433 PolarHBondContact O-N 3.27Å; G431-G434 PolarHBondContact O-N 3.49Å |
| 432 | L | 97.8 | Very high | 97.5 | Very high | 110 Ų | 110 | 42 Ų | 42 | 58% | 0.576 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.4 | -29 | 175.4 | -72.1 | 169.9 | 0 | 0 | 0 | 112.5 | L366 Y371 H428 F429 G434 | L366-L432 HydrophobicContact CD2-CD2 4.05Å; Y371-L432 HydrophobicContact CD2-CD2 4.06Å; Y371-L432 HydrophobicContact CD2-CG 3.85Å; Y371-L432 HydrophobicContact CE2-CD1 4.31Å; Y371-L432 HydrophobicContact CE2-CD2 3.99Å; Y371-L432 HydrophobicContact CE2-CG 3.99Å; H428-L432 WeakPolarHBondContact O-CB 3.45Å; H428-L432 VanDerWaalsContact O-CG 3.26Å; H428-L432 WeakPolarHBondContact O-CG 3.19Å; H428-L432 PolarHBondContact O-N 3.29Å; F429-L432 PolarHBondContact O-N 3.21Å; L432-G434 VanDerWaalsContact C-N 3.27Å |
| 433 | S | 97.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 42% | 0.42 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.9 | 173.1 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | F429 L430 G431 Y446 | F429-S433 WeakPolarHBondContact O-CB 3.2Å; F429-S433 PolarHBondContact O-N 3.5Å; F429-S433 PolarHBondContact O-OG 2.95Å; L430-S433 WeakPolarHBondContact CA-OG 3.25Å; L430-S433 CarbonylContact O-C 3.59Å; L430-S433 PolarHBondContact O-N 2.92Å; L430-S433 PolarHBondContact O-OG 3.21Å; G431-S433 PolarHBondContact O-N 3.27Å; S433-Y446 PolarHBondContact O-OH 2.88Å; S433-Y446 WeakPolarHBondContact OG-CE1 3.42Å |
| 434 | G | 97.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 15.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L430 G431 L432 P436 | L430-G434 PolarHBondContact O-N 3.33Å; G431-G434 PolarHBondContact O-N 3.49Å; L432-G434 VanDerWaalsContact C-N 3.27Å; G434-P436 VanDerWaalsContact O-CD 3.3Å; G434-P436 WeakPolarHBondContact O-CD 3.27Å |
| 435 | M | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 118.9 | 177.2 | -174.4 | -177.5 | 178 | 0 | 0 | 110.1 | T369 Y370 L430 Y442 Y446 N450 | T369-M435 CarbonylContact C-O 3.58Å; T369-M435 VanDerWaalsContact CA-O 3.27Å; T369-M435 WeakPolarHBondContact CA-O 3.34Å; T369-M435 WeakPolarHBondContact CB-O 3.15Å; Y370-M435 HydrophobicContact CD2-CB 4.24Å; Y370-M435 HydrophobicContact CD2-CE 4.13Å; Y370-M435 HydrophobicContact CD2-CG 3.75Å; Y370-M435 HydrophobicContact CD2-SD 3.78Å; Y370-M435 HydrophobicContact CE2-CE 3.55Å; Y370-M435 HydrophobicContact CE2-CG 4.06Å; Y370-M435 HydrophobicContact CE2-SD 3.85Å; Y370-M435 HydrophobicContact CG-SD 4.26Å; Y370-M435 PolarHBondContact N-O 3.47Å; L430-M435 HydrophobicContact CB-CB 4.06Å; L430-M435 HydrophobicContact CB-SD 3.98Å; L430-M435 HydrophobicContact CD1-SD 3.79Å; L430-M435 HydrophobicContact CD2-SD 3.66Å; L430-M435 HydrophobicContact CG-SD 4.02Å; L430-M435 WeakPolarHBondContact O-CB 3.37Å; L430-M435 PolarHBondContact O-N 3.46Å; M435-Y442 HydrophobicContact CE-CD1 3.8Å; M435-Y442 HydrophobicContact CE-CG 3.86Å; M435-Y446 HydrophobicContact CB-CD1 4.09Å; M435-Y446 HydrophobicContact CB-CD2 4.16Å; M435-Y446 HydrophobicContact CB-CE1 3.99Å; M435-Y446 HydrophobicContact CB-CE2 4.03Å; M435-Y446 HydrophobicContact CB-CG 4.17Å; M435-Y446 HydrophobicContact CG-CD2 3.98Å; M435-Y446 HydrophobicContact CG-CE2 4.17Å; M435-Y446 HydrophobicContact CG-CG 4.19Å; M435-Y446 HydrophobicContact SD-CD2 4.4Å; M435-Y446 HydrophobicContact SD-CG 4.19Å; M435-N450 WeakPolarHBondContact CE-ND2 3.47Å; M435-N450 PolarHBondContact SD-ND2 2.89Å; M435-N450 VanDerWaalsContact SD-ND2 3.4Å |
| 436 | P | 97.7 | Very high | 97.3 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 152 | -178.8 | 33.2 | -36.4 | 0 | 0 | 0 | 111.7 | D368 Y370 G434 Y439 | D368-P436 CarbonylContact O-C 3.53Å; D368-P436 WeakPolarHBondContact O-CA 3.41Å; Y370-P436 WeakPolarHBondContact CD2-O 3.3Å; Y370-P436 VanDerWaalsContact CE2-O 3.24Å; Y370-P436 WeakPolarHBondContact CE2-O 3.4Å; G434-P436 VanDerWaalsContact O-CD 3.3Å; G434-P436 WeakPolarHBondContact O-CD 3.27Å; P436-Y439 HydrophobicContact CB-CD2 3.72Å; P436-Y439 HydrophobicContact CB-CE2 3.49Å; P436-Y439 VanDerWaalsContact CB-CE2 3.49Å; P436-Y439 HydrophobicContact CG-CD2 3.52Å; P436-Y439 HydrophobicContact CG-CE2 3.54Å; P436-Y439 HydrophobicContact CG-CG 4.1Å |
| 437 | R | 97.1 | Very high | 97.2 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -83.6 | 157.4 | 177.2 | 74.4 | -175.7 | -178.9 | 171.4 | -4.4 | 111.8 | D368 V373 Y439 | D368-R437 HydrophobicContact CB-CG 4.41Å; D368-R437 VanDerWaalsContact O-CG 3.32Å; D368-R437 WeakPolarHBondContact O-CG 3.32Å; D368-R437 PolarHBondContact O-N 2.96Å; D368-R437 IonicContact OD1-CZ 2.67Å; D368-R437 IonicContact OD1-NE 2.7Å; D368-R437 PolarHBondContact OD1-NE 2.85Å; D368-R437 IonicContact OD1-NH2 2.59Å; D368-R437 PolarHBondContact OD1-NH2 3.4Å; V373-R437 HydrophobicContact CG2-CB 3.84Å; R437-Y439 VanDerWaalsContact C-N 3.33Å; R437-Y439 VanDerWaalsContact O-CD2 3.25Å; R437-Y439 WeakPolarHBondContact O-CD2 3.44Å; R437-Y439 PolarHBondContact O-N 2.85Å |
| 438 | R | 95.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 64.2 | 30.3 | 177 | -53.9 | 171.8 | -175.2 | 176.8 | 1.5 | 114.7 | N54 V57 | N54-R438 PolarHBondContact OD1-O 3.42Å; V57-R438 HydrophobicContact CG1-CG 4.47Å |
| 439 | Y | 95.6 | Very high | 97.2 | Very high | 139 Ų | 139 | 59.3 Ų | 59.3 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | trans | -101.5 | 138.9 | 166.2 | -72.8 | -105.9 | 0 | 0 | 0 | 109 | Y53 P436 R437 D441 | Y53-Y439 VanDerWaalsContact CE1-C 3.41Å; Y53-Y439 VanDerWaalsContact CE1-O 3.22Å; Y53-Y439 WeakPolarHBondContact CE1-O 3.26Å; Y53-Y439 PolarHBondContact OH-O 3.06Å; P436-Y439 HydrophobicContact CB-CD2 3.72Å; P436-Y439 HydrophobicContact CB-CE2 3.49Å; P436-Y439 VanDerWaalsContact CB-CE2 3.49Å; P436-Y439 HydrophobicContact CG-CD2 3.52Å; P436-Y439 HydrophobicContact CG-CE2 3.54Å; P436-Y439 HydrophobicContact CG-CG 4.1Å; R437-Y439 VanDerWaalsContact C-N 3.33Å; R437-Y439 VanDerWaalsContact O-CD2 3.25Å; R437-Y439 WeakPolarHBondContact O-CD2 3.44Å; R437-Y439 PolarHBondContact O-N 2.85Å; Y439-D441 WeakPolarHBondContact CB-O 3.36Å | ||
| 440 | S | 95.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -77.8 | -27.3 | 175.5 | 42.2 | 0 | 0 | 0 | 0 | 112.4 | D50 | D50-S440 WeakPolarHBondContact CB-OG 3.45Å; D50-S440 WeakPolarHBondContact OD1-CB 3.42Å; D50-S440 PolarHBondContact OD1-OG 2.9Å |
| 441 | D | 96.5 | Very high | 97.1 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | trans | -130.9 | 162.7 | 179.3 | -164.4 | 9.2 | 0 | 0 | 0 | 111.1 | G44 Y439 | G44-D441 PolarHBondContact N-OD1 3.46Å; Y439-D441 WeakPolarHBondContact CB-O 3.36Å | ||
| 442 | Y | 96.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | trans | -151 | 152.8 | -175.8 | 58.3 | -98.4 | 0 | 0 | 0 | 113.5 | L40 Q42 P43 M435 N450 | L40-Y442 HydrophobicContact CB-CE1 4.14Å; L40-Y442 HydrophobicContact CD2-CD1 3.84Å; L40-Y442 HydrophobicContact CD2-CE1 4Å; L40-Y442 VanDerWaalsContact O-CE1 3.27Å; L40-Y442 WeakPolarHBondContact O-CE1 3.42Å; L40-Y442 PolarHBondContact O-OH 3.45Å; Q42-Y442 VanDerWaalsContact C-OH 3.27Å; Q42-Y442 VanDerWaalsContact CA-OH 3.31Å; Q42-Y442 WeakPolarHBondContact CA-OH 3.4Å; Q42-Y442 PolarHBondContact N-OH 2.82Å; P43-Y442 HydrophobicContact CB-CE2 4.5Å; P43-Y442 HydrophobicContact CG-CD2 4.36Å; P43-Y442 HydrophobicContact CG-CE2 3.77Å; M435-Y442 HydrophobicContact CE-CD1 3.8Å; M435-Y442 HydrophobicContact CE-CG 3.86Å; Y442-N450 HydrophobicContact CE1-CB 4.02Å; Y442-N450 HydrophobicContact CE2-CB 4.17Å; Y442-N450 VanDerWaalsContact OH-CB 3.25Å; Y442-N450 WeakPolarHBondContact OH-CB 3.44Å | ||
| 443 | P | 96.9 | Very high | 97.1 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | trans | -58.6 | 142.8 | 173.9 | -25.6 | 32.9 | 0 | 0 | 0 | 113.9 | A445 Y446 | P443-A445 PolarHBondContact O-N 3.3Å; P443-Y446 HydrophobicContact CB-CD2 4.28Å; P443-Y446 HydrophobicContact CB-CE2 4.35Å; P443-Y446 HydrophobicContact CG-CD2 4.31Å; P443-Y446 HydrophobicContact CG-CE2 4.09Å; P443-Y446 PolarHBondContact O-N 3.34Å | ||
| 444 | D | 95.9 | Very high | 97.2 | Very high | 125 Ų | 125 | 54.6 Ų | 54.6 | 67% | 0.668 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -50.6 | -26.7 | -177 | -62.5 | -0.9 | 0 | 0 | 0 | 114.8 | Y446 T447 | D444-Y446 PolarHBondContact O-N 3.03Å; D444-Y446 VanDerWaalsContact O-N 3.15Å; D444-T447 WeakPolarHBondContact CA-OG1 3.36Å; D444-T447 VanDerWaalsContact O-CB 3.25Å; D444-T447 WeakPolarHBondContact O-CB 3.37Å; D444-T447 PolarHBondContact O-N 3.19Å; D444-T447 VanDerWaalsContact O-N 3.1Å; D444-T447 PolarHBondContact O-OG1 3.21Å |
| 445 | A | 97.1 | Very high | 97.2 | Very high | 87 Ų | 87 | 56.1 Ų | 56.1 | 72% | 0.719 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -57.6 | -24.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P443 | P443-A445 PolarHBondContact O-N 3.3Š|
| 446 | Y | 97.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 15% | 0.153 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -93.3 | -2.6 | -179.6 | -58.1 | -50 | 0 | 0 | 0 | 113.9 | L430 S433 M435 P443 D444 T448 W449 N450 | L430-Y446 HydrophobicContact CD2-CD1 3.94Å; L430-Y446 HydrophobicContact CD2-CG 4.12Å; S433-Y446 PolarHBondContact O-OH 2.88Å; S433-Y446 WeakPolarHBondContact OG-CE1 3.42Å; M435-Y446 HydrophobicContact CB-CD1 4.09Å; M435-Y446 HydrophobicContact CB-CD2 4.16Å; M435-Y446 HydrophobicContact CB-CE1 3.99Å; M435-Y446 HydrophobicContact CB-CE2 4.03Å; M435-Y446 HydrophobicContact CB-CG 4.17Å; M435-Y446 HydrophobicContact CG-CD2 3.98Å; M435-Y446 HydrophobicContact CG-CE2 4.17Å; M435-Y446 HydrophobicContact CG-CG 4.19Å; M435-Y446 HydrophobicContact SD-CD2 4.4Å; M435-Y446 HydrophobicContact SD-CG 4.19Å; P443-Y446 HydrophobicContact CB-CD2 4.28Å; P443-Y446 HydrophobicContact CB-CE2 4.35Å; P443-Y446 HydrophobicContact CG-CD2 4.31Å; P443-Y446 HydrophobicContact CG-CE2 4.09Å; P443-Y446 PolarHBondContact O-N 3.34Å; D444-Y446 PolarHBondContact O-N 3.03Å; D444-Y446 VanDerWaalsContact O-N 3.15Å; Y446-T448 PolarHBondContact O-N 2.86Å; Y446-W449 PolarHBondContact O-N 2.81Å; Y446-N450 PolarHBondContact O-N 3.02Å; Y446-N450 PolarHBondContact O-ND2 2.99Å; Y446-N450 VanDerWaalsContact O-ND2 3.13Å |
| 447 | T | 97.3 | Very high | 97.3 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.172 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | -171.2 | -56 | 0 | 0 | 0 | 0 | 113.2 | P43 D444 W449 N450 I451 | P43-T447 HydrophobicContact CG-CG2 4.35Å; P43-T447 WeakPolarHBondContact CG-OG1 3.25Å; D444-T447 WeakPolarHBondContact CA-OG1 3.36Å; D444-T447 VanDerWaalsContact O-CB 3.25Å; D444-T447 WeakPolarHBondContact O-CB 3.37Å; D444-T447 PolarHBondContact O-N 3.19Å; D444-T447 VanDerWaalsContact O-N 3.1Å; D444-T447 PolarHBondContact O-OG1 3.21Å; T447-W449 VanDerWaalsContact C-N 3.34Å; T447-W449 PolarHBondContact O-N 2.92Å; T447-N450 PolarHBondContact O-N 3.14Å; T447-N450 VanDerWaalsContact O-N 3.15Å; T447-I451 HydrophobicContact CG2-CD1 3.57Å; T447-I451 HydrophobicContact CG2-CG1 4.1Å; T447-I451 WeakPolarHBondContact O-CG1 3.47Å; T447-I451 PolarHBondContact O-N 2.6Å |
| 448 | T | 97.4 | Very high | 97.3 | Very high | 104 Ų | 104 | 57 Ų | 57 | 64% | 0.638 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.7 | -46.8 | -175 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | Y446 L452 | Y446-T448 PolarHBondContact O-N 2.86Å; T448-L452 PolarHBondContact O-N 3.37Å |
| 449 | W | 98.2 | Very high | 97.4 | Very high | 98 Ų | 98 | 56 Ų | 56 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.7 | -31.3 | -179.1 | -62.4 | 130.9 | 0 | 0 | 0 | 112.6 | P426 F429 L430 Y446 T447 L452 S453 | P426-W449 HydrophobicContact CB-CB 4.07Å; P426-W449 HydrophobicContact CB-CD2 4.39Å; P426-W449 HydrophobicContact CB-CE3 3.9Å; P426-W449 HydrophobicContact CG-CE3 4.48Å; F429-W449 HydrophobicContact CB-CD2 4.36Å; F429-W449 HydrophobicContact CB-CG 4.41Å; F429-W449 HydrophobicContact CB-CZ2 4.47Å; F429-W449 HydrophobicContact CD2-CD2 4.34Å; F429-W449 HydrophobicContact CD2-CE3 4.42Å; F429-W449 HydrophobicContact CD2-CH2 4.14Å; F429-W449 HydrophobicContact CD2-CZ2 4.04Å; F429-W449 HydrophobicContact CD2-CZ3 4.32Å; F429-W449 HydrophobicContact CE2-CH2 4.44Å; F429-W449 HydrophobicContact CG-CZ2 4.35Å; L430-W449 HydrophobicContact CD1-CB 4.05Å; L430-W449 HydrophobicContact CD2-CB 3.58Å; L430-W449 HydrophobicContact CD2-CG 4.26Å; L430-W449 HydrophobicContact CG-CB 3.6Å; L430-W449 HydrophobicContact CG-CG 4.37Å; Y446-W449 PolarHBondContact O-N 2.81Å; T447-W449 VanDerWaalsContact C-N 3.34Å; T447-W449 PolarHBondContact O-N 2.92Å; W449-L452 HydrophobicContact CE3-CD2 4.13Å; W449-L452 HydrophobicContact CZ3-CD2 4.08Å; W449-S453 VanDerWaalsContact O-CB 3.23Å; W449-S453 WeakPolarHBondContact O-CB 3.23Å; W449-S453 PolarHBondContact O-N 3Å |
| 450 | N | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 174.3 | -89.5 | -61.5 | 0 | 0 | 0 | 112.8 | R37 L40 M435 Y442 Y446 T447 L452 S453 S454 | R37-N450 PolarHBondContact NH2-O 2.88Å; R37-N450 PolarHBondContact NH2-OD1 2.72Å; L40-N450 WeakPolarHBondContact O-CB 3.44Å; M435-N450 WeakPolarHBondContact CE-ND2 3.47Å; M435-N450 PolarHBondContact SD-ND2 2.89Å; M435-N450 VanDerWaalsContact SD-ND2 3.4Å; Y442-N450 HydrophobicContact CE1-CB 4.02Å; Y442-N450 HydrophobicContact CE2-CB 4.17Å; Y442-N450 VanDerWaalsContact OH-CB 3.25Å; Y442-N450 WeakPolarHBondContact OH-CB 3.44Å; Y446-N450 PolarHBondContact O-N 3.02Å; Y446-N450 PolarHBondContact O-ND2 2.99Å; Y446-N450 VanDerWaalsContact O-ND2 3.13Å; T447-N450 PolarHBondContact O-N 3.14Å; T447-N450 VanDerWaalsContact O-N 3.15Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.44Å; N450-S453 PolarHBondContact O-N 2.97Å; N450-S454 WeakPolarHBondContact O-CB 3.21Å; N450-S454 PolarHBondContact O-N 2.67Å; N450-S454 PolarHBondContact O-OG 3.34Å; N450-S454 VanDerWaalsContact O-OG 3.09Å |
| 451 | I | 98 | Very high | 97.6 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 173.2 | -70.2 | 170.2 | 0 | 0 | 0 | 109.8 | G41 T447 S453 S454 V455 | G41-I451 WeakPolarHBondContact O-CG1 3.45Å; T447-I451 HydrophobicContact CG2-CD1 3.57Å; T447-I451 HydrophobicContact CG2-CG1 4.1Å; T447-I451 WeakPolarHBondContact O-CG1 3.47Å; T447-I451 PolarHBondContact O-N 2.6Å; I451-S453 VanDerWaalsContact C-N 3.32Å; I451-S453 PolarHBondContact O-N 2.95Å; I451-S454 PolarHBondContact O-N 3.29Å; I451-V455 HydrophobicContact CG2-CG2 4.37Å; I451-V455 WeakPolarHBondContact O-CG2 3.23Å; I451-V455 PolarHBondContact O-N 3.23Å |
| 452 | L | 98 | Very high | 97.7 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | -180 | -171.3 | 62.1 | 0 | 0 | 0 | 111.7 | L422 P426 T448 W449 N450 S454 V455 G456 | L422-L452 HydrophobicContact CD2-CD1 4.05Å; L422-L452 HydrophobicContact CD2-CG 4.4Å; P426-L452 HydrophobicContact CB-CD2 4.49Å; P426-L452 HydrophobicContact CG-CB 4.3Å; P426-L452 HydrophobicContact CG-CD2 3.66Å; P426-L452 HydrophobicContact CG-CG 3.96Å; T448-L452 PolarHBondContact O-N 3.37Å; W449-L452 HydrophobicContact CE3-CD2 4.13Å; W449-L452 HydrophobicContact CZ3-CD2 4.08Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.44Å; L452-S454 VanDerWaalsContact C-N 3.34Å; L452-S454 PolarHBondContact O-N 2.99Å; L452-V455 PolarHBondContact O-N 3.43Å; L452-G456 PolarHBondContact O-N 3.43Å |
| 453 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | L422 T423 Q427 W449 N450 I451 G456 S457 | L422-S453 WeakPolarHBondContact O-CA 3.23Å; T423-S453 WeakPolarHBondContact CA-O 3.29Å; T423-S453 VanDerWaalsContact O-CB 3.26Å; T423-S453 WeakPolarHBondContact O-CB 3.47Å; T423-S453 PolarHBondContact O-OG 2.88Å; Q427-S453 PolarHBondContact NE2-OG 3.34Å; W449-S453 VanDerWaalsContact O-CB 3.23Å; W449-S453 WeakPolarHBondContact O-CB 3.23Å; W449-S453 PolarHBondContact O-N 3Å; N450-S453 PolarHBondContact O-N 2.97Å; I451-S453 VanDerWaalsContact C-N 3.32Å; I451-S453 PolarHBondContact O-N 2.95Å; S453-G456 PolarHBondContact O-N 2.93Å; S453-S457 PolarHBondContact O-N 3.28Å; S453-S457 VanDerWaalsContact O-N 3.15Å |
| 454 | S | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.5 | -39.7 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | R37 N450 I451 L452 G456 S457 F458 | R37-S454 PolarHBondContact NE-OG 3.3Å; R37-S454 PolarHBondContact NH2-OG 3.4Å; R37-S454 WeakPolarHBondContact O-CB 3.47Å; R37-S454 PolarHBondContact O-OG 3.23Å; N450-S454 WeakPolarHBondContact O-CB 3.21Å; N450-S454 PolarHBondContact O-N 2.67Å; N450-S454 PolarHBondContact O-OG 3.34Å; N450-S454 VanDerWaalsContact O-OG 3.09Å; I451-S454 PolarHBondContact O-N 3.29Å; L452-S454 VanDerWaalsContact C-N 3.34Å; L452-S454 PolarHBondContact O-N 2.99Å; S454-G456 VanDerWaalsContact C-N 3.3Å; S454-G456 PolarHBondContact O-N 3.14Å; S454-S457 WeakPolarHBondContact O-CB 3.42Å; S454-S457 PolarHBondContact O-N 2.72Å; S454-S457 VanDerWaalsContact O-N 3.1Å; S454-F458 WeakPolarHBondContact O-CD2 3.41Å; S454-F458 PolarHBondContact O-N 2.9Å; S454-F458 VanDerWaalsContact O-N 3.1Å |
| 455 | V | 98.4 | Very high | 97.8 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 171.7 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I451 L452 S457 F458 I459 | I451-V455 HydrophobicContact CG2-CG2 4.37Å; I451-V455 WeakPolarHBondContact O-CG2 3.23Å; I451-V455 PolarHBondContact O-N 3.23Å; L452-V455 PolarHBondContact O-N 3.43Å; V455-S457 VanDerWaalsContact C-N 3.28Å; V455-S457 PolarHBondContact O-N 3.15Å; V455-F458 PolarHBondContact O-N 3.3Å; V455-I459 HydrophobicContact CG1-CD1 4.05Å; V455-I459 WeakPolarHBondContact O-CG1 3.32Å; V455-I459 PolarHBondContact O-N 3.45Å |
| 456 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.6 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | G419 T423 L452 S453 S454 F458 I459 S460 | G419-G456 CarbonylContact C-O 3.41Å; G419-G456 WeakPolarHBondContact CA-O 3.42Å; G419-G456 CarbonylContact O-C 3.6Å; G419-G456 WeakPolarHBondContact O-CA 3.4Å; T423-G456 WeakPolarHBondContact OG1-CA 3.3Å; T423-G456 PolarHBondContact OG1-O 3.15Å; L452-G456 PolarHBondContact O-N 3.43Å; S453-G456 PolarHBondContact O-N 2.93Å; S454-G456 VanDerWaalsContact C-N 3.3Å; S454-G456 PolarHBondContact O-N 3.14Å; G456-F458 PolarHBondContact O-N 2.81Å; G456-I459 WeakPolarHBondContact O-CB 3.33Å; G456-I459 PolarHBondContact O-N 3.19Å; G456-S460 PolarHBondContact O-N 3.23Å; G456-S460 PolarHBondContact O-OG 3.25Å |
| 457 | S | 97.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | L34 T423 S453 S454 V455 I459 S460 L461 | L34-S457 WeakPolarHBondContact CD2-OG 3.46Å; T423-S457 WeakPolarHBondContact OG1-CA 3.41Å; T423-S457 PolarHBondContact OG1-N 3.29Å; S453-S457 PolarHBondContact O-N 3.28Å; S453-S457 VanDerWaalsContact O-N 3.15Å; S454-S457 WeakPolarHBondContact O-CB 3.42Å; S454-S457 PolarHBondContact O-N 2.72Å; S454-S457 VanDerWaalsContact O-N 3.1Å; V455-S457 VanDerWaalsContact C-N 3.28Å; V455-S457 PolarHBondContact O-N 3.15Å; S457-I459 VanDerWaalsContact C-N 3.35Å; S457-I459 PolarHBondContact O-N 3Å; S457-S460 WeakPolarHBondContact O-CB 3.39Å; S457-S460 PolarHBondContact O-N 3.21Å; S457-L461 PolarHBondContact O-N 3.36Å |
| 458 | F | 97.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 47.6 Ų | 47.6 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.5 | -34 | 173.3 | -73 | -69.7 | 0 | 0 | 0 | 112.8 | L34 A38 S454 V455 G456 L461 T462 | L34-F458 HydrophobicContact CD2-CD1 4.21Å; L34-F458 HydrophobicContact CD2-CE1 4.36Å; A38-F458 HydrophobicContact CB-CZ 4.46Å; S454-F458 WeakPolarHBondContact O-CD2 3.41Å; S454-F458 PolarHBondContact O-N 2.9Å; S454-F458 VanDerWaalsContact O-N 3.1Å; V455-F458 PolarHBondContact O-N 3.3Å; G456-F458 PolarHBondContact O-N 2.81Å; F458-L461 WeakPolarHBondContact O-CB 3.31Å; F458-L461 PolarHBondContact O-N 3.43Å; F458-T462 PolarHBondContact O-N 2.65Å |
| 459 | I | 98.4 | Very high | 98 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 171.1 | -66 | 165.6 | 0 | 0 | 0 | 109.9 | I415 L422 V455 G456 S457 L461 T462 A463 | I415-I459 HydrophobicContact CG2-CG2 3.86Å; L422-I459 HydrophobicContact CD1-CD1 3.74Å; V455-I459 HydrophobicContact CG1-CD1 4.05Å; V455-I459 WeakPolarHBondContact O-CG1 3.32Å; V455-I459 PolarHBondContact O-N 3.45Å; G456-I459 WeakPolarHBondContact O-CB 3.33Å; G456-I459 PolarHBondContact O-N 3.19Å; S457-I459 VanDerWaalsContact C-N 3.35Å; S457-I459 PolarHBondContact O-N 3Å; I459-L461 VanDerWaalsContact C-N 3.27Å; I459-L461 PolarHBondContact O-N 2.94Å; I459-T462 WeakPolarHBondContact O-CB 3.23Å; I459-T462 PolarHBondContact O-N 3.43Å; I459-T462 PolarHBondContact O-OG1 3.08Å; I459-A463 PolarHBondContact O-N 3.35Å |
| 460 | S | 97.3 | Very high | 98 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -33.8 | 175.6 | -71 | 0 | 0 | 0 | 0 | 113 | G419 V420 G456 S457 T462 A463 V464 | G419-S460 VanDerWaalsContact C-OG 3.29Å; V420-S460 PolarHBondContact N-OG 3.13Å; G456-S460 PolarHBondContact O-N 3.23Å; G456-S460 PolarHBondContact O-OG 3.25Å; S457-S460 WeakPolarHBondContact O-CB 3.39Å; S457-S460 PolarHBondContact O-N 3.21Å; S460-T462 VanDerWaalsContact C-N 3.31Å; S460-T462 PolarHBondContact O-N 2.89Å; S460-A463 WeakPolarHBondContact O-CB 3.37Å; S460-A463 PolarHBondContact O-N 3.02Å; S460-A463 VanDerWaalsContact O-N 3.14Å; S460-V464 PolarHBondContact O-N 3.36Å; S460-V464 VanDerWaalsContact O-N 3.07Å |
| 461 | L | 97.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 171.4 | 170 | 62.5 | 0 | 0 | 0 | 111.7 | L34 S457 F458 I459 A463 V464 M465 | L34-L461 HydrophobicContact CD1-CB 4.14Å; L34-L461 HydrophobicContact CD1-CD1 3.83Å; L34-L461 HydrophobicContact CD1-CD2 3.87Å; L34-L461 HydrophobicContact CD1-CG 4.14Å; L34-L461 HydrophobicContact CD2-CB 4.12Å; L34-L461 HydrophobicContact CD2-CD2 4.44Å; S457-L461 PolarHBondContact O-N 3.36Å; F458-L461 WeakPolarHBondContact O-CB 3.31Å; F458-L461 PolarHBondContact O-N 3.43Å; I459-L461 VanDerWaalsContact C-N 3.27Å; I459-L461 PolarHBondContact O-N 2.94Å; L461-A463 PolarHBondContact O-N 3.17Å; L461-V464 PolarHBondContact O-N 2.89Å; L461-V464 VanDerWaalsContact O-N 3.11Å; L461-M465 HydrophobicContact CD1-CG 4.15Å; L461-M465 HydrophobicContact CD1-SD 4.45Å; L461-M465 WeakPolarHBondContact O-CG 3.19Å; L461-M465 PolarHBondContact O-N 3.2Å |
| 462 | T | 97.9 | Very high | 97.9 | Very high | 73 Ų | 73 | 48.2 Ų | 48.2 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -34.2 | 177.3 | 69.4 | 0 | 0 | 0 | 0 | 112.2 | I415 F458 I459 S460 M465 L466 | I415-T462 WeakPolarHBondContact CG2-OG1 3.25Å; F458-T462 PolarHBondContact O-N 2.65Å; I459-T462 WeakPolarHBondContact O-CB 3.23Å; I459-T462 PolarHBondContact O-N 3.43Å; I459-T462 PolarHBondContact O-OG1 3.08Å; S460-T462 VanDerWaalsContact C-N 3.31Å; S460-T462 PolarHBondContact O-N 2.89Å; T462-M465 PolarHBondContact O-N 3.22Å; T462-L466 WeakPolarHBondContact O-CB 3.42Å; T462-L466 PolarHBondContact O-N 3.18Å |
| 463 | A | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | H412 I415 M416 I459 S460 L461 M465 L466 M467 | H412-A463 PolarHBondContact CD2-O 3.34Å; H412-A463 PolarHBondContact NE2-O 3.4Å; I415-A463 HydrophobicContact CB-CB 4.23Å; I415-A463 HydrophobicContact CG2-CB 3.84Å; M416-A463 HydrophobicContact CB-CB 3.83Å; M416-A463 HydrophobicContact CE-CB 3.71Å; M416-A463 HydrophobicContact SD-CB 4.2Å; I459-A463 PolarHBondContact O-N 3.35Å; S460-A463 WeakPolarHBondContact O-CB 3.37Å; S460-A463 PolarHBondContact O-N 3.02Å; S460-A463 VanDerWaalsContact O-N 3.14Å; L461-A463 PolarHBondContact O-N 3.17Å; A463-M465 VanDerWaalsContact C-N 3.33Å; A463-M465 PolarHBondContact O-N 3.04Å; A463-L466 WeakPolarHBondContact O-CB 3.28Å; A463-L466 PolarHBondContact O-N 3.01Å; A463-L466 VanDerWaalsContact O-N 3.16Å; A463-M467 PolarHBondContact O-N 3.16Å |
| 464 | V | 97.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | T30 M416 S460 L461 L466 M467 I468 | T30-V464 HydrophobicContact CG2-CG2 4.34Å; M416-V464 HydrophobicContact CE-CG2 4.14Å; S460-V464 PolarHBondContact O-N 3.36Å; S460-V464 VanDerWaalsContact O-N 3.07Å; L461-V464 PolarHBondContact O-N 2.89Å; L461-V464 VanDerWaalsContact O-N 3.11Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.06Å; V464-M467 WeakPolarHBondContact O-CB 3.36Å; V464-M467 PolarHBondContact O-N 3.25Å; V464-I468 PolarHBondContact O-N 3.18Å |
| 465 | M | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 51 Ų | 51 | 55% | 0.547 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 176 | -64 | -53.8 | -66.3 | 0 | 0 | 112.1 | L461 T462 A463 M467 I468 F469 | L461-M465 HydrophobicContact CD1-CG 4.15Å; L461-M465 HydrophobicContact CD1-SD 4.45Å; L461-M465 WeakPolarHBondContact O-CG 3.19Å; L461-M465 PolarHBondContact O-N 3.2Å; T462-M465 PolarHBondContact O-N 3.22Å; A463-M465 VanDerWaalsContact C-N 3.33Å; A463-M465 PolarHBondContact O-N 3.04Å; M465-M467 VanDerWaalsContact C-N 3.34Å; M465-M467 PolarHBondContact O-N 2.92Å; M465-I468 PolarHBondContact O-N 3.06Å; M465-I468 HydrophobicContact SD-CD1 4.33Å; M465-F469 PolarHBondContact O-N 3.38Å |
| 466 | L | 98.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.4 | -179.2 | 59 | 0 | 0 | 0 | 112 | I411 H412 I415 T462 A463 V464 F469 M470 | I411-L466 HydrophobicContact CB-CD2 4.34Å; I411-L466 HydrophobicContact CG2-CD2 3.8Å; H412-L466 HydrophobicContact CB-CD2 3.8Å; H412-L466 HydrophobicContact CB-CG 4.19Å; I415-L466 HydrophobicContact CD1-CD2 4.09Å; T462-L466 WeakPolarHBondContact O-CB 3.42Å; T462-L466 PolarHBondContact O-N 3.18Å; A463-L466 WeakPolarHBondContact O-CB 3.28Å; A463-L466 PolarHBondContact O-N 3.01Å; A463-L466 VanDerWaalsContact O-N 3.16Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.06Å; L466-F469 HydrophobicContact CD1-CD1 3.96Å; L466-F469 WeakPolarHBondContact O-CB 3.35Å; L466-F469 PolarHBondContact O-N 3.24Å; L466-M470 HydrophobicContact CD1-CG 4.4Å; L466-M470 HydrophobicContact CG-CG 4.45Å; L466-M470 HydrophobicContact CG-SD 4.34Å; L466-M470 WeakPolarHBondContact O-CB 3.15Å; L466-M470 VanDerWaalsContact O-CG 3.27Å; L466-M470 WeakPolarHBondContact O-CG 3.21Å; L466-M470 PolarHBondContact O-N 2.87Å |
| 467 | M | 97.8 | Very high | 97.5 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 174 | 177.7 | 58.6 | 92.6 | 0 | 0 | 111.6 | M389 F392 H412 A463 V464 M465 F469 M470 I471 | M389-M467 HydrophobicContact CE-CE 4.49Å; M389-M467 HydrophobicContact SD-CE 3.26Å; M389-M467 WeakPolarHBondContact SD-CE 3.33Å; F392-M467 HydrophobicContact CD1-CE 4.01Å; F392-M467 HydrophobicContact CD1-SD 4.27Å; F392-M467 HydrophobicContact CE1-CE 4.31Å; F392-M467 HydrophobicContact CE1-SD 3.96Å; H412-M467 VanDerWaalsContact CE1-CE 3.47Å; H412-M467 WeakPolarHBondContact CE1-CE 3.47Å; A463-M467 PolarHBondContact O-N 3.16Å; V464-M467 WeakPolarHBondContact O-CB 3.36Å; V464-M467 PolarHBondContact O-N 3.25Å; M465-M467 VanDerWaalsContact C-N 3.34Å; M465-M467 PolarHBondContact O-N 2.92Å; M467-F469 VanDerWaalsContact C-N 3.3Å; M467-F469 PolarHBondContact O-N 3.3Å; M467-M470 WeakPolarHBondContact O-CB 3.09Å; M467-M470 PolarHBondContact O-N 3.46Å; M467-I471 HydrophobicContact CG-CD1 4.16Å; M467-I471 WeakPolarHBondContact O-CG1 3.41Å; M467-I471 PolarHBondContact O-N 3.19Å; M467-I471 HydrophobicContact SD-CD1 4.17Å; M467-I471 HydrophobicContact SD-CG1 4.23Å |
| 468 | I | 97.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.6 | -64 | 165 | 0 | 0 | 0 | 110.3 | V464 M465 I471 W472 | V464-I468 PolarHBondContact O-N 3.18Å; M465-I468 PolarHBondContact O-N 3.06Å; M465-I468 HydrophobicContact SD-CD1 4.33Å; I468-I471 PolarHBondContact O-N 3.19Å; I468-W472 PolarHBondContact O-N 3.08Å |
| 469 | F | 98.3 | Very high | 97 | Very high | 78 Ų | 78 | 57.2 Ų | 57.2 | 34% | 0.342 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.7 | 170.8 | -97.2 | 0 | 0 | 0 | 112.3 | Y408 M465 L466 M467 I471 W472 E473 | Y408-F469 HydrophobicContact CD2-CE1 4.17Å; Y408-F469 HydrophobicContact CE2-CE1 4.02Å; M465-F469 PolarHBondContact O-N 3.38Å; L466-F469 HydrophobicContact CD1-CD1 3.96Å; L466-F469 WeakPolarHBondContact O-CB 3.35Å; L466-F469 PolarHBondContact O-N 3.24Å; M467-F469 VanDerWaalsContact C-N 3.3Å; M467-F469 PolarHBondContact O-N 3.3Å; F469-I471 VanDerWaalsContact C-N 3.33Å; F469-I471 PolarHBondContact O-N 2.98Å; F469-W472 AromaticContact CD2-CE3 3.9Å; F469-W472 HydrophobicContact CD2-CE3 3.9Å; F469-W472 HydrophobicContact CD2-CZ3 4.12Å; F469-W472 AromaticContact CE2-CE3 3.88Å; F469-W472 HydrophobicContact CE2-CE3 3.88Å; F469-W472 AromaticContact CE2-CZ3 3.66Å; F469-W472 HydrophobicContact CE2-CZ3 3.66Å; F469-W472 HydrophobicContact CZ-CZ3 4.5Å; F469-W472 PolarHBondContact O-N 2.83Å; F469-E473 HydrophobicContact CE1-CB 4.31Å; F469-E473 HydrophobicContact CE1-CG 4.39Å; F469-E473 HydrophobicContact CZ-CB 4.31Å; F469-E473 HydrophobicContact CZ-CG 4.25Å; F469-E473 WeakPolarHBondContact O-CB 3.25Å; F469-E473 PolarHBondContact O-N 3.06Å |
| 470 | M | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 179.5 | -76.5 | 173.1 | 51.3 | 0 | 0 | 112.4 | L404 A409 H412 L466 M467 E473 A474 | L404-M470 HydrophobicContact CB-CE 4.3Å; L404-M470 HydrophobicContact CD1-CE 3.99Å; L404-M470 HydrophobicContact CD2-CB 4.42Å; L404-M470 HydrophobicContact CD2-CE 4.39Å; L404-M470 HydrophobicContact CG-CE 4.46Å; A409-M470 VanDerWaalsContact CA-CE 3.49Å; A409-M470 HydrophobicContact CB-CE 3.59Å; H412-M470 HydrophobicContact CB-SD 3.66Å; L466-M470 HydrophobicContact CD1-CG 4.4Å; L466-M470 HydrophobicContact CG-CG 4.45Å; L466-M470 HydrophobicContact CG-SD 4.34Å; L466-M470 WeakPolarHBondContact O-CB 3.15Å; L466-M470 VanDerWaalsContact O-CG 3.27Å; L466-M470 WeakPolarHBondContact O-CG 3.21Å; L466-M470 PolarHBondContact O-N 2.87Å; M467-M470 WeakPolarHBondContact O-CB 3.09Å; M467-M470 PolarHBondContact O-N 3.46Å; M470-E473 PolarHBondContact O-N 3.24Å; M470-A474 WeakPolarHBondContact O-CB 3.46Å; M470-A474 PolarHBondContact O-N 3.46Å |
| 471 | I | 97.3 | Very high | 96.2 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 28% | 0.282 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 176.9 | -65.9 | 169.7 | 0 | 0 | 0 | 109.6 | F392 M467 I468 F469 E473 A474 F475 | F392-I471 HydrophobicContact CE1-CD1 4.08Å; F392-I471 HydrophobicContact CE1-CG1 4.06Å; F392-I471 HydrophobicContact CZ-CD1 3.76Å; F392-I471 HydrophobicContact CZ-CG1 3.94Å; M467-I471 HydrophobicContact CG-CD1 4.16Å; M467-I471 WeakPolarHBondContact O-CG1 3.41Å; M467-I471 PolarHBondContact O-N 3.19Å; M467-I471 HydrophobicContact SD-CD1 4.17Å; M467-I471 HydrophobicContact SD-CG1 4.23Å; I468-I471 PolarHBondContact O-N 3.19Å; F469-I471 VanDerWaalsContact C-N 3.33Å; F469-I471 PolarHBondContact O-N 2.98Å; I471-E473 VanDerWaalsContact C-N 3.32Å; I471-E473 PolarHBondContact O-N 3.03Å; I471-A474 PolarHBondContact O-N 3.03Å; I471-F475 HydrophobicContact CG2-CD2 3.92Å; I471-F475 HydrophobicContact CG2-CE2 3.84Å; I471-F475 VanDerWaalsContact O-CD2 3.23Å; I471-F475 WeakPolarHBondContact O-CD2 3.33Å; I471-F475 PolarHBondContact O-N 3.17Å |
| 472 | W | 97.5 | Very high | 95.4 | Very high | 164 Ų | 164 | 69 Ų | 69 | 62% | 0.621 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -56.6 | -46.6 | 176.6 | 170 | 81.8 | 0 | 0 | 0 | 112 | I468 F469 A474 F475 A476 | I468-W472 PolarHBondContact O-N 3.08Å; F469-W472 AromaticContact CD2-CE3 3.9Å; F469-W472 HydrophobicContact CD2-CE3 3.9Å; F469-W472 HydrophobicContact CD2-CZ3 4.12Å; F469-W472 AromaticContact CE2-CE3 3.88Å; F469-W472 HydrophobicContact CE2-CE3 3.88Å; F469-W472 AromaticContact CE2-CZ3 3.66Å; F469-W472 HydrophobicContact CE2-CZ3 3.66Å; F469-W472 HydrophobicContact CZ-CZ3 4.5Å; F469-W472 PolarHBondContact O-N 2.83Å; W472-A474 VanDerWaalsContact C-N 3.35Å; W472-A474 PolarHBondContact O-N 3.26Å; W472-F475 PolarHBondContact O-N 3.05Å; W472-A476 HydrophobicContact CZ2-CB 4.45Å; W472-A476 WeakPolarHBondContact O-CB 3.33Å; W472-A476 PolarHBondContact O-N 3.35Å |
| 473 | E | 97.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 73 Ų | 73 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | -178.4 | -171.4 | -75.4 | 147.1 | 0 | 0 | 111.6 | F469 M470 I471 A476 S477 R479 | F469-E473 HydrophobicContact CE1-CB 4.31Å; F469-E473 HydrophobicContact CE1-CG 4.39Å; F469-E473 HydrophobicContact CZ-CB 4.31Å; F469-E473 HydrophobicContact CZ-CG 4.25Å; F469-E473 WeakPolarHBondContact O-CB 3.25Å; F469-E473 PolarHBondContact O-N 3.06Å; M470-E473 PolarHBondContact O-N 3.24Å; I471-E473 VanDerWaalsContact C-N 3.32Å; I471-E473 PolarHBondContact O-N 3.03Å; E473-A476 PolarHBondContact O-N 3.12Å; E473-S477 VanDerWaalsContact O-CB 3.25Å; E473-S477 WeakPolarHBondContact O-CB 3.41Å; E473-S477 PolarHBondContact O-N 3.22Å; E473-S477 PolarHBondContact O-OG 3.23Å; E473-R479 IonicContact OE1-CZ 2.81Å; E473-R479 IonicContact OE1-NH1 2.96Å; E473-R479 PolarHBondContact OE1-NH1 2.86Å; E473-R479 IonicContact OE1-NH2 3.75Å; E473-R479 IonicContact OE2-CZ 3.52Å; E473-R479 IonicContact OE2-NH1 3.5Å; E473-R479 PolarHBondContact OE2-NH1 3.1Å; E473-R479 IonicContact OE2-NH2 2.9Å; E473-R479 PolarHBondContact OE2-NH2 3.23Å |
| 474 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F396 L404 M470 I471 W472 S477 K478 | F396-A474 HydrophobicContact CE1-CB 3.8Å; F396-A474 HydrophobicContact CZ-CB 3.94Å; L404-A474 HydrophobicContact CD2-CB 3.93Å; M470-A474 WeakPolarHBondContact O-CB 3.46Å; M470-A474 PolarHBondContact O-N 3.46Å; I471-A474 PolarHBondContact O-N 3.03Å; W472-A474 VanDerWaalsContact C-N 3.35Å; W472-A474 PolarHBondContact O-N 3.26Å; A474-S477 PolarHBondContact O-OG 3Å; A474-K478 PolarHBondContact O-N 3.11Å |
| 475 | F | 96.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 77 Ų | 77 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.4 | -31 | 176.4 | -77 | -71 | 0 | 0 | 0 | 113.3 | F396 Y402 I471 W472 K478 | F396-F475 HydrophobicContact CE2-CE2 4.31Å; F396-F475 HydrophobicContact CZ-CE2 4.09Å; F396-F475 HydrophobicContact CZ-CZ 4.45Å; Y402-F475 AromaticContact CD2-CD1 3.63Å; Y402-F475 HydrophobicContact CD2-CD1 3.63Å; Y402-F475 AromaticContact CD2-CE1 3.67Å; Y402-F475 HydrophobicContact CD2-CE1 3.67Å; Y402-F475 AromaticContact CE2-CD1 3.56Å; Y402-F475 HydrophobicContact CE2-CD1 3.56Å; Y402-F475 AromaticContact CE2-CE1 3.75Å; Y402-F475 HydrophobicContact CE2-CE1 3.75Å; I471-F475 HydrophobicContact CG2-CD2 3.92Å; I471-F475 HydrophobicContact CG2-CE2 3.84Å; I471-F475 VanDerWaalsContact O-CD2 3.23Å; I471-F475 WeakPolarHBondContact O-CD2 3.33Å; I471-F475 PolarHBondContact O-N 3.17Å; W472-F475 PolarHBondContact O-N 3.05Å; F475-K478 VanDerWaalsContact O-CG 3.23Å; F475-K478 WeakPolarHBondContact O-CG 3.32Å |
| 476 | A | 97.4 | Very high | 90.9 | Very high | 61 Ų | 61 | 76.6 Ų | 76.6 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.3 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W472 E473 | W472-A476 HydrophobicContact CZ2-CB 4.45Å; W472-A476 WeakPolarHBondContact O-CB 3.33Å; W472-A476 PolarHBondContact O-N 3.35Å; E473-A476 PolarHBondContact O-N 3.12Å |
| 477 | S | 95.5 | Very high | 89.2 | Confident | 49 Ų | 49 | 77.8 Ų | 77.8 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -75.1 | -25.1 | 179.5 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | E473 A474 R479 | E473-S477 VanDerWaalsContact O-CB 3.25Å; E473-S477 WeakPolarHBondContact O-CB 3.41Å; E473-S477 PolarHBondContact O-N 3.22Å; E473-S477 PolarHBondContact O-OG 3.23Å; A474-S477 PolarHBondContact O-OG 3Å; S477-R479 PolarHBondContact O-N 3.27Å; S477-R479 PolarHBondContact OG-NH1 3.36Å |
| 478 | K | 93.8 | Very high | 87.5 | Confident | 131 Ų | 131 | 81.7 Ų | 81.7 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 37.1 | -179.8 | -59.1 | -178.4 | -177.8 | 176.2 | 0 | 113.1 | Y402 A474 F475 K480 | Y402-K478 HydrophobicContact CD1-CB 4.36Å; Y402-K478 HydrophobicContact CE1-CB 3.73Å; Y402-K478 HydrophobicContact CE1-CG 4.22Å; A474-K478 PolarHBondContact O-N 3.11Å; F475-K478 VanDerWaalsContact O-CG 3.23Å; F475-K478 WeakPolarHBondContact O-CG 3.32Å; K478-K480 PolarHBondContact O-N 2.96Å |
| 479 | R | 91.1 | Very high | 86.4 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 27% | 0.272 | 41% | 0.409 | S | S | . | . | trans | -65.9 | 97 | 176.7 | -72.7 | -171.8 | -61 | -91.9 | -14.5 | 110.3 | Y402 T403 E473 S477 | Y402-R479 CarbonylContact C-O 3.48Å; Y402-R479 WeakPolarHBondContact CA-O 3.28Å; T403-R479 PolarHBondContact N-O 2.91Å; T403-R479 PolarHBondContact O-NE 3.02Å; T403-R479 PolarHBondContact O-NH2 3.32Å; T403-R479 VanDerWaalsContact O-NH2 3.15Å; T403-R479 WeakPolarHBondContact OG1-CB 3.31Å; T403-R479 PolarHBondContact OG1-O 3.33Å; E473-R479 IonicContact OE1-CZ 2.81Å; E473-R479 IonicContact OE1-NH1 2.96Å; E473-R479 PolarHBondContact OE1-NH1 2.86Å; E473-R479 IonicContact OE1-NH2 3.75Å; E473-R479 IonicContact OE2-CZ 3.52Å; E473-R479 IonicContact OE2-NH1 3.5Å; E473-R479 PolarHBondContact OE2-NH1 3.1Å; E473-R479 IonicContact OE2-NH2 2.9Å; E473-R479 PolarHBondContact OE2-NH2 3.23Å; S477-R479 PolarHBondContact O-N 3.27Å; S477-R479 PolarHBondContact OG-NH1 3.36Å | ||
| 480 | K | 91 | Very high | 85.8 | Confident | 153 Ų | 153 | 79.3 Ų | 79.3 | 67% | 0.665 | 40% | 0.4 | S | S | * | . | B | Isolated β-bridge | trans | -70.2 | 149.7 | -179.2 | -67.6 | -175.3 | 178.6 | -177.3 | 0 | 111.9 | Y402 K478 L482 | Y402-K480 HydrophobicContact CD1-CG 4.33Å; Y402-K480 HydrophobicContact CE1-CG 4.15Å; K478-K480 PolarHBondContact O-N 2.96Å; K480-L482 PolarHBondContact O-N 3.05Å |
| 481 | V | 87.8 | Confident | 85.4 | Confident | 36 Ų | 36 | 80.6 Ų | 80.6 | 22% | 0.218 | 41% | 0.407 | C | S | . | . | trans | -65.9 | 121.1 | 169.6 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | P397 G401 T403 V484 C497 | P397-V481 HydrophobicContact CB-CG2 3.6Å; G401-V481 PolarHBondContact O-N 3.45Å; T403-V481 HydrophobicContact CG2-CG2 3.94Å; V481-V484 HydrophobicContact CG1-CG2 3.97Å; V481-C497 HydrophobicContact CB-CB 4.24Å; V481-C497 HydrophobicContact CG2-CB 4Å | ||
| 482 | L | 80.2 | Confident | 85.2 | Confident | 176 Ų | 176 | 78.1 Ų | 78.1 | 92% | 0.921 | 39% | 0.394 | S | S | * | . | trans | -84.8 | -43.5 | 177.8 | -66.1 | 175.2 | 0 | 0 | 0 | 111.9 | K480 | K480-L482 PolarHBondContact O-N 3.05Š| ||
| 483 | M | 79 | Confident | 84.9 | Confident | 158 Ų | 158 | 70.9 Ų | 70.9 | 78% | 0.778 | 37% | 0.367 | S | S | * | . | trans | -154.4 | 140.1 | 179.9 | -173.2 | 173.6 | 178.8 | 0 | 0 | 109.1 | ||||
| 484 | V | 80.3 | Confident | 84.6 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | trans | -95.4 | 133.4 | 167.6 | -177 | 0 | 0 | 0 | 0 | 108.1 | V481 W493 | V481-V484 HydrophobicContact CG1-CG2 3.97Å; V484-W493 HydrophobicContact CG1-CB 3.86Å; V484-W493 HydrophobicContact CG1-CD2 3.76Å; V484-W493 HydrophobicContact CG1-CE3 3.84Å; V484-W493 HydrophobicContact CG1-CG 3.76Å; V484-W493 HydrophobicContact CG2-CE3 3.94Å; V484-W493 HydrophobicContact CG2-CZ3 4.5Å | ||
| 485 | E | 69.6 | Low | 84.2 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 42% | 0.416 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -80.5 | 136.2 | 177.1 | -57.2 | -179.9 | 143.2 | 0 | 0 | 109.7 | Y259 K332 | Y259-E485 WeakPolarHBondContact CE2-O 3.37Å; Y259-E485 PolarHBondContact OH-N 3.43Å; Y259-E485 PolarHBondContact OH-O 3.05Å; K332-E485 WeakPolarHBondContact CD-OE2 3.34Å; K332-E485 IonicContact NZ-OE1 3.72Å; K332-E485 PolarHBondContact NZ-OE1 3.12Å; K332-E485 IonicContact NZ-OE2 3.94Å; K332-E485 PolarHBondContact NZ-OE2 3Å |
| 486 | E | 67.8 | Low | 83.8 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | trans | 55.6 | 52.1 | 177.1 | -57.2 | -62.6 | 155.7 | 0 | 0 | 116.7 | S488 M489 | E486-S488 PolarHBondContact O-N 3.3Å; E486-M489 PolarHBondContact O-N 2.84Å | ||
| 487 | P | 61.5 | Low | 83.6 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 34% | 0.344 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.5 | 179.4 | 30.2 | -35.7 | 0 | 0 | 0 | 113.5 | M489 W493 | P487-M489 VanDerWaalsContact C-N 3.33Å; P487-M489 PolarHBondContact O-N 3.08Å; P487-W493 HydrophobicContact CB-CB 4.38Å |
| 488 | S | 63.1 | Low | 83.5 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 70% | 0.699 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -19.6 | -178.3 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | E486 | E486-S488 PolarHBondContact O-N 3.3Š|
| 489 | M | 73.9 | Confident | 83.5 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 39% | 0.394 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -17.9 | 179.7 | -59.4 | -172 | -168.5 | 0 | 0 | 113.1 | K264 E486 P487 | K264-M489 HydrophobicContact CB-SD 4.12Å; K264-M489 HydrophobicContact CD-CE 4.25Å; K264-M489 HydrophobicContact CG-CE 3.83Å; K264-M489 HydrophobicContact CG-SD 3.75Å; E486-M489 PolarHBondContact O-N 2.84Å; P487-M489 VanDerWaalsContact C-N 3.33Å; P487-M489 PolarHBondContact O-N 3.08Å |
| 490 | N | 86.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 17% | 0.166 | 37% | 0.372 | C | S | . | . | trans | -131 | 104.2 | -172.4 | -66 | -65 | 0 | 0 | 0 | 109.6 | E492 W493 | N490-E492 PolarHBondContact O-N 3.29Å; N490-E492 VanDerWaalsContact O-N 3.16Å; N490-W493 PolarHBondContact O-N 2.93Å | ||
| 491 | L | 90.1 | Very high | 83.5 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -59.6 | -28.2 | -172.6 | -68.5 | 178.9 | 0 | 0 | 0 | 113.4 | L84 M175 W493 L494 V508 M510 | L84-L491 WeakPolarHBondContact O-CB 3.35Å; M175-L491 HydrophobicContact CE-CD1 4.13Å; L491-W493 PolarHBondContact O-N 2.92Å; L491-L494 VanDerWaalsContact O-CB 3.29Å; L491-L494 WeakPolarHBondContact O-CB 3.29Å; L491-L494 PolarHBondContact O-N 2.75Å; L491-L494 VanDerWaalsContact O-N 3.16Å; L491-V508 HydrophobicContact CD2-CG1 3.99Å; L491-M510 HydrophobicContact CD1-SD 4.24Å |
| 492 | E | 92.8 | Very high | 83.6 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.019 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -64.7 | -21.8 | -177.8 | 70.9 | -84.7 | -160.2 | 0 | 0 | 113.6 | L84 M85 L398 N490 | L84-E492 HydrophobicContact CB-CB 3.89Å; L84-E492 HydrophobicContact CD1-CB 4.35Å; M85-E492 HydrophobicContact CE-CG 4.24Å; M85-E492 HydrophobicContact CG-CB 4.25Å; L398-E492 WeakPolarHBondContact CD1-O 3.43Å; L398-E492 HydrophobicContact CD2-CB 4.14Å; L398-E492 HydrophobicContact CD2-CG 4.19Å; N490-E492 PolarHBondContact O-N 3.29Å; N490-E492 VanDerWaalsContact O-N 3.16Å |
| 493 | W | 92.1 | Very high | 84.1 | Confident | 12 Ų | 12 | 63 Ų | 63 | 5% | 0.045 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -93.7 | -4.1 | 179.6 | -57.2 | 100.6 | 0 | 0 | 0 | 113.9 | H394 W395 P397 L398 V484 P487 N490 L491 Y495 G496 C497 | H394-W493 AromaticContact CE1-CZ2 3.84Å; H394-W493 AromaticContact NE2-CZ2 3.99Å; H394-W493 WeakPolarHBondContact O-CH2 3.43Å; W395-W493 AromaticContact CD1-CH2 3.91Å; W395-W493 AromaticContact CD1-CZ2 3.4Å; W395-W493 HydrophobicContact CG-CZ2 4.36Å; W395-W493 AromaticContact NE1-CZ2 3.83Å; P397-W493 HydrophobicContact CB-CZ3 4.33Å; L398-W493 HydrophobicContact CB-CE3 4.21Å; L398-W493 HydrophobicContact CB-CH2 3.79Å; L398-W493 HydrophobicContact CB-CZ3 3.54Å; L398-W493 HydrophobicContact CD1-CE3 3.98Å; L398-W493 HydrophobicContact CD1-CZ3 4.18Å; L398-W493 HydrophobicContact CG-CZ3 4.37Å; V484-W493 HydrophobicContact CG1-CB 3.86Å; V484-W493 HydrophobicContact CG1-CD2 3.76Å; V484-W493 HydrophobicContact CG1-CE3 3.84Å; V484-W493 HydrophobicContact CG1-CG 3.76Å; V484-W493 HydrophobicContact CG2-CE3 3.94Å; V484-W493 HydrophobicContact CG2-CZ3 4.5Å; P487-W493 HydrophobicContact CB-CB 4.38Å; N490-W493 PolarHBondContact O-N 2.93Å; L491-W493 PolarHBondContact O-N 2.92Å; W493-Y495 PolarHBondContact O-N 3.23Å; W493-G496 PolarHBondContact O-N 2.86Å; W493-C497 VanDerWaalsContact CE3-SG 3.56Å |
| 494 | L | 89.6 | Confident | 84.6 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -38.1 | -170.1 | -175.6 | 63.8 | 0 | 0 | 0 | 113.4 | L491 G496 F504 | L491-L494 VanDerWaalsContact O-CB 3.29Å; L491-L494 WeakPolarHBondContact O-CB 3.29Å; L491-L494 PolarHBondContact O-N 2.75Å; L491-L494 VanDerWaalsContact O-N 3.16Å; L494-G496 PolarHBondContact O-N 3.11Å; L494-F504 HydrophobicContact CD2-CE1 4.36Å |
| 495 | Y | 88.9 | Confident | 84.8 | Confident | 89 Ų | 89 | 62.8 Ų | 62.8 | 35% | 0.349 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 20.6 | -175.2 | -69.7 | -83.9 | 0 | 0 | 0 | 113.9 | W493 P499 P500 T503 F504 | W493-Y495 PolarHBondContact O-N 3.23Å; Y495-P499 WeakPolarHBondContact O-CA 3.49Å; Y495-P500 WeakPolarHBondContact O-CD 3.45Å; Y495-T503 HydrophobicContact CD1-CG2 4.16Å; Y495-T503 HydrophobicContact CD2-CG2 3.72Å; Y495-T503 HydrophobicContact CE2-CG2 4.35Å; Y495-T503 HydrophobicContact CG-CG2 3.61Å; Y495-F504 HydrophobicContact CD2-CE1 4.24Å; Y495-F504 HydrophobicContact CD2-CE2 4.27Å; Y495-F504 HydrophobicContact CD2-CZ 4.03Å; Y495-F504 AromaticContact CE2-CD1 3.55Å; Y495-F504 HydrophobicContact CE2-CD1 3.55Å; Y495-F504 HydrophobicContact CE2-CD2 4.19Å; Y495-F504 AromaticContact CE2-CE1 3.44Å; Y495-F504 HydrophobicContact CE2-CE1 3.44Å; Y495-F504 VanDerWaalsContact CE2-CE1 3.44Å; Y495-F504 HydrophobicContact CE2-CE2 4.02Å; Y495-F504 AromaticContact CE2-CG 3.96Å; Y495-F504 HydrophobicContact CE2-CG 3.96Å; Y495-F504 AromaticContact CE2-CZ 3.67Å; Y495-F504 HydrophobicContact CE2-CZ 3.67Å; Y495-F504 PolarHBondContact OH-N 3.25Å |
| 496 | G | 88.6 | Confident | 85.3 | Confident | 33 Ų | 33 | 66 Ų | 66 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | trans | 79.8 | -171.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W493 L494 P498 | W493-G496 PolarHBondContact O-N 2.86Å; L494-G496 PolarHBondContact O-N 3.11Å; G496-P498 CarbonylContact O-C 3.54Å | ||
| 497 | C | 92.4 | Very high | 85.8 | Confident | 30 Ų | 30 | 66 Ų | 66 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -134.9 | 105.1 | -170.6 | -68.3 | 0 | 0 | 0 | 0 | 110.7 | P397 G401 V481 W493 | P397-C497 WeakPolarHBondContact O-CB 3.37Å; G401-C497 VanDerWaalsContact CA-O 3.3Å; G401-C497 WeakPolarHBondContact CA-O 3.47Å; V481-C497 HydrophobicContact CB-CB 4.24Å; V481-C497 HydrophobicContact CG2-CB 4Å; W493-C497 VanDerWaalsContact CE3-SG 3.56Å |
| 498 | P | 93.9 | Very high | 86.6 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | S | Bend | cis | -77.2 | 155.9 | -4.9 | 34.3 | -35.1 | 0 | 0 | 0 | 112.3 | L398 G496 | L398-P498 WeakPolarHBondContact O-CA 3.3Å; G496-P498 CarbonylContact O-C 3.54Å |
| 499 | P | 93.4 | Very high | 87 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 154.6 | 174.1 | 27.7 | -34 | 0 | 0 | 0 | 111.7 | K12 W80 L84 L398 Y495 T503 | K12-P499 HydrophobicContact CD-CG 4.32Å; W80-P499 HydrophobicContact CZ3-CG 4.13Å; L84-P499 HydrophobicContact CD1-CG 4.42Å; L398-P499 HydrophobicContact CD1-CG 4.4Å; L398-P499 WeakPolarHBondContact O-CD 3.25Å; Y495-P499 WeakPolarHBondContact O-CA 3.49Å; P499-T503 HydrophobicContact CB-CG2 4.02Å |
| 500 | P | 93.4 | Very high | 86.7 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -59 | 163.7 | 172.5 | -19.9 | 31.7 | 0 | 0 | 0 | 111.9 | K12 Y495 H502 | K12-P500 PolarHBondContact NZ-O 3.39Å; Y495-P500 WeakPolarHBondContact O-CD 3.45Å; P500-H502 PolarHBondContact O-N 3.48Å |
| 501 | Y | 89.2 | Confident | 85.6 | Confident | 118 Ų | 118 | 75.4 Ų | 75.4 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -56.4 | -51.3 | 179.2 | -70 | -75.6 | 0 | 0 | 0 | 112.2 | R4 N10 K12 | R4-Y501 PolarHBondContact NH1-OH 2.82Å; R4-Y501 PolarHBondContact NH2-OH 3.42Å; N10-Y501 PolarHBondContact ND2-O 3.35Å; K12-Y501 PolarHBondContact NZ-O 3.47Å |
| 502 | H | 89.6 | Confident | 83.8 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 57% | 0.569 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -98.5 | 129.4 | 173.6 | -59.8 | -67.2 | 0 | 0 | 0 | 109.3 | P500 | P500-H502 PolarHBondContact O-N 3.48Š|
| 503 | T | 91.2 | Very high | 83.4 | Confident | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.012 | 44% | 0.441 | C | S | . | . | trans | -129.1 | 156.9 | 176.9 | 40 | 0 | 0 | 0 | 0 | 107.8 | K12 P89 Y495 P499 E505 | K12-T503 PolarHBondContact NZ-OG1 2.79Å; P89-T503 VanDerWaalsContact CA-O 3.25Å; P89-T503 WeakPolarHBondContact CA-O 3.28Å; P89-T503 WeakPolarHBondContact CB-O 3.47Å; Y495-T503 HydrophobicContact CD1-CG2 4.16Å; Y495-T503 HydrophobicContact CD2-CG2 3.72Å; Y495-T503 HydrophobicContact CE2-CG2 4.35Å; Y495-T503 HydrophobicContact CG-CG2 3.61Å; P499-T503 HydrophobicContact CB-CG2 4.02Å; T503-E505 PolarHBondContact O-N 2.86Å | ||
| 504 | F | 89.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 89.6 Ų | 89.6 | 4% | 0.035 | 46% | 0.462 | C | S | . | . | trans | 58.5 | 46.8 | 178 | -48.3 | -76.1 | 0 | 0 | 0 | 113.7 | L84 G87 A88 L494 Y495 E506 V508 | L84-F504 HydrophobicContact CD2-CE2 3.93Å; G87-F504 WeakPolarHBondContact O-CB 3.3Å; G87-F504 WeakPolarHBondContact O-CG 3.5Å; A88-F504 WeakPolarHBondContact O-CD2 3.39Å; L494-F504 HydrophobicContact CD2-CE1 4.36Å; Y495-F504 HydrophobicContact CD2-CE1 4.24Å; Y495-F504 HydrophobicContact CD2-CE2 4.27Å; Y495-F504 HydrophobicContact CD2-CZ 4.03Å; Y495-F504 AromaticContact CE2-CD1 3.55Å; Y495-F504 HydrophobicContact CE2-CD1 3.55Å; Y495-F504 HydrophobicContact CE2-CD2 4.19Å; Y495-F504 AromaticContact CE2-CE1 3.44Å; Y495-F504 HydrophobicContact CE2-CE1 3.44Å; Y495-F504 VanDerWaalsContact CE2-CE1 3.44Å; Y495-F504 HydrophobicContact CE2-CE2 4.02Å; Y495-F504 AromaticContact CE2-CG 3.96Å; Y495-F504 HydrophobicContact CE2-CG 3.96Å; Y495-F504 AromaticContact CE2-CZ 3.67Å; Y495-F504 HydrophobicContact CE2-CZ 3.67Å; Y495-F504 PolarHBondContact OH-N 3.25Å; F504-E506 CarbonylContact C-O 3.22Å; F504-E506 PolarHBondContact O-N 2.92Å; F504-V508 HydrophobicContact CD1-CG2 3.12Å; F504-V508 HydrophobicContact CE1-CG2 3.26Å; F504-V508 HydrophobicContact CG-CG2 4.24Å | ||
| 505 | E | 84.1 | Confident | 82.6 | Confident | 169 Ų | 169 | 89.7 Ų | 89.7 | 79% | 0.79 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -60.7 | -30.4 | 171.5 | -65.7 | -174.9 | 179.4 | 0 | 0 | 111.7 | T503 | T503-E505 PolarHBondContact O-N 2.86Š|
| 506 | E | 80.9 | Confident | 82.2 | Confident | 158 Ų | 158 | 89.7 Ų | 89.7 | 74% | 0.738 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -109.8 | 144.2 | 168.3 | -64 | -175.5 | 174.3 | 0 | 0 | 110.4 | F504 V508 | F504-E506 CarbonylContact C-O 3.22Å; F504-E506 PolarHBondContact O-N 2.92Å; E506-V508 PolarHBondContact O-N 2.65Å |
| 507 | P | 77.6 | Confident | 81.8 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 68% | 0.675 | 48% | 0.477 | S | S | * | . | trans | -58.3 | 134.1 | 177.2 | -23.6 | 33.2 | 0 | 0 | 0 | 112.2 | Y509 | P507-Y509 PolarHBondContact O-N 3.03Š| ||
| 508 | V | 77.4 | Confident | 81.1 | Confident | 23 Ų | 23 | 97.5 Ų | 97.5 | 14% | 0.139 | 50% | 0.495 | C | S | . | . | trans | -61.9 | 125.2 | 177 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | P172 L491 F504 E506 M510 | P172-V508 HydrophobicContact CG-CB 4.11Å; L491-V508 HydrophobicContact CD2-CG1 3.99Å; F504-V508 HydrophobicContact CD1-CG2 3.12Å; F504-V508 HydrophobicContact CE1-CG2 3.26Å; F504-V508 HydrophobicContact CG-CG2 4.24Å; E506-V508 PolarHBondContact O-N 2.65Å; V508-M510 HydrophobicContact CG1-CG 4.21Å; V508-M510 HydrophobicContact CG1-SD 4.5Å; V508-M510 PolarHBondContact O-N 3.21Å | ||
| 509 | Y | 72.4 | Confident | 80.2 | Confident | 196 Ų | 196 | 99.4 Ų | 99.4 | 77% | 0.769 | 50% | 0.498 | S | S | * | . | trans | -80.2 | 112.2 | 167.2 | -175.3 | -97.5 | 0 | 0 | 0 | 110.1 | P507 K511 | P507-Y509 PolarHBondContact O-N 3.03Å; Y509-K511 HydrophobicContact CE1-CB 4.38Å | ||
| 510 | M | 67.9 | Low | 79.1 | Confident | 58 Ų | 58 | 106 Ų | 106 | 29% | 0.286 | 53% | 0.53 | S | S | . | . | trans | -99.6 | 120 | 175.5 | -67.6 | -91.9 | -71.3 | 0 | 0 | 109 | A174 M175 L491 V508 | A174-M510 HydrophobicContact CB-CB 4.33Å; M175-M510 HydrophobicContact CE-CE 3.45Å; M175-M510 VanDerWaalsContact CE-CE 3.45Å; M175-M510 HydrophobicContact CE-SD 4.13Å; L491-M510 HydrophobicContact CD1-SD 4.24Å; V508-M510 HydrophobicContact CG1-CG 4.21Å; V508-M510 HydrophobicContact CG1-SD 4.5Å; V508-M510 PolarHBondContact O-N 3.21Å | ||
| 511 | K | 63.4 | Low | 77.9 | Confident | 184 Ų | 184 | 108.8 Ų | 108.8 | 80% | 0.8 | 53% | 0.534 | S | S | * | . | trans | -82.7 | 120.6 | 170.5 | -157.3 | 175 | -175.3 | 179 | 0 | 107.7 | Y509 | Y509-K511 HydrophobicContact CE1-CB 4.38Š| ||
| 512 | S | 52 | Low | 76.9 | Confident | 162 Ų | 162 | 107.9 Ų | 107.9 | 100% | 1.133 | 54% | 0.541 | S | S | * | . | trans | -51 | 0 | -175.2 | 61.7 | 0 | 0 | 0 | 0 | 114.3 |
Retrieved 512 of 512 residues in 378 ms
(Link to these results)