| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 70.4 | Confident | 83.5 | Confident | 113 Ų | 113 | 62.8 Ų | 62.8 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | 0 | 133.5 | 0 | -177.6 | 161.1 | 129.9 | 0 | 0 | 107.8 | V5 C6 L9 | M1-V5 VanDerWaalsContact CE-C 3.44Å; M1-V5 HydrophobicContact CE-CB 3.91Å; M1-V5 HydrophobicContact CE-CG1 3.6Å; M1-V5 HydrophobicContact CG-CB 4.1Å; M1-V5 HydrophobicContact CG-CG1 4.23Å; M1-V5 HydrophobicContact SD-CG1 4.17Å; M1-C6 HydrophobicContact CE-CB 3.85Å; M1-C6 VanDerWaalsContact CE-N 3.26Å; M1-L9 HydrophobicContact CE-CD1 3.42Å; M1-L9 VanDerWaalsContact CE-CD1 3.42Å; M1-L9 HydrophobicContact CE-CD2 4.17Å; M1-L9 HydrophobicContact CE-CG 3.74Å | |||
| 2 | P | 78.3 | Confident | 84 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | trans | -59.9 | 146.2 | 176.3 | -18.9 | 30.9 | 0 | 0 | 0 | 110.7 | D4 V5 C6 | P2-D4 VanDerWaalsContact C-N 3.32Å; P2-D4 PolarHBondContact O-N 2.67Å; P2-V5 HydrophobicContact CB-CG2 4.18Å; P2-V5 HydrophobicContact CG-CG2 4.21Å; P2-V5 PolarHBondContact O-N 3.25Å; P2-C6 PolarHBondContact O-N 3.4Å | ||
| 3 | V | 80.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.1 | -35.8 | -174.9 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | V5 C6 L7 I21 L33 L36 | V3-V5 PolarHBondContact O-N 3.35Å; V3-C6 CarbonylContact O-C 3.58Å; V3-C6 WeakPolarHBondContact O-CA 3.31Å; V3-C6 VanDerWaalsContact O-CB 3.24Å; V3-C6 WeakPolarHBondContact O-CB 3.24Å; V3-C6 PolarHBondContact O-N 3.44Å; V3-L7 HydrophobicContact CG1-CD1 3.98Å; V3-L7 HydrophobicContact CG1-CD2 4.35Å; V3-L7 HydrophobicContact CG1-CG 3.89Å; V3-L7 WeakPolarHBondContact O-CG 3.42Å; V3-L7 PolarHBondContact O-N 2.81Å; V3-I21 HydrophobicContact CG2-CD1 4.21Å; V3-I21 HydrophobicContact CG2-CG2 4.38Å; V3-L33 HydrophobicContact CB-CD2 3.64Å; V3-L33 HydrophobicContact CG1-CD2 3.79Å; V3-L33 HydrophobicContact CG2-CD1 3.59Å; V3-L33 HydrophobicContact CG2-CD2 3.34Å; V3-L33 HydrophobicContact CG2-CG 4.06Å; V3-L36 HydrophobicContact CG1-CD2 4.19Å |
| 4 | D | 80.8 | Confident | 85.1 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.5 | -38.5 | 177.7 | -54.1 | -41.7 | 0 | 0 | 0 | 112.1 | P2 C6 S8 | P2-D4 VanDerWaalsContact C-N 3.32Å; P2-D4 PolarHBondContact O-N 2.67Å; D4-C6 VanDerWaalsContact C-N 3.35Å; D4-S8 PolarHBondContact O-N 3.24Å |
| 5 | V | 84.8 | Confident | 85.6 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 174.1 | -172.5 | 0 | 0 | 0 | 0 | 110 | M1 P2 V3 L7 S8 | M1-V5 VanDerWaalsContact CE-C 3.44Å; M1-V5 HydrophobicContact CE-CB 3.91Å; M1-V5 HydrophobicContact CE-CG1 3.6Å; M1-V5 HydrophobicContact CG-CB 4.1Å; M1-V5 HydrophobicContact CG-CG1 4.23Å; M1-V5 HydrophobicContact SD-CG1 4.17Å; P2-V5 HydrophobicContact CB-CG2 4.18Å; P2-V5 HydrophobicContact CG-CG2 4.21Å; P2-V5 PolarHBondContact O-N 3.25Å; V3-V5 PolarHBondContact O-N 3.35Å; V5-L7 PolarHBondContact O-N 3.07Å; V5-S8 PolarHBondContact O-N 3.1Å; V5-S8 PolarHBondContact O-OG 3.48Å |
| 6 | C | 85.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | M1 P2 V3 D4 S8 L9 R14 E17 I21 | M1-C6 HydrophobicContact CE-CB 3.85Å; M1-C6 VanDerWaalsContact CE-N 3.26Å; P2-C6 PolarHBondContact O-N 3.4Å; V3-C6 CarbonylContact O-C 3.58Å; V3-C6 WeakPolarHBondContact O-CA 3.31Å; V3-C6 VanDerWaalsContact O-CB 3.24Å; V3-C6 WeakPolarHBondContact O-CB 3.24Å; V3-C6 PolarHBondContact O-N 3.44Å; D4-C6 VanDerWaalsContact C-N 3.35Å; C6-S8 PolarHBondContact O-N 3.14Å; C6-L9 VanDerWaalsContact O-CB 3.31Å; C6-L9 WeakPolarHBondContact O-CB 3.35Å; C6-L9 PolarHBondContact O-N 2.86Å; C6-L9 VanDerWaalsContact O-N 3.07Å; C6-R14 WeakPolarHBondContact O-CG 3.37Å; C6-E17 WeakPolarHBondContact SG-CB 3.3Å; C6-I21 HydrophobicContact CB-CD1 4.07Å |
| 7 | L | 85.1 | Confident | 86.2 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.8 | -17.2 | 178.8 | -60.8 | -179.7 | 0 | 0 | 0 | 113.3 | V3 V5 R14 L18 L36 N40 | V3-L7 HydrophobicContact CG1-CD1 3.98Å; V3-L7 HydrophobicContact CG1-CD2 4.35Å; V3-L7 HydrophobicContact CG1-CG 3.89Å; V3-L7 WeakPolarHBondContact O-CG 3.42Å; V3-L7 PolarHBondContact O-N 2.81Å; V5-L7 PolarHBondContact O-N 3.07Å; L7-R14 PolarHBondContact O-NE 3.22Å; L7-R14 VanDerWaalsContact O-NE 3.14Å; L7-R14 PolarHBondContact O-NH2 3.18Å; L7-R14 VanDerWaalsContact O-NH2 3.1Å; L7-L18 HydrophobicContact CD2-CD1 4.37Å; L7-L18 HydrophobicContact CD2-CD2 4.25Å; L7-L36 HydrophobicContact CD1-CD1 4.22Å; L7-L36 HydrophobicContact CD1-CD2 3.67Å; L7-L36 HydrophobicContact CD1-CG 3.66Å; L7-N40 HydrophobicContact CD1-CB 4.4Å; L7-N40 HydrophobicContact CD2-CB 4.04Å |
| 8 | S | 85.7 | Confident | 86.5 | Confident | 89 Ų | 89 | 56 Ų | 56 | 62% | 0.622 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -85.2 | -12.1 | 173.3 | 76 | 0 | 0 | 0 | 0 | 114.2 | D4 V5 C6 | D4-S8 PolarHBondContact O-N 3.24Å; V5-S8 PolarHBondContact O-N 3.1Å; V5-S8 PolarHBondContact O-OG 3.48Å; C6-S8 PolarHBondContact O-N 3.14Å |
| 9 | L | 89.5 | Confident | 86.7 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -68.2 | 158 | 179.6 | -67.4 | 179.9 | 0 | 0 | 0 | 112.2 | M1 C6 D13 R14 E17 | M1-L9 HydrophobicContact CE-CD1 3.42Å; M1-L9 VanDerWaalsContact CE-CD1 3.42Å; M1-L9 HydrophobicContact CE-CD2 4.17Å; M1-L9 HydrophobicContact CE-CG 3.74Å; C6-L9 VanDerWaalsContact O-CB 3.31Å; C6-L9 WeakPolarHBondContact O-CB 3.35Å; C6-L9 PolarHBondContact O-N 2.86Å; C6-L9 VanDerWaalsContact O-N 3.07Å; L9-D13 HydrophobicContact CB-CB 4.44Å; L9-D13 HydrophobicContact CD1-CB 4.27Å; L9-R14 HydrophobicContact CB-CB 4.12Å; L9-R14 PolarHBondContact O-NE 2.89Å; L9-R14 VanDerWaalsContact O-NE 3.12Å; L9-R14 PolarHBondContact O-NH2 3.36Å; L9-E17 HydrophobicContact CD1-CB 4.34Å; L9-E17 HydrophobicContact CD1-CG 3.91Å |
| 10 | P | 88.7 | Confident | 86.9 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 53% | 0.532 | 31% | 0.306 | S | S | . | . | trans | -51.8 | 145 | 164.7 | -24 | 34.1 | 0 | 0 | 0 | 111.2 | I12 D13 R14 | P10-I12 VanDerWaalsContact C-N 3.28Å; P10-I12 PolarHBondContact O-N 3.18Å; P10-I12 VanDerWaalsContact O-N 3.11Å; P10-D13 PolarHBondContact O-N 3.11Å; P10-R14 WeakPolarHBondContact O-CB 3.35Å; P10-R14 PolarHBondContact O-N 3.06Å | ||
| 11 | L | 88.7 | Confident | 86.9 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 25% | 0.251 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.9 | -41.1 | -168.8 | -70.9 | 174 | 0 | 0 | 0 | 113.9 | R14 V15 W49 L62 | L11-R14 WeakPolarHBondContact O-CB 3.47Å; L11-R14 PolarHBondContact O-N 3.48Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.14Å; L11-W49 HydrophobicContact CD2-CB 4.37Å; L11-W49 HydrophobicContact CD2-CD2 4.26Å; L11-W49 HydrophobicContact CD2-CG 3.83Å; L11-L62 HydrophobicContact CB-CD1 3.85Å; L11-L62 HydrophobicContact CD1-CD2 4.28Å |
| 12 | I | 89.9 | Confident | 87.8 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 21% | 0.205 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | -179 | -165 | 162.7 | 0 | 0 | 0 | 112.8 | P10 K16 Q61 L62 | P10-I12 VanDerWaalsContact C-N 3.28Å; P10-I12 PolarHBondContact O-N 3.18Å; P10-I12 VanDerWaalsContact O-N 3.11Å; I12-K16 WeakPolarHBondContact O-CG 3.41Å; I12-K16 PolarHBondContact O-N 2.91Å; I12-Q61 HydrophobicContact CD1-CG 4.14Å; I12-L62 HydrophobicContact CB-CD1 4Å |
| 13 | D | 91.2 | Very high | 88.2 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -76.5 | -36.3 | 179.2 | -62.9 | -36.6 | 0 | 0 | 0 | 110.4 | L9 P10 V15 K16 E17 | L9-D13 HydrophobicContact CB-CB 4.44Å; L9-D13 HydrophobicContact CD1-CB 4.27Å; P10-D13 PolarHBondContact O-N 3.11Å; D13-V15 VanDerWaalsContact C-N 3.35Å; D13-V15 PolarHBondContact O-N 3.29Å; D13-K16 PolarHBondContact O-N 2.84Å; D13-E17 WeakPolarHBondContact O-CB 3.36Å; D13-E17 WeakPolarHBondContact O-CG 3.12Å; D13-E17 PolarHBondContact O-N 3.12Å |
| 14 | R | 92.7 | Very high | 88.4 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.8 | -49.9 | 170.2 | -177.1 | -173.6 | -51.1 | 178.4 | 8.3 | 111.1 | C6 L7 L9 P10 L11 K16 E17 L18 N40 | C6-R14 WeakPolarHBondContact O-CG 3.37Å; L7-R14 PolarHBondContact O-NE 3.22Å; L7-R14 VanDerWaalsContact O-NE 3.14Å; L7-R14 PolarHBondContact O-NH2 3.18Å; L7-R14 VanDerWaalsContact O-NH2 3.1Å; L9-R14 HydrophobicContact CB-CB 4.12Å; L9-R14 PolarHBondContact O-NE 2.89Å; L9-R14 VanDerWaalsContact O-NE 3.12Å; L9-R14 PolarHBondContact O-NH2 3.36Å; P10-R14 WeakPolarHBondContact O-CB 3.35Å; P10-R14 PolarHBondContact O-N 3.06Å; L11-R14 WeakPolarHBondContact O-CB 3.47Å; L11-R14 PolarHBondContact O-N 3.48Å; R14-K16 PolarHBondContact O-N 3.44Å; R14-E17 PolarHBondContact O-N 2.88Å; R14-L18 HydrophobicContact CG-CD1 4Å; R14-L18 HydrophobicContact CG-CG 4.39Å; R14-L18 WeakPolarHBondContact O-CB 3.45Å; R14-L18 VanDerWaalsContact O-CG 3.23Å; R14-L18 WeakPolarHBondContact O-CG 3.18Å; R14-L18 PolarHBondContact O-N 3.16Å; R14-N40 PolarHBondContact NH1-OD1 3.33Å |
| 15 | V | 91.8 | Very high | 88.5 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | -179.6 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | L11 D13 S19 W49 I66 F69 | L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.14Å; D13-V15 VanDerWaalsContact C-N 3.35Å; D13-V15 PolarHBondContact O-N 3.29Å; V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.25Å; V15-W49 HydrophobicContact CG2-CH2 3.78Å; V15-W49 HydrophobicContact CG2-CZ2 4.5Å; V15-W49 HydrophobicContact CG2-CZ3 3.84Å; V15-I66 HydrophobicContact CG2-CG1 3.97Å; V15-F69 HydrophobicContact CG1-CB 3.59Å; V15-F69 HydrophobicContact CG1-CD1 4.26Å; V15-F69 HydrophobicContact CG1-CD2 4.4Å; V15-F69 HydrophobicContact CG1-CG 3.85Å |
| 16 | K | 90.8 | Very high | 88.4 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.4 | -71.1 | 171.9 | -173.9 | 166.4 | 0 | 111.9 | I12 D13 R14 S19 N20 | I12-K16 WeakPolarHBondContact O-CG 3.41Å; I12-K16 PolarHBondContact O-N 2.91Å; D13-K16 PolarHBondContact O-N 2.84Å; R14-K16 PolarHBondContact O-N 3.44Å; K16-S19 WeakPolarHBondContact O-CB 3.46Å; K16-S19 PolarHBondContact O-N 2.99Å; K16-N20 PolarHBondContact O-N 3.35Å; K16-N20 VanDerWaalsContact O-N 3.07Å |
| 17 | E | 90.9 | Very high | 88.1 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 179.1 | -72.7 | -54.1 | 134.6 | 0 | 0 | 112.1 | C6 L9 D13 R14 S19 N20 I21 | C6-E17 WeakPolarHBondContact SG-CB 3.3Å; L9-E17 HydrophobicContact CD1-CB 4.34Å; L9-E17 HydrophobicContact CD1-CG 3.91Å; D13-E17 WeakPolarHBondContact O-CB 3.36Å; D13-E17 WeakPolarHBondContact O-CG 3.12Å; D13-E17 PolarHBondContact O-N 3.12Å; R14-E17 PolarHBondContact O-N 2.88Å; E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.06Å; E17-N20 WeakPolarHBondContact O-CB 3.19Å; E17-N20 PolarHBondContact O-N 3.48Å; E17-N20 VanDerWaalsContact O-N 3.16Å; E17-I21 VanDerWaalsContact O-CG1 3.3Å; E17-I21 WeakPolarHBondContact O-CG1 3.35Å; E17-I21 PolarHBondContact O-N 3.41Å |
| 18 | L | 91.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 170.7 | -74.4 | 176.7 | 0 | 0 | 0 | 110.9 | L7 R14 N20 I21 F22 V37 W49 F69 | L7-L18 HydrophobicContact CD2-CD1 4.37Å; L7-L18 HydrophobicContact CD2-CD2 4.25Å; R14-L18 HydrophobicContact CG-CD1 4Å; R14-L18 HydrophobicContact CG-CG 4.39Å; R14-L18 WeakPolarHBondContact O-CB 3.45Å; R14-L18 VanDerWaalsContact O-CG 3.23Å; R14-L18 WeakPolarHBondContact O-CG 3.18Å; R14-L18 PolarHBondContact O-N 3.16Å; L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 3.39Å; L18-I21 PolarHBondContact O-N 2.95Å; L18-I21 VanDerWaalsContact O-N 3.13Å; L18-F22 HydrophobicContact CB-CD2 4.39Å; L18-F22 HydrophobicContact CD2-CE2 4.34Å; L18-F22 WeakPolarHBondContact O-CD2 3.13Å; L18-F22 PolarHBondContact O-N 3.08Å; L18-V37 HydrophobicContact CD1-CG1 4.36Å; L18-V37 HydrophobicContact CD2-CG2 4.01Å; L18-W49 HydrophobicContact CD1-CH2 4.07Å; L18-W49 HydrophobicContact CD1-CZ2 3.84Å; L18-F69 HydrophobicContact CB-CE2 4.22Å; L18-F69 HydrophobicContact CB-CZ 3.93Å |
| 19 | S | 90.8 | Very high | 87.8 | Confident | 27 Ų | 27 | 61 Ų | 61 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 175.4 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | V15 K16 E17 A23 | V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.25Å; K16-S19 WeakPolarHBondContact O-CB 3.46Å; K16-S19 PolarHBondContact O-N 2.99Å; E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.06Å; S19-A23 WeakPolarHBondContact O-CB 3.43Å; S19-A23 PolarHBondContact O-N 2.97Å |
| 20 | N | 90 | Very high | 87.6 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 175.2 | -70.6 | -28.1 | 0 | 0 | 0 | 112.8 | K16 E17 L18 A23 R24 | K16-N20 PolarHBondContact O-N 3.35Å; K16-N20 VanDerWaalsContact O-N 3.07Å; E17-N20 WeakPolarHBondContact O-CB 3.19Å; E17-N20 PolarHBondContact O-N 3.48Å; E17-N20 VanDerWaalsContact O-N 3.16Å; L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 3.39Å; N20-A23 PolarHBondContact O-N 2.78Å; N20-R24 PolarHBondContact O-N 3.4Å; N20-R24 VanDerWaalsContact O-N 3.14Å |
| 21 | I | 88 | Confident | 87.4 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 14% | 0.138 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 177.4 | -68.7 | 160.1 | 0 | 0 | 0 | 110.1 | V3 C6 E17 L18 A23 R24 G25 L33 | V3-I21 HydrophobicContact CG2-CD1 4.21Å; V3-I21 HydrophobicContact CG2-CG2 4.38Å; C6-I21 HydrophobicContact CB-CD1 4.07Å; E17-I21 VanDerWaalsContact O-CG1 3.3Å; E17-I21 WeakPolarHBondContact O-CG1 3.35Å; E17-I21 PolarHBondContact O-N 3.41Å; L18-I21 PolarHBondContact O-N 2.95Å; L18-I21 VanDerWaalsContact O-N 3.13Å; I21-A23 PolarHBondContact O-N 2.81Å; I21-R24 PolarHBondContact O-N 3.37Å; I21-G25 WeakPolarHBondContact O-CA 3.32Å; I21-G25 PolarHBondContact O-N 2.85Å; I21-L33 HydrophobicContact CG2-CD1 3.88Å |
| 22 | F | 88.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -29.6 | 177.7 | -81.8 | -74.8 | 0 | 0 | 0 | 112.6 | L18 L30 V37 F69 F76 V79 R83 | L18-F22 HydrophobicContact CB-CD2 4.39Å; L18-F22 HydrophobicContact CD2-CE2 4.34Å; L18-F22 WeakPolarHBondContact O-CD2 3.13Å; L18-F22 PolarHBondContact O-N 3.08Å; F22-L30 HydrophobicContact CD1-CD2 3.52Å; F22-L30 HydrophobicContact CE1-CD2 3.84Å; F22-L30 HydrophobicContact CG-CD2 4.27Å; F22-V37 HydrophobicContact CE2-CG1 4.19Å; F22-V37 HydrophobicContact CE2-CG2 4.06Å; F22-V37 HydrophobicContact CZ-CB 4.37Å; F22-V37 HydrophobicContact CZ-CG1 4.34Å; F22-V37 HydrophobicContact CZ-CG2 4.04Å; F22-F69 HydrophobicContact CD2-CE2 4.32Å; F22-F69 HydrophobicContact CD2-CZ 4.13Å; F22-F69 HydrophobicContact CE2-CZ 4.36Å; F22-F76 HydrophobicContact CD1-CD2 4.3Å; F22-F76 HydrophobicContact CD2-CD2 4.13Å; F22-F76 AromaticContact CE1-CD2 3.96Å; F22-F76 HydrophobicContact CE1-CD2 3.96Å; F22-F76 AromaticContact CE1-CE2 3.91Å; F22-F76 HydrophobicContact CE1-CE2 3.91Å; F22-F76 AromaticContact CE2-CD2 3.77Å; F22-F76 HydrophobicContact CE2-CD2 3.77Å; F22-F76 AromaticContact CE2-CE2 3.91Å; F22-F76 HydrophobicContact CE2-CE2 3.91Å; F22-F76 HydrophobicContact CG-CD2 4.42Å; F22-F76 AromaticContact CZ-CD2 3.71Å; F22-F76 HydrophobicContact CZ-CD2 3.71Å; F22-F76 AromaticContact CZ-CE2 3.49Å; F22-F76 HydrophobicContact CZ-CE2 3.49Å; F22-F76 VanDerWaalsContact CZ-CE2 3.49Å; F22-V79 HydrophobicContact CB-CG2 4.18Å; F22-V79 HydrophobicContact CD1-CB 4.17Å; F22-V79 HydrophobicContact CD1-CG1 3.88Å; F22-V79 HydrophobicContact CD1-CG2 4.48Å; F22-V79 WeakPolarHBondContact O-CG2 3.23Å; F22-R83 PolarHBondContact O-NH1 3.34Å |
| 23 | A | 85.8 | Confident | 87 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 45% | 0.446 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.3 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S19 N20 I21 | S19-A23 WeakPolarHBondContact O-CB 3.43Å; S19-A23 PolarHBondContact O-N 2.97Å; N20-A23 PolarHBondContact O-N 2.78Å; I21-A23 PolarHBondContact O-N 2.81Å |
| 24 | R | 85.5 | Confident | 86.9 | Confident | 220 Ų | 220 | 56.4 Ų | 56.4 | 83% | 0.83 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -108.2 | -16.2 | -173.4 | -64.3 | -178.2 | -179 | 174.6 | 1.9 | 114.5 | N20 I21 | N20-R24 PolarHBondContact O-N 3.4Å; N20-R24 VanDerWaalsContact O-N 3.14Å; I21-R24 PolarHBondContact O-N 3.37Å |
| 25 | G | 81.6 | Confident | 86.7 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | trans | -62.4 | 142.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I21 L30 R83 | I21-G25 WeakPolarHBondContact O-CA 3.32Å; I21-G25 PolarHBondContact O-N 2.85Å; G25-L30 WeakPolarHBondContact O-CD1 3.47Å; G25-R83 PolarHBondContact O-NH1 2.89Å; G25-R83 VanDerWaalsContact O-NH1 3.14Å; G25-R83 PolarHBondContact O-NH2 3.14Å | ||
| 26 | N | 84.4 | Confident | 86.6 | Confident | 77 Ų | 77 | 60.8 Ų | 60.8 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | trans | -73.9 | 158.7 | 169.7 | 71.4 | 40 | 0 | 0 | 0 | 110.1 | Q28 E29 L30 | N26-Q28 VanDerWaalsContact C-N 3.33Å; N26-Q28 PolarHBondContact O-N 2.75Å; N26-Q28 PolarHBondContact OD1-N 3.44Å; N26-E29 PolarHBondContact ND2-OE1 2.84Å; N26-E29 PolarHBondContact ND2-OE2 3.13Å; N26-E29 PolarHBondContact O-N 3.48Å; N26-E29 WeakPolarHBondContact OD1-CB 3.34Å; N26-E29 WeakPolarHBondContact OD1-CG 3.05Å; N26-E29 PolarHBondContact OD1-N 3.41Å; N26-L30 WeakPolarHBondContact O-CB 3.21Å; N26-L30 WeakPolarHBondContact O-CG 3.48Å; N26-L30 PolarHBondContact O-N 3.31Å | ||
| 27 | L | 78.5 | Confident | 86.7 | Confident | 46 Ų | 46 | 56 Ų | 56 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | -173.1 | -78.8 | 147.8 | 0 | 0 | 0 | 113.6 | L30 H31 R83 L84 F88 | L27-L30 PolarHBondContact O-N 3.3Å; L27-H31 WeakPolarHBondContact O-CB 3.4Å; L27-H31 PolarHBondContact O-N 3.05Å; L27-R83 HydrophobicContact CD2-CB 4.4Å; L27-L84 HydrophobicContact CD2-CD2 4.22Å; L27-F88 HydrophobicContact CD1-CD2 3.89Å; L27-F88 HydrophobicContact CD1-CE2 3.3Å; L27-F88 HydrophobicContact CD1-CZ 4.02Å; L27-F88 HydrophobicContact CD2-CD2 3.85Å; L27-F88 HydrophobicContact CD2-CE2 4.14Å; L27-F88 HydrophobicContact CG-CD2 4.45Å; L27-F88 HydrophobicContact CG-CE2 4.3Å |
| 28 | Q | 80.6 | Confident | 86.7 | Confident | 153 Ų | 153 | 52.8 Ų | 52.8 | 72% | 0.715 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -70.1 | -40 | -177.6 | -171.3 | 174.6 | 2.6 | 0 | 0 | 111.9 | N26 N32 | N26-Q28 VanDerWaalsContact C-N 3.33Å; N26-Q28 PolarHBondContact O-N 2.75Å; N26-Q28 PolarHBondContact OD1-N 3.44Å; Q28-N32 PolarHBondContact O-N 2.95Å; Q28-N32 PolarHBondContact O-ND2 3.28Å |
| 29 | E | 82.9 | Confident | 86.7 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -52.3 | 170.3 | -74.7 | 164.8 | -167.4 | 0 | 0 | 109.7 | N26 H31 N32 L33 | N26-E29 PolarHBondContact ND2-OE1 2.84Å; N26-E29 PolarHBondContact ND2-OE2 3.13Å; N26-E29 PolarHBondContact O-N 3.48Å; N26-E29 WeakPolarHBondContact OD1-CB 3.34Å; N26-E29 WeakPolarHBondContact OD1-CG 3.05Å; N26-E29 PolarHBondContact OD1-N 3.41Å; E29-H31 VanDerWaalsContact C-N 3.28Å; E29-H31 PolarHBondContact O-N 2.84Å; E29-N32 PolarHBondContact O-N 2.93Å; E29-N32 VanDerWaalsContact O-N 3.08Å; E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 3.3Å |
| 30 | L | 85.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.5 | -42.4 | -178.2 | -69.1 | 173.9 | 0 | 0 | 0 | 112.4 | F22 G25 N26 L27 N32 L33 V34 V79 L84 | F22-L30 HydrophobicContact CD1-CD2 3.52Å; F22-L30 HydrophobicContact CE1-CD2 3.84Å; F22-L30 HydrophobicContact CG-CD2 4.27Å; G25-L30 WeakPolarHBondContact O-CD1 3.47Å; N26-L30 WeakPolarHBondContact O-CB 3.21Å; N26-L30 WeakPolarHBondContact O-CG 3.48Å; N26-L30 PolarHBondContact O-N 3.31Å; L27-L30 PolarHBondContact O-N 3.3Å; L30-N32 PolarHBondContact O-N 3.07Å; L30-L33 PolarHBondContact O-N 3.31Å; L30-L33 VanDerWaalsContact O-N 3.15Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.2Å; L30-V34 PolarHBondContact O-N 2.75Å; L30-V34 VanDerWaalsContact O-N 3.1Å; L30-V79 HydrophobicContact CD1-CG1 3.86Å; L30-V79 HydrophobicContact CD2-CG1 4.49Å; L30-L84 HydrophobicContact CB-CD1 4.42Å; L30-L84 HydrophobicContact CB-CD2 4.09Å |
| 31 | H | 83.9 | Confident | 86.9 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 27% | 0.269 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.7 | -49.9 | 175.5 | 173 | 33.5 | 0 | 0 | 0 | 112.3 | L27 E29 L33 V34 I91 H93 | L27-H31 WeakPolarHBondContact O-CB 3.4Å; L27-H31 PolarHBondContact O-N 3.05Å; E29-H31 VanDerWaalsContact C-N 3.28Å; E29-H31 PolarHBondContact O-N 2.84Å; H31-L33 PolarHBondContact O-N 3.11Å; H31-V34 PolarHBondContact O-N 2.76Å; H31-I91 HydrophobicContact CB-CG2 4.34Å; H31-I91 VanDerWaalsContact CE1-CG2 3.44Å; H31-I91 WeakPolarHBondContact CE1-CG2 3.3Å; H31-I91 VanDerWaalsContact ND1-CG2 3.28Å; H31-I91 WeakPolarHBondContact ND1-CG2 3.42Å; H31-H93 AromaticContact CE1-CE1 3.45Å; H31-H93 PolarHBondContact CE1-CE1 3.21Å; H31-H93 VanDerWaalsContact CE1-CE1 3.45Å; H31-H93 AromaticContact CE1-ND1 3.35Å; H31-H93 PolarHBondContact CE1-ND1 3.3Å; H31-H93 AromaticContact ND1-CE1 3.01Å; H31-H93 PolarHBondContact ND1-CE1 3.5Å; H31-H93 AromaticContact ND1-ND1 3.44Å; H31-H93 PolarHBondContact ND1-ND1 2.81Å; H31-H93 AromaticContact ND1-NE2 3.94Å |
| 32 | N | 83.9 | Confident | 87.1 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 57% | 0.572 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.3 | -28.2 | 179.3 | -67 | -22 | 0 | 0 | 0 | 112.1 | Q28 E29 L30 | Q28-N32 PolarHBondContact O-N 2.95Å; Q28-N32 PolarHBondContact O-ND2 3.28Å; E29-N32 PolarHBondContact O-N 2.93Å; E29-N32 VanDerWaalsContact O-N 3.08Å; L30-N32 PolarHBondContact O-N 3.07Å |
| 33 | L | 87.7 | Confident | 87.1 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.6 | -25.3 | -178.8 | -66.3 | 178.1 | 0 | 0 | 0 | 114 | V3 I21 E29 L30 H31 V35 L36 V37 | V3-L33 HydrophobicContact CB-CD2 3.64Å; V3-L33 HydrophobicContact CG1-CD2 3.79Å; V3-L33 HydrophobicContact CG2-CD1 3.59Å; V3-L33 HydrophobicContact CG2-CD2 3.34Å; V3-L33 HydrophobicContact CG2-CG 4.06Å; I21-L33 HydrophobicContact CG2-CD1 3.88Å; E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 3.3Å; L30-L33 PolarHBondContact O-N 3.31Å; L30-L33 VanDerWaalsContact O-N 3.15Å; H31-L33 PolarHBondContact O-N 3.11Å; L33-V35 PolarHBondContact O-N 3.25Å; L33-L36 PolarHBondContact O-N 2.95Å; L33-V37 WeakPolarHBondContact O-CB 3.24Å; L33-V37 VanDerWaalsContact O-CG2 3.27Å; L33-V37 WeakPolarHBondContact O-CG2 3.46Å; L33-V37 PolarHBondContact O-N 3.13Å |
| 34 | V | 89.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.2 | -53.7 | -176.1 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | L30 H31 L36 V37 V38 L80 L84 H93 Y127 | L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.2Å; L30-V34 PolarHBondContact O-N 2.75Å; L30-V34 VanDerWaalsContact O-N 3.1Å; H31-V34 PolarHBondContact O-N 2.76Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 2.65Å; V34-V37 PolarHBondContact O-N 2.98Å; V34-V38 HydrophobicContact CG1-CG2 4.09Å; V34-V38 WeakPolarHBondContact O-CB 3.19Å; V34-V38 WeakPolarHBondContact O-CG2 3.27Å; V34-V38 PolarHBondContact O-N 3.16Å; V34-L80 HydrophobicContact CB-CD2 4.49Å; V34-L80 HydrophobicContact CG1-CD2 3.97Å; V34-L80 HydrophobicContact CG2-CD2 3.68Å; V34-L84 HydrophobicContact CG2-CD1 3.29Å; V34-H93 WeakPolarHBondContact CB-NE2 3.33Å; V34-Y127 HydrophobicContact CG1-CD1 4.15Å; V34-Y127 HydrophobicContact CG1-CE1 4.48Å |
| 35 | V | 89 | Confident | 87 | Confident | 63 Ų | 63 | 44.1 Ų | 44.1 | 38% | 0.382 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | -176.6 | 177 | 0 | 0 | 0 | 0 | 110.8 | L33 D39 H93 Y127 | L33-V35 PolarHBondContact O-N 3.25Å; V35-D39 WeakPolarHBondContact O-CB 3.49Å; V35-D39 PolarHBondContact O-N 3.46Å; V35-H93 HydrophobicContact CG2-CB 4.29Å; V35-Y127 HydrophobicContact CG2-CE1 4.37Å |
| 36 | L | 89.5 | Confident | 87.2 | Confident | 67 Ų | 67 | 45.6 Ų | 45.6 | 35% | 0.351 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 179.5 | -176.7 | 68.3 | 0 | 0 | 0 | 112.4 | V3 L7 L33 V34 N40 | V3-L36 HydrophobicContact CG1-CD2 4.19Å; L7-L36 HydrophobicContact CD1-CD1 4.22Å; L7-L36 HydrophobicContact CD1-CD2 3.67Å; L7-L36 HydrophobicContact CD1-CG 3.66Å; L33-L36 PolarHBondContact O-N 2.95Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 2.65Å; L36-N40 WeakPolarHBondContact O-CB 3.36Å; L36-N40 PolarHBondContact O-N 3.44Å |
| 37 | V | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.9 | -41 | 179.8 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L18 F22 L33 V34 N40 I41 F76 | L18-V37 HydrophobicContact CD1-CG1 4.36Å; L18-V37 HydrophobicContact CD2-CG2 4.01Å; F22-V37 HydrophobicContact CE2-CG1 4.19Å; F22-V37 HydrophobicContact CE2-CG2 4.06Å; F22-V37 HydrophobicContact CZ-CB 4.37Å; F22-V37 HydrophobicContact CZ-CG1 4.34Å; F22-V37 HydrophobicContact CZ-CG2 4.04Å; L33-V37 WeakPolarHBondContact O-CB 3.24Å; L33-V37 VanDerWaalsContact O-CG2 3.27Å; L33-V37 WeakPolarHBondContact O-CG2 3.46Å; L33-V37 PolarHBondContact O-N 3.13Å; V34-V37 PolarHBondContact O-N 2.98Å; V37-N40 PolarHBondContact O-N 2.75Å; V37-I41 HydrophobicContact CG1-CD1 3.78Å; V37-I41 HydrophobicContact CG1-CG1 4.34Å; V37-I41 VanDerWaalsContact O-CG1 3.24Å; V37-I41 WeakPolarHBondContact O-CG1 3.29Å; V37-I41 PolarHBondContact O-N 3.37Å; V37-F76 HydrophobicContact CG1-CE2 3.85Å; V37-F76 HydrophobicContact CG1-CZ 4.09Å |
| 38 | V | 92.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | V34 N40 I41 F42 F76 Y127 Y128 A131 | V34-V38 HydrophobicContact CG1-CG2 4.09Å; V34-V38 WeakPolarHBondContact O-CB 3.19Å; V34-V38 WeakPolarHBondContact O-CG2 3.27Å; V34-V38 PolarHBondContact O-N 3.16Å; V38-N40 VanDerWaalsContact C-N 3.31Å; V38-N40 PolarHBondContact O-N 2.99Å; V38-I41 PolarHBondContact O-N 3.35Å; V38-F42 HydrophobicContact CG1-CD2 3.75Å; V38-F42 HydrophobicContact CG1-CE2 3.94Å; V38-F42 VanDerWaalsContact O-CD2 3.28Å; V38-F42 WeakPolarHBondContact O-CD2 3.33Å; V38-F42 PolarHBondContact O-N 3.45Å; V38-F76 HydrophobicContact CG2-CZ 4.03Å; V38-Y127 HydrophobicContact CB-CE1 3.84Å; V38-Y127 HydrophobicContact CG1-CD1 4.41Å; V38-Y127 HydrophobicContact CG1-CE1 3.69Å; V38-Y127 HydrophobicContact CG2-CD1 4.28Å; V38-Y127 HydrophobicContact CG2-CE1 3.97Å; V38-Y128 HydrophobicContact CG2-CD2 4.08Å; V38-A131 HydrophobicContact CG1-CB 3.43Å; V38-A131 VanDerWaalsContact CG1-CB 3.43Å |
| 39 | D | 90.6 | Very high | 88.2 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 174.2 | -175.7 | 64.9 | 0 | 0 | 0 | 111.8 | V35 G43 Y44 S45 | V35-D39 WeakPolarHBondContact O-CB 3.49Å; V35-D39 PolarHBondContact O-N 3.46Å; D39-G43 VanDerWaalsContact O-CA 3.24Å; D39-G43 WeakPolarHBondContact O-CA 3.32Å; D39-G43 PolarHBondContact O-N 3.2Å; D39-Y44 PolarHBondContact OD1-N 2.92Å; D39-S45 PolarHBondContact OD1-N 3.1Å; D39-S45 PolarHBondContact OD1-OG 3.34Å; D39-S45 VanDerWaalsContact OD2-CB 3.3Å; D39-S45 WeakPolarHBondContact OD2-CB 3.47Å; D39-S45 PolarHBondContact OD2-OG 3.15Å |
| 40 | N | 92 | Very high | 88.5 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.5 | -34.9 | 174.9 | -167.7 | -99 | 0 | 0 | 0 | 113.3 | L7 R14 L36 V37 V38 G48 W49 | L7-N40 HydrophobicContact CD1-CB 4.4Å; L7-N40 HydrophobicContact CD2-CB 4.04Å; R14-N40 PolarHBondContact NH1-OD1 3.33Å; L36-N40 WeakPolarHBondContact O-CB 3.36Å; L36-N40 PolarHBondContact O-N 3.44Å; V37-N40 PolarHBondContact O-N 2.75Å; V38-N40 VanDerWaalsContact C-N 3.31Å; V38-N40 PolarHBondContact O-N 2.99Å; N40-G48 CarbonylContact O-C 3.53Å; N40-G48 WeakPolarHBondContact O-CA 3.45Å; N40-W49 PolarHBondContact O-NE1 2.87Å; N40-W49 PolarHBondContact OD1-NE1 2.86Å |
| 41 | I | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -52.2 | 176.8 | -69.3 | 161.6 | 0 | 0 | 0 | 110.1 | V37 V38 W49 L51 L70 F76 | V37-I41 HydrophobicContact CG1-CD1 3.78Å; V37-I41 HydrophobicContact CG1-CG1 4.34Å; V37-I41 VanDerWaalsContact O-CG1 3.24Å; V37-I41 WeakPolarHBondContact O-CG1 3.29Å; V37-I41 PolarHBondContact O-N 3.37Å; V38-I41 PolarHBondContact O-N 3.35Å; I41-W49 HydrophobicContact CB-CD2 4.32Å; I41-W49 HydrophobicContact CD1-CH2 4.29Å; I41-W49 HydrophobicContact CG1-CD2 3.99Å; I41-W49 HydrophobicContact CG1-CE3 4.01Å; I41-W49 HydrophobicContact CG1-CH2 3.68Å; I41-W49 HydrophobicContact CG1-CZ2 3.63Å; I41-W49 HydrophobicContact CG1-CZ3 3.86Å; I41-W49 HydrophobicContact CG2-CD2 4.42Å; I41-W49 HydrophobicContact CG2-CE3 4.26Å; I41-W49 PolarHBondContact O-N 3.47Å; I41-L51 HydrophobicContact CG2-CD1 3.97Å; I41-L70 HydrophobicContact CD1-CD2 4Å; I41-L70 HydrophobicContact CG2-CD1 4.35Å; I41-F76 HydrophobicContact CD1-CE1 4.14Å; I41-F76 HydrophobicContact CD1-CZ 4.33Å |
| 42 | F | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -91 | -15.5 | -171.7 | -61.8 | -61.9 | 0 | 0 | 0 | 114.2 | V38 Y44 L51 Y128 A131 F132 Y135 W141 | V38-F42 HydrophobicContact CG1-CD2 3.75Å; V38-F42 HydrophobicContact CG1-CE2 3.94Å; V38-F42 VanDerWaalsContact O-CD2 3.28Å; V38-F42 WeakPolarHBondContact O-CD2 3.33Å; V38-F42 PolarHBondContact O-N 3.45Å; F42-Y44 HydrophobicContact CB-CD2 4.04Å; F42-Y44 HydrophobicContact CB-CE1 4.2Å; F42-Y44 HydrophobicContact CB-CE2 3.62Å; F42-Y44 HydrophobicContact CB-CG 4.49Å; F42-Y44 HydrophobicContact CD2-CE2 4.25Å; F42-Y44 HydrophobicContact CG-CE2 4.18Å; F42-L51 HydrophobicContact CD1-CD1 4.3Å; F42-L51 HydrophobicContact CE1-CD1 3.9Å; F42-Y128 HydrophobicContact CE2-CD2 4.06Å; F42-Y128 AromaticContact CE2-CE2 3.77Å; F42-Y128 HydrophobicContact CE2-CE2 3.77Å; F42-Y128 HydrophobicContact CZ-CD2 4.36Å; F42-Y128 AromaticContact CZ-CE2 3.68Å; F42-Y128 HydrophobicContact CZ-CE2 3.68Å; F42-A131 HydrophobicContact CD2-CB 3.88Å; F42-A131 HydrophobicContact CE2-CB 3.8Å; F42-F132 HydrophobicContact CE1-CB 4.29Å; F42-F132 AromaticContact CE1-CD2 3.78Å; F42-F132 HydrophobicContact CE1-CD2 3.78Å; F42-F132 HydrophobicContact CE1-CG 4.46Å; F42-F132 HydrophobicContact CE2-CB 4.46Å; F42-F132 VanDerWaalsContact CZ-CA 3.47Å; F42-F132 HydrophobicContact CZ-CB 3.71Å; F42-F132 AromaticContact CZ-CD2 3.77Å; F42-F132 HydrophobicContact CZ-CD2 3.77Å; F42-F132 HydrophobicContact CZ-CG 4.23Å; F42-Y135 HydrophobicContact CB-CD2 4.04Å; F42-Y135 HydrophobicContact CB-CE2 4.44Å; F42-Y135 AromaticContact CD1-CD2 3.51Å; F42-Y135 HydrophobicContact CD1-CD2 3.51Å; F42-Y135 HydrophobicContact CD1-CE2 4.11Å; F42-Y135 HydrophobicContact CD1-CG 4.06Å; F42-Y135 HydrophobicContact CE1-CD2 4.44Å; F42-Y135 HydrophobicContact CG-CD2 4.18Å; F42-W141 VanDerWaalsContact O-CE2 3.23Å; F42-W141 WeakPolarHBondContact O-CZ2 3.42Å; F42-W141 PolarHBondContact O-NE1 3Å |
| 43 | G | 88.3 | Confident | 89.5 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | 60.4 | 47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D39 G46 K140 | D39-G43 VanDerWaalsContact O-CA 3.24Å; D39-G43 WeakPolarHBondContact O-CA 3.32Å; D39-G43 PolarHBondContact O-N 3.2Å; G43-G46 CarbonylContact C-O 3.56Å; G43-K140 PolarHBondContact O-NZ 2.78Å; G43-K140 VanDerWaalsContact O-NZ 3.13Å | ||
| 44 | Y | 85.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 34 Ų | 34 | 16% | 0.157 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -73.9 | -35.3 | 174.8 | -64 | -47 | 0 | 0 | 0 | 111.5 | D39 F42 A131 Y135 Y138 | D39-Y44 PolarHBondContact OD1-N 2.92Å; F42-Y44 HydrophobicContact CB-CD2 4.04Å; F42-Y44 HydrophobicContact CB-CE1 4.2Å; F42-Y44 HydrophobicContact CB-CE2 3.62Å; F42-Y44 HydrophobicContact CB-CG 4.49Å; F42-Y44 HydrophobicContact CD2-CE2 4.25Å; F42-Y44 HydrophobicContact CG-CE2 4.18Å; Y44-A131 HydrophobicContact CE2-CB 4.28Å; Y44-A131 PolarHBondContact OH-O 2.89Å; Y44-Y135 VanDerWaalsContact OH-CA 3.23Å; Y44-Y135 WeakPolarHBondContact OH-CA 3.24Å; Y44-Y135 PolarHBondContact OH-N 3.41Å; Y44-Y135 VanDerWaalsContact OH-N 3.07Å; Y44-Y138 AromaticContact CD1-CD1 3.6Å; Y44-Y138 HydrophobicContact CD1-CD1 3.6Å; Y44-Y138 AromaticContact CD1-CD2 3.44Å; Y44-Y138 HydrophobicContact CD1-CD2 3.44Å; Y44-Y138 VanDerWaalsContact CD1-CD2 3.44Å; Y44-Y138 AromaticContact CD1-CE1 3.66Å; Y44-Y138 HydrophobicContact CD1-CE1 3.66Å; Y44-Y138 AromaticContact CD1-CE2 3.47Å; Y44-Y138 HydrophobicContact CD1-CE2 3.47Å; Y44-Y138 VanDerWaalsContact CD1-CE2 3.47Å; Y44-Y138 AromaticContact CD1-CG 3.5Å; Y44-Y138 HydrophobicContact CD1-CG 3.5Å; Y44-Y138 AromaticContact CD1-CZ 3.59Å; Y44-Y138 AromaticContact CE1-CD1 3.84Å; Y44-Y138 HydrophobicContact CE1-CD1 3.84Å; Y44-Y138 AromaticContact CE1-CD2 3.44Å; Y44-Y138 HydrophobicContact CE1-CD2 3.44Å; Y44-Y138 VanDerWaalsContact CE1-CD2 3.44Å; Y44-Y138 HydrophobicContact CE1-CE1 4.35Å; Y44-Y138 AromaticContact CE1-CE2 3.98Å; Y44-Y138 HydrophobicContact CE1-CE2 3.98Å; Y44-Y138 AromaticContact CE1-CG 3.36Å; Y44-Y138 HydrophobicContact CE1-CG 3.36Å; Y44-Y138 HydrophobicContact CG-CD2 4.3Å; Y44-Y138 HydrophobicContact CG-CE2 4Å; Y44-Y138 PolarHBondContact O-OH 3.13Å |
| 45 | S | 83.8 | Confident | 89.8 | Confident | 105 Ų | 105 | 35.3 Ų | 35.3 | 73% | 0.734 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -97.5 | -9.1 | 174.7 | -43.5 | 0 | 0 | 0 | 0 | 114 | D39 | D39-S45 PolarHBondContact OD1-N 3.1Å; D39-S45 PolarHBondContact OD1-OG 3.34Å; D39-S45 VanDerWaalsContact OD2-CB 3.3Å; D39-S45 WeakPolarHBondContact OD2-CB 3.47Å; D39-S45 PolarHBondContact OD2-OG 3.15Å |
| 46 | G | 84.1 | Confident | 89.8 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -152.2 | -153.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G43 K140 | G43-G46 CarbonylContact C-O 3.56Å; G46-K140 PolarHBondContact O-NZ 3.28Å |
| 47 | E | 83.2 | Confident | 89.8 | Confident | 177 Ų | 177 | 39.2 Ų | 39.2 | 83% | 0.827 | 25% | 0.245 | S | C | * | . | trans | -78.2 | -25.7 | -175.4 | -67.5 | -175.4 | 165.3 | 0 | 0 | 114.2 | W141 | E47-W141 VanDerWaalsContact O-CH2 3.32Å; E47-W141 WeakPolarHBondContact O-CH2 3.3Å | ||
| 48 | G | 88.9 | Confident | 89.7 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | trans | 68.3 | -171 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N40 | N40-G48 CarbonylContact O-C 3.53Å; N40-G48 WeakPolarHBondContact O-CA 3.45Å | ||
| 49 | W | 92.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | trans | -95.2 | 0.1 | 175.6 | -63.2 | 6 | 0 | 0 | 0 | 113 | L11 V15 L18 N40 I41 L51 I66 F69 L70 | L11-W49 HydrophobicContact CD2-CB 4.37Å; L11-W49 HydrophobicContact CD2-CD2 4.26Å; L11-W49 HydrophobicContact CD2-CG 3.83Å; V15-W49 HydrophobicContact CG2-CH2 3.78Å; V15-W49 HydrophobicContact CG2-CZ2 4.5Å; V15-W49 HydrophobicContact CG2-CZ3 3.84Å; L18-W49 HydrophobicContact CD1-CH2 4.07Å; L18-W49 HydrophobicContact CD1-CZ2 3.84Å; N40-W49 PolarHBondContact O-NE1 2.87Å; N40-W49 PolarHBondContact OD1-NE1 2.86Å; I41-W49 HydrophobicContact CB-CD2 4.32Å; I41-W49 HydrophobicContact CD1-CH2 4.29Å; I41-W49 HydrophobicContact CG1-CD2 3.99Å; I41-W49 HydrophobicContact CG1-CE3 4.01Å; I41-W49 HydrophobicContact CG1-CH2 3.68Å; I41-W49 HydrophobicContact CG1-CZ2 3.63Å; I41-W49 HydrophobicContact CG1-CZ3 3.86Å; I41-W49 HydrophobicContact CG2-CD2 4.42Å; I41-W49 HydrophobicContact CG2-CE3 4.26Å; I41-W49 PolarHBondContact O-N 3.47Å; W49-L51 HydrophobicContact CB-CD2 3.99Å; W49-L51 HydrophobicContact CE3-CD2 4.31Å; W49-L51 PolarHBondContact O-N 2.95Å; W49-I66 HydrophobicContact CE3-CG2 3.98Å; W49-I66 HydrophobicContact CZ3-CG2 3.96Å; W49-F69 HydrophobicContact CH2-CD1 4.21Å; W49-F69 HydrophobicContact CH2-CE1 4.01Å; W49-F69 HydrophobicContact CZ3-CD1 4.33Å; W49-L70 HydrophobicContact CZ3-CD1 4.33Å | ||
| 50 | A | 90.6 | Very high | 89.6 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | trans | 45.8 | 54.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | H52 A53 V54 | A50-H52 PolarHBondContact O-N 3.3Å; A50-A53 HydrophobicContact CB-CB 4.2Å; A50-A53 PolarHBondContact O-N 3.2Å; A50-V54 PolarHBondContact O-N 3.29Å | ||
| 51 | L | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.5 | -174.3 | -59.6 | 179.6 | 0 | 0 | 0 | 114.3 | I41 F42 W49 I66 L70 Y135 L154 Y155 | I41-L51 HydrophobicContact CG2-CD1 3.97Å; F42-L51 HydrophobicContact CD1-CD1 4.3Å; F42-L51 HydrophobicContact CE1-CD1 3.9Å; W49-L51 HydrophobicContact CB-CD2 3.99Å; W49-L51 HydrophobicContact CE3-CD2 4.31Å; W49-L51 PolarHBondContact O-N 2.95Å; L51-I66 HydrophobicContact CD2-CG2 4.23Å; L51-L70 HydrophobicContact CD1-CD1 4.46Å; L51-Y135 PolarHBondContact N-OH 3.13Å; L51-L154 HydrophobicContact CD2-CD2 4.06Å; L51-L154 PolarHBondContact O-N 3.17Å; L51-Y155 HydrophobicContact CB-CD2 4.46Å; L51-Y155 HydrophobicContact CD1-CD2 4.48Å; L51-Y155 PolarHBondContact O-N 2.87Å |
| 52 | H | 91.3 | Very high | 89.6 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.1 | 175.1 | 67 | -87.8 | 0 | 0 | 0 | 114 | A50 Y135 W141 L145 L150 S153 | A50-H52 PolarHBondContact O-N 3.3Å; H52-Y135 HydrophobicContact CB-CE1 4.3Å; H52-Y135 AromaticContact ND1-CE1 3.9Å; H52-Y135 AromaticContact ND1-CZ 3.7Å; H52-Y135 PolarHBondContact ND1-OH 3.43Å; H52-W141 AromaticContact CE1-CE3 3.52Å; H52-W141 AromaticContact CE1-CZ3 3.56Å; H52-L145 HydrophobicContact CB-CD2 3.39Å; H52-L150 HydrophobicContact CB-CD1 4.32Å; H52-S153 WeakPolarHBondContact O-CB 3.49Å |
| 53 | A | 89.2 | Confident | 89.7 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -17.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | A50 N55 | A50-A53 HydrophobicContact CB-CB 4.2Å; A50-A53 PolarHBondContact O-N 3.2Å; A53-N55 PolarHBondContact O-N 3.18Å |
| 54 | V | 91.3 | Very high | 89.9 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | trans | -79.2 | 112.7 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | A50 L62 F63 S153 L154 | A50-V54 PolarHBondContact O-N 3.29Å; V54-L62 HydrophobicContact CG1-CD2 4.46Å; V54-F63 HydrophobicContact CG1-CB 4.35Å; V54-F63 HydrophobicContact CG1-CD2 4.27Å; V54-S153 CarbonylContact O-C 3.46Å; V54-S153 WeakPolarHBondContact O-CA 3.3Å; V54-L154 HydrophobicContact CB-CB 4.11Å; V54-L154 HydrophobicContact CB-CD2 4.45Å; V54-L154 HydrophobicContact CG1-CB 4.32Å; V54-L154 HydrophobicContact CG1-CD2 4.28Å; V54-L154 PolarHBondContact O-N 3.18Å | ||
| 55 | N | 91.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 145.1 | 177.9 | -63.9 | -41.7 | 0 | 0 | 0 | 111.6 | A53 A57 D58 E59 N152 | A53-N55 PolarHBondContact O-N 3.18Å; N55-A57 VanDerWaalsContact C-N 3.26Å; N55-A57 PolarHBondContact O-N 3.16Å; N55-D58 HydrophobicContact CB-CB 4.48Å; N55-D58 WeakPolarHBondContact CB-OD2 3.23Å; N55-D58 PolarHBondContact ND2-OD2 2.93Å; N55-D58 PolarHBondContact O-N 3.43Å; N55-E59 PolarHBondContact O-N 3.46Å; N55-E59 VanDerWaalsContact O-N 3.13Å; N55-N152 PolarHBondContact OD1-O 2.95Å |
| 56 | E | 90.6 | Very high | 90.8 | Very high | 118 Ų | 118 | 53.6 Ų | 53.6 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.9 | 176.8 | -172.6 | 174.9 | -168.5 | 0 | 0 | 112.6 | P60 F63 | E56-P60 WeakPolarHBondContact O-CA 3.44Å; E56-P60 WeakPolarHBondContact O-CB 3.46Å; E56-P60 WeakPolarHBondContact O-CD 3.41Å; E56-F63 HydrophobicContact CB-CD1 3.93Å; E56-F63 HydrophobicContact CB-CD2 3.96Å; E56-F63 HydrophobicContact CB-CE1 4.06Å; E56-F63 HydrophobicContact CB-CE2 4.06Å; E56-F63 HydrophobicContact CB-CG 3.9Å; E56-F63 HydrophobicContact CB-CZ 4.12Å; E56-F63 HydrophobicContact CG-CD1 4.03Å; E56-F63 HydrophobicContact CG-CE1 4.29Å; E56-F63 HydrophobicContact CG-CG 4.35Å |
| 57 | A | 88.1 | Confident | 91.4 | Very high | 95 Ų | 95 | 56 Ų | 56 | 79% | 0.785 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -32.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N55 | N55-A57 VanDerWaalsContact C-N 3.26Å; N55-A57 PolarHBondContact O-N 3.16Å |
| 58 | D | 89.4 | Confident | 91.9 | Very high | 104 Ų | 104 | 54.5 Ų | 54.5 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -46.6 | -177.6 | -61.8 | -44.6 | 0 | 0 | 0 | 110.5 | N55 | N55-D58 HydrophobicContact CB-CB 4.48Å; N55-D58 WeakPolarHBondContact CB-OD2 3.23Å; N55-D58 PolarHBondContact ND2-OD2 2.93Å; N55-D58 PolarHBondContact O-N 3.43Å |
| 59 | E | 90.1 | Very high | 92.2 | Very high | 107 Ų | 107 | 53.8 Ų | 53.8 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | trans | -138.6 | 76.4 | -176.1 | -63.8 | -170.5 | 161.7 | 0 | 0 | 112.7 | N55 Q61 L62 F63 | N55-E59 PolarHBondContact O-N 3.46Å; N55-E59 VanDerWaalsContact O-N 3.13Å; E59-Q61 VanDerWaalsContact C-N 3.29Å; E59-Q61 PolarHBondContact O-N 3.23Å; E59-L62 HydrophobicContact CB-CB 4.09Å; E59-L62 PolarHBondContact O-N 3.21Å; E59-L62 WeakPolarHBondContact OE2-CD2 3.45Å; E59-F63 VanDerWaalsContact O-CB 3.3Å; E59-F63 WeakPolarHBondContact O-CB 3.42Å; E59-F63 PolarHBondContact O-N 2.97Å | ||
| 60 | P | 91.5 | Very high | 92.4 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63 | -33.6 | -172.9 | 23.2 | -33.8 | 0 | 0 | 0 | 113.2 | E56 G64 | E56-P60 WeakPolarHBondContact O-CA 3.44Å; E56-P60 WeakPolarHBondContact O-CB 3.46Å; E56-P60 WeakPolarHBondContact O-CD 3.41Å; P60-G64 PolarHBondContact O-N 3.13Å |
| 61 | Q | 92.7 | Very high | 92.5 | Very high | 146 Ų | 146 | 53.2 Ų | 53.2 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -73.6 | -40.1 | -178.2 | -161.1 | 178.2 | 13.8 | 0 | 0 | 112.3 | I12 E59 S65 | I12-Q61 HydrophobicContact CD1-CG 4.14Å; E59-Q61 VanDerWaalsContact C-N 3.29Å; E59-Q61 PolarHBondContact O-N 3.23Å; Q61-S65 WeakPolarHBondContact O-CB 3.23Å; Q61-S65 PolarHBondContact O-N 3.19Å; Q61-S65 VanDerWaalsContact O-N 3.11Å; Q61-S65 PolarHBondContact O-OG 3.42Å |
| 62 | L | 93 | Very high | 92.5 | Very high | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.3 | -47.5 | 174.7 | -178.8 | 66.4 | 0 | 0 | 0 | 110.2 | L11 I12 V54 E59 G64 S65 I66 | L11-L62 HydrophobicContact CB-CD1 3.85Å; L11-L62 HydrophobicContact CD1-CD2 4.28Å; I12-L62 HydrophobicContact CB-CD1 4Å; V54-L62 HydrophobicContact CG1-CD2 4.46Å; E59-L62 HydrophobicContact CB-CB 4.09Å; E59-L62 PolarHBondContact O-N 3.21Å; E59-L62 WeakPolarHBondContact OE2-CD2 3.45Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-G64 PolarHBondContact O-N 3.34Å; L62-S65 PolarHBondContact O-N 3.22Å; L62-S65 VanDerWaalsContact O-N 3.17Å; L62-I66 HydrophobicContact CD1-CD1 3.83Å; L62-I66 HydrophobicContact CD1-CG1 4.1Å; L62-I66 HydrophobicContact CD2-CD1 4.26Å; L62-I66 HydrophobicContact CG-CD1 3.75Å; L62-I66 HydrophobicContact CG-CG1 4.35Å; L62-I66 WeakPolarHBondContact O-CG1 3.28Å; L62-I66 PolarHBondContact O-N 3.39Å |
| 63 | F | 94.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.7 | -51.5 | 176.8 | -176.8 | -83.4 | 0 | 0 | 0 | 111.3 | V54 E56 E59 S65 R67 L154 T157 | V54-F63 HydrophobicContact CG1-CB 4.35Å; V54-F63 HydrophobicContact CG1-CD2 4.27Å; E56-F63 HydrophobicContact CB-CD1 3.93Å; E56-F63 HydrophobicContact CB-CD2 3.96Å; E56-F63 HydrophobicContact CB-CE1 4.06Å; E56-F63 HydrophobicContact CB-CE2 4.06Å; E56-F63 HydrophobicContact CB-CG 3.9Å; E56-F63 HydrophobicContact CB-CZ 4.12Å; E56-F63 HydrophobicContact CG-CD1 4.03Å; E56-F63 HydrophobicContact CG-CE1 4.29Å; E56-F63 HydrophobicContact CG-CG 4.35Å; E59-F63 VanDerWaalsContact O-CB 3.3Å; E59-F63 WeakPolarHBondContact O-CB 3.42Å; E59-F63 PolarHBondContact O-N 2.97Å; F63-S65 PolarHBondContact O-N 2.96Å; F63-R67 VanDerWaalsContact O-CB 3.23Å; F63-R67 WeakPolarHBondContact O-CB 3.36Å; F63-R67 PolarHBondContact O-N 2.91Å; F63-L154 HydrophobicContact CD1-CD1 4.46Å; F63-L154 HydrophobicContact CD2-CB 3.82Å; F63-L154 HydrophobicContact CD2-CD1 3.99Å; F63-L154 HydrophobicContact CD2-CG 4.41Å; F63-L154 HydrophobicContact CE1-CD1 4.3Å; F63-L154 VanDerWaalsContact CE2-CA 3.46Å; F63-L154 HydrophobicContact CE2-CB 3.69Å; F63-L154 HydrophobicContact CE2-CD1 3.83Å; F63-L154 HydrophobicContact CE2-CG 4.36Å; F63-L154 HydrophobicContact CG-CD1 4.31Å; F63-L154 HydrophobicContact CZ-CD1 3.98Å; F63-T157 HydrophobicContact CE1-CG2 4.48Å; F63-T157 HydrophobicContact CZ-CG2 4.03Å |
| 64 | G | 93.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P60 L62 R67 E68 | P60-G64 PolarHBondContact O-N 3.13Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-G64 PolarHBondContact O-N 3.34Å; G64-R67 PolarHBondContact O-N 2.74Å; G64-E68 WeakPolarHBondContact O-CB 3.44Å; G64-E68 PolarHBondContact O-N 3.32Å |
| 65 | S | 93.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | -179 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | Q61 L62 F63 F69 | Q61-S65 WeakPolarHBondContact O-CB 3.23Å; Q61-S65 PolarHBondContact O-N 3.19Å; Q61-S65 VanDerWaalsContact O-N 3.11Å; Q61-S65 PolarHBondContact O-OG 3.42Å; L62-S65 PolarHBondContact O-N 3.22Å; L62-S65 VanDerWaalsContact O-N 3.17Å; F63-S65 PolarHBondContact O-N 2.96Å; S65-F69 PolarHBondContact O-N 3.33Å |
| 66 | I | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 177.7 | -59 | 167.9 | 0 | 0 | 0 | 110.1 | V15 W49 L51 L62 E68 F69 L70 L154 | V15-I66 HydrophobicContact CG2-CG1 3.97Å; W49-I66 HydrophobicContact CE3-CG2 3.98Å; W49-I66 HydrophobicContact CZ3-CG2 3.96Å; L51-I66 HydrophobicContact CD2-CG2 4.23Å; L62-I66 HydrophobicContact CD1-CD1 3.83Å; L62-I66 HydrophobicContact CD1-CG1 4.1Å; L62-I66 HydrophobicContact CD2-CD1 4.26Å; L62-I66 HydrophobicContact CG-CD1 3.75Å; L62-I66 HydrophobicContact CG-CG1 4.35Å; L62-I66 WeakPolarHBondContact O-CG1 3.28Å; L62-I66 PolarHBondContact O-N 3.39Å; I66-E68 PolarHBondContact O-N 2.97Å; I66-F69 PolarHBondContact O-N 3.46Å; I66-L70 HydrophobicContact CG2-CD1 3.75Å; I66-L70 HydrophobicContact CG2-CG 4.19Å; I66-L70 PolarHBondContact O-N 3.17Å; I66-L154 HydrophobicContact CB-CD2 3.57Å; I66-L154 HydrophobicContact CD1-CD2 3.97Å; I66-L154 HydrophobicContact CG1-CD2 4.38Å; I66-L154 HydrophobicContact CG2-CD2 3.44Å; I66-L154 VanDerWaalsContact CG2-CD2 3.44Å |
| 67 | R | 95.8 | Very high | 92.3 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 33% | 0.328 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 177.5 | -171.9 | 179.1 | 178.7 | -174.9 | 2 | 111.4 | F63 G64 F69 L70 S71 L154 L158 D161 | F63-R67 VanDerWaalsContact O-CB 3.23Å; F63-R67 WeakPolarHBondContact O-CB 3.36Å; F63-R67 PolarHBondContact O-N 2.91Å; G64-R67 PolarHBondContact O-N 2.74Å; R67-F69 VanDerWaalsContact C-N 3.33Å; R67-F69 PolarHBondContact O-N 3.09Å; R67-L70 PolarHBondContact O-N 3.11Å; R67-S71 WeakPolarHBondContact O-CA 3.02Å; R67-S71 WeakPolarHBondContact O-CB 3.44Å; R67-S71 PolarHBondContact O-N 3.03Å; R67-L154 HydrophobicContact CB-CD1 3.79Å; R67-L154 HydrophobicContact CG-CD1 4.36Å; R67-L158 HydrophobicContact CG-CD2 4.29Å; R67-D161 IonicContact CZ-OD1 3.18Å; R67-D161 IonicContact CZ-OD2 3.76Å; R67-D161 IonicContact NE-OD1 3.91Å; R67-D161 IonicContact NE-OD2 2.8Å; R67-D161 PolarHBondContact NE-OD2 3Å; R67-D161 IonicContact NH2-OD1 3.73Å; R67-D161 PolarHBondContact NH2-OD1 3.48Å; R67-D161 IonicContact NH2-OD2 2.8Å; R67-D161 PolarHBondContact NH2-OD2 2.93Å |
| 68 | E | 93.7 | Very high | 92.3 | Very high | 146 Ų | 146 | 51.1 Ų | 51.1 | 68% | 0.682 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.1 | -44.8 | 177.4 | -172.8 | -178.3 | 173.3 | 0 | 0 | 111.3 | G64 I66 S71 G74 | G64-E68 WeakPolarHBondContact O-CB 3.44Å; G64-E68 PolarHBondContact O-N 3.32Å; I66-E68 PolarHBondContact O-N 2.97Å; E68-S71 PolarHBondContact O-OG 3.48Å; E68-G74 WeakPolarHBondContact O-CA 3.28Å |
| 69 | F | 95.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | -179.7 | 178.8 | -111 | 0 | 0 | 0 | 113.7 | V15 L18 F22 W49 S65 I66 R67 F76 | V15-F69 HydrophobicContact CG1-CB 3.59Å; V15-F69 HydrophobicContact CG1-CD1 4.26Å; V15-F69 HydrophobicContact CG1-CD2 4.4Å; V15-F69 HydrophobicContact CG1-CG 3.85Å; L18-F69 HydrophobicContact CB-CE2 4.22Å; L18-F69 HydrophobicContact CB-CZ 3.93Å; F22-F69 HydrophobicContact CD2-CE2 4.32Å; F22-F69 HydrophobicContact CD2-CZ 4.13Å; F22-F69 HydrophobicContact CE2-CZ 4.36Å; W49-F69 HydrophobicContact CH2-CD1 4.21Å; W49-F69 HydrophobicContact CH2-CE1 4.01Å; W49-F69 HydrophobicContact CZ3-CD1 4.33Å; S65-F69 PolarHBondContact O-N 3.33Å; I66-F69 PolarHBondContact O-N 3.46Å; R67-F69 VanDerWaalsContact C-N 3.33Å; R67-F69 PolarHBondContact O-N 3.09Å; F69-F76 HydrophobicContact CD1-CB 4.33Å; F69-F76 HydrophobicContact CD2-CB 4.29Å; F69-F76 HydrophobicContact CE1-CB 3.88Å; F69-F76 HydrophobicContact CE1-CD2 4.37Å; F69-F76 HydrophobicContact CE1-CG 4.07Å; F69-F76 HydrophobicContact CE2-CB 3.85Å; F69-F76 HydrophobicContact CZ-CB 3.63Å; F69-F76 AromaticContact CZ-CD2 3.93Å; F69-F76 HydrophobicContact CZ-CD2 3.93Å; F69-F76 AromaticContact CZ-CG 3.93Å; F69-F76 HydrophobicContact CZ-CG 3.93Å; F69-F76 WeakPolarHBondContact O-CB 3.36Å; F69-F76 PolarHBondContact O-N 3.45Å |
| 70 | L | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -93.5 | -3.9 | -177 | -62.8 | -177.3 | 0 | 0 | 0 | 114.2 | I41 W49 L51 I66 R67 F76 L77 L158 Y162 | I41-L70 HydrophobicContact CD1-CD2 4Å; I41-L70 HydrophobicContact CG2-CD1 4.35Å; W49-L70 HydrophobicContact CZ3-CD1 4.33Å; L51-L70 HydrophobicContact CD1-CD1 4.46Å; I66-L70 HydrophobicContact CG2-CD1 3.75Å; I66-L70 HydrophobicContact CG2-CG 4.19Å; I66-L70 PolarHBondContact O-N 3.17Å; R67-L70 PolarHBondContact O-N 3.11Å; L70-F76 HydrophobicContact CD2-CB 4.42Å; L70-F76 HydrophobicContact CD2-CD1 3.71Å; L70-F76 HydrophobicContact CD2-CE1 4.36Å; L70-F76 HydrophobicContact CD2-CG 4.33Å; L70-L77 WeakPolarHBondContact O-CD1 3.5Å; L70-L158 HydrophobicContact CB-CD1 4Å; L70-L158 HydrophobicContact CB-CD2 3.92Å; L70-L158 HydrophobicContact CD1-CD1 3.86Å; L70-Y162 WeakPolarHBondContact O-CE1 3.46Å; L70-Y162 PolarHBondContact O-OH 3.05Å |
| 71 | S | 93.6 | Very high | 92 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -59.3 | 159.3 | 177.9 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | R67 E68 N73 G74 L77 | R67-S71 WeakPolarHBondContact O-CA 3.02Å; R67-S71 WeakPolarHBondContact O-CB 3.44Å; R67-S71 PolarHBondContact O-N 3.03Å; E68-S71 PolarHBondContact O-OG 3.48Å; S71-N73 PolarHBondContact O-N 3.29Å; S71-N73 VanDerWaalsContact O-N 3.1Å; S71-G74 WeakPolarHBondContact O-CA 3.4Å; S71-G74 PolarHBondContact O-N 3.47Å; S71-G74 WeakPolarHBondContact OG-CA 3.38Å; S71-G74 PolarHBondContact OG-N 3.35Å; S71-L77 WeakPolarHBondContact O-CD1 3.33Å |
| 72 | P | 91.1 | Very high | 91.5 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 10% | 0.104 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -34.1 | 176.1 | -22.9 | 26 | 0 | 0 | 0 | 114.6 | D161 Y162 F165 | P72-D161 HydrophobicContact CG-CB 4.4Å; P72-Y162 HydrophobicContact CG-CD1 3.96Å; P72-Y162 HydrophobicContact CG-CE1 4.41Å; P72-F165 HydrophobicContact CB-CB 3.74Å; P72-F165 HydrophobicContact CB-CD1 3.54Å; P72-F165 HydrophobicContact CB-CD2 3.73Å; P72-F165 HydrophobicContact CB-CE1 3.99Å; P72-F165 HydrophobicContact CB-CE2 4.16Å; P72-F165 HydrophobicContact CB-CG 3.39Å; P72-F165 HydrophobicContact CB-CZ 4.27Å; P72-F165 HydrophobicContact CG-CB 3.51Å; P72-F165 HydrophobicContact CG-CD1 4.27Å; P72-F165 HydrophobicContact CG-CD2 4.23Å; P72-F165 HydrophobicContact CG-CG 3.77Å |
| 73 | N | 86.5 | Confident | 90.9 | Very high | 67 Ų | 67 | 33.8 Ų | 33.8 | 36% | 0.358 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.9 | 175.7 | -61.1 | -38.8 | 0 | 0 | 0 | 113 | S71 F165 V176 | S71-N73 PolarHBondContact O-N 3.29Å; S71-N73 VanDerWaalsContact O-N 3.1Å; N73-F165 WeakPolarHBondContact OD1-CE2 3.43Å; N73-V176 WeakPolarHBondContact OD1-CG1 3.18Å; N73-V176 WeakPolarHBondContact OD1-CG2 3.06Å |
| 74 | G | 90 | Very high | 90.3 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -68 | 154.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E68 S71 F76 L77 E78 | E68-G74 WeakPolarHBondContact O-CA 3.28Å; S71-G74 WeakPolarHBondContact O-CA 3.4Å; S71-G74 PolarHBondContact O-N 3.47Å; S71-G74 WeakPolarHBondContact OG-CA 3.38Å; S71-G74 PolarHBondContact OG-N 3.35Å; G74-F76 PolarHBondContact O-N 3.01Å; G74-L77 PolarHBondContact O-N 2.8Å; G74-E78 WeakPolarHBondContact O-CB 3.17Å; G74-E78 PolarHBondContact O-N 2.7Å |
| 75 | R | 89.4 | Confident | 89.7 | Confident | 130 Ų | 130 | 32 Ų | 32 | 49% | 0.491 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57.7 | -34.8 | -175.9 | -63 | -59 | 179.8 | 84.1 | 0.8 | 112.6 | V79 | R75-V79 VanDerWaalsContact O-CG2 3.3Å; R75-V79 WeakPolarHBondContact O-CG2 3.46Å; R75-V79 PolarHBondContact O-N 3.44Å; R75-V79 VanDerWaalsContact O-N 3.16Å |
| 76 | F | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -56.6 | 179.4 | -172.5 | -121.8 | 0 | 0 | 0 | 111.6 | F22 V37 V38 I41 F69 L70 G74 E78 V79 L80 Y128 | F22-F76 HydrophobicContact CD1-CD2 4.3Å; F22-F76 HydrophobicContact CD2-CD2 4.13Å; F22-F76 AromaticContact CE1-CD2 3.96Å; F22-F76 HydrophobicContact CE1-CD2 3.96Å; F22-F76 AromaticContact CE1-CE2 3.91Å; F22-F76 HydrophobicContact CE1-CE2 3.91Å; F22-F76 AromaticContact CE2-CD2 3.77Å; F22-F76 HydrophobicContact CE2-CD2 3.77Å; F22-F76 AromaticContact CE2-CE2 3.91Å; F22-F76 HydrophobicContact CE2-CE2 3.91Å; F22-F76 HydrophobicContact CG-CD2 4.42Å; F22-F76 AromaticContact CZ-CD2 3.71Å; F22-F76 HydrophobicContact CZ-CD2 3.71Å; F22-F76 AromaticContact CZ-CE2 3.49Å; F22-F76 HydrophobicContact CZ-CE2 3.49Å; F22-F76 VanDerWaalsContact CZ-CE2 3.49Å; V37-F76 HydrophobicContact CG1-CE2 3.85Å; V37-F76 HydrophobicContact CG1-CZ 4.09Å; V38-F76 HydrophobicContact CG2-CZ 4.03Å; I41-F76 HydrophobicContact CD1-CE1 4.14Å; I41-F76 HydrophobicContact CD1-CZ 4.33Å; F69-F76 HydrophobicContact CD1-CB 4.33Å; F69-F76 HydrophobicContact CD2-CB 4.29Å; F69-F76 HydrophobicContact CE1-CB 3.88Å; F69-F76 HydrophobicContact CE1-CD2 4.37Å; F69-F76 HydrophobicContact CE1-CG 4.07Å; F69-F76 HydrophobicContact CE2-CB 3.85Å; F69-F76 HydrophobicContact CZ-CB 3.63Å; F69-F76 AromaticContact CZ-CD2 3.93Å; F69-F76 HydrophobicContact CZ-CD2 3.93Å; F69-F76 AromaticContact CZ-CG 3.93Å; F69-F76 HydrophobicContact CZ-CG 3.93Å; F69-F76 WeakPolarHBondContact O-CB 3.36Å; F69-F76 PolarHBondContact O-N 3.45Å; L70-F76 HydrophobicContact CD2-CB 4.42Å; L70-F76 HydrophobicContact CD2-CD1 3.71Å; L70-F76 HydrophobicContact CD2-CE1 4.36Å; L70-F76 HydrophobicContact CD2-CG 4.33Å; G74-F76 PolarHBondContact O-N 3.01Å; F76-E78 VanDerWaalsContact C-N 3.3Å; F76-E78 PolarHBondContact O-N 3.07Å; F76-V79 PolarHBondContact O-N 3.09Å; F76-V79 VanDerWaalsContact O-N 3.15Å; F76-L80 HydrophobicContact CD1-CD1 4.2Å; F76-L80 HydrophobicContact CE1-CD1 3.73Å; F76-L80 HydrophobicContact CE1-CG 4.43Å; F76-L80 HydrophobicContact CE2-CD1 4.41Å; F76-L80 HydrophobicContact CE2-CD2 4.16Å; F76-L80 HydrophobicContact CE2-CG 4.38Å; F76-L80 HydrophobicContact CZ-CD1 3.84Å; F76-L80 HydrophobicContact CZ-CD2 4.26Å; F76-L80 HydrophobicContact CZ-CG 4.3Å; F76-L80 WeakPolarHBondContact O-CG 3.49Å; F76-L80 PolarHBondContact O-N 2.77Å; F76-Y128 HydrophobicContact CD1-CD2 4.49Å; F76-Y128 HydrophobicContact CD1-CE2 4.3Å; F76-Y128 AromaticContact CE1-CD2 3.59Å; F76-Y128 HydrophobicContact CE1-CD2 3.59Å; F76-Y128 AromaticContact CE1-CE2 3.68Å; F76-Y128 HydrophobicContact CE1-CE2 3.68Å; F76-Y128 HydrophobicContact CE1-CG 4.22Å; F76-Y128 HydrophobicContact CZ-CD2 4.4Å |
| 77 | L | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -32.2 | -179.1 | -77.4 | -176.2 | 0 | 0 | 0 | 113.1 | L70 S71 G74 L80 S81 F125 Y128 M129 Y162 | L70-L77 WeakPolarHBondContact O-CD1 3.5Å; S71-L77 WeakPolarHBondContact O-CD1 3.33Å; G74-L77 PolarHBondContact O-N 2.8Å; L77-L80 HydrophobicContact CD2-CD1 4.24Å; L77-L80 PolarHBondContact O-N 3.44Å; L77-S81 WeakPolarHBondContact O-CB 3.45Å; L77-S81 PolarHBondContact O-N 2.84Å; L77-S81 PolarHBondContact O-OG 3.04Å; L77-F125 HydrophobicContact CD2-CD2 4.22Å; L77-F125 HydrophobicContact CD2-CE2 4.12Å; L77-Y128 HydrophobicContact CD1-CE1 4.37Å; L77-Y128 HydrophobicContact CD2-CD1 3.47Å; L77-Y128 VanDerWaalsContact CD2-CD1 3.47Å; L77-Y128 HydrophobicContact CD2-CE1 3.59Å; L77-Y128 HydrophobicContact CD2-CG 4.31Å; L77-Y128 HydrophobicContact CG-CE1 4.31Å; L77-M129 HydrophobicContact CD1-CE 4.15Å; L77-M129 HydrophobicContact CD2-CE 4.05Å; L77-Y162 HydrophobicContact CD1-CD1 4.27Å; L77-Y162 HydrophobicContact CD1-CE1 3.46Å; L77-Y162 VanDerWaalsContact CD1-CE1 3.46Å |
| 78 | E | 88.8 | Confident | 86.4 | Confident | 70 Ų | 70 | 37.2 Ų | 37.2 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 172.1 | 177.4 | 162.3 | -123.1 | 0 | 0 | 111.7 | G74 F76 S81 S82 K180 | G74-E78 WeakPolarHBondContact O-CB 3.17Å; G74-E78 PolarHBondContact O-N 2.7Å; F76-E78 VanDerWaalsContact C-N 3.3Å; F76-E78 PolarHBondContact O-N 3.07Å; E78-S81 PolarHBondContact O-OG 2.96Å; E78-S82 WeakPolarHBondContact O-CA 3.44Å; E78-S82 WeakPolarHBondContact O-CB 3.33Å; E78-S82 PolarHBondContact O-N 2.69Å; E78-S82 PolarHBondContact O-OG 3.31Å; E78-K180 IonicContact OE1-NZ 2.82Å; E78-K180 PolarHBondContact OE1-NZ 3.08Å |
| 79 | V | 88.3 | Confident | 85.1 | Confident | 11 Ų | 11 | 32 Ų | 32 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -67.6 | -43.6 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | F22 L30 R75 F76 S81 R83 L84 | F22-V79 HydrophobicContact CB-CG2 4.18Å; F22-V79 HydrophobicContact CD1-CB 4.17Å; F22-V79 HydrophobicContact CD1-CG1 3.88Å; F22-V79 HydrophobicContact CD1-CG2 4.48Å; F22-V79 WeakPolarHBondContact O-CG2 3.23Å; L30-V79 HydrophobicContact CD1-CG1 3.86Å; L30-V79 HydrophobicContact CD2-CG1 4.49Å; R75-V79 VanDerWaalsContact O-CG2 3.3Å; R75-V79 WeakPolarHBondContact O-CG2 3.46Å; R75-V79 PolarHBondContact O-N 3.44Å; R75-V79 VanDerWaalsContact O-N 3.16Å; F76-V79 PolarHBondContact O-N 3.09Å; F76-V79 VanDerWaalsContact O-N 3.15Å; V79-S81 VanDerWaalsContact C-N 3.34Å; V79-S81 PolarHBondContact O-N 3.43Å; V79-R83 HydrophobicContact CG1-CB 4.3Å; V79-R83 WeakPolarHBondContact O-CB 3.14Å; V79-R83 PolarHBondContact O-N 3.5Å; V79-R83 VanDerWaalsContact O-N 3.09Å; V79-L84 HydrophobicContact CG1-CG 4.48Å; V79-L84 PolarHBondContact O-N 2.96Å |
| 80 | L | 89.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -59.9 | -45.4 | 178.1 | -62.7 | -168.5 | 0 | 0 | 0 | 111.7 | V34 F76 L77 L84 T85 A124 Y128 | V34-L80 HydrophobicContact CB-CD2 4.49Å; V34-L80 HydrophobicContact CG1-CD2 3.97Å; V34-L80 HydrophobicContact CG2-CD2 3.68Å; F76-L80 HydrophobicContact CD1-CD1 4.2Å; F76-L80 HydrophobicContact CE1-CD1 3.73Å; F76-L80 HydrophobicContact CE1-CG 4.43Å; F76-L80 HydrophobicContact CE2-CD1 4.41Å; F76-L80 HydrophobicContact CE2-CD2 4.16Å; F76-L80 HydrophobicContact CE2-CG 4.38Å; F76-L80 HydrophobicContact CZ-CD1 3.84Å; F76-L80 HydrophobicContact CZ-CD2 4.26Å; F76-L80 HydrophobicContact CZ-CG 4.3Å; F76-L80 WeakPolarHBondContact O-CG 3.49Å; F76-L80 PolarHBondContact O-N 2.77Å; L77-L80 HydrophobicContact CD2-CD1 4.24Å; L77-L80 PolarHBondContact O-N 3.44Å; L80-L84 HydrophobicContact CD2-CD1 3.9Å; L80-T85 WeakPolarHBondContact O-CB 3.19Å; L80-T85 PolarHBondContact O-N 2.95Å; L80-T85 PolarHBondContact O-OG1 3.49Å; L80-A124 HydrophobicContact CD2-CB 4.2Å; L80-Y128 HydrophobicContact CD1-CD2 4.48Å; L80-Y128 HydrophobicContact CD1-CG 3.92Å |
| 81 | S | 85.8 | Confident | 82.7 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -78.6 | -51.6 | -177.1 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | L77 E78 V79 T85 L86 | L77-S81 WeakPolarHBondContact O-CB 3.45Å; L77-S81 PolarHBondContact O-N 2.84Å; L77-S81 PolarHBondContact O-OG 3.04Å; E78-S81 PolarHBondContact O-OG 2.96Å; V79-S81 VanDerWaalsContact C-N 3.34Å; V79-S81 PolarHBondContact O-N 3.43Å; S81-T85 WeakPolarHBondContact O-CB 3.43Å; S81-L86 VanDerWaalsContact O-CG 3.31Å; S81-L86 WeakPolarHBondContact O-CG 3.38Å; S81-L86 PolarHBondContact O-N 3.49Å |
| 82 | S | 82.5 | Confident | 82 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -84.7 | -39.3 | -168.5 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | E78 L86 E87 | E78-S82 WeakPolarHBondContact O-CA 3.44Å; E78-S82 WeakPolarHBondContact O-CB 3.33Å; E78-S82 PolarHBondContact O-N 2.69Å; E78-S82 PolarHBondContact O-OG 3.31Å; S82-L86 WeakPolarHBondContact O-CB 3.22Å; S82-E87 WeakPolarHBondContact O-CG 3.16Å; S82-E87 PolarHBondContact O-N 3Å |
| 83 | R | 80.9 | Confident | 81.5 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -93.9 | -52.6 | -178.2 | -61.8 | -176.2 | 64.8 | -163.5 | -5.4 | 112.3 | F22 G25 L27 V79 E87 | F22-R83 PolarHBondContact O-NH1 3.34Å; G25-R83 PolarHBondContact O-NH1 2.89Å; G25-R83 VanDerWaalsContact O-NH1 3.14Å; G25-R83 PolarHBondContact O-NH2 3.14Å; L27-R83 HydrophobicContact CD2-CB 4.4Å; V79-R83 HydrophobicContact CG1-CB 4.3Å; V79-R83 WeakPolarHBondContact O-CB 3.14Å; V79-R83 PolarHBondContact O-N 3.5Å; V79-R83 VanDerWaalsContact O-N 3.09Å; R83-E87 WeakPolarHBondContact O-CB 3.32Å |
| 84 | L | 80.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -79.1 | -33.5 | -173.8 | -67.6 | 177.1 | 0 | 0 | 0 | 113.3 | L27 L30 V34 V79 L80 A124 | L27-L84 HydrophobicContact CD2-CD2 4.22Å; L30-L84 HydrophobicContact CB-CD1 4.42Å; L30-L84 HydrophobicContact CB-CD2 4.09Å; V34-L84 HydrophobicContact CG2-CD1 3.29Å; V79-L84 HydrophobicContact CG1-CG 4.48Å; V79-L84 PolarHBondContact O-N 2.96Å; L80-L84 HydrophobicContact CD2-CD1 3.9Å; L84-A124 HydrophobicContact CB-CB 3.79Å; L84-A124 HydrophobicContact CD1-CB 4.02Å |
| 85 | T | 80.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -95.1 | -45.6 | -177.8 | -51 | 0 | 0 | 0 | 0 | 112.9 | L80 S81 N123 I190 W217 | L80-T85 WeakPolarHBondContact O-CB 3.19Å; L80-T85 PolarHBondContact O-N 2.95Å; L80-T85 PolarHBondContact O-OG1 3.49Å; S81-T85 WeakPolarHBondContact O-CB 3.43Å; T85-N123 HydrophobicContact CG2-CB 3.89Å; T85-I190 HydrophobicContact CG2-CD1 3.88Å; T85-I190 HydrophobicContact CG2-CG1 4.34Å; T85-I190 HydrophobicContact CG2-CG2 4.27Å; T85-W217 HydrophobicContact CG2-CE3 4.49Å; T85-W217 HydrophobicContact CG2-CH2 3.49Å; T85-W217 VanDerWaalsContact CG2-CH2 3.49Å; T85-W217 HydrophobicContact CG2-CZ2 4.05Å; T85-W217 HydrophobicContact CG2-CZ3 3.75Å |
| 86 | L | 74.2 | Confident | 80.6 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -82.2 | -40.3 | -175.2 | -73.7 | 167.8 | 0 | 0 | 0 | 114.1 | S81 S82 I183 L184 I190 W217 | S81-L86 VanDerWaalsContact O-CG 3.31Å; S81-L86 WeakPolarHBondContact O-CG 3.38Å; S81-L86 PolarHBondContact O-N 3.49Å; S82-L86 WeakPolarHBondContact O-CB 3.22Å; L86-I183 HydrophobicContact CD1-CG2 4.33Å; L86-L184 HydrophobicContact CD1-CD2 4Å; L86-I190 HydrophobicContact CD2-CD1 3.55Å; L86-I190 HydrophobicContact CG-CD1 4.28Å; L86-W217 HydrophobicContact CG-CZ2 4.36Å |
| 87 | E | 72 | Confident | 79.7 | Confident | 111 Ų | 111 | 39 Ų | 39 | 52% | 0.519 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -75.9 | -31.4 | 179.3 | -63.6 | 170.3 | 177.5 | 0 | 0 | 112.3 | S82 R83 | S82-E87 WeakPolarHBondContact O-CG 3.16Å; S82-E87 PolarHBondContact O-N 3Å; R83-E87 WeakPolarHBondContact O-CB 3.32Å |
| 88 | F | 68.9 | Low | 78.6 | Confident | 100 Ų | 100 | 45.6 Ų | 45.6 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | trans | -137.8 | 77.9 | -176.7 | -69.1 | -88.8 | 0 | 0 | 0 | 113.3 | L27 S90 I91 | L27-F88 HydrophobicContact CD1-CD2 3.89Å; L27-F88 HydrophobicContact CD1-CE2 3.3Å; L27-F88 HydrophobicContact CD1-CZ 4.02Å; L27-F88 HydrophobicContact CD2-CD2 3.85Å; L27-F88 HydrophobicContact CD2-CE2 4.14Å; L27-F88 HydrophobicContact CG-CD2 4.45Å; L27-F88 HydrophobicContact CG-CE2 4.3Å; F88-S90 PolarHBondContact O-N 3.15Å; F88-I91 HydrophobicContact CB-CD1 3.75Å; F88-I91 HydrophobicContact CB-CG1 4.09Å; F88-I91 HydrophobicContact CG-CD1 4.43Å; F88-I91 PolarHBondContact O-N 3.37Å | ||
| 89 | P | 67.5 | Low | 78 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -8.9 | -177.5 | 26.1 | -34.5 | 0 | 0 | 0 | 114.7 | I91 Y92 I190 | P89-I91 VanDerWaalsContact C-N 3.3Å; P89-Y92 WeakPolarHBondContact O-CE2 3.47Å; P89-Y92 PolarHBondContact O-OH 2.95Å; P89-I190 HydrophobicContact CB-CG1 4.21Å |
| 90 | S | 68.5 | Low | 77.3 | Confident | 105 Ų | 105 | 43.3 Ų | 43.3 | 73% | 0.734 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.5 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 114.1 | F88 Y92 | F88-S90 PolarHBondContact O-N 3.15Å; S90-Y92 WeakPolarHBondContact O-CD2 3.36Å |
| 91 | I | 71.3 | Confident | 76.4 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 18% | 0.179 | 22% | 0.22 | C | C | . | . | trans | -90.2 | 117.9 | -177.9 | -59.4 | 177.6 | 0 | 0 | 0 | 109.6 | H31 F88 P89 | H31-I91 HydrophobicContact CB-CG2 4.34Å; H31-I91 VanDerWaalsContact CE1-CG2 3.44Å; H31-I91 WeakPolarHBondContact CE1-CG2 3.3Å; H31-I91 VanDerWaalsContact ND1-CG2 3.28Å; H31-I91 WeakPolarHBondContact ND1-CG2 3.42Å; F88-I91 HydrophobicContact CB-CD1 3.75Å; F88-I91 HydrophobicContact CB-CG1 4.09Å; F88-I91 HydrophobicContact CG-CD1 4.43Å; F88-I91 PolarHBondContact O-N 3.37Å; P89-I91 VanDerWaalsContact C-N 3.3Å | ||
| 92 | Y | 79.5 | Confident | 75.3 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | trans | -121.8 | 157.1 | 177.4 | -63.9 | -88.6 | 0 | 0 | 0 | 111.6 | P89 S90 L122 P191 | P89-Y92 WeakPolarHBondContact O-CE2 3.47Å; P89-Y92 PolarHBondContact O-OH 2.95Å; S90-Y92 WeakPolarHBondContact O-CD2 3.36Å; Y92-L122 CarbonylContact C-O 3.58Å; Y92-L122 VanDerWaalsContact CA-O 3.28Å; Y92-L122 WeakPolarHBondContact CA-O 3.22Å; Y92-P191 VanDerWaalsContact OH-CD 3.27Å; Y92-P191 WeakPolarHBondContact OH-CD 3.42Å; Y92-P191 WeakPolarHBondContact OH-CG 3.48Å | ||
| 93 | H | 81.5 | Confident | 74.4 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.023 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.2 | 178.9 | -57.5 | 2.5 | 0 | 0 | 0 | 108.2 | H31 V34 V35 F95 S121 L122 A124 Y127 | H31-H93 AromaticContact CE1-CE1 3.45Å; H31-H93 PolarHBondContact CE1-CE1 3.21Å; H31-H93 VanDerWaalsContact CE1-CE1 3.45Å; H31-H93 AromaticContact CE1-ND1 3.35Å; H31-H93 PolarHBondContact CE1-ND1 3.3Å; H31-H93 AromaticContact ND1-CE1 3.01Å; H31-H93 PolarHBondContact ND1-CE1 3.5Å; H31-H93 AromaticContact ND1-ND1 3.44Å; H31-H93 PolarHBondContact ND1-ND1 2.81Å; H31-H93 AromaticContact ND1-NE2 3.94Å; V34-H93 WeakPolarHBondContact CB-NE2 3.33Å; V35-H93 HydrophobicContact CG2-CB 4.29Å; H93-F95 PolarHBondContact O-N 3.37Å; H93-S121 WeakPolarHBondContact O-CA 3.36Å; H93-L122 PolarHBondContact N-O 2.7Å; H93-L122 PolarHBondContact O-N 3.3Å; H93-A124 WeakPolarHBondContact NE2-CB 3.23Å; H93-Y127 HydrophobicContact CB-CD2 3.75Å; H93-Y127 HydrophobicContact CB-CE2 4.27Å; H93-Y127 HydrophobicContact CB-CG 3.91Å |
| 94 | D | 84.3 | Confident | 73.7 | Confident | 95 Ų | 95 | 44 Ų | 44 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.2 | -175 | -77 | -10.7 | 0 | 0 | 0 | 110.3 | P119 | D94-P119 HydrophobicContact CB-CB 3.63Å; D94-P119 HydrophobicContact CB-CG 3.44Å; D94-P119 VanDerWaalsContact CB-CG 3.44Å; D94-P119 VanDerWaalsContact CG-CG 3.44Å |
| 95 | F | 83.9 | Confident | 72.8 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.9 | 174.4 | -163.9 | -91.3 | 0 | 0 | 0 | 110.6 | H93 L97 L99 L100 P119 L120 L122 Y127 F130 F229 | H93-F95 PolarHBondContact O-N 3.37Å; F95-L97 PolarHBondContact O-N 2.85Å; F95-L99 HydrophobicContact CE1-CB 3.79Å; F95-L99 HydrophobicContact CE1-CD1 4.06Å; F95-L99 HydrophobicContact CZ-CB 4.31Å; F95-L99 HydrophobicContact CZ-CD1 3.94Å; F95-L100 HydrophobicContact CD1-CD2 4.04Å; F95-L100 HydrophobicContact CD1-CG 4.48Å; F95-L100 HydrophobicContact CE1-CD2 3.98Å; F95-P119 WeakPolarHBondContact O-CB 3.39Å; F95-L120 HydrophobicContact CB-CB 4.37Å; F95-L120 PolarHBondContact N-O 2.74Å; F95-L120 PolarHBondContact O-N 2.87Å; F95-L122 HydrophobicContact CB-CD1 3.65Å; F95-L122 HydrophobicContact CB-CG 4.24Å; F95-L122 HydrophobicContact CD2-CD1 4.31Å; F95-L122 HydrophobicContact CG-CD1 3.97Å; F95-Y127 HydrophobicContact CB-CD2 4.24Å; F95-Y127 HydrophobicContact CB-CE2 4.45Å; F95-Y127 AromaticContact CD2-CD2 3.8Å; F95-Y127 HydrophobicContact CD2-CD2 3.8Å; F95-Y127 AromaticContact CD2-CE2 3.79Å; F95-Y127 HydrophobicContact CD2-CE2 3.79Å; F95-F130 HydrophobicContact CD1-CD1 4.28Å; F95-F130 HydrophobicContact CD2-CB 4.13Å; F95-F130 HydrophobicContact CE1-CD1 4.26Å; F95-F130 HydrophobicContact CE2-CB 3.75Å; F95-F130 HydrophobicContact CZ-CB 4Å; F95-F130 HydrophobicContact CZ-CD1 4.48Å; F95-F229 HydrophobicContact CE1-CE1 4.26Å; F95-F229 AromaticContact CE1-CZ 3.71Å; F95-F229 HydrophobicContact CE1-CZ 3.71Å; F95-F229 HydrophobicContact CZ-CE1 4.27Å; F95-F229 AromaticContact CZ-CZ 3.7Å; F95-F229 HydrophobicContact CZ-CZ 3.7Å |
| 96 | P | 78.4 | Confident | 72 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 29% | 0.292 | 25% | 0.253 | S | S | . | . | trans | -63.4 | 121.3 | -178.2 | -20.2 | 30.5 | 0 | 0 | 0 | 112.8 | W98 L99 | P96-W98 HydrophobicContact CB-CG 4.42Å; P96-W98 VanDerWaalsContact CB-NE1 3.3Å; P96-W98 PolarHBondContact O-N 2.76Å; P96-L99 HydrophobicContact CB-CD1 4.1Å; P96-L99 HydrophobicContact CB-CG 4.4Å; P96-L99 HydrophobicContact CG-CD1 4.07Å; P96-L99 WeakPolarHBondContact O-CB 3.38Å; P96-L99 PolarHBondContact O-N 3Å | ||
| 97 | L | 72.5 | Confident | 71.4 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -62.1 | -29.3 | -178.8 | -72.9 | 167.2 | 0 | 0 | 0 | 113.6 | F95 L99 L100 Q105 A108 R117 L120 | F95-L97 PolarHBondContact O-N 2.85Å; L97-L99 PolarHBondContact O-N 3.46Å; L97-L100 HydrophobicContact CD2-CD1 3.77Å; L97-L100 WeakPolarHBondContact O-CB 3.22Å; L97-L100 PolarHBondContact O-N 2.99Å; L97-Q105 WeakPolarHBondContact O-CG 3.48Å; L97-Q105 PolarHBondContact O-NE2 3.45Å; L97-A108 HydrophobicContact CD2-CB 4.41Å; L97-R117 WeakPolarHBondContact CD1-O 3.35Å; L97-L120 HydrophobicContact CD2-CB 3.81Å; L97-L120 HydrophobicContact CG-CB 4.48Å |
| 98 | W | 70.9 | Confident | 70.6 | Confident | 137 Ų | 137 | 47 Ų | 47 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -67 | -19.1 | -178.1 | 67.1 | -95.7 | 0 | 0 | 0 | 113.5 | P96 Y138 R234 | P96-W98 HydrophobicContact CB-CG 4.42Å; P96-W98 VanDerWaalsContact CB-NE1 3.3Å; P96-W98 PolarHBondContact O-N 2.76Å; W98-Y138 AromaticContact CH2-CE2 3.88Å; W98-Y138 HydrophobicContact CH2-CE2 3.88Å; W98-R234 PolarHBondContact O-NH2 2.74Å |
| 99 | L | 76 | Confident | 69.7 | Low | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -80.4 | -18 | 174.6 | -72.3 | 172 | 0 | 0 | 0 | 112.9 | F95 P96 L97 Y138 F229 | F95-L99 HydrophobicContact CE1-CB 3.79Å; F95-L99 HydrophobicContact CE1-CD1 4.06Å; F95-L99 HydrophobicContact CZ-CB 4.31Å; F95-L99 HydrophobicContact CZ-CD1 3.94Å; P96-L99 HydrophobicContact CB-CD1 4.1Å; P96-L99 HydrophobicContact CB-CG 4.4Å; P96-L99 HydrophobicContact CG-CD1 4.07Å; P96-L99 WeakPolarHBondContact O-CB 3.38Å; P96-L99 PolarHBondContact O-N 3Å; L97-L99 PolarHBondContact O-N 3.46Å; L99-Y138 HydrophobicContact CD2-CD2 3.76Å; L99-Y138 HydrophobicContact CD2-CE2 3.84Å; L99-F229 HydrophobicContact CB-CE1 4.48Å; L99-F229 WeakPolarHBondContact O-CE1 3.18Å |
| 100 | L | 73.3 | Confident | 68.8 | Low | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -78.6 | 163.3 | 178.8 | -56.6 | 177.4 | 0 | 0 | 0 | 111.3 | F95 L97 Q105 L120 F130 E228 F229 | F95-L100 HydrophobicContact CD1-CD2 4.04Å; F95-L100 HydrophobicContact CD1-CG 4.48Å; F95-L100 HydrophobicContact CE1-CD2 3.98Å; L97-L100 HydrophobicContact CD2-CD1 3.77Å; L97-L100 WeakPolarHBondContact O-CB 3.22Å; L97-L100 PolarHBondContact O-N 2.99Å; L100-Q105 HydrophobicContact CB-CG 4.44Å; L100-Q105 PolarHBondContact O-NE2 2.87Å; L100-L120 HydrophobicContact CD1-CB 4.26Å; L100-L120 HydrophobicContact CD1-CD2 3.54Å; L100-L120 HydrophobicContact CD2-CD2 4.39Å; L100-F130 HydrophobicContact CD2-CD1 4.03Å; L100-F130 HydrophobicContact CD2-CE1 3.82Å; L100-E228 WeakPolarHBondContact CB-OE1 3.37Å; L100-E228 HydrophobicContact CD2-CG 3.79Å; L100-F229 HydrophobicContact CD2-CZ 4.02Å |
| 101 | S | 70.5 | Confident | 67.8 | Low | 8 Ų | 8 | 49.3 Ų | 49.3 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | trans | -62.2 | 157.5 | 172.8 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | D103 S104 Q105 E228 S232 | S101-D103 VanDerWaalsContact C-N 3.26Å; S101-D103 PolarHBondContact O-N 2.82Å; S101-S104 PolarHBondContact O-N 2.9Å; S101-S104 PolarHBondContact OG-N 2.82Å; S101-S104 PolarHBondContact OG-OG 2.99Å; S101-Q105 WeakPolarHBondContact O-CG 3.28Å; S101-Q105 PolarHBondContact O-N 2.89Å; S101-E228 WeakPolarHBondContact CA-OE1 3.34Å; S101-E228 WeakPolarHBondContact CB-OE1 3.48Å; S101-E228 PolarHBondContact N-OE1 3.1Å; S101-E228 PolarHBondContact OG-OE1 2.87Å; S101-E228 PolarHBondContact OG-OE2 3.32Å; S101-S232 VanDerWaalsContact CB-CB 3.44Å | ||
| 102 | T | 63.6 | Low | 66.5 | Low | 31 Ų | 31 | 56.1 Ų | 56.1 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 176.4 | -49 | 0 | 0 | 0 | 0 | 111.5 | S104 Q105 N106 R234 | T102-S104 PolarHBondContact O-N 2.8Å; T102-Q105 PolarHBondContact O-N 3.36Å; T102-N106 WeakPolarHBondContact O-CB 3.38Å; T102-N106 PolarHBondContact O-N 2.89Å; T102-N106 PolarHBondContact O-ND2 3.37Å; T102-R234 WeakPolarHBondContact OG1-CG 3.48Å |
| 103 | D | 62.6 | Low | 64.6 | Low | 59 Ų | 59 | 56 Ų | 56 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.6 | -51.1 | 177.3 | -66.4 | -14.4 | 0 | 0 | 0 | 110.9 | S101 Q105 N106 S107 | S101-D103 VanDerWaalsContact C-N 3.26Å; S101-D103 PolarHBondContact O-N 2.82Å; D103-Q105 PolarHBondContact O-N 3.29Å; D103-N106 PolarHBondContact O-N 2.87Å; D103-S107 PolarHBondContact O-N 3.34Å; D103-S107 PolarHBondContact O-OG 2.89Å |
| 104 | S | 65.8 | Low | 62.8 | Low | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 179.8 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | S101 T102 A108 N195 E228 | S101-S104 PolarHBondContact O-N 2.9Å; S101-S104 PolarHBondContact OG-N 2.82Å; S101-S104 PolarHBondContact OG-OG 2.99Å; T102-S104 PolarHBondContact O-N 2.8Å; S104-A108 WeakPolarHBondContact O-CB 3.34Å; S104-A108 PolarHBondContact O-N 3.01Å; S104-N195 PolarHBondContact OG-ND2 3.23Å; S104-E228 WeakPolarHBondContact CB-OE1 3.11Å; S104-E228 VanDerWaalsContact OG-CD 3.23Å; S104-E228 PolarHBondContact OG-OE1 3.02Å; S104-E228 PolarHBondContact OG-OE2 3.45Å |
| 105 | Q | 63.1 | Low | 61 | Low | 36 Ų | 36 | 69 Ų | 69 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 171.1 | -70.9 | 178.7 | 40.3 | 0 | 0 | 110.6 | L97 L100 S101 T102 D103 A108 W109 | L97-Q105 WeakPolarHBondContact O-CG 3.48Å; L97-Q105 PolarHBondContact O-NE2 3.45Å; L100-Q105 HydrophobicContact CB-CG 4.44Å; L100-Q105 PolarHBondContact O-NE2 2.87Å; S101-Q105 WeakPolarHBondContact O-CG 3.28Å; S101-Q105 PolarHBondContact O-N 2.89Å; T102-Q105 PolarHBondContact O-N 3.36Å; D103-Q105 PolarHBondContact O-N 3.29Å; Q105-A108 WeakPolarHBondContact O-CB 3.49Å; Q105-A108 PolarHBondContact O-N 3.43Å; Q105-W109 PolarHBondContact O-N 3.46Å; Q105-W109 VanDerWaalsContact O-N 3.13Å |
| 106 | N | 63 | Low | 59.2 | Low | 81 Ų | 81 | 73.3 Ų | 73.3 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 179.5 | -70.6 | -14.5 | 0 | 0 | 0 | 111.7 | T102 D103 A108 W109 S110 | T102-N106 WeakPolarHBondContact O-CB 3.38Å; T102-N106 PolarHBondContact O-N 2.89Å; T102-N106 PolarHBondContact O-ND2 3.37Å; D103-N106 PolarHBondContact O-N 2.87Å; N106-A108 VanDerWaalsContact C-N 3.27Å; N106-A108 PolarHBondContact O-N 2.77Å; N106-W109 CarbonylContact O-C 3.6Å; N106-W109 WeakPolarHBondContact O-CA 3.38Å; N106-W109 PolarHBondContact O-N 2.92Å; N106-S110 PolarHBondContact O-N 3.13Å; N106-S110 PolarHBondContact O-OG 2.86Å; N106-S110 VanDerWaalsContact O-OG 3.1Å |
| 107 | S | 61.9 | Low | 57.8 | Low | 61 Ų | 61 | 77.4 Ų | 77.4 | 43% | 0.427 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -36.9 | 174.3 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | D103 W109 S110 | D103-S107 PolarHBondContact O-N 3.34Å; D103-S107 PolarHBondContact O-OG 2.89Å; S107-W109 PolarHBondContact O-N 3.41Å; S107-S110 PolarHBondContact O-N 3Å |
| 108 | A | 55.3 | Low | 56.9 | Low | 9 Ų | 9 | 81.8 Ų | 81.8 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.2 | -25.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L97 S104 Q105 N106 R117 | L97-A108 HydrophobicContact CD2-CB 4.41Å; S104-A108 WeakPolarHBondContact O-CB 3.34Å; S104-A108 PolarHBondContact O-N 3.01Å; Q105-A108 WeakPolarHBondContact O-CB 3.49Å; Q105-A108 PolarHBondContact O-N 3.43Å; N106-A108 VanDerWaalsContact C-N 3.27Å; N106-A108 PolarHBondContact O-N 2.77Å; A108-R117 WeakPolarHBondContact O-CD 3.17Å |
| 109 | W | 50.7 | Low | 56.7 | Low | 157 Ų | 157 | 77.7 Ų | 77.7 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -91.9 | -22.2 | -179.7 | -67.6 | 35.2 | 0 | 0 | 0 | 112.9 | Q105 N106 S107 G111 | Q105-W109 PolarHBondContact O-N 3.46Å; Q105-W109 VanDerWaalsContact O-N 3.13Å; N106-W109 CarbonylContact O-C 3.6Å; N106-W109 WeakPolarHBondContact O-CA 3.38Å; N106-W109 PolarHBondContact O-N 2.92Å; S107-W109 PolarHBondContact O-N 3.41Å; W109-G111 PolarHBondContact O-N 2.9Å; W109-G111 VanDerWaalsContact O-N 3.15Å; W109-G111 VanDerWaalsContact O-O 3.09Å |
| 110 | S | 48.2 | Very low | 56.7 | Low | 103 Ų | 103 | 77 Ų | 77 | 72% | 0.72 | 41% | 0.414 | S | S | * | . | trans | -71.2 | 0.2 | -177.4 | -67.8 | 0 | 0 | 0 | 0 | 115.7 | N106 S107 | N106-S110 PolarHBondContact O-N 3.13Å; N106-S110 PolarHBondContact O-OG 2.86Å; N106-S110 VanDerWaalsContact O-OG 3.1Å; S107-S110 PolarHBondContact O-N 3Å | ||
| 111 | G | 47.8 | Very low | 57 | Low | 31 Ų | 31 | 79.6 Ų | 79.6 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -74.5 | 151.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | W109 C113 | W109-G111 PolarHBondContact O-N 2.9Å; W109-G111 VanDerWaalsContact O-N 3.15Å; W109-G111 VanDerWaalsContact O-O 3.09Å; G111-C113 PolarHBondContact O-N 3.31Å |
| 112 | D | 44.2 | Very low | 57.7 | Low | 177 Ų | 177 | 79.3 Ų | 79.3 | 95% | 0.947 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -55.7 | 11.2 | 175.6 | -87.1 | -35.4 | 0 | 0 | 0 | 115.9 | K114 | D112-K114 PolarHBondContact O-N 2.91Š|
| 113 | C | 39.3 | Very low | 58.8 | Low | 74 Ų | 74 | 78.2 Ų | 78.2 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | trans | -80.3 | 100.7 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | G111 Q115 | G111-C113 PolarHBondContact O-N 3.31Å; C113-Q115 PolarHBondContact O-N 3.33Å | ||
| 114 | K | 43.7 | Very low | 60.1 | Low | 213 Ų | 213 | 75.4 Ų | 75.4 | 93% | 0.926 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -65.2 | 15.3 | 170.4 | -68.9 | -175.5 | 177 | 178.7 | 0 | 115 | D112 | D112-K114 PolarHBondContact O-N 2.91Š|
| 115 | Q | 45.5 | Very low | 61.3 | Low | 159 Ų | 159 | 75.4 Ų | 75.4 | 74% | 0.743 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -122.1 | 137.2 | 171.4 | -67 | -153.9 | 2.2 | 0 | 0 | 109.4 | C113 R117 | C113-Q115 PolarHBondContact O-N 3.33Å; Q115-R117 PolarHBondContact O-N 2.8Å |
| 116 | P | 47.5 | Very low | 62.5 | Low | 96 Ų | 96 | 73.8 Ų | 73.8 | 62% | 0.623 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 119.5 | 174.4 | 24.8 | -32 | 0 | 0 | 0 | 107 | T118 | P116-T118 PolarHBondContact O-N 3.33Å; P116-T118 VanDerWaalsContact O-N 3.09Å |
| 117 | R | 48.3 | Very low | 63.9 | Low | 131 Ų | 131 | 71 Ų | 71 | 49% | 0.494 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 125.7 | 173.9 | -78.8 | -175.1 | 174.5 | 162.6 | -3.6 | 107.5 | L97 A108 Q115 | L97-R117 WeakPolarHBondContact CD1-O 3.35Å; A108-R117 WeakPolarHBondContact O-CD 3.17Å; Q115-R117 PolarHBondContact O-N 2.8Å |
| 118 | T | 53.5 | Low | 65.4 | Low | 120 Ų | 120 | 68.1 Ų | 68.1 | 74% | 0.736 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 163.2 | 158.8 | 38.3 | 0 | 0 | 0 | 0 | 109.9 | P116 | P116-T118 PolarHBondContact O-N 3.33Å; P116-T118 VanDerWaalsContact O-N 3.09Å |
| 119 | P | 66.8 | Low | 67.3 | Low | 50 Ų | 50 | 67.7 Ų | 67.7 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -44.9 | 156.8 | -161.6 | 17.1 | -36.2 | 0 | 0 | 0 | 117 | D94 F95 S121 | D94-P119 HydrophobicContact CB-CB 3.63Å; D94-P119 HydrophobicContact CB-CG 3.44Å; D94-P119 VanDerWaalsContact CB-CG 3.44Å; D94-P119 VanDerWaalsContact CG-CG 3.44Å; F95-P119 WeakPolarHBondContact O-CB 3.39Å; P119-S121 PolarHBondContact O-N 3.34Å |
| 120 | L | 76.4 | Confident | 69.3 | Low | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 113 | 179.4 | 173.5 | 57.7 | 0 | 0 | 0 | 110.6 | F95 L97 L100 L122 F130 Y193 | F95-L120 HydrophobicContact CB-CB 4.37Å; F95-L120 PolarHBondContact N-O 2.74Å; F95-L120 PolarHBondContact O-N 2.87Å; L97-L120 HydrophobicContact CD2-CB 3.81Å; L97-L120 HydrophobicContact CG-CB 4.48Å; L100-L120 HydrophobicContact CD1-CB 4.26Å; L100-L120 HydrophobicContact CD1-CD2 3.54Å; L100-L120 HydrophobicContact CD2-CD2 4.39Å; L120-L122 HydrophobicContact CD1-CD2 4.29Å; L120-L122 HydrophobicContact CD2-CD1 4.27Å; L120-L122 HydrophobicContact CD2-CD2 3.75Å; L120-L122 HydrophobicContact CD2-CG 4.11Å; L120-L122 HydrophobicContact CG-CD1 4.47Å; L120-L122 HydrophobicContact CG-CD2 3.77Å; L120-L122 HydrophobicContact CG-CG 3.9Å; L120-L122 PolarHBondContact O-N 3.25Å; L120-F130 HydrophobicContact CD2-CE1 4.32Å; L120-Y193 HydrophobicContact CD1-CD2 3.37Å; L120-Y193 HydrophobicContact CD1-CE1 4.41Å; L120-Y193 HydrophobicContact CD1-CE2 3.01Å; L120-Y193 HydrophobicContact CD1-CG 4.22Å; L120-Y193 HydrophobicContact CD2-CE1 4.22Å; L120-Y193 HydrophobicContact CD2-CE2 4.23Å; L120-Y193 HydrophobicContact CG-CD2 4.49Å; L120-Y193 HydrophobicContact CG-CE2 4.23Å |
| 121 | S | 79.7 | Confident | 71.3 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 111.1 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | H93 P119 | H93-S121 WeakPolarHBondContact O-CA 3.36Å; P119-S121 PolarHBondContact O-N 3.34Å |
| 122 | L | 85.2 | Confident | 73.6 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.2 | 179.8 | -62.9 | 177.5 | 0 | 0 | 0 | 111.4 | Y92 H93 F95 L120 T126 F130 Y193 | Y92-L122 CarbonylContact C-O 3.58Å; Y92-L122 VanDerWaalsContact CA-O 3.28Å; Y92-L122 WeakPolarHBondContact CA-O 3.22Å; H93-L122 PolarHBondContact N-O 2.7Å; H93-L122 PolarHBondContact O-N 3.3Å; F95-L122 HydrophobicContact CB-CD1 3.65Å; F95-L122 HydrophobicContact CB-CG 4.24Å; F95-L122 HydrophobicContact CD2-CD1 4.31Å; F95-L122 HydrophobicContact CG-CD1 3.97Å; L120-L122 HydrophobicContact CD1-CD2 4.29Å; L120-L122 HydrophobicContact CD2-CD1 4.27Å; L120-L122 HydrophobicContact CD2-CD2 3.75Å; L120-L122 HydrophobicContact CD2-CG 4.11Å; L120-L122 HydrophobicContact CG-CD1 4.47Å; L120-L122 HydrophobicContact CG-CD2 3.77Å; L120-L122 HydrophobicContact CG-CG 3.9Å; L120-L122 PolarHBondContact O-N 3.25Å; L122-T126 HydrophobicContact CB-CG2 4.43Å; L122-T126 HydrophobicContact CD1-CG2 4.26Å; L122-T126 HydrophobicContact CD2-CG2 3.92Å; L122-T126 HydrophobicContact CG-CG2 4.44Å; L122-F130 HydrophobicContact CD1-CB 4.23Å; L122-F130 HydrophobicContact CD1-CD1 3.52Å; L122-F130 HydrophobicContact CD1-CD2 4.35Å; L122-F130 HydrophobicContact CD1-CE1 3.93Å; L122-F130 HydrophobicContact CD1-CG 3.76Å; L122-F130 HydrophobicContact CD1-CZ 4.49Å; L122-Y193 HydrophobicContact CD2-CG 4.39Å |
| 123 | N | 86.7 | Confident | 75.9 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | trans | -64.9 | 160.5 | 168.8 | 68.2 | 65.1 | 0 | 0 | 0 | 110.5 | T85 F125 T126 Y127 | T85-N123 HydrophobicContact CG2-CB 3.89Å; N123-F125 VanDerWaalsContact C-N 3.28Å; N123-F125 PolarHBondContact O-N 3.01Å; N123-F125 PolarHBondContact OD1-N 3.11Å; N123-F125 VanDerWaalsContact OD1-N 3.16Å; N123-T126 PolarHBondContact ND2-OG1 3.47Å; N123-T126 PolarHBondContact O-N 3.19Å; N123-T126 WeakPolarHBondContact OD1-CB 3.18Å; N123-T126 PolarHBondContact OD1-N 2.83Å; N123-T126 PolarHBondContact OD1-OG1 3.48Å; N123-T126 VanDerWaalsContact OD1-OG1 3.1Å; N123-Y127 WeakPolarHBondContact O-CB 3.43Å; N123-Y127 PolarHBondContact O-N 3.07Å | ||
| 124 | A | 88.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -38.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L80 L84 H93 Y128 | L80-A124 HydrophobicContact CD2-CB 4.2Å; L84-A124 HydrophobicContact CB-CB 3.79Å; L84-A124 HydrophobicContact CD1-CB 4.02Å; H93-A124 WeakPolarHBondContact NE2-CB 3.23Å; A124-Y128 PolarHBondContact O-N 3.16Å; A124-Y128 VanDerWaalsContact O-N 3.13Å |
| 125 | F | 91.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.1 | -47.8 | 178.2 | 177.4 | -92.2 | 0 | 0 | 0 | 112.2 | L77 N123 Y127 Y128 M129 Y166 W217 Q218 A221 | L77-F125 HydrophobicContact CD2-CD2 4.22Å; L77-F125 HydrophobicContact CD2-CE2 4.12Å; N123-F125 VanDerWaalsContact C-N 3.28Å; N123-F125 PolarHBondContact O-N 3.01Å; N123-F125 PolarHBondContact OD1-N 3.11Å; N123-F125 VanDerWaalsContact OD1-N 3.16Å; F125-Y127 VanDerWaalsContact C-N 3.31Å; F125-Y127 PolarHBondContact O-N 2.6Å; F125-Y128 PolarHBondContact O-N 3.44Å; F125-M129 HydrophobicContact CD1-CG 4.18Å; F125-M129 HydrophobicContact CD2-CE 4.43Å; F125-M129 HydrophobicContact CE1-CE 4.26Å; F125-M129 HydrophobicContact CE1-CG 3.73Å; F125-M129 HydrophobicContact CE2-CE 3.5Å; F125-M129 HydrophobicContact CE2-CG 4.39Å; F125-M129 HydrophobicContact CZ-CE 3.41Å; F125-M129 VanDerWaalsContact CZ-CE 3.41Å; F125-M129 HydrophobicContact CZ-CG 3.86Å; F125-M129 HydrophobicContact CZ-SD 4.42Å; F125-M129 WeakPolarHBondContact O-CG 3.41Å; F125-M129 PolarHBondContact O-N 3.21Å; F125-Y166 HydrophobicContact CE2-CE1 4.18Å; F125-Y166 AromaticContact CE2-CZ 3.83Å; F125-Y166 WeakPolarHBondContact CE2-OH 3.33Å; F125-Y166 HydrophobicContact CZ-CD1 4.44Å; F125-Y166 AromaticContact CZ-CE1 3.73Å; F125-Y166 HydrophobicContact CZ-CE1 3.73Å; F125-Y166 HydrophobicContact CZ-CE2 4.23Å; F125-Y166 AromaticContact CZ-CZ 3.62Å; F125-W217 HydrophobicContact CB-CH2 3.71Å; F125-W217 HydrophobicContact CB-CZ3 3.74Å; F125-W217 HydrophobicContact CD1-CE3 4.28Å; F125-W217 AromaticContact CD1-CH2 3.9Å; F125-W217 HydrophobicContact CD1-CH2 3.9Å; F125-W217 AromaticContact CD1-CZ3 3.42Å; F125-W217 HydrophobicContact CD1-CZ3 3.42Å; F125-W217 VanDerWaalsContact CD1-CZ3 3.42Å; F125-W217 HydrophobicContact CD2-CH2 4.5Å; F125-W217 HydrophobicContact CE1-CZ3 4.23Å; F125-W217 AromaticContact CG-CH2 3.78Å; F125-W217 HydrophobicContact CG-CH2 3.78Å; F125-W217 AromaticContact CG-CZ3 3.74Å; F125-W217 HydrophobicContact CG-CZ3 3.74Å; F125-Q218 HydrophobicContact CE1-CB 3.84Å; F125-Q218 HydrophobicContact CE1-CG 4.05Å; F125-Q218 HydrophobicContact CZ-CB 3.89Å; F125-Q218 HydrophobicContact CZ-CG 4.07Å; F125-A221 HydrophobicContact CD1-CB 4.07Å; F125-A221 HydrophobicContact CE1-CB 3.96Å |
| 126 | T | 89.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | L122 N123 Y128 M129 F130 A221 | L122-T126 HydrophobicContact CB-CG2 4.43Å; L122-T126 HydrophobicContact CD1-CG2 4.26Å; L122-T126 HydrophobicContact CD2-CG2 3.92Å; L122-T126 HydrophobicContact CG-CG2 4.44Å; N123-T126 PolarHBondContact ND2-OG1 3.47Å; N123-T126 PolarHBondContact O-N 3.19Å; N123-T126 WeakPolarHBondContact OD1-CB 3.18Å; N123-T126 PolarHBondContact OD1-N 2.83Å; N123-T126 PolarHBondContact OD1-OG1 3.48Å; N123-T126 VanDerWaalsContact OD1-OG1 3.1Å; T126-Y128 VanDerWaalsContact C-N 3.35Å; T126-Y128 PolarHBondContact O-N 3.47Å; T126-M129 PolarHBondContact O-N 2.96Å; T126-F130 HydrophobicContact CG2-CD2 3.71Å; T126-F130 HydrophobicContact CG2-CE2 3.54Å; T126-F130 HydrophobicContact CG2-CZ 4.28Å; T126-F130 WeakPolarHBondContact O-CB 3.48Å; T126-F130 WeakPolarHBondContact O-CD2 3.12Å; T126-F130 PolarHBondContact O-N 2.88Å; T126-A221 HydrophobicContact CG2-CB 4.28Å; T126-A221 WeakPolarHBondContact OG1-CB 3.47Å |
| 127 | Y | 91.2 | Very high | 84.2 | Confident | 22 Ų | 22 | 21.3 Ų | 21.3 | 9% | 0.086 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 173 | 176.7 | -93.9 | 0 | 0 | 0 | 111.7 | V34 V35 V38 H93 F95 N123 F125 F130 A131 | V34-Y127 HydrophobicContact CG1-CD1 4.15Å; V34-Y127 HydrophobicContact CG1-CE1 4.48Å; V35-Y127 HydrophobicContact CG2-CE1 4.37Å; V38-Y127 HydrophobicContact CB-CE1 3.84Å; V38-Y127 HydrophobicContact CG1-CD1 4.41Å; V38-Y127 HydrophobicContact CG1-CE1 3.69Å; V38-Y127 HydrophobicContact CG2-CD1 4.28Å; V38-Y127 HydrophobicContact CG2-CE1 3.97Å; H93-Y127 HydrophobicContact CB-CD2 3.75Å; H93-Y127 HydrophobicContact CB-CE2 4.27Å; H93-Y127 HydrophobicContact CB-CG 3.91Å; F95-Y127 HydrophobicContact CB-CD2 4.24Å; F95-Y127 HydrophobicContact CB-CE2 4.45Å; F95-Y127 AromaticContact CD2-CD2 3.8Å; F95-Y127 HydrophobicContact CD2-CD2 3.8Å; F95-Y127 AromaticContact CD2-CE2 3.79Å; F95-Y127 HydrophobicContact CD2-CE2 3.79Å; N123-Y127 WeakPolarHBondContact O-CB 3.43Å; N123-Y127 PolarHBondContact O-N 3.07Å; F125-Y127 VanDerWaalsContact C-N 3.31Å; F125-Y127 PolarHBondContact O-N 2.6Å; Y127-F130 PolarHBondContact O-N 2.92Å; Y127-A131 WeakPolarHBondContact O-CB 3.39Å; Y127-A131 PolarHBondContact O-N 3.07Å |
| 128 | Y | 94.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 175.4 | 172.9 | -100.3 | 0 | 0 | 0 | 112.6 | V38 F42 F76 L77 L80 A124 F125 T126 F130 A131 F132 Y162 | V38-Y128 HydrophobicContact CG2-CD2 4.08Å; F42-Y128 HydrophobicContact CE2-CD2 4.06Å; F42-Y128 AromaticContact CE2-CE2 3.77Å; F42-Y128 HydrophobicContact CE2-CE2 3.77Å; F42-Y128 HydrophobicContact CZ-CD2 4.36Å; F42-Y128 AromaticContact CZ-CE2 3.68Å; F42-Y128 HydrophobicContact CZ-CE2 3.68Å; F76-Y128 HydrophobicContact CD1-CD2 4.49Å; F76-Y128 HydrophobicContact CD1-CE2 4.3Å; F76-Y128 AromaticContact CE1-CD2 3.59Å; F76-Y128 HydrophobicContact CE1-CD2 3.59Å; F76-Y128 AromaticContact CE1-CE2 3.68Å; F76-Y128 HydrophobicContact CE1-CE2 3.68Å; F76-Y128 HydrophobicContact CE1-CG 4.22Å; F76-Y128 HydrophobicContact CZ-CD2 4.4Å; L77-Y128 HydrophobicContact CD1-CE1 4.37Å; L77-Y128 HydrophobicContact CD2-CD1 3.47Å; L77-Y128 VanDerWaalsContact CD2-CD1 3.47Å; L77-Y128 HydrophobicContact CD2-CE1 3.59Å; L77-Y128 HydrophobicContact CD2-CG 4.31Å; L77-Y128 HydrophobicContact CG-CE1 4.31Å; L80-Y128 HydrophobicContact CD1-CD2 4.48Å; L80-Y128 HydrophobicContact CD1-CG 3.92Å; A124-Y128 PolarHBondContact O-N 3.16Å; A124-Y128 VanDerWaalsContact O-N 3.13Å; F125-Y128 PolarHBondContact O-N 3.44Å; T126-Y128 VanDerWaalsContact C-N 3.35Å; T126-Y128 PolarHBondContact O-N 3.47Å; Y128-F130 VanDerWaalsContact C-N 3.25Å; Y128-F130 PolarHBondContact O-N 2.82Å; Y128-A131 CarbonylContact O-C 3.53Å; Y128-A131 PolarHBondContact O-N 3.4Å; Y128-A131 VanDerWaalsContact O-N 3.16Å; Y128-F132 HydrophobicContact CE1-CB 4.34Å; Y128-F132 WeakPolarHBondContact O-CB 3.49Å; Y128-F132 PolarHBondContact O-N 3.19Å; Y128-Y162 HydrophobicContact CE1-CE2 4.15Å; Y128-Y162 PolarHBondContact OH-OH 3.21Å |
| 129 | M | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.3 | -36.3 | -180 | -72 | -59.6 | 167.9 | 0 | 0 | 111.8 | L77 F125 T126 F132 M133 Y162 Y166 V222 A225 | L77-M129 HydrophobicContact CD1-CE 4.15Å; L77-M129 HydrophobicContact CD2-CE 4.05Å; F125-M129 HydrophobicContact CD1-CG 4.18Å; F125-M129 HydrophobicContact CD2-CE 4.43Å; F125-M129 HydrophobicContact CE1-CE 4.26Å; F125-M129 HydrophobicContact CE1-CG 3.73Å; F125-M129 HydrophobicContact CE2-CE 3.5Å; F125-M129 HydrophobicContact CE2-CG 4.39Å; F125-M129 HydrophobicContact CZ-CE 3.41Å; F125-M129 VanDerWaalsContact CZ-CE 3.41Å; F125-M129 HydrophobicContact CZ-CG 3.86Å; F125-M129 HydrophobicContact CZ-SD 4.42Å; F125-M129 WeakPolarHBondContact O-CG 3.41Å; F125-M129 PolarHBondContact O-N 3.21Å; T126-M129 PolarHBondContact O-N 2.96Å; M129-F132 PolarHBondContact O-N 3.33Å; M129-M133 WeakPolarHBondContact O-CB 3.43Å; M129-M133 VanDerWaalsContact O-CG 3.27Å; M129-M133 WeakPolarHBondContact O-CG 3.43Å; M129-M133 PolarHBondContact O-N 2.77Å; M129-Y162 HydrophobicContact SD-CD2 4.44Å; M129-Y166 HydrophobicContact CE-CD2 4.32Å; M129-Y166 HydrophobicContact CE-CE2 3.46Å; M129-Y166 VanDerWaalsContact CE-CE2 3.46Å; M129-V222 HydrophobicContact CE-CG2 4.29Å; M129-V222 HydrophobicContact CG-CG2 4.05Å; M129-V222 HydrophobicContact SD-CG2 3.88Å; M129-A225 HydrophobicContact CB-CB 4.31Å |
| 130 | F | 92 | Very high | 87.9 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -49.4 | 172.9 | -86.2 | -133.7 | 0 | 0 | 0 | 111 | F95 L100 L120 L122 T126 Y127 Y128 F132 M133 C134 Q224 A225 E228 F229 | F95-F130 HydrophobicContact CD1-CD1 4.28Å; F95-F130 HydrophobicContact CD2-CB 4.13Å; F95-F130 HydrophobicContact CE1-CD1 4.26Å; F95-F130 HydrophobicContact CE2-CB 3.75Å; F95-F130 HydrophobicContact CZ-CB 4Å; F95-F130 HydrophobicContact CZ-CD1 4.48Å; L100-F130 HydrophobicContact CD2-CD1 4.03Å; L100-F130 HydrophobicContact CD2-CE1 3.82Å; L120-F130 HydrophobicContact CD2-CE1 4.32Å; L122-F130 HydrophobicContact CD1-CB 4.23Å; L122-F130 HydrophobicContact CD1-CD1 3.52Å; L122-F130 HydrophobicContact CD1-CD2 4.35Å; L122-F130 HydrophobicContact CD1-CE1 3.93Å; L122-F130 HydrophobicContact CD1-CG 3.76Å; L122-F130 HydrophobicContact CD1-CZ 4.49Å; T126-F130 HydrophobicContact CG2-CD2 3.71Å; T126-F130 HydrophobicContact CG2-CE2 3.54Å; T126-F130 HydrophobicContact CG2-CZ 4.28Å; T126-F130 WeakPolarHBondContact O-CB 3.48Å; T126-F130 WeakPolarHBondContact O-CD2 3.12Å; T126-F130 PolarHBondContact O-N 2.88Å; Y127-F130 PolarHBondContact O-N 2.92Å; Y128-F130 VanDerWaalsContact C-N 3.25Å; Y128-F130 PolarHBondContact O-N 2.82Å; F130-F132 VanDerWaalsContact C-N 3.3Å; F130-F132 PolarHBondContact O-N 3.32Å; F130-M133 PolarHBondContact O-N 3.37Å; F130-C134 WeakPolarHBondContact O-CB 3.44Å; F130-C134 PolarHBondContact O-N 3.48Å; F130-Q224 HydrophobicContact CE2-CG 3.89Å; F130-Q224 HydrophobicContact CZ-CG 3.76Å; F130-A225 HydrophobicContact CD2-CB 3.77Å; F130-A225 HydrophobicContact CE2-CB 4Å; F130-E228 HydrophobicContact CE1-CG 4.45Å; F130-F229 HydrophobicContact CB-CE2 3.7Å; F130-F229 HydrophobicContact CB-CZ 4.09Å; F130-F229 AromaticContact CD1-CE2 3.54Å; F130-F229 HydrophobicContact CD1-CE2 3.54Å; F130-F229 AromaticContact CD1-CZ 3.73Å; F130-F229 HydrophobicContact CD1-CZ 3.73Å; F130-F229 HydrophobicContact CD2-CE2 4.28Å; F130-F229 HydrophobicContact CE1-CE2 4.17Å; F130-F229 HydrophobicContact CE1-CZ 4.44Å; F130-F229 AromaticContact CG-CE2 3.59Å; F130-F229 HydrophobicContact CG-CE2 3.59Å; F130-F229 HydrophobicContact CG-CZ 4.14Å; F130-F229 WeakPolarHBondContact O-CE2 3.22Å |
| 131 | A | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V38 F42 Y44 Y127 Y128 Y135 | V38-A131 HydrophobicContact CG1-CB 3.43Å; V38-A131 VanDerWaalsContact CG1-CB 3.43Å; F42-A131 HydrophobicContact CD2-CB 3.88Å; F42-A131 HydrophobicContact CE2-CB 3.8Å; Y44-A131 HydrophobicContact CE2-CB 4.28Å; Y44-A131 PolarHBondContact OH-O 2.89Å; Y127-A131 WeakPolarHBondContact O-CB 3.39Å; Y127-A131 PolarHBondContact O-N 3.07Å; Y128-A131 CarbonylContact O-C 3.53Å; Y128-A131 PolarHBondContact O-N 3.4Å; Y128-A131 VanDerWaalsContact O-N 3.16Å; A131-Y135 PolarHBondContact O-N 3.34Å |
| 132 | F | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.1 | -50.3 | 177.6 | -179.4 | -96.4 | 0 | 0 | 0 | 111.8 | F42 Y128 M129 F130 C134 Y135 Y155 L158 F159 Y162 | F42-F132 HydrophobicContact CE1-CB 4.29Å; F42-F132 AromaticContact CE1-CD2 3.78Å; F42-F132 HydrophobicContact CE1-CD2 3.78Å; F42-F132 HydrophobicContact CE1-CG 4.46Å; F42-F132 HydrophobicContact CE2-CB 4.46Å; F42-F132 VanDerWaalsContact CZ-CA 3.47Å; F42-F132 HydrophobicContact CZ-CB 3.71Å; F42-F132 AromaticContact CZ-CD2 3.77Å; F42-F132 HydrophobicContact CZ-CD2 3.77Å; F42-F132 HydrophobicContact CZ-CG 4.23Å; Y128-F132 HydrophobicContact CE1-CB 4.34Å; Y128-F132 WeakPolarHBondContact O-CB 3.49Å; Y128-F132 PolarHBondContact O-N 3.19Å; M129-F132 PolarHBondContact O-N 3.33Å; F130-F132 VanDerWaalsContact C-N 3.3Å; F130-F132 PolarHBondContact O-N 3.32Å; F132-C134 VanDerWaalsContact C-N 3.31Å; F132-C134 PolarHBondContact O-N 3.44Å; F132-Y135 WeakPolarHBondContact O-CB 3.44Å; F132-Y135 PolarHBondContact O-N 2.92Å; F132-Y155 HydrophobicContact CD2-CD2 4.38Å; F132-Y155 AromaticContact CD2-CE2 3.97Å; F132-Y155 HydrophobicContact CD2-CE2 3.97Å; F132-Y155 HydrophobicContact CE1-CE2 4.17Å; F132-Y155 AromaticContact CE2-CD2 3.7Å; F132-Y155 HydrophobicContact CE2-CD2 3.7Å; F132-Y155 AromaticContact CE2-CE2 3.58Å; F132-Y155 HydrophobicContact CE2-CE2 3.58Å; F132-Y155 HydrophobicContact CG-CE2 4.41Å; F132-Y155 AromaticContact CZ-CD2 3.97Å; F132-Y155 HydrophobicContact CZ-CD2 3.97Å; F132-Y155 AromaticContact CZ-CE2 3.69Å; F132-Y155 HydrophobicContact CZ-CE2 3.69Å; F132-Y155 PolarHBondContact O-OH 3.06Å; F132-Y155 VanDerWaalsContact O-OH 3.06Å; F132-L158 HydrophobicContact CE2-CB 4.1Å; F132-L158 HydrophobicContact CZ-CB 4.04Å; F132-F159 HydrophobicContact CE1-CB 4.24Å; F132-F159 AromaticContact CE1-CD2 3.97Å; F132-F159 HydrophobicContact CE1-CD2 3.97Å; F132-F159 HydrophobicContact CZ-CB 4.18Å; F132-Y162 AromaticContact CD1-CD2 3.78Å; F132-Y162 HydrophobicContact CD1-CD2 3.78Å; F132-Y162 AromaticContact CD1-CE2 3.75Å; F132-Y162 HydrophobicContact CD1-CE2 3.75Å; F132-Y162 AromaticContact CD2-CE2 3.77Å; F132-Y162 HydrophobicContact CD2-CE2 3.77Å; F132-Y162 AromaticContact CE1-CD2 3.42Å; F132-Y162 HydrophobicContact CE1-CD2 3.42Å; F132-Y162 VanDerWaalsContact CE1-CD2 3.42Å; F132-Y162 AromaticContact CE1-CE2 3.58Å; F132-Y162 HydrophobicContact CE1-CE2 3.58Å; F132-Y162 HydrophobicContact CE2-CD2 4.3Å; F132-Y162 AromaticContact CE2-CE2 3.62Å; F132-Y162 HydrophobicContact CE2-CE2 3.62Å; F132-Y162 HydrophobicContact CG-CD2 4.34Å; F132-Y162 AromaticContact CG-CE2 3.84Å; F132-Y162 HydrophobicContact CG-CE2 3.84Å; F132-Y162 AromaticContact CZ-CD2 3.73Å; F132-Y162 HydrophobicContact CZ-CD2 3.73Å; F132-Y162 AromaticContact CZ-CE2 3.53Å; F132-Y162 HydrophobicContact CZ-CE2 3.53Å |
| 133 | M | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.8 | -31.5 | 179.9 | -65.3 | -61.4 | 179.7 | 0 | 0 | 112.5 | M129 F130 Y135 F159 V222 A225 V226 F229 L230 | M129-M133 WeakPolarHBondContact O-CB 3.43Å; M129-M133 VanDerWaalsContact O-CG 3.27Å; M129-M133 WeakPolarHBondContact O-CG 3.43Å; M129-M133 PolarHBondContact O-N 2.77Å; F130-M133 PolarHBondContact O-N 3.37Å; M133-Y135 PolarHBondContact O-N 3.27Å; M133-F159 HydrophobicContact CE-CD2 4.2Å; M133-F159 HydrophobicContact CE-CE2 3.9Å; M133-F159 HydrophobicContact SD-CD2 4.02Å; M133-F159 HydrophobicContact SD-CE2 3.61Å; M133-V222 HydrophobicContact CE-CG1 4.13Å; M133-A225 HydrophobicContact CB-CB 3.99Å; M133-A225 HydrophobicContact CG-CB 3.53Å; M133-V226 HydrophobicContact CE-CG2 3.78Å; M133-V226 HydrophobicContact SD-CG2 4.18Å; M133-F229 HydrophobicContact CB-CB 4.03Å; M133-F229 HydrophobicContact CB-CD2 3.8Å; M133-F229 HydrophobicContact CB-CG 4.25Å; M133-L230 HydrophobicContact SD-CD1 4.29Å |
| 134 | C | 89.5 | Confident | 87.6 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -27.2 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 112 | F130 F132 A136 S137 Y138 F229 | F130-C134 WeakPolarHBondContact O-CB 3.44Å; F130-C134 PolarHBondContact O-N 3.48Å; F132-C134 VanDerWaalsContact C-N 3.31Å; F132-C134 PolarHBondContact O-N 3.44Å; C134-A136 VanDerWaalsContact C-N 3.31Å; C134-A136 PolarHBondContact O-N 3.44Å; C134-S137 CarbonylContact O-C 3.54Å; C134-S137 WeakPolarHBondContact O-CA 3.4Å; C134-S137 PolarHBondContact O-N 2.8Å; C134-Y138 WeakPolarHBondContact O-CB 3.36Å; C134-Y138 PolarHBondContact O-N 3.1Å; C134-F229 HydrophobicContact CB-CD1 3.73Å; C134-F229 HydrophobicContact CB-CD2 4.49Å; C134-F229 HydrophobicContact CB-CE1 3.69Å; C134-F229 HydrophobicContact CB-CE2 4.48Å; C134-F229 HydrophobicContact CB-CG 4.15Å; C134-F229 HydrophobicContact CB-CZ 4.09Å |
| 135 | Y | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -47.2 | -174.7 | -173.5 | -103.5 | 0 | 0 | 0 | 113.3 | F42 Y44 L51 H52 A131 F132 M133 S137 W141 Y155 | F42-Y135 HydrophobicContact CB-CD2 4.04Å; F42-Y135 HydrophobicContact CB-CE2 4.44Å; F42-Y135 AromaticContact CD1-CD2 3.51Å; F42-Y135 HydrophobicContact CD1-CD2 3.51Å; F42-Y135 HydrophobicContact CD1-CE2 4.11Å; F42-Y135 HydrophobicContact CD1-CG 4.06Å; F42-Y135 HydrophobicContact CE1-CD2 4.44Å; F42-Y135 HydrophobicContact CG-CD2 4.18Å; Y44-Y135 VanDerWaalsContact OH-CA 3.23Å; Y44-Y135 WeakPolarHBondContact OH-CA 3.24Å; Y44-Y135 PolarHBondContact OH-N 3.41Å; Y44-Y135 VanDerWaalsContact OH-N 3.07Å; L51-Y135 PolarHBondContact N-OH 3.13Å; H52-Y135 HydrophobicContact CB-CE1 4.3Å; H52-Y135 AromaticContact ND1-CE1 3.9Å; H52-Y135 AromaticContact ND1-CZ 3.7Å; H52-Y135 PolarHBondContact ND1-OH 3.43Å; A131-Y135 PolarHBondContact O-N 3.34Å; F132-Y135 WeakPolarHBondContact O-CB 3.44Å; F132-Y135 PolarHBondContact O-N 2.92Å; M133-Y135 PolarHBondContact O-N 3.27Å; Y135-S137 VanDerWaalsContact C-N 3.28Å; Y135-S137 PolarHBondContact O-N 3.22Å; Y135-W141 AromaticContact CD2-CD1 3.54Å; Y135-W141 HydrophobicContact CD2-CG 4.21Å; Y135-W141 AromaticContact CD2-NE1 3.69Å; Y135-W141 AromaticContact CE2-CD1 3.43Å; Y135-W141 VanDerWaalsContact CE2-CD1 3.43Å; Y135-W141 AromaticContact CE2-CD2 3.9Å; Y135-W141 HydrophobicContact CE2-CD2 3.9Å; Y135-W141 AromaticContact CE2-CE2 3.58Å; Y135-W141 AromaticContact CE2-CG 3.82Å; Y135-W141 HydrophobicContact CE2-CG 3.82Å; Y135-W141 HydrophobicContact CE2-CZ2 4.22Å; Y135-W141 AromaticContact CE2-NE1 3.29Å; Y135-W141 VanDerWaalsContact CE2-NE1 3.29Å; Y135-W141 WeakPolarHBondContact O-CB 3.44Å; Y135-Y155 AromaticContact CD1-CD2 3.52Å; Y135-Y155 HydrophobicContact CD1-CD2 3.52Å; Y135-Y155 AromaticContact CD1-CE2 3.42Å; Y135-Y155 HydrophobicContact CD1-CE2 3.42Å; Y135-Y155 VanDerWaalsContact CD1-CE2 3.42Å; Y135-Y155 HydrophobicContact CD1-CG 4.14Å; Y135-Y155 AromaticContact CD1-CZ 3.95Å; Y135-Y155 AromaticContact CE1-CD2 3.99Å; Y135-Y155 HydrophobicContact CE1-CD2 3.99Å; Y135-Y155 HydrophobicContact CE1-CE2 4.34Å; Y135-Y155 HydrophobicContact CE1-CG 4.35Å; Y135-Y155 HydrophobicContact CG-CD2 4.22Å; Y135-Y155 AromaticContact CG-CE2 3.84Å; Y135-Y155 HydrophobicContact CG-CE2 3.84Å |
| 136 | A | 86.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C134 L145 Y155 L275 | C134-A136 VanDerWaalsContact C-N 3.31Å; C134-A136 PolarHBondContact O-N 3.44Å; A136-L145 HydrophobicContact CB-CD1 4.4Å; A136-Y155 HydrophobicContact CB-CE1 4.48Å; A136-L275 HydrophobicContact CB-CD1 3.47Å; A136-L275 VanDerWaalsContact CB-CD1 3.47Å |
| 137 | S | 82.7 | Confident | 87.1 | Confident | 31 Ų | 31 | 31.2 Ų | 31.2 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -10.4 | -177.3 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | C134 Y135 F229 | C134-S137 CarbonylContact O-C 3.54Å; C134-S137 WeakPolarHBondContact O-CA 3.4Å; C134-S137 PolarHBondContact O-N 2.8Å; Y135-S137 VanDerWaalsContact C-N 3.28Å; Y135-S137 PolarHBondContact O-N 3.22Å; S137-F229 PolarHBondContact OG-O 3.16Å |
| 138 | Y | 83.9 | Confident | 86.7 | Confident | 34 Ų | 34 | 33.7 Ų | 33.7 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -69.9 | 133.8 | -175 | -170.4 | -94.1 | 0 | 0 | 0 | 111.3 | Y44 W98 L99 C134 K140 W141 K142 | Y44-Y138 AromaticContact CD1-CD1 3.6Å; Y44-Y138 HydrophobicContact CD1-CD1 3.6Å; Y44-Y138 AromaticContact CD1-CD2 3.44Å; Y44-Y138 HydrophobicContact CD1-CD2 3.44Å; Y44-Y138 VanDerWaalsContact CD1-CD2 3.44Å; Y44-Y138 AromaticContact CD1-CE1 3.66Å; Y44-Y138 HydrophobicContact CD1-CE1 3.66Å; Y44-Y138 AromaticContact CD1-CE2 3.47Å; Y44-Y138 HydrophobicContact CD1-CE2 3.47Å; Y44-Y138 VanDerWaalsContact CD1-CE2 3.47Å; Y44-Y138 AromaticContact CD1-CG 3.5Å; Y44-Y138 HydrophobicContact CD1-CG 3.5Å; Y44-Y138 AromaticContact CD1-CZ 3.59Å; Y44-Y138 AromaticContact CE1-CD1 3.84Å; Y44-Y138 HydrophobicContact CE1-CD1 3.84Å; Y44-Y138 AromaticContact CE1-CD2 3.44Å; Y44-Y138 HydrophobicContact CE1-CD2 3.44Å; Y44-Y138 VanDerWaalsContact CE1-CD2 3.44Å; Y44-Y138 HydrophobicContact CE1-CE1 4.35Å; Y44-Y138 AromaticContact CE1-CE2 3.98Å; Y44-Y138 HydrophobicContact CE1-CE2 3.98Å; Y44-Y138 AromaticContact CE1-CG 3.36Å; Y44-Y138 HydrophobicContact CE1-CG 3.36Å; Y44-Y138 HydrophobicContact CG-CD2 4.3Å; Y44-Y138 HydrophobicContact CG-CE2 4Å; Y44-Y138 PolarHBondContact O-OH 3.13Å; W98-Y138 AromaticContact CH2-CE2 3.88Å; W98-Y138 HydrophobicContact CH2-CE2 3.88Å; L99-Y138 HydrophobicContact CD2-CD2 3.76Å; L99-Y138 HydrophobicContact CD2-CE2 3.84Å; C134-Y138 WeakPolarHBondContact O-CB 3.36Å; C134-Y138 PolarHBondContact O-N 3.1Å; Y138-K140 VanDerWaalsContact C-N 3.3Å; Y138-K140 HydrophobicContact CD1-CB 3.66Å; Y138-K140 HydrophobicContact CE1-CB 3.61Å; Y138-K140 PolarHBondContact O-N 2.63Å; Y138-K140 VanDerWaalsContact O-N 3.11Å; Y138-W141 PolarHBondContact O-N 2.93Å; Y138-K142 WeakPolarHBondContact O-CB 3.31Å; Y138-K142 PolarHBondContact O-N 3.06Å |
| 139 | P | 80.1 | Confident | 86.3 | Confident | 54 Ų | 54 | 37.5 Ų | 37.5 | 35% | 0.351 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -53.6 | -38.6 | -170.1 | -29.3 | 35.2 | 0 | 0 | 0 | 115.8 | ||
| 140 | K | 81.8 | Confident | 86 | Confident | 69 Ų | 69 | 37.5 Ų | 37.5 | 30% | 0.3 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.1 | -58.3 | 177.9 | -178.3 | -170.1 | 172.5 | -157.3 | 0 | 111.2 | G43 G46 Y138 K142 Q143 | G43-K140 PolarHBondContact O-NZ 2.78Å; G43-K140 VanDerWaalsContact O-NZ 3.13Å; G46-K140 PolarHBondContact O-NZ 3.28Å; Y138-K140 VanDerWaalsContact C-N 3.3Å; Y138-K140 HydrophobicContact CD1-CB 3.66Å; Y138-K140 HydrophobicContact CE1-CB 3.61Å; Y138-K140 PolarHBondContact O-N 2.63Å; Y138-K140 VanDerWaalsContact O-N 3.11Å; K140-K142 PolarHBondContact O-N 3.31Å; K140-Q143 PolarHBondContact O-N 3.16Å |
| 141 | W | 83.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.3 | -30.1 | -176.8 | -57.2 | 123 | 0 | 0 | 0 | 112.8 | F42 E47 H52 Y135 Y138 Q143 E144 L145 | F42-W141 VanDerWaalsContact O-CE2 3.23Å; F42-W141 WeakPolarHBondContact O-CZ2 3.42Å; F42-W141 PolarHBondContact O-NE1 3Å; E47-W141 VanDerWaalsContact O-CH2 3.32Å; E47-W141 WeakPolarHBondContact O-CH2 3.3Å; H52-W141 AromaticContact CE1-CE3 3.52Å; H52-W141 AromaticContact CE1-CZ3 3.56Å; Y135-W141 AromaticContact CD2-CD1 3.54Å; Y135-W141 HydrophobicContact CD2-CG 4.21Å; Y135-W141 AromaticContact CD2-NE1 3.69Å; Y135-W141 AromaticContact CE2-CD1 3.43Å; Y135-W141 VanDerWaalsContact CE2-CD1 3.43Å; Y135-W141 AromaticContact CE2-CD2 3.9Å; Y135-W141 HydrophobicContact CE2-CD2 3.9Å; Y135-W141 AromaticContact CE2-CE2 3.58Å; Y135-W141 AromaticContact CE2-CG 3.82Å; Y135-W141 HydrophobicContact CE2-CG 3.82Å; Y135-W141 HydrophobicContact CE2-CZ2 4.22Å; Y135-W141 AromaticContact CE2-NE1 3.29Å; Y135-W141 VanDerWaalsContact CE2-NE1 3.29Å; Y135-W141 WeakPolarHBondContact O-CB 3.44Å; Y138-W141 PolarHBondContact O-N 2.93Å; W141-Q143 PolarHBondContact O-N 3.26Å; W141-Q143 VanDerWaalsContact O-N 3.07Å; W141-E144 WeakPolarHBondContact CZ3-OE2 3.49Å; W141-E144 PolarHBondContact O-N 3.33Å; W141-L145 HydrophobicContact CB-CD1 4.19Å; W141-L145 HydrophobicContact CB-CG 4.39Å; W141-L145 WeakPolarHBondContact O-CB 3.41Å; W141-L145 WeakPolarHBondContact O-CG 2.98Å; W141-L145 PolarHBondContact O-N 3.16Å |
| 142 | K | 79.8 | Confident | 85.6 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.4 | -31.4 | 177.2 | -174.7 | 176.2 | 178.5 | 164.5 | 0 | 113.1 | Y138 K140 S265 K267 T269 | Y138-K142 WeakPolarHBondContact O-CB 3.31Å; Y138-K142 PolarHBondContact O-N 3.06Å; K140-K142 PolarHBondContact O-N 3.31Å; K142-S265 PolarHBondContact NZ-O 3.02Å; K142-K267 WeakPolarHBondContact CE-O 3.44Å; K142-K267 PolarHBondContact NZ-O 3.46Å; K142-T269 HydrophobicContact CD-CG2 4.12Å; K142-T269 HydrophobicContact CG-CG2 3.51Å |
| 143 | Q | 79.5 | Confident | 85.4 | Confident | 171 Ų | 171 | 44.4 Ų | 44.4 | 80% | 0.799 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -84.8 | -27.1 | 178 | -63.4 | -179.3 | 11.1 | 0 | 0 | 113.2 | K140 W141 | K140-Q143 PolarHBondContact O-N 3.16Å; W141-Q143 PolarHBondContact O-N 3.26Å; W141-Q143 VanDerWaalsContact O-N 3.07Å |
| 144 | E | 80.4 | Confident | 85.5 | Confident | 100 Ų | 100 | 44.4 Ų | 44.4 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -91.9 | -23.6 | -176.5 | -66.2 | 179.3 | -177.9 | 0 | 0 | 113.1 | W141 V146 | W141-E144 WeakPolarHBondContact CZ3-OE2 3.49Å; W141-E144 PolarHBondContact O-N 3.33Å; E144-V146 PolarHBondContact O-N 3.36Å; E144-V146 VanDerWaalsContact O-N 3.13Å |
| 145 | L | 86.5 | Confident | 85.8 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | trans | -69.1 | 109.8 | -175.7 | -76.5 | 167.6 | 0 | 0 | 0 | 112.4 | H52 A136 W141 L150 C271 | H52-L145 HydrophobicContact CB-CD2 3.39Å; A136-L145 HydrophobicContact CB-CD1 4.4Å; W141-L145 HydrophobicContact CB-CD1 4.19Å; W141-L145 HydrophobicContact CB-CG 4.39Å; W141-L145 WeakPolarHBondContact O-CB 3.41Å; W141-L145 WeakPolarHBondContact O-CG 2.98Å; W141-L145 PolarHBondContact O-N 3.16Å; L145-L150 HydrophobicContact CD2-CD1 4.16Å; L145-C271 HydrophobicContact CB-CB 4.37Å; L145-C271 PolarHBondContact O-SG 3.29Å | ||
| 146 | V | 87.2 | Confident | 86 | Confident | 77 Ų | 77 | 45 Ų | 45 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | trans | -98.6 | 134 | 170.8 | -177.7 | 0 | 0 | 0 | 0 | 110 | E144 C148 D149 L150 | E144-V146 PolarHBondContact O-N 3.36Å; E144-V146 VanDerWaalsContact O-N 3.13Å; V146-C148 VanDerWaalsContact C-N 3.34Å; V146-C148 HydrophobicContact CG1-CB 4.45Å; V146-C148 PolarHBondContact O-N 3.34Å; V146-D149 PolarHBondContact O-N 3.21Å; V146-L150 WeakPolarHBondContact O-CB 3.43Å; V146-L150 PolarHBondContact O-N 3.13Å | ||
| 147 | L | 85.8 | Confident | 86.3 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | -176.4 | 178.6 | 67.2 | 0 | 0 | 0 | 112.5 | D149 L150 E151 V270 F274 V357 | L147-D149 VanDerWaalsContact C-N 3.29Å; L147-D149 PolarHBondContact O-N 3.35Å; L147-L150 PolarHBondContact O-N 3.22Å; L147-E151 HydrophobicContact CD1-CG 4.12Å; L147-E151 HydrophobicContact CG-CG 4.27Å; L147-E151 WeakPolarHBondContact O-CG 3.43Å; L147-E151 PolarHBondContact O-N 3.47Å; L147-V270 HydrophobicContact CB-CG1 4.13Å; L147-V270 HydrophobicContact CD1-CG1 4.38Å; L147-V270 HydrophobicContact CD2-CG1 3.71Å; L147-V270 HydrophobicContact CG-CG1 4.27Å; L147-F274 HydrophobicContact CD1-CB 3.61Å; L147-F274 HydrophobicContact CD1-CD1 4.04Å; L147-F274 HydrophobicContact CD1-CD2 4Å; L147-F274 HydrophobicContact CD1-CG 3.64Å; L147-V357 HydrophobicContact CD2-CG2 4.28Å |
| 148 | C | 82.1 | Confident | 87 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | -176.8 | -63.1 | 0 | 0 | 0 | 0 | 113 | V146 | V146-C148 VanDerWaalsContact C-N 3.34Å; V146-C148 HydrophobicContact CG1-CB 4.45Å; V146-C148 PolarHBondContact O-N 3.34Å |
| 149 | D | 86 | Confident | 87.6 | Confident | 79 Ų | 79 | 43.1 Ų | 43.1 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -76.1 | -44.3 | 176.9 | -59.6 | -35.9 | 0 | 0 | 0 | 110 | V146 L147 E151 N152 S153 | V146-D149 PolarHBondContact O-N 3.21Å; L147-D149 VanDerWaalsContact C-N 3.29Å; L147-D149 PolarHBondContact O-N 3.35Å; D149-E151 VanDerWaalsContact C-N 3.3Å; D149-E151 PolarHBondContact O-N 3.41Å; D149-N152 PolarHBondContact O-N 3.34Å; D149-S153 WeakPolarHBondContact O-CB 3.41Å; D149-S153 PolarHBondContact O-N 2.7Å; D149-S153 VanDerWaalsContact O-N 3.16Å |
| 150 | L | 89 | Confident | 88.3 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.8 | -40.5 | 178.6 | -174.3 | 65.8 | 0 | 0 | 0 | 112.4 | H52 L145 V146 L147 N152 S153 Y155 R156 C271 F274 | H52-L150 HydrophobicContact CB-CD1 4.32Å; L145-L150 HydrophobicContact CD2-CD1 4.16Å; V146-L150 WeakPolarHBondContact O-CB 3.43Å; V146-L150 PolarHBondContact O-N 3.13Å; L147-L150 PolarHBondContact O-N 3.22Å; L150-N152 VanDerWaalsContact C-N 3.26Å; L150-N152 PolarHBondContact O-N 2.92Å; L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 3.34Å; L150-S153 VanDerWaalsContact O-N 3.13Å; L150-S153 PolarHBondContact O-OG 3.49Å; L150-Y155 HydrophobicContact CD1-CD1 3.69Å; L150-Y155 HydrophobicContact CD1-CE1 4.44Å; L150-Y155 HydrophobicContact CD1-CG 4.46Å; L150-R156 WeakPolarHBondContact O-CB 3.33Å; L150-C271 HydrophobicContact CD2-CB 3.54Å; L150-F274 HydrophobicContact CD2-CD1 4.34Å |
| 151 | E | 87 | Confident | 88.9 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -35.8 | -177 | -82.7 | -179.5 | 171.6 | 0 | 0 | 114 | L147 D149 F274 | L147-E151 HydrophobicContact CD1-CG 4.12Å; L147-E151 HydrophobicContact CG-CG 4.27Å; L147-E151 WeakPolarHBondContact O-CG 3.43Å; L147-E151 PolarHBondContact O-N 3.47Å; D149-E151 VanDerWaalsContact C-N 3.3Å; D149-E151 PolarHBondContact O-N 3.41Å; E151-F274 HydrophobicContact CB-CZ 4.47Å; E151-F274 HydrophobicContact CG-CE1 4.04Å; E151-F274 HydrophobicContact CG-CE2 3.92Å; E151-F274 HydrophobicContact CG-CZ 3.64Å |
| 152 | N | 87.3 | Confident | 89.5 | Confident | 103 Ų | 103 | 40 Ų | 40 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -106.9 | 5 | -179.8 | -58.5 | -64.8 | 0 | 0 | 0 | 113.2 | N55 D149 L150 | N55-N152 PolarHBondContact OD1-O 2.95Å; D149-N152 PolarHBondContact O-N 3.34Å; L150-N152 VanDerWaalsContact C-N 3.26Å; L150-N152 PolarHBondContact O-N 2.92Å |
| 153 | S | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 161.2 | -175.9 | 71.3 | 0 | 0 | 0 | 0 | 113.7 | H52 V54 D149 L150 Y155 R156 T157 | H52-S153 WeakPolarHBondContact O-CB 3.49Å; V54-S153 CarbonylContact O-C 3.46Å; V54-S153 WeakPolarHBondContact O-CA 3.3Å; D149-S153 WeakPolarHBondContact O-CB 3.41Å; D149-S153 PolarHBondContact O-N 2.7Å; D149-S153 VanDerWaalsContact O-N 3.16Å; L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 3.34Å; L150-S153 VanDerWaalsContact O-N 3.13Å; L150-S153 PolarHBondContact O-OG 3.49Å; S153-Y155 VanDerWaalsContact C-N 3.34Å; S153-R156 PolarHBondContact O-N 2.87Å; S153-R156 PolarHBondContact OG-N 3.19Å; S153-T157 PolarHBondContact O-N 3.18Å; S153-T157 PolarHBondContact O-OG1 2.86Å |
| 154 | L | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 170.7 | 178.6 | 61.9 | 0 | 0 | 0 | 112.2 | L51 V54 F63 I66 R67 R156 T157 L158 | L51-L154 HydrophobicContact CD2-CD2 4.06Å; L51-L154 PolarHBondContact O-N 3.17Å; V54-L154 HydrophobicContact CB-CB 4.11Å; V54-L154 HydrophobicContact CB-CD2 4.45Å; V54-L154 HydrophobicContact CG1-CB 4.32Å; V54-L154 HydrophobicContact CG1-CD2 4.28Å; V54-L154 PolarHBondContact O-N 3.18Å; F63-L154 HydrophobicContact CD1-CD1 4.46Å; F63-L154 HydrophobicContact CD2-CB 3.82Å; F63-L154 HydrophobicContact CD2-CD1 3.99Å; F63-L154 HydrophobicContact CD2-CG 4.41Å; F63-L154 HydrophobicContact CE1-CD1 4.3Å; F63-L154 VanDerWaalsContact CE2-CA 3.46Å; F63-L154 HydrophobicContact CE2-CB 3.69Å; F63-L154 HydrophobicContact CE2-CD1 3.83Å; F63-L154 HydrophobicContact CE2-CG 4.36Å; F63-L154 HydrophobicContact CG-CD1 4.31Å; F63-L154 HydrophobicContact CZ-CD1 3.98Å; I66-L154 HydrophobicContact CB-CD2 3.57Å; I66-L154 HydrophobicContact CD1-CD2 3.97Å; I66-L154 HydrophobicContact CG1-CD2 4.38Å; I66-L154 HydrophobicContact CG2-CD2 3.44Å; I66-L154 VanDerWaalsContact CG2-CD2 3.44Å; R67-L154 HydrophobicContact CB-CD1 3.79Å; R67-L154 HydrophobicContact CG-CD1 4.36Å; L154-R156 VanDerWaalsContact C-N 3.27Å; L154-R156 PolarHBondContact O-N 3.45Å; L154-T157 PolarHBondContact O-N 2.91Å; L154-L158 HydrophobicContact CD1-CD1 4.29Å; L154-L158 HydrophobicContact CD1-CG 4.14Å; L154-L158 HydrophobicContact CG-CD1 4.05Å; L154-L158 HydrophobicContact CG-CG 4.35Å; L154-L158 WeakPolarHBondContact O-CG 3.38Å; L154-L158 PolarHBondContact O-N 2.88Å |
| 155 | Y | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.5 | -45.3 | 176.6 | 179.3 | -92.3 | 0 | 0 | 0 | 111.5 | L51 F132 Y135 A136 L150 S153 T157 L158 F159 L275 | L51-Y155 HydrophobicContact CB-CD2 4.46Å; L51-Y155 HydrophobicContact CD1-CD2 4.48Å; L51-Y155 PolarHBondContact O-N 2.87Å; F132-Y155 HydrophobicContact CD2-CD2 4.38Å; F132-Y155 AromaticContact CD2-CE2 3.97Å; F132-Y155 HydrophobicContact CD2-CE2 3.97Å; F132-Y155 HydrophobicContact CE1-CE2 4.17Å; F132-Y155 AromaticContact CE2-CD2 3.7Å; F132-Y155 HydrophobicContact CE2-CD2 3.7Å; F132-Y155 AromaticContact CE2-CE2 3.58Å; F132-Y155 HydrophobicContact CE2-CE2 3.58Å; F132-Y155 HydrophobicContact CG-CE2 4.41Å; F132-Y155 AromaticContact CZ-CD2 3.97Å; F132-Y155 HydrophobicContact CZ-CD2 3.97Å; F132-Y155 AromaticContact CZ-CE2 3.69Å; F132-Y155 HydrophobicContact CZ-CE2 3.69Å; F132-Y155 PolarHBondContact O-OH 3.06Å; F132-Y155 VanDerWaalsContact O-OH 3.06Å; Y135-Y155 AromaticContact CD1-CD2 3.52Å; Y135-Y155 HydrophobicContact CD1-CD2 3.52Å; Y135-Y155 AromaticContact CD1-CE2 3.42Å; Y135-Y155 HydrophobicContact CD1-CE2 3.42Å; Y135-Y155 VanDerWaalsContact CD1-CE2 3.42Å; Y135-Y155 HydrophobicContact CD1-CG 4.14Å; Y135-Y155 AromaticContact CD1-CZ 3.95Å; Y135-Y155 AromaticContact CE1-CD2 3.99Å; Y135-Y155 HydrophobicContact CE1-CD2 3.99Å; Y135-Y155 HydrophobicContact CE1-CE2 4.34Å; Y135-Y155 HydrophobicContact CE1-CG 4.35Å; Y135-Y155 HydrophobicContact CG-CD2 4.22Å; Y135-Y155 AromaticContact CG-CE2 3.84Å; Y135-Y155 HydrophobicContact CG-CE2 3.84Å; A136-Y155 HydrophobicContact CB-CE1 4.48Å; L150-Y155 HydrophobicContact CD1-CD1 3.69Å; L150-Y155 HydrophobicContact CD1-CE1 4.44Å; L150-Y155 HydrophobicContact CD1-CG 4.46Å; S153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-T157 PolarHBondContact O-N 3.19Å; Y155-L158 PolarHBondContact O-N 3.35Å; Y155-F159 WeakPolarHBondContact O-CB 3.36Å; Y155-F159 PolarHBondContact O-N 3.18Å; Y155-L275 HydrophobicContact CE1-CD1 3.85Å; Y155-L275 HydrophobicContact CE1-CD2 4.16Å |
| 156 | R | 94.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 25.1 Ų | 25.1 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 178.8 | 170.6 | 55.5 | -171.1 | 122.9 | 10 | 112.4 | L150 S153 L154 F159 D160 F274 C278 | L150-R156 WeakPolarHBondContact O-CB 3.33Å; S153-R156 PolarHBondContact O-N 2.87Å; S153-R156 PolarHBondContact OG-N 3.19Å; L154-R156 VanDerWaalsContact C-N 3.27Å; L154-R156 PolarHBondContact O-N 3.45Å; R156-F159 WeakPolarHBondContact O-CB 3.03Å; R156-F159 PolarHBondContact O-N 3.46Å; R156-D160 IonicContact CZ-OD1 2.78Å; R156-D160 IonicContact CZ-OD2 3.89Å; R156-D160 IonicContact NE-OD2 3.76Å; R156-D160 IonicContact NH1-OD1 3.19Å; R156-D160 PolarHBondContact NH1-OD1 3.02Å; R156-D160 IonicContact NH1-OD2 3.42Å; R156-D160 PolarHBondContact NH1-OD2 3.1Å; R156-D160 IonicContact NH2-OD1 3.41Å; R156-D160 PolarHBondContact NH2-OD1 2.6Å; R156-D160 IonicContact NH2-OD2 3.4Å; R156-D160 PolarHBondContact NH2-OD2 2.89Å; R156-D160 PolarHBondContact O-N 3.12Å; R156-F274 VanDerWaalsContact CD-CE1 3.49Å; R156-F274 HydrophobicContact CG-CE1 4.12Å; R156-C278 PolarHBondContact NH2-SG 2.87Å |
| 157 | T | 93.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 21.6 Ų | 21.6 | 17% | 0.172 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | F63 S153 L154 Y155 F159 D160 D161 | F63-T157 HydrophobicContact CE1-CG2 4.48Å; F63-T157 HydrophobicContact CZ-CG2 4.03Å; S153-T157 PolarHBondContact O-N 3.18Å; S153-T157 PolarHBondContact O-OG1 2.86Å; L154-T157 PolarHBondContact O-N 2.91Å; Y155-T157 PolarHBondContact O-N 3.19Å; T157-F159 VanDerWaalsContact C-N 3.32Å; T157-F159 PolarHBondContact O-N 3.38Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 2.96Å; T157-D161 PolarHBondContact O-N 2.79Å |
| 158 | L | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 174 | -73.1 | 172.5 | 0 | 0 | 0 | 111.8 | R67 L70 F132 L154 Y155 D160 D161 Y162 | R67-L158 HydrophobicContact CG-CD2 4.29Å; L70-L158 HydrophobicContact CB-CD1 4Å; L70-L158 HydrophobicContact CB-CD2 3.92Å; L70-L158 HydrophobicContact CD1-CD1 3.86Å; F132-L158 HydrophobicContact CE2-CB 4.1Å; F132-L158 HydrophobicContact CZ-CB 4.04Å; L154-L158 HydrophobicContact CD1-CD1 4.29Å; L154-L158 HydrophobicContact CD1-CG 4.14Å; L154-L158 HydrophobicContact CG-CD1 4.05Å; L154-L158 HydrophobicContact CG-CG 4.35Å; L154-L158 WeakPolarHBondContact O-CG 3.38Å; L154-L158 PolarHBondContact O-N 2.88Å; Y155-L158 PolarHBondContact O-N 3.35Å; L158-D160 VanDerWaalsContact C-N 3.31Å; L158-D160 PolarHBondContact O-N 3.08Å; L158-D161 PolarHBondContact O-N 3.3Å; L158-Y162 HydrophobicContact CB-CE2 4.38Å; L158-Y162 WeakPolarHBondContact O-CB 3.42Å; L158-Y162 WeakPolarHBondContact O-CD2 3.48Å; L158-Y162 PolarHBondContact O-N 3.32Å |
| 159 | F | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 174.3 | -174.2 | -95.9 | 0 | 0 | 0 | 111.4 | F132 M133 Y155 R156 T157 Y162 L163 L230 L275 C278 F279 | F132-F159 HydrophobicContact CE1-CB 4.24Å; F132-F159 AromaticContact CE1-CD2 3.97Å; F132-F159 HydrophobicContact CE1-CD2 3.97Å; F132-F159 HydrophobicContact CZ-CB 4.18Å; M133-F159 HydrophobicContact CE-CD2 4.2Å; M133-F159 HydrophobicContact CE-CE2 3.9Å; M133-F159 HydrophobicContact SD-CD2 4.02Å; M133-F159 HydrophobicContact SD-CE2 3.61Å; Y155-F159 WeakPolarHBondContact O-CB 3.36Å; Y155-F159 PolarHBondContact O-N 3.18Å; R156-F159 WeakPolarHBondContact O-CB 3.03Å; R156-F159 PolarHBondContact O-N 3.46Å; T157-F159 VanDerWaalsContact C-N 3.32Å; T157-F159 PolarHBondContact O-N 3.38Å; F159-Y162 PolarHBondContact O-N 3.2Å; F159-L163 HydrophobicContact CD1-CD1 3.67Å; F159-L163 HydrophobicContact CD1-CG 4.28Å; F159-L163 HydrophobicContact CE1-CD1 3.25Å; F159-L163 HydrophobicContact CE1-CG 4.11Å; F159-L163 HydrophobicContact CZ-CD1 3.78Å; F159-L163 HydrophobicContact CZ-CG 4.35Å; F159-L163 VanDerWaalsContact O-CG 3.29Å; F159-L163 WeakPolarHBondContact O-CG 3.37Å; F159-L163 PolarHBondContact O-N 3.39Å; F159-L230 HydrophobicContact CE2-CD1 3.84Å; F159-L230 HydrophobicContact CZ-CD1 3.88Å; F159-L275 HydrophobicContact CD1-CD2 3.86Å; F159-L275 HydrophobicContact CD2-CD2 4.27Å; F159-L275 HydrophobicContact CE1-CB 4.23Å; F159-L275 HydrophobicContact CE1-CD2 4.02Å; F159-L275 WeakPolarHBondContact CE1-O 3.42Å; F159-L275 HydrophobicContact CE2-CD2 4.47Å; F159-L275 HydrophobicContact CG-CD2 3.98Å; F159-L275 HydrophobicContact CZ-CB 4.05Å; F159-L275 HydrophobicContact CZ-CD2 4.35Å; F159-C278 HydrophobicContact CD1-CB 4.46Å; F159-C278 HydrophobicContact CE1-CB 3.99Å; F159-F279 HydrophobicContact CZ-CB 4.26Å |
| 160 | D | 93.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 16.4 Ų | 16.4 | 14% | 0.139 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 171.8 | -85.1 | -24.7 | 0 | 0 | 0 | 113.1 | R156 T157 L158 Y162 L163 G164 Y282 | R156-D160 IonicContact CZ-OD1 2.78Å; R156-D160 IonicContact CZ-OD2 3.89Å; R156-D160 IonicContact NE-OD2 3.76Å; R156-D160 IonicContact NH1-OD1 3.19Å; R156-D160 PolarHBondContact NH1-OD1 3.02Å; R156-D160 IonicContact NH1-OD2 3.42Å; R156-D160 PolarHBondContact NH1-OD2 3.1Å; R156-D160 IonicContact NH2-OD1 3.41Å; R156-D160 PolarHBondContact NH2-OD1 2.6Å; R156-D160 IonicContact NH2-OD2 3.4Å; R156-D160 PolarHBondContact NH2-OD2 2.89Å; R156-D160 PolarHBondContact O-N 3.12Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 2.96Å; L158-D160 VanDerWaalsContact C-N 3.31Å; L158-D160 PolarHBondContact O-N 3.08Å; D160-Y162 VanDerWaalsContact C-N 3.3Å; D160-Y162 PolarHBondContact O-N 2.88Å; D160-L163 PolarHBondContact O-N 2.91Å; D160-G164 WeakPolarHBondContact O-CA 3.4Å; D160-G164 PolarHBondContact O-N 2.84Å; D160-Y282 WeakPolarHBondContact OD1-CE2 3.43Å; D160-Y282 PolarHBondContact OD1-OH 3.43Å |
| 161 | D | 94.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 20% | 0.198 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 178.9 | -69.3 | -20.3 | 0 | 0 | 0 | 110.7 | R67 P72 T157 L158 F165 | R67-D161 IonicContact CZ-OD1 3.18Å; R67-D161 IonicContact CZ-OD2 3.76Å; R67-D161 IonicContact NE-OD1 3.91Å; R67-D161 IonicContact NE-OD2 2.8Å; R67-D161 PolarHBondContact NE-OD2 3Å; R67-D161 IonicContact NH2-OD1 3.73Å; R67-D161 PolarHBondContact NH2-OD1 3.48Å; R67-D161 IonicContact NH2-OD2 2.8Å; R67-D161 PolarHBondContact NH2-OD2 2.93Å; P72-D161 HydrophobicContact CG-CB 4.4Å; T157-D161 PolarHBondContact O-N 2.79Å; L158-D161 PolarHBondContact O-N 3.3Å; D161-F165 VanDerWaalsContact O-CB 3.28Å; D161-F165 WeakPolarHBondContact O-CB 3.36Å; D161-F165 PolarHBondContact O-N 3.35Å |
| 162 | Y | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.5 | -48.9 | 177.2 | -63.7 | -17.4 | 0 | 0 | 0 | 112.4 | L70 P72 L77 Y128 M129 F132 L158 F159 D160 G164 F165 Y166 | L70-Y162 WeakPolarHBondContact O-CE1 3.46Å; L70-Y162 PolarHBondContact O-OH 3.05Å; P72-Y162 HydrophobicContact CG-CD1 3.96Å; P72-Y162 HydrophobicContact CG-CE1 4.41Å; L77-Y162 HydrophobicContact CD1-CD1 4.27Å; L77-Y162 HydrophobicContact CD1-CE1 3.46Å; L77-Y162 VanDerWaalsContact CD1-CE1 3.46Å; Y128-Y162 HydrophobicContact CE1-CE2 4.15Å; Y128-Y162 PolarHBondContact OH-OH 3.21Å; M129-Y162 HydrophobicContact SD-CD2 4.44Å; F132-Y162 AromaticContact CD1-CD2 3.78Å; F132-Y162 HydrophobicContact CD1-CD2 3.78Å; F132-Y162 AromaticContact CD1-CE2 3.75Å; F132-Y162 HydrophobicContact CD1-CE2 3.75Å; F132-Y162 AromaticContact CD2-CE2 3.77Å; F132-Y162 HydrophobicContact CD2-CE2 3.77Å; F132-Y162 AromaticContact CE1-CD2 3.42Å; F132-Y162 HydrophobicContact CE1-CD2 3.42Å; F132-Y162 VanDerWaalsContact CE1-CD2 3.42Å; F132-Y162 AromaticContact CE1-CE2 3.58Å; F132-Y162 HydrophobicContact CE1-CE2 3.58Å; F132-Y162 HydrophobicContact CE2-CD2 4.3Å; F132-Y162 AromaticContact CE2-CE2 3.62Å; F132-Y162 HydrophobicContact CE2-CE2 3.62Å; F132-Y162 HydrophobicContact CG-CD2 4.34Å; F132-Y162 AromaticContact CG-CE2 3.84Å; F132-Y162 HydrophobicContact CG-CE2 3.84Å; F132-Y162 AromaticContact CZ-CD2 3.73Å; F132-Y162 HydrophobicContact CZ-CD2 3.73Å; F132-Y162 AromaticContact CZ-CE2 3.53Å; F132-Y162 HydrophobicContact CZ-CE2 3.53Å; L158-Y162 HydrophobicContact CB-CE2 4.38Å; L158-Y162 WeakPolarHBondContact O-CB 3.42Å; L158-Y162 WeakPolarHBondContact O-CD2 3.48Å; L158-Y162 PolarHBondContact O-N 3.32Å; F159-Y162 PolarHBondContact O-N 3.2Å; D160-Y162 VanDerWaalsContact C-N 3.3Å; D160-Y162 PolarHBondContact O-N 2.88Å; Y162-G164 VanDerWaalsContact C-N 3.27Å; Y162-G164 PolarHBondContact O-N 3.29Å; Y162-F165 PolarHBondContact O-N 3.46Å; Y162-Y166 HydrophobicContact CD1-CE2 4.04Å; Y162-Y166 HydrophobicContact CG-CE2 4.29Å; Y162-Y166 WeakPolarHBondContact O-CB 3.06Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.21Å; Y162-Y166 PolarHBondContact O-N 3.21Å |
| 163 | L | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.8 | -67.4 | -178.6 | 0 | 0 | 0 | 111.1 | F159 D160 F165 L167 F279 Y282 | F159-L163 HydrophobicContact CD1-CD1 3.67Å; F159-L163 HydrophobicContact CD1-CG 4.28Å; F159-L163 HydrophobicContact CE1-CD1 3.25Å; F159-L163 HydrophobicContact CE1-CG 4.11Å; F159-L163 HydrophobicContact CZ-CD1 3.78Å; F159-L163 HydrophobicContact CZ-CG 4.35Å; F159-L163 VanDerWaalsContact O-CG 3.29Å; F159-L163 WeakPolarHBondContact O-CG 3.37Å; F159-L163 PolarHBondContact O-N 3.39Å; D160-L163 PolarHBondContact O-N 2.91Å; L163-F165 PolarHBondContact O-N 3.48Å; L163-L167 HydrophobicContact CB-CD1 4.35Å; L163-L167 HydrophobicContact CD2-CD1 4.01Å; L163-L167 WeakPolarHBondContact O-CB 3.36Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 3.22Å; L163-L167 VanDerWaalsContact O-N 3.1Å; L163-F279 HydrophobicContact CD1-CB 4.26Å; L163-F279 HydrophobicContact CD2-CD2 3.82Å; L163-Y282 HydrophobicContact CB-CD1 3.93Å; L163-Y282 HydrophobicContact CB-CD2 4.08Å; L163-Y282 HydrophobicContact CB-CE1 4.44Å; L163-Y282 HydrophobicContact CB-CG 3.72Å; L163-Y282 HydrophobicContact CD1-CD2 3.9Å; L163-Y282 HydrophobicContact CD1-CG 4.19Å |
| 164 | G | 91 | Very high | 90.5 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 6% | 0.062 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -48.8 | -58.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | D160 Y162 T169 D170 | D160-G164 WeakPolarHBondContact O-CA 3.4Å; D160-G164 PolarHBondContact O-N 2.84Å; Y162-G164 VanDerWaalsContact C-N 3.27Å; Y162-G164 PolarHBondContact O-N 3.29Å; G164-T169 WeakPolarHBondContact CA-OG1 3.47Å; G164-T169 PolarHBondContact O-N 3.09Å; G164-T169 PolarHBondContact O-OG1 3.36Å; G164-D170 PolarHBondContact O-N 2.91Å |
| 165 | F | 92 | Very high | 90.1 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -76.5 | -54 | -174.4 | -171.3 | -90.2 | 0 | 0 | 0 | 112.8 | P72 N73 D161 Y162 L163 L167 Y168 T173 V176 | P72-F165 HydrophobicContact CB-CB 3.74Å; P72-F165 HydrophobicContact CB-CD1 3.54Å; P72-F165 HydrophobicContact CB-CD2 3.73Å; P72-F165 HydrophobicContact CB-CE1 3.99Å; P72-F165 HydrophobicContact CB-CE2 4.16Å; P72-F165 HydrophobicContact CB-CG 3.39Å; P72-F165 HydrophobicContact CB-CZ 4.27Å; P72-F165 HydrophobicContact CG-CB 3.51Å; P72-F165 HydrophobicContact CG-CD1 4.27Å; P72-F165 HydrophobicContact CG-CD2 4.23Å; P72-F165 HydrophobicContact CG-CG 3.77Å; N73-F165 WeakPolarHBondContact OD1-CE2 3.43Å; D161-F165 VanDerWaalsContact O-CB 3.28Å; D161-F165 WeakPolarHBondContact O-CB 3.36Å; D161-F165 PolarHBondContact O-N 3.35Å; Y162-F165 PolarHBondContact O-N 3.46Å; L163-F165 PolarHBondContact O-N 3.48Å; F165-L167 VanDerWaalsContact C-N 3.33Å; F165-L167 PolarHBondContact O-N 3.41Å; F165-Y168 WeakPolarHBondContact O-CA 3.25Å; F165-Y168 PolarHBondContact O-N 2.84Å; F165-T173 HydrophobicContact CD1-CG2 4.28Å; F165-T173 HydrophobicContact CD2-CG2 3.88Å; F165-T173 HydrophobicContact CE1-CG2 4.29Å; F165-T173 HydrophobicContact CE2-CG2 3.9Å; F165-T173 HydrophobicContact CG-CG2 4.09Å; F165-T173 HydrophobicContact CZ-CG2 4.11Å; F165-T173 WeakPolarHBondContact O-CG2 3.13Å; F165-V176 HydrophobicContact CE2-CB 4.16Å; F165-V176 HydrophobicContact CE2-CG1 4.28Å; F165-V176 HydrophobicContact CE2-CG2 4.32Å; F165-V176 HydrophobicContact CZ-CB 4.3Å; F165-V176 HydrophobicContact CZ-CG1 4.02Å |
| 166 | Y | 91.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.5 | -18.5 | -172.3 | -61.4 | -64.1 | 0 | 0 | 0 | 113.9 | F125 M129 Y162 Y168 Q218 T219 V222 | F125-Y166 HydrophobicContact CE2-CE1 4.18Å; F125-Y166 AromaticContact CE2-CZ 3.83Å; F125-Y166 WeakPolarHBondContact CE2-OH 3.33Å; F125-Y166 HydrophobicContact CZ-CD1 4.44Å; F125-Y166 AromaticContact CZ-CE1 3.73Å; F125-Y166 HydrophobicContact CZ-CE1 3.73Å; F125-Y166 HydrophobicContact CZ-CE2 4.23Å; F125-Y166 AromaticContact CZ-CZ 3.62Å; M129-Y166 HydrophobicContact CE-CD2 4.32Å; M129-Y166 HydrophobicContact CE-CE2 3.46Å; M129-Y166 VanDerWaalsContact CE-CE2 3.46Å; Y162-Y166 HydrophobicContact CD1-CE2 4.04Å; Y162-Y166 HydrophobicContact CG-CE2 4.29Å; Y162-Y166 WeakPolarHBondContact O-CB 3.06Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.21Å; Y162-Y166 PolarHBondContact O-N 3.21Å; Y166-Y168 VanDerWaalsContact C-N 3.34Å; Y166-Q218 HydrophobicContact CD1-CB 3.83Å; Y166-Q218 HydrophobicContact CE1-CB 3.9Å; Y166-Q218 HydrophobicContact CE1-CG 4.5Å; Y166-T219 WeakPolarHBondContact O-CB 3.38Å; Y166-T219 WeakPolarHBondContact O-CG2 3.29Å; Y166-T219 PolarHBondContact O-OG1 3Å; Y166-V222 HydrophobicContact CD2-CG2 3.63Å; Y166-V222 HydrophobicContact CE2-CG2 4.25Å; Y166-V222 HydrophobicContact CG-CG2 3.83Å |
| 167 | L | 89.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.4 | 168 | -56.8 | 172.9 | 0 | 0 | 0 | 112.7 | L163 F165 T169 T219 L223 A286 R312 | L163-L167 HydrophobicContact CB-CD1 4.35Å; L163-L167 HydrophobicContact CD2-CD1 4.01Å; L163-L167 WeakPolarHBondContact O-CB 3.36Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 3.22Å; L163-L167 VanDerWaalsContact O-N 3.1Å; F165-L167 VanDerWaalsContact C-N 3.33Å; F165-L167 PolarHBondContact O-N 3.41Å; L167-T169 HydrophobicContact CB-CG2 4.09Å; L167-T169 PolarHBondContact O-N 3.24Å; L167-T219 HydrophobicContact CD2-CG2 4.14Å; L167-L223 HydrophobicContact CD2-CD2 3.89Å; L167-L223 HydrophobicContact CD2-CG 4.49Å; L167-A286 HydrophobicContact CB-CB 4Å; L167-A286 WeakPolarHBondContact O-CB 2.97Å; L167-R312 PolarHBondContact O-NH2 3.23Å |
| 168 | Y | 88.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 24.6 | 175.1 | -45.6 | -65.8 | 0 | 0 | 0 | 114.4 | F165 Y166 T173 M177 F216 T219 F308 Y311 R312 | F165-Y168 WeakPolarHBondContact O-CA 3.25Å; F165-Y168 PolarHBondContact O-N 2.84Å; Y166-Y168 VanDerWaalsContact C-N 3.34Å; Y168-T173 HydrophobicContact CD1-CG2 3.77Å; Y168-T173 HydrophobicContact CE1-CG2 4.32Å; Y168-M177 HydrophobicContact CE1-CE 3.98Å; Y168-F216 HydrophobicContact CE2-CD1 4.19Å; Y168-F216 AromaticContact CZ-CD1 3.85Å; Y168-F216 VanDerWaalsContact OH-CD1 3.25Å; Y168-F216 WeakPolarHBondContact OH-CD1 3.37Å; Y168-T219 HydrophobicContact CE2-CG2 4.46Å; Y168-T219 WeakPolarHBondContact CE2-OG1 3.14Å; Y168-T219 PolarHBondContact OH-OG1 2.73Å; Y168-F308 AromaticContact CD1-CD1 3.58Å; Y168-F308 HydrophobicContact CD1-CD1 3.58Å; Y168-F308 AromaticContact CD1-CD2 3.81Å; Y168-F308 HydrophobicContact CD1-CD2 3.81Å; Y168-F308 AromaticContact CD1-CE1 3.31Å; Y168-F308 HydrophobicContact CD1-CE1 3.31Å; Y168-F308 AromaticContact CD1-CE2 3.52Å; Y168-F308 HydrophobicContact CD1-CE2 3.52Å; Y168-F308 AromaticContact CD1-CG 3.85Å; Y168-F308 HydrophobicContact CD1-CG 3.85Å; Y168-F308 AromaticContact CD1-CZ 3.27Å; Y168-F308 HydrophobicContact CD1-CZ 3.27Å; Y168-F308 HydrophobicContact CD2-CB 4.33Å; Y168-F308 AromaticContact CD2-CD1 3.9Å; Y168-F308 HydrophobicContact CD2-CD1 3.9Å; Y168-F308 HydrophobicContact CD2-CE1 4.4Å; Y168-F308 HydrophobicContact CD2-CG 4.08Å; Y168-F308 AromaticContact CE1-CD1 3.66Å; Y168-F308 HydrophobicContact CE1-CD1 3.66Å; Y168-F308 AromaticContact CE1-CE1 3.15Å; Y168-F308 HydrophobicContact CE1-CE1 3.15Å; Y168-F308 HydrophobicContact CE1-CE2 4.19Å; Y168-F308 HydrophobicContact CE1-CG 4.39Å; Y168-F308 AromaticContact CE1-CZ 3.46Å; Y168-F308 HydrophobicContact CE1-CZ 3.46Å; Y168-F308 VanDerWaalsContact CE1-CZ 3.46Å; Y168-F308 AromaticContact CE2-CD1 3.97Å; Y168-F308 HydrophobicContact CE2-CD1 3.97Å; Y168-F308 HydrophobicContact CE2-CE1 4.28Å; Y168-F308 HydrophobicContact CG-CB 4.25Å; Y168-F308 AromaticContact CG-CD1 3.71Å; Y168-F308 HydrophobicContact CG-CD1 3.71Å; Y168-F308 AromaticContact CG-CD2 3.84Å; Y168-F308 HydrophobicContact CG-CD2 3.84Å; Y168-F308 AromaticContact CG-CE1 3.96Å; Y168-F308 HydrophobicContact CG-CE1 3.96Å; Y168-F308 HydrophobicContact CG-CE2 4.04Å; Y168-F308 AromaticContact CG-CG 3.68Å; Y168-F308 HydrophobicContact CG-CG 3.68Å; Y168-F308 HydrophobicContact CG-CZ 4.11Å; Y168-F308 AromaticContact CZ-CD1 3.85Å; Y168-F308 AromaticContact CZ-CE1 3.68Å; Y168-Y311 AromaticContact CE2-CD1 3.99Å; Y168-Y311 HydrophobicContact CE2-CD1 3.99Å; Y168-Y311 HydrophobicContact CE2-CE1 4.27Å; Y168-R312 PolarHBondContact O-NH2 3.05Å |
| 169 | T | 83.4 | Confident | 87.7 | Confident | 14 Ų | 14 | 23.6 Ų | 23.6 | 9% | 0.086 | 14% | 0.142 | C | C | . | . | trans | -87.6 | -26.5 | -177 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | G164 L167 Y282 F285 A286 | G164-T169 WeakPolarHBondContact CA-OG1 3.47Å; G164-T169 PolarHBondContact O-N 3.09Å; G164-T169 PolarHBondContact O-OG1 3.36Å; L167-T169 HydrophobicContact CB-CG2 4.09Å; L167-T169 PolarHBondContact O-N 3.24Å; T169-Y282 HydrophobicContact CG2-CD1 4.32Å; T169-Y282 WeakPolarHBondContact OG1-CD1 3.48Å; T169-F285 HydrophobicContact CG2-CD1 3.58Å; T169-F285 HydrophobicContact CG2-CE1 4.2Å; T169-A286 HydrophobicContact CG2-CB 3.79Å | ||
| 170 | D | 83.1 | Confident | 86.8 | Confident | 54 Ų | 54 | 25.4 Ų | 25.4 | 29% | 0.289 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -77.1 | 123.1 | 171.6 | 176.1 | 12.7 | 0 | 0 | 0 | 110.4 | G164 T172 T173 | G164-D170 PolarHBondContact O-N 2.91Å; D170-T172 PolarHBondContact O-N 3.21Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.41Å; D170-T172 PolarHBondContact OD1-N 3.04Å; D170-T172 PolarHBondContact OD2-OG1 2.91Å; D170-T173 VanDerWaalsContact O-CB 3.22Å; D170-T173 WeakPolarHBondContact O-CB 3.49Å; D170-T173 PolarHBondContact O-N 3.2Å; D170-T173 VanDerWaalsContact O-N 3.13Å; D170-T173 PolarHBondContact O-OG1 2.75Å |
| 171 | P | 78.6 | Confident | 85.8 | Confident | 71 Ų | 71 | 24.8 Ų | 24.8 | 46% | 0.461 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.7 | 175.5 | 24.3 | -36.3 | 0 | 0 | 0 | 114.2 | T173 V174 L662 | P171-T173 PolarHBondContact O-N 3.24Å; P171-V174 PolarHBondContact O-N 2.78Å; P171-L662 HydrophobicContact CG-CD2 4.47Å |
| 172 | T | 83.4 | Confident | 84.5 | Confident | 61 Ų | 61 | 28.5 Ų | 28.5 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.8 | -26 | 179.3 | 80.4 | 0 | 0 | 0 | 0 | 112.5 | D170 V174 N175 V176 | D170-T172 PolarHBondContact O-N 3.21Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.41Å; D170-T172 PolarHBondContact OD1-N 3.04Å; D170-T172 PolarHBondContact OD2-OG1 2.91Å; T172-V174 VanDerWaalsContact C-N 3.26Å; T172-V174 PolarHBondContact O-N 2.93Å; T172-N175 WeakPolarHBondContact O-CB 3.15Å; T172-N175 PolarHBondContact O-N 3.22Å; T172-V176 PolarHBondContact O-N 3.04Å |
| 173 | T | 86.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.3 | -40.2 | 179.8 | -45.1 | 0 | 0 | 0 | 0 | 112.3 | F165 Y168 D170 P171 N175 V176 M177 | F165-T173 HydrophobicContact CD1-CG2 4.28Å; F165-T173 HydrophobicContact CD2-CG2 3.88Å; F165-T173 HydrophobicContact CE1-CG2 4.29Å; F165-T173 HydrophobicContact CE2-CG2 3.9Å; F165-T173 HydrophobicContact CG-CG2 4.09Å; F165-T173 HydrophobicContact CZ-CG2 4.11Å; F165-T173 WeakPolarHBondContact O-CG2 3.13Å; Y168-T173 HydrophobicContact CD1-CG2 3.77Å; Y168-T173 HydrophobicContact CE1-CG2 4.32Å; D170-T173 VanDerWaalsContact O-CB 3.22Å; D170-T173 WeakPolarHBondContact O-CB 3.49Å; D170-T173 PolarHBondContact O-N 3.2Å; D170-T173 VanDerWaalsContact O-N 3.13Å; D170-T173 PolarHBondContact O-OG1 2.75Å; P171-T173 PolarHBondContact O-N 3.24Å; T173-N175 VanDerWaalsContact C-N 3.28Å; T173-N175 PolarHBondContact O-N 3.3Å; T173-V176 PolarHBondContact O-N 2.76Å; T173-M177 HydrophobicContact CG2-CG 4.05Å; T173-M177 WeakPolarHBondContact O-CB 3.46Å; T173-M177 WeakPolarHBondContact O-CG 3.29Å; T173-M177 PolarHBondContact O-N 3.39Å |
| 174 | V | 84.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -41 | -179.7 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | P171 T172 A178 F296 Q301 W305 F308 | P171-V174 PolarHBondContact O-N 2.78Å; T172-V174 VanDerWaalsContact C-N 3.26Å; T172-V174 PolarHBondContact O-N 2.93Å; V174-A178 WeakPolarHBondContact O-CB 3.27Å; V174-A178 PolarHBondContact O-N 2.95Å; V174-F296 HydrophobicContact CB-CE1 4.08Å; V174-F296 HydrophobicContact CB-CZ 4.3Å; V174-F296 HydrophobicContact CG1-CD1 4.23Å; V174-F296 HydrophobicContact CG1-CE1 3.86Å; V174-F296 HydrophobicContact CG1-CZ 4.1Å; V174-F296 HydrophobicContact CG2-CE1 4.13Å; V174-F296 HydrophobicContact CG2-CZ 3.87Å; V174-Q301 HydrophobicContact CG1-CB 3.81Å; V174-Q301 HydrophobicContact CG1-CG 4.15Å; V174-W305 HydrophobicContact CG2-CE3 3.58Å; V174-W305 HydrophobicContact CG2-CZ3 3.97Å; V174-F308 HydrophobicContact CG2-CD2 4.36Å; V174-F308 HydrophobicContact CG2-CE2 4.06Å |
| 175 | N | 85.2 | Confident | 80.1 | Confident | 79 Ų | 79 | 40.8 Ų | 40.8 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 180 | -63.6 | -24.5 | 0 | 0 | 0 | 111.6 | T172 T173 A178 S179 Q301 | T172-N175 WeakPolarHBondContact O-CB 3.15Å; T172-N175 PolarHBondContact O-N 3.22Å; T173-N175 VanDerWaalsContact C-N 3.28Å; T173-N175 PolarHBondContact O-N 3.3Å; N175-A178 PolarHBondContact O-N 2.86Å; N175-S179 PolarHBondContact O-N 2.92Å; N175-S179 VanDerWaalsContact O-N 3.12Å; N175-Q301 PolarHBondContact OD1-NE2 3.22Å |
| 176 | V | 84.8 | Confident | 78.3 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -47 | -179.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | N73 F165 T172 T173 A178 S179 K180 | N73-V176 WeakPolarHBondContact OD1-CG1 3.18Å; N73-V176 WeakPolarHBondContact OD1-CG2 3.06Å; F165-V176 HydrophobicContact CE2-CB 4.16Å; F165-V176 HydrophobicContact CE2-CG1 4.28Å; F165-V176 HydrophobicContact CE2-CG2 4.32Å; F165-V176 HydrophobicContact CZ-CB 4.3Å; F165-V176 HydrophobicContact CZ-CG1 4.02Å; T172-V176 PolarHBondContact O-N 3.04Å; T173-V176 PolarHBondContact O-N 2.76Å; V176-A178 PolarHBondContact O-N 2.91Å; V176-S179 PolarHBondContact O-N 3.2Å; V176-S179 PolarHBondContact O-OG 2.93Å; V176-K180 HydrophobicContact CG1-CD 4.15Å; V176-K180 WeakPolarHBondContact O-CG 3.46Å; V176-K180 PolarHBondContact O-N 2.84Å; V176-K180 VanDerWaalsContact O-N 3.08Å |
| 177 | M | 83.2 | Confident | 76.4 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -29.2 | 179.5 | -67.9 | -69.5 | -124.5 | 0 | 0 | 111.1 | Y168 T173 K180 I181 L184 I304 F308 | Y168-M177 HydrophobicContact CE1-CE 3.98Å; T173-M177 HydrophobicContact CG2-CG 4.05Å; T173-M177 WeakPolarHBondContact O-CB 3.46Å; T173-M177 WeakPolarHBondContact O-CG 3.29Å; T173-M177 PolarHBondContact O-N 3.39Å; M177-K180 PolarHBondContact O-N 3.37Å; M177-I181 PolarHBondContact O-N 3.24Å; M177-L184 HydrophobicContact SD-CD1 3.62Å; M177-I304 VanDerWaalsContact C-CD1 3.48Å; M177-I304 HydrophobicContact CB-CG2 4.16Å; M177-I304 WeakPolarHBondContact O-CD1 3.45Å; M177-F308 HydrophobicContact CB-CZ 3.91Å; M177-F308 HydrophobicContact CG-CZ 3.92Å |
| 178 | A | 80.8 | Confident | 74.6 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V174 N175 V176 K180 I181 Q300 Q301 I304 | V174-A178 WeakPolarHBondContact O-CB 3.27Å; V174-A178 PolarHBondContact O-N 2.95Å; N175-A178 PolarHBondContact O-N 2.86Å; V176-A178 PolarHBondContact O-N 2.91Å; A178-K180 VanDerWaalsContact C-N 3.29Å; A178-K180 PolarHBondContact O-N 3.42Å; A178-I181 WeakPolarHBondContact O-CG2 3.35Å; A178-Q300 HydrophobicContact CB-CB 4.42Å; A178-Q301 HydrophobicContact CB-CG 4.22Å; A178-I304 HydrophobicContact CB-CD1 3.66Å; A178-I304 VanDerWaalsContact N-CD1 3.33Å |
| 179 | S | 80.9 | Confident | 72.7 | Confident | 90 Ų | 90 | 54 Ų | 54 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.5 | -30.7 | 174.9 | 66 | 0 | 0 | 0 | 0 | 112.3 | N175 V176 | N175-S179 PolarHBondContact O-N 2.92Å; N175-S179 VanDerWaalsContact O-N 3.12Å; V176-S179 PolarHBondContact O-N 3.2Å; V176-S179 PolarHBondContact O-OG 2.93Å |
| 180 | K | 77.1 | Confident | 71.2 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -91 | -0.5 | -178 | -64.8 | -172.6 | 177.8 | -163.9 | 0 | 115.1 | E78 V176 M177 A178 N182 I183 L184 | E78-K180 IonicContact OE1-NZ 2.82Å; E78-K180 PolarHBondContact OE1-NZ 3.08Å; V176-K180 HydrophobicContact CG1-CD 4.15Å; V176-K180 WeakPolarHBondContact O-CG 3.46Å; V176-K180 PolarHBondContact O-N 2.84Å; V176-K180 VanDerWaalsContact O-N 3.08Å; M177-K180 PolarHBondContact O-N 3.37Å; A178-K180 VanDerWaalsContact C-N 3.29Å; A178-K180 PolarHBondContact O-N 3.42Å; K180-N182 VanDerWaalsContact C-N 3.26Å; K180-N182 PolarHBondContact O-N 3.42Å; K180-N182 VanDerWaalsContact O-N 3.1Å; K180-I183 PolarHBondContact O-N 2.95Å; K180-L184 HydrophobicContact CB-CD1 3.95Å; K180-L184 HydrophobicContact CB-CG 4.26Å; K180-L184 WeakPolarHBondContact O-CG 3.18Å; K180-L184 PolarHBondContact O-N 3.2Å |
| 181 | I | 72.4 | Confident | 69.5 | Low | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.9 | -37.8 | -170.6 | -160.4 | 179 | 0 | 0 | 0 | 114 | M177 A178 R185 I304 | M177-I181 PolarHBondContact O-N 3.24Å; A178-I181 WeakPolarHBondContact O-CG2 3.35Å; I181-R185 WeakPolarHBondContact O-CG 3.15Å; I181-R185 PolarHBondContact O-N 2.6Å; I181-I304 HydrophobicContact CB-CD1 4.11Å; I181-I304 HydrophobicContact CD1-CD1 3.84Å; I181-I304 HydrophobicContact CD1-CG1 3.84Å; I181-I304 HydrophobicContact CG1-CD1 4.12Å; I181-I304 HydrophobicContact CG1-CG1 4.39Å |
| 182 | N | 67.9 | Low | 68.1 | Low | 116 Ų | 116 | 54.1 Ų | 54.1 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -72.1 | -36.2 | -178.6 | -68.6 | -23.8 | 0 | 0 | 0 | 112 | K180 | K180-N182 VanDerWaalsContact C-N 3.26Å; K180-N182 PolarHBondContact O-N 3.42Å; K180-N182 VanDerWaalsContact O-N 3.1Å |
| 183 | I | 66.5 | Low | 66.3 | Low | 89 Ų | 89 | 53.9 Ų | 53.9 | 46% | 0.456 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.2 | -38.7 | 176.7 | -58 | 170.4 | 0 | 0 | 0 | 109.7 | L86 K180 R185 S186 | L86-I183 HydrophobicContact CD1-CG2 4.33Å; K180-I183 PolarHBondContact O-N 2.95Å; I183-R185 VanDerWaalsContact C-N 3.25Å; I183-R185 PolarHBondContact O-N 3.25Å; I183-S186 PolarHBondContact O-N 3.05Å; I183-S186 VanDerWaalsContact O-N 3.16Å; I183-S186 PolarHBondContact O-OG 3.2Å |
| 184 | L | 61.6 | Low | 64.4 | Low | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -26.7 | 179.2 | -67.8 | 164.6 | 0 | 0 | 0 | 112.8 | L86 M177 K180 S186 G187 L215 | L86-L184 HydrophobicContact CD1-CD2 4Å; M177-L184 HydrophobicContact SD-CD1 3.62Å; K180-L184 HydrophobicContact CB-CD1 3.95Å; K180-L184 HydrophobicContact CB-CG 4.26Å; K180-L184 WeakPolarHBondContact O-CG 3.18Å; K180-L184 PolarHBondContact O-N 3.2Å; L184-S186 VanDerWaalsContact C-N 3.35Å; L184-G187 PolarHBondContact O-N 2.99Å; L184-L215 HydrophobicContact CB-CD1 3.52Å; L184-L215 HydrophobicContact CD1-CD1 3.66Å; L184-L215 HydrophobicContact CG-CD1 4.12Å |
| 185 | R | 61.6 | Low | 62.4 | Low | 161 Ų | 161 | 61.9 Ų | 61.9 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.3 | -32.2 | 173 | -74.7 | -176.9 | -164.2 | -166.5 | 4.6 | 113.2 | I181 I183 G187 | I181-R185 WeakPolarHBondContact O-CG 3.15Å; I181-R185 PolarHBondContact O-N 2.6Å; I183-R185 VanDerWaalsContact C-N 3.25Å; I183-R185 PolarHBondContact O-N 3.25Å; R185-G187 PolarHBondContact O-N 3.5Å |
| 186 | S | 55 | Low | 60.5 | Low | 81 Ų | 81 | 63.1 Ų | 63.1 | 57% | 0.566 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.9 | -21.4 | 178.9 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | I183 L184 S188 | I183-S186 PolarHBondContact O-N 3.05Å; I183-S186 VanDerWaalsContact O-N 3.16Å; I183-S186 PolarHBondContact O-OG 3.2Å; L184-S186 VanDerWaalsContact C-N 3.35Å; S186-S188 PolarHBondContact O-N 3.47Å |
| 187 | G | 51.2 | Low | 58.6 | Low | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -64.6 | 6.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L184 R185 Q189 I190 | L184-G187 PolarHBondContact O-N 2.99Å; R185-G187 PolarHBondContact O-N 3.5Å; G187-Q189 PolarHBondContact O-N 2.85Å; G187-I190 WeakPolarHBondContact O-CG1 3.46Å; G187-I190 PolarHBondContact O-N 3.42Å |
| 188 | S | 51.4 | Low | 56.6 | Low | 52 Ų | 52 | 63.5 Ų | 63.5 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -57.1 | -12.9 | -176.3 | 69.7 | 0 | 0 | 0 | 0 | 115 | S186 R214 | S186-S188 PolarHBondContact O-N 3.47Å; S188-R214 VanDerWaalsContact O-CD 3.26Å; S188-R214 WeakPolarHBondContact O-CD 3.46Å; S188-R214 VanDerWaalsContact O-CZ 3.28Å; S188-R214 PolarHBondContact O-NE 2.88Å; S188-R214 PolarHBondContact O-NH1 3.45Å |
| 189 | Q | 48.7 | Very low | 54.6 | Low | 157 Ų | 157 | 64.4 Ų | 64.4 | 73% | 0.734 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -106.7 | 10.4 | -178.9 | -61.9 | -148.4 | -7.4 | 0 | 0 | 115.4 | G187 P191 | G187-Q189 PolarHBondContact O-N 2.85Å; Q189-P191 WeakPolarHBondContact O-CD 3.37Å |
| 190 | I | 51.1 | Low | 52.3 | Low | 24 Ų | 24 | 64.9 Ų | 64.9 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | trans | -70.7 | 118.1 | 179.2 | -60.2 | 162.1 | 0 | 0 | 0 | 110.2 | T85 L86 P89 G187 V192 W217 | T85-I190 HydrophobicContact CG2-CD1 3.88Å; T85-I190 HydrophobicContact CG2-CG1 4.34Å; T85-I190 HydrophobicContact CG2-CG2 4.27Å; L86-I190 HydrophobicContact CD2-CD1 3.55Å; L86-I190 HydrophobicContact CG-CD1 4.28Å; P89-I190 HydrophobicContact CB-CG1 4.21Å; G187-I190 WeakPolarHBondContact O-CG1 3.46Å; G187-I190 PolarHBondContact O-N 3.42Å; I190-V192 PolarHBondContact O-N 3.44Å; I190-V192 VanDerWaalsContact O-N 3.16Å; I190-W217 HydrophobicContact CD1-CD2 4.24Å; I190-W217 HydrophobicContact CD1-CG 4.47Å; I190-W217 HydrophobicContact CD1-CZ2 4.4Å | ||
| 191 | P | 48.1 | Very low | 50.4 | Low | 70 Ų | 70 | 70 Ų | 70 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | trans | -71.6 | 107.7 | 166.5 | -12 | 31.2 | 0 | 0 | 0 | 107.6 | Y92 Q189 | Y92-P191 VanDerWaalsContact OH-CD 3.27Å; Y92-P191 WeakPolarHBondContact OH-CD 3.42Å; Y92-P191 WeakPolarHBondContact OH-CG 3.48Å; Q189-P191 WeakPolarHBondContact O-CD 3.37Å | ||
| 192 | V | 49.3 | Very low | 48.4 | Very low | 47 Ų | 47 | 76 Ų | 76 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | trans | -73 | 136.5 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 106.6 | I190 Q194 W217 | I190-V192 PolarHBondContact O-N 3.44Å; I190-V192 VanDerWaalsContact O-N 3.16Å; V192-Q194 VanDerWaalsContact C-N 3.3Å; V192-Q194 PolarHBondContact O-N 2.76Å; V192-W217 HydrophobicContact CG2-CB 4.2Å | ||
| 193 | Y | 45.8 | Very low | 46.7 | Very low | 57 Ų | 57 | 78.9 Ų | 78.9 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | trans | -62.5 | 98.8 | 166.8 | -179.5 | -92.3 | 0 | 0 | 0 | 107.8 | L120 L122 N195 Q224 | L120-Y193 HydrophobicContact CD1-CD2 3.37Å; L120-Y193 HydrophobicContact CD1-CE1 4.41Å; L120-Y193 HydrophobicContact CD1-CE2 3.01Å; L120-Y193 HydrophobicContact CD1-CG 4.22Å; L120-Y193 HydrophobicContact CD2-CE1 4.22Å; L120-Y193 HydrophobicContact CD2-CE2 4.23Å; L120-Y193 HydrophobicContact CG-CD2 4.49Å; L120-Y193 HydrophobicContact CG-CE2 4.23Å; L122-Y193 HydrophobicContact CD2-CG 4.39Å; Y193-N195 HydrophobicContact CE1-CB 4.18Å; Y193-N195 PolarHBondContact O-N 3.02Å; Y193-Q224 PolarHBondContact O-OE1 2.97Å | ||
| 194 | Q | 45.2 | Very low | 45 | Very low | 137 Ų | 137 | 78.2 Ų | 78.2 | 64% | 0.64 | 41% | 0.414 | S | S | * | . | trans | -84.6 | 86.7 | 179.2 | -73.5 | 177.7 | -26.6 | 0 | 0 | 108.2 | V192 | V192-Q194 VanDerWaalsContact C-N 3.3Å; V192-Q194 PolarHBondContact O-N 2.76Å | ||
| 195 | N | 43.7 | Very low | 43.5 | Very low | 32 Ų | 32 | 79.9 Ų | 79.9 | 17% | 0.171 | 43% | 0.427 | C | S | . | . | trans | -80 | 128.3 | 138.1 | -88.3 | -3 | 0 | 0 | 0 | 104.5 | S104 Y193 F197 | S104-N195 PolarHBondContact OG-ND2 3.23Å; Y193-N195 HydrophobicContact CE1-CB 4.18Å; Y193-N195 PolarHBondContact O-N 3.02Å; N195-F197 HydrophobicContact CB-CD2 3.8Å; N195-F197 HydrophobicContact CB-CE1 4.13Å; N195-F197 HydrophobicContact CB-CE2 3.13Å; N195-F197 HydrophobicContact CB-CZ 3.34Å; N195-F197 WeakPolarHBondContact O-CD2 3.45Å; N195-F197 PolarHBondContact O-N 3.3Å | ||
| 196 | E | 44.1 | Very low | 42.1 | Very low | 106 Ų | 106 | 79.3 Ų | 79.3 | 50% | 0.495 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -70.1 | 49.7 | -168.3 | -62.1 | 166.2 | 159.6 | 0 | 0 | 113.1 | V198 | E196-V198 PolarHBondContact O-N 2.71Š|
| 197 | F | 45 | Very low | 41.1 | Very low | 15 Ų | 15 | 81.7 Ų | 81.7 | 7% | 0.066 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.5 | -179.7 | -53.1 | -76.1 | 0 | 0 | 0 | 112.2 | N195 Q224 C227 H332 R337 | N195-F197 HydrophobicContact CB-CD2 3.8Å; N195-F197 HydrophobicContact CB-CE1 4.13Å; N195-F197 HydrophobicContact CB-CE2 3.13Å; N195-F197 HydrophobicContact CB-CZ 3.34Å; N195-F197 WeakPolarHBondContact O-CD2 3.45Å; N195-F197 PolarHBondContact O-N 3.3Å; F197-Q224 HydrophobicContact CD2-CB 4.26Å; F197-Q224 HydrophobicContact CD2-CG 4.02Å; F197-Q224 HydrophobicContact CE2-CB 4.19Å; F197-Q224 HydrophobicContact CE2-CG 3.47Å; F197-Q224 VanDerWaalsContact CE2-CG 3.47Å; F197-Q224 HydrophobicContact CZ-CG 4.23Å; F197-C227 HydrophobicContact CD1-CB 4.33Å; F197-C227 HydrophobicContact CE1-CB 4.32Å; F197-H332 CarbonylContact C-O 3.46Å; F197-H332 WeakPolarHBondContact CA-O 3.27Å; F197-H332 HydrophobicContact CD1-CB 4.23Å; F197-R337 VanDerWaalsContact CD1-CZ 3.45Å |
| 198 | V | 42.3 | Very low | 40.5 | Very low | 23 Ų | 23 | 86.4 Ų | 86.4 | 14% | 0.139 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 60.1 | -177.2 | -162.5 | 0 | 0 | 0 | 0 | 109.8 | E196 E220 Y314 L315 | E196-V198 PolarHBondContact O-N 2.71Å; V198-E220 WeakPolarHBondContact CG2-OE2 3.39Å; V198-Y314 HydrophobicContact CG1-CD1 4.23Å; V198-Y314 HydrophobicContact CG1-CE1 3.25Å; V198-Y314 PolarHBondContact O-OH 3.25Å; V198-L315 HydrophobicContact CG1-CD2 4.28Å |
| 199 | G | 38.6 | Very low | 39.8 | Very low | 26 Ų | 26 | 88 Ų | 88 | 27% | 0.268 | 50% | 0.497 | S | S | . | . | trans | 68.1 | 144.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y201 | G199-Y201 PolarHBondContact O-N 2.74Š| ||
| 200 | E | 32.8 | Very low | 39.8 | Very low | 100 Ų | 100 | 85.1 Ų | 85.1 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | trans | -58.1 | 130.8 | 166.6 | -73.5 | -179.3 | 165.4 | 0 | 0 | 109.3 | M202 | E200-M202 PolarHBondContact O-N 2.78Å; E200-M202 VanDerWaalsContact O-N 3.1Å | ||
| 201 | Y | 37 | Very low | 39.6 | Very low | 145 Ų | 145 | 89 Ų | 89 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | trans | -54.7 | 118.4 | 163.4 | -111.7 | -95.3 | 0 | 0 | 0 | 107.6 | G199 N203 | G199-Y201 PolarHBondContact O-N 2.74Å; Y201-N203 PolarHBondContact O-N 2.94Å | ||
| 202 | M | 30.1 | Very low | 40 | Very low | 139 Ų | 139 | 88.6 Ų | 88.6 | 69% | 0.685 | 50% | 0.503 | S | S | * | . | trans | -44.5 | 96.9 | 170.1 | -75.1 | -78.8 | -153 | 0 | 0 | 110.6 | E200 G204 S205 | E200-M202 PolarHBondContact O-N 2.78Å; E200-M202 VanDerWaalsContact O-N 3.1Å; M202-G204 PolarHBondContact O-N 2.95Å; M202-S205 PolarHBondContact SD-OG 2.98Å; M202-S205 VanDerWaalsContact SD-OG 3.42Å | ||
| 203 | N | 31.6 | Very low | 40.3 | Very low | 177 Ų | 177 | 88.1 Ų | 88.1 | 95% | 0.947 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -78 | 10.3 | 160.1 | -87.3 | -16.6 | 0 | 0 | 0 | 111.4 | Y201 | Y201-N203 PolarHBondContact O-N 2.94Š|
| 204 | G | 31.1 | Very low | 41.1 | Very low | 75 Ų | 75 | 92.1 Ų | 92.1 | 77% | 0.773 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -126.8 | -13 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | M202 | M202-G204 PolarHBondContact O-N 2.95Š|
| 205 | S | 30.1 | Very low | 42.3 | Very low | 49 Ų | 49 | 86.4 Ų | 86.4 | 34% | 0.343 | 49% | 0.485 | S | S | . | . | trans | -133.2 | 115 | 177.8 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | M202 D207 | M202-S205 PolarHBondContact SD-OG 2.98Å; M202-S205 VanDerWaalsContact SD-OG 3.42Å; S205-D207 PolarHBondContact O-N 3.45Å | ||
| 206 | T | 32.8 | Very low | 44 | Very low | 149 Ų | 149 | 85.2 Ų | 85.2 | 91% | 0.914 | 48% | 0.479 | S | S | * | . | trans | -68.8 | 46.2 | 169.4 | 42 | 0 | 0 | 0 | 0 | 112.3 | A208 | T206-A208 PolarHBondContact O-N 2.88Å; T206-A208 VanDerWaalsContact O-N 3.15Å | ||
| 207 | D | 33 | Very low | 45.7 | Very low | 131 Ų | 131 | 80.7 Ų | 80.7 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | trans | -79.4 | 99.6 | 166.2 | -83.6 | -18.2 | 0 | 0 | 0 | 108.1 | S205 C209 | S205-D207 PolarHBondContact O-N 3.45Å; D207-C209 PolarHBondContact O-N 3.39Å | ||
| 208 | A | 38.5 | Very low | 47.6 | Very low | 104 Ų | 104 | 80.5 Ų | 80.5 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 17.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T206 | T206-A208 PolarHBondContact O-N 2.88Å; T206-A208 VanDerWaalsContact O-N 3.15Å |
| 209 | C | 37.1 | Very low | 49.7 | Very low | 85 Ų | 85 | 79.5 Ų | 79.5 | 57% | 0.574 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9.5 | -164.7 | -152 | 0 | 0 | 0 | 0 | 115.7 | D207 | D207-C209 PolarHBondContact O-N 3.39Š|
| 210 | F | 47.8 | Very low | 51.8 | Low | 96 Ų | 96 | 80 Ų | 80 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | trans | -143.7 | 62 | -176.2 | -57.4 | -77.4 | 0 | 0 | 0 | 117.6 | D212 F213 N310 | F210-D212 PolarHBondContact O-N 2.86Å; F210-D212 VanDerWaalsContact O-N 3.15Å; F210-F213 HydrophobicContact CB-CD2 3.52Å; F210-F213 HydrophobicContact CB-CE2 3.38Å; F210-F213 HydrophobicContact CD1-CE2 4.31Å; F210-F213 HydrophobicContact CD2-CE2 4.29Å; F210-F213 HydrophobicContact CG-CD2 4.35Å; F210-F213 AromaticContact CG-CE2 3.74Å; F210-F213 HydrophobicContact CG-CE2 3.74Å; F210-N310 HydrophobicContact CE1-CB 4.09Å | ||
| 211 | P | 47.4 | Very low | 54.3 | Low | 106 Ų | 106 | 75.2 Ų | 75.2 | 69% | 0.688 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -62.2 | -12.4 | 163.3 | 25.6 | -32 | 0 | 0 | 0 | 113.7 | ||
| 212 | D | 57.1 | Low | 56.9 | Low | 61 Ų | 61 | 68.3 Ų | 68.3 | 33% | 0.326 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -85.4 | -5.7 | -171.9 | -79.2 | -36.8 | 0 | 0 | 0 | 116 | F210 R214 L215 K307 | F210-D212 PolarHBondContact O-N 2.86Å; F210-D212 VanDerWaalsContact O-N 3.15Å; D212-R214 PolarHBondContact O-N 3.45Å; D212-L215 WeakPolarHBondContact O-CB 3.45Å; D212-L215 PolarHBondContact O-N 2.95Å; D212-K307 HydrophobicContact CB-CD 4.43Å; D212-K307 IonicContact OD1-NZ 2.79Å; D212-K307 PolarHBondContact OD1-NZ 2.65Å; D212-K307 WeakPolarHBondContact OD2-CE 2.99Å; D212-K307 IonicContact OD2-NZ 3.2Å; D212-K307 PolarHBondContact OD2-NZ 2.74Å |
| 213 | F | 55.3 | Low | 59.7 | Low | 38 Ų | 38 | 61.9 Ų | 61.9 | 17% | 0.167 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -55.1 | -30 | 178.9 | -88.5 | -71.9 | 0 | 0 | 0 | 113.2 | F210 L215 F216 Y311 Y314 | F210-F213 HydrophobicContact CB-CD2 3.52Å; F210-F213 HydrophobicContact CB-CE2 3.38Å; F210-F213 HydrophobicContact CD1-CE2 4.31Å; F210-F213 HydrophobicContact CD2-CE2 4.29Å; F210-F213 HydrophobicContact CG-CD2 4.35Å; F210-F213 AromaticContact CG-CE2 3.74Å; F210-F213 HydrophobicContact CG-CE2 3.74Å; F213-L215 PolarHBondContact O-N 3.26Å; F213-L215 VanDerWaalsContact O-N 3.11Å; F213-F216 HydrophobicContact CD1-CD2 4.39Å; F213-F216 PolarHBondContact O-N 3.46Å; F213-Y311 AromaticContact CD1-CD2 3.86Å; F213-Y311 HydrophobicContact CD1-CD2 3.86Å; F213-Y311 HydrophobicContact CD1-CE2 4.06Å; F213-Y311 AromaticContact CE1-CD2 3.66Å; F213-Y311 HydrophobicContact CE1-CD2 3.66Å; F213-Y311 HydrophobicContact CE1-CE2 4.04Å; F213-Y314 HydrophobicContact CD1-CD1 4.45Å; F213-Y314 HydrophobicContact CD1-CE1 4.21Å; F213-Y314 AromaticContact CE1-CD1 3.31Å; F213-Y314 HydrophobicContact CE1-CD1 3.31Å; F213-Y314 AromaticContact CE1-CD2 3.94Å; F213-Y314 HydrophobicContact CE1-CD2 3.94Å; F213-Y314 AromaticContact CE1-CE1 3.35Å; F213-Y314 HydrophobicContact CE1-CE1 3.35Å; F213-Y314 HydrophobicContact CE1-CE2 4.01Å; F213-Y314 AromaticContact CE1-CG 3.56Å; F213-Y314 HydrophobicContact CE1-CG 3.56Å; F213-Y314 AromaticContact CE1-CZ 3.74Å; F213-Y314 HydrophobicContact CE2-CD2 4.34Å; F213-Y314 HydrophobicContact CE2-CE2 4.3Å; F213-Y314 AromaticContact CZ-CD1 3.68Å; F213-Y314 HydrophobicContact CZ-CD1 3.68Å; F213-Y314 AromaticContact CZ-CD2 3.38Å; F213-Y314 HydrophobicContact CZ-CD2 3.38Å; F213-Y314 AromaticContact CZ-CE1 3.82Å; F213-Y314 HydrophobicContact CZ-CE1 3.82Å; F213-Y314 AromaticContact CZ-CE2 3.57Å; F213-Y314 HydrophobicContact CZ-CE2 3.57Å; F213-Y314 AromaticContact CZ-CG 3.4Å; F213-Y314 HydrophobicContact CZ-CG 3.4Å; F213-Y314 VanDerWaalsContact CZ-CG 3.4Å; F213-Y314 AromaticContact CZ-CZ 3.79Å |
| 214 | R | 63.2 | Low | 62.2 | Low | 141 Ų | 141 | 53.9 Ų | 53.9 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -61.8 | -18 | 176.2 | -58.8 | -172 | -175.3 | 166.8 | 5.1 | 113.2 | S188 D212 F216 W217 | S188-R214 VanDerWaalsContact O-CD 3.26Å; S188-R214 WeakPolarHBondContact O-CD 3.46Å; S188-R214 VanDerWaalsContact O-CZ 3.28Å; S188-R214 PolarHBondContact O-NE 2.88Å; S188-R214 PolarHBondContact O-NH1 3.45Å; D212-R214 PolarHBondContact O-N 3.45Å; R214-F216 PolarHBondContact O-N 3.31Å; R214-W217 VanDerWaalsContact O-CD1 3.25Å |
| 215 | L | 69.8 | Low | 65 | Low | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -66.8 | -25.4 | 173.5 | -174.5 | 61.8 | 0 | 0 | 0 | 112.4 | L184 D212 F213 K307 | L184-L215 HydrophobicContact CB-CD1 3.52Å; L184-L215 HydrophobicContact CD1-CD1 3.66Å; L184-L215 HydrophobicContact CG-CD1 4.12Å; D212-L215 WeakPolarHBondContact O-CB 3.45Å; D212-L215 PolarHBondContact O-N 2.95Å; F213-L215 PolarHBondContact O-N 3.26Å; F213-L215 VanDerWaalsContact O-N 3.11Å; L215-K307 HydrophobicContact CD2-CB 4.48Å; L215-K307 HydrophobicContact CD2-CD 3.75Å |
| 216 | F | 78.7 | Confident | 67.8 | Low | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -104.6 | 13.6 | -169.6 | -46.1 | -57.4 | 0 | 0 | 0 | 113.6 | Y168 F213 R214 Q218 T219 E220 K307 F308 Y311 | Y168-F216 HydrophobicContact CE2-CD1 4.19Å; Y168-F216 AromaticContact CZ-CD1 3.85Å; Y168-F216 VanDerWaalsContact OH-CD1 3.25Å; Y168-F216 WeakPolarHBondContact OH-CD1 3.37Å; F213-F216 HydrophobicContact CD1-CD2 4.39Å; F213-F216 PolarHBondContact O-N 3.46Å; R214-F216 PolarHBondContact O-N 3.31Å; F216-Q218 PolarHBondContact O-N 3.07Å; F216-Q218 VanDerWaalsContact O-N 3.08Å; F216-T219 WeakPolarHBondContact O-CA 3.48Å; F216-T219 WeakPolarHBondContact O-CB 3.36Å; F216-T219 PolarHBondContact O-N 3.19Å; F216-E220 PolarHBondContact O-N 3.14Å; F216-K307 HydrophobicContact CZ-CB 3.97Å; F216-K307 WeakPolarHBondContact CZ-O 3.47Å; F216-F308 HydrophobicContact CD1-CD1 4.38Å; F216-F308 HydrophobicContact CD1-CE1 4.46Å; F216-F308 AromaticContact CE1-CD1 3.66Å; F216-F308 HydrophobicContact CE1-CD1 3.66Å; F216-F308 AromaticContact CE1-CE1 3.94Å; F216-F308 HydrophobicContact CE1-CE1 3.94Å; F216-Y311 HydrophobicContact CB-CD1 4.37Å; F216-Y311 HydrophobicContact CB-CD2 4.01Å; F216-Y311 HydrophobicContact CB-CE1 4.18Å; F216-Y311 HydrophobicContact CB-CE2 3.83Å; F216-Y311 HydrophobicContact CB-CG 4.29Å; F216-Y311 HydrophobicContact CD1-CD1 4.48Å; F216-Y311 HydrophobicContact CD1-CG 4.31Å; F216-Y311 HydrophobicContact CD2-CD1 4.34Å; F216-Y311 AromaticContact CD2-CD2 3.24Å; F216-Y311 HydrophobicContact CD2-CD2 3.24Å; F216-Y311 AromaticContact CD2-CE2 3.89Å; F216-Y311 HydrophobicContact CD2-CE2 3.89Å; F216-Y311 AromaticContact CD2-CG 3.52Å; F216-Y311 HydrophobicContact CD2-CG 3.52Å; F216-Y311 VanDerWaalsContact CE2-CB 3.5Å; F216-Y311 AromaticContact CE2-CD2 3.82Å; F216-Y311 HydrophobicContact CE2-CD2 3.82Å; F216-Y311 AromaticContact CE2-CG 3.81Å; F216-Y311 HydrophobicContact CE2-CG 3.81Å; F216-Y311 HydrophobicContact CG-CD1 4.13Å; F216-Y311 AromaticContact CG-CD2 3.74Å; F216-Y311 HydrophobicContact CG-CD2 3.74Å; F216-Y311 HydrophobicContact CG-CE1 4.44Å; F216-Y311 HydrophobicContact CG-CE2 4.1Å; F216-Y311 AromaticContact CG-CG 3.76Å; F216-Y311 HydrophobicContact CG-CG 3.76Å; F216-Y311 HydrophobicContact CZ-CG 4.27Å |
| 217 | W | 80.2 | Confident | 70.3 | Confident | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.2 | -31.1 | -178.3 | 72.1 | -91 | 0 | 0 | 0 | 113.5 | T85 L86 F125 I190 V192 R214 E220 A221 | T85-W217 HydrophobicContact CG2-CE3 4.49Å; T85-W217 HydrophobicContact CG2-CH2 3.49Å; T85-W217 VanDerWaalsContact CG2-CH2 3.49Å; T85-W217 HydrophobicContact CG2-CZ2 4.05Å; T85-W217 HydrophobicContact CG2-CZ3 3.75Å; L86-W217 HydrophobicContact CG-CZ2 4.36Å; F125-W217 HydrophobicContact CB-CH2 3.71Å; F125-W217 HydrophobicContact CB-CZ3 3.74Å; F125-W217 HydrophobicContact CD1-CE3 4.28Å; F125-W217 AromaticContact CD1-CH2 3.9Å; F125-W217 HydrophobicContact CD1-CH2 3.9Å; F125-W217 AromaticContact CD1-CZ3 3.42Å; F125-W217 HydrophobicContact CD1-CZ3 3.42Å; F125-W217 VanDerWaalsContact CD1-CZ3 3.42Å; F125-W217 HydrophobicContact CD2-CH2 4.5Å; F125-W217 HydrophobicContact CE1-CZ3 4.23Å; F125-W217 AromaticContact CG-CH2 3.78Å; F125-W217 HydrophobicContact CG-CH2 3.78Å; F125-W217 AromaticContact CG-CZ3 3.74Å; F125-W217 HydrophobicContact CG-CZ3 3.74Å; I190-W217 HydrophobicContact CD1-CD2 4.24Å; I190-W217 HydrophobicContact CD1-CG 4.47Å; I190-W217 HydrophobicContact CD1-CZ2 4.4Å; V192-W217 HydrophobicContact CG2-CB 4.2Å; R214-W217 VanDerWaalsContact O-CD1 3.25Å; W217-E220 PolarHBondContact O-N 3.13Å; W217-A221 WeakPolarHBondContact O-CB 3.07Å; W217-A221 PolarHBondContact O-N 2.99Å |
| 218 | Q | 86 | Confident | 72.7 | Confident | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -43.4 | 175.4 | -64.3 | -177.8 | -29.9 | 0 | 0 | 111.7 | F125 Y166 F216 E220 A221 V222 | F125-Q218 HydrophobicContact CE1-CB 3.84Å; F125-Q218 HydrophobicContact CE1-CG 4.05Å; F125-Q218 HydrophobicContact CZ-CB 3.89Å; F125-Q218 HydrophobicContact CZ-CG 4.07Å; Y166-Q218 HydrophobicContact CD1-CB 3.83Å; Y166-Q218 HydrophobicContact CE1-CB 3.9Å; Y166-Q218 HydrophobicContact CE1-CG 4.5Å; F216-Q218 PolarHBondContact O-N 3.07Å; F216-Q218 VanDerWaalsContact O-N 3.08Å; Q218-E220 VanDerWaalsContact C-N 3.33Å; Q218-A221 PolarHBondContact O-N 3.03Å; Q218-V222 WeakPolarHBondContact O-CG2 3.33Å; Q218-V222 PolarHBondContact O-N 2.74Å |
| 219 | T | 85.8 | Confident | 75 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 175.1 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | Y166 L167 Y168 F216 A221 V222 L223 Y311 | Y166-T219 WeakPolarHBondContact O-CB 3.38Å; Y166-T219 WeakPolarHBondContact O-CG2 3.29Å; Y166-T219 PolarHBondContact O-OG1 3Å; L167-T219 HydrophobicContact CD2-CG2 4.14Å; Y168-T219 HydrophobicContact CE2-CG2 4.46Å; Y168-T219 WeakPolarHBondContact CE2-OG1 3.14Å; Y168-T219 PolarHBondContact OH-OG1 2.73Å; F216-T219 WeakPolarHBondContact O-CA 3.48Å; F216-T219 WeakPolarHBondContact O-CB 3.36Å; F216-T219 PolarHBondContact O-N 3.19Å; T219-A221 PolarHBondContact O-N 3.47Å; T219-V222 PolarHBondContact O-N 2.9Å; T219-L223 HydrophobicContact CG2-CD1 3.98Å; T219-L223 HydrophobicContact CG2-CG 4.18Å; T219-L223 WeakPolarHBondContact O-CB 3.36Å; T219-L223 WeakPolarHBondContact O-CG 3.45Å; T219-L223 PolarHBondContact O-N 3.45Å; T219-Y311 HydrophobicContact CG2-CE1 3.75Å |
| 220 | E | 82.7 | Confident | 77.4 | Confident | 36 Ų | 36 | 26.4 Ų | 26.4 | 17% | 0.168 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 175.6 | -67.6 | -61.1 | 159.2 | 0 | 0 | 111.6 | V198 F216 W217 Q218 V222 L223 Q224 Y311 | V198-E220 WeakPolarHBondContact CG2-OE2 3.39Å; F216-E220 PolarHBondContact O-N 3.14Å; W217-E220 PolarHBondContact O-N 3.13Å; Q218-E220 VanDerWaalsContact C-N 3.33Å; E220-V222 VanDerWaalsContact C-N 3.3Å; E220-V222 PolarHBondContact O-N 3.3Å; E220-L223 PolarHBondContact O-N 3.46Å; E220-Q224 WeakPolarHBondContact O-CB 3.21Å; E220-Q224 PolarHBondContact O-N 3.18Å; E220-Y311 WeakPolarHBondContact OE1-CE2 3.32Å; E220-Y311 VanDerWaalsContact OE1-CZ 3.31Å; E220-Y311 PolarHBondContact OE1-OH 2.82Å |
| 221 | A | 85.3 | Confident | 79.2 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.7 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F125 T126 W217 Q218 T219 A225 | F125-A221 HydrophobicContact CD1-CB 4.07Å; F125-A221 HydrophobicContact CE1-CB 3.96Å; T126-A221 HydrophobicContact CG2-CB 4.28Å; T126-A221 WeakPolarHBondContact OG1-CB 3.47Å; W217-A221 WeakPolarHBondContact O-CB 3.07Å; W217-A221 PolarHBondContact O-N 2.99Å; Q218-A221 PolarHBondContact O-N 3.03Å; T219-A221 PolarHBondContact O-N 3.47Å; A221-A225 WeakPolarHBondContact O-CB 3.22Å; A221-A225 PolarHBondContact O-N 2.85Å |
| 222 | V | 91.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.5 | -48.1 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | M129 M133 Y166 Q218 T219 E220 Q224 A225 V226 | M129-V222 HydrophobicContact CE-CG2 4.29Å; M129-V222 HydrophobicContact CG-CG2 4.05Å; M129-V222 HydrophobicContact SD-CG2 3.88Å; M133-V222 HydrophobicContact CE-CG1 4.13Å; Y166-V222 HydrophobicContact CD2-CG2 3.63Å; Y166-V222 HydrophobicContact CE2-CG2 4.25Å; Y166-V222 HydrophobicContact CG-CG2 3.83Å; Q218-V222 WeakPolarHBondContact O-CG2 3.33Å; Q218-V222 PolarHBondContact O-N 2.74Å; T219-V222 PolarHBondContact O-N 2.9Å; E220-V222 VanDerWaalsContact C-N 3.3Å; E220-V222 PolarHBondContact O-N 3.3Å; V222-Q224 VanDerWaalsContact C-N 3.27Å; V222-Q224 PolarHBondContact O-N 3.15Å; V222-A225 PolarHBondContact O-N 3.35Å; V222-V226 WeakPolarHBondContact O-CG2 3.49Å; V222-V226 PolarHBondContact O-N 2.95Å |
| 223 | L | 89.5 | Confident | 80.8 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 178.2 | -71.7 | 179.5 | 0 | 0 | 0 | 111.5 | L167 T219 E220 V226 C227 F279 F283 L315 I334 | L167-L223 HydrophobicContact CD2-CD2 3.89Å; L167-L223 HydrophobicContact CD2-CG 4.49Å; T219-L223 HydrophobicContact CG2-CD1 3.98Å; T219-L223 HydrophobicContact CG2-CG 4.18Å; T219-L223 WeakPolarHBondContact O-CB 3.36Å; T219-L223 WeakPolarHBondContact O-CG 3.45Å; T219-L223 PolarHBondContact O-N 3.45Å; E220-L223 PolarHBondContact O-N 3.46Å; L223-V226 PolarHBondContact O-N 3.07Å; L223-C227 WeakPolarHBondContact O-CB 3.28Å; L223-C227 PolarHBondContact O-N 3.33Å; L223-C227 PolarHBondContact O-SG 3.45Å; L223-F279 HydrophobicContact CD2-CE2 3.76Å; L223-F279 HydrophobicContact CD2-CZ 4.04Å; L223-F283 HydrophobicContact CD2-CD2 4.46Å; L223-F283 HydrophobicContact CD2-CE2 4.4Å; L223-L315 HydrophobicContact CD1-CD1 4.25Å; L223-L315 HydrophobicContact CD1-CD2 4.04Å; L223-I334 HydrophobicContact CB-CD1 4.35Å; L223-I334 HydrophobicContact CD1-CD1 4.04Å; L223-I334 HydrophobicContact CD2-CD1 4.01Å; L223-I334 HydrophobicContact CG-CD1 4.37Å |
| 224 | Q | 83.9 | Confident | 80.7 | Confident | 9 Ų | 9 | 21.1 Ų | 21.1 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 173.8 | 173.3 | 172.9 | 8 | 0 | 0 | 111.8 | F130 Y193 F197 E220 V222 V226 C227 E228 | F130-Q224 HydrophobicContact CE2-CG 3.89Å; F130-Q224 HydrophobicContact CZ-CG 3.76Å; Y193-Q224 PolarHBondContact O-OE1 2.97Å; F197-Q224 HydrophobicContact CD2-CB 4.26Å; F197-Q224 HydrophobicContact CD2-CG 4.02Å; F197-Q224 HydrophobicContact CE2-CB 4.19Å; F197-Q224 HydrophobicContact CE2-CG 3.47Å; F197-Q224 VanDerWaalsContact CE2-CG 3.47Å; F197-Q224 HydrophobicContact CZ-CG 4.23Å; E220-Q224 WeakPolarHBondContact O-CB 3.21Å; E220-Q224 PolarHBondContact O-N 3.18Å; V222-Q224 VanDerWaalsContact C-N 3.27Å; V222-Q224 PolarHBondContact O-N 3.15Å; Q224-V226 VanDerWaalsContact C-N 3.29Å; Q224-V226 PolarHBondContact O-N 3.46Å; Q224-C227 WeakPolarHBondContact O-CB 3.32Å; Q224-C227 PolarHBondContact O-N 3.02Å; Q224-C227 VanDerWaalsContact O-N 3.14Å; Q224-E228 WeakPolarHBondContact O-CB 3.34Å; Q224-E228 PolarHBondContact O-N 3.47Å |
| 225 | A | 88.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M129 F130 M133 A221 V222 E228 F229 | M129-A225 HydrophobicContact CB-CB 4.31Å; F130-A225 HydrophobicContact CD2-CB 3.77Å; F130-A225 HydrophobicContact CE2-CB 4Å; M133-A225 HydrophobicContact CB-CB 3.99Å; M133-A225 HydrophobicContact CG-CB 3.53Å; A221-A225 WeakPolarHBondContact O-CB 3.22Å; A221-A225 PolarHBondContact O-N 2.85Å; V222-A225 PolarHBondContact O-N 3.35Å; A225-E228 PolarHBondContact O-N 3.3Å; A225-F229 HydrophobicContact CB-CD2 4.48Å; A225-F229 VanDerWaalsContact O-CD2 3.29Å; A225-F229 WeakPolarHBondContact O-CD2 3.38Å; A225-F229 PolarHBondContact O-N 3.29Å |
| 226 | V | 90.1 | Very high | 78.3 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 171.4 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | M133 V222 L223 Q224 E228 L230 L231 F279 | M133-V226 HydrophobicContact CE-CG2 3.78Å; M133-V226 HydrophobicContact SD-CG2 4.18Å; V222-V226 WeakPolarHBondContact O-CG2 3.49Å; V222-V226 PolarHBondContact O-N 2.95Å; L223-V226 PolarHBondContact O-N 3.07Å; Q224-V226 VanDerWaalsContact C-N 3.29Å; Q224-V226 PolarHBondContact O-N 3.46Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 3.22Å; V226-L230 HydrophobicContact CG1-CB 4.37Å; V226-L230 HydrophobicContact CG1-CD1 4.27Å; V226-L230 HydrophobicContact CG2-CD1 4.3Å; V226-L230 WeakPolarHBondContact O-CA 3.28Å; V226-L230 VanDerWaalsContact O-CB 3.29Å; V226-L230 WeakPolarHBondContact O-CB 3.07Å; V226-L230 PolarHBondContact O-N 2.92Å; V226-L231 HydrophobicContact CG1-CD1 4.31Å; V226-L231 HydrophobicContact CG1-CG 4.33Å; V226-L231 PolarHBondContact O-N 2.98Å; V226-L231 VanDerWaalsContact O-N 3.1Å; V226-F279 HydrophobicContact CB-CE2 4.49Å; V226-F279 HydrophobicContact CG1-CD1 3.87Å; V226-F279 HydrophobicContact CG1-CD2 3.91Å; V226-F279 HydrophobicContact CG1-CE1 3.92Å; V226-F279 HydrophobicContact CG1-CE2 3.97Å; V226-F279 HydrophobicContact CG1-CG 3.86Å; V226-F279 HydrophobicContact CG1-CZ 3.97Å; V226-F279 HydrophobicContact CG2-CD2 4.12Å; V226-F279 HydrophobicContact CG2-CE2 4.36Å |
| 227 | C | 85.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -59 | -46.1 | 177.7 | -73.2 | 0 | 0 | 0 | 0 | 111.1 | F197 L223 Q224 L231 S232 | F197-C227 HydrophobicContact CD1-CB 4.33Å; F197-C227 HydrophobicContact CE1-CB 4.32Å; L223-C227 WeakPolarHBondContact O-CB 3.28Å; L223-C227 PolarHBondContact O-N 3.33Å; L223-C227 PolarHBondContact O-SG 3.45Å; Q224-C227 WeakPolarHBondContact O-CB 3.32Å; Q224-C227 PolarHBondContact O-N 3.02Å; Q224-C227 VanDerWaalsContact O-N 3.14Å; C227-L231 CarbonylContact O-C 3.58Å; C227-S232 VanDerWaalsContact O-CB 3.24Å; C227-S232 WeakPolarHBondContact O-CB 3.46Å; C227-S232 PolarHBondContact O-N 3.3Å; C227-S232 PolarHBondContact O-OG 2.75Å |
| 228 | E | 82.4 | Confident | 74.4 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -70.9 | -42.7 | -172.9 | -163.7 | 61.3 | -152.3 | 0 | 0 | 113.1 | L100 S101 S104 F130 Q224 A225 V226 S232 | L100-E228 WeakPolarHBondContact CB-OE1 3.37Å; L100-E228 HydrophobicContact CD2-CG 3.79Å; S101-E228 WeakPolarHBondContact CA-OE1 3.34Å; S101-E228 WeakPolarHBondContact CB-OE1 3.48Å; S101-E228 PolarHBondContact N-OE1 3.1Å; S101-E228 PolarHBondContact OG-OE1 2.87Å; S101-E228 PolarHBondContact OG-OE2 3.32Å; S104-E228 WeakPolarHBondContact CB-OE1 3.11Å; S104-E228 VanDerWaalsContact OG-CD 3.23Å; S104-E228 PolarHBondContact OG-OE1 3.02Å; S104-E228 PolarHBondContact OG-OE2 3.45Å; F130-E228 HydrophobicContact CE1-CG 4.45Å; Q224-E228 WeakPolarHBondContact O-CB 3.34Å; Q224-E228 PolarHBondContact O-N 3.47Å; A225-E228 PolarHBondContact O-N 3.3Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 3.22Å; E228-S232 WeakPolarHBondContact O-CB 3.36Å |
| 229 | F | 87.2 | Confident | 72.1 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -105.9 | -25.9 | -171.3 | -61.7 | -72.3 | 0 | 0 | 0 | 114.5 | F95 L99 L100 F130 M133 C134 S137 A225 | F95-F229 HydrophobicContact CE1-CE1 4.26Å; F95-F229 AromaticContact CE1-CZ 3.71Å; F95-F229 HydrophobicContact CE1-CZ 3.71Å; F95-F229 HydrophobicContact CZ-CE1 4.27Å; F95-F229 AromaticContact CZ-CZ 3.7Å; F95-F229 HydrophobicContact CZ-CZ 3.7Å; L99-F229 HydrophobicContact CB-CE1 4.48Å; L99-F229 WeakPolarHBondContact O-CE1 3.18Å; L100-F229 HydrophobicContact CD2-CZ 4.02Å; F130-F229 HydrophobicContact CB-CE2 3.7Å; F130-F229 HydrophobicContact CB-CZ 4.09Å; F130-F229 AromaticContact CD1-CE2 3.54Å; F130-F229 HydrophobicContact CD1-CE2 3.54Å; F130-F229 AromaticContact CD1-CZ 3.73Å; F130-F229 HydrophobicContact CD1-CZ 3.73Å; F130-F229 HydrophobicContact CD2-CE2 4.28Å; F130-F229 HydrophobicContact CE1-CE2 4.17Å; F130-F229 HydrophobicContact CE1-CZ 4.44Å; F130-F229 AromaticContact CG-CE2 3.59Å; F130-F229 HydrophobicContact CG-CE2 3.59Å; F130-F229 HydrophobicContact CG-CZ 4.14Å; F130-F229 WeakPolarHBondContact O-CE2 3.22Å; M133-F229 HydrophobicContact CB-CB 4.03Å; M133-F229 HydrophobicContact CB-CD2 3.8Å; M133-F229 HydrophobicContact CB-CG 4.25Å; C134-F229 HydrophobicContact CB-CD1 3.73Å; C134-F229 HydrophobicContact CB-CD2 4.49Å; C134-F229 HydrophobicContact CB-CE1 3.69Å; C134-F229 HydrophobicContact CB-CE2 4.48Å; C134-F229 HydrophobicContact CB-CG 4.15Å; C134-F229 HydrophobicContact CB-CZ 4.09Å; S137-F229 PolarHBondContact OG-O 3.16Å; A225-F229 HydrophobicContact CB-CD2 4.48Å; A225-F229 VanDerWaalsContact O-CD2 3.29Å; A225-F229 WeakPolarHBondContact O-CD2 3.38Å; A225-F229 PolarHBondContact O-N 3.29Å |
| 230 | L | 88.9 | Confident | 69.7 | Low | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -103 | -36.7 | -178.1 | -57.2 | -176.6 | 0 | 0 | 0 | 113.1 | M133 F159 V226 Q272 L275 V276 | M133-L230 HydrophobicContact SD-CD1 4.29Å; F159-L230 HydrophobicContact CE2-CD1 3.84Å; F159-L230 HydrophobicContact CZ-CD1 3.88Å; V226-L230 HydrophobicContact CG1-CB 4.37Å; V226-L230 HydrophobicContact CG1-CD1 4.27Å; V226-L230 HydrophobicContact CG2-CD1 4.3Å; V226-L230 WeakPolarHBondContact O-CA 3.28Å; V226-L230 VanDerWaalsContact O-CB 3.29Å; V226-L230 WeakPolarHBondContact O-CB 3.07Å; V226-L230 PolarHBondContact O-N 2.92Å; L230-Q272 HydrophobicContact CD2-CG 4.31Å; L230-Q272 PolarHBondContact O-NE2 3Å; L230-L275 HydrophobicContact CD1-CB 4.31Å; L230-L275 HydrophobicContact CD2-CD1 4.39Å; L230-V276 HydrophobicContact CB-CG2 3.93Å |
| 231 | L | 85.1 | Confident | 67.7 | Low | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -102.3 | -27.8 | -176.9 | -57.8 | 178.7 | 0 | 0 | 0 | 114 | V226 C227 V276 F279 I334 R337 F338 F341 | V226-L231 HydrophobicContact CG1-CD1 4.31Å; V226-L231 HydrophobicContact CG1-CG 4.33Å; V226-L231 PolarHBondContact O-N 2.98Å; V226-L231 VanDerWaalsContact O-N 3.1Å; C227-L231 CarbonylContact O-C 3.58Å; L231-V276 HydrophobicContact CD2-CG1 3.95Å; L231-V276 HydrophobicContact CD2-CG2 4.15Å; L231-F279 HydrophobicContact CD1-CE1 4.5Å; L231-I334 HydrophobicContact CD1-CG2 4.08Å; L231-R337 HydrophobicContact CB-CB 4.28Å; L231-R337 HydrophobicContact CD1-CB 4.48Å; L231-F338 HydrophobicContact CD2-CB 4.26Å; L231-F338 HydrophobicContact CD2-CD2 4.13Å; L231-F341 HydrophobicContact CD2-CD1 4.43Å |
| 232 | S | 73.4 | Confident | 65.4 | Low | 17 Ų | 17 | 42.7 Ų | 42.7 | 12% | 0.119 | 24% | 0.235 | C | C | . | . | trans | -85.9 | 137.9 | 179 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | S101 C227 E228 R337 | S101-S232 VanDerWaalsContact CB-CB 3.44Å; C227-S232 VanDerWaalsContact O-CB 3.24Å; C227-S232 WeakPolarHBondContact O-CB 3.46Å; C227-S232 PolarHBondContact O-N 3.3Å; C227-S232 PolarHBondContact O-OG 2.75Å; E228-S232 WeakPolarHBondContact O-CB 3.36Å; S232-R337 PolarHBondContact OG-NH1 2.79Å | ||
| 233 | W | 63.6 | Low | 62.9 | Low | 43 Ų | 43 | 48 Ų | 48 | 16% | 0.163 | 27% | 0.267 | C | S | . | . | trans | -137.6 | 154.4 | 179.7 | 69.1 | -71.9 | 0 | 0 | 0 | 109.5 | T235 S239 Y344 | W233-T235 HydrophobicContact CD2-CG2 3.56Å; W233-T235 HydrophobicContact CE3-CG2 3.96Å; W233-T235 HydrophobicContact CG-CG2 4.19Å; W233-T235 HydrophobicContact CH2-CG2 3.47Å; W233-T235 VanDerWaalsContact CH2-CG2 3.47Å; W233-T235 HydrophobicContact CZ2-CG2 3.1Å; W233-T235 HydrophobicContact CZ3-CG2 3.9Å; W233-T235 PolarHBondContact O-N 3.47Å; W233-S239 WeakPolarHBondContact CH2-OG 3.46Å; W233-S239 WeakPolarHBondContact CZ2-OG 3.3Å; W233-Y344 HydrophobicContact CD2-CD1 4.25Å; W233-Y344 HydrophobicContact CD2-CD2 4.39Å; W233-Y344 HydrophobicContact CD2-CE1 4.47Å; W233-Y344 HydrophobicContact CD2-CG 4.19Å; W233-Y344 AromaticContact CE2-CD2 3.91Å; W233-Y344 AromaticContact CE2-CG 3.73Å; W233-Y344 HydrophobicContact CE3-CD1 4.26Å; W233-Y344 HydrophobicContact CE3-CD2 4.14Å; W233-Y344 HydrophobicContact CE3-CE1 4.05Å; W233-Y344 AromaticContact CE3-CE2 3.92Å; W233-Y344 HydrophobicContact CE3-CE2 3.92Å; W233-Y344 HydrophobicContact CE3-CG 4.28Å; W233-Y344 AromaticContact CE3-CZ 3.85Å; W233-Y344 HydrophobicContact CH2-CD1 4.4Å; W233-Y344 AromaticContact CH2-CD2 2.94Å; W233-Y344 HydrophobicContact CH2-CD2 2.94Å; W233-Y344 HydrophobicContact CH2-CE1 4.5Å; W233-Y344 AromaticContact CH2-CE2 3.08Å; W233-Y344 HydrophobicContact CH2-CE2 3.08Å; W233-Y344 AromaticContact CH2-CG 3.66Å; W233-Y344 HydrophobicContact CH2-CG 3.66Å; W233-Y344 AromaticContact CH2-CZ 3.89Å; W233-Y344 HydrophobicContact CZ2-CD1 4.29Å; W233-Y344 AromaticContact CZ2-CD2 3.17Å; W233-Y344 HydrophobicContact CZ2-CD2 3.17Å; W233-Y344 AromaticContact CZ2-CE2 3.81Å; W233-Y344 HydrophobicContact CZ2-CE2 3.81Å; W233-Y344 AromaticContact CZ2-CG 3.44Å; W233-Y344 HydrophobicContact CZ2-CG 3.44Å; W233-Y344 VanDerWaalsContact CZ2-CG 3.44Å; W233-Y344 HydrophobicContact CZ3-CD1 4.35Å; W233-Y344 AromaticContact CZ3-CD2 3.47Å; W233-Y344 HydrophobicContact CZ3-CD2 3.47Å; W233-Y344 VanDerWaalsContact CZ3-CD2 3.47Å; W233-Y344 HydrophobicContact CZ3-CE1 4.09Å; W233-Y344 AromaticContact CZ3-CE2 3.12Å; W233-Y344 HydrophobicContact CZ3-CE2 3.12Å; W233-Y344 HydrophobicContact CZ3-CG 4.06Å; W233-Y344 AromaticContact CZ3-CZ 3.45Å; W233-Y344 VanDerWaalsContact CZ3-CZ 3.45Å | ||
| 234 | R | 53 | Low | 60.3 | Low | 127 Ų | 127 | 54 Ų | 54 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | trans | -71.3 | 97.1 | 177 | -69.4 | -166.2 | -178.7 | 177.3 | 0.5 | 109.1 | W98 T102 | W98-R234 PolarHBondContact O-NH2 2.74Å; T102-R234 WeakPolarHBondContact OG1-CG 3.48Å | ||
| 235 | T | 44.6 | Very low | 58.1 | Low | 33 Ų | 33 | 55.1 Ų | 55.1 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | trans | -87.3 | 125.6 | 166.4 | 68.2 | 0 | 0 | 0 | 0 | 108.1 | W233 | W233-T235 HydrophobicContact CD2-CG2 3.56Å; W233-T235 HydrophobicContact CE3-CG2 3.96Å; W233-T235 HydrophobicContact CG-CG2 4.19Å; W233-T235 HydrophobicContact CH2-CG2 3.47Å; W233-T235 VanDerWaalsContact CH2-CG2 3.47Å; W233-T235 HydrophobicContact CZ2-CG2 3.1Å; W233-T235 HydrophobicContact CZ3-CG2 3.9Å; W233-T235 PolarHBondContact O-N 3.47Å | ||
| 236 | T | 39.4 | Very low | 55.7 | Low | 89 Ų | 89 | 56.4 Ų | 56.4 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | trans | -68.4 | 135.3 | 146.6 | 52.2 | 0 | 0 | 0 | 0 | 106.4 | N238 | T236-N238 PolarHBondContact O-N 2.9Š| ||
| 237 | D | 39.5 | Very low | 53.3 | Low | 116 Ų | 116 | 64.6 Ų | 64.6 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 6.7 | -168.6 | -60.4 | -43.2 | 0 | 0 | 0 | 117.7 | I240 | D237-I240 VanDerWaalsContact O-CD1 3.24Å; D237-I240 WeakPolarHBondContact O-CD1 3.46Å; D237-I240 WeakPolarHBondContact O-CG1 3.17Å |
| 238 | N | 37.5 | Very low | 51.3 | Low | 158 Ų | 158 | 68.8 Ų | 68.8 | 85% | 0.845 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.9 | -176.6 | -71.2 | -7.4 | 0 | 0 | 0 | 115.2 | T236 | T236-N238 PolarHBondContact O-N 2.9Š|
| 239 | S | 37.8 | Very low | 49.4 | Very low | 47 Ų | 47 | 72.8 Ų | 72.8 | 33% | 0.329 | 40% | 0.398 | S | S | . | . | trans | -107.7 | 41 | 176.2 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | W233 G241 | W233-S239 WeakPolarHBondContact CH2-OG 3.46Å; W233-S239 WeakPolarHBondContact CZ2-OG 3.3Å; S239-G241 PolarHBondContact O-N 3.29Å | ||
| 240 | I | 34.9 | Very low | 47.2 | Very low | 126 Ų | 126 | 77.3 Ų | 77.3 | 65% | 0.646 | 43% | 0.431 | S | S | * | . | trans | -85.9 | 104.5 | 179.9 | -60.3 | 171.4 | 0 | 0 | 0 | 109.2 | D237 | D237-I240 VanDerWaalsContact O-CD1 3.24Å; D237-I240 WeakPolarHBondContact O-CD1 3.46Å; D237-I240 WeakPolarHBondContact O-CG1 3.17Å | ||
| 241 | G | 40 | Very low | 44.9 | Very low | 51 Ų | 51 | 79.2 Ų | 79.2 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | trans | 79 | 132.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | S239 T243 | S239-G241 PolarHBondContact O-N 3.29Å; G241-T243 PolarHBondContact O-N 2.93Å | ||
| 242 | I | 37.5 | Very low | 42.7 | Very low | 58 Ų | 58 | 83 Ų | 83 | 30% | 0.297 | 47% | 0.465 | S | S | . | . | trans | -73.4 | 68.4 | 152.5 | -49.7 | 170.5 | 0 | 0 | 0 | 105.8 | I253 V343 L422 | I242-I253 HydrophobicContact CG2-CD1 4.38Å; I242-V343 HydrophobicContact CD1-CG1 3.92Å; I242-V343 HydrophobicContact CD1-CG2 3.95Å; I242-V343 HydrophobicContact CG1-CG1 3.94Å; I242-L422 HydrophobicContact CD1-CD1 3.86Å | ||
| 243 | T | 37.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 83.4 Ų | 83.4 | 69% | 0.687 | 47% | 0.466 | S | S | * | . | trans | -80.3 | -26.5 | 177.5 | 47 | 0 | 0 | 0 | 0 | 111.6 | G241 | G241-T243 PolarHBondContact O-N 2.93Š| ||
| 244 | D | 36.9 | Very low | 40.3 | Very low | 127 Ų | 127 | 85 Ų | 85 | 68% | 0.679 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -131.2 | 114.1 | 179 | -64.4 | -58 | 0 | 0 | 0 | 110.7 | ||
| 245 | L | 36.1 | Very low | 39.7 | Very low | 34 Ų | 34 | 81.5 Ų | 81.5 | 18% | 0.178 | 48% | 0.479 | C | S | . | . | trans | -58.3 | 128.7 | 161.7 | -175 | 72.5 | 0 | 0 | 0 | 107.4 | K247 L421 Q487 N492 V494 | L245-K247 PolarHBondContact O-N 2.78Å; L245-K247 VanDerWaalsContact O-N 3.13Å; L245-L421 HydrophobicContact CD1-CD2 3.18Å; L245-Q487 WeakPolarHBondContact CD2-O 3.12Å; L245-N492 HydrophobicContact CD2-CB 4.28Å; L245-V494 HydrophobicContact CD2-CB 4.43Å | ||
| 246 | P | 38.9 | Very low | 39.5 | Very low | 27 Ų | 27 | 83.2 Ų | 83.2 | 18% | 0.175 | 49% | 0.492 | C | S | . | . | trans | -56.8 | 123.9 | 178.8 | 11.1 | -21.5 | 0 | 0 | 0 | 111 | N248 A251 I253 | P246-N248 PolarHBondContact O-N 3.05Å; P246-N248 VanDerWaalsContact O-N 3.09Å; P246-A251 HydrophobicContact CB-CB 3.71Å; P246-A251 VanDerWaalsContact CB-O 3.28Å; P246-A251 WeakPolarHBondContact CB-O 3.35Å; P246-A251 WeakPolarHBondContact CG-O 3.28Å; P246-I253 HydrophobicContact CG-CG1 3.95Å | ||
| 247 | K | 40.4 | Very low | 39.3 | Very low | 172 Ų | 172 | 84 Ų | 84 | 75% | 0.748 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -63.8 | -12.4 | -176.6 | -64.4 | -179.9 | 177.7 | 177.3 | 0 | 114.5 | L245 | L245-K247 PolarHBondContact O-N 2.78Å; L245-K247 VanDerWaalsContact O-N 3.13Å |
| 248 | N | 42.4 | Very low | 39 | Very low | 89 Ų | 89 | 84.1 Ų | 84.1 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -111.5 | 125.6 | -176.6 | -167.1 | -20.2 | 0 | 0 | 0 | 109.3 | P246 S250 A251 | P246-N248 PolarHBondContact O-N 3.05Å; P246-N248 VanDerWaalsContact O-N 3.09Å; N248-S250 PolarHBondContact O-N 2.9Å; N248-S250 PolarHBondContact OD1-N 3.27Å; N248-A251 HydrophobicContact CB-CB 3.93Å; N248-A251 WeakPolarHBondContact O-CB 3.34Å; N248-A251 PolarHBondContact O-N 2.67Å |
| 249 | P | 41.9 | Very low | 39 | Very low | 90 Ų | 90 | 80.5 Ų | 80.5 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.5 | 178 | 21.6 | -33.6 | 0 | 0 | 0 | 113.8 | ||
| 250 | S | 41.6 | Very low | 38.7 | Very low | 104 Ų | 104 | 84.5 Ų | 84.5 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -18.5 | 174.3 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | N248 M252 | N248-S250 PolarHBondContact O-N 2.9Å; N248-S250 PolarHBondContact OD1-N 3.27Å; S250-M252 PolarHBondContact O-N 3.37Å |
| 251 | A | 40 | Very low | 38.6 | Very low | 41 Ų | 41 | 86.7 Ų | 86.7 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | trans | -82.1 | 98.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P246 N248 | P246-A251 HydrophobicContact CB-CB 3.71Å; P246-A251 VanDerWaalsContact CB-O 3.28Å; P246-A251 WeakPolarHBondContact CB-O 3.35Å; P246-A251 WeakPolarHBondContact CG-O 3.28Å; N248-A251 HydrophobicContact CB-CB 3.93Å; N248-A251 WeakPolarHBondContact O-CB 3.34Å; N248-A251 PolarHBondContact O-N 2.67Å | ||
| 252 | M | 39.9 | Very low | 38.5 | Very low | 81 Ų | 81 | 88.7 Ų | 88.7 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | trans | -61.5 | 148.5 | 164 | -69.2 | -175.6 | 177.4 | 0 | 0 | 109.1 | S250 A254 R501 | S250-M252 PolarHBondContact O-N 3.37Å; M252-A254 PolarHBondContact O-N 2.96Å; M252-R501 VanDerWaalsContact CE-NH1 3.26Å | ||
| 253 | I | 46 | Very low | 38.6 | Very low | 27 Ų | 27 | 88.7 Ų | 88.7 | 14% | 0.138 | 52% | 0.521 | C | S | . | . | trans | -55.3 | 116.3 | 157.6 | -65.1 | 172.8 | 0 | 0 | 0 | 104.8 | I242 P246 L255 L421 L422 | I242-I253 HydrophobicContact CG2-CD1 4.38Å; P246-I253 HydrophobicContact CG-CG1 3.95Å; I253-L255 PolarHBondContact O-N 3.13Å; I253-L421 HydrophobicContact CD1-CD2 4.19Å; I253-L422 HydrophobicContact CB-CD2 4.43Å; I253-L422 HydrophobicContact CD1-CD2 3.99Å; I253-L422 HydrophobicContact CG2-CD2 4.29Å | ||
| 254 | A | 40.4 | Very low | 38.5 | Very low | 77 Ų | 77 | 88.4 Ų | 88.4 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | trans | -61.1 | 106.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | M252 S256 | M252-A254 PolarHBondContact O-N 2.96Å; A254-S256 VanDerWaalsContact C-N 3.29Å; A254-S256 PolarHBondContact O-N 3.05Å | ||
| 255 | L | 40 | Very low | 39 | Very low | 53 Ų | 53 | 85.7 Ų | 85.7 | 28% | 0.277 | 50% | 0.501 | S | S | . | . | trans | -58.6 | 103.8 | 160.2 | -81.8 | 148.6 | 0 | 0 | 0 | 104.9 | I253 Q347 F351 K429 | I253-L255 PolarHBondContact O-N 3.13Å; L255-Q347 WeakPolarHBondContact CD2-O 3.18Å; L255-F351 HydrophobicContact CD1-CZ 4.44Å; L255-K429 HydrophobicContact CD1-CD 4.42Å | ||
| 256 | S | 40 | Very low | 40.2 | Very low | 69 Ų | 69 | 86.3 Ų | 86.3 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 142.2 | -176.1 | -67.2 | 0 | 0 | 0 | 0 | 109.4 | A254 | A254-S256 VanDerWaalsContact C-N 3.29Å; A254-S256 PolarHBondContact O-N 3.05Å |
| 257 | P | 36.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 88.6 Ų | 88.6 | 68% | 0.675 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 152.9 | 178.5 | 22.4 | -31.3 | 0 | 0 | 0 | 111.2 | L259 | P257-L259 PolarHBondContact O-N 3.39Š|
| 258 | P | 32.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 81.1 Ų | 81.1 | 78% | 0.779 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 121.7 | 179.5 | 23.4 | -31.5 | 0 | 0 | 0 | 110.4 | ||
| 259 | L | 37.6 | Very low | 46.1 | Very low | 82 Ų | 82 | 78.2 Ų | 78.2 | 43% | 0.429 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 164.6 | 177 | -73.5 | 112.9 | 0 | 0 | 0 | 112.6 | P257 E263 | P257-L259 PolarHBondContact O-N 3.39Å; L259-E263 WeakPolarHBondContact CB-OE2 3.42Å |
| 260 | N | 31.5 | Very low | 48.4 | Very low | 130 Ų | 130 | 75.9 Ų | 75.9 | 70% | 0.695 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 157 | -169.3 | -77.6 | -27.8 | 0 | 0 | 0 | 116.2 | A262 E263 | N260-A262 VanDerWaalsContact C-N 3.26Å; N260-A262 PolarHBondContact O-N 3.06Å; N260-E263 PolarHBondContact O-N 3.32Å |
| 261 | H | 33.4 | Very low | 50.7 | Low | 172 Ų | 172 | 71 Ų | 71 | 80% | 0.796 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -51.3 | -30 | -177.7 | -77.6 | -73.7 | 0 | 0 | 0 | 116.3 | E263 F264 | H261-E263 VanDerWaalsContact C-N 3.28Å; H261-E263 PolarHBondContact O-N 2.8Å; H261-F264 WeakPolarHBondContact O-CD2 3.35Å; H261-F264 PolarHBondContact O-N 3.29Å |
| 262 | A | 37.6 | Very low | 53.2 | Low | 93 Ų | 93 | 69.7 Ų | 69.7 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -69.7 | -22.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N260 | N260-A262 VanDerWaalsContact C-N 3.26Å; N260-A262 PolarHBondContact O-N 3.06Å |
| 263 | E | 39.1 | Very low | 55.6 | Low | 58 Ų | 58 | 65.8 Ų | 65.8 | 27% | 0.271 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -85.1 | -8 | -179.1 | -67.2 | 175.9 | -157.8 | 0 | 0 | 113.3 | L259 N260 H261 S265 T266 | L259-E263 WeakPolarHBondContact CB-OE2 3.42Å; N260-E263 PolarHBondContact O-N 3.32Å; H261-E263 VanDerWaalsContact C-N 3.28Å; H261-E263 PolarHBondContact O-N 2.8Å; E263-S265 PolarHBondContact O-N 2.93Å; E263-T266 PolarHBondContact O-N 3.18Å; E263-T266 VanDerWaalsContact O-N 3.12Å; E263-T266 PolarHBondContact O-OG1 3.48Å |
| 264 | F | 37.1 | Very low | 57.8 | Low | 107 Ų | 107 | 65.3 Ų | 65.3 | 47% | 0.469 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -63.2 | -25.3 | 178 | -79.6 | -96.9 | 0 | 0 | 0 | 112.7 | H261 T266 | H261-F264 WeakPolarHBondContact O-CD2 3.35Å; H261-F264 PolarHBondContact O-N 3.29Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.19Å |
| 265 | S | 46.4 | Very low | 60.4 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 48% | 0.483 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -72.2 | -15.8 | 177.3 | -170.2 | 0 | 0 | 0 | 0 | 113.8 | K142 E263 | K142-S265 PolarHBondContact NZ-O 3.02Å; E263-S265 PolarHBondContact O-N 2.93Å |
| 266 | T | 61.8 | Low | 63 | Low | 47 Ų | 47 | 59.1 Ų | 59.1 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -105.2 | -2.2 | -172.1 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | E263 F264 | E263-T266 PolarHBondContact O-N 3.18Å; E263-T266 VanDerWaalsContact O-N 3.12Å; E263-T266 PolarHBondContact O-OG1 3.48Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.19Å |
| 267 | K | 73.2 | Confident | 65.6 | Low | 76 Ų | 76 | 56.7 Ų | 56.7 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -65.4 | 142.2 | -180 | -66.7 | -176.8 | 179.7 | 177.4 | 0 | 112.9 | K142 | K142-K267 WeakPolarHBondContact CE-O 3.44Å; K142-K267 PolarHBondContact NZ-O 3.46Å |
| 268 | P | 84.4 | Confident | 68.4 | Low | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 139.8 | 172.7 | 22.7 | -29.2 | 0 | 0 | 0 | 111 | F341 Y344 W349 | P268-F341 HydrophobicContact CB-CE2 3.84Å; P268-F341 HydrophobicContact CB-CZ 3.94Å; P268-F341 HydrophobicContact CG-CE2 4.32Å; P268-Y344 HydrophobicContact CG-CD1 4.33Å; P268-Y344 HydrophobicContact CG-CE1 4.21Å; P268-W349 HydrophobicContact CB-CZ3 4.1Å; P268-W349 HydrophobicContact CG-CE3 4.33Å; P268-W349 HydrophobicContact CG-CZ3 3.89Å; P268-W349 WeakPolarHBondContact O-CH2 3.36Å; P268-W349 VanDerWaalsContact O-CZ3 3.28Å; P268-W349 WeakPolarHBondContact O-CZ3 3.49Å |
| 269 | T | 87.3 | Confident | 71.4 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 17% | 0.172 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 161.8 | 178.9 | 65 | 0 | 0 | 0 | 0 | 112 | K142 C271 Q272 M273 | K142-T269 HydrophobicContact CD-CG2 4.12Å; K142-T269 HydrophobicContact CG-CG2 3.51Å; T269-C271 PolarHBondContact O-N 3.38Å; T269-Q272 WeakPolarHBondContact O-CB 3.33Å; T269-Q272 PolarHBondContact O-N 3.29Å; T269-Q272 VanDerWaalsContact O-N 3.16Å; T269-Q272 WeakPolarHBondContact OG1-CB 3.5Å; T269-Q272 PolarHBondContact OG1-N 2.92Å; T269-M273 WeakPolarHBondContact O-CG 3.25Å; T269-M273 PolarHBondContact O-N 2.63Å |
| 270 | V | 90.6 | Very high | 74 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.8 | -41.4 | 172.7 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | L147 M273 F274 W349 V357 | L147-V270 HydrophobicContact CB-CG1 4.13Å; L147-V270 HydrophobicContact CD1-CG1 4.38Å; L147-V270 HydrophobicContact CD2-CG1 3.71Å; L147-V270 HydrophobicContact CG-CG1 4.27Å; V270-M273 PolarHBondContact O-N 2.76Å; V270-F274 WeakPolarHBondContact O-CB 3.32Å; V270-F274 PolarHBondContact O-N 3.12Å; V270-W349 HydrophobicContact CG2-CH2 4.39Å; V270-W349 HydrophobicContact CG2-CZ2 3.84Å; V270-V357 HydrophobicContact CG1-CB 4.24Å; V270-V357 HydrophobicContact CG1-CG1 4.34Å; V270-V357 HydrophobicContact CG1-CG2 3.76Å |
| 271 | C | 91.1 | Very high | 76.9 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.1 | -67.8 | 0 | 0 | 0 | 0 | 112.4 | L145 L150 T269 F274 L275 | L145-C271 HydrophobicContact CB-CB 4.37Å; L145-C271 PolarHBondContact O-SG 3.29Å; L150-C271 HydrophobicContact CD2-CB 3.54Å; T269-C271 PolarHBondContact O-N 3.38Å; C271-F274 WeakPolarHBondContact O-CB 3.46Å; C271-F274 PolarHBondContact O-N 2.7Å; C271-L275 WeakPolarHBondContact O-CG 3.19Å; C271-L275 PolarHBondContact O-N 3.38Å |
| 272 | Q | 90.6 | Very high | 79.7 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.2 | -178.1 | 179.5 | -5.1 | 0 | 0 | 111.3 | L230 T269 F274 L275 V276 | L230-Q272 HydrophobicContact CD2-CG 4.31Å; L230-Q272 PolarHBondContact O-NE2 3Å; T269-Q272 WeakPolarHBondContact O-CB 3.33Å; T269-Q272 PolarHBondContact O-N 3.29Å; T269-Q272 VanDerWaalsContact O-N 3.16Å; T269-Q272 WeakPolarHBondContact OG1-CB 3.5Å; T269-Q272 PolarHBondContact OG1-N 2.92Å; Q272-F274 VanDerWaalsContact C-N 3.28Å; Q272-F274 PolarHBondContact O-N 3Å; Q272-L275 PolarHBondContact O-N 2.7Å; Q272-V276 HydrophobicContact CG-CG2 4.48Å; Q272-V276 WeakPolarHBondContact O-CG2 3.49Å; Q272-V276 PolarHBondContact O-N 3.43Å |
| 273 | M | 92 | Very high | 82.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 176.6 | -70.2 | -54.3 | -60.8 | 0 | 0 | 112.1 | T269 V270 V276 R277 F341 I342 W349 V357 V358 T361 | T269-M273 WeakPolarHBondContact O-CG 3.25Å; T269-M273 PolarHBondContact O-N 2.63Å; V270-M273 PolarHBondContact O-N 2.76Å; M273-V276 PolarHBondContact O-N 3.39Å; M273-R277 WeakPolarHBondContact O-CB 3.48Å; M273-R277 PolarHBondContact O-N 3.28Å; M273-F341 HydrophobicContact CE-CE1 4.03Å; M273-F341 HydrophobicContact SD-CE1 3.37Å; M273-F341 WeakPolarHBondContact SD-CE1 3.34Å; M273-F341 HydrophobicContact SD-CZ 3.43Å; M273-F341 WeakPolarHBondContact SD-CZ 3.47Å; M273-I342 HydrophobicContact CE-CD1 3.7Å; M273-W349 HydrophobicContact CG-CH2 3.72Å; M273-W349 HydrophobicContact CG-CZ3 3.77Å; M273-W349 HydrophobicContact SD-CZ3 4.46Å; M273-V357 HydrophobicContact CB-CG1 3.68Å; M273-V358 HydrophobicContact CE-CB 4.26Å; M273-V358 HydrophobicContact CE-CG1 4.21Å; M273-V358 HydrophobicContact CE-CG2 4.11Å; M273-V358 HydrophobicContact CG-CG2 4.15Å; M273-T361 HydrophobicContact CE-CG2 3.84Å; M273-T361 PolarHBondContact O-OG1 3.05Å |
| 274 | F | 92.4 | Very high | 84.7 | Confident | 16 Ų | 16 | 23.3 Ų | 23.3 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 174.9 | 174.5 | -107.2 | 0 | 0 | 0 | 112.1 | L147 L150 E151 R156 V270 C271 Q272 R277 C278 | L147-F274 HydrophobicContact CD1-CB 3.61Å; L147-F274 HydrophobicContact CD1-CD1 4.04Å; L147-F274 HydrophobicContact CD1-CD2 4Å; L147-F274 HydrophobicContact CD1-CG 3.64Å; L150-F274 HydrophobicContact CD2-CD1 4.34Å; E151-F274 HydrophobicContact CB-CZ 4.47Å; E151-F274 HydrophobicContact CG-CE1 4.04Å; E151-F274 HydrophobicContact CG-CE2 3.92Å; E151-F274 HydrophobicContact CG-CZ 3.64Å; R156-F274 VanDerWaalsContact CD-CE1 3.49Å; R156-F274 HydrophobicContact CG-CE1 4.12Å; V270-F274 WeakPolarHBondContact O-CB 3.32Å; V270-F274 PolarHBondContact O-N 3.12Å; C271-F274 WeakPolarHBondContact O-CB 3.46Å; C271-F274 PolarHBondContact O-N 2.7Å; Q272-F274 VanDerWaalsContact C-N 3.28Å; Q272-F274 PolarHBondContact O-N 3Å; F274-R277 WeakPolarHBondContact O-CB 3.17Å; F274-R277 PolarHBondContact O-N 3.4Å; F274-C278 PolarHBondContact O-N 3.18Å; F274-C278 PolarHBondContact O-SG 3.4Å |
| 275 | L | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 176.8 | -65.2 | 171.7 | 0 | 0 | 0 | 112.3 | A136 Y155 F159 L230 C271 Q272 R277 C278 F279 | A136-L275 HydrophobicContact CB-CD1 3.47Å; A136-L275 VanDerWaalsContact CB-CD1 3.47Å; Y155-L275 HydrophobicContact CE1-CD1 3.85Å; Y155-L275 HydrophobicContact CE1-CD2 4.16Å; F159-L275 HydrophobicContact CD1-CD2 3.86Å; F159-L275 HydrophobicContact CD2-CD2 4.27Å; F159-L275 HydrophobicContact CE1-CB 4.23Å; F159-L275 HydrophobicContact CE1-CD2 4.02Å; F159-L275 WeakPolarHBondContact CE1-O 3.42Å; F159-L275 HydrophobicContact CE2-CD2 4.47Å; F159-L275 HydrophobicContact CG-CD2 3.98Å; F159-L275 HydrophobicContact CZ-CB 4.05Å; F159-L275 HydrophobicContact CZ-CD2 4.35Å; L230-L275 HydrophobicContact CD1-CB 4.31Å; L230-L275 HydrophobicContact CD2-CD1 4.39Å; C271-L275 WeakPolarHBondContact O-CG 3.19Å; C271-L275 PolarHBondContact O-N 3.38Å; Q272-L275 PolarHBondContact O-N 2.7Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 2.82Å; L275-C278 PolarHBondContact O-N 3.16Å; L275-C278 VanDerWaalsContact O-N 3.17Å; L275-F279 PolarHBondContact O-N 3.42Å |
| 276 | V | 94.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | L230 L231 Q272 M273 C278 F279 L280 F338 F341 T361 | L230-V276 HydrophobicContact CB-CG2 3.93Å; L231-V276 HydrophobicContact CD2-CG1 3.95Å; L231-V276 HydrophobicContact CD2-CG2 4.15Å; Q272-V276 HydrophobicContact CG-CG2 4.48Å; Q272-V276 WeakPolarHBondContact O-CG2 3.49Å; Q272-V276 PolarHBondContact O-N 3.43Å; M273-V276 PolarHBondContact O-N 3.39Å; V276-C278 PolarHBondContact O-N 2.86Å; V276-F279 WeakPolarHBondContact O-CB 3.43Å; V276-F279 PolarHBondContact O-N 2.91Å; V276-L280 HydrophobicContact CG1-CD1 4.39Å; V276-L280 WeakPolarHBondContact O-CG 3.29Å; V276-L280 PolarHBondContact O-N 3.22Å; V276-F338 HydrophobicContact CG1-CD2 3.94Å; V276-F338 HydrophobicContact CG1-CE2 3.89Å; V276-F341 HydrophobicContact CB-CE1 4.48Å; V276-F341 HydrophobicContact CG1-CE1 4.2Å; V276-F341 HydrophobicContact CG2-CE1 4.04Å; V276-F341 HydrophobicContact CG2-CZ 4.34Å; V276-T361 HydrophobicContact CG1-CG2 4.08Å |
| 277 | R | 94.3 | Very high | 90 | Very high | 17 Ų | 17 | 13.6 Ų | 13.6 | 6% | 0.064 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.9 | -171.4 | 175 | 66 | 172.3 | -1.9 | 111.4 | M273 F274 L275 L280 K281 E360 T361 | M273-R277 WeakPolarHBondContact O-CB 3.48Å; M273-R277 PolarHBondContact O-N 3.28Å; F274-R277 WeakPolarHBondContact O-CB 3.17Å; F274-R277 PolarHBondContact O-N 3.4Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 2.82Å; R277-L280 PolarHBondContact O-N 2.82Å; R277-K281 WeakPolarHBondContact O-CG 3.44Å; R277-K281 PolarHBondContact O-N 2.84Å; R277-K281 VanDerWaalsContact O-N 3.14Å; R277-E360 VanDerWaalsContact NH1-CB 3.33Å; R277-T361 HydrophobicContact CB-CG2 4.08Å |
| 278 | C | 93.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.02 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 177.2 | -66 | 0 | 0 | 0 | 0 | 111.3 | R156 F159 F274 L275 V276 L280 K281 Y282 | R156-C278 PolarHBondContact NH2-SG 2.87Å; F159-C278 HydrophobicContact CD1-CB 4.46Å; F159-C278 HydrophobicContact CE1-CB 3.99Å; F274-C278 PolarHBondContact O-N 3.18Å; F274-C278 PolarHBondContact O-SG 3.4Å; L275-C278 PolarHBondContact O-N 3.16Å; L275-C278 VanDerWaalsContact O-N 3.17Å; V276-C278 PolarHBondContact O-N 2.86Å; C278-L280 PolarHBondContact O-N 2.93Å; C278-K281 WeakPolarHBondContact O-CB 3.35Å; C278-K281 PolarHBondContact O-N 3.1Å; C278-Y282 WeakPolarHBondContact O-CD2 3.28Å; C278-Y282 PolarHBondContact O-N 3.14Å |
| 279 | F | 95.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -53.1 | -51.9 | 173.1 | 166.4 | -105.4 | 0 | 0 | 0 | 112.2 | F159 L163 L223 V226 L231 L275 V276 K281 Y282 F283 I334 | F159-F279 HydrophobicContact CZ-CB 4.26Å; L163-F279 HydrophobicContact CD1-CB 4.26Å; L163-F279 HydrophobicContact CD2-CD2 3.82Å; L223-F279 HydrophobicContact CD2-CE2 3.76Å; L223-F279 HydrophobicContact CD2-CZ 4.04Å; V226-F279 HydrophobicContact CB-CE2 4.49Å; V226-F279 HydrophobicContact CG1-CD1 3.87Å; V226-F279 HydrophobicContact CG1-CD2 3.91Å; V226-F279 HydrophobicContact CG1-CE1 3.92Å; V226-F279 HydrophobicContact CG1-CE2 3.97Å; V226-F279 HydrophobicContact CG1-CG 3.86Å; V226-F279 HydrophobicContact CG1-CZ 3.97Å; V226-F279 HydrophobicContact CG2-CD2 4.12Å; V226-F279 HydrophobicContact CG2-CE2 4.36Å; L231-F279 HydrophobicContact CD1-CE1 4.5Å; L275-F279 PolarHBondContact O-N 3.42Å; V276-F279 WeakPolarHBondContact O-CB 3.43Å; V276-F279 PolarHBondContact O-N 2.91Å; F279-K281 VanDerWaalsContact C-N 3.27Å; F279-K281 PolarHBondContact O-N 3.19Å; F279-Y282 PolarHBondContact O-N 2.99Å; F279-F283 HydrophobicContact CE1-CB 4.4Å; F279-F283 HydrophobicContact CE1-CG 4.43Å; F279-F283 HydrophobicContact CE2-CB 4.17Å; F279-F283 HydrophobicContact CE2-CD2 4.28Å; F279-F283 HydrophobicContact CE2-CG 4.38Å; F279-F283 HydrophobicContact CZ-CB 4.07Å; F279-F283 HydrophobicContact CZ-CD1 4.45Å; F279-F283 HydrophobicContact CZ-CD2 4.01Å; F279-F283 AromaticContact CZ-CG 3.95Å; F279-F283 HydrophobicContact CZ-CG 3.95Å; F279-F283 VanDerWaalsContact O-CB 3.26Å; F279-F283 WeakPolarHBondContact O-CB 3.14Å; F279-F283 PolarHBondContact O-N 3.29Å; F279-I334 HydrophobicContact CE1-CG2 3.84Å; F279-I334 HydrophobicContact CZ-CG2 3.87Å |
| 280 | L | 93.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.6 | -40.3 | 179.5 | -75.7 | 172.5 | 0 | 0 | 0 | 112.7 | V276 R277 C278 F283 Y284 M335 F338 T361 | V276-L280 HydrophobicContact CG1-CD1 4.39Å; V276-L280 WeakPolarHBondContact O-CG 3.29Å; V276-L280 PolarHBondContact O-N 3.22Å; R277-L280 PolarHBondContact O-N 2.82Å; C278-L280 PolarHBondContact O-N 2.93Å; L280-F283 PolarHBondContact O-N 3.39Å; L280-Y284 WeakPolarHBondContact O-CB 3.5Å; L280-Y284 PolarHBondContact O-N 3.33Å; L280-M335 HydrophobicContact CD2-SD 4.39Å; L280-F338 HydrophobicContact CD1-CD2 4.04Å; L280-F338 HydrophobicContact CD1-CE1 4.23Å; L280-F338 HydrophobicContact CD1-CE2 3.53Å; L280-F338 HydrophobicContact CD1-CZ 3.63Å; L280-F338 HydrophobicContact CD2-CD2 4.43Å; L280-F338 HydrophobicContact CD2-CG 4.38Å; L280-F338 HydrophobicContact CG-CE2 4.49Å; L280-T361 HydrophobicContact CD1-CG2 4.04Å |
| 281 | K | 91.4 | Very high | 88.5 | Confident | 27 Ų | 27 | 13.6 Ų | 13.6 | 12% | 0.117 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.9 | -50 | 177.7 | -67.2 | -175.7 | 178.5 | -176.2 | 0 | 111.5 | R277 C278 F279 F285 Y371 F665 I668 M669 | R277-K281 WeakPolarHBondContact O-CG 3.44Å; R277-K281 PolarHBondContact O-N 2.84Å; R277-K281 VanDerWaalsContact O-N 3.14Å; C278-K281 WeakPolarHBondContact O-CB 3.35Å; C278-K281 PolarHBondContact O-N 3.1Å; F279-K281 VanDerWaalsContact C-N 3.27Å; F279-K281 PolarHBondContact O-N 3.19Å; K281-F285 VanDerWaalsContact O-CB 3.32Å; K281-F285 WeakPolarHBondContact O-CB 3.45Å; K281-F285 PolarHBondContact O-N 3.04Å; K281-Y371 HydrophobicContact CB-CD1 4.35Å; K281-Y371 HydrophobicContact CB-CE1 3.82Å; K281-Y371 HydrophobicContact CD-CE1 4.16Å; K281-Y371 HydrophobicContact CG-CE1 3.61Å; K281-Y371 WeakPolarHBondContact CG-OH 3.35Å; K281-F665 HydrophobicContact CB-CE2 4.2Å; K281-F665 WeakPolarHBondContact O-CE2 3.4Å; K281-I668 PolarHBondContact NZ-O 3.18Å; K281-M669 HydrophobicContact CB-SD 3.79Å; K281-M669 HydrophobicContact CD-CE 4.22Å; K281-M669 HydrophobicContact CD-SD 3.34Å; K281-M669 WeakPolarHBondContact CD-SD 3.42Å; K281-M669 HydrophobicContact CG-SD 4.2Å |
| 282 | Y | 91.9 | Very high | 87.3 | Confident | 23 Ų | 23 | 18.2 Ų | 18.2 | 9% | 0.09 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.7 | -39.6 | 178.1 | -83.4 | -93 | 0 | 0 | 0 | 112.1 | D160 L163 T169 C278 F279 F285 A286 F665 M669 | D160-Y282 WeakPolarHBondContact OD1-CE2 3.43Å; D160-Y282 PolarHBondContact OD1-OH 3.43Å; L163-Y282 HydrophobicContact CB-CD1 3.93Å; L163-Y282 HydrophobicContact CB-CD2 4.08Å; L163-Y282 HydrophobicContact CB-CE1 4.44Å; L163-Y282 HydrophobicContact CB-CG 3.72Å; L163-Y282 HydrophobicContact CD1-CD2 3.9Å; L163-Y282 HydrophobicContact CD1-CG 4.19Å; T169-Y282 HydrophobicContact CG2-CD1 4.32Å; T169-Y282 WeakPolarHBondContact OG1-CD1 3.48Å; C278-Y282 WeakPolarHBondContact O-CD2 3.28Å; C278-Y282 PolarHBondContact O-N 3.14Å; F279-Y282 PolarHBondContact O-N 2.99Å; Y282-F285 PolarHBondContact O-N 3.26Å; Y282-A286 WeakPolarHBondContact O-CB 3.46Å; Y282-A286 PolarHBondContact O-N 3.05Å; Y282-F665 HydrophobicContact CD1-CE1 4.04Å; Y282-F665 AromaticContact CD1-CZ 3.98Å; Y282-F665 HydrophobicContact CD1-CZ 3.98Å; Y282-F665 HydrophobicContact CD2-CZ 4Å; Y282-F665 AromaticContact CE1-CE1 3.77Å; Y282-F665 HydrophobicContact CE1-CE1 3.77Å; Y282-F665 HydrophobicContact CE1-CZ 4.1Å; Y282-F665 HydrophobicContact CE2-CE1 4.31Å; Y282-F665 HydrophobicContact CE2-CZ 4.09Å; Y282-F665 HydrophobicContact CG-CE1 4.44Å; Y282-F665 AromaticContact CG-CZ 3.94Å; Y282-F665 HydrophobicContact CG-CZ 3.94Å; Y282-F665 AromaticContact CZ-CE1 3.92Å; Y282-M669 HydrophobicContact CD2-CE 4.27Å; Y282-M669 HydrophobicContact CE2-CE 3.58Å; Y282-M669 HydrophobicContact CE2-SD 4.21Å |
| 283 | F | 91.7 | Very high | 85.9 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.3 | -51.4 | 178.5 | -172.6 | -119.6 | 0 | 0 | 0 | 110.9 | L223 F279 L280 F285 A286 L287 L315 I334 M335 | L223-F283 HydrophobicContact CD2-CD2 4.46Å; L223-F283 HydrophobicContact CD2-CE2 4.4Å; F279-F283 HydrophobicContact CE1-CB 4.4Å; F279-F283 HydrophobicContact CE1-CG 4.43Å; F279-F283 HydrophobicContact CE2-CB 4.17Å; F279-F283 HydrophobicContact CE2-CD2 4.28Å; F279-F283 HydrophobicContact CE2-CG 4.38Å; F279-F283 HydrophobicContact CZ-CB 4.07Å; F279-F283 HydrophobicContact CZ-CD1 4.45Å; F279-F283 HydrophobicContact CZ-CD2 4.01Å; F279-F283 AromaticContact CZ-CG 3.95Å; F279-F283 HydrophobicContact CZ-CG 3.95Å; F279-F283 VanDerWaalsContact O-CB 3.26Å; F279-F283 WeakPolarHBondContact O-CB 3.14Å; F279-F283 PolarHBondContact O-N 3.29Å; L280-F283 PolarHBondContact O-N 3.39Å; F283-F285 PolarHBondContact O-N 2.97Å; F283-A286 WeakPolarHBondContact O-CB 3.26Å; F283-A286 PolarHBondContact O-N 3.35Å; F283-L287 HydrophobicContact CD1-CD1 3.72Å; F283-L287 HydrophobicContact CD2-CD1 4.28Å; F283-L287 HydrophobicContact CE1-CD1 3.65Å; F283-L287 HydrophobicContact CE2-CD1 4.19Å; F283-L287 HydrophobicContact CG-CD1 4.05Å; F283-L287 HydrophobicContact CZ-CD1 3.88Å; F283-L287 VanDerWaalsContact O-CD1 3.28Å; F283-L287 WeakPolarHBondContact O-CD1 3.46Å; F283-L287 WeakPolarHBondContact O-CG 3.3Å; F283-L287 PolarHBondContact O-N 3.45Å; F283-L287 VanDerWaalsContact O-N 3.08Å; F283-L315 HydrophobicContact CE2-CD1 4.49Å; F283-I334 HydrophobicContact CE1-CG2 4.2Å; F283-I334 HydrophobicContact CE2-CD1 4.04Å; F283-I334 HydrophobicContact CZ-CB 4.47Å; F283-I334 HydrophobicContact CZ-CD1 3.94Å; F283-I334 HydrophobicContact CZ-CG2 4.25Å; F283-M335 HydrophobicContact CE1-CG 4.47Å; F283-M335 HydrophobicContact CE1-SD 4.35Å |
| 284 | Y | 89.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 176 | -69.7 | -13.7 | 0 | 0 | 0 | 113.3 | L280 A286 L287 F288 M335 S365 P368 Y371 F408 | L280-Y284 WeakPolarHBondContact O-CB 3.5Å; L280-Y284 PolarHBondContact O-N 3.33Å; Y284-A286 VanDerWaalsContact C-N 3.29Å; Y284-A286 PolarHBondContact O-N 2.94Å; Y284-L287 HydrophobicContact CD1-CD1 4.26Å; Y284-L287 PolarHBondContact O-N 3.48Å; Y284-F288 HydrophobicContact CD1-CE2 4.21Å; Y284-F288 HydrophobicContact CG-CE2 4.47Å; Y284-F288 WeakPolarHBondContact O-CD2 3.35Å; Y284-F288 PolarHBondContact O-N 3.47Å; Y284-M335 HydrophobicContact CE1-CE 4.26Å; Y284-M335 HydrophobicContact CE1-SD 4.03Å; Y284-M335 WeakPolarHBondContact OH-CE 3.45Å; Y284-S365 VanDerWaalsContact CE2-O 3.28Å; Y284-S365 WeakPolarHBondContact CE2-O 3.45Å; Y284-S365 PolarHBondContact OH-O 2.65Å; Y284-P368 HydrophobicContact CD2-CB 3.81Å; Y284-P368 HydrophobicContact CE2-CB 3.96Å; Y284-P368 HydrophobicContact CG-CB 4.09Å; Y284-Y371 AromaticContact CD2-CD2 3.78Å; Y284-Y371 HydrophobicContact CD2-CD2 3.78Å; Y284-Y371 AromaticContact CD2-CE2 3.85Å; Y284-Y371 HydrophobicContact CD2-CE2 3.85Å; Y284-Y371 HydrophobicContact CG-CD2 4.24Å; Y284-F408 HydrophobicContact CE1-CE2 4.4Å; Y284-F408 HydrophobicContact CE1-CZ 4.2Å |
| 285 | F | 86.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 174 | -177.6 | -104.5 | 0 | 0 | 0 | 111.8 | T169 K281 Y282 F283 L287 N289 Y371 L662 F665 | T169-F285 HydrophobicContact CG2-CD1 3.58Å; T169-F285 HydrophobicContact CG2-CE1 4.2Å; K281-F285 VanDerWaalsContact O-CB 3.32Å; K281-F285 WeakPolarHBondContact O-CB 3.45Å; K281-F285 PolarHBondContact O-N 3.04Å; Y282-F285 PolarHBondContact O-N 3.26Å; F283-F285 PolarHBondContact O-N 2.97Å; F285-L287 VanDerWaalsContact C-N 3.33Å; F285-L287 PolarHBondContact O-N 3.44Å; F285-N289 HydrophobicContact CD2-CB 4.18Å; F285-N289 HydrophobicContact CE2-CB 4.08Å; F285-N289 WeakPolarHBondContact CE2-ND2 3.38Å; F285-N289 HydrophobicContact CZ-CB 4.44Å; F285-N289 WeakPolarHBondContact CZ-ND2 3.33Å; F285-N289 WeakPolarHBondContact O-CB 3.34Å; F285-N289 PolarHBondContact O-N 3.33Å; F285-Y371 VanDerWaalsContact CD2-O 3.29Å; F285-Y371 WeakPolarHBondContact CD2-O 3.43Å; F285-L662 HydrophobicContact CE1-CD1 4.43Å; F285-L662 HydrophobicContact CZ-CD1 4.11Å; F285-F665 HydrophobicContact CB-CD2 3.73Å; F285-F665 HydrophobicContact CB-CE2 3.52Å; F285-F665 HydrophobicContact CB-CG 4.38Å; F285-F665 HydrophobicContact CB-CZ 4.01Å; F285-F665 HydrophobicContact CD1-CD1 4.14Å; F285-F665 HydrophobicContact CD1-CD2 4.4Å; F285-F665 HydrophobicContact CD1-CE1 4.26Å; F285-F665 HydrophobicContact CD1-CG 4.21Å; F285-F665 HydrophobicContact CD1-CZ 4.46Å; F285-F665 HydrophobicContact CD2-CB 3.7Å; F285-F665 HydrophobicContact CD2-CD1 4.29Å; F285-F665 AromaticContact CD2-CD2 3.51Å; F285-F665 HydrophobicContact CD2-CD2 3.51Å; F285-F665 HydrophobicContact CD2-CE2 4.21Å; F285-F665 AromaticContact CD2-CG 3.56Å; F285-F665 HydrophobicContact CD2-CG 3.56Å; F285-F665 HydrophobicContact CE1-CD1 4.25Å; F285-F665 HydrophobicContact CE1-CG 4.41Å; F285-F665 HydrophobicContact CE2-CB 3.49Å; F285-F665 VanDerWaalsContact CE2-CB 3.49Å; F285-F665 HydrophobicContact CE2-CD1 4.4Å; F285-F665 HydrophobicContact CE2-CD2 4.21Å; F285-F665 AromaticContact CE2-CG 3.79Å; F285-F665 HydrophobicContact CE2-CG 3.79Å; F285-F665 HydrophobicContact CG-CB 4.4Å; F285-F665 HydrophobicContact CG-CD1 4.16Å; F285-F665 AromaticContact CG-CD2 3.63Å; F285-F665 HydrophobicContact CG-CD2 3.63Å; F285-F665 HydrophobicContact CG-CE1 4.35Å; F285-F665 AromaticContact CG-CE2 3.86Å; F285-F665 HydrophobicContact CG-CE2 3.86Å; F285-F665 AromaticContact CG-CG 3.79Å; F285-F665 HydrophobicContact CG-CG 3.79Å; F285-F665 HydrophobicContact CG-CZ 4.22Å; F285-F665 HydrophobicContact CZ-CB 4.03Å; F285-F665 HydrophobicContact CZ-CD1 4.36Å; F285-F665 HydrophobicContact CZ-CG 4.2Å |
| 286 | A | 86.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L167 T169 Y282 F283 Y284 R312 | L167-A286 HydrophobicContact CB-CB 4Å; L167-A286 WeakPolarHBondContact O-CB 2.97Å; T169-A286 HydrophobicContact CG2-CB 3.79Å; Y282-A286 WeakPolarHBondContact O-CB 3.46Å; Y282-A286 PolarHBondContact O-N 3.05Å; F283-A286 WeakPolarHBondContact O-CB 3.26Å; F283-A286 PolarHBondContact O-N 3.35Å; Y284-A286 VanDerWaalsContact C-N 3.29Å; Y284-A286 PolarHBondContact O-N 2.94Å; A286-R312 WeakPolarHBondContact O-CD 3.47Å; A286-R312 VanDerWaalsContact O-CZ 3.22Å; A286-R312 PolarHBondContact O-NE 3.16Å; A286-R312 VanDerWaalsContact O-NE 3.12Å; A286-R312 PolarHBondContact O-NH1 3.33Å |
| 287 | L | 84.9 | Confident | 81.6 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -78 | -44 | -174.4 | -64.7 | 158.8 | 0 | 0 | 0 | 113.3 | F283 Y284 F285 R312 L315 | F283-L287 HydrophobicContact CD1-CD1 3.72Å; F283-L287 HydrophobicContact CD2-CD1 4.28Å; F283-L287 HydrophobicContact CE1-CD1 3.65Å; F283-L287 HydrophobicContact CE2-CD1 4.19Å; F283-L287 HydrophobicContact CG-CD1 4.05Å; F283-L287 HydrophobicContact CZ-CD1 3.88Å; F283-L287 VanDerWaalsContact O-CD1 3.28Å; F283-L287 WeakPolarHBondContact O-CD1 3.46Å; F283-L287 WeakPolarHBondContact O-CG 3.3Å; F283-L287 PolarHBondContact O-N 3.45Å; F283-L287 VanDerWaalsContact O-N 3.08Å; Y284-L287 HydrophobicContact CD1-CD1 4.26Å; Y284-L287 PolarHBondContact O-N 3.48Å; F285-L287 VanDerWaalsContact C-N 3.33Å; F285-L287 PolarHBondContact O-N 3.44Å; L287-R312 WeakPolarHBondContact CD2-O 3.11Å; L287-L315 HydrophobicContact CD2-CB 3.77Å |
| 288 | F | 83.5 | Confident | 81 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -100.9 | -1 | -169.6 | -63 | -69.8 | 0 | 0 | 0 | 114.1 | Y284 Y316 P368 A372 G373 E404 W405 F408 | Y284-F288 HydrophobicContact CD1-CE2 4.21Å; Y284-F288 HydrophobicContact CG-CE2 4.47Å; Y284-F288 WeakPolarHBondContact O-CD2 3.35Å; Y284-F288 PolarHBondContact O-N 3.47Å; F288-Y316 HydrophobicContact CE1-CD2 4Å; F288-Y316 AromaticContact CE1-CE2 3.6Å; F288-Y316 HydrophobicContact CE1-CE2 3.6Å; F288-Y316 HydrophobicContact CZ-CD2 4.1Å; F288-Y316 AromaticContact CZ-CE2 3.83Å; F288-Y316 HydrophobicContact CZ-CE2 3.83Å; F288-P368 HydrophobicContact CD2-CB 3.91Å; F288-P368 HydrophobicContact CE2-CB 3.52Å; F288-P368 HydrophobicContact CE2-CG 4.43Å; F288-P368 HydrophobicContact CZ-CB 4.21Å; F288-A372 HydrophobicContact CB-CB 3.82Å; F288-G373 PolarHBondContact O-N 3.16Å; F288-E404 HydrophobicContact CE1-CG 4.49Å; F288-W405 HydrophobicContact CB-CH2 4.04Å; F288-W405 AromaticContact CD1-CH2 3.52Å; F288-W405 HydrophobicContact CD1-CH2 3.52Å; F288-W405 AromaticContact CD1-CZ3 3.65Å; F288-W405 HydrophobicContact CD1-CZ3 3.65Å; F288-W405 HydrophobicContact CD2-CH2 4.16Å; F288-W405 HydrophobicContact CD2-CZ3 4.21Å; F288-W405 HydrophobicContact CE1-CE3 4.42Å; F288-W405 AromaticContact CE1-CH2 3.96Å; F288-W405 HydrophobicContact CE1-CH2 3.96Å; F288-W405 AromaticContact CE1-CZ3 3.56Å; F288-W405 HydrophobicContact CE1-CZ3 3.56Å; F288-W405 HydrophobicContact CE2-CZ3 4.15Å; F288-W405 AromaticContact CG-CH2 3.64Å; F288-W405 HydrophobicContact CG-CH2 3.64Å; F288-W405 AromaticContact CG-CZ3 3.98Å; F288-W405 HydrophobicContact CG-CZ3 3.98Å; F288-W405 HydrophobicContact CZ-CH2 4.46Å; F288-W405 AromaticContact CZ-CZ3 3.82Å; F288-W405 HydrophobicContact CZ-CZ3 3.82Å; F288-F408 HydrophobicContact CE2-CD2 4.42Å; F288-F408 HydrophobicContact CE2-CE2 4.29Å; F288-F408 AromaticContact CZ-CD2 3.65Å; F288-F408 HydrophobicContact CZ-CD2 3.65Å; F288-F408 AromaticContact CZ-CE2 3.95Å; F288-F408 HydrophobicContact CZ-CE2 3.95Å; F288-F408 HydrophobicContact CZ-CG 4.33Å |
| 289 | N | 78 | Confident | 80.6 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | trans | -105.2 | 100.2 | 175.3 | -166.3 | 20.8 | 0 | 0 | 0 | 111.3 | F285 R312 | F285-N289 HydrophobicContact CD2-CB 4.18Å; F285-N289 HydrophobicContact CE2-CB 4.08Å; F285-N289 WeakPolarHBondContact CE2-ND2 3.38Å; F285-N289 HydrophobicContact CZ-CB 4.44Å; F285-N289 WeakPolarHBondContact CZ-ND2 3.33Å; F285-N289 WeakPolarHBondContact O-CB 3.34Å; F285-N289 PolarHBondContact O-N 3.33Å; N289-R312 PolarHBondContact O-NH1 3.39Å | ||
| 290 | N | 72.3 | Confident | 79.8 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | trans | -97.3 | 90.6 | 174.6 | -67.4 | -39.2 | 0 | 0 | 0 | 109.5 | L309 | N290-L309 HydrophobicContact CB-CD2 4.46Å; N290-L309 WeakPolarHBondContact OD1-CD2 3.47Å | ||
| 291 | T | 68.9 | Low | 79.2 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | trans | -71.9 | 136.3 | 167.9 | 60.9 | 0 | 0 | 0 | 0 | 109.5 | W305 | T291-W305 PolarHBondContact O-NE1 2.91Å; T291-W305 VanDerWaalsContact OG1-CE2 3.29Å; T291-W305 WeakPolarHBondContact OG1-CH2 3.46Å; T291-W305 WeakPolarHBondContact OG1-CZ2 3.5Å | ||
| 292 | N | 65.8 | Low | 78.8 | Confident | 100 Ų | 100 | 56 Ų | 56 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | trans | -64.8 | 137.4 | -179.2 | -161.9 | 2 | 0 | 0 | 0 | 110.5 | N294 C295 | N292-N294 PolarHBondContact ND2-ND2 3.41Å; N292-N294 PolarHBondContact O-N 2.88Å; N292-N294 VanDerWaalsContact O-N 3.12Å; N292-C295 PolarHBondContact O-N 3.37Å | ||
| 293 | S | 62.4 | Low | 78.3 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -60.2 | -23.6 | 180 | 57 | 0 | 0 | 0 | 0 | 112.7 | C295 F296 | S293-C295 PolarHBondContact O-N 3.3Å; S293-F296 PolarHBondContact O-N 3.45Å; S293-F296 VanDerWaalsContact O-N 3.17Å |
| 294 | N | 63.2 | Low | 77.8 | Confident | 126 Ų | 126 | 58.2 Ų | 58.2 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -59.7 | -11.6 | 176.1 | -65.3 | -10 | 0 | 0 | 0 | 114.8 | N292 F296 | N292-N294 PolarHBondContact ND2-ND2 3.41Å; N292-N294 PolarHBondContact O-N 2.88Å; N292-N294 VanDerWaalsContact O-N 3.12Å; N294-F296 VanDerWaalsContact C-N 3.27Å; N294-F296 PolarHBondContact O-N 2.92Å |
| 295 | C | 67.1 | Low | 77.4 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -71.1 | -19.6 | 174.6 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | N292 S293 | N292-C295 PolarHBondContact O-N 3.37Å; S293-C295 PolarHBondContact O-N 3.3Å |
| 296 | F | 75.1 | Confident | 77.2 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | trans | -97.7 | 129.3 | -178 | -58.7 | -74.6 | 0 | 0 | 0 | 111.3 | V174 S293 N294 Q301 Q302 W305 | V174-F296 HydrophobicContact CB-CE1 4.08Å; V174-F296 HydrophobicContact CB-CZ 4.3Å; V174-F296 HydrophobicContact CG1-CD1 4.23Å; V174-F296 HydrophobicContact CG1-CE1 3.86Å; V174-F296 HydrophobicContact CG1-CZ 4.1Å; V174-F296 HydrophobicContact CG2-CE1 4.13Å; V174-F296 HydrophobicContact CG2-CZ 3.87Å; S293-F296 PolarHBondContact O-N 3.45Å; S293-F296 VanDerWaalsContact O-N 3.17Å; N294-F296 VanDerWaalsContact C-N 3.27Å; N294-F296 PolarHBondContact O-N 2.92Å; F296-Q301 HydrophobicContact CB-CB 3.84Å; F296-Q301 HydrophobicContact CD1-CB 4Å; F296-Q301 HydrophobicContact CG-CB 3.99Å; F296-Q302 HydrophobicContact CB-CG 3.91Å; F296-Q302 PolarHBondContact O-NE2 3.41Å; F296-W305 HydrophobicContact CD2-CB 4.06Å; F296-W305 HydrophobicContact CD2-CG 4.11Å; F296-W305 HydrophobicContact CE2-CB 3.77Å; F296-W305 AromaticContact CE2-CD1 3.98Å; F296-W305 AromaticContact CE2-CD2 3.63Å; F296-W305 HydrophobicContact CE2-CD2 3.63Å; F296-W305 HydrophobicContact CE2-CE3 4Å; F296-W305 AromaticContact CE2-CG 3.47Å; F296-W305 HydrophobicContact CE2-CG 3.47Å; F296-W305 VanDerWaalsContact CE2-CG 3.47Å; F296-W305 HydrophobicContact CZ-CD2 4.14Å; F296-W305 HydrophobicContact CZ-CE3 4.04Å; F296-W305 HydrophobicContact CZ-CG 4.36Å | ||
| 297 | Q | 77.4 | Confident | 77 | Confident | 194 Ų | 194 | 63.1 Ų | 63.1 | 91% | 0.907 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -80 | -27.8 | 178.5 | -66.4 | 179.4 | -8.2 | 0 | 0 | 112.6 | ||
| 298 | I | 82.1 | Confident | 76.9 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 46% | 0.462 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -95.2 | 130.6 | -173.8 | -62.2 | 164.9 | 0 | 0 | 0 | 110.2 | Q300 Q301 Q302 | I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 HydrophobicContact CG2-CB 4.21Å; I298-Q300 PolarHBondContact O-N 3.17Å; I298-Q301 HydrophobicContact CB-CB 4.41Å; I298-Q301 HydrophobicContact CB-CG 4.03Å; I298-Q301 HydrophobicContact CG2-CG 4.4Å; I298-Q301 WeakPolarHBondContact O-CB 3.4Å; I298-Q301 PolarHBondContact O-N 3.04Å; I298-Q302 PolarHBondContact O-N 3.03Å; I298-Q302 VanDerWaalsContact O-N 3.15Å |
| 299 | L | 84 | Confident | 76.7 | Confident | 118 Ų | 118 | 63.4 Ų | 63.4 | 62% | 0.618 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56 | -40.8 | -178.7 | -178.7 | 63.8 | 0 | 0 | 0 | 113.2 | Q301 Q302 I303 | L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.84Å; L299-Q302 WeakPolarHBondContact O-CB 3.14Å; L299-Q302 PolarHBondContact O-N 2.91Å; L299-I303 HydrophobicContact CD1-CD1 4.48Å; L299-I303 HydrophobicContact CG-CD1 4.08Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.01Å |
| 300 | Q | 79.9 | Confident | 76.7 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 178 | -68.9 | 177.1 | -16.8 | 0 | 0 | 112.4 | A178 I298 I303 I304 | A178-Q300 HydrophobicContact CB-CB 4.42Å; I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 HydrophobicContact CG2-CB 4.21Å; I298-Q300 PolarHBondContact O-N 3.17Å; Q300-I303 PolarHBondContact O-N 3.11Å; Q300-I304 PolarHBondContact O-N 3.06Å; Q300-I304 VanDerWaalsContact O-N 3.17Å |
| 301 | Q | 81.9 | Confident | 76.9 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 175.8 | -66.8 | 169.7 | -18.9 | 0 | 0 | 110.8 | V174 N175 A178 F296 I298 L299 I303 I304 W305 | V174-Q301 HydrophobicContact CG1-CB 3.81Å; V174-Q301 HydrophobicContact CG1-CG 4.15Å; N175-Q301 PolarHBondContact OD1-NE2 3.22Å; A178-Q301 HydrophobicContact CB-CG 4.22Å; F296-Q301 HydrophobicContact CB-CB 3.84Å; F296-Q301 HydrophobicContact CD1-CB 4Å; F296-Q301 HydrophobicContact CG-CB 3.99Å; I298-Q301 HydrophobicContact CB-CB 4.41Å; I298-Q301 HydrophobicContact CB-CG 4.03Å; I298-Q301 HydrophobicContact CG2-CG 4.4Å; I298-Q301 WeakPolarHBondContact O-CB 3.4Å; I298-Q301 PolarHBondContact O-N 3.04Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.84Å; Q301-I303 PolarHBondContact O-N 2.88Å; Q301-I304 PolarHBondContact O-N 3.25Å; Q301-W305 WeakPolarHBondContact O-CB 3.46Å; Q301-W305 PolarHBondContact O-N 3.32Å |
| 302 | Q | 81.4 | Confident | 77.5 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.4 | -65.7 | 177.1 | -0.2 | 0 | 0 | 112.1 | F296 I298 L299 I304 W305 N306 | F296-Q302 HydrophobicContact CB-CG 3.91Å; F296-Q302 PolarHBondContact O-NE2 3.41Å; I298-Q302 PolarHBondContact O-N 3.03Å; I298-Q302 VanDerWaalsContact O-N 3.15Å; L299-Q302 WeakPolarHBondContact O-CB 3.14Å; L299-Q302 PolarHBondContact O-N 2.91Å; Q302-I304 PolarHBondContact O-N 3.28Å; Q302-W305 PolarHBondContact O-N 2.84Å; Q302-N306 VanDerWaalsContact O-CG 3.3Å; Q302-N306 PolarHBondContact O-N 3.42Å; Q302-N306 PolarHBondContact O-ND2 3.43Å |
| 303 | I | 81.9 | Confident | 78.1 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -48.4 | 178.1 | -69.8 | 167 | 0 | 0 | 0 | 110.6 | L299 Q300 Q301 N306 K307 | L299-I303 HydrophobicContact CD1-CD1 4.48Å; L299-I303 HydrophobicContact CG-CD1 4.08Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.01Å; Q300-I303 PolarHBondContact O-N 3.11Å; Q301-I303 PolarHBondContact O-N 2.88Å; I303-N306 PolarHBondContact O-N 3.19Å; I303-K307 WeakPolarHBondContact O-CG 3.25Å; I303-K307 PolarHBondContact O-N 3.1Å; I303-K307 VanDerWaalsContact O-N 3.15Å |
| 304 | I | 81.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -39.8 | -179.2 | -78.1 | 161.1 | 0 | 0 | 0 | 112.1 | M177 A178 I181 Q300 Q301 Q302 N306 K307 F308 | M177-I304 VanDerWaalsContact C-CD1 3.48Å; M177-I304 HydrophobicContact CB-CG2 4.16Å; M177-I304 WeakPolarHBondContact O-CD1 3.45Å; A178-I304 HydrophobicContact CB-CD1 3.66Å; A178-I304 VanDerWaalsContact N-CD1 3.33Å; I181-I304 HydrophobicContact CB-CD1 4.11Å; I181-I304 HydrophobicContact CD1-CD1 3.84Å; I181-I304 HydrophobicContact CD1-CG1 3.84Å; I181-I304 HydrophobicContact CG1-CD1 4.12Å; I181-I304 HydrophobicContact CG1-CG1 4.39Å; Q300-I304 PolarHBondContact O-N 3.06Å; Q300-I304 VanDerWaalsContact O-N 3.17Å; Q301-I304 PolarHBondContact O-N 3.25Å; Q302-I304 PolarHBondContact O-N 3.28Å; I304-N306 VanDerWaalsContact C-N 3.29Å; I304-N306 PolarHBondContact O-N 3Å; I304-K307 WeakPolarHBondContact O-CA 3.47Å; I304-K307 WeakPolarHBondContact O-CB 3.19Å; I304-K307 PolarHBondContact O-N 3.49Å; I304-F308 HydrophobicContact CG2-CD1 4.4Å; I304-F308 HydrophobicContact CG2-CD2 4.05Å; I304-F308 HydrophobicContact CG2-CE1 3.82Å; I304-F308 HydrophobicContact CG2-CE2 3.45Å; I304-F308 VanDerWaalsContact CG2-CE2 3.45Å; I304-F308 HydrophobicContact CG2-CG 4.48Å; I304-F308 HydrophobicContact CG2-CZ 3.29Å; I304-F308 WeakPolarHBondContact O-CG 3.41Å; I304-F308 PolarHBondContact O-N 3.17Å |
| 305 | W | 81.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 175.8 | -174.7 | -106.4 | 0 | 0 | 0 | 111.8 | V174 T291 F296 Q301 Q302 K307 F308 L309 | V174-W305 HydrophobicContact CG2-CE3 3.58Å; V174-W305 HydrophobicContact CG2-CZ3 3.97Å; T291-W305 PolarHBondContact O-NE1 2.91Å; T291-W305 VanDerWaalsContact OG1-CE2 3.29Å; T291-W305 WeakPolarHBondContact OG1-CH2 3.46Å; T291-W305 WeakPolarHBondContact OG1-CZ2 3.5Å; F296-W305 HydrophobicContact CD2-CB 4.06Å; F296-W305 HydrophobicContact CD2-CG 4.11Å; F296-W305 HydrophobicContact CE2-CB 3.77Å; F296-W305 AromaticContact CE2-CD1 3.98Å; F296-W305 AromaticContact CE2-CD2 3.63Å; F296-W305 HydrophobicContact CE2-CD2 3.63Å; F296-W305 HydrophobicContact CE2-CE3 4Å; F296-W305 AromaticContact CE2-CG 3.47Å; F296-W305 HydrophobicContact CE2-CG 3.47Å; F296-W305 VanDerWaalsContact CE2-CG 3.47Å; F296-W305 HydrophobicContact CZ-CD2 4.14Å; F296-W305 HydrophobicContact CZ-CE3 4.04Å; F296-W305 HydrophobicContact CZ-CG 4.36Å; Q301-W305 WeakPolarHBondContact O-CB 3.46Å; Q301-W305 PolarHBondContact O-N 3.32Å; Q302-W305 PolarHBondContact O-N 2.84Å; W305-K307 VanDerWaalsContact C-N 3.28Å; W305-K307 PolarHBondContact O-N 3.33Å; W305-F308 AromaticContact CE3-CD2 3.94Å; W305-F308 HydrophobicContact CE3-CD2 3.94Å; W305-F308 HydrophobicContact CZ3-CD2 4.25Å; W305-F308 WeakPolarHBondContact O-CB 3.34Å; W305-F308 PolarHBondContact O-N 2.79Å; W305-F308 VanDerWaalsContact O-N 3.14Å; W305-L309 HydrophobicContact CZ2-CD2 4.05Å; W305-L309 HydrophobicContact CZ2-CG 4.48Å; W305-L309 WeakPolarHBondContact O-CG 3.39Å; W305-L309 PolarHBondContact O-N 2.93Å |
| 306 | N | 81.2 | Confident | 79.8 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 174.8 | -70.3 | -18.5 | 0 | 0 | 0 | 112.1 | Q302 I303 I304 L309 N310 | Q302-N306 VanDerWaalsContact O-CG 3.3Å; Q302-N306 PolarHBondContact O-N 3.42Å; Q302-N306 PolarHBondContact O-ND2 3.43Å; I303-N306 PolarHBondContact O-N 3.19Å; I304-N306 VanDerWaalsContact C-N 3.29Å; I304-N306 PolarHBondContact O-N 3Å; N306-L309 PolarHBondContact O-N 3.26Å; N306-N310 PolarHBondContact O-N 3.18Å |
| 307 | K | 82 | Confident | 79.7 | Confident | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 173.3 | -68.5 | -169.7 | -175.5 | -158 | 0 | 111.9 | D212 L215 F216 I303 I304 W305 L309 N310 Y311 | D212-K307 HydrophobicContact CB-CD 4.43Å; D212-K307 IonicContact OD1-NZ 2.79Å; D212-K307 PolarHBondContact OD1-NZ 2.65Å; D212-K307 WeakPolarHBondContact OD2-CE 2.99Å; D212-K307 IonicContact OD2-NZ 3.2Å; D212-K307 PolarHBondContact OD2-NZ 2.74Å; L215-K307 HydrophobicContact CD2-CB 4.48Å; L215-K307 HydrophobicContact CD2-CD 3.75Å; F216-K307 HydrophobicContact CZ-CB 3.97Å; F216-K307 WeakPolarHBondContact CZ-O 3.47Å; I303-K307 WeakPolarHBondContact O-CG 3.25Å; I303-K307 PolarHBondContact O-N 3.1Å; I303-K307 VanDerWaalsContact O-N 3.15Å; I304-K307 WeakPolarHBondContact O-CA 3.47Å; I304-K307 WeakPolarHBondContact O-CB 3.19Å; I304-K307 PolarHBondContact O-N 3.49Å; W305-K307 VanDerWaalsContact C-N 3.28Å; W305-K307 PolarHBondContact O-N 3.33Å; K307-L309 PolarHBondContact O-N 3.35Å; K307-N310 PolarHBondContact O-N 2.65Å; K307-Y311 PolarHBondContact O-N 3.47Å |
| 308 | F | 84.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.5 | -64.1 | -22.6 | 0 | 0 | 0 | 112.3 | Y168 V174 M177 F216 I304 W305 N310 Y311 R312 | Y168-F308 AromaticContact CD1-CD1 3.58Å; Y168-F308 HydrophobicContact CD1-CD1 3.58Å; Y168-F308 AromaticContact CD1-CD2 3.81Å; Y168-F308 HydrophobicContact CD1-CD2 3.81Å; Y168-F308 AromaticContact CD1-CE1 3.31Å; Y168-F308 HydrophobicContact CD1-CE1 3.31Å; Y168-F308 AromaticContact CD1-CE2 3.52Å; Y168-F308 HydrophobicContact CD1-CE2 3.52Å; Y168-F308 AromaticContact CD1-CG 3.85Å; Y168-F308 HydrophobicContact CD1-CG 3.85Å; Y168-F308 AromaticContact CD1-CZ 3.27Å; Y168-F308 HydrophobicContact CD1-CZ 3.27Å; Y168-F308 HydrophobicContact CD2-CB 4.33Å; Y168-F308 AromaticContact CD2-CD1 3.9Å; Y168-F308 HydrophobicContact CD2-CD1 3.9Å; Y168-F308 HydrophobicContact CD2-CE1 4.4Å; Y168-F308 HydrophobicContact CD2-CG 4.08Å; Y168-F308 AromaticContact CE1-CD1 3.66Å; Y168-F308 HydrophobicContact CE1-CD1 3.66Å; Y168-F308 AromaticContact CE1-CE1 3.15Å; Y168-F308 HydrophobicContact CE1-CE1 3.15Å; Y168-F308 HydrophobicContact CE1-CE2 4.19Å; Y168-F308 HydrophobicContact CE1-CG 4.39Å; Y168-F308 AromaticContact CE1-CZ 3.46Å; Y168-F308 HydrophobicContact CE1-CZ 3.46Å; Y168-F308 VanDerWaalsContact CE1-CZ 3.46Å; Y168-F308 AromaticContact CE2-CD1 3.97Å; Y168-F308 HydrophobicContact CE2-CD1 3.97Å; Y168-F308 HydrophobicContact CE2-CE1 4.28Å; Y168-F308 HydrophobicContact CG-CB 4.25Å; Y168-F308 AromaticContact CG-CD1 3.71Å; Y168-F308 HydrophobicContact CG-CD1 3.71Å; Y168-F308 AromaticContact CG-CD2 3.84Å; Y168-F308 HydrophobicContact CG-CD2 3.84Å; Y168-F308 AromaticContact CG-CE1 3.96Å; Y168-F308 HydrophobicContact CG-CE1 3.96Å; Y168-F308 HydrophobicContact CG-CE2 4.04Å; Y168-F308 AromaticContact CG-CG 3.68Å; Y168-F308 HydrophobicContact CG-CG 3.68Å; Y168-F308 HydrophobicContact CG-CZ 4.11Å; Y168-F308 AromaticContact CZ-CD1 3.85Å; Y168-F308 AromaticContact CZ-CE1 3.68Å; V174-F308 HydrophobicContact CG2-CD2 4.36Å; V174-F308 HydrophobicContact CG2-CE2 4.06Å; M177-F308 HydrophobicContact CB-CZ 3.91Å; M177-F308 HydrophobicContact CG-CZ 3.92Å; F216-F308 HydrophobicContact CD1-CD1 4.38Å; F216-F308 HydrophobicContact CD1-CE1 4.46Å; F216-F308 AromaticContact CE1-CD1 3.66Å; F216-F308 HydrophobicContact CE1-CD1 3.66Å; F216-F308 AromaticContact CE1-CE1 3.94Å; F216-F308 HydrophobicContact CE1-CE1 3.94Å; I304-F308 HydrophobicContact CG2-CD1 4.4Å; I304-F308 HydrophobicContact CG2-CD2 4.05Å; I304-F308 HydrophobicContact CG2-CE1 3.82Å; I304-F308 HydrophobicContact CG2-CE2 3.45Å; I304-F308 VanDerWaalsContact CG2-CE2 3.45Å; I304-F308 HydrophobicContact CG2-CG 4.48Å; I304-F308 HydrophobicContact CG2-CZ 3.29Å; I304-F308 WeakPolarHBondContact O-CG 3.41Å; I304-F308 PolarHBondContact O-N 3.17Å; W305-F308 AromaticContact CE3-CD2 3.94Å; W305-F308 HydrophobicContact CE3-CD2 3.94Å; W305-F308 HydrophobicContact CZ3-CD2 4.25Å; W305-F308 WeakPolarHBondContact O-CB 3.34Å; W305-F308 PolarHBondContact O-N 2.79Å; W305-F308 VanDerWaalsContact O-N 3.14Å; F308-N310 VanDerWaalsContact C-N 3.33Å; F308-N310 PolarHBondContact O-N 2.68Å; F308-Y311 PolarHBondContact O-N 2.85Å; F308-R312 WeakPolarHBondContact O-CB 3.42Å; F308-R312 WeakPolarHBondContact O-CD 3.36Å; F308-R312 VanDerWaalsContact O-CG 3.28Å; F308-R312 WeakPolarHBondContact O-CG 3.34Å; F308-R312 PolarHBondContact O-N 2.92Å |
| 309 | L | 78.4 | Confident | 78.6 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.1 | -70.8 | 176.4 | 0 | 0 | 0 | 111.7 | N290 W305 N306 K307 R312 K313 | N290-L309 HydrophobicContact CB-CD2 4.46Å; N290-L309 WeakPolarHBondContact OD1-CD2 3.47Å; W305-L309 HydrophobicContact CZ2-CD2 4.05Å; W305-L309 HydrophobicContact CZ2-CG 4.48Å; W305-L309 WeakPolarHBondContact O-CG 3.39Å; W305-L309 PolarHBondContact O-N 2.93Å; N306-L309 PolarHBondContact O-N 3.26Å; K307-L309 PolarHBondContact O-N 3.35Å; L309-R312 PolarHBondContact O-N 2.71Å; L309-K313 WeakPolarHBondContact O-CG 3.49Å; L309-K313 PolarHBondContact O-N 2.9Å |
| 310 | N | 78.8 | Confident | 77.2 | Confident | 73 Ų | 73 | 40.8 Ų | 40.8 | 39% | 0.39 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.5 | -72.9 | -13.6 | 0 | 0 | 0 | 112.3 | F210 N306 K307 F308 K313 Y314 | F210-N310 HydrophobicContact CE1-CB 4.09Å; N306-N310 PolarHBondContact O-N 3.18Å; K307-N310 PolarHBondContact O-N 2.65Å; F308-N310 VanDerWaalsContact C-N 3.33Å; F308-N310 PolarHBondContact O-N 2.68Å; N310-K313 PolarHBondContact O-N 2.9Å; N310-Y314 PolarHBondContact O-N 3.4Å |
| 311 | Y | 77.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.4 | -178.9 | -107.2 | 0 | 0 | 0 | 112.4 | Y168 F213 F216 T219 E220 K307 F308 Y314 L315 | Y168-Y311 AromaticContact CE2-CD1 3.99Å; Y168-Y311 HydrophobicContact CE2-CD1 3.99Å; Y168-Y311 HydrophobicContact CE2-CE1 4.27Å; F213-Y311 AromaticContact CD1-CD2 3.86Å; F213-Y311 HydrophobicContact CD1-CD2 3.86Å; F213-Y311 HydrophobicContact CD1-CE2 4.06Å; F213-Y311 AromaticContact CE1-CD2 3.66Å; F213-Y311 HydrophobicContact CE1-CD2 3.66Å; F213-Y311 HydrophobicContact CE1-CE2 4.04Å; F216-Y311 HydrophobicContact CB-CD1 4.37Å; F216-Y311 HydrophobicContact CB-CD2 4.01Å; F216-Y311 HydrophobicContact CB-CE1 4.18Å; F216-Y311 HydrophobicContact CB-CE2 3.83Å; F216-Y311 HydrophobicContact CB-CG 4.29Å; F216-Y311 HydrophobicContact CD1-CD1 4.48Å; F216-Y311 HydrophobicContact CD1-CG 4.31Å; F216-Y311 HydrophobicContact CD2-CD1 4.34Å; F216-Y311 AromaticContact CD2-CD2 3.24Å; F216-Y311 HydrophobicContact CD2-CD2 3.24Å; F216-Y311 AromaticContact CD2-CE2 3.89Å; F216-Y311 HydrophobicContact CD2-CE2 3.89Å; F216-Y311 AromaticContact CD2-CG 3.52Å; F216-Y311 HydrophobicContact CD2-CG 3.52Å; F216-Y311 VanDerWaalsContact CE2-CB 3.5Å; F216-Y311 AromaticContact CE2-CD2 3.82Å; F216-Y311 HydrophobicContact CE2-CD2 3.82Å; F216-Y311 AromaticContact CE2-CG 3.81Å; F216-Y311 HydrophobicContact CE2-CG 3.81Å; F216-Y311 HydrophobicContact CG-CD1 4.13Å; F216-Y311 AromaticContact CG-CD2 3.74Å; F216-Y311 HydrophobicContact CG-CD2 3.74Å; F216-Y311 HydrophobicContact CG-CE1 4.44Å; F216-Y311 HydrophobicContact CG-CE2 4.1Å; F216-Y311 AromaticContact CG-CG 3.76Å; F216-Y311 HydrophobicContact CG-CG 3.76Å; F216-Y311 HydrophobicContact CZ-CG 4.27Å; T219-Y311 HydrophobicContact CG2-CE1 3.75Å; E220-Y311 WeakPolarHBondContact OE1-CE2 3.32Å; E220-Y311 VanDerWaalsContact OE1-CZ 3.31Å; E220-Y311 PolarHBondContact OE1-OH 2.82Å; K307-Y311 PolarHBondContact O-N 3.47Å; F308-Y311 PolarHBondContact O-N 2.85Å; Y311-Y314 HydrophobicContact CD2-CD1 4.35Å; Y311-Y314 HydrophobicContact CE2-CD1 4.35Å; Y311-Y314 WeakPolarHBondContact O-CB 3.45Å; Y311-Y314 PolarHBondContact O-N 3.07Å; Y311-L315 HydrophobicContact CD1-CD1 4.01Å; Y311-L315 HydrophobicContact CD1-CG 4.34Å; Y311-L315 HydrophobicContact CE1-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.49Å; Y311-L315 HydrophobicContact CE1-CD2 4.42Å; Y311-L315 HydrophobicContact CE1-CG 3.93Å; Y311-L315 WeakPolarHBondContact O-CG 3.39Å; Y311-L315 PolarHBondContact O-N 3.04Å |
| 312 | R | 80.6 | Confident | 73.9 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 173.8 | -75 | 164.2 | 165 | -160.2 | 1.6 | 112.5 | L167 Y168 A286 L287 N289 F308 L309 Y314 L315 Y316 | L167-R312 PolarHBondContact O-NH2 3.23Å; Y168-R312 PolarHBondContact O-NH2 3.05Å; A286-R312 WeakPolarHBondContact O-CD 3.47Å; A286-R312 VanDerWaalsContact O-CZ 3.22Å; A286-R312 PolarHBondContact O-NE 3.16Å; A286-R312 VanDerWaalsContact O-NE 3.12Å; A286-R312 PolarHBondContact O-NH1 3.33Å; L287-R312 WeakPolarHBondContact CD2-O 3.11Å; N289-R312 PolarHBondContact O-NH1 3.39Å; F308-R312 WeakPolarHBondContact O-CB 3.42Å; F308-R312 WeakPolarHBondContact O-CD 3.36Å; F308-R312 VanDerWaalsContact O-CG 3.28Å; F308-R312 WeakPolarHBondContact O-CG 3.34Å; F308-R312 PolarHBondContact O-N 2.92Å; L309-R312 PolarHBondContact O-N 2.71Å; R312-Y314 VanDerWaalsContact C-N 3.31Å; R312-Y314 PolarHBondContact O-N 3.47Å; R312-L315 PolarHBondContact O-N 3.16Å; R312-Y316 WeakPolarHBondContact O-CB 3.5Å; R312-Y316 PolarHBondContact O-N 3.08Å |
| 313 | K | 78.8 | Confident | 71.9 | Confident | 116 Ų | 116 | 44.5 Ų | 44.5 | 50% | 0.504 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 172.8 | -75.4 | 176.9 | 179 | -176.7 | 0 | 111.8 | L309 N310 Y316 N317 | L309-K313 WeakPolarHBondContact O-CG 3.49Å; L309-K313 PolarHBondContact O-N 2.9Å; N310-K313 PolarHBondContact O-N 2.9Å; K313-Y316 PolarHBondContact O-N 3.3Å; K313-N317 WeakPolarHBondContact O-CB 3.04Å; K313-N317 PolarHBondContact O-N 3.46Å; K313-N317 PolarHBondContact O-ND2 2.99Å |
| 314 | Y | 75.2 | Confident | 69.6 | Low | 62 Ų | 62 | 45.3 Ų | 45.3 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 173.6 | 168.5 | -96.9 | 0 | 0 | 0 | 111.8 | V198 F213 N310 Y311 R312 Y316 N317 N318 | V198-Y314 HydrophobicContact CG1-CD1 4.23Å; V198-Y314 HydrophobicContact CG1-CE1 3.25Å; V198-Y314 PolarHBondContact O-OH 3.25Å; F213-Y314 HydrophobicContact CD1-CD1 4.45Å; F213-Y314 HydrophobicContact CD1-CE1 4.21Å; F213-Y314 AromaticContact CE1-CD1 3.31Å; F213-Y314 HydrophobicContact CE1-CD1 3.31Å; F213-Y314 AromaticContact CE1-CD2 3.94Å; F213-Y314 HydrophobicContact CE1-CD2 3.94Å; F213-Y314 AromaticContact CE1-CE1 3.35Å; F213-Y314 HydrophobicContact CE1-CE1 3.35Å; F213-Y314 HydrophobicContact CE1-CE2 4.01Å; F213-Y314 AromaticContact CE1-CG 3.56Å; F213-Y314 HydrophobicContact CE1-CG 3.56Å; F213-Y314 AromaticContact CE1-CZ 3.74Å; F213-Y314 HydrophobicContact CE2-CD2 4.34Å; F213-Y314 HydrophobicContact CE2-CE2 4.3Å; F213-Y314 AromaticContact CZ-CD1 3.68Å; F213-Y314 HydrophobicContact CZ-CD1 3.68Å; F213-Y314 AromaticContact CZ-CD2 3.38Å; F213-Y314 HydrophobicContact CZ-CD2 3.38Å; F213-Y314 AromaticContact CZ-CE1 3.82Å; F213-Y314 HydrophobicContact CZ-CE1 3.82Å; F213-Y314 AromaticContact CZ-CE2 3.57Å; F213-Y314 HydrophobicContact CZ-CE2 3.57Å; F213-Y314 AromaticContact CZ-CG 3.4Å; F213-Y314 HydrophobicContact CZ-CG 3.4Å; F213-Y314 VanDerWaalsContact CZ-CG 3.4Å; F213-Y314 AromaticContact CZ-CZ 3.79Å; N310-Y314 PolarHBondContact O-N 3.4Å; Y311-Y314 HydrophobicContact CD2-CD1 4.35Å; Y311-Y314 HydrophobicContact CE2-CD1 4.35Å; Y311-Y314 WeakPolarHBondContact O-CB 3.45Å; Y311-Y314 PolarHBondContact O-N 3.07Å; R312-Y314 VanDerWaalsContact C-N 3.31Å; R312-Y314 PolarHBondContact O-N 3.47Å; Y314-Y316 VanDerWaalsContact C-N 3.29Å; Y314-Y316 PolarHBondContact O-N 3.38Å; Y314-N317 PolarHBondContact O-N 3.17Å; Y314-N318 WeakPolarHBondContact CD2-ND2 3.47Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.49Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.38Å; Y314-N318 WeakPolarHBondContact O-CB 3.41Å; Y314-N318 PolarHBondContact O-N 2.79Å; Y314-N318 PolarHBondContact O-ND2 3.23Å |
| 315 | L | 75.4 | Confident | 67.5 | Low | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 174 | -72.6 | 179 | 0 | 0 | 0 | 111.7 | V198 L223 F283 L287 Y311 R312 N318 Q319 | V198-L315 HydrophobicContact CG1-CD2 4.28Å; L223-L315 HydrophobicContact CD1-CD1 4.25Å; L223-L315 HydrophobicContact CD1-CD2 4.04Å; F283-L315 HydrophobicContact CE2-CD1 4.49Å; L287-L315 HydrophobicContact CD2-CB 3.77Å; Y311-L315 HydrophobicContact CD1-CD1 4.01Å; Y311-L315 HydrophobicContact CD1-CG 4.34Å; Y311-L315 HydrophobicContact CE1-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.49Å; Y311-L315 HydrophobicContact CE1-CD2 4.42Å; Y311-L315 HydrophobicContact CE1-CG 3.93Å; Y311-L315 WeakPolarHBondContact O-CG 3.39Å; Y311-L315 PolarHBondContact O-N 3.04Å; R312-L315 PolarHBondContact O-N 3.16Å; L315-N318 CarbonylContact O-C 3.58Å; L315-N318 VanDerWaalsContact O-C 3.29Å; L315-N318 PolarHBondContact O-N 2.85Å; L315-Q319 WeakPolarHBondContact O-CG 3.27Å; L315-Q319 PolarHBondContact O-N 3.4Å |
| 316 | Y | 77.8 | Confident | 65.1 | Low | 30 Ų | 30 | 59 Ų | 59 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.2 | 174.9 | -102.9 | 0 | 0 | 0 | 112.8 | F288 R312 K313 Y314 N318 Q319 F408 R411 | F288-Y316 HydrophobicContact CE1-CD2 4Å; F288-Y316 AromaticContact CE1-CE2 3.6Å; F288-Y316 HydrophobicContact CE1-CE2 3.6Å; F288-Y316 HydrophobicContact CZ-CD2 4.1Å; F288-Y316 AromaticContact CZ-CE2 3.83Å; F288-Y316 HydrophobicContact CZ-CE2 3.83Å; R312-Y316 WeakPolarHBondContact O-CB 3.5Å; R312-Y316 PolarHBondContact O-N 3.08Å; K313-Y316 PolarHBondContact O-N 3.3Å; Y314-Y316 VanDerWaalsContact C-N 3.29Å; Y314-Y316 PolarHBondContact O-N 3.38Å; Y316-N318 VanDerWaalsContact C-N 3.26Å; Y316-N318 PolarHBondContact O-N 3.15Å; Y316-Q319 WeakPolarHBondContact O-CG 3.4Å; Y316-Q319 PolarHBondContact O-N 3.06Å; Y316-F408 HydrophobicContact CE2-CD2 4.45Å; Y316-R411 PolarHBondContact O-NH1 3.49Å |
| 317 | N | 72.8 | Confident | 62.8 | Low | 90 Ų | 90 | 58.2 Ų | 58.2 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 178.7 | -71.6 | -19.3 | 0 | 0 | 0 | 111.4 | K313 Y314 Q319 | K313-N317 WeakPolarHBondContact O-CB 3.04Å; K313-N317 PolarHBondContact O-N 3.46Å; K313-N317 PolarHBondContact O-ND2 2.99Å; Y314-N317 PolarHBondContact O-N 3.17Å; N317-Q319 VanDerWaalsContact C-N 3.34Å; N317-Q319 PolarHBondContact O-N 3.41Å |
| 318 | N | 68.6 | Low | 60.5 | Low | 54 Ų | 54 | 62.5 Ų | 62.5 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 34.3 | 174.9 | -63.1 | -28 | 0 | 0 | 0 | 112.5 | Y314 L315 Y316 N333 | Y314-N318 WeakPolarHBondContact CD2-ND2 3.47Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.49Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.38Å; Y314-N318 WeakPolarHBondContact O-CB 3.41Å; Y314-N318 PolarHBondContact O-N 2.79Å; Y314-N318 PolarHBondContact O-ND2 3.23Å; L315-N318 CarbonylContact O-C 3.58Å; L315-N318 VanDerWaalsContact O-C 3.29Å; L315-N318 PolarHBondContact O-N 2.85Å; Y316-N318 VanDerWaalsContact C-N 3.26Å; Y316-N318 PolarHBondContact O-N 3.15Å; N318-N333 VanDerWaalsContact C-ND2 3.27Å; N318-N333 PolarHBondContact O-ND2 3.38Å; N318-N333 PolarHBondContact O-OD1 3.48Å |
| 319 | Q | 68.2 | Low | 58.2 | Low | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -13.9 | 168.4 | -63.4 | -165.6 | -40.9 | 0 | 0 | 113.9 | L315 Y316 N317 N333 M335 H412 | L315-Q319 WeakPolarHBondContact O-CG 3.27Å; L315-Q319 PolarHBondContact O-N 3.4Å; Y316-Q319 WeakPolarHBondContact O-CG 3.4Å; Y316-Q319 PolarHBondContact O-N 3.06Å; N317-Q319 VanDerWaalsContact C-N 3.34Å; N317-Q319 PolarHBondContact O-N 3.41Å; Q319-N333 WeakPolarHBondContact CA-ND2 3.39Å; Q319-N333 WeakPolarHBondContact CA-OD1 3.32Å; Q319-N333 PolarHBondContact O-ND2 3.15Å; Q319-N333 PolarHBondContact O-OD1 2.81Å; Q319-M335 HydrophobicContact CB-CG 4.28Å; Q319-H412 PolarHBondContact O-CE1 3.21Å; Q319-H412 VanDerWaalsContact O-CE1 3.3Å |
| 320 | G | 53.9 | Low | 56.3 | Low | 6 Ų | 6 | 68.1 Ų | 68.1 | 6% | 0.062 | 38% | 0.377 | C | S | . | . | trans | 165.3 | 116.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | N333 R411 | G320-N333 PolarHBondContact N-ND2 3.17Å; G320-R411 WeakPolarHBondContact O-CD 3.28Å; G320-R411 PolarHBondContact O-NE 3.47Å | ||
| 321 | V | 47.6 | Very low | 54.6 | Low | 86 Ų | 86 | 68.2 Ų | 68.2 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | trans | -64.3 | 135.1 | 154.8 | -171.9 | 0 | 0 | 0 | 0 | 105 | V323 | V321-V323 PolarHBondContact O-N 3.26Š| ||
| 322 | I | 44.7 | Very low | 53.4 | Low | 73 Ų | 73 | 70.4 Ų | 70.4 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | trans | -52.6 | 112.9 | 164.9 | -63.1 | 169.5 | 0 | 0 | 0 | 104.4 | L324 R411 | I322-L324 PolarHBondContact O-N 2.64Å; I322-R411 HydrophobicContact CG1-CG 4.39Å | ||
| 323 | V | 40 | Very low | 52.9 | Low | 110 Ų | 110 | 70.5 Ų | 70.5 | 67% | 0.667 | 39% | 0.386 | S | S | * | . | trans | -57.2 | 105.1 | -174.8 | 175.6 | 0 | 0 | 0 | 0 | 107.5 | V321 | V321-V323 PolarHBondContact O-N 3.26Š| ||
| 324 | L | 32.4 | Very low | 53.1 | Low | 88 Ų | 88 | 65.4 Ų | 65.4 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | trans | -69.2 | 126.3 | 151.5 | -86.3 | 85.2 | 0 | 0 | 0 | 104.8 | I322 E326 S327 | I322-L324 PolarHBondContact O-N 2.64Å; L324-E326 PolarHBondContact O-N 2.93Å; L324-S327 PolarHBondContact O-N 2.79Å | ||
| 325 | P | 37.3 | Very low | 53.5 | Low | 122 Ų | 122 | 62.5 Ų | 62.5 | 79% | 0.792 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -10.7 | -179.1 | -26.1 | 33.6 | 0 | 0 | 0 | 115.2 | ||
| 326 | E | 31.9 | Very low | 53.7 | Low | 180 Ų | 180 | 64.8 Ų | 64.8 | 84% | 0.841 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.7 | -174.3 | -64.6 | -175.3 | 164.7 | 0 | 0 | 115.5 | L324 S328 | L324-E326 PolarHBondContact O-N 2.93Å; E326-S328 PolarHBondContact O-N 3.01Å |
| 327 | S | 33.3 | Very low | 53.9 | Low | 53 Ų | 53 | 64.1 Ų | 64.1 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | trans | -87.7 | 95.6 | 171.7 | 69.9 | 0 | 0 | 0 | 0 | 110.4 | L324 I329 | L324-S327 PolarHBondContact O-N 2.79Å; S327-I329 PolarHBondContact O-N 3.18Å | ||
| 328 | S | 33.4 | Very low | 54.7 | Low | 119 Ų | 119 | 59.9 Ų | 59.9 | 83% | 0.832 | 34% | 0.34 | S | S | * | . | trans | -67.4 | 6.8 | 174.1 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | E326 P330 | E326-S328 PolarHBondContact O-N 3.01Å; S328-P330 WeakPolarHBondContact O-CD 3.48Å | ||
| 329 | I | 36.1 | Very low | 55.5 | Low | 64 Ų | 64 | 58.3 Ų | 58.3 | 33% | 0.328 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -88.7 | 107.4 | 174.2 | -56.8 | 159.1 | 0 | 0 | 0 | 107 | S327 H331 | S327-I329 PolarHBondContact O-N 3.18Å; I329-H331 PolarHBondContact O-N 3.4Å |
| 330 | P | 38 | Very low | 56.3 | Low | 82 Ų | 82 | 65.8 Ų | 65.8 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | trans | -67.3 | 90.3 | 173.4 | 28.7 | -32.4 | 0 | 0 | 0 | 107.5 | S328 H332 | S328-P330 WeakPolarHBondContact O-CD 3.48Å; P330-H332 PolarHBondContact O-N 2.87Å | ||
| 331 | H | 42.9 | Very low | 57.9 | Low | 74 Ų | 74 | 65.5 Ų | 65.5 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | trans | -55.9 | 106.6 | 170.7 | -69.8 | -57.6 | 0 | 0 | 0 | 107.1 | I329 N333 | I329-H331 PolarHBondContact O-N 3.4Å; H331-N333 PolarHBondContact O-N 3.48Å | ||
| 332 | H | 52 | Low | 60 | Low | 48 Ų | 48 | 61.4 Ų | 61.4 | 22% | 0.222 | 33% | 0.333 | C | S | . | . | trans | -71.1 | 64.1 | -173.5 | -84.7 | -59.1 | 0 | 0 | 0 | 110.7 | F197 P330 R337 | F197-H332 CarbonylContact C-O 3.46Å; F197-H332 WeakPolarHBondContact CA-O 3.27Å; F197-H332 HydrophobicContact CD1-CB 4.23Å; P330-H332 PolarHBondContact O-N 2.87Å; H332-R337 PolarHBondContact ND1-NH2 2.8Å | ||
| 333 | N | 70.9 | Confident | 62.1 | Low | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | trans | -74.9 | 139.3 | -172.9 | -150.4 | -60.4 | 0 | 0 | 0 | 112.4 | N318 Q319 G320 H331 M335 N336 R337 | N318-N333 VanDerWaalsContact C-ND2 3.27Å; N318-N333 PolarHBondContact O-ND2 3.38Å; N318-N333 PolarHBondContact O-OD1 3.48Å; Q319-N333 WeakPolarHBondContact CA-ND2 3.39Å; Q319-N333 WeakPolarHBondContact CA-OD1 3.32Å; Q319-N333 PolarHBondContact O-ND2 3.15Å; Q319-N333 PolarHBondContact O-OD1 2.81Å; G320-N333 PolarHBondContact N-ND2 3.17Å; H331-N333 PolarHBondContact O-N 3.48Å; N333-M335 PolarHBondContact O-N 3.17Å; N333-M335 PolarHBondContact OD1-N 3.29Å; N333-M335 VanDerWaalsContact OD1-N 3.1Å; N333-N336 HydrophobicContact CB-CB 3.85Å; N333-N336 PolarHBondContact O-N 3.06Å; N333-R337 WeakPolarHBondContact O-CG 3.41Å; N333-R337 PolarHBondContact O-N 2.65Å | ||
| 334 | I | 81.8 | Confident | 64.3 | Low | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -50.6 | -46.1 | 170.1 | -64.2 | 166 | 0 | 0 | 0 | 110.7 | L223 L231 F279 F283 R337 F338 | L223-I334 HydrophobicContact CB-CD1 4.35Å; L223-I334 HydrophobicContact CD1-CD1 4.04Å; L223-I334 HydrophobicContact CD2-CD1 4.01Å; L223-I334 HydrophobicContact CG-CD1 4.37Å; L231-I334 HydrophobicContact CD1-CG2 4.08Å; F279-I334 HydrophobicContact CE1-CG2 3.84Å; F279-I334 HydrophobicContact CZ-CG2 3.87Å; F283-I334 HydrophobicContact CE1-CG2 4.2Å; F283-I334 HydrophobicContact CE2-CD1 4.04Å; F283-I334 HydrophobicContact CZ-CB 4.47Å; F283-I334 HydrophobicContact CZ-CD1 3.94Å; F283-I334 HydrophobicContact CZ-CG2 4.25Å; I334-R337 PolarHBondContact O-N 2.65Å; I334-F338 WeakPolarHBondContact O-CB 3.17Å; I334-F338 PolarHBondContact O-N 3.48Å |
| 335 | M | 84.2 | Confident | 67.1 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.8 | -33.9 | -177.7 | -73.2 | -56.1 | -64.7 | 0 | 0 | 113.2 | L280 F283 Y284 Q319 N333 F338 S339 H412 L415 | L280-M335 HydrophobicContact CD2-SD 4.39Å; F283-M335 HydrophobicContact CE1-CG 4.47Å; F283-M335 HydrophobicContact CE1-SD 4.35Å; Y284-M335 HydrophobicContact CE1-CE 4.26Å; Y284-M335 HydrophobicContact CE1-SD 4.03Å; Y284-M335 WeakPolarHBondContact OH-CE 3.45Å; Q319-M335 HydrophobicContact CB-CG 4.28Å; N333-M335 PolarHBondContact O-N 3.17Å; N333-M335 PolarHBondContact OD1-N 3.29Å; N333-M335 VanDerWaalsContact OD1-N 3.1Å; M335-F338 HydrophobicContact CE-CD1 4.3Å; M335-F338 PolarHBondContact O-N 2.73Å; M335-S339 WeakPolarHBondContact O-CB 3.33Å; M335-S339 PolarHBondContact O-N 2.72Å; M335-H412 WeakPolarHBondContact CB-CE1 3.45Å; M335-L415 HydrophobicContact CE-CD1 4.08Å |
| 336 | N | 80.6 | Confident | 69.7 | Low | 60 Ų | 60 | 44.8 Ų | 44.8 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.8 | -40.2 | 174.6 | -71.9 | -17.3 | 0 | 0 | 0 | 111.3 | N333 S339 R340 | N333-N336 HydrophobicContact CB-CB 3.85Å; N333-N336 PolarHBondContact O-N 3.06Å; N336-S339 PolarHBondContact O-N 2.78Å; N336-R340 WeakPolarHBondContact O-CG 3.35Å; N336-R340 PolarHBondContact O-N 3.42Å |
| 337 | R | 80.6 | Confident | 72.4 | Confident | 17 Ų | 17 | 38.3 Ų | 38.3 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 172.8 | -72.7 | 176.3 | 176.5 | -112.5 | -7.9 | 111.1 | F197 L231 S232 H332 N333 I334 S339 R340 F341 | F197-R337 VanDerWaalsContact CD1-CZ 3.45Å; L231-R337 HydrophobicContact CB-CB 4.28Å; L231-R337 HydrophobicContact CD1-CB 4.48Å; S232-R337 PolarHBondContact OG-NH1 2.79Å; H332-R337 PolarHBondContact ND1-NH2 2.8Å; N333-R337 WeakPolarHBondContact O-CG 3.41Å; N333-R337 PolarHBondContact O-N 2.65Å; I334-R337 PolarHBondContact O-N 2.65Å; R337-S339 VanDerWaalsContact C-N 3.34Å; R337-S339 PolarHBondContact O-N 3.07Å; R337-R340 PolarHBondContact O-N 2.79Å; R337-F341 VanDerWaalsContact O-CB 3.3Å; R337-F341 WeakPolarHBondContact O-CB 3.49Å; R337-F341 PolarHBondContact O-N 2.83Å |
| 338 | F | 89.5 | Confident | 74.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -45.3 | 173.4 | 173 | -101.9 | 0 | 0 | 0 | 111.9 | L231 V276 L280 I334 M335 R340 F341 I342 T361 L415 | L231-F338 HydrophobicContact CD2-CB 4.26Å; L231-F338 HydrophobicContact CD2-CD2 4.13Å; V276-F338 HydrophobicContact CG1-CD2 3.94Å; V276-F338 HydrophobicContact CG1-CE2 3.89Å; L280-F338 HydrophobicContact CD1-CD2 4.04Å; L280-F338 HydrophobicContact CD1-CE1 4.23Å; L280-F338 HydrophobicContact CD1-CE2 3.53Å; L280-F338 HydrophobicContact CD1-CZ 3.63Å; L280-F338 HydrophobicContact CD2-CD2 4.43Å; L280-F338 HydrophobicContact CD2-CG 4.38Å; L280-F338 HydrophobicContact CG-CE2 4.49Å; I334-F338 WeakPolarHBondContact O-CB 3.17Å; I334-F338 PolarHBondContact O-N 3.48Å; M335-F338 HydrophobicContact CE-CD1 4.3Å; M335-F338 PolarHBondContact O-N 2.73Å; F338-R340 PolarHBondContact O-N 3.49Å; F338-F341 HydrophobicContact CD2-CD1 4.43Å; F338-F341 WeakPolarHBondContact O-CB 3.02Å; F338-F341 PolarHBondContact O-N 2.75Å; F338-I342 HydrophobicContact CD1-CG2 4.47Å; F338-I342 HydrophobicContact CE1-CB 4.27Å; F338-I342 HydrophobicContact CE1-CG2 4Å; F338-I342 HydrophobicContact CE2-CB 4.08Å; F338-I342 HydrophobicContact CE2-CD1 4.4Å; F338-I342 HydrophobicContact CE2-CG1 4.47Å; F338-I342 HydrophobicContact CZ-CB 3.85Å; F338-I342 HydrophobicContact CZ-CD1 4.25Å; F338-I342 HydrophobicContact CZ-CG1 4.01Å; F338-I342 HydrophobicContact CZ-CG2 4.09Å; F338-I342 WeakPolarHBondContact O-CG2 3.19Å; F338-I342 PolarHBondContact O-N 2.98Å; F338-T361 HydrophobicContact CE2-CG2 4Å; F338-T361 HydrophobicContact CZ-CG2 4.29Å; F338-L415 HydrophobicContact CE1-CD1 4.5Å; F338-L415 HydrophobicContact CE1-CD2 4.38Å |
| 339 | S | 86.7 | Confident | 77.6 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 178.6 | -174 | 0 | 0 | 0 | 0 | 112 | M335 N336 R337 F341 I342 V343 | M335-S339 WeakPolarHBondContact O-CB 3.33Å; M335-S339 PolarHBondContact O-N 2.72Å; N336-S339 PolarHBondContact O-N 2.78Å; R337-S339 VanDerWaalsContact C-N 3.34Å; R337-S339 PolarHBondContact O-N 3.07Å; S339-F341 PolarHBondContact O-N 3.08Å; S339-I342 WeakPolarHBondContact O-CG2 3.26Å; S339-I342 PolarHBondContact O-N 3.22Å; S339-V343 WeakPolarHBondContact O-CB 3.26Å; S339-V343 VanDerWaalsContact O-CG2 3.22Å; S339-V343 WeakPolarHBondContact O-CG2 3.46Å; S339-V343 PolarHBondContact O-N 2.94Å |
| 340 | R | 84.2 | Confident | 80.1 | Confident | 157 Ų | 157 | 33.3 Ų | 33.3 | 59% | 0.592 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -61.6 | -45.6 | 174.4 | -69.4 | 176.4 | -179.8 | -179.4 | -0.6 | 112 | N336 R337 F338 Y344 | N336-R340 WeakPolarHBondContact O-CG 3.35Å; N336-R340 PolarHBondContact O-N 3.42Å; R337-R340 PolarHBondContact O-N 2.79Å; F338-R340 PolarHBondContact O-N 3.49Å; R340-Y344 PolarHBondContact O-N 3.47Å; R340-Y344 VanDerWaalsContact O-N 3.13Å |
| 341 | F | 87.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 179.2 | 172.9 | -103.2 | 0 | 0 | 0 | 112.5 | L231 P268 M273 V276 R337 F338 S339 Y344 C345 | L231-F341 HydrophobicContact CD2-CD1 4.43Å; P268-F341 HydrophobicContact CB-CE2 3.84Å; P268-F341 HydrophobicContact CB-CZ 3.94Å; P268-F341 HydrophobicContact CG-CE2 4.32Å; M273-F341 HydrophobicContact CE-CE1 4.03Å; M273-F341 HydrophobicContact SD-CE1 3.37Å; M273-F341 WeakPolarHBondContact SD-CE1 3.34Å; M273-F341 HydrophobicContact SD-CZ 3.43Å; M273-F341 WeakPolarHBondContact SD-CZ 3.47Å; V276-F341 HydrophobicContact CB-CE1 4.48Å; V276-F341 HydrophobicContact CG1-CE1 4.2Å; V276-F341 HydrophobicContact CG2-CE1 4.04Å; V276-F341 HydrophobicContact CG2-CZ 4.34Å; R337-F341 VanDerWaalsContact O-CB 3.3Å; R337-F341 WeakPolarHBondContact O-CB 3.49Å; R337-F341 PolarHBondContact O-N 2.83Å; F338-F341 HydrophobicContact CD2-CD1 4.43Å; F338-F341 WeakPolarHBondContact O-CB 3.02Å; F338-F341 PolarHBondContact O-N 2.75Å; S339-F341 PolarHBondContact O-N 3.08Å; F341-Y344 PolarHBondContact O-N 3Å; F341-C345 PolarHBondContact O-N 3.39Å; F341-C345 VanDerWaalsContact O-N 3.1Å; F341-C345 PolarHBondContact O-SG 3.18Å |
| 342 | I | 91.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.7 | -36.4 | -177.9 | -164.1 | 68.2 | 0 | 0 | 0 | 111.5 | M273 F338 S339 Y344 C345 F346 V358 T361 W362 L415 L419 | M273-I342 HydrophobicContact CE-CD1 3.7Å; F338-I342 HydrophobicContact CD1-CG2 4.47Å; F338-I342 HydrophobicContact CE1-CB 4.27Å; F338-I342 HydrophobicContact CE1-CG2 4Å; F338-I342 HydrophobicContact CE2-CB 4.08Å; F338-I342 HydrophobicContact CE2-CD1 4.4Å; F338-I342 HydrophobicContact CE2-CG1 4.47Å; F338-I342 HydrophobicContact CZ-CB 3.85Å; F338-I342 HydrophobicContact CZ-CD1 4.25Å; F338-I342 HydrophobicContact CZ-CG1 4.01Å; F338-I342 HydrophobicContact CZ-CG2 4.09Å; F338-I342 WeakPolarHBondContact O-CG2 3.19Å; F338-I342 PolarHBondContact O-N 2.98Å; S339-I342 WeakPolarHBondContact O-CG2 3.26Å; S339-I342 PolarHBondContact O-N 3.22Å; I342-Y344 VanDerWaalsContact C-N 3.32Å; I342-Y344 PolarHBondContact O-N 3.39Å; I342-C345 HydrophobicContact CD1-CB 4.5Å; I342-C345 WeakPolarHBondContact O-CB 3.24Å; I342-C345 PolarHBondContact O-N 3.27Å; I342-C345 VanDerWaalsContact O-N 3.16Å; I342-F346 HydrophobicContact CD1-CD2 4.37Å; I342-F346 HydrophobicContact CD1-CE2 4.11Å; I342-F346 HydrophobicContact CG1-CD2 4.02Å; I342-F346 HydrophobicContact CG1-CE2 3.86Å; I342-F346 VanDerWaalsContact O-CD2 3.3Å; I342-F346 WeakPolarHBondContact O-CD2 3.33Å; I342-F346 PolarHBondContact O-N 3.2Å; I342-V358 HydrophobicContact CD1-CG1 3.85Å; I342-T361 HydrophobicContact CD1-CG2 4.45Å; I342-W362 HydrophobicContact CD1-CB 4.42Å; I342-W362 HydrophobicContact CG1-CB 4.22Å; I342-L415 HydrophobicContact CG2-CD2 4.09Å; I342-L419 HydrophobicContact CG1-CD1 4.31Å; I342-L419 HydrophobicContact CG2-CD1 3.55Å; I342-L419 HydrophobicContact CG2-CD2 4.21Å |
| 343 | V | 89.3 | Confident | 86.3 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 13% | 0.127 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 173.3 | 167 | 0 | 0 | 0 | 0 | 110.7 | I242 S339 C345 F346 Q347 L419 L422 | I242-V343 HydrophobicContact CD1-CG1 3.92Å; I242-V343 HydrophobicContact CD1-CG2 3.95Å; I242-V343 HydrophobicContact CG1-CG1 3.94Å; S339-V343 WeakPolarHBondContact O-CB 3.26Å; S339-V343 VanDerWaalsContact O-CG2 3.22Å; S339-V343 WeakPolarHBondContact O-CG2 3.46Å; S339-V343 PolarHBondContact O-N 2.94Å; V343-C345 VanDerWaalsContact C-N 3.32Å; V343-C345 PolarHBondContact O-N 2.85Å; V343-F346 PolarHBondContact O-N 3.37Å; V343-F346 VanDerWaalsContact O-N 3.13Å; V343-Q347 WeakPolarHBondContact O-CG 3.4Å; V343-Q347 PolarHBondContact O-N 3.27Å; V343-L419 HydrophobicContact CB-CD2 4.35Å; V343-L419 HydrophobicContact CG2-CD2 3.68Å; V343-L419 HydrophobicContact CG2-CG 4.34Å; V343-L422 HydrophobicContact CG1-CD1 4.42Å |
| 344 | Y | 86.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 174.8 | 175.6 | -98 | 0 | 0 | 0 | 111.8 | W233 P268 R340 F341 I342 F346 Q347 H348 | W233-Y344 HydrophobicContact CD2-CD1 4.25Å; W233-Y344 HydrophobicContact CD2-CD2 4.39Å; W233-Y344 HydrophobicContact CD2-CE1 4.47Å; W233-Y344 HydrophobicContact CD2-CG 4.19Å; W233-Y344 AromaticContact CE2-CD2 3.91Å; W233-Y344 AromaticContact CE2-CG 3.73Å; W233-Y344 HydrophobicContact CE3-CD1 4.26Å; W233-Y344 HydrophobicContact CE3-CD2 4.14Å; W233-Y344 HydrophobicContact CE3-CE1 4.05Å; W233-Y344 AromaticContact CE3-CE2 3.92Å; W233-Y344 HydrophobicContact CE3-CE2 3.92Å; W233-Y344 HydrophobicContact CE3-CG 4.28Å; W233-Y344 AromaticContact CE3-CZ 3.85Å; W233-Y344 HydrophobicContact CH2-CD1 4.4Å; W233-Y344 AromaticContact CH2-CD2 2.94Å; W233-Y344 HydrophobicContact CH2-CD2 2.94Å; W233-Y344 HydrophobicContact CH2-CE1 4.5Å; W233-Y344 AromaticContact CH2-CE2 3.08Å; W233-Y344 HydrophobicContact CH2-CE2 3.08Å; W233-Y344 AromaticContact CH2-CG 3.66Å; W233-Y344 HydrophobicContact CH2-CG 3.66Å; W233-Y344 AromaticContact CH2-CZ 3.89Å; W233-Y344 HydrophobicContact CZ2-CD1 4.29Å; W233-Y344 AromaticContact CZ2-CD2 3.17Å; W233-Y344 HydrophobicContact CZ2-CD2 3.17Å; W233-Y344 AromaticContact CZ2-CE2 3.81Å; W233-Y344 HydrophobicContact CZ2-CE2 3.81Å; W233-Y344 AromaticContact CZ2-CG 3.44Å; W233-Y344 HydrophobicContact CZ2-CG 3.44Å; W233-Y344 VanDerWaalsContact CZ2-CG 3.44Å; W233-Y344 HydrophobicContact CZ3-CD1 4.35Å; W233-Y344 AromaticContact CZ3-CD2 3.47Å; W233-Y344 HydrophobicContact CZ3-CD2 3.47Å; W233-Y344 VanDerWaalsContact CZ3-CD2 3.47Å; W233-Y344 HydrophobicContact CZ3-CE1 4.09Å; W233-Y344 AromaticContact CZ3-CE2 3.12Å; W233-Y344 HydrophobicContact CZ3-CE2 3.12Å; W233-Y344 HydrophobicContact CZ3-CG 4.06Å; W233-Y344 AromaticContact CZ3-CZ 3.45Å; W233-Y344 VanDerWaalsContact CZ3-CZ 3.45Å; P268-Y344 HydrophobicContact CG-CD1 4.33Å; P268-Y344 HydrophobicContact CG-CE1 4.21Å; R340-Y344 PolarHBondContact O-N 3.47Å; R340-Y344 VanDerWaalsContact O-N 3.13Å; F341-Y344 PolarHBondContact O-N 3Å; I342-Y344 VanDerWaalsContact C-N 3.32Å; I342-Y344 PolarHBondContact O-N 3.39Å; Y344-F346 VanDerWaalsContact C-N 3.32Å; Y344-F346 PolarHBondContact O-N 2.8Å; Y344-Q347 PolarHBondContact O-N 3.4Å; Y344-H348 AromaticContact CD2-CD2 3.12Å; Y344-H348 WeakPolarHBondContact CD2-CD2 3.48Å; Y344-H348 AromaticContact CD2-NE2 3.71Å; Y344-H348 HydrophobicContact CE1-CB 4.33Å; Y344-H348 HydrophobicContact CE2-CB 4.11Å; Y344-H348 AromaticContact CE2-CD2 3.11Å; Y344-H348 WeakPolarHBondContact CE2-CD2 3.36Å; Y344-H348 AromaticContact CE2-CG 3.61Å; Y344-H348 AromaticContact CE2-NE2 3.64Å; Y344-H348 AromaticContact CG-CD2 3.94Å; Y344-H348 AromaticContact CZ-CD2 3.91Å; Y344-H348 PolarHBondContact O-CD2 2.83Å; Y344-H348 PolarHBondContact O-N 2.8Å |
| 345 | C | 91 | Very high | 87.7 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 175.8 | -63.8 | 0 | 0 | 0 | 0 | 111 | F341 I342 V343 Q347 H348 W349 V358 | F341-C345 PolarHBondContact O-N 3.39Å; F341-C345 VanDerWaalsContact O-N 3.1Å; F341-C345 PolarHBondContact O-SG 3.18Å; I342-C345 HydrophobicContact CD1-CB 4.5Å; I342-C345 WeakPolarHBondContact O-CB 3.24Å; I342-C345 PolarHBondContact O-N 3.27Å; I342-C345 VanDerWaalsContact O-N 3.16Å; V343-C345 VanDerWaalsContact C-N 3.32Å; V343-C345 PolarHBondContact O-N 2.85Å; C345-Q347 VanDerWaalsContact C-N 3.28Å; C345-Q347 PolarHBondContact O-N 2.74Å; C345-H348 PolarHBondContact O-N 3.18Å; C345-W349 HydrophobicContact CB-CE3 4.31Å; C345-W349 WeakPolarHBondContact O-CB 3.33Å; C345-W349 PolarHBondContact O-N 3.03Å; C345-V358 HydrophobicContact CB-CG1 3.71Å; C345-V358 HydrophobicContact CB-CG2 4.33Å |
| 346 | F | 91.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -35.4 | 178.3 | -89.9 | -111.4 | 0 | 0 | 0 | 113.5 | I342 V343 Y344 F355 V358 W362 L419 L422 F423 R426 | I342-F346 HydrophobicContact CD1-CD2 4.37Å; I342-F346 HydrophobicContact CD1-CE2 4.11Å; I342-F346 HydrophobicContact CG1-CD2 4.02Å; I342-F346 HydrophobicContact CG1-CE2 3.86Å; I342-F346 VanDerWaalsContact O-CD2 3.3Å; I342-F346 WeakPolarHBondContact O-CD2 3.33Å; I342-F346 PolarHBondContact O-N 3.2Å; V343-F346 PolarHBondContact O-N 3.37Å; V343-F346 VanDerWaalsContact O-N 3.13Å; Y344-F346 VanDerWaalsContact C-N 3.32Å; Y344-F346 PolarHBondContact O-N 2.8Å; F346-F355 HydrophobicContact CD1-CE2 4.49Å; F346-F355 AromaticContact CD1-CZ 3.97Å; F346-F355 HydrophobicContact CD1-CZ 3.97Å; F346-F355 HydrophobicContact CD2-CE2 4.49Å; F346-F355 HydrophobicContact CD2-CZ 4.48Å; F346-F355 AromaticContact CE1-CZ 3.77Å; F346-F355 HydrophobicContact CE1-CZ 3.77Å; F346-F355 HydrophobicContact CE2-CZ 4.33Å; F346-F355 HydrophobicContact CG-CE2 4.44Å; F346-F355 HydrophobicContact CG-CZ 4.33Å; F346-F355 AromaticContact CZ-CZ 3.98Å; F346-F355 HydrophobicContact CZ-CZ 3.98Å; F346-V358 HydrophobicContact CD2-CG1 3.81Å; F346-V358 HydrophobicContact CE2-CG1 3.72Å; F346-W362 HydrophobicContact CE1-CE3 4.4Å; F346-W362 HydrophobicContact CE2-CB 3.78Å; F346-W362 HydrophobicContact CE2-CG 4.12Å; F346-W362 HydrophobicContact CZ-CB 3.83Å; F346-W362 AromaticContact CZ-CD2 3.8Å; F346-W362 HydrophobicContact CZ-CD2 3.8Å; F346-W362 AromaticContact CZ-CE3 3.79Å; F346-W362 HydrophobicContact CZ-CE3 3.79Å; F346-W362 AromaticContact CZ-CG 3.85Å; F346-W362 HydrophobicContact CZ-CG 3.85Å; F346-L419 HydrophobicContact CB-CD2 4.16Å; F346-L419 HydrophobicContact CD1-CD2 4.32Å; F346-L419 HydrophobicContact CD2-CD2 3.83Å; F346-L419 HydrophobicContact CE2-CD2 4.28Å; F346-L419 HydrophobicContact CG-CD2 3.84Å; F346-L422 HydrophobicContact CB-CB 4.14Å; F346-L422 HydrophobicContact CB-CD1 3.9Å; F346-L422 HydrophobicContact CD1-CB 3.95Å; F346-L422 HydrophobicContact CG-CB 4.49Å; F346-F423 HydrophobicContact CE1-CB 4.01Å; F346-R426 PolarHBondContact O-NH2 2.94Å |
| 347 | Q | 88.3 | Confident | 88.6 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 20% | 0.201 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -78.2 | -39.2 | -179.5 | -70 | 173.7 | -30.6 | 0 | 0 | 113 | L255 V343 Y344 C345 L422 | L255-Q347 WeakPolarHBondContact CD2-O 3.18Å; V343-Q347 WeakPolarHBondContact O-CG 3.4Å; V343-Q347 PolarHBondContact O-N 3.27Å; Y344-Q347 PolarHBondContact O-N 3.4Å; C345-Q347 VanDerWaalsContact C-N 3.28Å; C345-Q347 PolarHBondContact O-N 2.74Å; Q347-L422 HydrophobicContact CG-CD1 4.12Å; Q347-L422 HydrophobicContact CG-CD2 4.28Å |
| 348 | H | 86.2 | Confident | 89.3 | Confident | 42 Ų | 42 | 33.3 Ų | 33.3 | 19% | 0.194 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -111.8 | -10 | -167.8 | -63.1 | -79.2 | 0 | 0 | 0 | 114.8 | Y344 C345 | Y344-H348 AromaticContact CD2-CD2 3.12Å; Y344-H348 WeakPolarHBondContact CD2-CD2 3.48Å; Y344-H348 AromaticContact CD2-NE2 3.71Å; Y344-H348 HydrophobicContact CE1-CB 4.33Å; Y344-H348 HydrophobicContact CE2-CB 4.11Å; Y344-H348 AromaticContact CE2-CD2 3.11Å; Y344-H348 WeakPolarHBondContact CE2-CD2 3.36Å; Y344-H348 AromaticContact CE2-CG 3.61Å; Y344-H348 AromaticContact CE2-NE2 3.64Å; Y344-H348 AromaticContact CG-CD2 3.94Å; Y344-H348 AromaticContact CZ-CD2 3.91Å; Y344-H348 PolarHBondContact O-CD2 2.83Å; Y344-H348 PolarHBondContact O-N 2.8Å; C345-H348 PolarHBondContact O-N 3.18Å |
| 349 | W | 88.9 | Confident | 89.6 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 8% | 0.08 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -69.1 | 139 | 179.8 | -157.4 | -83.4 | 0 | 0 | 0 | 111.7 | P268 V270 M273 C345 S354 F355 V358 R426 | P268-W349 HydrophobicContact CB-CZ3 4.1Å; P268-W349 HydrophobicContact CG-CE3 4.33Å; P268-W349 HydrophobicContact CG-CZ3 3.89Å; P268-W349 WeakPolarHBondContact O-CH2 3.36Å; P268-W349 VanDerWaalsContact O-CZ3 3.28Å; P268-W349 WeakPolarHBondContact O-CZ3 3.49Å; V270-W349 HydrophobicContact CG2-CH2 4.39Å; V270-W349 HydrophobicContact CG2-CZ2 3.84Å; M273-W349 HydrophobicContact CG-CH2 3.72Å; M273-W349 HydrophobicContact CG-CZ3 3.77Å; M273-W349 HydrophobicContact SD-CZ3 4.46Å; C345-W349 HydrophobicContact CB-CE3 4.31Å; C345-W349 WeakPolarHBondContact O-CB 3.33Å; C345-W349 PolarHBondContact O-N 3.03Å; W349-S354 PolarHBondContact NE1-OG 3.28Å; W349-F355 HydrophobicContact CB-CD2 4.01Å; W349-F355 AromaticContact CD1-CD2 3.87Å; W349-F355 HydrophobicContact CG-CD2 4.05Å; W349-V358 HydrophobicContact CD2-CG2 3.43Å; W349-V358 VanDerWaalsContact CD2-CG2 3.43Å; W349-V358 HydrophobicContact CE3-CG2 3.56Å; W349-V358 HydrophobicContact CG-CG2 3.89Å; W349-V358 HydrophobicContact CH2-CG2 4.15Å; W349-V358 HydrophobicContact CZ2-CG2 4.06Å; W349-V358 HydrophobicContact CZ3-CG2 3.91Å; W349-R426 PolarHBondContact O-NH1 2.78Å; W349-R426 VanDerWaalsContact O-NH1 3.15Å; W349-R426 PolarHBondContact O-NH2 3.45Å |
| 350 | P | 89.3 | Confident | 89.9 | Confident | 68 Ų | 68 | 33.1 Ų | 33.1 | 44% | 0.442 | 16% | 0.161 | S | C | . | . | trans | -51 | 157.4 | 176.7 | -28.3 | 34.9 | 0 | 0 | 0 | 114.4 | D352 R426 | P350-D352 PolarHBondContact O-N 3.48Å; P350-R426 PolarHBondContact O-NH1 2.99Å | ||
| 351 | F | 88.2 | Confident | 90.5 | Very high | 98 Ų | 98 | 25.6 Ų | 25.6 | 43% | 0.43 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -81.2 | 17.1 | 175.4 | -70.5 | -84.8 | 0 | 0 | 0 | 113.4 | L255 R426 K429 I430 | L255-F351 HydrophobicContact CD1-CZ 4.44Å; F351-R426 HydrophobicContact CD1-CG 3.96Å; F351-R426 HydrophobicContact CE1-CB 4.33Å; F351-R426 HydrophobicContact CE1-CG 3.86Å; F351-K429 HydrophobicContact CD1-CB 4.26Å; F351-K429 HydrophobicContact CE1-CB 3.77Å; F351-K429 HydrophobicContact CE1-CD 4.01Å; F351-K429 HydrophobicContact CE1-CG 4.49Å; F351-K429 HydrophobicContact CZ-CB 4.33Å; F351-K429 HydrophobicContact CZ-CD 3.83Å; F351-I430 HydrophobicContact CB-CG2 4.4Å; F351-I430 HydrophobicContact CD1-CG2 3.78Å |
| 352 | D | 86.9 | Confident | 90.9 | Very high | 78 Ų | 78 | 25.6 Ų | 25.6 | 42% | 0.417 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -87 | -179.8 | 179.7 | 69.8 | 8.6 | 0 | 0 | 0 | 112 | P350 S354 F355 | P350-D352 PolarHBondContact O-N 3.48Å; D352-S354 PolarHBondContact O-N 3.2Å; D352-S354 VanDerWaalsContact OD1-CB 3.3Å; D352-S354 WeakPolarHBondContact OD1-CB 3.49Å; D352-S354 PolarHBondContact OD1-N 3.41Å; D352-S354 PolarHBondContact OD1-OG 3.27Å; D352-S354 PolarHBondContact OD2-OG 3.01Å; D352-F355 WeakPolarHBondContact O-CB 3.26Å; D352-F355 PolarHBondContact O-N 3.41Å |
| 353 | L | 89.2 | Confident | 91.1 | Very high | 58 Ų | 58 | 25.7 Ų | 25.7 | 30% | 0.304 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.5 | -178.9 | -63.8 | 174.2 | 0 | 0 | 0 | 113.6 | F355 E356 V434 R436 N437 | L353-F355 PolarHBondContact O-N 2.8Å; L353-E356 WeakPolarHBondContact O-CB 3.47Å; L353-E356 PolarHBondContact O-N 3.02Å; L353-V434 HydrophobicContact CD2-CG1 4.24Å; L353-R436 HydrophobicContact CD2-CB 3.59Å; L353-N437 WeakPolarHBondContact CD2-OD1 3.35Å |
| 354 | S | 88.1 | Confident | 91.2 | Very high | 32 Ų | 32 | 25.1 Ų | 25.1 | 22% | 0.224 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -21.4 | 177.5 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | W349 D352 E356 V357 | W349-S354 PolarHBondContact NE1-OG 3.28Å; D352-S354 PolarHBondContact O-N 3.2Å; D352-S354 VanDerWaalsContact OD1-CB 3.3Å; D352-S354 WeakPolarHBondContact OD1-CB 3.49Å; D352-S354 PolarHBondContact OD1-N 3.41Å; D352-S354 PolarHBondContact OD1-OG 3.27Å; D352-S354 PolarHBondContact OD2-OG 3.01Å; S354-E356 PolarHBondContact O-N 3.08Å; S354-E356 VanDerWaalsContact O-N 3.1Å; S354-V357 PolarHBondContact O-N 3.08Å; S354-V357 VanDerWaalsContact O-N 3.15Å |
| 355 | F | 93.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.1 | -22.4 | 172.9 | -175 | -103.2 | 0 | 0 | 0 | 113.2 | F346 W349 D352 L353 V357 V358 L359 F423 R426 M440 | F346-F355 HydrophobicContact CD1-CE2 4.49Å; F346-F355 AromaticContact CD1-CZ 3.97Å; F346-F355 HydrophobicContact CD1-CZ 3.97Å; F346-F355 HydrophobicContact CD2-CE2 4.49Å; F346-F355 HydrophobicContact CD2-CZ 4.48Å; F346-F355 AromaticContact CE1-CZ 3.77Å; F346-F355 HydrophobicContact CE1-CZ 3.77Å; F346-F355 HydrophobicContact CE2-CZ 4.33Å; F346-F355 HydrophobicContact CG-CE2 4.44Å; F346-F355 HydrophobicContact CG-CZ 4.33Å; F346-F355 AromaticContact CZ-CZ 3.98Å; F346-F355 HydrophobicContact CZ-CZ 3.98Å; W349-F355 HydrophobicContact CB-CD2 4.01Å; W349-F355 AromaticContact CD1-CD2 3.87Å; W349-F355 HydrophobicContact CG-CD2 4.05Å; D352-F355 WeakPolarHBondContact O-CB 3.26Å; D352-F355 PolarHBondContact O-N 3.41Å; L353-F355 PolarHBondContact O-N 2.8Å; F355-V357 PolarHBondContact O-N 3.28Å; F355-V357 VanDerWaalsContact O-N 3.16Å; F355-V358 HydrophobicContact CD2-CB 3.91Å; F355-V358 HydrophobicContact CD2-CG1 4.22Å; F355-V358 HydrophobicContact CD2-CG2 4.29Å; F355-V358 HydrophobicContact CE2-CB 3.94Å; F355-V358 HydrophobicContact CE2-CG1 3.76Å; F355-V358 HydrophobicContact CZ-CG1 4.41Å; F355-V358 WeakPolarHBondContact O-CA 3.34Å; F355-V358 WeakPolarHBondContact O-CB 3.46Å; F355-V358 PolarHBondContact O-N 2.69Å; F355-L359 HydrophobicContact CD1-CB 4.35Å; F355-L359 HydrophobicContact CE1-CB 4.09Å; F355-L359 HydrophobicContact CE1-CD1 4.16Å; F355-L359 PolarHBondContact O-N 2.86Å; F355-F423 HydrophobicContact CE1-CD2 4.21Å; F355-F423 HydrophobicContact CE1-CE2 4.42Å; F355-R426 VanDerWaalsContact CE1-CD 3.42Å; F355-M440 HydrophobicContact CD1-SD 3.98Å |
| 356 | E | 91.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.8 | -34.3 | 175.9 | -173 | 172.6 | -173.4 | 0 | 0 | 112.1 | L353 S354 L359 E360 R436 H439 M440 | L353-E356 WeakPolarHBondContact O-CB 3.47Å; L353-E356 PolarHBondContact O-N 3.02Å; S354-E356 PolarHBondContact O-N 3.08Å; S354-E356 VanDerWaalsContact O-N 3.1Å; E356-L359 PolarHBondContact O-N 3.33Å; E356-E360 HydrophobicContact CG-CG 4.46Å; E356-E360 WeakPolarHBondContact O-CB 3.36Å; E356-E360 WeakPolarHBondContact O-CG 3.41Å; E356-E360 PolarHBondContact O-N 3.47Å; E356-R436 IonicContact OE2-CZ 2.6Å; E356-R436 IonicContact OE2-NE 2.79Å; E356-R436 PolarHBondContact OE2-NE 2.88Å; E356-R436 IonicContact OE2-NH2 3.77Å; E356-R436 PolarHBondContact OE2-NH2 3.46Å; E356-H439 IonicContact OE1-ND1 2.66Å; E356-M440 HydrophobicContact CB-CG 4.41Å; E356-M440 HydrophobicContact CB-SD 4Å; E356-M440 HydrophobicContact CG-CG 4.38Å |
| 357 | V | 91.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 12% | 0.115 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.4 | -38.8 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | L147 V270 M273 S354 F355 T361 | L147-V357 HydrophobicContact CD2-CG2 4.28Å; V270-V357 HydrophobicContact CG1-CB 4.24Å; V270-V357 HydrophobicContact CG1-CG1 4.34Å; V270-V357 HydrophobicContact CG1-CG2 3.76Å; M273-V357 HydrophobicContact CB-CG1 3.68Å; S354-V357 PolarHBondContact O-N 3.08Å; S354-V357 VanDerWaalsContact O-N 3.15Å; F355-V357 PolarHBondContact O-N 3.28Å; F355-V357 VanDerWaalsContact O-N 3.16Å; V357-T361 WeakPolarHBondContact O-CB 3.45Å; V357-T361 PolarHBondContact O-N 3.5Å; V357-T361 PolarHBondContact O-OG1 3Å |
| 358 | V | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 173.7 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | M273 I342 C345 F346 W349 F355 T361 W362 | M273-V358 HydrophobicContact CE-CB 4.26Å; M273-V358 HydrophobicContact CE-CG1 4.21Å; M273-V358 HydrophobicContact CE-CG2 4.11Å; M273-V358 HydrophobicContact CG-CG2 4.15Å; I342-V358 HydrophobicContact CD1-CG1 3.85Å; C345-V358 HydrophobicContact CB-CG1 3.71Å; C345-V358 HydrophobicContact CB-CG2 4.33Å; F346-V358 HydrophobicContact CD2-CG1 3.81Å; F346-V358 HydrophobicContact CE2-CG1 3.72Å; W349-V358 HydrophobicContact CD2-CG2 3.43Å; W349-V358 VanDerWaalsContact CD2-CG2 3.43Å; W349-V358 HydrophobicContact CE3-CG2 3.56Å; W349-V358 HydrophobicContact CG-CG2 3.89Å; W349-V358 HydrophobicContact CH2-CG2 4.15Å; W349-V358 HydrophobicContact CZ2-CG2 4.06Å; W349-V358 HydrophobicContact CZ3-CG2 3.91Å; F355-V358 HydrophobicContact CD2-CB 3.91Å; F355-V358 HydrophobicContact CD2-CG1 4.22Å; F355-V358 HydrophobicContact CD2-CG2 4.29Å; F355-V358 HydrophobicContact CE2-CB 3.94Å; F355-V358 HydrophobicContact CE2-CG1 3.76Å; F355-V358 HydrophobicContact CZ-CG1 4.41Å; F355-V358 WeakPolarHBondContact O-CA 3.34Å; F355-V358 WeakPolarHBondContact O-CB 3.46Å; F355-V358 PolarHBondContact O-N 2.69Å; V358-T361 WeakPolarHBondContact O-CB 2.95Å; V358-T361 PolarHBondContact O-N 2.91Å; V358-W362 PolarHBondContact O-N 2.93Å |
| 359 | L | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59 | -51.5 | 178.6 | -175.1 | 74.3 | 0 | 0 | 0 | 111.6 | F355 E356 T361 W362 L363 F423 M440 V444 | F355-L359 HydrophobicContact CD1-CB 4.35Å; F355-L359 HydrophobicContact CE1-CB 4.09Å; F355-L359 HydrophobicContact CE1-CD1 4.16Å; F355-L359 PolarHBondContact O-N 2.86Å; E356-L359 PolarHBondContact O-N 3.33Å; L359-T361 PolarHBondContact O-N 3.35Å; L359-W362 HydrophobicContact CD1-CE3 3.78Å; L359-W362 HydrophobicContact CD1-CZ3 3.95Å; L359-W362 PolarHBondContact O-N 3.4Å; L359-W362 VanDerWaalsContact O-N 3.17Å; L359-L363 HydrophobicContact CG-CD1 4.22Å; L359-L363 HydrophobicContact CG-CG 4.44Å; L359-L363 WeakPolarHBondContact O-CG 3.44Å; L359-L363 PolarHBondContact O-N 3.41Å; L359-F423 HydrophobicContact CD1-CD2 3.64Å; L359-F423 HydrophobicContact CD1-CE2 3.56Å; L359-F423 HydrophobicContact CD1-CZ 4.39Å; L359-F423 HydrophobicContact CD2-CE2 4.37Å; L359-M440 HydrophobicContact CD2-CB 3.54Å; L359-M440 HydrophobicContact CD2-CG 3.61Å; L359-M440 HydrophobicContact CD2-SD 4.07Å; L359-V444 HydrophobicContact CD1-CG2 3.66Å; L359-V444 HydrophobicContact CD2-CG2 4.25Å; L359-V444 HydrophobicContact CG-CG2 4.33Å |
| 360 | E | 93.8 | Very high | 90.8 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.9 | -25.7 | 180 | -71.3 | -68.7 | 146.1 | 0 | 0 | 112.2 | R277 E356 S364 R443 | R277-E360 VanDerWaalsContact NH1-CB 3.33Å; E356-E360 HydrophobicContact CG-CG 4.46Å; E356-E360 WeakPolarHBondContact O-CB 3.36Å; E356-E360 WeakPolarHBondContact O-CG 3.41Å; E356-E360 PolarHBondContact O-N 3.47Å; E360-S364 VanDerWaalsContact O-CB 3.3Å; E360-S364 WeakPolarHBondContact O-CB 3.36Å; E360-S364 PolarHBondContact O-N 3.35Å; E360-S364 PolarHBondContact O-OG 2.91Å; E360-R443 IonicContact OE1-CZ 2.84Å; E360-R443 IonicContact OE1-NE 2.67Å; E360-R443 PolarHBondContact OE1-NE 2.97Å; E360-R443 IonicContact OE1-NH2 3.15Å; E360-R443 PolarHBondContact OE1-NH2 3.21Å; E360-R443 VanDerWaalsContact OE1-NH2 3.15Å; E360-R443 IonicContact OE2-CZ 3.45Å; E360-R443 IonicContact OE2-NH2 2.76Å; E360-R443 PolarHBondContact OE2-NH2 3.39Å |
| 361 | T | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.7 | -47.2 | 171.1 | -55.5 | 0 | 0 | 0 | 0 | 111 | M273 V276 R277 L280 F338 I342 V357 V358 L359 S364 S365 | M273-T361 HydrophobicContact CE-CG2 3.84Å; M273-T361 PolarHBondContact O-OG1 3.05Å; V276-T361 HydrophobicContact CG1-CG2 4.08Å; R277-T361 HydrophobicContact CB-CG2 4.08Å; L280-T361 HydrophobicContact CD1-CG2 4.04Å; F338-T361 HydrophobicContact CE2-CG2 4Å; F338-T361 HydrophobicContact CZ-CG2 4.29Å; I342-T361 HydrophobicContact CD1-CG2 4.45Å; V357-T361 WeakPolarHBondContact O-CB 3.45Å; V357-T361 PolarHBondContact O-N 3.5Å; V357-T361 PolarHBondContact O-OG1 3Å; V358-T361 WeakPolarHBondContact O-CB 2.95Å; V358-T361 PolarHBondContact O-N 2.91Å; L359-T361 PolarHBondContact O-N 3.35Å; T361-S364 WeakPolarHBondContact O-CB 3.24Å; T361-S364 PolarHBondContact O-N 2.87Å; T361-S365 PolarHBondContact O-N 3.22Å |
| 362 | W | 97.1 | Very high | 90 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 174.2 | 168.2 | 58.4 | 0 | 0 | 0 | 112.3 | I342 F346 V358 L359 S364 S365 I366 L415 L419 F420 V444 F448 | I342-W362 HydrophobicContact CD1-CB 4.42Å; I342-W362 HydrophobicContact CG1-CB 4.22Å; F346-W362 HydrophobicContact CE1-CE3 4.4Å; F346-W362 HydrophobicContact CE2-CB 3.78Å; F346-W362 HydrophobicContact CE2-CG 4.12Å; F346-W362 HydrophobicContact CZ-CB 3.83Å; F346-W362 AromaticContact CZ-CD2 3.8Å; F346-W362 HydrophobicContact CZ-CD2 3.8Å; F346-W362 AromaticContact CZ-CE3 3.79Å; F346-W362 HydrophobicContact CZ-CE3 3.79Å; F346-W362 AromaticContact CZ-CG 3.85Å; F346-W362 HydrophobicContact CZ-CG 3.85Å; V358-W362 PolarHBondContact O-N 2.93Å; L359-W362 HydrophobicContact CD1-CE3 3.78Å; L359-W362 HydrophobicContact CD1-CZ3 3.95Å; L359-W362 PolarHBondContact O-N 3.4Å; L359-W362 VanDerWaalsContact O-N 3.17Å; W362-S364 PolarHBondContact O-N 3.23Å; W362-S365 WeakPolarHBondContact O-CA 2.99Å; W362-S365 WeakPolarHBondContact O-CB 3.43Å; W362-S365 PolarHBondContact O-N 3.15Å; W362-S365 PolarHBondContact O-OG 3.49Å; W362-I366 HydrophobicContact CZ2-CD1 4.09Å; W362-I366 PolarHBondContact O-N 2.88Å; W362-I366 VanDerWaalsContact O-N 3.07Å; W362-L415 PolarHBondContact NE1-O 2.95Å; W362-L419 HydrophobicContact CD2-CB 4.49Å; W362-L419 HydrophobicContact CG-CD1 4.17Å; W362-L419 HydrophobicContact CZ2-CB 4.21Å; W362-F420 HydrophobicContact CH2-CB 4.35Å; W362-F420 HydrophobicContact CH2-CD2 4.18Å; W362-F420 HydrophobicContact CZ2-CB 4.25Å; W362-V444 HydrophobicContact CH2-CG1 4.11Å; W362-V444 HydrophobicContact CZ3-CG1 4.09Å; W362-V444 HydrophobicContact CZ3-CG2 3.84Å; W362-F448 AromaticContact CH2-CE2 3.94Å; W362-F448 HydrophobicContact CH2-CE2 3.94Å; W362-F448 HydrophobicContact CH2-CZ 4.36Å; W362-F448 HydrophobicContact CZ2-CE2 4.3Å; W362-F448 HydrophobicContact CZ2-CZ 4.38Å |
| 363 | L | 94.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.7 | -34.4 | 177 | -67.2 | -178.1 | 0 | 0 | 0 | 111.8 | L359 S365 I366 Q367 R443 V444 V447 | L359-L363 HydrophobicContact CG-CD1 4.22Å; L359-L363 HydrophobicContact CG-CG 4.44Å; L359-L363 WeakPolarHBondContact O-CG 3.44Å; L359-L363 PolarHBondContact O-N 3.41Å; L363-S365 VanDerWaalsContact C-N 3.31Å; L363-I366 HydrophobicContact CD2-CD1 3.84Å; L363-Q367 VanDerWaalsContact O-CG 3.28Å; L363-Q367 WeakPolarHBondContact O-CG 2.96Å; L363-Q367 PolarHBondContact O-OE1 3.44Å; L363-R443 HydrophobicContact CD1-CB 4.14Å; L363-V444 HydrophobicContact CD1-CG2 4.41Å; L363-V444 HydrophobicContact CD2-CG2 4.29Å; L363-V447 HydrophobicContact CD1-CG2 4.29Å; L363-V447 HydrophobicContact CD2-CB 4.17Å; L363-V447 HydrophobicContact CD2-CG1 4.14Å; L363-V447 HydrophobicContact CD2-CG2 4.13Å |
| 364 | S | 91.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 12.8 Ų | 12.8 | 7% | 0.07 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.8 | -35.4 | 172.1 | -61.1 | 0 | 0 | 0 | 0 | 112 | E360 T361 W362 | E360-S364 VanDerWaalsContact O-CB 3.3Å; E360-S364 WeakPolarHBondContact O-CB 3.36Å; E360-S364 PolarHBondContact O-N 3.35Å; E360-S364 PolarHBondContact O-OG 2.91Å; T361-S364 WeakPolarHBondContact O-CB 3.24Å; T361-S364 PolarHBondContact O-N 2.87Å; W362-S364 PolarHBondContact O-N 3.23Å |
| 365 | S | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.4 | -32.8 | -178.5 | 79 | 0 | 0 | 0 | 0 | 113.9 | Y284 T361 W362 L363 | Y284-S365 VanDerWaalsContact CE2-O 3.28Å; Y284-S365 WeakPolarHBondContact CE2-O 3.45Å; Y284-S365 PolarHBondContact OH-O 2.65Å; T361-S365 PolarHBondContact O-N 3.22Å; W362-S365 WeakPolarHBondContact O-CA 2.99Å; W362-S365 WeakPolarHBondContact O-CB 3.43Å; W362-S365 PolarHBondContact O-N 3.15Å; W362-S365 PolarHBondContact O-OG 3.49Å; L363-S365 VanDerWaalsContact C-N 3.31Å |
| 366 | I | 91.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -87.3 | -5.7 | -177.1 | 69.6 | -179.2 | 0 | 0 | 0 | 113.3 | W362 L363 P368 W369 L415 Y416 V447 F448 | W362-I366 HydrophobicContact CZ2-CD1 4.09Å; W362-I366 PolarHBondContact O-N 2.88Å; W362-I366 VanDerWaalsContact O-N 3.07Å; L363-I366 HydrophobicContact CD2-CD1 3.84Å; I366-P368 WeakPolarHBondContact O-CD 3.49Å; I366-W369 WeakPolarHBondContact O-CH2 3.37Å; I366-W369 WeakPolarHBondContact O-CZ3 3.04Å; I366-L415 HydrophobicContact CG2-CB 4.1Å; I366-Y416 HydrophobicContact CB-CD1 4.14Å; I366-Y416 HydrophobicContact CB-CE1 3.59Å; I366-Y416 HydrophobicContact CG2-CD1 4.31Å; I366-Y416 HydrophobicContact CG2-CE1 4.13Å; I366-Y416 PolarHBondContact O-OH 3.14Å; I366-V447 HydrophobicContact CD1-CG1 3.94Å; I366-V447 HydrophobicContact CG1-CG1 4.4Å; I366-F448 HydrophobicContact CD1-CE2 4.19Å |
| 367 | Q | 89 | Confident | 83.1 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | trans | -121.8 | 55.6 | -175.4 | -53.3 | -171 | -75.9 | 0 | 0 | 113.4 | L363 W369 R370 V447 | L363-Q367 VanDerWaalsContact O-CG 3.28Å; L363-Q367 WeakPolarHBondContact O-CG 2.96Å; L363-Q367 PolarHBondContact O-OE1 3.44Å; Q367-W369 HydrophobicContact CB-CH2 4.44Å; Q367-W369 HydrophobicContact CB-CZ2 3.97Å; Q367-W369 HydrophobicContact CG-CH2 4.37Å; Q367-W369 HydrophobicContact CG-CZ2 3.89Å; Q367-W369 PolarHBondContact O-N 2.9Å; Q367-R370 HydrophobicContact CB-CG 3.99Å; Q367-R370 VanDerWaalsContact NE2-NH2 3.14Å; Q367-R370 WeakPolarHBondContact O-CB 3.46Å; Q367-R370 WeakPolarHBondContact O-CG 3.4Å; Q367-R370 PolarHBondContact O-N 3.46Å; Q367-R370 VanDerWaalsContact O-N 3.16Å; Q367-R370 VanDerWaalsContact OE1-CZ 3.28Å; Q367-V447 HydrophobicContact CG-CG1 3.87Å; Q367-V447 VanDerWaalsContact NE2-CG1 3.31Å; Q367-V447 VanDerWaalsContact OE1-CG2 3.28Å | ||
| 368 | P | 86.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -60.1 | -30.7 | -177.9 | 27.6 | -38.7 | 0 | 0 | 0 | 113.8 | Y284 F288 I366 R370 Y371 W405 F408 | Y284-P368 HydrophobicContact CD2-CB 3.81Å; Y284-P368 HydrophobicContact CE2-CB 3.96Å; Y284-P368 HydrophobicContact CG-CB 4.09Å; F288-P368 HydrophobicContact CD2-CB 3.91Å; F288-P368 HydrophobicContact CE2-CB 3.52Å; F288-P368 HydrophobicContact CE2-CG 4.43Å; F288-P368 HydrophobicContact CZ-CB 4.21Å; I366-P368 WeakPolarHBondContact O-CD 3.49Å; P368-R370 PolarHBondContact O-N 3.48Å; P368-Y371 WeakPolarHBondContact O-CD2 3.34Å; P368-Y371 PolarHBondContact O-N 2.81Å; P368-W405 HydrophobicContact CB-CH2 4.42Å; P368-W405 HydrophobicContact CB-CZ3 3.81Å; P368-W405 HydrophobicContact CG-CE3 3.98Å; P368-W405 HydrophobicContact CG-CZ3 3.57Å; P368-F408 HydrophobicContact CB-CE1 4.38Å; P368-F408 HydrophobicContact CB-CZ 4.3Å; P368-F408 HydrophobicContact CG-CD1 3.76Å; P368-F408 HydrophobicContact CG-CE1 3.53Å; P368-F408 HydrophobicContact CG-CG 4.36Å; P368-F408 HydrophobicContact CG-CZ 3.93Å |
| 369 | W | 84.7 | Confident | 78.3 | Confident | 6 Ų | 6 | 25 Ų | 25 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -57.5 | -23 | 177.6 | 53.4 | 90.7 | 0 | 0 | 0 | 113.4 | I366 Q367 Y371 A372 P375 L377 W405 Q450 F453 L456 | I366-W369 WeakPolarHBondContact O-CH2 3.37Å; I366-W369 WeakPolarHBondContact O-CZ3 3.04Å; Q367-W369 HydrophobicContact CB-CH2 4.44Å; Q367-W369 HydrophobicContact CB-CZ2 3.97Å; Q367-W369 HydrophobicContact CG-CH2 4.37Å; Q367-W369 HydrophobicContact CG-CZ2 3.89Å; Q367-W369 PolarHBondContact O-N 2.9Å; W369-Y371 PolarHBondContact O-N 2.87Å; W369-Y371 VanDerWaalsContact O-N 3.15Å; W369-A372 WeakPolarHBondContact O-CB 3.37Å; W369-A372 PolarHBondContact O-N 3.34Å; W369-A372 VanDerWaalsContact O-N 3.14Å; W369-P375 WeakPolarHBondContact O-CA 3.49Å; W369-L377 HydrophobicContact CD2-CD1 4.5Å; W369-L377 HydrophobicContact CD2-CD2 4.39Å; W369-L377 HydrophobicContact CD2-CG 4.46Å; W369-L377 HydrophobicContact CE3-CD2 4.39Å; W369-L377 HydrophobicContact CZ2-CD1 4.29Å; W369-W405 VanDerWaalsContact CA-CH2 3.49Å; W369-W405 HydrophobicContact CB-CD2 4.27Å; W369-W405 HydrophobicContact CB-CH2 3.92Å; W369-W405 HydrophobicContact CB-CZ2 3.57Å; W369-W405 HydrophobicContact CB-CZ3 4.38Å; W369-W405 HydrophobicContact CE3-CD2 4.43Å; W369-W405 HydrophobicContact CE3-CE3 4.26Å; W369-Q450 VanDerWaalsContact NE1-OE1 3.15Å; W369-F453 AromaticContact CH2-CD2 3.58Å; W369-F453 HydrophobicContact CH2-CD2 3.58Å; W369-F453 AromaticContact CH2-CE2 3.42Å; W369-F453 HydrophobicContact CH2-CE2 3.42Å; W369-F453 VanDerWaalsContact CH2-CE2 3.42Å; W369-F453 HydrophobicContact CH2-CZ 4.34Å; W369-F453 AromaticContact CZ2-CD2 3.95Å; W369-F453 HydrophobicContact CZ2-CD2 3.95Å; W369-F453 HydrophobicContact CZ2-CE2 4.12Å; W369-F453 HydrophobicContact CZ3-CE2 4.33Å; W369-L456 HydrophobicContact CZ3-CD2 4.5Å |
| 370 | R | 80 | Confident | 75.3 | Confident | 85 Ų | 85 | 31.4 Ų | 31.4 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -57.3 | -29.2 | 173.1 | -68.9 | -176 | 178 | -79.8 | 2.6 | 113 | Q367 P368 I668 | Q367-R370 HydrophobicContact CB-CG 3.99Å; Q367-R370 VanDerWaalsContact NE2-NH2 3.14Å; Q367-R370 WeakPolarHBondContact O-CB 3.46Å; Q367-R370 WeakPolarHBondContact O-CG 3.4Å; Q367-R370 PolarHBondContact O-N 3.46Å; Q367-R370 VanDerWaalsContact O-N 3.16Å; Q367-R370 VanDerWaalsContact OE1-CZ 3.28Å; P368-R370 PolarHBondContact O-N 3.48Å; R370-I668 WeakPolarHBondContact O-CD1 3.49Å |
| 371 | Y | 82.4 | Confident | 72.3 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -102.1 | -1.5 | -175.9 | -44.7 | -74.6 | 0 | 0 | 0 | 112.4 | K281 Y284 F285 P368 W369 F665 I668 | K281-Y371 HydrophobicContact CB-CD1 4.35Å; K281-Y371 HydrophobicContact CB-CE1 3.82Å; K281-Y371 HydrophobicContact CD-CE1 4.16Å; K281-Y371 HydrophobicContact CG-CE1 3.61Å; K281-Y371 WeakPolarHBondContact CG-OH 3.35Å; Y284-Y371 AromaticContact CD2-CD2 3.78Å; Y284-Y371 HydrophobicContact CD2-CD2 3.78Å; Y284-Y371 AromaticContact CD2-CE2 3.85Å; Y284-Y371 HydrophobicContact CD2-CE2 3.85Å; Y284-Y371 HydrophobicContact CG-CD2 4.24Å; F285-Y371 VanDerWaalsContact CD2-O 3.29Å; F285-Y371 WeakPolarHBondContact CD2-O 3.43Å; P368-Y371 WeakPolarHBondContact O-CD2 3.34Å; P368-Y371 PolarHBondContact O-N 2.81Å; W369-Y371 PolarHBondContact O-N 2.87Å; W369-Y371 VanDerWaalsContact O-N 3.15Å; Y371-F665 HydrophobicContact CD1-CD2 4Å; Y371-F665 AromaticContact CD1-CE2 3.96Å; Y371-F665 HydrophobicContact CD1-CE2 3.96Å; Y371-I668 HydrophobicContact CD1-CG2 4.33Å; Y371-I668 HydrophobicContact CE1-CG2 3.67Å |
| 372 | A | 78.7 | Confident | 69 | Low | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -79.1 | 165.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F288 W369 S374 W405 R664 | F288-A372 HydrophobicContact CB-CB 3.82Å; W369-A372 WeakPolarHBondContact O-CB 3.37Å; W369-A372 PolarHBondContact O-N 3.34Å; W369-A372 VanDerWaalsContact O-N 3.14Å; A372-S374 PolarHBondContact O-N 3.25Å; A372-W405 HydrophobicContact CB-CH2 3.8Å; A372-W405 HydrophobicContact CB-CZ2 3.63Å; A372-R664 PolarHBondContact O-NH2 3.35Å |
| 373 | G | 68.9 | Low | 66 | Low | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -61 | -30 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F288 R664 | F288-G373 PolarHBondContact O-N 3.16Å; G373-R664 PolarHBondContact O-NH1 3.06Å; G373-R664 PolarHBondContact O-NH2 2.93Å |
| 374 | S | 66.7 | Low | 62.7 | Low | 34 Ų | 34 | 58.4 Ų | 58.4 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -122.2 | 97.1 | 176.6 | 40.6 | 0 | 0 | 0 | 0 | 110.4 | A372 Q376 N401 | A372-S374 PolarHBondContact O-N 3.25Å; S374-Q376 PolarHBondContact O-N 3.5Å; S374-N401 PolarHBondContact OG-ND2 2.99Å |
| 375 | P | 58.8 | Low | 59.7 | Low | 51 Ų | 51 | 63.8 Ų | 63.8 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | trans | -79 | -1.6 | -171.2 | 31.2 | -36.4 | 0 | 0 | 0 | 114.6 | W369 | W369-P375 WeakPolarHBondContact O-CA 3.49Š| ||
| 376 | Q | 56.9 | Low | 56.7 | Low | 120 Ų | 120 | 70.1 Ų | 70.1 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -99.7 | 130.1 | 178.9 | -70 | -176.5 | -0.1 | 0 | 0 | 109.4 | S374 H378 | S374-Q376 PolarHBondContact O-N 3.5Å; Q376-H378 PolarHBondContact O-N 2.8Å; Q376-H378 PolarHBondContact OE1-CE1 3.3Å; Q376-H378 PolarHBondContact OE1-NE2 2.57Å |
| 377 | L | 53.6 | Low | 53.7 | Low | 22 Ų | 22 | 74.7 Ų | 74.7 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | trans | -65.9 | 80.2 | 158 | -65.9 | 163.9 | 0 | 0 | 0 | 106.2 | W369 T379 W405 F453 L456 | W369-L377 HydrophobicContact CD2-CD1 4.5Å; W369-L377 HydrophobicContact CD2-CD2 4.39Å; W369-L377 HydrophobicContact CD2-CG 4.46Å; W369-L377 HydrophobicContact CE3-CD2 4.39Å; W369-L377 HydrophobicContact CZ2-CD1 4.29Å; L377-T379 PolarHBondContact O-N 2.91Å; L377-W405 HydrophobicContact CD2-CB 4.29Å; L377-W405 HydrophobicContact CD2-CG 4.04Å; L377-F453 HydrophobicContact CD1-CB 4.2Å; L377-L456 HydrophobicContact CD2-CD2 4.06Å | ||
| 378 | H | 44.8 | Very low | 51.2 | Low | 81 Ų | 81 | 80.1 Ų | 80.1 | 38% | 0.375 | 44% | 0.438 | S | S | . | . | trans | -70.3 | 85.4 | 175.8 | -76.2 | -76.2 | 0 | 0 | 0 | 108.6 | Q376 D380 | Q376-H378 PolarHBondContact O-N 2.8Å; Q376-H378 PolarHBondContact OE1-CE1 3.3Å; Q376-H378 PolarHBondContact OE1-NE2 2.57Å; H378-D380 PolarHBondContact O-N 3.09Å | ||
| 379 | T | 39.9 | Very low | 48.5 | Very low | 52 Ų | 52 | 87.4 Ų | 87.4 | 32% | 0.319 | 48% | 0.477 | S | S | . | . | trans | -81.9 | 94.4 | 148.5 | 51.5 | 0 | 0 | 0 | 0 | 105.5 | L377 T381 Y402 | L377-T379 PolarHBondContact O-N 2.91Å; T379-T381 PolarHBondContact O-N 2.72Å; T379-Y402 HydrophobicContact CG2-CD2 4.14Å; T379-Y402 HydrophobicContact CG2-CE2 4.13Å | ||
| 380 | D | 32.6 | Very low | 46 | Very low | 133 Ų | 133 | 90.1 Ų | 90.1 | 71% | 0.711 | 50% | 0.5 | S | S | * | . | trans | -69.9 | 49.2 | 171.3 | -84 | -25.9 | 0 | 0 | 0 | 111.1 | H378 | H378-D380 PolarHBondContact O-N 3.09Š| ||
| 381 | T | 32.2 | Very low | 43.5 | Very low | 72 Ų | 72 | 91.5 Ų | 91.5 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | trans | -102.8 | 90.2 | 161.4 | 39.3 | 0 | 0 | 0 | 0 | 107.7 | T379 F383 | T379-T381 PolarHBondContact O-N 2.72Å; T381-F383 VanDerWaalsContact C-N 3.26Å; T381-F383 WeakPolarHBondContact O-CD2 3.36Å; T381-F383 PolarHBondContact O-N 3.04Å | ||
| 382 | R | 25.5 | Very low | 41.1 | Very low | 245 Ų | 245 | 97.7 Ų | 97.7 | 93% | 0.925 | 55% | 0.553 | S | S | * | * | trans | -56.3 | 105.4 | 145.8 | -68.2 | -172.9 | -153 | 172.5 | 7.3 | 105.4 | S384 | R382-S384 VanDerWaalsContact C-N 3.31Å; R382-S384 PolarHBondContact O-N 3.22Å | ||
| 383 | F | 34.3 | Very low | 38.6 | Very low | 183 Ų | 183 | 104.7 Ų | 104.7 | 80% | 0.803 | 59% | 0.59 | S | S | * | * | trans | -56 | 94 | 173.7 | -68.2 | -89.3 | 0 | 0 | 0 | 109 | T381 S385 | T381-F383 VanDerWaalsContact C-N 3.26Å; T381-F383 WeakPolarHBondContact O-CD2 3.36Å; T381-F383 PolarHBondContact O-N 3.04Å; F383-S385 PolarHBondContact O-N 2.54Å | ||
| 384 | S | 25.2 | Very low | 37 | Very low | 86 Ų | 86 | 106.6 Ų | 106.6 | 60% | 0.601 | 59% | 0.592 | S | S | * | * | trans | -64.4 | 121.9 | 148 | 55.2 | 0 | 0 | 0 | 0 | 105.2 | R382 I386 | R382-S384 VanDerWaalsContact C-N 3.31Å; R382-S384 PolarHBondContact O-N 3.22Å; S384-I386 PolarHBondContact O-N 3.25Å | ||
| 385 | S | 27.6 | Very low | 35.1 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 86% | 0.86 | 62% | 0.618 | S | S | * | * | trans | -43.4 | 101.8 | 173.3 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | F383 | F383-S385 PolarHBondContact O-N 2.54Š| ||
| 386 | I | 30.4 | Very low | 34.3 | Very low | 134 Ų | 134 | 116.5 Ų | 116.5 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | trans | -101.6 | 123.2 | 169.7 | -68.4 | 167.3 | 0 | 0 | 0 | 106.5 | S384 | S384-I386 PolarHBondContact O-N 3.25Š| ||
| 387 | S | 28.9 | Very low | 33.3 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | trans | -54.8 | 142.2 | 176 | 47.9 | 0 | 0 | 0 | 0 | 112 | D389 | S387-D389 PolarHBondContact O-N 3.36Š| ||
| 388 | S | 36.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 4.8 | -167.7 | 33.8 | 0 | 0 | 0 | 0 | 118.6 | ||
| 389 | D | 31 | Very low | 33.1 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 11.7 | -170.3 | -65.6 | -22.8 | 0 | 0 | 0 | 115.4 | S387 | S387-D389 PolarHBondContact O-N 3.36Š|
| 390 | A | 30.5 | Very low | 34 | Very low | 63 Ų | 63 | 125 Ų | 125 | 52% | 0.521 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -96.9 | 131.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L392 | A390-L392 PolarHBondContact O-N 3.31Š|
| 391 | P | 28.3 | Very low | 35.6 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 74% | 0.74 | 66% | 0.659 | S | S | * | * | trans | -58.3 | 129.8 | 175 | 22.7 | -30.3 | 0 | 0 | 0 | 109 | N393 | P391-N393 PolarHBondContact O-N 3.24Š| ||
| 392 | L | 32.2 | Very low | 37.7 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | trans | -58.6 | 77.3 | 176.4 | -80.3 | 155.7 | 0 | 0 | 0 | 110.2 | A390 L394 | A390-L392 PolarHBondContact O-N 3.31Å; L392-L394 HydrophobicContact CB-CG 4.48Å; L392-L394 HydrophobicContact CD2-CD2 4.37Å; L392-L394 PolarHBondContact O-N 2.82Å | ||
| 393 | N | 25.1 | Very low | 40.2 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 80% | 0.802 | 62% | 0.62 | S | S | * | * | trans | -70.8 | 80.5 | 157 | -90.6 | -29.7 | 0 | 0 | 0 | 106 | P391 K395 | P391-N393 PolarHBondContact O-N 3.24Å; N393-K395 PolarHBondContact O-N 3.1Å | ||
| 394 | L | 36.1 | Very low | 42.5 | Very low | 72 Ų | 72 | 104.6 Ų | 104.6 | 38% | 0.377 | 59% | 0.594 | S | S | . | * | trans | -58 | 91.7 | 163.6 | -66.9 | 166.2 | 0 | 0 | 0 | 106.1 | L392 I396 M455 N459 | L392-L394 HydrophobicContact CB-CG 4.48Å; L392-L394 HydrophobicContact CD2-CD2 4.37Å; L392-L394 PolarHBondContact O-N 2.82Å; L394-I396 PolarHBondContact O-N 3.15Å; L394-M455 HydrophobicContact CD1-CE 3.75Å; L394-M455 HydrophobicContact CD2-CE 3.45Å; L394-M455 VanDerWaalsContact CD2-CE 3.45Å; L394-M455 HydrophobicContact CG-CE 4.19Å; L394-N459 WeakPolarHBondContact CD1-OD1 3.42Å | ||
| 395 | K | 28 | Very low | 45.4 | Very low | 182 Ų | 182 | 100.7 Ų | 100.7 | 79% | 0.791 | 57% | 0.566 | S | S | * | * | trans | -56 | 99.9 | 149.5 | -78.4 | -176.7 | 175.7 | -179.2 | 0 | 103.7 | N393 D397 | N393-K395 PolarHBondContact O-N 3.1Å; K395-D397 PolarHBondContact O-N 2.51Å | ||
| 396 | I | 40.6 | Very low | 48.3 | Very low | 111 Ų | 111 | 95.8 Ų | 95.8 | 57% | 0.569 | 53% | 0.53 | S | S | * | . | trans | -57.2 | 96.4 | 163.3 | -61.9 | 168.1 | 0 | 0 | 0 | 102.6 | L394 N398 | L394-I396 PolarHBondContact O-N 3.15Å; I396-N398 PolarHBondContact O-N 3.15Å; I396-N398 VanDerWaalsContact O-N 3.08Å | ||
| 397 | D | 37 | Very low | 50.8 | Low | 87 Ų | 87 | 91.9 Ų | 91.9 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | trans | -56.5 | 123 | 168.2 | -81.6 | -28.2 | 0 | 0 | 0 | 104.8 | K395 S399 | K395-D397 PolarHBondContact O-N 2.51Å; D397-S399 PolarHBondContact O-N 3.22Å | ||
| 398 | N | 39.1 | Very low | 53.6 | Low | 158 Ų | 158 | 87.3 Ų | 87.3 | 85% | 0.845 | 48% | 0.481 | S | S | * | . | trans | -64.4 | 38.3 | -177 | -70.7 | -28.4 | 0 | 0 | 0 | 112.4 | I396 E400 | I396-N398 PolarHBondContact O-N 3.15Å; I396-N398 VanDerWaalsContact O-N 3.08Å; N398-E400 PolarHBondContact O-N 3.16Å; N398-E400 VanDerWaalsContact O-N 3.1Å | ||
| 399 | S | 54.2 | Low | 56.1 | Low | 41 Ų | 41 | 81.7 Ų | 81.7 | 29% | 0.287 | 44% | 0.442 | S | S | . | . | trans | -68.8 | 105.8 | 163.2 | 73.6 | 0 | 0 | 0 | 0 | 106.8 | D397 N401 Y402 | D397-S399 PolarHBondContact O-N 3.22Å; S399-N401 PolarHBondContact O-N 3.44Å; S399-Y402 PolarHBondContact O-N 2.87Å; S399-Y402 WeakPolarHBondContact OG-CB 3.43Å | ||
| 400 | E | 59.3 | Low | 58.7 | Low | 169 Ų | 169 | 75.2 Ų | 75.2 | 79% | 0.79 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -47.6 | -35.2 | 177 | -65.7 | 177.8 | 162.2 | 0 | 0 | 111.3 | N398 S403 E404 | N398-E400 PolarHBondContact O-N 3.16Å; N398-E400 VanDerWaalsContact O-N 3.1Å; E400-S403 PolarHBondContact O-N 2.9Å; E400-E404 PolarHBondContact O-N 3.03Å; E400-E404 VanDerWaalsContact O-N 3.12Å |
| 401 | N | 66.6 | Low | 61.2 | Low | 59 Ų | 59 | 75.2 Ų | 75.2 | 32% | 0.316 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.9 | -62.9 | -19.5 | 0 | 0 | 0 | 113.8 | S374 S399 S403 E404 W405 | S374-N401 PolarHBondContact OG-ND2 2.99Å; S399-N401 PolarHBondContact O-N 3.44Å; N401-S403 VanDerWaalsContact C-N 3.35Å; N401-E404 PolarHBondContact O-N 3.31Å; N401-W405 PolarHBondContact O-N 3.42Å; N401-W405 VanDerWaalsContact O-N 3.08Å |
| 402 | Y | 76.4 | Confident | 63.9 | Low | 24 Ų | 24 | 70 Ų | 70 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | -178.4 | 179.1 | -93.6 | 0 | 0 | 0 | 111 | T379 S399 E404 W405 L406 L456 N459 | T379-Y402 HydrophobicContact CG2-CD2 4.14Å; T379-Y402 HydrophobicContact CG2-CE2 4.13Å; S399-Y402 PolarHBondContact O-N 2.87Å; S399-Y402 WeakPolarHBondContact OG-CB 3.43Å; Y402-E404 VanDerWaalsContact C-N 3.34Å; Y402-E404 PolarHBondContact O-N 3.2Å; Y402-W405 PolarHBondContact O-N 3.34Å; Y402-L406 HydrophobicContact CE1-CD2 4.09Å; Y402-L406 VanDerWaalsContact O-CB 3.32Å; Y402-L406 WeakPolarHBondContact O-CB 3.4Å; Y402-L406 PolarHBondContact O-N 3.14Å; Y402-L456 HydrophobicContact CD2-CD1 4.5Å; Y402-L456 HydrophobicContact CE2-CD1 3.89Å; Y402-N459 PolarHBondContact OH-ND2 2.99Å |
| 403 | S | 77.6 | Confident | 66.6 | Low | 63 Ų | 63 | 64.7 Ų | 64.7 | 44% | 0.441 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | E400 N401 L406 T407 | E400-S403 PolarHBondContact O-N 2.9Å; N401-S403 VanDerWaalsContact C-N 3.35Å; S403-L406 PolarHBondContact O-N 3.46Å; S403-T407 WeakPolarHBondContact O-CB 3.4Å; S403-T407 PolarHBondContact O-N 3.08Å; S403-T407 PolarHBondContact O-OG1 2.81Å |
| 404 | E | 82.2 | Confident | 69.4 | Low | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 175.1 | -173.4 | 177.6 | -162.5 | 0 | 0 | 111.6 | F288 E400 N401 Y402 L406 T407 F408 | F288-E404 HydrophobicContact CE1-CG 4.49Å; E400-E404 PolarHBondContact O-N 3.03Å; E400-E404 VanDerWaalsContact O-N 3.12Å; N401-E404 PolarHBondContact O-N 3.31Å; Y402-E404 VanDerWaalsContact C-N 3.34Å; Y402-E404 PolarHBondContact O-N 3.2Å; E404-L406 PolarHBondContact O-N 2.66Å; E404-T407 PolarHBondContact O-N 2.9Å; E404-F408 PolarHBondContact O-N 3.18Å |
| 405 | W | 87.1 | Confident | 71.9 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.8 | -62.9 | 126.7 | 0 | 0 | 0 | 112.9 | F288 P368 W369 A372 L377 N401 Y402 T407 F408 V409 L456 | F288-W405 HydrophobicContact CB-CH2 4.04Å; F288-W405 AromaticContact CD1-CH2 3.52Å; F288-W405 HydrophobicContact CD1-CH2 3.52Å; F288-W405 AromaticContact CD1-CZ3 3.65Å; F288-W405 HydrophobicContact CD1-CZ3 3.65Å; F288-W405 HydrophobicContact CD2-CH2 4.16Å; F288-W405 HydrophobicContact CD2-CZ3 4.21Å; F288-W405 HydrophobicContact CE1-CE3 4.42Å; F288-W405 AromaticContact CE1-CH2 3.96Å; F288-W405 HydrophobicContact CE1-CH2 3.96Å; F288-W405 AromaticContact CE1-CZ3 3.56Å; F288-W405 HydrophobicContact CE1-CZ3 3.56Å; F288-W405 HydrophobicContact CE2-CZ3 4.15Å; F288-W405 AromaticContact CG-CH2 3.64Å; F288-W405 HydrophobicContact CG-CH2 3.64Å; F288-W405 AromaticContact CG-CZ3 3.98Å; F288-W405 HydrophobicContact CG-CZ3 3.98Å; F288-W405 HydrophobicContact CZ-CH2 4.46Å; F288-W405 AromaticContact CZ-CZ3 3.82Å; F288-W405 HydrophobicContact CZ-CZ3 3.82Å; P368-W405 HydrophobicContact CB-CH2 4.42Å; P368-W405 HydrophobicContact CB-CZ3 3.81Å; P368-W405 HydrophobicContact CG-CE3 3.98Å; P368-W405 HydrophobicContact CG-CZ3 3.57Å; W369-W405 VanDerWaalsContact CA-CH2 3.49Å; W369-W405 HydrophobicContact CB-CD2 4.27Å; W369-W405 HydrophobicContact CB-CH2 3.92Å; W369-W405 HydrophobicContact CB-CZ2 3.57Å; W369-W405 HydrophobicContact CB-CZ3 4.38Å; W369-W405 HydrophobicContact CE3-CD2 4.43Å; W369-W405 HydrophobicContact CE3-CE3 4.26Å; A372-W405 HydrophobicContact CB-CH2 3.8Å; A372-W405 HydrophobicContact CB-CZ2 3.63Å; L377-W405 HydrophobicContact CD2-CB 4.29Å; L377-W405 HydrophobicContact CD2-CG 4.04Å; N401-W405 PolarHBondContact O-N 3.42Å; N401-W405 VanDerWaalsContact O-N 3.08Å; Y402-W405 PolarHBondContact O-N 3.34Å; W405-T407 VanDerWaalsContact C-N 3.3Å; W405-T407 PolarHBondContact O-N 2.94Å; W405-F408 PolarHBondContact O-N 3.26Å; W405-V409 WeakPolarHBondContact O-CG2 3.44Å; W405-V409 PolarHBondContact O-N 3.28Å; W405-L456 HydrophobicContact CB-CD1 4.25Å; W405-L456 HydrophobicContact CB-CD2 4.24Å |
| 406 | L | 86.6 | Confident | 75 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | 177.1 | -173 | 67.5 | 0 | 0 | 0 | 111.2 | Y402 S403 E404 V409 A410 L456 N459 T460 I463 | Y402-L406 HydrophobicContact CE1-CD2 4.09Å; Y402-L406 VanDerWaalsContact O-CB 3.32Å; Y402-L406 WeakPolarHBondContact O-CB 3.4Å; Y402-L406 PolarHBondContact O-N 3.14Å; S403-L406 PolarHBondContact O-N 3.46Å; E404-L406 PolarHBondContact O-N 2.66Å; L406-V409 PolarHBondContact O-N 3.5Å; L406-A410 WeakPolarHBondContact O-CB 3.42Å; L406-A410 PolarHBondContact O-N 3.01Å; L406-L456 HydrophobicContact CB-CD1 4.05Å; L406-L456 HydrophobicContact CD1-CD1 3.98Å; L406-N459 HydrophobicContact CD1-CB 3.82Å; L406-T460 WeakPolarHBondContact CD1-OG1 3.31Å; L406-I463 HydrophobicContact CD1-CD1 4.16Å; L406-I463 HydrophobicContact CD2-CD1 3.45Å; L406-I463 VanDerWaalsContact CD2-CD1 3.45Å; L406-I463 HydrophobicContact CG-CD1 3.83Å |
| 407 | T | 84.4 | Confident | 77.4 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | S403 E404 W405 A410 R411 | S403-T407 WeakPolarHBondContact O-CB 3.4Å; S403-T407 PolarHBondContact O-N 3.08Å; S403-T407 PolarHBondContact O-OG1 2.81Å; E404-T407 PolarHBondContact O-N 2.9Å; W405-T407 VanDerWaalsContact C-N 3.3Å; W405-T407 PolarHBondContact O-N 2.94Å; T407-A410 PolarHBondContact O-N 3.2Å; T407-R411 WeakPolarHBondContact O-CG 3.34Å; T407-R411 PolarHBondContact O-N 3.41Å |
| 408 | F | 86.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 177.7 | -180 | -87.6 | 0 | 0 | 0 | 112.2 | Y284 F288 Y316 P368 E404 W405 A410 R411 H412 | Y284-F408 HydrophobicContact CE1-CE2 4.4Å; Y284-F408 HydrophobicContact CE1-CZ 4.2Å; F288-F408 HydrophobicContact CE2-CD2 4.42Å; F288-F408 HydrophobicContact CE2-CE2 4.29Å; F288-F408 AromaticContact CZ-CD2 3.65Å; F288-F408 HydrophobicContact CZ-CD2 3.65Å; F288-F408 AromaticContact CZ-CE2 3.95Å; F288-F408 HydrophobicContact CZ-CE2 3.95Å; F288-F408 HydrophobicContact CZ-CG 4.33Å; Y316-F408 HydrophobicContact CE2-CD2 4.45Å; P368-F408 HydrophobicContact CB-CE1 4.38Å; P368-F408 HydrophobicContact CB-CZ 4.3Å; P368-F408 HydrophobicContact CG-CD1 3.76Å; P368-F408 HydrophobicContact CG-CE1 3.53Å; P368-F408 HydrophobicContact CG-CG 4.36Å; P368-F408 HydrophobicContact CG-CZ 3.93Å; E404-F408 PolarHBondContact O-N 3.18Å; W405-F408 PolarHBondContact O-N 3.26Å; F408-A410 VanDerWaalsContact C-N 3.31Å; F408-A410 PolarHBondContact O-N 3Å; F408-R411 PolarHBondContact O-N 2.9Å; F408-H412 AromaticContact CD2-CD2 3.91Å; F408-H412 AromaticContact CE2-CD2 3.52Å; F408-H412 AromaticContact CE2-NE2 3.96Å; F408-H412 AromaticContact CZ-CD2 3.58Å; F408-H412 PolarHBondContact O-N 3.39Å; F408-H412 VanDerWaalsContact O-N 3.14Å |
| 409 | V | 88.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | W405 L406 H412 Y413 Y416 L456 L457 T460 | W405-V409 WeakPolarHBondContact O-CG2 3.44Å; W405-V409 PolarHBondContact O-N 3.28Å; L406-V409 PolarHBondContact O-N 3.5Å; V409-H412 CarbonylContact O-C 3.43Å; V409-H412 PolarHBondContact O-N 2.98Å; V409-Y413 WeakPolarHBondContact O-CA 3.26Å; V409-Y413 WeakPolarHBondContact O-CB 3.42Å; V409-Y413 PolarHBondContact O-N 3.12Å; V409-Y416 HydrophobicContact CB-CE2 4.28Å; V409-Y416 HydrophobicContact CG1-CD2 4.07Å; V409-Y416 HydrophobicContact CG1-CE2 3.88Å; V409-Y416 HydrophobicContact CG2-CE1 4.48Å; V409-Y416 HydrophobicContact CG2-CE2 4.19Å; V409-L456 HydrophobicContact CG2-CD2 3.62Å; V409-L456 HydrophobicContact CG2-CG 4.05Å; V409-L457 HydrophobicContact CG1-CD2 3.84Å; V409-T460 HydrophobicContact CG1-CG2 4.05Å; V409-T460 WeakPolarHBondContact CG1-OG1 3.32Å |
| 410 | A | 86 | Confident | 84.3 | Confident | 16 Ų | 16 | 31.2 Ų | 31.2 | 13% | 0.132 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L406 T407 F408 H412 T460 | L406-A410 WeakPolarHBondContact O-CB 3.42Å; L406-A410 PolarHBondContact O-N 3.01Å; T407-A410 PolarHBondContact O-N 3.2Å; F408-A410 VanDerWaalsContact C-N 3.31Å; F408-A410 PolarHBondContact O-N 3Å; A410-H412 VanDerWaalsContact C-N 3.28Å; A410-H412 PolarHBondContact O-N 2.87Å; A410-T460 VanDerWaalsContact CA-CG2 3.43Å; A410-T460 HydrophobicContact CB-CG2 3.82Å |
| 411 | R | 82.8 | Confident | 85.9 | Confident | 64 Ų | 64 | 23.2 Ų | 23.2 | 24% | 0.242 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.4 | -31 | 178.7 | -73.6 | 174.9 | 178.1 | 176.6 | -1.2 | 113.5 | Y316 G320 I322 T407 F408 | Y316-R411 PolarHBondContact O-NH1 3.49Å; G320-R411 WeakPolarHBondContact O-CD 3.28Å; G320-R411 PolarHBondContact O-NE 3.47Å; I322-R411 HydrophobicContact CG1-CG 4.39Å; T407-R411 WeakPolarHBondContact O-CG 3.34Å; T407-R411 PolarHBondContact O-N 3.41Å; F408-R411 PolarHBondContact O-N 2.9Å |
| 412 | H | 85.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 2% | 0.023 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 27.6 | -174.9 | -59.3 | -51.6 | 0 | 0 | 0 | 113.2 | Q319 M335 F408 V409 A410 S414 L415 Y416 | Q319-H412 PolarHBondContact O-CE1 3.21Å; Q319-H412 VanDerWaalsContact O-CE1 3.3Å; M335-H412 WeakPolarHBondContact CB-CE1 3.45Å; F408-H412 AromaticContact CD2-CD2 3.91Å; F408-H412 AromaticContact CE2-CD2 3.52Å; F408-H412 AromaticContact CE2-NE2 3.96Å; F408-H412 AromaticContact CZ-CD2 3.58Å; F408-H412 PolarHBondContact O-N 3.39Å; F408-H412 VanDerWaalsContact O-N 3.14Å; V409-H412 CarbonylContact O-C 3.43Å; V409-H412 PolarHBondContact O-N 2.98Å; A410-H412 VanDerWaalsContact C-N 3.28Å; A410-H412 PolarHBondContact O-N 2.87Å; H412-S414 PolarHBondContact O-N 3.42Å; H412-S414 VanDerWaalsContact O-N 3.08Å; H412-L415 HydrophobicContact CB-CD1 3.99Å; H412-L415 HydrophobicContact CB-CG 4.36Å; H412-L415 WeakPolarHBondContact O-CB 3.37Å; H412-L415 PolarHBondContact O-N 3.41Å; H412-Y416 WeakPolarHBondContact O-CD2 3.19Å |
| 413 | Y | 88.4 | Confident | 88.1 | Confident | 25 Ų | 25 | 19.9 Ų | 19.9 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -31.7 | -172.6 | -173.3 | -108.6 | 0 | 0 | 0 | 113.3 | V409 L415 Y416 V417 T460 E461 L464 L490 | V409-Y413 WeakPolarHBondContact O-CA 3.26Å; V409-Y413 WeakPolarHBondContact O-CB 3.42Å; V409-Y413 PolarHBondContact O-N 3.12Å; Y413-L415 PolarHBondContact O-N 2.92Å; Y413-Y416 WeakPolarHBondContact O-CB 3.46Å; Y413-Y416 PolarHBondContact O-N 3.43Å; Y413-V417 HydrophobicContact CD1-CG2 3.92Å; Y413-V417 HydrophobicContact CD2-CG2 4.5Å; Y413-V417 HydrophobicContact CE1-CB 4.35Å; Y413-V417 HydrophobicContact CE1-CG2 3.29Å; Y413-V417 HydrophobicContact CE2-CG2 3.97Å; Y413-V417 HydrophobicContact CG-CG2 4.48Å; Y413-V417 PolarHBondContact O-N 3.04Å; Y413-V417 WeakPolarHBondContact OH-CG2 3.48Å; Y413-T460 HydrophobicContact CD2-CG2 3.6Å; Y413-T460 HydrophobicContact CE2-CG2 4.12Å; Y413-T460 HydrophobicContact CG-CG2 4.33Å; Y413-E461 HydrophobicContact CE2-CB 4.47Å; Y413-E461 PolarHBondContact OH-OE2 3.47Å; Y413-L464 HydrophobicContact CD1-CD1 3.71Å; Y413-L464 HydrophobicContact CD2-CD1 4.11Å; Y413-L464 HydrophobicContact CE1-CD1 4.28Å; Y413-L464 HydrophobicContact CG-CD1 3.61Å; Y413-L490 PolarHBondContact OH-N 3.24Å; Y413-L490 VanDerWaalsContact OH-N 3.12Å |
| 414 | S | 85.5 | Confident | 88.9 | Confident | 70 Ų | 70 | 17 Ų | 17 | 49% | 0.49 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -59.7 | -28.5 | 175.9 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | H412 Y416 G418 | H412-S414 PolarHBondContact O-N 3.42Å; H412-S414 VanDerWaalsContact O-N 3.08Å; S414-Y416 PolarHBondContact O-N 3.45Å; S414-G418 PolarHBondContact O-N 3.01Å |
| 415 | L | 88.9 | Confident | 89.5 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.2 | -24.4 | 174.3 | -63.1 | -179.1 | 0 | 0 | 0 | 112.3 | M335 F338 I342 W362 I366 H412 Y413 L419 | M335-L415 HydrophobicContact CE-CD1 4.08Å; F338-L415 HydrophobicContact CE1-CD1 4.5Å; F338-L415 HydrophobicContact CE1-CD2 4.38Å; I342-L415 HydrophobicContact CG2-CD2 4.09Å; W362-L415 PolarHBondContact NE1-O 2.95Å; I366-L415 HydrophobicContact CG2-CB 4.1Å; H412-L415 HydrophobicContact CB-CD1 3.99Å; H412-L415 HydrophobicContact CB-CG 4.36Å; H412-L415 WeakPolarHBondContact O-CB 3.37Å; H412-L415 PolarHBondContact O-N 3.41Å; Y413-L415 PolarHBondContact O-N 2.92Å; L415-L419 HydrophobicContact CB-CD1 4.32Å; L415-L419 HydrophobicContact CD2-CD1 3.62Å |
| 416 | Y | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -90.1 | -38.3 | -178 | -61.7 | -89.2 | 0 | 0 | 0 | 111.8 | I366 V409 H412 Y413 S414 F420 F453 L457 | I366-Y416 HydrophobicContact CB-CD1 4.14Å; I366-Y416 HydrophobicContact CB-CE1 3.59Å; I366-Y416 HydrophobicContact CG2-CD1 4.31Å; I366-Y416 HydrophobicContact CG2-CE1 4.13Å; I366-Y416 PolarHBondContact O-OH 3.14Å; V409-Y416 HydrophobicContact CB-CE2 4.28Å; V409-Y416 HydrophobicContact CG1-CD2 4.07Å; V409-Y416 HydrophobicContact CG1-CE2 3.88Å; V409-Y416 HydrophobicContact CG2-CE1 4.48Å; V409-Y416 HydrophobicContact CG2-CE2 4.19Å; H412-Y416 WeakPolarHBondContact O-CD2 3.19Å; Y413-Y416 WeakPolarHBondContact O-CB 3.46Å; Y413-Y416 PolarHBondContact O-N 3.43Å; S414-Y416 PolarHBondContact O-N 3.45Å; Y416-F420 WeakPolarHBondContact O-CB 3.36Å; Y416-F453 HydrophobicContact CD1-CE2 4.15Å; Y416-F453 AromaticContact CD1-CZ 3.7Å; Y416-F453 HydrophobicContact CD1-CZ 3.7Å; Y416-F453 AromaticContact CE1-CE2 3.73Å; Y416-F453 HydrophobicContact CE1-CE2 3.73Å; Y416-F453 AromaticContact CE1-CZ 3.64Å; Y416-F453 HydrophobicContact CE1-CZ 3.64Å; Y416-L457 HydrophobicContact CD1-CD2 3.76Å; Y416-L457 HydrophobicContact CE1-CD2 4.47Å; Y416-L457 HydrophobicContact CG-CD2 3.85Å |
| 417 | V | 90.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 14 Ų | 14 | 8% | 0.079 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -92.6 | -59 | -176 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | Y413 L419 F420 L421 L490 I495 | Y413-V417 HydrophobicContact CD1-CG2 3.92Å; Y413-V417 HydrophobicContact CD2-CG2 4.5Å; Y413-V417 HydrophobicContact CE1-CB 4.35Å; Y413-V417 HydrophobicContact CE1-CG2 3.29Å; Y413-V417 HydrophobicContact CE2-CG2 3.97Å; Y413-V417 HydrophobicContact CG-CG2 4.48Å; Y413-V417 PolarHBondContact O-N 3.04Å; Y413-V417 WeakPolarHBondContact OH-CG2 3.48Å; V417-L419 PolarHBondContact O-N 3.39Å; V417-F420 PolarHBondContact O-N 3.15Å; V417-L421 PolarHBondContact O-N 2.75Å; V417-L490 HydrophobicContact CG2-CB 4.06Å; V417-L490 HydrophobicContact CG2-CD1 4.49Å; V417-I495 HydrophobicContact CG1-CD1 3.61Å |
| 418 | G | 87.8 | Confident | 90.5 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 11% | 0.113 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S414 L421 L422 | S414-G418 PolarHBondContact O-N 3.01Å; G418-L421 PolarHBondContact O-N 2.99Å; G418-L422 WeakPolarHBondContact O-CG 3.11Å; G418-L422 PolarHBondContact O-N 2.82Å; G418-L422 VanDerWaalsContact O-N 3.11Å |
| 419 | L | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.7 | -32.9 | 178.4 | -66.1 | 173.8 | 0 | 0 | 0 | 112.6 | I342 V343 F346 W362 L415 V417 L422 F423 | I342-L419 HydrophobicContact CG1-CD1 4.31Å; I342-L419 HydrophobicContact CG2-CD1 3.55Å; I342-L419 HydrophobicContact CG2-CD2 4.21Å; V343-L419 HydrophobicContact CB-CD2 4.35Å; V343-L419 HydrophobicContact CG2-CD2 3.68Å; V343-L419 HydrophobicContact CG2-CG 4.34Å; F346-L419 HydrophobicContact CB-CD2 4.16Å; F346-L419 HydrophobicContact CD1-CD2 4.32Å; F346-L419 HydrophobicContact CD2-CD2 3.83Å; F346-L419 HydrophobicContact CE2-CD2 4.28Å; F346-L419 HydrophobicContact CG-CD2 3.84Å; W362-L419 HydrophobicContact CD2-CB 4.49Å; W362-L419 HydrophobicContact CG-CD1 4.17Å; W362-L419 HydrophobicContact CZ2-CB 4.21Å; L415-L419 HydrophobicContact CB-CD1 4.32Å; L415-L419 HydrophobicContact CD2-CD1 3.62Å; V417-L419 PolarHBondContact O-N 3.39Å; L419-L422 HydrophobicContact CD2-CD1 4.35Å; L419-L422 PolarHBondContact O-N 3.36Å; L419-F423 WeakPolarHBondContact O-CB 3.32Å; L419-F423 PolarHBondContact O-N 2.92Å |
| 420 | F | 95.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 174.6 | -179.4 | -107.2 | 0 | 0 | 0 | 111.2 | W362 Y416 V417 L422 F423 L424 V444 F448 L490 I495 V499 L568 F572 | W362-F420 HydrophobicContact CH2-CB 4.35Å; W362-F420 HydrophobicContact CH2-CD2 4.18Å; W362-F420 HydrophobicContact CZ2-CB 4.25Å; Y416-F420 WeakPolarHBondContact O-CB 3.36Å; V417-F420 PolarHBondContact O-N 3.15Å; F420-L422 PolarHBondContact O-N 3.3Å; F420-F423 WeakPolarHBondContact O-CB 3.46Å; F420-F423 PolarHBondContact O-N 3.43Å; F420-L424 HydrophobicContact CD1-CD1 3.87Å; F420-L424 HydrophobicContact CD1-CG 4.32Å; F420-L424 HydrophobicContact CE1-CD1 3.41Å; F420-L424 VanDerWaalsContact CE1-CD1 3.41Å; F420-L424 HydrophobicContact CE1-CD2 4.35Å; F420-L424 HydrophobicContact CE1-CG 3.98Å; F420-L424 HydrophobicContact CE2-CD2 4.27Å; F420-L424 HydrophobicContact CE2-CG 4.38Å; F420-L424 HydrophobicContact CZ-CD1 3.85Å; F420-L424 HydrophobicContact CZ-CD2 3.91Å; F420-L424 HydrophobicContact CZ-CG 4.01Å; F420-L424 WeakPolarHBondContact O-CG 3.06Å; F420-L424 PolarHBondContact O-N 2.88Å; F420-V444 HydrophobicContact CD2-CG1 4.2Å; F420-V444 HydrophobicContact CE2-CG1 4.02Å; F420-F448 HydrophobicContact CB-CZ 4.27Å; F420-F448 HydrophobicContact CD2-CE1 4.11Å; F420-F448 AromaticContact CD2-CE2 3.81Å; F420-F448 HydrophobicContact CD2-CE2 3.81Å; F420-F448 AromaticContact CD2-CZ 3.57Å; F420-F448 HydrophobicContact CD2-CZ 3.57Å; F420-F448 HydrophobicContact CE2-CD2 4.46Å; F420-F448 HydrophobicContact CE2-CE1 4.36Å; F420-F448 HydrophobicContact CE2-CE2 4.18Å; F420-F448 HydrophobicContact CE2-CZ 4.12Å; F420-F448 HydrophobicContact CG-CE1 4.42Å; F420-F448 HydrophobicContact CG-CZ 4.04Å; F420-L490 HydrophobicContact CD1-CD1 3.65Å; F420-L490 HydrophobicContact CE1-CD1 4.17Å; F420-L490 HydrophobicContact CG-CD1 4.33Å; F420-I495 HydrophobicContact CD1-CG2 4.12Å; F420-I495 HydrophobicContact CE1-CG2 3.99Å; F420-V499 HydrophobicContact CE1-CG2 4.25Å; F420-V499 HydrophobicContact CZ-CG2 4.49Å; F420-L568 HydrophobicContact CZ-CD2 4.44Å; F420-F572 AromaticContact CE1-CE2 3.91Å; F420-F572 HydrophobicContact CE1-CE2 3.91Å; F420-F572 AromaticContact CE1-CZ 3.52Å; F420-F572 HydrophobicContact CE1-CZ 3.52Å; F420-F572 AromaticContact CZ-CE2 3.8Å; F420-F572 HydrophobicContact CZ-CE2 3.8Å; F420-F572 AromaticContact CZ-CZ 3.89Å; F420-F572 HydrophobicContact CZ-CZ 3.89Å |
| 421 | L | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 173.9 | 176.9 | 60.6 | 0 | 0 | 0 | 112.2 | L245 I253 V417 G418 F423 L424 Q425 I495 T498 | L245-L421 HydrophobicContact CD1-CD2 3.18Å; I253-L421 HydrophobicContact CD1-CD2 4.19Å; V417-L421 PolarHBondContact O-N 2.75Å; G418-L421 PolarHBondContact O-N 2.99Å; L421-F423 VanDerWaalsContact C-N 3.26Å; L421-F423 PolarHBondContact O-N 2.85Å; L421-L424 PolarHBondContact O-N 3.03Å; L421-Q425 HydrophobicContact CD1-CG 4.18Å; L421-Q425 HydrophobicContact CG-CG 4.48Å; L421-Q425 WeakPolarHBondContact O-CG 3.28Å; L421-Q425 PolarHBondContact O-N 2.66Å; L421-I495 HydrophobicContact CB-CG1 4.42Å; L421-I495 HydrophobicContact CD1-CG1 4.25Å; L421-T498 HydrophobicContact CD1-CG2 4.22Å |
| 422 | L | 93.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.2 | -38.1 | 176.2 | -71.1 | 174.3 | 0 | 0 | 0 | 111.6 | I242 I253 V343 F346 Q347 G418 L419 F420 R426 | I242-L422 HydrophobicContact CD1-CD1 3.86Å; I253-L422 HydrophobicContact CB-CD2 4.43Å; I253-L422 HydrophobicContact CD1-CD2 3.99Å; I253-L422 HydrophobicContact CG2-CD2 4.29Å; V343-L422 HydrophobicContact CG1-CD1 4.42Å; F346-L422 HydrophobicContact CB-CB 4.14Å; F346-L422 HydrophobicContact CB-CD1 3.9Å; F346-L422 HydrophobicContact CD1-CB 3.95Å; F346-L422 HydrophobicContact CG-CB 4.49Å; Q347-L422 HydrophobicContact CG-CD1 4.12Å; Q347-L422 HydrophobicContact CG-CD2 4.28Å; G418-L422 WeakPolarHBondContact O-CG 3.11Å; G418-L422 PolarHBondContact O-N 2.82Å; G418-L422 VanDerWaalsContact O-N 3.11Å; L419-L422 HydrophobicContact CD2-CD1 4.35Å; L419-L422 PolarHBondContact O-N 3.36Å; F420-L422 PolarHBondContact O-N 3.3Å; L422-R426 WeakPolarHBondContact O-CB 3.48Å; L422-R426 PolarHBondContact O-N 3.45Å |
| 423 | F | 96.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.3 | -52.2 | 172.6 | 179.8 | -108.7 | 0 | 0 | 0 | 111.5 | F346 F355 L359 L419 F420 L421 Q425 R426 V427 V441 V444 | F346-F423 HydrophobicContact CE1-CB 4.01Å; F355-F423 HydrophobicContact CE1-CD2 4.21Å; F355-F423 HydrophobicContact CE1-CE2 4.42Å; L359-F423 HydrophobicContact CD1-CD2 3.64Å; L359-F423 HydrophobicContact CD1-CE2 3.56Å; L359-F423 HydrophobicContact CD1-CZ 4.39Å; L359-F423 HydrophobicContact CD2-CE2 4.37Å; L419-F423 WeakPolarHBondContact O-CB 3.32Å; L419-F423 PolarHBondContact O-N 2.92Å; F420-F423 WeakPolarHBondContact O-CB 3.46Å; F420-F423 PolarHBondContact O-N 3.43Å; L421-F423 VanDerWaalsContact C-N 3.26Å; L421-F423 PolarHBondContact O-N 2.85Å; F423-Q425 VanDerWaalsContact C-N 3.32Å; F423-Q425 PolarHBondContact O-N 3.44Å; F423-R426 CarbonylContact O-C 3.59Å; F423-R426 WeakPolarHBondContact O-CA 3.42Å; F423-R426 WeakPolarHBondContact O-CB 3.44Å; F423-R426 PolarHBondContact O-N 2.9Å; F423-V427 HydrophobicContact CD1-CG2 4.05Å; F423-V427 HydrophobicContact CD2-CG2 4.38Å; F423-V427 HydrophobicContact CE1-CG2 3.56Å; F423-V427 HydrophobicContact CE2-CG2 3.92Å; F423-V427 HydrophobicContact CG-CG2 4.44Å; F423-V427 HydrophobicContact CZ-CG2 3.48Å; F423-V427 VanDerWaalsContact CZ-CG2 3.48Å; F423-V427 WeakPolarHBondContact O-CG2 3.46Å; F423-V427 PolarHBondContact O-N 3.24Å; F423-V441 HydrophobicContact CZ-CG2 4.26Å; F423-V444 HydrophobicContact CD1-CB 4.35Å; F423-V444 HydrophobicContact CD1-CG1 4.06Å; F423-V444 HydrophobicContact CD1-CG2 4.02Å; F423-V444 HydrophobicContact CD2-CG2 4.38Å; F423-V444 HydrophobicContact CE1-CB 3.79Å; F423-V444 HydrophobicContact CE1-CG1 3.96Å; F423-V444 HydrophobicContact CE1-CG2 3.54Å; F423-V444 HydrophobicContact CE2-CG2 3.94Å; F423-V444 HydrophobicContact CG-CG2 4.41Å; F423-V444 HydrophobicContact CZ-CB 4.15Å; F423-V444 HydrophobicContact CZ-CG2 3.49Å; F423-V444 VanDerWaalsContact CZ-CG2 3.49Å |
| 424 | L | 94.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | -179.1 | -66.6 | 175.2 | 0 | 0 | 0 | 111.7 | F420 L421 R426 V427 T428 I495 T498 V499 V502 | F420-L424 HydrophobicContact CD1-CD1 3.87Å; F420-L424 HydrophobicContact CD1-CG 4.32Å; F420-L424 HydrophobicContact CE1-CD1 3.41Å; F420-L424 VanDerWaalsContact CE1-CD1 3.41Å; F420-L424 HydrophobicContact CE1-CD2 4.35Å; F420-L424 HydrophobicContact CE1-CG 3.98Å; F420-L424 HydrophobicContact CE2-CD2 4.27Å; F420-L424 HydrophobicContact CE2-CG 4.38Å; F420-L424 HydrophobicContact CZ-CD1 3.85Å; F420-L424 HydrophobicContact CZ-CD2 3.91Å; F420-L424 HydrophobicContact CZ-CG 4.01Å; F420-L424 WeakPolarHBondContact O-CG 3.06Å; F420-L424 PolarHBondContact O-N 2.88Å; L421-L424 PolarHBondContact O-N 3.03Å; L424-R426 VanDerWaalsContact C-N 3.27Å; L424-R426 PolarHBondContact O-N 3.4Å; L424-V427 PolarHBondContact O-N 3.03Å; L424-V427 VanDerWaalsContact O-N 3.12Å; L424-T428 WeakPolarHBondContact O-CG2 3.16Å; L424-T428 PolarHBondContact O-N 3.19Å; L424-T428 VanDerWaalsContact O-N 3.16Å; L424-I495 HydrophobicContact CD1-CG2 4.16Å; L424-T498 HydrophobicContact CB-CG2 3.57Å; L424-T498 HydrophobicContact CD1-CG2 4.26Å; L424-V499 HydrophobicContact CD1-CG2 3.46Å; L424-V499 VanDerWaalsContact CD1-CG2 3.46Å; L424-V499 HydrophobicContact CD2-CG2 4.36Å; L424-V502 HydrophobicContact CB-CG2 4.18Å; L424-V502 HydrophobicContact CD2-CB 4.47Å; L424-V502 HydrophobicContact CD2-CG2 4.04Å |
| 425 | Q | 93.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.1 | -39.9 | 174.9 | -72.1 | 174 | -4.7 | 0 | 0 | 111.7 | L421 F423 T428 T498 | L421-Q425 HydrophobicContact CD1-CG 4.18Å; L421-Q425 HydrophobicContact CG-CG 4.48Å; L421-Q425 WeakPolarHBondContact O-CG 3.28Å; L421-Q425 PolarHBondContact O-N 2.66Å; F423-Q425 VanDerWaalsContact C-N 3.32Å; F423-Q425 PolarHBondContact O-N 3.44Å; Q425-T428 PolarHBondContact O-N 3.12Å; Q425-T428 PolarHBondContact O-OG1 3.4Å; Q425-T498 HydrophobicContact CG-CG2 4.31Å |
| 426 | R | 94.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 3% | 0.034 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 173.2 | 175.4 | -179.1 | -69.2 | -91.6 | -1.3 | 111.9 | F346 W349 P350 F351 F355 L422 F423 L424 T428 K429 I430 | F346-R426 PolarHBondContact O-NH2 2.94Å; W349-R426 PolarHBondContact O-NH1 2.78Å; W349-R426 VanDerWaalsContact O-NH1 3.15Å; W349-R426 PolarHBondContact O-NH2 3.45Å; P350-R426 PolarHBondContact O-NH1 2.99Å; F351-R426 HydrophobicContact CD1-CG 3.96Å; F351-R426 HydrophobicContact CE1-CB 4.33Å; F351-R426 HydrophobicContact CE1-CG 3.86Å; F355-R426 VanDerWaalsContact CE1-CD 3.42Å; L422-R426 WeakPolarHBondContact O-CB 3.48Å; L422-R426 PolarHBondContact O-N 3.45Å; F423-R426 CarbonylContact O-C 3.59Å; F423-R426 WeakPolarHBondContact O-CA 3.42Å; F423-R426 WeakPolarHBondContact O-CB 3.44Å; F423-R426 PolarHBondContact O-N 2.9Å; L424-R426 VanDerWaalsContact C-N 3.27Å; L424-R426 PolarHBondContact O-N 3.4Å; R426-T428 PolarHBondContact O-N 2.92Å; R426-K429 PolarHBondContact O-N 3.29Å; R426-I430 HydrophobicContact CG-CG2 4.16Å; R426-I430 PolarHBondContact O-N 3.47Å |
| 427 | V | 93.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.2 | -35.6 | 179.3 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | F423 L424 K429 I430 L432 V441 V502 | F423-V427 HydrophobicContact CD1-CG2 4.05Å; F423-V427 HydrophobicContact CD2-CG2 4.38Å; F423-V427 HydrophobicContact CE1-CG2 3.56Å; F423-V427 HydrophobicContact CE2-CG2 3.92Å; F423-V427 HydrophobicContact CG-CG2 4.44Å; F423-V427 HydrophobicContact CZ-CG2 3.48Å; F423-V427 VanDerWaalsContact CZ-CG2 3.48Å; F423-V427 WeakPolarHBondContact O-CG2 3.46Å; F423-V427 PolarHBondContact O-N 3.24Å; L424-V427 PolarHBondContact O-N 3.03Å; L424-V427 VanDerWaalsContact O-N 3.12Å; V427-K429 PolarHBondContact O-N 3.38Å; V427-K429 VanDerWaalsContact O-N 3.12Å; V427-I430 HydrophobicContact CG2-CD1 4.35Å; V427-I430 WeakPolarHBondContact O-CG1 3.22Å; V427-I430 PolarHBondContact O-N 2.69Å; V427-L432 HydrophobicContact CG1-CD1 4.47Å; V427-L432 HydrophobicContact CG1-CD2 4.3Å; V427-V441 HydrophobicContact CG1-CG2 3.85Å; V427-V441 HydrophobicContact CG2-CG2 3.8Å; V427-V502 HydrophobicContact CB-CG1 4.44Å; V427-V502 HydrophobicContact CB-CG2 4.1Å; V427-V502 HydrophobicContact CG1-CB 4.45Å; V427-V502 HydrophobicContact CG1-CG1 3.66Å; V427-V502 HydrophobicContact CG1-CG2 4.03Å |
| 428 | T | 92.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 26.1 Ų | 26.1 | 21% | 0.209 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -7.8 | 176.8 | 64.6 | 0 | 0 | 0 | 0 | 115 | L424 Q425 R426 R501 V502 | L424-T428 WeakPolarHBondContact O-CG2 3.16Å; L424-T428 PolarHBondContact O-N 3.19Å; L424-T428 VanDerWaalsContact O-N 3.16Å; Q425-T428 PolarHBondContact O-N 3.12Å; Q425-T428 PolarHBondContact O-OG1 3.4Å; R426-T428 PolarHBondContact O-N 2.92Å; T428-R501 HydrophobicContact CG2-CB 4.47Å; T428-R501 HydrophobicContact CG2-CG 3.99Å; T428-V502 HydrophobicContact CG2-CG2 3.53Å |
| 429 | K | 92 | Very high | 91.9 | Very high | 103 Ų | 103 | 27.4 Ų | 27.4 | 45% | 0.448 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -14.8 | -178.1 | -61.5 | -178.2 | -179.8 | -174 | 0 | 113.7 | L255 F351 R426 V427 | L255-K429 HydrophobicContact CD1-CD 4.42Å; F351-K429 HydrophobicContact CD1-CB 4.26Å; F351-K429 HydrophobicContact CE1-CB 3.77Å; F351-K429 HydrophobicContact CE1-CD 4.01Å; F351-K429 HydrophobicContact CE1-CG 4.49Å; F351-K429 HydrophobicContact CZ-CB 4.33Å; F351-K429 HydrophobicContact CZ-CD 3.83Å; R426-K429 PolarHBondContact O-N 3.29Å; V427-K429 PolarHBondContact O-N 3.38Å; V427-K429 VanDerWaalsContact O-N 3.12Å |
| 430 | I | 91.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -90.3 | 153.6 | 179.9 | 66.6 | -175.6 | 0 | 0 | 0 | 111.4 | F351 R426 V427 L432 N437 | F351-I430 HydrophobicContact CB-CG2 4.4Å; F351-I430 HydrophobicContact CD1-CG2 3.78Å; R426-I430 HydrophobicContact CG-CG2 4.16Å; R426-I430 PolarHBondContact O-N 3.47Å; V427-I430 HydrophobicContact CG2-CD1 4.35Å; V427-I430 WeakPolarHBondContact O-CG1 3.22Å; V427-I430 PolarHBondContact O-N 2.69Å; I430-L432 HydrophobicContact CD1-CD2 4.32Å; I430-L432 HydrophobicContact CG1-CD2 4.23Å; I430-L432 PolarHBondContact O-N 3.04Å; I430-N437 HydrophobicContact CD1-CB 3.98Å; I430-N437 HydrophobicContact CG1-CB 4.45Å |
| 431 | D | 90.5 | Very high | 91.9 | Very high | 83 Ų | 83 | 27.6 Ų | 27.6 | 44% | 0.444 | 13% | 0.132 | S | C | . | . | trans | -77.8 | 114 | 173.4 | -176.9 | 12.9 | 0 | 0 | 0 | 111.2 | H433 V434 N437 | D431-H433 VanDerWaalsContact C-N 3.33Å; D431-H433 WeakPolarHBondContact OD1-CB 3.18Å; D431-H433 IonicContact OD1-CE1 3.43Å; D431-H433 IonicContact OD1-CG 3.15Å; D431-H433 PolarHBondContact OD1-N 3.1Å; D431-H433 IonicContact OD1-ND1 3.44Å; D431-H433 PolarHBondContact OD1-ND1 3.06Å; D431-V434 HydrophobicContact CB-CG2 4.5Å; D431-N437 VanDerWaalsContact O-CB 3.3Å; D431-N437 WeakPolarHBondContact O-CB 3.48Å; D431-N437 PolarHBondContact O-ND2 2.96Å | ||
| 432 | L | 92.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.3 | 178.8 | -67.7 | 177.8 | 0 | 0 | 0 | 113.8 | V427 I430 V434 V441 C505 M506 T509 C557 L561 | V427-L432 HydrophobicContact CG1-CD1 4.47Å; V427-L432 HydrophobicContact CG1-CD2 4.3Å; I430-L432 HydrophobicContact CD1-CD2 4.32Å; I430-L432 HydrophobicContact CG1-CD2 4.23Å; I430-L432 PolarHBondContact O-N 3.04Å; L432-V434 PolarHBondContact O-N 3.36Å; L432-V441 HydrophobicContact CD2-CG2 3.96Å; L432-C505 HydrophobicContact CD1-CB 4.25Å; L432-M506 HydrophobicContact CD1-CG 3.81Å; L432-T509 HydrophobicContact CB-CG2 3.83Å; L432-C557 PolarHBondContact O-SG 2.8Å; L432-L561 HydrophobicContact CB-CD2 4.48Å; L432-L561 HydrophobicContact CD1-CD2 4.5Å |
| 433 | H | 88.9 | Confident | 91.8 | Very high | 73 Ų | 73 | 31.5 Ų | 31.5 | 34% | 0.338 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -25.5 | 170.7 | -62 | 84.1 | 0 | 0 | 0 | 111.5 | D431 Y435 | D431-H433 VanDerWaalsContact C-N 3.33Å; D431-H433 WeakPolarHBondContact OD1-CB 3.18Å; D431-H433 IonicContact OD1-CE1 3.43Å; D431-H433 IonicContact OD1-CG 3.15Å; D431-H433 PolarHBondContact OD1-N 3.1Å; D431-H433 IonicContact OD1-ND1 3.44Å; D431-H433 PolarHBondContact OD1-ND1 3.06Å; H433-Y435 PolarHBondContact O-N 2.85Å |
| 434 | V | 87.8 | Confident | 91.7 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 31% | 0.309 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -73.3 | 112.8 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 109 | L353 D431 L432 R436 N437 A438 | L353-V434 HydrophobicContact CD2-CG1 4.24Å; D431-V434 HydrophobicContact CB-CG2 4.5Å; L432-V434 PolarHBondContact O-N 3.36Å; V434-R436 HydrophobicContact CG1-CB 4.37Å; V434-R436 PolarHBondContact O-N 3.47Å; V434-N437 HydrophobicContact CB-CB 4.32Å; V434-N437 WeakPolarHBondContact O-CB 3.09Å; V434-N437 PolarHBondContact O-N 3.33Å; V434-A438 PolarHBondContact O-N 3.45Å; V434-A438 VanDerWaalsContact O-N 3.13Å |
| 435 | Y | 86.2 | Confident | 91.6 | Very high | 57 Ų | 57 | 31.3 Ų | 31.3 | 22% | 0.224 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.6 | -29.3 | -175.9 | 79.1 | -86.6 | 0 | 0 | 0 | 114.1 | H433 H439 N553 | H433-Y435 PolarHBondContact O-N 2.85Å; Y435-H439 WeakPolarHBondContact O-CB 3.29Å; Y435-H439 PolarHBondContact O-N 2.86Å; Y435-N553 WeakPolarHBondContact CB-O 3.44Å; Y435-N553 HydrophobicContact CD1-CB 3.67Å; Y435-N553 HydrophobicContact CE1-CB 4.16Å; Y435-N553 HydrophobicContact CG-CB 4.04Å |
| 436 | R | 86.1 | Confident | 91.3 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 23% | 0.226 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.7 | -35.5 | 175.9 | -69.4 | -174.7 | 65.7 | -174.2 | 1.2 | 112.9 | L353 E356 V434 H439 M440 | L353-R436 HydrophobicContact CD2-CB 3.59Å; E356-R436 IonicContact OE2-CZ 2.6Å; E356-R436 IonicContact OE2-NE 2.79Å; E356-R436 PolarHBondContact OE2-NE 2.88Å; E356-R436 IonicContact OE2-NH2 3.77Å; E356-R436 PolarHBondContact OE2-NH2 3.46Å; V434-R436 HydrophobicContact CG1-CB 4.37Å; V434-R436 PolarHBondContact O-N 3.47Å; R436-H439 WeakPolarHBondContact O-CB 3.47Å; R436-H439 PolarHBondContact O-N 2.82Å; R436-M440 WeakPolarHBondContact O-CG 3.04Å; R436-M440 PolarHBondContact O-N 2.83Å |
| 437 | N | 92.5 | Very high | 91.1 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 172 | -72.2 | -18.5 | 0 | 0 | 0 | 110.5 | L353 I430 D431 V434 H439 M440 V441 | L353-N437 WeakPolarHBondContact CD2-OD1 3.35Å; I430-N437 HydrophobicContact CD1-CB 3.98Å; I430-N437 HydrophobicContact CG1-CB 4.45Å; D431-N437 VanDerWaalsContact O-CB 3.3Å; D431-N437 WeakPolarHBondContact O-CB 3.48Å; D431-N437 PolarHBondContact O-ND2 2.96Å; V434-N437 HydrophobicContact CB-CB 4.32Å; V434-N437 WeakPolarHBondContact O-CB 3.09Å; V434-N437 PolarHBondContact O-N 3.33Å; N437-H439 VanDerWaalsContact C-N 3.3Å; N437-H439 PolarHBondContact O-N 2.78Å; N437-M440 HydrophobicContact CB-CE 4.36Å; N437-M440 WeakPolarHBondContact O-CB 3.45Å; N437-M440 PolarHBondContact O-N 3.48Å; N437-M440 WeakPolarHBondContact OD1-CE 3.31Å; N437-V441 PolarHBondContact O-N 3.44Å |
| 438 | A | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V434 V441 Y442 C557 L561 | V434-A438 PolarHBondContact O-N 3.45Å; V434-A438 VanDerWaalsContact O-N 3.13Å; A438-V441 PolarHBondContact O-N 3.48Å; A438-Y442 PolarHBondContact O-N 3.07Å; A438-C557 VanDerWaalsContact CB-SG 3.54Å; A438-L561 HydrophobicContact CB-CD2 3.92Å; A438-L561 HydrophobicContact CB-CG 4.05Å |
| 439 | H | 90.8 | Very high | 90.6 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 18% | 0.181 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 174.1 | 178.1 | -110.6 | 0 | 0 | 0 | 111.5 | E356 Y435 R436 N437 V441 Y442 R443 Y560 | E356-H439 IonicContact OE1-ND1 2.66Å; Y435-H439 WeakPolarHBondContact O-CB 3.29Å; Y435-H439 PolarHBondContact O-N 2.86Å; R436-H439 WeakPolarHBondContact O-CB 3.47Å; R436-H439 PolarHBondContact O-N 2.82Å; N437-H439 VanDerWaalsContact C-N 3.3Å; N437-H439 PolarHBondContact O-N 2.78Å; H439-V441 VanDerWaalsContact C-N 3.3Å; H439-V441 PolarHBondContact O-N 3.37Å; H439-Y442 CarbonylContact O-C 3.44Å; H439-Y442 WeakPolarHBondContact O-CB 3.14Å; H439-Y442 PolarHBondContact O-N 3.47Å; H439-R443 VanDerWaalsContact CE1-CG 3.44Å; H439-R443 WeakPolarHBondContact CE1-CG 3.12Å; H439-R443 WeakPolarHBondContact NE2-CD 3.14Å; H439-R443 WeakPolarHBondContact O-CB 3.29Å; H439-R443 WeakPolarHBondContact O-CG 2.8Å; H439-R443 PolarHBondContact O-N 3.28Å; H439-Y560 HydrophobicContact CB-CD2 3.84Å; H439-Y560 HydrophobicContact CB-CE2 3.81Å; H439-Y560 AromaticContact CD2-CE1 3.97Å; H439-Y560 AromaticContact CD2-CE2 3.98Å; H439-Y560 AromaticContact CD2-CZ 3.73Å |
| 440 | M | 93.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56 | -44 | 175.1 | -76 | -167.1 | -70.6 | 0 | 0 | 112 | F355 E356 L359 R436 N437 R443 V444 | F355-M440 HydrophobicContact CD1-SD 3.98Å; E356-M440 HydrophobicContact CB-CG 4.41Å; E356-M440 HydrophobicContact CB-SD 4Å; E356-M440 HydrophobicContact CG-CG 4.38Å; L359-M440 HydrophobicContact CD2-CB 3.54Å; L359-M440 HydrophobicContact CD2-CG 3.61Å; L359-M440 HydrophobicContact CD2-SD 4.07Å; R436-M440 WeakPolarHBondContact O-CG 3.04Å; R436-M440 PolarHBondContact O-N 2.83Å; N437-M440 HydrophobicContact CB-CE 4.36Å; N437-M440 WeakPolarHBondContact O-CB 3.45Å; N437-M440 PolarHBondContact O-N 3.48Å; N437-M440 WeakPolarHBondContact OD1-CE 3.31Å; M440-R443 WeakPolarHBondContact O-CB 3.49Å; M440-R443 PolarHBondContact O-N 3.31Å; M440-V444 WeakPolarHBondContact O-CG2 2.99Å; M440-V444 PolarHBondContact O-N 3Å |
| 441 | V | 94.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -52 | 174.8 | -178 | 0 | 0 | 0 | 0 | 110.6 | F423 V427 L432 N437 A438 H439 R443 V444 T445 M506 | F423-V441 HydrophobicContact CZ-CG2 4.26Å; V427-V441 HydrophobicContact CG1-CG2 3.85Å; V427-V441 HydrophobicContact CG2-CG2 3.8Å; L432-V441 HydrophobicContact CD2-CG2 3.96Å; N437-V441 PolarHBondContact O-N 3.44Å; A438-V441 PolarHBondContact O-N 3.48Å; H439-V441 VanDerWaalsContact C-N 3.3Å; H439-V441 PolarHBondContact O-N 3.37Å; V441-R443 PolarHBondContact O-N 3.01Å; V441-V444 PolarHBondContact O-N 2.69Å; V441-V444 VanDerWaalsContact O-N 3.1Å; V441-T445 HydrophobicContact CG1-CG2 4.2Å; V441-T445 WeakPolarHBondContact O-CG2 3.43Å; V441-T445 PolarHBondContact O-N 2.96Å; V441-T445 PolarHBondContact O-OG1 2.95Å; V441-M506 HydrophobicContact CG1-CE 3.64Å; V441-M506 HydrophobicContact CG1-SD 3.83Å |
| 442 | Y | 92.3 | Very high | 89 | Confident | 32 Ų | 32 | 36.5 Ų | 36.5 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.2 | -38.7 | 176.5 | 166.4 | -101.2 | 0 | 0 | 0 | 113 | A438 H439 T445 K446 Y560 E563 | A438-Y442 PolarHBondContact O-N 3.07Å; H439-Y442 CarbonylContact O-C 3.44Å; H439-Y442 WeakPolarHBondContact O-CB 3.14Å; H439-Y442 PolarHBondContact O-N 3.47Å; Y442-T445 WeakPolarHBondContact CA-OG1 3.44Å; Y442-T445 PolarHBondContact O-N 3.5Å; Y442-T445 PolarHBondContact O-OG1 3.41Å; Y442-K446 HydrophobicContact CE1-CD 3.99Å; Y442-K446 WeakPolarHBondContact O-CB 3.5Å; Y442-K446 PolarHBondContact O-N 3.5Å; Y442-K446 PolarHBondContact OH-NZ 2.98Å; Y442-Y560 AromaticContact CD1-CD1 3.67Å; Y442-Y560 HydrophobicContact CD1-CD1 3.67Å; Y442-Y560 HydrophobicContact CD1-CE1 4.02Å; Y442-Y560 HydrophobicContact CD2-CD1 4.22Å; Y442-Y560 HydrophobicContact CE1-CD1 4.19Å; Y442-Y560 HydrophobicContact CE1-CE1 4.24Å; Y442-Y560 AromaticContact CG-CD1 3.69Å; Y442-Y560 HydrophobicContact CG-CD1 3.69Å; Y442-Y560 HydrophobicContact CG-CE1 4.49Å; Y442-Y560 HydrophobicContact CG-CG 4.29Å; Y442-E563 HydrophobicContact CD2-CB 3.77Å; Y442-E563 HydrophobicContact CE2-CB 3.77Å; Y442-E563 HydrophobicContact CE2-CG 4.24Å |
| 443 | R | 92.1 | Very high | 88.7 | Confident | 59 Ų | 59 | 36.3 Ų | 36.3 | 22% | 0.223 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 178 | -72.3 | -70.7 | -66.4 | 162.6 | 0.3 | 111.4 | E360 L363 H439 M440 V441 V447 | E360-R443 IonicContact OE1-CZ 2.84Å; E360-R443 IonicContact OE1-NE 2.67Å; E360-R443 PolarHBondContact OE1-NE 2.97Å; E360-R443 IonicContact OE1-NH2 3.15Å; E360-R443 PolarHBondContact OE1-NH2 3.21Å; E360-R443 VanDerWaalsContact OE1-NH2 3.15Å; E360-R443 IonicContact OE2-CZ 3.45Å; E360-R443 IonicContact OE2-NH2 2.76Å; E360-R443 PolarHBondContact OE2-NH2 3.39Å; L363-R443 HydrophobicContact CD1-CB 4.14Å; H439-R443 VanDerWaalsContact CE1-CG 3.44Å; H439-R443 WeakPolarHBondContact CE1-CG 3.12Å; H439-R443 WeakPolarHBondContact NE2-CD 3.14Å; H439-R443 WeakPolarHBondContact O-CB 3.29Å; H439-R443 WeakPolarHBondContact O-CG 2.8Å; H439-R443 PolarHBondContact O-N 3.28Å; M440-R443 WeakPolarHBondContact O-CB 3.49Å; M440-R443 PolarHBondContact O-N 3.31Å; V441-R443 PolarHBondContact O-N 3.01Å; R443-V447 WeakPolarHBondContact O-CG2 3.31Å; R443-V447 PolarHBondContact O-N 3.27Å; R443-V447 VanDerWaalsContact O-N 3.15Å |
| 444 | V | 95 | Very high | 88.7 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -51.6 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | L359 W362 L363 F420 F423 M440 V441 K446 V447 F448 | L359-V444 HydrophobicContact CD1-CG2 3.66Å; L359-V444 HydrophobicContact CD2-CG2 4.25Å; L359-V444 HydrophobicContact CG-CG2 4.33Å; W362-V444 HydrophobicContact CH2-CG1 4.11Å; W362-V444 HydrophobicContact CZ3-CG1 4.09Å; W362-V444 HydrophobicContact CZ3-CG2 3.84Å; L363-V444 HydrophobicContact CD1-CG2 4.41Å; L363-V444 HydrophobicContact CD2-CG2 4.29Å; F420-V444 HydrophobicContact CD2-CG1 4.2Å; F420-V444 HydrophobicContact CE2-CG1 4.02Å; F423-V444 HydrophobicContact CD1-CB 4.35Å; F423-V444 HydrophobicContact CD1-CG1 4.06Å; F423-V444 HydrophobicContact CD1-CG2 4.02Å; F423-V444 HydrophobicContact CD2-CG2 4.38Å; F423-V444 HydrophobicContact CE1-CB 3.79Å; F423-V444 HydrophobicContact CE1-CG1 3.96Å; F423-V444 HydrophobicContact CE1-CG2 3.54Å; F423-V444 HydrophobicContact CE2-CG2 3.94Å; F423-V444 HydrophobicContact CG-CG2 4.41Å; F423-V444 HydrophobicContact CZ-CB 4.15Å; F423-V444 HydrophobicContact CZ-CG2 3.49Å; F423-V444 VanDerWaalsContact CZ-CG2 3.49Å; M440-V444 WeakPolarHBondContact O-CG2 2.99Å; M440-V444 PolarHBondContact O-N 3Å; V441-V444 PolarHBondContact O-N 2.69Å; V441-V444 VanDerWaalsContact O-N 3.1Å; V444-K446 VanDerWaalsContact C-N 3.27Å; V444-K446 PolarHBondContact O-N 2.97Å; V444-V447 WeakPolarHBondContact O-CB 3.47Å; V444-V447 PolarHBondContact O-N 2.86Å; V444-F448 HydrophobicContact CG1-CD2 3.84Å; V444-F448 HydrophobicContact CG1-CE2 3.88Å; V444-F448 WeakPolarHBondContact O-CD2 3.41Å; V444-F448 PolarHBondContact O-N 3.42Å |
| 445 | T | 92.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | -177.6 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | V441 Y442 V447 F448 S449 L568 | V441-T445 HydrophobicContact CG1-CG2 4.2Å; V441-T445 WeakPolarHBondContact O-CG2 3.43Å; V441-T445 PolarHBondContact O-N 2.96Å; V441-T445 PolarHBondContact O-OG1 2.95Å; Y442-T445 WeakPolarHBondContact CA-OG1 3.44Å; Y442-T445 PolarHBondContact O-N 3.5Å; Y442-T445 PolarHBondContact O-OG1 3.41Å; T445-V447 VanDerWaalsContact C-N 3.31Å; T445-V447 PolarHBondContact O-N 2.87Å; T445-F448 PolarHBondContact O-N 2.83Å; T445-S449 WeakPolarHBondContact O-CB 3.38Å; T445-S449 PolarHBondContact O-N 3.44Å; T445-S449 PolarHBondContact O-OG 2.84Å; T445-S449 VanDerWaalsContact O-OG 3.04Å; T445-L568 HydrophobicContact CG2-CD1 3.86Å; T445-L568 HydrophobicContact CG2-CD2 3.89Å; T445-L568 HydrophobicContact CG2-CG 3.51Å |
| 446 | K | 87.8 | Confident | 88.6 | Confident | 101 Ų | 101 | 33.9 Ų | 33.9 | 44% | 0.439 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -35.8 | 175.1 | -176.2 | 177.4 | -166 | 160.7 | 0 | 113.5 | Y442 V444 | Y442-K446 HydrophobicContact CE1-CD 3.99Å; Y442-K446 WeakPolarHBondContact O-CB 3.5Å; Y442-K446 PolarHBondContact O-N 3.5Å; Y442-K446 PolarHBondContact OH-NZ 2.98Å; V444-K446 VanDerWaalsContact C-N 3.27Å; V444-K446 PolarHBondContact O-N 2.97Å |
| 447 | V | 89.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.3 | -43.1 | 175.6 | 163.5 | 0 | 0 | 0 | 0 | 110.6 | L363 I366 Q367 R443 V444 T445 S449 Q450 | L363-V447 HydrophobicContact CD1-CG2 4.29Å; L363-V447 HydrophobicContact CD2-CB 4.17Å; L363-V447 HydrophobicContact CD2-CG1 4.14Å; L363-V447 HydrophobicContact CD2-CG2 4.13Å; I366-V447 HydrophobicContact CD1-CG1 3.94Å; I366-V447 HydrophobicContact CG1-CG1 4.4Å; Q367-V447 HydrophobicContact CG-CG1 3.87Å; Q367-V447 VanDerWaalsContact NE2-CG1 3.31Å; Q367-V447 VanDerWaalsContact OE1-CG2 3.28Å; R443-V447 WeakPolarHBondContact O-CG2 3.31Å; R443-V447 PolarHBondContact O-N 3.27Å; R443-V447 VanDerWaalsContact O-N 3.15Å; V444-V447 WeakPolarHBondContact O-CB 3.47Å; V444-V447 PolarHBondContact O-N 2.86Å; T445-V447 VanDerWaalsContact C-N 3.31Å; T445-V447 PolarHBondContact O-N 2.87Å; V447-S449 VanDerWaalsContact C-N 3.33Å; V447-S449 PolarHBondContact O-N 3.29Å; V447-Q450 WeakPolarHBondContact O-CB 3.37Å; V447-Q450 VanDerWaalsContact O-CG 3.29Å; V447-Q450 WeakPolarHBondContact O-CG 3.31Å; V447-Q450 PolarHBondContact O-N 3.26Å |
| 448 | F | 89.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.5 | -28.4 | 178.4 | -81.8 | -103 | 0 | 0 | 0 | 113 | W362 I366 F420 V444 T445 Q450 F453 L457 L490 F571 | W362-F448 AromaticContact CH2-CE2 3.94Å; W362-F448 HydrophobicContact CH2-CE2 3.94Å; W362-F448 HydrophobicContact CH2-CZ 4.36Å; W362-F448 HydrophobicContact CZ2-CE2 4.3Å; W362-F448 HydrophobicContact CZ2-CZ 4.38Å; I366-F448 HydrophobicContact CD1-CE2 4.19Å; F420-F448 HydrophobicContact CB-CZ 4.27Å; F420-F448 HydrophobicContact CD2-CE1 4.11Å; F420-F448 AromaticContact CD2-CE2 3.81Å; F420-F448 HydrophobicContact CD2-CE2 3.81Å; F420-F448 AromaticContact CD2-CZ 3.57Å; F420-F448 HydrophobicContact CD2-CZ 3.57Å; F420-F448 HydrophobicContact CE2-CD2 4.46Å; F420-F448 HydrophobicContact CE2-CE1 4.36Å; F420-F448 HydrophobicContact CE2-CE2 4.18Å; F420-F448 HydrophobicContact CE2-CZ 4.12Å; F420-F448 HydrophobicContact CG-CE1 4.42Å; F420-F448 HydrophobicContact CG-CZ 4.04Å; V444-F448 HydrophobicContact CG1-CD2 3.84Å; V444-F448 HydrophobicContact CG1-CE2 3.88Å; V444-F448 WeakPolarHBondContact O-CD2 3.41Å; V444-F448 PolarHBondContact O-N 3.42Å; T445-F448 PolarHBondContact O-N 2.83Å; F448-Q450 PolarHBondContact O-N 3.1Å; F448-F453 HydrophobicContact CD1-CD1 4.46Å; F448-F453 AromaticContact CD1-CE1 3.82Å; F448-F453 HydrophobicContact CD1-CE1 3.82Å; F448-F453 HydrophobicContact CD2-CE1 4.47Å; F448-F453 HydrophobicContact CE1-CE1 4.1Å; F448-F453 HydrophobicContact CG-CE1 4.03Å; F448-L457 HydrophobicContact CD1-CD1 4.44Å; F448-L457 HydrophobicContact CE1-CD1 4.3Å; F448-L490 HydrophobicContact CE1-CD2 4.34Å; F448-F571 HydrophobicContact CB-CD2 4.16Å; F448-F571 HydrophobicContact CB-CE2 4.13Å; F448-F571 HydrophobicContact CD1-CE1 4.13Å; F448-F571 HydrophobicContact CD1-CE2 4.09Å; F448-F571 AromaticContact CD1-CZ 3.75Å; F448-F571 HydrophobicContact CD1-CZ 3.75Å; F448-F571 WeakPolarHBondContact O-CD2 3.37Å; F448-F571 VanDerWaalsContact O-CE2 3.28Å; F448-F571 WeakPolarHBondContact O-CE2 3.39Å |
| 449 | S | 85.9 | Confident | 88.3 | Confident | 45 Ų | 45 | 34.7 Ų | 34.7 | 32% | 0.315 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 13.7 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 114.5 | T445 V447 S567 | T445-S449 WeakPolarHBondContact O-CB 3.38Å; T445-S449 PolarHBondContact O-N 3.44Å; T445-S449 PolarHBondContact O-OG 2.84Å; T445-S449 VanDerWaalsContact O-OG 3.04Å; V447-S449 VanDerWaalsContact C-N 3.33Å; V447-S449 PolarHBondContact O-N 3.29Å; S449-S567 WeakPolarHBondContact OG-CB 3.4Å; S449-S567 PolarHBondContact OG-OG 3.42Å |
| 450 | Q | 84 | Confident | 88.2 | Confident | 51 Ų | 51 | 32.9 Ų | 32.9 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -67.3 | 141 | 172.7 | -74.9 | -174.7 | -16 | 0 | 0 | 111.4 | W369 V447 F448 G452 F453 | W369-Q450 VanDerWaalsContact NE1-OE1 3.15Å; V447-Q450 WeakPolarHBondContact O-CB 3.37Å; V447-Q450 VanDerWaalsContact O-CG 3.29Å; V447-Q450 WeakPolarHBondContact O-CG 3.31Å; V447-Q450 PolarHBondContact O-N 3.26Å; F448-Q450 PolarHBondContact O-N 3.1Å; Q450-G452 PolarHBondContact O-N 2.67Å; Q450-F453 HydrophobicContact CB-CB 4.02Å; Q450-F453 WeakPolarHBondContact O-CB 3.36Å; Q450-F453 PolarHBondContact O-N 3.18Å; Q450-F453 VanDerWaalsContact O-N 3.11Å |
| 451 | D | 76.6 | Confident | 87.9 | Confident | 147 Ų | 147 | 34.7 Ų | 34.7 | 79% | 0.786 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131.9 | 177.6 | -58.9 | -43.3 | 0 | 0 | 0 | 110.9 | F453 | D451-F453 PolarHBondContact O-N 3.37Å; D451-F453 VanDerWaalsContact O-N 3.09Å |
| 452 | G | 80.6 | Confident | 87.5 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -14.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q450 M455 L456 | Q450-G452 PolarHBondContact O-N 2.67Å; G452-M455 WeakPolarHBondContact O-CB 3.07Å; G452-M455 PolarHBondContact O-N 2.79Å; G452-L456 PolarHBondContact O-N 2.85Å |
| 453 | F | 86.2 | Confident | 87 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -41.1 | -176 | -175.1 | -120.2 | 0 | 0 | 0 | 113 | W369 L377 Y416 F448 Q450 D451 M455 L456 L457 | W369-F453 AromaticContact CH2-CD2 3.58Å; W369-F453 HydrophobicContact CH2-CD2 3.58Å; W369-F453 AromaticContact CH2-CE2 3.42Å; W369-F453 HydrophobicContact CH2-CE2 3.42Å; W369-F453 VanDerWaalsContact CH2-CE2 3.42Å; W369-F453 HydrophobicContact CH2-CZ 4.34Å; W369-F453 AromaticContact CZ2-CD2 3.95Å; W369-F453 HydrophobicContact CZ2-CD2 3.95Å; W369-F453 HydrophobicContact CZ2-CE2 4.12Å; W369-F453 HydrophobicContact CZ3-CE2 4.33Å; L377-F453 HydrophobicContact CD1-CB 4.2Å; Y416-F453 HydrophobicContact CD1-CE2 4.15Å; Y416-F453 AromaticContact CD1-CZ 3.7Å; Y416-F453 HydrophobicContact CD1-CZ 3.7Å; Y416-F453 AromaticContact CE1-CE2 3.73Å; Y416-F453 HydrophobicContact CE1-CE2 3.73Å; Y416-F453 AromaticContact CE1-CZ 3.64Å; Y416-F453 HydrophobicContact CE1-CZ 3.64Å; F448-F453 HydrophobicContact CD1-CD1 4.46Å; F448-F453 AromaticContact CD1-CE1 3.82Å; F448-F453 HydrophobicContact CD1-CE1 3.82Å; F448-F453 HydrophobicContact CD2-CE1 4.47Å; F448-F453 HydrophobicContact CE1-CE1 4.1Å; F448-F453 HydrophobicContact CG-CE1 4.03Å; Q450-F453 HydrophobicContact CB-CB 4.02Å; Q450-F453 WeakPolarHBondContact O-CB 3.36Å; Q450-F453 PolarHBondContact O-N 3.18Å; Q450-F453 VanDerWaalsContact O-N 3.11Å; D451-F453 PolarHBondContact O-N 3.37Å; D451-F453 VanDerWaalsContact O-N 3.09Å; F453-M455 VanDerWaalsContact C-N 3.27Å; F453-M455 PolarHBondContact O-N 2.79Å; F453-L456 HydrophobicContact CD2-CD2 4.34Å; F453-L456 WeakPolarHBondContact O-CB 3.27Å; F453-L456 PolarHBondContact O-N 3.32Å; F453-L457 HydrophobicContact CD1-CD1 4Å; F453-L457 HydrophobicContact CE1-CD1 3.62Å; F453-L457 HydrophobicContact CE2-CD1 4.2Å; F453-L457 HydrophobicContact CE2-CD2 4.48Å; F453-L457 HydrophobicContact CE2-CG 4.24Å; F453-L457 HydrophobicContact CZ-CD1 3.74Å; F453-L457 HydrophobicContact CZ-CD2 4.41Å; F453-L457 HydrophobicContact CZ-CG 4.23Å; F453-L457 WeakPolarHBondContact O-CG 3.48Å; F453-L457 PolarHBondContact O-N 3.34Å; F453-L457 VanDerWaalsContact O-N 3.08Å |
| 454 | K | 87.6 | Confident | 86.6 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.7 | -44.1 | 171.3 | -179.6 | 172.9 | 173.4 | 171.1 | 0 | 111.6 | L457 L458 W491 E570 F571 | K454-L457 PolarHBondContact O-N 3.46Å; K454-L458 HydrophobicContact CG-CD1 4.2Å; K454-L458 WeakPolarHBondContact O-CG 3.42Å; K454-L458 PolarHBondContact O-N 2.91Å; K454-W491 HydrophobicContact CG-CZ2 4.23Å; K454-E570 PolarHBondContact NZ-O 3.5Å; K454-F571 HydrophobicContact CB-CD2 4.09Å; K454-F571 HydrophobicContact CB-CE2 3.62Å; K454-F571 HydrophobicContact CB-CZ 4.3Å; K454-F571 HydrophobicContact CD-CD2 4.3Å; K454-F571 HydrophobicContact CD-CE2 4.45Å; K454-F571 WeakPolarHBondContact CE-O 3.44Å; K454-F571 HydrophobicContact CG-CD2 4.34Å; K454-F571 HydrophobicContact CG-CE2 4Å; K454-F571 HydrophobicContact CG-CZ 4.32Å; K454-F571 PolarHBondContact NZ-O 2.94Å |
| 455 | M | 85.1 | Confident | 85.8 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 29% | 0.286 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.3 | -37.8 | -178.8 | -163.7 | 65.1 | -166.1 | 0 | 0 | 112.1 | L394 G452 F453 L457 L458 N459 | L394-M455 HydrophobicContact CD1-CE 3.75Å; L394-M455 HydrophobicContact CD2-CE 3.45Å; L394-M455 VanDerWaalsContact CD2-CE 3.45Å; L394-M455 HydrophobicContact CG-CE 4.19Å; G452-M455 WeakPolarHBondContact O-CB 3.07Å; G452-M455 PolarHBondContact O-N 2.79Å; F453-M455 VanDerWaalsContact C-N 3.27Å; F453-M455 PolarHBondContact O-N 2.79Å; M455-L457 VanDerWaalsContact C-N 3.34Å; M455-L457 PolarHBondContact O-N 2.9Å; M455-L458 PolarHBondContact O-N 3.13Å; M455-L458 HydrophobicContact SD-CD1 4.36Å; M455-N459 WeakPolarHBondContact O-CB 3.35Å; M455-N459 VanDerWaalsContact O-CG 3.25Å; M455-N459 PolarHBondContact O-N 3.16Å; M455-N459 PolarHBondContact O-ND2 3.15Å |
| 456 | L | 86.4 | Confident | 85 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 174.1 | -173.8 | 66 | 0 | 0 | 0 | 111 | W369 L377 Y402 W405 L406 V409 G452 F453 N459 T460 | W369-L456 HydrophobicContact CZ3-CD2 4.5Å; L377-L456 HydrophobicContact CD2-CD2 4.06Å; Y402-L456 HydrophobicContact CD2-CD1 4.5Å; Y402-L456 HydrophobicContact CE2-CD1 3.89Å; W405-L456 HydrophobicContact CB-CD1 4.25Å; W405-L456 HydrophobicContact CB-CD2 4.24Å; L406-L456 HydrophobicContact CB-CD1 4.05Å; L406-L456 HydrophobicContact CD1-CD1 3.98Å; V409-L456 HydrophobicContact CG2-CD2 3.62Å; V409-L456 HydrophobicContact CG2-CG 4.05Å; G452-L456 PolarHBondContact O-N 2.85Å; F453-L456 HydrophobicContact CD2-CD2 4.34Å; F453-L456 WeakPolarHBondContact O-CB 3.27Å; F453-L456 PolarHBondContact O-N 3.32Å; L456-N459 PolarHBondContact O-N 2.81Å; L456-T460 PolarHBondContact O-N 2.93Å; L456-T460 PolarHBondContact O-OG1 3.1Å; L456-T460 VanDerWaalsContact O-OG1 3.11Å |
| 457 | L | 89.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 178.9 | -69.8 | 168.9 | 0 | 0 | 0 | 112.7 | V409 Y416 F448 F453 K454 M455 N459 T460 E461 L490 W491 F571 | V409-L457 HydrophobicContact CG1-CD2 3.84Å; Y416-L457 HydrophobicContact CD1-CD2 3.76Å; Y416-L457 HydrophobicContact CE1-CD2 4.47Å; Y416-L457 HydrophobicContact CG-CD2 3.85Å; F448-L457 HydrophobicContact CD1-CD1 4.44Å; F448-L457 HydrophobicContact CE1-CD1 4.3Å; F453-L457 HydrophobicContact CD1-CD1 4Å; F453-L457 HydrophobicContact CE1-CD1 3.62Å; F453-L457 HydrophobicContact CE2-CD1 4.2Å; F453-L457 HydrophobicContact CE2-CD2 4.48Å; F453-L457 HydrophobicContact CE2-CG 4.24Å; F453-L457 HydrophobicContact CZ-CD1 3.74Å; F453-L457 HydrophobicContact CZ-CD2 4.41Å; F453-L457 HydrophobicContact CZ-CG 4.23Å; F453-L457 WeakPolarHBondContact O-CG 3.48Å; F453-L457 PolarHBondContact O-N 3.34Å; F453-L457 VanDerWaalsContact O-N 3.08Å; K454-L457 PolarHBondContact O-N 3.46Å; M455-L457 VanDerWaalsContact C-N 3.34Å; M455-L457 PolarHBondContact O-N 2.9Å; L457-N459 VanDerWaalsContact C-N 3.32Å; L457-N459 PolarHBondContact O-N 3.3Å; L457-T460 PolarHBondContact O-N 3.39Å; L457-E461 WeakPolarHBondContact O-CB 3.42Å; L457-E461 PolarHBondContact O-N 3.18Å; L457-L490 HydrophobicContact CD1-CD2 3.82Å; L457-W491 HydrophobicContact CB-CH2 3.86Å; L457-W491 HydrophobicContact CB-CZ3 4.26Å; L457-F571 HydrophobicContact CD1-CZ 3.99Å |
| 458 | L | 88.4 | Confident | 82.7 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.6 | -44.7 | 175.1 | -75.9 | 169.5 | 0 | 0 | 0 | 111.6 | K454 M455 E461 K462 W491 | K454-L458 HydrophobicContact CG-CD1 4.2Å; K454-L458 WeakPolarHBondContact O-CG 3.42Å; K454-L458 PolarHBondContact O-N 2.91Å; M455-L458 PolarHBondContact O-N 3.13Å; M455-L458 HydrophobicContact SD-CD1 4.36Å; L458-E461 PolarHBondContact O-N 3.45Å; L458-K462 PolarHBondContact O-N 3.13Å; L458-W491 HydrophobicContact CB-CH2 4.28Å; L458-W491 HydrophobicContact CB-CZ3 4.49Å; L458-W491 HydrophobicContact CD1-CZ2 4.48Å; L458-W491 HydrophobicContact CD2-CD2 3.9Å; L458-W491 HydrophobicContact CD2-CE3 3.72Å; L458-W491 HydrophobicContact CD2-CH2 3.42Å; L458-W491 VanDerWaalsContact CD2-CH2 3.42Å; L458-W491 HydrophobicContact CD2-CZ2 3.57Å; L458-W491 HydrophobicContact CD2-CZ3 3.49Å; L458-W491 VanDerWaalsContact CD2-CZ3 3.49Å; L458-W491 HydrophobicContact CG-CH2 3.42Å; L458-W491 VanDerWaalsContact CG-CH2 3.42Å; L458-W491 HydrophobicContact CG-CZ2 3.73Å; L458-W491 HydrophobicContact CG-CZ3 3.88Å |
| 459 | N | 87.1 | Confident | 81.1 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70 | -37.4 | -179.5 | -73.5 | -26.9 | 0 | 0 | 0 | 112.2 | L394 Y402 L406 M455 L456 L457 K462 I463 | L394-N459 WeakPolarHBondContact CD1-OD1 3.42Å; Y402-N459 PolarHBondContact OH-ND2 2.99Å; L406-N459 HydrophobicContact CD1-CB 3.82Å; M455-N459 WeakPolarHBondContact O-CB 3.35Å; M455-N459 VanDerWaalsContact O-CG 3.25Å; M455-N459 PolarHBondContact O-N 3.16Å; M455-N459 PolarHBondContact O-ND2 3.15Å; L456-N459 PolarHBondContact O-N 2.81Å; L457-N459 VanDerWaalsContact C-N 3.32Å; L457-N459 PolarHBondContact O-N 3.3Å; N459-K462 PolarHBondContact O-N 3.03Å; N459-I463 WeakPolarHBondContact O-CG1 3.49Å; N459-I463 PolarHBondContact O-N 3.49Å; N459-I463 VanDerWaalsContact O-N 3.1Å |
| 460 | T | 88.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 172.7 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | L406 V409 A410 Y413 L456 L457 K462 I463 L464 | L406-T460 WeakPolarHBondContact CD1-OG1 3.31Å; V409-T460 HydrophobicContact CG1-CG2 4.05Å; V409-T460 WeakPolarHBondContact CG1-OG1 3.32Å; A410-T460 VanDerWaalsContact CA-CG2 3.43Å; A410-T460 HydrophobicContact CB-CG2 3.82Å; Y413-T460 HydrophobicContact CD2-CG2 3.6Å; Y413-T460 HydrophobicContact CE2-CG2 4.12Å; Y413-T460 HydrophobicContact CG-CG2 4.33Å; L456-T460 PolarHBondContact O-N 2.93Å; L456-T460 PolarHBondContact O-OG1 3.1Å; L456-T460 VanDerWaalsContact O-OG1 3.11Å; L457-T460 PolarHBondContact O-N 3.39Å; T460-K462 VanDerWaalsContact C-N 3.3Å; T460-K462 PolarHBondContact O-N 2.82Å; T460-I463 PolarHBondContact O-N 3.41Å; T460-I463 VanDerWaalsContact O-N 3.16Å; T460-L464 HydrophobicContact CG2-CD1 3.88Å; T460-L464 HydrophobicContact CG2-CG 4.3Å; T460-L464 WeakPolarHBondContact O-CG 3.3Å; T460-L464 PolarHBondContact O-N 2.92Å |
| 461 | E | 87.4 | Confident | 77.7 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.2 | -44.2 | -179.9 | -171.1 | 165.5 | 153.4 | 0 | 0 | 111.1 | Y413 L457 L458 I463 L464 S465 G489 L490 W491 | Y413-E461 HydrophobicContact CE2-CB 4.47Å; Y413-E461 PolarHBondContact OH-OE2 3.47Å; L457-E461 WeakPolarHBondContact O-CB 3.42Å; L457-E461 PolarHBondContact O-N 3.18Å; L458-E461 PolarHBondContact O-N 3.45Å; E461-I463 PolarHBondContact O-N 3.43Å; E461-L464 PolarHBondContact O-N 3.45Å; E461-S465 PolarHBondContact O-N 3.31Å; E461-S465 PolarHBondContact O-OG 2.91Å; E461-S465 VanDerWaalsContact O-OG 3.08Å; E461-G489 VanDerWaalsContact OE1-CA 3.28Å; E461-G489 WeakPolarHBondContact OE1-CA 3Å; E461-L490 PolarHBondContact OE2-N 2.75Å; E461-L490 VanDerWaalsContact OE2-N 3.16Å; E461-W491 WeakPolarHBondContact OE2-CZ3 3.4Å |
| 462 | K | 85.2 | Confident | 76.1 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 174.1 | -176.5 | 178.6 | 174.2 | -177.9 | 0 | 112.9 | L458 N459 T460 S465 E466 | L458-K462 PolarHBondContact O-N 3.13Å; N459-K462 PolarHBondContact O-N 3.03Å; T460-K462 VanDerWaalsContact C-N 3.3Å; T460-K462 PolarHBondContact O-N 2.82Å; K462-S465 PolarHBondContact O-N 2.84Å; K462-E466 WeakPolarHBondContact CE-OE1 3.48Å; K462-E466 WeakPolarHBondContact O-CG 3.38Å; K462-E466 PolarHBondContact O-N 3.34Å |
| 463 | I | 83.1 | Confident | 74.2 | Confident | 51 Ų | 51 | 62 Ų | 62 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 178.2 | -71 | 168.1 | 0 | 0 | 0 | 111.2 | L406 N459 T460 E461 S465 E466 Q467 | L406-I463 HydrophobicContact CD1-CD1 4.16Å; L406-I463 HydrophobicContact CD2-CD1 3.45Å; L406-I463 VanDerWaalsContact CD2-CD1 3.45Å; L406-I463 HydrophobicContact CG-CD1 3.83Å; N459-I463 WeakPolarHBondContact O-CG1 3.49Å; N459-I463 PolarHBondContact O-N 3.49Å; N459-I463 VanDerWaalsContact O-N 3.1Å; T460-I463 PolarHBondContact O-N 3.41Å; T460-I463 VanDerWaalsContact O-N 3.16Å; E461-I463 PolarHBondContact O-N 3.43Å; I463-S465 VanDerWaalsContact C-N 3.35Å; I463-E466 PolarHBondContact O-N 3.2Å; I463-Q467 WeakPolarHBondContact O-CG 3.39Å; I463-Q467 PolarHBondContact O-N 3.49Å |
| 464 | L | 83 | Confident | 72 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 20% | 0.199 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 178.9 | -68.5 | 174.3 | 0 | 0 | 0 | 111.5 | Y413 T460 E461 Q467 Q468 | Y413-L464 HydrophobicContact CD1-CD1 3.71Å; Y413-L464 HydrophobicContact CD2-CD1 4.11Å; Y413-L464 HydrophobicContact CE1-CD1 4.28Å; Y413-L464 HydrophobicContact CG-CD1 3.61Å; T460-L464 HydrophobicContact CG2-CD1 3.88Å; T460-L464 HydrophobicContact CG2-CG 4.3Å; T460-L464 WeakPolarHBondContact O-CG 3.3Å; T460-L464 PolarHBondContact O-N 2.92Å; E461-L464 PolarHBondContact O-N 3.45Å; L464-Q467 PolarHBondContact O-N 3.44Å; L464-Q468 WeakPolarHBondContact O-CG 3.33Å; L464-Q468 PolarHBondContact O-N 3.19Å |
| 465 | S | 77.9 | Confident | 69.3 | Low | 33 Ų | 33 | 71 Ų | 71 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 173.6 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | E461 K462 I463 Q467 Q468 H469 | E461-S465 PolarHBondContact O-N 3.31Å; E461-S465 PolarHBondContact O-OG 2.91Å; E461-S465 VanDerWaalsContact O-OG 3.08Å; K462-S465 PolarHBondContact O-N 2.84Å; I463-S465 VanDerWaalsContact C-N 3.35Å; S465-Q467 VanDerWaalsContact C-N 3.35Å; S465-Q467 PolarHBondContact O-N 3.45Å; S465-Q468 PolarHBondContact O-N 3.29Å; S465-H469 PolarHBondContact O-CD2 3.45Å; S465-H469 PolarHBondContact O-N 3.1Å |
| 466 | E | 76.9 | Confident | 67.1 | Low | 98 Ų | 98 | 74.5 Ų | 74.5 | 46% | 0.458 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 176.9 | -74.1 | 172.2 | -174.4 | 0 | 0 | 112.4 | K462 I463 H469 Q470 | K462-E466 WeakPolarHBondContact CE-OE1 3.48Å; K462-E466 WeakPolarHBondContact O-CG 3.38Å; K462-E466 PolarHBondContact O-N 3.34Å; I463-E466 PolarHBondContact O-N 3.2Å; E466-H469 PolarHBondContact O-N 3.15Å; E466-Q470 PolarHBondContact O-N 3.45Å |
| 467 | Q | 67.9 | Low | 64.5 | Low | 69 Ų | 69 | 80.1 Ų | 80.1 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.3 | -74.4 | 179.3 | -4.8 | 0 | 0 | 112.8 | I463 L464 S465 Q470 H471 | I463-Q467 WeakPolarHBondContact O-CG 3.39Å; I463-Q467 PolarHBondContact O-N 3.49Å; L464-Q467 PolarHBondContact O-N 3.44Å; S465-Q467 VanDerWaalsContact C-N 3.35Å; S465-Q467 PolarHBondContact O-N 3.45Å; Q467-Q470 PolarHBondContact O-N 2.92Å; Q467-H471 PolarHBondContact O-CD2 3.4Å |
| 468 | Q | 60 | Low | 61.7 | Low | 96 Ų | 96 | 86.2 Ų | 86.2 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 175.9 | -73.8 | 179.9 | -26.9 | 0 | 0 | 111.8 | L464 S465 Q470 H471 | L464-Q468 WeakPolarHBondContact O-CG 3.33Å; L464-Q468 PolarHBondContact O-N 3.19Å; S465-Q468 PolarHBondContact O-N 3.29Å; Q468-Q470 VanDerWaalsContact C-N 3.29Å; Q468-Q470 PolarHBondContact O-N 2.94Å; Q468-H471 PolarHBondContact O-N 2.83Å |
| 469 | H | 55.8 | Low | 59.4 | Low | 102 Ų | 102 | 89.5 Ų | 89.5 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -26.3 | 179 | -73.5 | -49.7 | 0 | 0 | 0 | 114.5 | S465 E466 H471 T485 | S465-H469 PolarHBondContact O-CD2 3.45Å; S465-H469 PolarHBondContact O-N 3.1Å; E466-H469 PolarHBondContact O-N 3.15Å; H469-H471 VanDerWaalsContact C-N 3.34Å; H469-T485 VanDerWaalsContact NE2-CG2 3.32Å; H469-T485 WeakPolarHBondContact NE2-CG2 3.11Å |
| 470 | Q | 50.7 | Low | 56.7 | Low | 156 Ų | 156 | 91.6 Ų | 91.6 | 73% | 0.729 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.8 | -25.2 | 176.3 | -70.9 | -179.2 | -0.2 | 0 | 0 | 113 | E466 Q467 Q468 | E466-Q470 PolarHBondContact O-N 3.45Å; Q467-Q470 PolarHBondContact O-N 2.92Å; Q468-Q470 VanDerWaalsContact C-N 3.29Å; Q468-Q470 PolarHBondContact O-N 2.94Å |
| 471 | H | 48.1 | Very low | 54.3 | Low | 119 Ų | 119 | 95.4 Ų | 95.4 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -83 | -29.5 | -178 | -81.7 | -65.1 | 0 | 0 | 0 | 114 | Q467 Q468 H469 G473 | Q467-H471 PolarHBondContact O-CD2 3.4Å; Q468-H471 PolarHBondContact O-N 2.83Å; H469-H471 VanDerWaalsContact C-N 3.34Å; H471-G473 PolarHBondContact O-N 3.31Å; H471-G473 VanDerWaalsContact O-N 3.09Å |
| 472 | D | 43.8 | Very low | 51.5 | Low | 100 Ų | 100 | 101.4 Ų | 101.4 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -69.6 | -4.4 | 177.7 | -78.4 | -16.7 | 0 | 0 | 0 | 113.9 | T474 | D472-T474 VanDerWaalsContact C-N 3.32Å; D472-T474 PolarHBondContact O-N 3.36Å |
| 473 | G | 40.9 | Very low | 48.9 | Very low | 71 Ų | 71 | 105.2 Ų | 105.2 | 73% | 0.732 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -74.5 | -5.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | H471 | H471-G473 PolarHBondContact O-N 3.31Å; H471-G473 VanDerWaalsContact O-N 3.09Å |
| 474 | T | 38.5 | Very low | 46.3 | Very low | 120 Ų | 120 | 109.4 Ų | 109.4 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -111.1 | 1.8 | -169.4 | -30.2 | 0 | 0 | 0 | 0 | 116.3 | D472 | D472-T474 VanDerWaalsContact C-N 3.32Å; D472-T474 PolarHBondContact O-N 3.36Å |
| 475 | L | 32 | Very low | 44.1 | Very low | 142 Ų | 142 | 110 Ų | 110 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | trans | -140 | 118.4 | 165.3 | -97.2 | 101.5 | 0 | 0 | 0 | 111.7 | T477 | L475-T477 PolarHBondContact O-N 3.3Š| ||
| 476 | P | 38.4 | Very low | 41.9 | Very low | 130 Ų | 130 | 116.1 Ų | 116.1 | 84% | 0.844 | 63% | 0.631 | S | S | * | * | trans | -80.1 | 86.2 | 175 | 32.2 | -30.1 | 0 | 0 | 0 | 109.2 | ||||
| 477 | T | 31.8 | Very low | 40.6 | Very low | 118 Ų | 118 | 115 Ų | 115 | 72% | 0.724 | 63% | 0.626 | S | S | * | * | trans | -118.9 | 104.8 | 156.6 | -34.2 | 0 | 0 | 0 | 0 | 108.2 | L475 | L475-T477 PolarHBondContact O-N 3.3Š| ||
| 478 | T | 31.9 | Very low | 40.4 | Very low | 129 Ų | 129 | 115 Ų | 115 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -50 | 142.9 | 178.4 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 479 | T | 39 | Very low | 41.3 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 82% | 0.822 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 90.3 | 29.3 | 163.5 | -18.8 | 0 | 0 | 0 | 0 | 119.9 | ||
| 480 | A | 31.6 | Very low | 42.7 | Very low | 66 Ų | 66 | 105.9 Ų | 105.9 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | trans | -128.3 | -0.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 481 | S | 37.4 | Very low | 44.4 | Very low | 80 Ų | 80 | 101.1 Ų | 101.1 | 56% | 0.559 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -97.8 | 10.5 | -160.2 | 62.7 | 0 | 0 | 0 | 0 | 118.1 | ||
| 482 | E | 28.5 | Very low | 46.2 | Very low | 169 Ų | 169 | 96.1 Ų | 96.1 | 79% | 0.79 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -114.2 | -12 | 173.4 | -78.9 | 177.8 | 168.6 | 0 | 0 | 113.8 | ||
| 483 | Y | 29.2 | Very low | 48.1 | Very low | 189 Ų | 189 | 95.8 Ų | 95.8 | 74% | 0.741 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -95.7 | -13 | -171.7 | -80 | -84 | 0 | 0 | 0 | 115.6 | Q487 | Y483-Q487 PolarHBondContact O-NE2 3.25Š|
| 484 | Q | 28.6 | Very low | 50.3 | Low | 139 Ų | 139 | 93 Ų | 93 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -91 | -25.7 | -176.5 | -67.2 | -171.4 | 3.1 | 0 | 0 | 113.9 | E486 Q487 | Q484-E486 VanDerWaalsContact C-N 3.32Å; Q484-E486 PolarHBondContact O-N 2.84Å; Q484-Q487 PolarHBondContact O-N 2.9Å |
| 485 | T | 36.8 | Very low | 52.7 | Low | 49 Ų | 49 | 87.3 Ų | 87.3 | 30% | 0.301 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.3 | -171.9 | -30.6 | 0 | 0 | 0 | 0 | 114.3 | H469 | H469-T485 VanDerWaalsContact NE2-CG2 3.32Å; H469-T485 WeakPolarHBondContact NE2-CG2 3.11Å |
| 486 | E | 31.8 | Very low | 55.5 | Low | 163 Ų | 163 | 82.9 Ų | 82.9 | 76% | 0.762 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -3.7 | -177.4 | -67.1 | -171.5 | 160.6 | 0 | 0 | 114.5 | Q484 N492 | Q484-E486 VanDerWaalsContact C-N 3.32Å; Q484-E486 PolarHBondContact O-N 2.84Å; E486-N492 PolarHBondContact O-ND2 2.84Å; E486-N492 VanDerWaalsContact O-ND2 3.07Å |
| 487 | Q | 49.2 | Very low | 57.9 | Low | 75 Ų | 75 | 78.7 Ų | 78.7 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -97.1 | -0.6 | -158.6 | -67.9 | -170.4 | 11.6 | 0 | 0 | 118 | L245 Y483 Q484 N492 | L245-Q487 WeakPolarHBondContact CD2-O 3.12Å; Y483-Q487 PolarHBondContact O-NE2 3.25Å; Q484-Q487 PolarHBondContact O-N 2.9Å; Q487-N492 PolarHBondContact O-ND2 3.17Å |
| 488 | S | 64.3 | Low | 60.7 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 47% | 0.469 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -141.2 | 17.5 | -174 | 64.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 489 | G | 80 | Confident | 63.7 | Low | 7 Ų | 7 | 67.3 Ų | 67.3 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -89 | 168.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E461 W491 N492 I495 | E461-G489 VanDerWaalsContact OE1-CA 3.28Å; E461-G489 WeakPolarHBondContact OE1-CA 3Å; G489-W491 VanDerWaalsContact C-N 3.27Å; G489-W491 PolarHBondContact O-N 3.37Å; G489-N492 VanDerWaalsContact O-CB 3.29Å; G489-N492 WeakPolarHBondContact O-CB 3.37Å; G489-N492 PolarHBondContact O-N 2.76Å; G489-I495 WeakPolarHBondContact O-CD1 3.3Å |
| 490 | L | 85.1 | Confident | 66.2 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.3 | 173.7 | -174.6 | 63.9 | 0 | 0 | 0 | 111.8 | Y413 V417 F420 F448 L457 E461 N492 I495 F571 F572 | Y413-L490 PolarHBondContact OH-N 3.24Å; Y413-L490 VanDerWaalsContact OH-N 3.12Å; V417-L490 HydrophobicContact CG2-CB 4.06Å; V417-L490 HydrophobicContact CG2-CD1 4.49Å; F420-L490 HydrophobicContact CD1-CD1 3.65Å; F420-L490 HydrophobicContact CE1-CD1 4.17Å; F420-L490 HydrophobicContact CG-CD1 4.33Å; F448-L490 HydrophobicContact CE1-CD2 4.34Å; L457-L490 HydrophobicContact CD1-CD2 3.82Å; E461-L490 PolarHBondContact OE2-N 2.75Å; E461-L490 VanDerWaalsContact OE2-N 3.16Å; L490-N492 VanDerWaalsContact C-N 3.27Å; L490-N492 PolarHBondContact O-N 2.94Å; L490-I495 HydrophobicContact CD1-CD1 4.44Å; L490-I495 WeakPolarHBondContact O-CG2 3.45Å; L490-F571 HydrophobicContact CD2-CE1 3.83Å; L490-F571 HydrophobicContact CD2-CZ 4Å; L490-F572 HydrophobicContact CG-CE1 4.37Å; L490-F572 HydrophobicContact CG-CZ 4.43Å |
| 491 | W | 85.8 | Confident | 69.1 | Low | 57 Ų | 57 | 66.1 Ų | 66.1 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 20.3 | 177.1 | -68.8 | -88.7 | 0 | 0 | 0 | 113.3 | K454 L457 L458 E461 G489 I496 F571 | K454-W491 HydrophobicContact CG-CZ2 4.23Å; L457-W491 HydrophobicContact CB-CH2 3.86Å; L457-W491 HydrophobicContact CB-CZ3 4.26Å; L458-W491 HydrophobicContact CB-CH2 4.28Å; L458-W491 HydrophobicContact CB-CZ3 4.49Å; L458-W491 HydrophobicContact CD1-CZ2 4.48Å; L458-W491 HydrophobicContact CD2-CD2 3.9Å; L458-W491 HydrophobicContact CD2-CE3 3.72Å; L458-W491 HydrophobicContact CD2-CH2 3.42Å; L458-W491 VanDerWaalsContact CD2-CH2 3.42Å; L458-W491 HydrophobicContact CD2-CZ2 3.57Å; L458-W491 HydrophobicContact CD2-CZ3 3.49Å; L458-W491 VanDerWaalsContact CD2-CZ3 3.49Å; L458-W491 HydrophobicContact CG-CH2 3.42Å; L458-W491 VanDerWaalsContact CG-CH2 3.42Å; L458-W491 HydrophobicContact CG-CZ2 3.73Å; L458-W491 HydrophobicContact CG-CZ3 3.88Å; E461-W491 WeakPolarHBondContact OE2-CZ3 3.4Å; G489-W491 VanDerWaalsContact C-N 3.27Å; G489-W491 PolarHBondContact O-N 3.37Å; W491-I496 VanDerWaalsContact O-CD1 3.3Å; W491-I496 WeakPolarHBondContact O-CD1 3.36Å; W491-F571 HydrophobicContact CZ2-CE1 4.19Å; W491-F571 HydrophobicContact CZ2-CZ 4.33Å |
| 492 | N | 84.8 | Confident | 71.8 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 8% | 0.075 | 31% | 0.307 | C | S | . | . | trans | -63.2 | 142.4 | 174.2 | -177.1 | -69.6 | 0 | 0 | 0 | 111.4 | L245 E486 Q487 G489 L490 V494 I495 I496 | L245-N492 HydrophobicContact CD2-CB 4.28Å; E486-N492 PolarHBondContact O-ND2 2.84Å; E486-N492 VanDerWaalsContact O-ND2 3.07Å; Q487-N492 PolarHBondContact O-ND2 3.17Å; G489-N492 VanDerWaalsContact O-CB 3.29Å; G489-N492 WeakPolarHBondContact O-CB 3.37Å; G489-N492 PolarHBondContact O-N 2.76Å; L490-N492 VanDerWaalsContact C-N 3.27Å; L490-N492 PolarHBondContact O-N 2.94Å; N492-V494 PolarHBondContact O-N 2.97Å; N492-V494 VanDerWaalsContact O-N 3.12Å; N492-V494 VanDerWaalsContact OD1-CB 3.28Å; N492-V494 WeakPolarHBondContact OD1-CB 3.43Å; N492-V494 VanDerWaalsContact OD1-CG2 3.32Å; N492-V494 WeakPolarHBondContact OD1-CG2 3.3Å; N492-V494 PolarHBondContact OD1-N 2.63Å; N492-I495 PolarHBondContact O-N 2.92Å; N492-I496 PolarHBondContact O-N 2.82Å | ||
| 493 | P | 85.3 | Confident | 74.9 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -52.4 | -32.7 | 176.8 | -28.6 | 34.9 | 0 | 0 | 0 | 115.3 | S497 | P493-S497 VanDerWaalsContact O-CB 3.32Å; P493-S497 WeakPolarHBondContact O-CB 3.45Å; P493-S497 PolarHBondContact O-N 3.02Å; P493-S497 PolarHBondContact O-OG 3.28Å |
| 494 | V | 86.7 | Confident | 78 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | L245 N492 S497 T498 | L245-V494 HydrophobicContact CD2-CB 4.43Å; N492-V494 PolarHBondContact O-N 2.97Å; N492-V494 VanDerWaalsContact O-N 3.12Å; N492-V494 VanDerWaalsContact OD1-CB 3.28Å; N492-V494 WeakPolarHBondContact OD1-CB 3.43Å; N492-V494 VanDerWaalsContact OD1-CG2 3.32Å; N492-V494 WeakPolarHBondContact OD1-CG2 3.3Å; N492-V494 PolarHBondContact OD1-N 2.63Å; V494-S497 WeakPolarHBondContact CA-OG 3.36Å; V494-S497 PolarHBondContact O-OG 2.96Å; V494-T498 WeakPolarHBondContact O-CB 3.4Å; V494-T498 PolarHBondContact O-N 2.69Å; V494-T498 VanDerWaalsContact O-N 3.14Å; V494-T498 PolarHBondContact O-OG1 2.87Å |
| 495 | I | 89 | Confident | 81 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71 | -46.7 | 177 | -62.7 | 179.7 | 0 | 0 | 0 | 109.4 | V417 F420 L421 L424 G489 L490 N492 S497 T498 V499 F572 | V417-I495 HydrophobicContact CG1-CD1 3.61Å; F420-I495 HydrophobicContact CD1-CG2 4.12Å; F420-I495 HydrophobicContact CE1-CG2 3.99Å; L421-I495 HydrophobicContact CB-CG1 4.42Å; L421-I495 HydrophobicContact CD1-CG1 4.25Å; L424-I495 HydrophobicContact CD1-CG2 4.16Å; G489-I495 WeakPolarHBondContact O-CD1 3.3Å; L490-I495 HydrophobicContact CD1-CD1 4.44Å; L490-I495 WeakPolarHBondContact O-CG2 3.45Å; N492-I495 PolarHBondContact O-N 2.92Å; I495-S497 PolarHBondContact O-N 3.07Å; I495-T498 CarbonylContact O-C 3.56Å; I495-T498 WeakPolarHBondContact O-CA 3.08Å; I495-T498 WeakPolarHBondContact O-CB 2.88Å; I495-T498 PolarHBondContact O-N 2.71Å; I495-T498 VanDerWaalsContact O-N 3.07Å; I495-V499 HydrophobicContact CG2-CG2 4.28Å; I495-V499 WeakPolarHBondContact O-CG2 3.4Å; I495-V499 PolarHBondContact O-N 3.49Å; I495-F572 HydrophobicContact CG2-CE1 4.39Å; I495-F572 HydrophobicContact CG2-CZ 4.46Å |
| 496 | I | 89.7 | Confident | 83.8 | Confident | 49 Ų | 49 | 42.5 Ų | 42.5 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.7 | -50.1 | 179.4 | -64.9 | 172.4 | 0 | 0 | 0 | 111 | W491 N492 T498 V499 E500 F572 | W491-I496 VanDerWaalsContact O-CD1 3.3Å; W491-I496 WeakPolarHBondContact O-CD1 3.36Å; N492-I496 PolarHBondContact O-N 2.82Å; I496-T498 VanDerWaalsContact C-N 3.26Å; I496-T498 PolarHBondContact O-N 3.34Å; I496-V499 WeakPolarHBondContact O-CA 3.22Å; I496-V499 WeakPolarHBondContact O-CB 3.36Å; I496-V499 PolarHBondContact O-N 3.2Å; I496-E500 WeakPolarHBondContact O-CG 3.3Å; I496-E500 PolarHBondContact O-N 2.95Å; I496-F572 HydrophobicContact CG1-CD1 4.49Å |
| 497 | S | 89.7 | Confident | 86.7 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -33.5 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | P493 V494 I495 R501 | P493-S497 VanDerWaalsContact O-CB 3.32Å; P493-S497 WeakPolarHBondContact O-CB 3.45Å; P493-S497 PolarHBondContact O-N 3.02Å; P493-S497 PolarHBondContact O-OG 3.28Å; V494-S497 WeakPolarHBondContact CA-OG 3.36Å; V494-S497 PolarHBondContact O-OG 2.96Å; I495-S497 PolarHBondContact O-N 3.07Å; S497-R501 PolarHBondContact O-N 3.29Å; S497-R501 VanDerWaalsContact O-N 3.11Å |
| 498 | T | 91.4 | Very high | 88.8 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.7 | -39.4 | 173.6 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | L421 L424 Q425 V494 I495 I496 R501 V502 | L421-T498 HydrophobicContact CD1-CG2 4.22Å; L424-T498 HydrophobicContact CB-CG2 3.57Å; L424-T498 HydrophobicContact CD1-CG2 4.26Å; Q425-T498 HydrophobicContact CG-CG2 4.31Å; V494-T498 WeakPolarHBondContact O-CB 3.4Å; V494-T498 PolarHBondContact O-N 2.69Å; V494-T498 VanDerWaalsContact O-N 3.14Å; V494-T498 PolarHBondContact O-OG1 2.87Å; I495-T498 CarbonylContact O-C 3.56Å; I495-T498 WeakPolarHBondContact O-CA 3.08Å; I495-T498 WeakPolarHBondContact O-CB 2.88Å; I495-T498 PolarHBondContact O-N 2.71Å; I495-T498 VanDerWaalsContact O-N 3.07Å; I496-T498 VanDerWaalsContact C-N 3.26Å; I496-T498 PolarHBondContact O-N 3.34Å; T498-R501 PolarHBondContact O-N 3.33Å; T498-V502 WeakPolarHBondContact O-CG2 3.38Å; T498-V502 PolarHBondContact O-N 3.26Å |
| 499 | V | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 174 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | F420 L424 I495 I496 R501 V502 L503 F572 I574 | F420-V499 HydrophobicContact CE1-CG2 4.25Å; F420-V499 HydrophobicContact CZ-CG2 4.49Å; L424-V499 HydrophobicContact CD1-CG2 3.46Å; L424-V499 VanDerWaalsContact CD1-CG2 3.46Å; L424-V499 HydrophobicContact CD2-CG2 4.36Å; I495-V499 HydrophobicContact CG2-CG2 4.28Å; I495-V499 WeakPolarHBondContact O-CG2 3.4Å; I495-V499 PolarHBondContact O-N 3.49Å; I496-V499 WeakPolarHBondContact O-CA 3.22Å; I496-V499 WeakPolarHBondContact O-CB 3.36Å; I496-V499 PolarHBondContact O-N 3.2Å; V499-R501 VanDerWaalsContact C-N 3.32Å; V499-R501 PolarHBondContact O-N 3.46Å; V499-V502 WeakPolarHBondContact O-CB 3.42Å; V499-V502 PolarHBondContact O-N 3.13Å; V499-V502 VanDerWaalsContact O-N 3.14Å; V499-L503 HydrophobicContact CG1-CD1 4.03Å; V499-L503 HydrophobicContact CG1-CG 4.29Å; V499-L503 WeakPolarHBondContact O-CG 3.38Å; V499-L503 PolarHBondContact O-N 2.93Å; V499-F572 HydrophobicContact CG1-CD2 3.89Å; V499-F572 HydrophobicContact CG1-CE2 4.36Å; V499-F572 HydrophobicContact CG1-CG 4.38Å; V499-F572 HydrophobicContact CG2-CD2 4.01Å; V499-F572 HydrophobicContact CG2-CE1 4.43Å; V499-F572 HydrophobicContact CG2-CE2 3.75Å; V499-F572 HydrophobicContact CG2-CG 4.47Å; V499-F572 HydrophobicContact CG2-CZ 3.99Å; V499-I574 HydrophobicContact CB-CD1 4.3Å; V499-I574 HydrophobicContact CG1-CD1 3.64Å |
| 500 | E | 92.5 | Very high | 90.7 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.2 | -71.3 | 176.4 | 165.9 | 0 | 0 | 111.8 | I496 V502 L503 N504 I574 | I496-E500 WeakPolarHBondContact O-CG 3.3Å; I496-E500 PolarHBondContact O-N 2.95Å; E500-V502 VanDerWaalsContact C-N 3.34Å; E500-V502 PolarHBondContact O-N 2.9Å; E500-L503 PolarHBondContact O-N 3.33Å; E500-N504 PolarHBondContact O-N 2.89Å; E500-N504 PolarHBondContact O-ND2 3.42Å; E500-I574 HydrophobicContact CG-CD1 4.08Å; E500-I574 HydrophobicContact CG-CG2 4.39Å |
| 501 | R | 92.4 | Very high | 90.9 | Very high | 91 Ų | 91 | 39 Ų | 39 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.8 | -173.2 | 171.8 | 59.3 | -169.7 | -0.7 | 112.1 | M252 T428 S497 T498 V499 C505 | M252-R501 VanDerWaalsContact CE-NH1 3.26Å; T428-R501 HydrophobicContact CG2-CB 4.47Å; T428-R501 HydrophobicContact CG2-CG 3.99Å; S497-R501 PolarHBondContact O-N 3.29Å; S497-R501 VanDerWaalsContact O-N 3.11Å; T498-R501 PolarHBondContact O-N 3.33Å; V499-R501 VanDerWaalsContact C-N 3.32Å; V499-R501 PolarHBondContact O-N 3.46Å; R501-C505 PolarHBondContact O-N 3.19Å; R501-C505 VanDerWaalsContact O-N 3.09Å; R501-C505 PolarHBondContact O-SG 2.8Å |
| 502 | V | 93.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 111 | L424 V427 T428 T498 V499 E500 N504 C505 M506 L568 | L424-V502 HydrophobicContact CB-CG2 4.18Å; L424-V502 HydrophobicContact CD2-CB 4.47Å; L424-V502 HydrophobicContact CD2-CG2 4.04Å; V427-V502 HydrophobicContact CB-CG1 4.44Å; V427-V502 HydrophobicContact CB-CG2 4.1Å; V427-V502 HydrophobicContact CG1-CB 4.45Å; V427-V502 HydrophobicContact CG1-CG1 3.66Å; V427-V502 HydrophobicContact CG1-CG2 4.03Å; T428-V502 HydrophobicContact CG2-CG2 3.53Å; T498-V502 WeakPolarHBondContact O-CG2 3.38Å; T498-V502 PolarHBondContact O-N 3.26Å; V499-V502 WeakPolarHBondContact O-CB 3.42Å; V499-V502 PolarHBondContact O-N 3.13Å; V499-V502 VanDerWaalsContact O-N 3.14Å; E500-V502 VanDerWaalsContact C-N 3.34Å; E500-V502 PolarHBondContact O-N 2.9Å; V502-N504 VanDerWaalsContact C-N 3.34Å; V502-N504 PolarHBondContact O-N 2.81Å; V502-C505 WeakPolarHBondContact O-CB 3.43Å; V502-C505 PolarHBondContact O-N 3.22Å; V502-C505 VanDerWaalsContact O-N 3.16Å; V502-M506 HydrophobicContact CG1-CG 4.26Å; V502-M506 HydrophobicContact CG1-SD 3.85Å; V502-M506 VanDerWaalsContact O-CG 3.31Å; V502-M506 WeakPolarHBondContact O-CG 3.07Å; V502-M506 PolarHBondContact O-N 2.96Å; V502-L568 HydrophobicContact CG1-CD1 4.39Å |
| 503 | L | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 177.1 | -78.1 | 173 | 0 | 0 | 0 | 111.5 | V499 E500 C505 M506 M507 I565 L568 R569 I574 | V499-L503 HydrophobicContact CG1-CD1 4.03Å; V499-L503 HydrophobicContact CG1-CG 4.29Å; V499-L503 WeakPolarHBondContact O-CG 3.38Å; V499-L503 PolarHBondContact O-N 2.93Å; E500-L503 PolarHBondContact O-N 3.33Å; L503-C505 PolarHBondContact O-N 3.36Å; L503-M506 PolarHBondContact O-N 3.43Å; L503-M507 HydrophobicContact CB-CE 4.43Å; L503-M507 WeakPolarHBondContact O-CB 3.3Å; L503-M507 VanDerWaalsContact O-CG 3.32Å; L503-M507 WeakPolarHBondContact O-CG 3.38Å; L503-M507 PolarHBondContact O-N 3.15Å; L503-I565 HydrophobicContact CD2-CB 4.38Å; L503-I565 HydrophobicContact CD2-CG1 4.38Å; L503-I565 HydrophobicContact CD2-CG2 4.22Å; L503-L568 HydrophobicContact CD2-CB 3.84Å; L503-L568 HydrophobicContact CD2-CD1 4.17Å; L503-L568 HydrophobicContact CG-CB 4.43Å; L503-R569 HydrophobicContact CD1-CG 4.01Å; L503-R569 HydrophobicContact CD2-CG 4.2Å; L503-I574 HydrophobicContact CD1-CD1 3.84Å; L503-I574 HydrophobicContact CD1-CG2 4.45Å |
| 504 | N | 93.3 | Very high | 91.4 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.6 | -45 | 176 | -72.1 | -23.4 | 0 | 0 | 0 | 111.6 | E500 V502 M506 M507 V508 | E500-N504 PolarHBondContact O-N 2.89Å; E500-N504 PolarHBondContact O-ND2 3.42Å; V502-N504 VanDerWaalsContact C-N 3.34Å; V502-N504 PolarHBondContact O-N 2.81Å; N504-M506 VanDerWaalsContact C-N 3.34Å; N504-M506 PolarHBondContact O-N 3.33Å; N504-M507 PolarHBondContact O-N 2.84Å; N504-M507 WeakPolarHBondContact OD1-CE 3.28Å; N504-V508 WeakPolarHBondContact O-CG2 3.49Å; N504-V508 PolarHBondContact O-N 3.24Å |
| 505 | C | 93 | Very high | 91.4 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 31% | 0.311 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.9 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | L432 R501 V502 L503 T509 | L432-C505 HydrophobicContact CD1-CB 4.25Å; R501-C505 PolarHBondContact O-N 3.19Å; R501-C505 VanDerWaalsContact O-N 3.09Å; R501-C505 PolarHBondContact O-SG 2.8Å; V502-C505 WeakPolarHBondContact O-CB 3.43Å; V502-C505 PolarHBondContact O-N 3.22Å; V502-C505 VanDerWaalsContact O-N 3.16Å; L503-C505 PolarHBondContact O-N 3.36Å; C505-T509 WeakPolarHBondContact O-CB 3.45Å; C505-T509 PolarHBondContact O-N 2.98Å; C505-T509 PolarHBondContact O-OG1 2.85Å |
| 506 | M | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 178.4 | -68.1 | 175 | 76.9 | 0 | 0 | 112 | L432 V441 V502 L503 N504 T509 K510 L561 I565 L568 | L432-M506 HydrophobicContact CD1-CG 3.81Å; V441-M506 HydrophobicContact CG1-CE 3.64Å; V441-M506 HydrophobicContact CG1-SD 3.83Å; V502-M506 HydrophobicContact CG1-CG 4.26Å; V502-M506 HydrophobicContact CG1-SD 3.85Å; V502-M506 VanDerWaalsContact O-CG 3.31Å; V502-M506 WeakPolarHBondContact O-CG 3.07Å; V502-M506 PolarHBondContact O-N 2.96Å; L503-M506 PolarHBondContact O-N 3.43Å; N504-M506 VanDerWaalsContact C-N 3.34Å; N504-M506 PolarHBondContact O-N 3.33Å; M506-T509 PolarHBondContact O-N 3.24Å; M506-K510 VanDerWaalsContact O-CB 3.29Å; M506-K510 WeakPolarHBondContact O-CB 3.47Å; M506-K510 PolarHBondContact O-N 3.21Å; M506-L561 HydrophobicContact CB-CD2 4.24Å; M506-L561 HydrophobicContact CE-CD2 3.97Å; M506-L561 HydrophobicContact CG-CD2 4.1Å; M506-I565 HydrophobicContact CB-CD1 3.99Å; M506-I565 HydrophobicContact CB-CG1 3.78Å; M506-I565 HydrophobicContact CE-CG1 4.05Å; M506-I565 HydrophobicContact SD-CG1 4.37Å; M506-L568 HydrophobicContact SD-CD1 4.05Å |
| 507 | M | 93 | Very high | 90.7 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -47.3 | 179.3 | -73 | -174.9 | -66.4 | 0 | 0 | 111.9 | L503 N504 T509 K510 G511 I565 R569 | L503-M507 HydrophobicContact CB-CE 4.43Å; L503-M507 WeakPolarHBondContact O-CB 3.3Å; L503-M507 VanDerWaalsContact O-CG 3.32Å; L503-M507 WeakPolarHBondContact O-CG 3.38Å; L503-M507 PolarHBondContact O-N 3.15Å; N504-M507 PolarHBondContact O-N 2.84Å; N504-M507 WeakPolarHBondContact OD1-CE 3.28Å; M507-T509 VanDerWaalsContact C-N 3.34Å; M507-T509 PolarHBondContact O-N 2.87Å; M507-K510 PolarHBondContact O-N 3.46Å; M507-G511 PolarHBondContact O-N 2.87Å; M507-I565 HydrophobicContact CG-CD1 3.8Å; M507-I565 HydrophobicContact CG-CG1 4.31Å; M507-I565 HydrophobicContact CG-CG2 4.49Å; M507-R569 PolarHBondContact SD-NH2 3.42Å |
| 508 | V | 93.1 | Very high | 90.2 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | N504 K510 G511 N512 | N504-V508 WeakPolarHBondContact O-CG2 3.49Å; N504-V508 PolarHBondContact O-N 3.24Å; V508-K510 PolarHBondContact O-N 3.16Å; V508-G511 PolarHBondContact O-N 2.94Å; V508-N512 VanDerWaalsContact O-CG 3.26Å; V508-N512 PolarHBondContact O-N 3.05Å; V508-N512 PolarHBondContact O-ND2 3.47Å |
| 509 | T | 92.6 | Very high | 89.5 | Confident | 14 Ų | 14 | 53 Ų | 53 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.9 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | L432 C505 M506 M507 G511 N512 L513 L561 | L432-T509 HydrophobicContact CB-CG2 3.83Å; C505-T509 WeakPolarHBondContact O-CB 3.45Å; C505-T509 PolarHBondContact O-N 2.98Å; C505-T509 PolarHBondContact O-OG1 2.85Å; M506-T509 PolarHBondContact O-N 3.24Å; M507-T509 VanDerWaalsContact C-N 3.34Å; M507-T509 PolarHBondContact O-N 2.87Å; T509-G511 PolarHBondContact O-N 3.48Å; T509-N512 PolarHBondContact O-N 3.14Å; T509-L513 HydrophobicContact CG2-CD1 4.19Å; T509-L513 WeakPolarHBondContact O-CG 3.32Å; T509-L513 PolarHBondContact O-N 3.45Å; T509-L561 HydrophobicContact CG2-CD1 3.98Å |
| 510 | K | 91.4 | Very high | 88.4 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 21% | 0.213 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -48 | 175.2 | 174 | -177.3 | 165.3 | 171.1 | 0 | 111.2 | M506 M507 V508 N512 L513 Q514 L561 T562 I565 | M506-K510 VanDerWaalsContact O-CB 3.29Å; M506-K510 WeakPolarHBondContact O-CB 3.47Å; M506-K510 PolarHBondContact O-N 3.21Å; M507-K510 PolarHBondContact O-N 3.46Å; V508-K510 PolarHBondContact O-N 3.16Å; K510-N512 VanDerWaalsContact C-N 3.32Å; K510-N512 PolarHBondContact O-N 3.31Å; K510-L513 PolarHBondContact O-N 3.15Å; K510-Q514 HydrophobicContact CG-CG 4.44Å; K510-Q514 WeakPolarHBondContact O-CB 3.49Å; K510-Q514 WeakPolarHBondContact O-CG 3.43Å; K510-Q514 PolarHBondContact O-N 3.41Å; K510-L561 HydrophobicContact CB-CB 4.39Å; K510-L561 HydrophobicContact CB-CD1 4.24Å; K510-T562 VanDerWaalsContact CE-OG1 3.3Å; K510-T562 WeakPolarHBondContact CE-OG1 3.47Å; K510-T562 PolarHBondContact NZ-OG1 3.07Å; K510-I565 HydrophobicContact CD-CD1 4.16Å |
| 511 | G | 90 | Very high | 87.2 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 34% | 0.34 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M507 V508 T509 Q514 S515 | M507-G511 PolarHBondContact O-N 2.87Å; V508-G511 PolarHBondContact O-N 2.94Å; T509-G511 PolarHBondContact O-N 3.48Å; G511-Q514 PolarHBondContact O-N 3.02Å; G511-S515 PolarHBondContact O-N 3.34Å; G511-S515 PolarHBondContact O-OG 3.48Å |
| 512 | N | 91.8 | Very high | 85.9 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.4 | -69.6 | -14.9 | 0 | 0 | 0 | 112.6 | V508 T509 K510 S515 Q516 | V508-N512 VanDerWaalsContact O-CG 3.26Å; V508-N512 PolarHBondContact O-N 3.05Å; V508-N512 PolarHBondContact O-ND2 3.47Å; T509-N512 PolarHBondContact O-N 3.14Å; K510-N512 VanDerWaalsContact C-N 3.32Å; K510-N512 PolarHBondContact O-N 3.31Å; N512-S515 PolarHBondContact O-N 3.48Å; N512-S515 PolarHBondContact O-OG 3.46Å; N512-Q516 VanDerWaalsContact O-CG 3.27Å; N512-Q516 WeakPolarHBondContact O-CG 3.18Å; N512-Q516 PolarHBondContact O-N 2.97Å |
| 513 | L | 88.4 | Confident | 84.6 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 177.7 | -71.9 | 173.7 | 0 | 0 | 0 | 112.3 | T509 K510 Q516 L517 I554 C557 I558 L561 | T509-L513 HydrophobicContact CG2-CD1 4.19Å; T509-L513 WeakPolarHBondContact O-CG 3.32Å; T509-L513 PolarHBondContact O-N 3.45Å; K510-L513 PolarHBondContact O-N 3.15Å; L513-Q516 PolarHBondContact O-N 3.38Å; L513-L517 PolarHBondContact O-N 3.14Å; L513-I554 HydrophobicContact CD2-CG2 4.43Å; L513-C557 HydrophobicContact CD1-CB 4.12Å; L513-I558 HydrophobicContact CB-CD1 4.07Å; L513-I558 HydrophobicContact CB-CG1 3.83Å; L513-I558 HydrophobicContact CD1-CG1 4.31Å; L513-L561 HydrophobicContact CD1-CD1 4.13Å |
| 514 | Q | 87 | Confident | 82.8 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.1 | -74 | -179.8 | -50.3 | 0 | 0 | 111.5 | K510 G511 L517 I518 I558 | K510-Q514 HydrophobicContact CG-CG 4.44Å; K510-Q514 WeakPolarHBondContact O-CB 3.49Å; K510-Q514 WeakPolarHBondContact O-CG 3.43Å; K510-Q514 PolarHBondContact O-N 3.41Å; G511-Q514 PolarHBondContact O-N 3.02Å; Q514-L517 PolarHBondContact O-N 2.96Å; Q514-I518 WeakPolarHBondContact O-CG1 3.42Å; Q514-I518 PolarHBondContact O-N 3.03Å; Q514-I558 HydrophobicContact CG-CD1 4.01Å; Q514-I558 HydrophobicContact CG-CG1 4.43Å; Q514-I558 HydrophobicContact CG-CG2 4.26Å |
| 515 | S | 85.6 | Confident | 81 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.2 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | G511 N512 L517 I518 Q519 | G511-S515 PolarHBondContact O-N 3.34Å; G511-S515 PolarHBondContact O-OG 3.48Å; N512-S515 PolarHBondContact O-N 3.48Å; N512-S515 PolarHBondContact O-OG 3.46Å; S515-L517 PolarHBondContact O-N 3.07Å; S515-I518 PolarHBondContact O-N 3.11Å; S515-Q519 WeakPolarHBondContact O-CB 3.5Å; S515-Q519 VanDerWaalsContact O-CG 3.29Å; S515-Q519 WeakPolarHBondContact O-CG 3.28Å; S515-Q519 PolarHBondContact O-N 3.14Å |
| 516 | Q | 83.6 | Confident | 79.4 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 173 | -74.2 | 173.6 | 21.7 | 0 | 0 | 112.4 | N512 L513 Q519 K520 | N512-Q516 VanDerWaalsContact O-CG 3.27Å; N512-Q516 WeakPolarHBondContact O-CG 3.18Å; N512-Q516 PolarHBondContact O-N 2.97Å; L513-Q516 PolarHBondContact O-N 3.38Å; Q516-Q519 PolarHBondContact O-N 3.42Å; Q516-K520 WeakPolarHBondContact O-CG 3.44Å; Q516-K520 PolarHBondContact O-N 3.37Å |
| 517 | L | 80.4 | Confident | 77.5 | Confident | 53 Ų | 53 | 80 Ų | 80 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 178.4 | -168.7 | 70.2 | 0 | 0 | 0 | 111.6 | L513 Q514 S515 K520 M521 | L513-L517 PolarHBondContact O-N 3.14Å; Q514-L517 PolarHBondContact O-N 2.96Å; S515-L517 PolarHBondContact O-N 3.07Å; L517-K520 PolarHBondContact O-N 3.38Å; L517-M521 PolarHBondContact O-N 3.23Å; L517-M521 VanDerWaalsContact O-N 3.07Å |
| 518 | I | 79.1 | Confident | 75.3 | Confident | 102 Ų | 102 | 78.4 Ų | 78.4 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 175.9 | -66.1 | 165.6 | 0 | 0 | 0 | 110.4 | Q514 S515 K520 M521 D522 | Q514-I518 WeakPolarHBondContact O-CG1 3.42Å; Q514-I518 PolarHBondContact O-N 3.03Å; S515-I518 PolarHBondContact O-N 3.11Å; I518-K520 VanDerWaalsContact C-N 3.34Å; I518-K520 PolarHBondContact O-N 3.33Å; I518-M521 WeakPolarHBondContact O-CB 3.47Å; I518-M521 PolarHBondContact O-N 2.75Å; I518-M521 VanDerWaalsContact O-N 3.11Å; I518-D522 PolarHBondContact O-N 2.71Å |
| 519 | Q | 76.2 | Confident | 73.8 | Confident | 130 Ų | 130 | 84.1 Ų | 84.1 | 61% | 0.607 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | 177.7 | -74.9 | 175.9 | 11.3 | 0 | 0 | 112.8 | S515 Q516 D522 K523 | S515-Q519 WeakPolarHBondContact O-CB 3.5Å; S515-Q519 VanDerWaalsContact O-CG 3.29Å; S515-Q519 WeakPolarHBondContact O-CG 3.28Å; S515-Q519 PolarHBondContact O-N 3.14Å; Q516-Q519 PolarHBondContact O-N 3.42Å; Q519-D522 PolarHBondContact O-N 2.82Å; Q519-K523 WeakPolarHBondContact O-CB 3.4Å; Q519-K523 PolarHBondContact O-N 3.48Å |
| 520 | K | 71.9 | Confident | 72.6 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 34% | 0.339 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 173.5 | -76.7 | -171.9 | -177.6 | -168.6 | 0 | 110.5 | Q516 L517 I518 D522 K523 F524 D551 | Q516-K520 WeakPolarHBondContact O-CG 3.44Å; Q516-K520 PolarHBondContact O-N 3.37Å; L517-K520 PolarHBondContact O-N 3.38Å; I518-K520 VanDerWaalsContact C-N 3.34Å; I518-K520 PolarHBondContact O-N 3.33Å; K520-D522 PolarHBondContact O-N 2.85Å; K520-K523 PolarHBondContact O-N 3.12Å; K520-F524 WeakPolarHBondContact O-CD2 3.43Å; K520-F524 PolarHBondContact O-N 3.44Å; K520-F524 VanDerWaalsContact O-N 3.14Å; K520-D551 IonicContact NZ-OD1 3.46Å; K520-D551 PolarHBondContact NZ-OD1 3.43Å |
| 521 | M | 65.9 | Low | 71.3 | Confident | 123 Ų | 123 | 91.7 Ų | 91.7 | 61% | 0.606 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 179.8 | -168.6 | 65 | -176.6 | 0 | 0 | 112.6 | L517 I518 F524 S525 | L517-M521 PolarHBondContact O-N 3.23Å; L517-M521 VanDerWaalsContact O-N 3.07Å; I518-M521 WeakPolarHBondContact O-CB 3.47Å; I518-M521 PolarHBondContact O-N 2.75Å; I518-M521 VanDerWaalsContact O-N 3.11Å; M521-F524 PolarHBondContact O-N 3.06Å; M521-S525 PolarHBondContact O-N 3.25Å |
| 522 | D | 66.6 | Low | 69.5 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 177.9 | -75.8 | -16.6 | 0 | 0 | 0 | 111.7 | I518 Q519 K520 F524 S525 S526 | I518-D522 PolarHBondContact O-N 2.71Å; Q519-D522 PolarHBondContact O-N 2.82Å; K520-D522 PolarHBondContact O-N 2.85Å; D522-F524 VanDerWaalsContact C-N 3.32Å; D522-F524 PolarHBondContact O-N 3.42Å; D522-S525 PolarHBondContact O-N 2.8Å; D522-S525 VanDerWaalsContact O-N 3.12Å; D522-S525 PolarHBondContact O-OG 3.43Å; D522-S526 PolarHBondContact O-N 2.84Å; D522-S526 PolarHBondContact O-OG 2.8Å |
| 523 | K | 66 | Low | 68.2 | Low | 154 Ų | 154 | 95.3 Ų | 95.3 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.7 | -41.4 | 174.5 | -168.8 | 176.2 | -179.1 | -179.5 | 0 | 111.7 | Q519 K520 S525 S526 | Q519-K523 WeakPolarHBondContact O-CB 3.4Å; Q519-K523 PolarHBondContact O-N 3.48Å; K520-K523 PolarHBondContact O-N 3.12Å; K523-S525 VanDerWaalsContact C-N 3.35Å; K523-S525 PolarHBondContact O-N 3.02Å; K523-S526 PolarHBondContact O-N 3.33Å |
| 524 | F | 55.1 | Low | 67 | Low | 140 Ų | 140 | 99.7 Ų | 99.7 | 61% | 0.614 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -35.3 | 174.5 | -75.7 | -67.3 | 0 | 0 | 0 | 113.2 | K520 M521 D522 S526 | K520-F524 WeakPolarHBondContact O-CD2 3.43Å; K520-F524 PolarHBondContact O-N 3.44Å; K520-F524 VanDerWaalsContact O-N 3.14Å; M521-F524 PolarHBondContact O-N 3.06Å; D522-F524 VanDerWaalsContact C-N 3.32Å; D522-F524 PolarHBondContact O-N 3.42Å; F524-S526 VanDerWaalsContact C-N 3.27Å; F524-S526 PolarHBondContact O-N 3.28Å |
| 525 | S | 56.6 | Low | 65.7 | Low | 59 Ų | 59 | 99.8 Ų | 99.8 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.5 | -25.5 | -179.1 | 81 | 0 | 0 | 0 | 0 | 113.7 | M521 D522 K523 K534 | M521-S525 PolarHBondContact O-N 3.25Å; D522-S525 PolarHBondContact O-N 2.8Å; D522-S525 VanDerWaalsContact O-N 3.12Å; D522-S525 PolarHBondContact O-OG 3.43Å; K523-S525 VanDerWaalsContact C-N 3.35Å; K523-S525 PolarHBondContact O-N 3.02Å; S525-K534 PolarHBondContact O-NZ 2.86Å |
| 526 | S | 59 | Low | 64.4 | Low | 92 Ų | 92 | 99.9 Ų | 99.9 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -81.9 | -27.6 | -173.6 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | D522 K523 F524 S528 | D522-S526 PolarHBondContact O-N 2.84Å; D522-S526 PolarHBondContact O-OG 2.8Å; K523-S526 PolarHBondContact O-N 3.33Å; F524-S526 VanDerWaalsContact C-N 3.27Å; F524-S526 PolarHBondContact O-N 3.28Å; S526-S528 PolarHBondContact O-N 3.39Å |
| 527 | D | 53.3 | Low | 63.1 | Low | 134 Ų | 134 | 101.1 Ų | 101.1 | 72% | 0.717 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -93.1 | 19.2 | -169.2 | -99.4 | -0.8 | 0 | 0 | 0 | 115.4 | ||
| 528 | S | 47.5 | Very low | 62.3 | Low | 19 Ų | 19 | 102.6 Ų | 102.6 | 13% | 0.133 | 50% | 0.5 | C | S | . | . | trans | -150.9 | 138.8 | 175.8 | 61.1 | 0 | 0 | 0 | 0 | 115.9 | S526 D533 K534 | S526-S528 PolarHBondContact O-N 3.39Å; S528-D533 WeakPolarHBondContact CB-OD2 3.25Å; S528-K534 WeakPolarHBondContact O-CE 3.33Å; S528-K534 WeakPolarHBondContact OG-CE 3.38Å; S528-K534 WeakPolarHBondContact OG-CG 3.34Å | ||
| 529 | Q | 61.9 | Low | 61 | Low | 210 Ų | 210 | 100 Ų | 100 | 98% | 0.981 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -91.7 | -6.2 | -170.6 | -83.3 | 172.4 | -23.4 | 0 | 0 | 115.5 | ||
| 530 | G | 67.3 | Low | 59.8 | Low | 30 Ų | 30 | 96.1 Ų | 96.1 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | trans | -130.9 | 140.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F532 D533 K534 | G530-F532 VanDerWaalsContact C-N 3.28Å; G530-F532 PolarHBondContact O-N 2.68Å; G530-D533 PolarHBondContact O-N 3.48Å; G530-K534 WeakPolarHBondContact O-CG 3.47Å; G530-K534 PolarHBondContact O-N 3.11Å | ||
| 531 | W | 64.8 | Low | 58.8 | Low | 192 Ų | 192 | 95.3 Ų | 95.3 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.2 | -33.3 | 178.7 | 82.1 | -86.9 | 0 | 0 | 0 | 112.9 | K534 F535 | W531-K534 WeakPolarHBondContact O-CB 3.47Å; W531-K534 PolarHBondContact O-N 2.83Å; W531-F535 WeakPolarHBondContact O-CB 3.32Å; W531-F535 PolarHBondContact O-N 3.43Å |
| 532 | F | 52.6 | Low | 58.1 | Low | 116 Ų | 116 | 92.1 Ų | 92.1 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.5 | -37.9 | 175.9 | -138.8 | -84.6 | 0 | 0 | 0 | 110.7 | G530 K534 F535 T536 | G530-F532 VanDerWaalsContact C-N 3.28Å; G530-F532 PolarHBondContact O-N 2.68Å; F532-K534 VanDerWaalsContact C-N 3.35Å; F532-F535 CarbonylContact O-C 3.59Å; F532-F535 PolarHBondContact O-N 3.47Å; F532-T536 HydrophobicContact CD1-CG2 3.87Å; F532-T536 HydrophobicContact CE1-CG2 4.07Å; F532-T536 WeakPolarHBondContact O-CB 3.44Å; F532-T536 PolarHBondContact O-N 3.45Å; F532-T536 PolarHBondContact O-OG1 3.06Å |
| 533 | D | 64.3 | Low | 57.2 | Low | 63 Ų | 63 | 93.6 Ų | 93.6 | 34% | 0.337 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 172.5 | -169.6 | 41.9 | 0 | 0 | 0 | 111.1 | S528 G530 T536 K537 | S528-D533 WeakPolarHBondContact CB-OD2 3.25Å; G530-D533 PolarHBondContact O-N 3.48Å; D533-T536 WeakPolarHBondContact CA-OG1 3.47Å; D533-T536 PolarHBondContact O-OG1 3.22Å; D533-K537 WeakPolarHBondContact O-CB 3.33Å; D533-K537 VanDerWaalsContact O-CG 3.32Å; D533-K537 WeakPolarHBondContact O-CG 3.43Å; D533-K537 PolarHBondContact O-N 3.06Å; D533-K537 WeakPolarHBondContact OD1-CE 3.42Å; D533-K537 IonicContact OD1-NZ 3.02Å; D533-K537 WeakPolarHBondContact OD2-CE 3.43Å; D533-K537 IonicContact OD2-NZ 2.76Å; D533-K537 PolarHBondContact OD2-NZ 3.18Å |
| 534 | K | 61.3 | Low | 56.4 | Low | 96 Ų | 96 | 91.9 Ų | 91.9 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 169.7 | -72.6 | 179.5 | -178.6 | -166.7 | 0 | 111.6 | S525 S528 G530 W531 F532 W538 | S525-K534 PolarHBondContact O-NZ 2.86Å; S528-K534 WeakPolarHBondContact O-CE 3.33Å; S528-K534 WeakPolarHBondContact OG-CE 3.38Å; S528-K534 WeakPolarHBondContact OG-CG 3.34Å; G530-K534 WeakPolarHBondContact O-CG 3.47Å; G530-K534 PolarHBondContact O-N 3.11Å; W531-K534 WeakPolarHBondContact O-CB 3.47Å; W531-K534 PolarHBondContact O-N 2.83Å; F532-K534 VanDerWaalsContact C-N 3.35Å; K534-W538 WeakPolarHBondContact O-CA 3.08Å; K534-W538 WeakPolarHBondContact O-CB 3.39Å; K534-W538 PolarHBondContact O-N 3.07Å |
| 535 | F | 60.9 | Low | 55.9 | Low | 85 Ų | 85 | 92.6 Ų | 92.6 | 37% | 0.373 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.4 | -42 | 179.2 | 178.1 | -104.3 | 0 | 0 | 0 | 112.5 | W531 F532 W538 L539 | W531-F535 WeakPolarHBondContact O-CB 3.32Å; W531-F535 PolarHBondContact O-N 3.43Å; F532-F535 CarbonylContact O-C 3.59Å; F532-F535 PolarHBondContact O-N 3.47Å; F535-W538 AromaticContact CD2-CE3 3.78Å; F535-W538 HydrophobicContact CD2-CE3 3.78Å; F535-W538 HydrophobicContact CD2-CZ3 4.04Å; F535-W538 AromaticContact CE2-CE3 3.92Å; F535-W538 HydrophobicContact CE2-CE3 3.92Å; F535-W538 AromaticContact CE2-CZ3 3.7Å; F535-W538 HydrophobicContact CE2-CZ3 3.7Å; F535-W538 PolarHBondContact O-N 2.91Å; F535-L539 HydrophobicContact CD1-CD1 3.95Å; F535-L539 HydrophobicContact CE1-CD1 3.24Å; F535-L539 HydrophobicContact CE1-CG 4.14Å; F535-L539 HydrophobicContact CE2-CD1 4.03Å; F535-L539 HydrophobicContact CE2-CG 4.15Å; F535-L539 HydrophobicContact CZ-CD1 3.3Å; F535-L539 HydrophobicContact CZ-CG 3.93Å; F535-L539 WeakPolarHBondContact O-CB 3.43Å; F535-L539 PolarHBondContact O-N 3.27Å |
| 536 | T | 57.5 | Low | 55.2 | Low | 50 Ų | 50 | 96.7 Ų | 96.7 | 31% | 0.307 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.6 | -39 | 177.5 | 47 | 0 | 0 | 0 | 0 | 111.2 | F532 D533 C540 | F532-T536 HydrophobicContact CD1-CG2 3.87Å; F532-T536 HydrophobicContact CE1-CG2 4.07Å; F532-T536 WeakPolarHBondContact O-CB 3.44Å; F532-T536 PolarHBondContact O-N 3.45Å; F532-T536 PolarHBondContact O-OG1 3.06Å; D533-T536 WeakPolarHBondContact CA-OG1 3.47Å; D533-T536 PolarHBondContact O-OG1 3.22Å; T536-C540 WeakPolarHBondContact O-CA 3.45Å; T536-C540 WeakPolarHBondContact O-CB 3.45Å; T536-C540 PolarHBondContact O-N 2.87Å; T536-C540 PolarHBondContact O-SG 3.42Å |
| 537 | K | 56.8 | Low | 54.6 | Low | 107 Ų | 107 | 96.3 Ų | 96.3 | 47% | 0.465 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 170.8 | -76.6 | 173.3 | 175.8 | 160.2 | 0 | 111.7 | D533 S541 | D533-K537 WeakPolarHBondContact O-CB 3.33Å; D533-K537 VanDerWaalsContact O-CG 3.32Å; D533-K537 WeakPolarHBondContact O-CG 3.43Å; D533-K537 PolarHBondContact O-N 3.06Å; D533-K537 WeakPolarHBondContact OD1-CE 3.42Å; D533-K537 IonicContact OD1-NZ 3.02Å; D533-K537 WeakPolarHBondContact OD2-CE 3.43Å; D533-K537 IonicContact OD2-NZ 2.76Å; D533-K537 PolarHBondContact OD2-NZ 3.18Å; K537-S541 WeakPolarHBondContact O-CA 3Å; K537-S541 WeakPolarHBondContact O-CB 3.16Å; K537-S541 PolarHBondContact O-N 3.24Å |
| 538 | W | 63.5 | Low | 54.4 | Low | 84 Ų | 84 | 95.1 Ų | 95.1 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 173.7 | 173.3 | 72.5 | 0 | 0 | 0 | 111.6 | K534 F535 S541 F542 Y705 L706 | K534-W538 WeakPolarHBondContact O-CA 3.08Å; K534-W538 WeakPolarHBondContact O-CB 3.39Å; K534-W538 PolarHBondContact O-N 3.07Å; F535-W538 AromaticContact CD2-CE3 3.78Å; F535-W538 HydrophobicContact CD2-CE3 3.78Å; F535-W538 HydrophobicContact CD2-CZ3 4.04Å; F535-W538 AromaticContact CE2-CE3 3.92Å; F535-W538 HydrophobicContact CE2-CE3 3.92Å; F535-W538 AromaticContact CE2-CZ3 3.7Å; F535-W538 HydrophobicContact CE2-CZ3 3.7Å; F535-W538 PolarHBondContact O-N 2.91Å; W538-S541 PolarHBondContact O-N 3.24Å; W538-F542 WeakPolarHBondContact O-CB 3Å; W538-F542 PolarHBondContact O-N 3.11Å; W538-Y705 HydrophobicContact CZ2-CD1 4.34Å; W538-Y705 AromaticContact CZ2-CE1 3.76Å; W538-Y705 HydrophobicContact CZ2-CE1 3.76Å; W538-L706 HydrophobicContact CH2-CD2 4.07Å |
| 539 | L | 51.3 | Low | 54.8 | Low | 47 Ų | 47 | 97.9 Ų | 97.9 | 25% | 0.246 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 174.8 | -85.9 | -178.8 | 0 | 0 | 0 | 112.2 | F535 S541 F542 L543 | F535-L539 HydrophobicContact CD1-CD1 3.95Å; F535-L539 HydrophobicContact CE1-CD1 3.24Å; F535-L539 HydrophobicContact CE1-CG 4.14Å; F535-L539 HydrophobicContact CE2-CD1 4.03Å; F535-L539 HydrophobicContact CE2-CG 4.15Å; F535-L539 HydrophobicContact CZ-CD1 3.3Å; F535-L539 HydrophobicContact CZ-CG 3.93Å; F535-L539 WeakPolarHBondContact O-CB 3.43Å; F535-L539 PolarHBondContact O-N 3.27Å; L539-S541 VanDerWaalsContact C-N 3.32Å; L539-S541 PolarHBondContact O-N 3.47Å; L539-F542 CarbonylContact O-C 3.29Å; L539-F542 PolarHBondContact O-N 2.98Å; L539-F542 VanDerWaalsContact O-N 3.08Å; L539-L543 HydrophobicContact CB-CD1 4.33Å; L539-L543 HydrophobicContact CD2-CD1 4.33Å; L539-L543 WeakPolarHBondContact O-CB 3.27Å; L539-L543 WeakPolarHBondContact O-CG 3.04Å; L539-L543 PolarHBondContact O-N 3.45Å |
| 540 | C | 51.6 | Low | 54.9 | Low | 49 Ų | 49 | 90 Ų | 90 | 33% | 0.331 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.9 | -31.4 | 178.7 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | T536 F542 I544 F545 | T536-C540 WeakPolarHBondContact O-CA 3.45Å; T536-C540 WeakPolarHBondContact O-CB 3.45Å; T536-C540 PolarHBondContact O-N 2.87Å; T536-C540 PolarHBondContact O-SG 3.42Å; C540-F542 PolarHBondContact O-N 3.39Å; C540-I544 HydrophobicContact CB-CB 4.46Å; C540-I544 HydrophobicContact CB-CD1 3.97Å; C540-I544 HydrophobicContact CB-CG1 4.37Å; C540-I544 VanDerWaalsContact O-CA 3.28Å; C540-I544 WeakPolarHBondContact O-CA 3.42Å; C540-I544 VanDerWaalsContact O-CB 3.22Å; C540-I544 WeakPolarHBondContact O-CB 3.13Å; C540-I544 PolarHBondContact O-N 2.84Å; C540-F545 PolarHBondContact O-N 2.84Å |
| 541 | S | 51.9 | Low | 54.9 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.1 | -20.5 | 170.7 | -175.9 | 0 | 0 | 0 | 0 | 112.5 | K537 W538 L539 | K537-S541 WeakPolarHBondContact O-CA 3Å; K537-S541 WeakPolarHBondContact O-CB 3.16Å; K537-S541 PolarHBondContact O-N 3.24Å; W538-S541 PolarHBondContact O-N 3.24Å; L539-S541 VanDerWaalsContact C-N 3.32Å; L539-S541 PolarHBondContact O-N 3.47Å |
| 542 | F | 50.2 | Low | 55.3 | Low | 57 Ų | 57 | 83.8 Ų | 83.8 | 25% | 0.25 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -91.7 | -27.9 | 174.7 | -149.6 | -78.9 | 0 | 0 | 0 | 112.1 | W538 L539 C540 V702 | W538-F542 WeakPolarHBondContact O-CB 3Å; W538-F542 PolarHBondContact O-N 3.11Å; L539-F542 CarbonylContact O-C 3.29Å; L539-F542 PolarHBondContact O-N 2.98Å; L539-F542 VanDerWaalsContact O-N 3.08Å; C540-F542 PolarHBondContact O-N 3.39Å; F542-V702 HydrophobicContact CD1-CG2 3.6Å; F542-V702 HydrophobicContact CE1-CB 4.25Å; F542-V702 HydrophobicContact CE1-CG2 3.35Å |
| 543 | L | 47.1 | Very low | 56.6 | Low | 121 Ų | 121 | 80 Ų | 80 | 63% | 0.634 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -106 | -32.5 | -172.7 | -67.7 | 172.6 | 0 | 0 | 0 | 114.7 | L539 | L539-L543 HydrophobicContact CB-CD1 4.33Å; L539-L543 HydrophobicContact CD2-CD1 4.33Å; L539-L543 WeakPolarHBondContact O-CB 3.27Å; L539-L543 WeakPolarHBondContact O-CG 3.04Å; L539-L543 PolarHBondContact O-N 3.45Å |
| 544 | I | 50.4 | Low | 57.4 | Low | 119 Ų | 119 | 78.1 Ų | 78.1 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -46.1 | -167.8 | -60.4 | 177.8 | 0 | 0 | 0 | 112 | C540 D546 | C540-I544 HydrophobicContact CB-CB 4.46Å; C540-I544 HydrophobicContact CB-CD1 3.97Å; C540-I544 HydrophobicContact CB-CG1 4.37Å; C540-I544 VanDerWaalsContact O-CA 3.28Å; C540-I544 WeakPolarHBondContact O-CA 3.42Å; C540-I544 VanDerWaalsContact O-CB 3.22Å; C540-I544 WeakPolarHBondContact O-CB 3.13Å; C540-I544 PolarHBondContact O-N 2.84Å; I544-D546 PolarHBondContact O-N 2.98Å |
| 545 | F | 43.7 | Very low | 58.4 | Low | 154 Ų | 154 | 77.2 Ų | 77.2 | 68% | 0.675 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -83.8 | 114.7 | 169 | -77.4 | -91.9 | 0 | 0 | 0 | 106 | C540 M547 | C540-F545 PolarHBondContact O-N 2.84Å; F545-M547 PolarHBondContact O-N 3.22Å |
| 546 | D | 43 | Very low | 59.5 | Low | 146 Ų | 146 | 76.2 Ų | 76.2 | 78% | 0.781 | 39% | 0.391 | S | S | * | . | trans | -33.8 | 131.9 | 170.4 | -72.7 | -56 | 0 | 0 | 0 | 109.5 | I544 D548 | I544-D546 PolarHBondContact O-N 2.98Å; D546-D548 PolarHBondContact O-N 3.47Å | ||
| 547 | M | 45.7 | Very low | 61 | Low | 83 Ų | 83 | 73.9 Ų | 73.9 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | trans | -50.4 | 98.1 | 158.1 | -85.2 | -154 | 69.7 | 0 | 0 | 105.1 | F545 N549 E552 | F545-M547 PolarHBondContact O-N 3.22Å; M547-N549 PolarHBondContact O-N 3.45Å; M547-E552 HydrophobicContact CE-CB 4.23Å | ||
| 548 | D | 48.8 | Very low | 62.5 | Low | 109 Ų | 109 | 69.7 Ų | 69.7 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | trans | -51.5 | 118.5 | -177.2 | -142 | -1.9 | 0 | 0 | 0 | 103.4 | D546 S550 D551 | D546-D548 PolarHBondContact O-N 3.47Å; D548-S550 CarbonylContact O-C 3.59Å; D548-S550 PolarHBondContact O-N 3.4Å; D548-D551 PolarHBondContact O-N 3.4Å | ||
| 549 | N | 56.6 | Low | 63.7 | Low | 77 Ų | 77 | 70.6 Ų | 70.6 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -50.3 | -25.5 | -172.5 | -81.2 | -46.5 | 0 | 0 | 0 | 109.9 | M547 N553 | M547-N549 PolarHBondContact O-N 3.45Å; N549-N553 WeakPolarHBondContact O-CB 3.42Å; N549-N553 PolarHBondContact O-N 3.03Å; N549-N553 PolarHBondContact O-ND2 3.43Å; N549-N553 PolarHBondContact O-OD1 3.45Å |
| 550 | S | 63.7 | Low | 65.6 | Low | 44 Ų | 44 | 70.3 Ų | 70.3 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -51.7 | -47.8 | 170 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | D548 N553 I554 | D548-S550 CarbonylContact O-C 3.59Å; D548-S550 PolarHBondContact O-N 3.4Å; S550-N553 PolarHBondContact O-N 2.88Å; S550-I554 WeakPolarHBondContact O-CG1 3.45Å; S550-I554 PolarHBondContact O-N 2.93Å |
| 551 | D | 67.1 | Low | 67.6 | Low | 44 Ų | 44 | 68 Ų | 68 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -76.3 | -35.9 | -174 | -76.9 | -3.2 | 0 | 0 | 0 | 111.5 | K520 D548 N553 I554 N555 | K520-D551 IonicContact NZ-OD1 3.46Å; K520-D551 PolarHBondContact NZ-OD1 3.43Å; D548-D551 PolarHBondContact O-N 3.4Å; D551-N553 VanDerWaalsContact C-N 3.31Å; D551-I554 PolarHBondContact O-N 3.38Å; D551-N555 PolarHBondContact O-N 3.4Å; D551-N555 PolarHBondContact O-ND2 3.4Å |
| 552 | E | 73.5 | Confident | 69.5 | Low | 48 Ų | 48 | 67.3 Ų | 67.3 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 168.9 | -169.7 | -176.9 | 162.5 | 0 | 0 | 110.5 | M547 N555 K556 R697 | M547-E552 HydrophobicContact CE-CB 4.23Å; E552-N555 PolarHBondContact O-N 3.31Å; E552-K556 VanDerWaalsContact CD-NZ 3.28Å; E552-K556 HydrophobicContact CG-CD 4.33Å; E552-K556 WeakPolarHBondContact O-CB 3.39Å; E552-K556 VanDerWaalsContact O-CG 3.31Å; E552-K556 WeakPolarHBondContact O-CG 3.41Å; E552-K556 PolarHBondContact O-N 2.92Å; E552-K556 WeakPolarHBondContact OE1-CE 3.2Å; E552-K556 IonicContact OE1-NZ 2.68Å; E552-K556 PolarHBondContact OE1-NZ 3.01Å; E552-R697 IonicContact OE1-NH2 3.92Å; E552-R697 PolarHBondContact OE1-NH2 3.19Å |
| 553 | N | 78.9 | Confident | 71.2 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -40 | 177.7 | -71.4 | -19.9 | 0 | 0 | 0 | 112.3 | Y435 N549 S550 D551 K556 C557 | Y435-N553 WeakPolarHBondContact CB-O 3.44Å; Y435-N553 HydrophobicContact CD1-CB 3.67Å; Y435-N553 HydrophobicContact CE1-CB 4.16Å; Y435-N553 HydrophobicContact CG-CB 4.04Å; N549-N553 WeakPolarHBondContact O-CB 3.42Å; N549-N553 PolarHBondContact O-N 3.03Å; N549-N553 PolarHBondContact O-ND2 3.43Å; N549-N553 PolarHBondContact O-OD1 3.45Å; S550-N553 PolarHBondContact O-N 2.88Å; D551-N553 VanDerWaalsContact C-N 3.31Å; N553-K556 PolarHBondContact O-N 3.45Å; N553-C557 VanDerWaalsContact O-CB 3.25Å; N553-C557 WeakPolarHBondContact O-CB 3.42Å; N553-C557 PolarHBondContact O-N 3.24Å |
| 554 | I | 83.1 | Confident | 73.2 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 174.5 | -70.5 | 162.3 | 0 | 0 | 0 | 110 | L513 S550 D551 K556 C557 I558 | L513-I554 HydrophobicContact CD2-CG2 4.43Å; S550-I554 WeakPolarHBondContact O-CG1 3.45Å; S550-I554 PolarHBondContact O-N 2.93Å; D551-I554 PolarHBondContact O-N 3.38Å; I554-K556 PolarHBondContact O-N 2.91Å; I554-C557 WeakPolarHBondContact O-CB 3.48Å; I554-C557 PolarHBondContact O-N 2.7Å; I554-C557 VanDerWaalsContact O-N 3.14Å; I554-I558 HydrophobicContact CG2-CD1 3.84Å; I554-I558 HydrophobicContact CG2-CG1 4.43Å; I554-I558 WeakPolarHBondContact O-CG1 3.49Å; I554-I558 PolarHBondContact O-N 2.77Å |
| 555 | N | 82 | Confident | 75.2 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 178.5 | -76.2 | -52.3 | 0 | 0 | 0 | 112.2 | D551 E552 C557 I558 F559 | D551-N555 PolarHBondContact O-N 3.4Å; D551-N555 PolarHBondContact O-ND2 3.4Å; E552-N555 PolarHBondContact O-N 3.31Å; N555-C557 VanDerWaalsContact C-N 3.31Å; N555-C557 PolarHBondContact O-N 2.61Å; N555-I558 PolarHBondContact O-N 3.42Å; N555-F559 WeakPolarHBondContact O-CB 3.29Å; N555-F559 PolarHBondContact O-N 3.1Å |
| 556 | K | 84.1 | Confident | 77.4 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 172.1 | -76.1 | 172.7 | -176.7 | 159.3 | 0 | 111.6 | E552 N553 I554 F559 Y560 | E552-K556 VanDerWaalsContact CD-NZ 3.28Å; E552-K556 HydrophobicContact CG-CD 4.33Å; E552-K556 WeakPolarHBondContact O-CB 3.39Å; E552-K556 VanDerWaalsContact O-CG 3.31Å; E552-K556 WeakPolarHBondContact O-CG 3.41Å; E552-K556 PolarHBondContact O-N 2.92Å; E552-K556 WeakPolarHBondContact OE1-CE 3.2Å; E552-K556 IonicContact OE1-NZ 2.68Å; E552-K556 PolarHBondContact OE1-NZ 3.01Å; N553-K556 PolarHBondContact O-N 3.45Å; I554-K556 PolarHBondContact O-N 2.91Å; K556-F559 WeakPolarHBondContact O-CB 3.37Å; K556-F559 PolarHBondContact O-N 3.34Å; K556-Y560 HydrophobicContact CB-CD2 4.43Å; K556-Y560 HydrophobicContact CB-CE2 3.86Å; K556-Y560 WeakPolarHBondContact O-CD2 3.24Å; K556-Y560 PolarHBondContact O-N 3.04Å |
| 557 | C | 88.2 | Confident | 79.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 177.8 | -166.4 | 0 | 0 | 0 | 0 | 111.4 | L432 A438 L513 N553 I554 N555 F559 Y560 L561 | L432-C557 PolarHBondContact O-SG 2.8Å; A438-C557 VanDerWaalsContact CB-SG 3.54Å; L513-C557 HydrophobicContact CD1-CB 4.12Å; N553-C557 VanDerWaalsContact O-CB 3.25Å; N553-C557 WeakPolarHBondContact O-CB 3.42Å; N553-C557 PolarHBondContact O-N 3.24Å; I554-C557 WeakPolarHBondContact O-CB 3.48Å; I554-C557 PolarHBondContact O-N 2.7Å; I554-C557 VanDerWaalsContact O-N 3.14Å; N555-C557 VanDerWaalsContact C-N 3.31Å; N555-C557 PolarHBondContact O-N 2.61Å; C557-F559 VanDerWaalsContact C-N 3.28Å; C557-F559 PolarHBondContact O-N 2.95Å; C557-Y560 PolarHBondContact O-N 3.46Å; C557-L561 WeakPolarHBondContact O-CB 3.22Å; C557-L561 VanDerWaalsContact O-CG 3.31Å; C557-L561 WeakPolarHBondContact O-CG 3.33Å; C557-L561 PolarHBondContact O-N 3.12Å |
| 558 | I | 89 | Confident | 81.8 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 176.7 | -68.2 | 167.6 | 0 | 0 | 0 | 110.9 | L513 Q514 I554 N555 T562 | L513-I558 HydrophobicContact CB-CD1 4.07Å; L513-I558 HydrophobicContact CB-CG1 3.83Å; L513-I558 HydrophobicContact CD1-CG1 4.31Å; Q514-I558 HydrophobicContact CG-CD1 4.01Å; Q514-I558 HydrophobicContact CG-CG1 4.43Å; Q514-I558 HydrophobicContact CG-CG2 4.26Å; I554-I558 HydrophobicContact CG2-CD1 3.84Å; I554-I558 HydrophobicContact CG2-CG1 4.43Å; I554-I558 WeakPolarHBondContact O-CG1 3.49Å; I554-I558 PolarHBondContact O-N 2.77Å; N555-I558 PolarHBondContact O-N 3.42Å; I558-T562 VanDerWaalsContact O-CB 3.3Å; I558-T562 WeakPolarHBondContact O-CB 3.44Å; I558-T562 PolarHBondContact O-N 3.25Å; I558-T562 PolarHBondContact O-OG1 2.85Å |
| 559 | F | 88.6 | Confident | 83.8 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 45% | 0.447 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -51.9 | 175.8 | 173.8 | -98 | 0 | 0 | 0 | 111.6 | N555 K556 C557 L561 T562 E563 | N555-F559 WeakPolarHBondContact O-CB 3.29Å; N555-F559 PolarHBondContact O-N 3.1Å; K556-F559 WeakPolarHBondContact O-CB 3.37Å; K556-F559 PolarHBondContact O-N 3.34Å; C557-F559 VanDerWaalsContact C-N 3.28Å; C557-F559 PolarHBondContact O-N 2.95Å; F559-L561 VanDerWaalsContact C-N 3.33Å; F559-L561 PolarHBondContact O-N 2.94Å; F559-T562 PolarHBondContact O-N 3.37Å; F559-T562 VanDerWaalsContact O-N 3.16Å; F559-E563 HydrophobicContact CD1-CG 4.49Å; F559-E563 HydrophobicContact CD2-CG 4.19Å; F559-E563 HydrophobicContact CE1-CG 4.06Å; F559-E563 HydrophobicContact CE2-CG 3.72Å; F559-E563 HydrophobicContact CZ-CG 3.65Å; F559-E563 WeakPolarHBondContact O-CG 3.14Å; F559-E563 PolarHBondContact O-N 3.15Å |
| 560 | Y | 91 | Very high | 85.2 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 179 | -64 | -34.8 | 0 | 0 | 0 | 112.5 | H439 Y442 K556 C557 G564 | H439-Y560 HydrophobicContact CB-CD2 3.84Å; H439-Y560 HydrophobicContact CB-CE2 3.81Å; H439-Y560 AromaticContact CD2-CE1 3.97Å; H439-Y560 AromaticContact CD2-CE2 3.98Å; H439-Y560 AromaticContact CD2-CZ 3.73Å; Y442-Y560 AromaticContact CD1-CD1 3.67Å; Y442-Y560 HydrophobicContact CD1-CD1 3.67Å; Y442-Y560 HydrophobicContact CD1-CE1 4.02Å; Y442-Y560 HydrophobicContact CD2-CD1 4.22Å; Y442-Y560 HydrophobicContact CE1-CD1 4.19Å; Y442-Y560 HydrophobicContact CE1-CE1 4.24Å; Y442-Y560 AromaticContact CG-CD1 3.69Å; Y442-Y560 HydrophobicContact CG-CD1 3.69Å; Y442-Y560 HydrophobicContact CG-CE1 4.49Å; Y442-Y560 HydrophobicContact CG-CG 4.29Å; K556-Y560 HydrophobicContact CB-CD2 4.43Å; K556-Y560 HydrophobicContact CB-CE2 3.86Å; K556-Y560 WeakPolarHBondContact O-CD2 3.24Å; K556-Y560 PolarHBondContact O-N 3.04Å; C557-Y560 PolarHBondContact O-N 3.46Å; Y560-G564 PolarHBondContact O-N 3.25Å |
| 561 | L | 92.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | 176.1 | -67.7 | 176.4 | 0 | 0 | 0 | 111.5 | L432 A438 M506 T509 K510 L513 C557 F559 G564 I565 | L432-L561 HydrophobicContact CB-CD2 4.48Å; L432-L561 HydrophobicContact CD1-CD2 4.5Å; A438-L561 HydrophobicContact CB-CD2 3.92Å; A438-L561 HydrophobicContact CB-CG 4.05Å; M506-L561 HydrophobicContact CB-CD2 4.24Å; M506-L561 HydrophobicContact CE-CD2 3.97Å; M506-L561 HydrophobicContact CG-CD2 4.1Å; T509-L561 HydrophobicContact CG2-CD1 3.98Å; K510-L561 HydrophobicContact CB-CB 4.39Å; K510-L561 HydrophobicContact CB-CD1 4.24Å; L513-L561 HydrophobicContact CD1-CD1 4.13Å; C557-L561 WeakPolarHBondContact O-CB 3.22Å; C557-L561 VanDerWaalsContact O-CG 3.31Å; C557-L561 WeakPolarHBondContact O-CG 3.33Å; C557-L561 PolarHBondContact O-N 3.12Å; F559-L561 VanDerWaalsContact C-N 3.33Å; F559-L561 PolarHBondContact O-N 2.94Å; L561-G564 PolarHBondContact O-N 3.12Å; L561-I565 WeakPolarHBondContact O-CB 3.44Å; L561-I565 VanDerWaalsContact O-CD1 3.32Å; L561-I565 WeakPolarHBondContact O-CD1 3.46Å; L561-I565 WeakPolarHBondContact O-CG1 3.44Å; L561-I565 PolarHBondContact O-N 2.88Å |
| 562 | T | 91.2 | Very high | 87.5 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -50.3 | 180 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | K510 I558 F559 G564 I565 H566 | K510-T562 VanDerWaalsContact CE-OG1 3.3Å; K510-T562 WeakPolarHBondContact CE-OG1 3.47Å; K510-T562 PolarHBondContact NZ-OG1 3.07Å; I558-T562 VanDerWaalsContact O-CB 3.3Å; I558-T562 WeakPolarHBondContact O-CB 3.44Å; I558-T562 PolarHBondContact O-N 3.25Å; I558-T562 PolarHBondContact O-OG1 2.85Å; F559-T562 PolarHBondContact O-N 3.37Å; F559-T562 VanDerWaalsContact O-N 3.16Å; T562-G564 VanDerWaalsContact C-N 3.34Å; T562-G564 PolarHBondContact O-N 3.23Å; T562-I565 PolarHBondContact O-N 3.4Å; T562-H566 PolarHBondContact O-N 3.44Å; T562-H566 VanDerWaalsContact O-N 3.11Å |
| 563 | E | 86.6 | Confident | 88 | Confident | 79 Ų | 79 | 44 Ų | 44 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.5 | -67.8 | -63.9 | 119.1 | 0 | 0 | 111.2 | Y442 F559 I565 H566 S567 | Y442-E563 HydrophobicContact CD2-CB 3.77Å; Y442-E563 HydrophobicContact CE2-CB 3.77Å; Y442-E563 HydrophobicContact CE2-CG 4.24Å; F559-E563 HydrophobicContact CD1-CG 4.49Å; F559-E563 HydrophobicContact CD2-CG 4.19Å; F559-E563 HydrophobicContact CE1-CG 4.06Å; F559-E563 HydrophobicContact CE2-CG 3.72Å; F559-E563 HydrophobicContact CZ-CG 3.65Å; F559-E563 WeakPolarHBondContact O-CG 3.14Å; F559-E563 PolarHBondContact O-N 3.15Å; E563-I565 PolarHBondContact O-N 3.3Å; E563-H566 PolarHBondContact O-N 3.02Å; E563-S567 WeakPolarHBondContact O-CB 3.37Å; E563-S567 PolarHBondContact O-N 3.38Å; E563-S567 PolarHBondContact O-OG 3.37Å |
| 564 | G | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y560 L561 T562 L568 | Y560-G564 PolarHBondContact O-N 3.25Å; L561-G564 PolarHBondContact O-N 3.12Å; T562-G564 VanDerWaalsContact C-N 3.34Å; T562-G564 PolarHBondContact O-N 3.23Å; G564-L568 WeakPolarHBondContact O-CB 3.37Å; G564-L568 WeakPolarHBondContact O-CG 3.1Å; G564-L568 PolarHBondContact O-N 2.86Å |
| 565 | I | 91.9 | Very high | 87.1 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 174.8 | -71.7 | 159.4 | 0 | 0 | 0 | 110.3 | L503 M506 M507 K510 L561 T562 E563 L568 R569 | L503-I565 HydrophobicContact CD2-CB 4.38Å; L503-I565 HydrophobicContact CD2-CG1 4.38Å; L503-I565 HydrophobicContact CD2-CG2 4.22Å; M506-I565 HydrophobicContact CB-CD1 3.99Å; M506-I565 HydrophobicContact CB-CG1 3.78Å; M506-I565 HydrophobicContact CE-CG1 4.05Å; M506-I565 HydrophobicContact SD-CG1 4.37Å; M507-I565 HydrophobicContact CG-CD1 3.8Å; M507-I565 HydrophobicContact CG-CG1 4.31Å; M507-I565 HydrophobicContact CG-CG2 4.49Å; K510-I565 HydrophobicContact CD-CD1 4.16Å; L561-I565 WeakPolarHBondContact O-CB 3.44Å; L561-I565 VanDerWaalsContact O-CD1 3.32Å; L561-I565 WeakPolarHBondContact O-CD1 3.46Å; L561-I565 WeakPolarHBondContact O-CG1 3.44Å; L561-I565 PolarHBondContact O-N 2.88Å; T562-I565 PolarHBondContact O-N 3.4Å; E563-I565 PolarHBondContact O-N 3.3Å; I565-L568 PolarHBondContact O-N 3.25Å; I565-R569 WeakPolarHBondContact O-CB 3.44Å; I565-R569 WeakPolarHBondContact O-CG 3.34Å; I565-R569 PolarHBondContact O-N 3.36Å; I565-R569 VanDerWaalsContact O-N 3.07Å |
| 566 | H | 89.5 | Confident | 85.8 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -52.3 | 179.2 | -178.9 | -77.6 | 0 | 0 | 0 | 111.1 | T562 E563 L568 R569 E570 | T562-H566 PolarHBondContact O-N 3.44Å; T562-H566 VanDerWaalsContact O-N 3.11Å; E563-H566 PolarHBondContact O-N 3.02Å; H566-L568 PolarHBondContact O-N 3.37Å; H566-R569 PolarHBondContact O-N 2.87Å; H566-E570 IonicContact CE1-OE2 3.23Å; H566-E570 PolarHBondContact CE1-OE2 2.95Å; H566-E570 VanDerWaalsContact CE1-OE2 3.23Å; H566-E570 IonicContact ND1-OE2 3.5Å; H566-E570 PolarHBondContact ND1-OE2 3.33Å; H566-E570 WeakPolarHBondContact O-CB 3.39Å; H566-E570 PolarHBondContact O-N 2.73Å |
| 567 | S | 89.2 | Confident | 83.9 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 179.9 | -77.1 | 0 | 0 | 0 | 0 | 113.5 | S449 E563 F571 | S449-S567 WeakPolarHBondContact OG-CB 3.4Å; S449-S567 PolarHBondContact OG-OG 3.42Å; E563-S567 WeakPolarHBondContact O-CB 3.37Å; E563-S567 PolarHBondContact O-N 3.38Å; E563-S567 PolarHBondContact O-OG 3.37Å; S567-F571 WeakPolarHBondContact O-CB 3.42Å; S567-F571 PolarHBondContact O-N 3.31Å |
| 568 | L | 91.1 | Very high | 81.5 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.2 | -42.5 | 179.3 | -77.4 | 171.5 | 0 | 0 | 0 | 112.3 | F420 T445 V502 L503 M506 G564 I565 H566 F571 F572 | F420-L568 HydrophobicContact CZ-CD2 4.44Å; T445-L568 HydrophobicContact CG2-CD1 3.86Å; T445-L568 HydrophobicContact CG2-CD2 3.89Å; T445-L568 HydrophobicContact CG2-CG 3.51Å; V502-L568 HydrophobicContact CG1-CD1 4.39Å; L503-L568 HydrophobicContact CD2-CB 3.84Å; L503-L568 HydrophobicContact CD2-CD1 4.17Å; L503-L568 HydrophobicContact CG-CB 4.43Å; M506-L568 HydrophobicContact SD-CD1 4.05Å; G564-L568 WeakPolarHBondContact O-CB 3.37Å; G564-L568 WeakPolarHBondContact O-CG 3.1Å; G564-L568 PolarHBondContact O-N 2.86Å; I565-L568 PolarHBondContact O-N 3.25Å; H566-L568 PolarHBondContact O-N 3.37Å; L568-F571 PolarHBondContact O-N 2.81Å; L568-F572 HydrophobicContact CD2-CD2 4.4Å; L568-F572 HydrophobicContact CD2-CE2 4.21Å; L568-F572 PolarHBondContact O-N 3.18Å |
| 569 | R | 90.5 | Very high | 78.8 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 21% | 0.208 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.8 | -77.9 | 179.5 | 169.9 | -174.2 | -5.7 | 111.3 | L503 M507 I565 H566 A573 I574 | L503-R569 HydrophobicContact CD1-CG 4.01Å; L503-R569 HydrophobicContact CD2-CG 4.2Å; M507-R569 PolarHBondContact SD-NH2 3.42Å; I565-R569 WeakPolarHBondContact O-CB 3.44Å; I565-R569 WeakPolarHBondContact O-CG 3.34Å; I565-R569 PolarHBondContact O-N 3.36Å; I565-R569 VanDerWaalsContact O-N 3.07Å; H566-R569 PolarHBondContact O-N 2.87Å; R569-A573 VanDerWaalsContact O-CA 3.22Å; R569-A573 WeakPolarHBondContact O-CA 3.49Å; R569-A573 PolarHBondContact O-N 3.26Å; R569-I574 PolarHBondContact O-N 2.96Å |
| 570 | E | 87.9 | Confident | 75.9 | Confident | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 177.5 | -175.4 | 180 | -175.6 | 0 | 0 | 111.8 | K454 H566 | K454-E570 PolarHBondContact NZ-O 3.5Å; H566-E570 IonicContact CE1-OE2 3.23Å; H566-E570 PolarHBondContact CE1-OE2 2.95Å; H566-E570 VanDerWaalsContact CE1-OE2 3.23Å; H566-E570 IonicContact ND1-OE2 3.5Å; H566-E570 PolarHBondContact ND1-OE2 3.33Å; H566-E570 WeakPolarHBondContact O-CB 3.39Å; H566-E570 PolarHBondContact O-N 2.73Å |
| 571 | F | 88.6 | Confident | 72.8 | Confident | 9 Ų | 9 | 77.3 Ų | 77.3 | 4% | 0.039 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.7 | -45.6 | -178.9 | -171.1 | -86.8 | 0 | 0 | 0 | 112.1 | F448 K454 L457 L490 W491 S567 L568 | F448-F571 HydrophobicContact CB-CD2 4.16Å; F448-F571 HydrophobicContact CB-CE2 4.13Å; F448-F571 HydrophobicContact CD1-CE1 4.13Å; F448-F571 HydrophobicContact CD1-CE2 4.09Å; F448-F571 AromaticContact CD1-CZ 3.75Å; F448-F571 HydrophobicContact CD1-CZ 3.75Å; F448-F571 WeakPolarHBondContact O-CD2 3.37Å; F448-F571 VanDerWaalsContact O-CE2 3.28Å; F448-F571 WeakPolarHBondContact O-CE2 3.39Å; K454-F571 HydrophobicContact CB-CD2 4.09Å; K454-F571 HydrophobicContact CB-CE2 3.62Å; K454-F571 HydrophobicContact CB-CZ 4.3Å; K454-F571 HydrophobicContact CD-CD2 4.3Å; K454-F571 HydrophobicContact CD-CE2 4.45Å; K454-F571 WeakPolarHBondContact CE-O 3.44Å; K454-F571 HydrophobicContact CG-CD2 4.34Å; K454-F571 HydrophobicContact CG-CE2 4Å; K454-F571 HydrophobicContact CG-CZ 4.32Å; K454-F571 PolarHBondContact NZ-O 2.94Å; L457-F571 HydrophobicContact CD1-CZ 3.99Å; L490-F571 HydrophobicContact CD2-CE1 3.83Å; L490-F571 HydrophobicContact CD2-CZ 4Å; W491-F571 HydrophobicContact CZ2-CE1 4.19Å; W491-F571 HydrophobicContact CZ2-CZ 4.33Å; S567-F571 WeakPolarHBondContact O-CB 3.42Å; S567-F571 PolarHBondContact O-N 3.31Å; L568-F571 PolarHBondContact O-N 2.81Å |
| 572 | F | 88.8 | Confident | 69.6 | Low | 17 Ų | 17 | 85.5 Ų | 85.5 | 8% | 0.075 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -92.8 | -1.5 | -179.1 | -72.4 | -80.2 | 0 | 0 | 0 | 114.9 | F420 L490 I495 I496 V499 L568 I574 | F420-F572 AromaticContact CE1-CE2 3.91Å; F420-F572 HydrophobicContact CE1-CE2 3.91Å; F420-F572 AromaticContact CE1-CZ 3.52Å; F420-F572 HydrophobicContact CE1-CZ 3.52Å; F420-F572 AromaticContact CZ-CE2 3.8Å; F420-F572 HydrophobicContact CZ-CE2 3.8Å; F420-F572 AromaticContact CZ-CZ 3.89Å; F420-F572 HydrophobicContact CZ-CZ 3.89Å; L490-F572 HydrophobicContact CG-CE1 4.37Å; L490-F572 HydrophobicContact CG-CZ 4.43Å; I495-F572 HydrophobicContact CG2-CE1 4.39Å; I495-F572 HydrophobicContact CG2-CZ 4.46Å; I496-F572 HydrophobicContact CG1-CD1 4.49Å; V499-F572 HydrophobicContact CG1-CD2 3.89Å; V499-F572 HydrophobicContact CG1-CE2 4.36Å; V499-F572 HydrophobicContact CG1-CG 4.38Å; V499-F572 HydrophobicContact CG2-CD2 4.01Å; V499-F572 HydrophobicContact CG2-CE1 4.43Å; V499-F572 HydrophobicContact CG2-CE2 3.75Å; V499-F572 HydrophobicContact CG2-CG 4.47Å; V499-F572 HydrophobicContact CG2-CZ 3.99Å; L568-F572 HydrophobicContact CD2-CD2 4.4Å; L568-F572 HydrophobicContact CD2-CE2 4.21Å; L568-F572 PolarHBondContact O-N 3.18Å; F572-I574 VanDerWaalsContact C-N 3.28Å; F572-I574 HydrophobicContact CB-CD1 3.76Å; F572-I574 HydrophobicContact CB-CG1 3.81Å; F572-I574 PolarHBondContact O-N 3.49Å |
| 573 | A | 84.8 | Confident | 66.5 | Low | 79 Ų | 79 | 90.3 Ų | 90.3 | 65% | 0.653 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 40.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | R569 | R569-A573 VanDerWaalsContact O-CA 3.22Å; R569-A573 WeakPolarHBondContact O-CA 3.49Å; R569-A573 PolarHBondContact O-N 3.26Å |
| 574 | I | 79.8 | Confident | 63.6 | Low | 25 Ų | 25 | 93.6 Ų | 93.6 | 13% | 0.128 | 47% | 0.472 | C | S | . | . | trans | -83.9 | 121 | 178.7 | -61.3 | 168 | 0 | 0 | 0 | 109 | V499 E500 L503 R569 F572 | V499-I574 HydrophobicContact CB-CD1 4.3Å; V499-I574 HydrophobicContact CG1-CD1 3.64Å; E500-I574 HydrophobicContact CG-CD1 4.08Å; E500-I574 HydrophobicContact CG-CG2 4.39Å; L503-I574 HydrophobicContact CD1-CD1 3.84Å; L503-I574 HydrophobicContact CD1-CG2 4.45Å; R569-I574 PolarHBondContact O-N 2.96Å; F572-I574 VanDerWaalsContact C-N 3.28Å; F572-I574 HydrophobicContact CB-CD1 3.76Å; F572-I574 HydrophobicContact CB-CG1 3.81Å; F572-I574 PolarHBondContact O-N 3.49Å | ||
| 575 | Q | 64 | Low | 60.4 | Low | 165 Ų | 165 | 98.4 Ų | 98.4 | 77% | 0.771 | 51% | 0.506 | S | S | * | . | trans | -67 | 155.5 | 178.8 | -157.4 | 68.7 | 23.4 | 0 | 0 | 111.7 | T577 | Q575-T577 PolarHBondContact O-N 3.1Š| ||
| 576 | E | 54.1 | Low | 57.3 | Low | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | trans | -54.5 | 108.3 | 174.5 | -72 | -176.3 | 156.6 | 0 | 0 | 111.5 | F578 | E576-F578 PolarHBondContact O-N 3.19Š| ||
| 577 | T | 43.7 | Very low | 54.1 | Low | 76 Ų | 76 | 108.1 Ų | 108.1 | 47% | 0.466 | 55% | 0.552 | S | S | . | * | trans | -70.3 | 110.7 | 160.5 | 44.9 | 0 | 0 | 0 | 0 | 107.3 | Q575 E579 | Q575-T577 PolarHBondContact O-N 3.1Å; T577-E579 PolarHBondContact O-N 3.47Å | ||
| 578 | F | 38 | Very low | 51.2 | Low | 178 Ų | 178 | 112.8 Ų | 112.8 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | trans | -51.1 | 132 | 175.3 | -75.5 | -89.4 | 0 | 0 | 0 | 110.3 | E576 T580 | E576-F578 PolarHBondContact O-N 3.19Å; F578-T580 VanDerWaalsContact C-N 3.3Å; F578-T580 PolarHBondContact O-N 3.21Å; F578-T580 PolarHBondContact O-OG1 3.33Å | ||
| 579 | E | 32.5 | Very low | 48.1 | Very low | 200 Ų | 200 | 118.2 Ų | 118.2 | 94% | 0.935 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -52 | 80.8 | 179.3 | -63.9 | -179.6 | 155.5 | 0 | 0 | 112.6 | T577 | T577-E579 PolarHBondContact O-N 3.47Š|
| 580 | T | 27.9 | Very low | 45.2 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | trans | -151.5 | 81.7 | 176.1 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | F578 | F578-T580 VanDerWaalsContact C-N 3.3Å; F578-T580 PolarHBondContact O-N 3.21Å; F578-T580 PolarHBondContact O-OG1 3.33Å | ||
| 581 | M | 26.1 | Very low | 42.1 | Very low | 173 Ų | 173 | 123 Ų | 123 | 85% | 0.852 | 66% | 0.658 | S | S | * | * | trans | -149.9 | 94.5 | 147.3 | -95.2 | -131.1 | 136.1 | 0 | 0 | 109 | ||||
| 582 | H | 26.3 | Very low | 39.2 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 80% | 0.801 | 69% | 0.693 | S | S | * | * | trans | -59.6 | 141.7 | 153.5 | -76.1 | -79.4 | 0 | 0 | 0 | 108.9 | ||||
| 583 | D | 25 | Very low | 35.9 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | 73.1 | 69.4 | 165.3 | -57 | -23.6 | 0 | 0 | 0 | 118.9 | ||||
| 584 | L | 25.9 | Very low | 33 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -114.9 | 79.4 | 141.8 | -82.1 | 165.5 | 0 | 0 | 0 | 109.1 | L586 | L584-L586 PolarHBondContact O-N 3.02Š| ||
| 585 | S | 22.9 | Very low | 30.2 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -67 | 76.8 | 166.2 | 161.5 | 0 | 0 | 0 | 0 | 109.8 | K587 | S585-K587 VanDerWaalsContact C-N 3.35Å; S585-K587 PolarHBondContact O-N 3.01Å; S585-K587 VanDerWaalsContact O-N 3.16Å | ||
| 586 | L | 25.8 | Very low | 28.5 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | -76.5 | 92.4 | 158.5 | -81.7 | 158.1 | 0 | 0 | 0 | 107.3 | L584 P588 | L584-L586 PolarHBondContact O-N 3.02Å; L586-P588 WeakPolarHBondContact O-CD 3.39Å | ||
| 587 | K | 23.2 | Very low | 27 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 123.4 | 167.8 | -82.5 | -179.4 | 176 | 175.7 | 0 | 108.1 | S585 | S585-K587 VanDerWaalsContact C-N 3.35Å; S585-K587 PolarHBondContact O-N 3.01Å; S585-K587 VanDerWaalsContact O-N 3.16Å |
| 588 | P | 28.5 | Very low | 26.1 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 145.3 | 171.3 | 25.8 | -31.1 | 0 | 0 | 0 | 109.4 | L586 | L586-P588 WeakPolarHBondContact O-CD 3.39Š|
| 589 | P | 25.7 | Very low | 25.5 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133 | -177.5 | 23.9 | -31.7 | 0 | 0 | 0 | 110.2 | ||
| 590 | P | 29.1 | Very low | 25.1 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -77.4 | 137.9 | 176.5 | 32 | -30.2 | 0 | 0 | 0 | 109.1 | ||
| 591 | N | 24.4 | Very low | 25.1 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | 80 | 87.6 | 168.5 | -53.4 | -21.3 | 0 | 0 | 0 | 116.7 | ||||
| 592 | G | 26.5 | Very low | 25.1 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | -150 | 57.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I594 | G592-I594 PolarHBondContact O-N 3.28Š| ||
| 593 | R | 20.1 | Very low | 25.3 | Very low | 245 Ų | 245 | 133 Ų | 133 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | trans | -69.5 | 95.4 | 174.9 | -175.6 | -170.4 | -87.7 | -173.9 | -5.8 | 108.1 | ||||
| 594 | I | 24.1 | Very low | 25.5 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 64% | 0.641 | 72% | 0.715 | S | S | * | * | trans | -122.4 | 106.2 | 157 | -54.3 | 179.4 | 0 | 0 | 0 | 106.8 | G592 W596 | G592-I594 PolarHBondContact O-N 3.28Å; I594-W596 HydrophobicContact CG2-CD2 4.41Å; I594-W596 HydrophobicContact CG2-CG 4.48Å; I594-W596 HydrophobicContact CG2-CZ2 4.12Å; I594-W596 VanDerWaalsContact CG2-NE1 3.31Å; I594-W596 PolarHBondContact O-N 3.41Å | ||
| 595 | Q | 20.2 | Very low | 25.5 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | -68.8 | 104.5 | 174.3 | -171.5 | 176.6 | -6.6 | 0 | 0 | 107.3 | ||||
| 596 | W | 27.7 | Very low | 25.6 | Very low | 224 Ų | 224 | 129.7 Ų | 129.7 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | trans | -104.5 | 109.8 | 165.1 | -70.3 | 107.9 | 0 | 0 | 0 | 107.1 | I594 | I594-W596 HydrophobicContact CG2-CD2 4.41Å; I594-W596 HydrophobicContact CG2-CG 4.48Å; I594-W596 HydrophobicContact CG2-CZ2 4.12Å; I594-W596 VanDerWaalsContact CG2-NE1 3.31Å; I594-W596 PolarHBondContact O-N 3.41Å | ||
| 597 | D | 23 | Very low | 25.4 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | -54.3 | 147.3 | 177.8 | -71.5 | -42.2 | 0 | 0 | 0 | 112 | L599 | D597-L599 PolarHBondContact O-N 3.04Š| ||
| 598 | D | 24.8 | Very low | 25.5 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | -37.7 | 114.9 | 167.7 | -87.6 | -48 | 0 | 0 | 0 | 113.7 | ||||
| 599 | L | 25.1 | Very low | 25.4 | Very low | 171 Ų | 171 | 131 Ų | 131 | 90% | 0.895 | 70% | 0.697 | S | S | * | * | trans | -136.8 | 82.1 | 148 | -75.7 | 175.3 | 0 | 0 | 0 | 108.6 | D597 | D597-L599 PolarHBondContact O-N 3.04Š| ||
| 600 | S | 24.7 | Very low | 25.3 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | trans | -40.8 | 137.5 | 165.6 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 601 | A | 27.1 | Very low | 25.1 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 70% | 0.702 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 93.5 | 110.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 602 | S | 27.3 | Very low | 25.1 | Very low | 49 Ų | 49 | 140.1 Ų | 140.1 | 34% | 0.343 | 70% | 0.701 | S | S | . | * | trans | -46 | 134.9 | 168.1 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | I604 | S602-I604 VanDerWaalsContact C-N 3.32Å; S602-I604 PolarHBondContact O-N 3.33Å | ||
| 603 | P | 30.3 | Very low | 25 | Very low | 60 Ų | 60 | 143.4 Ų | 143.4 | 39% | 0.39 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | 19.2 | -177.3 | 31.4 | -33.3 | 0 | 0 | 0 | 115.7 | I605 | P603-I605 VanDerWaalsContact C-N 3.34Š|
| 604 | I | 29.9 | Very low | 25.2 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 49% | 0.492 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | 3.4 | 179.3 | -51 | 179.5 | 0 | 0 | 0 | 112.9 | S602 | S602-I604 VanDerWaalsContact C-N 3.32Å; S602-I604 PolarHBondContact O-N 3.33Å |
| 605 | I | 25.6 | Very low | 25.2 | Very low | 151 Ų | 151 | 137 Ų | 137 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -120.5 | 106.6 | 163.5 | -56.9 | 178.8 | 0 | 0 | 0 | 107.7 | P603 R607 | P603-I605 VanDerWaalsContact C-N 3.34Å; I605-R607 PolarHBondContact O-N 2.9Å |
| 606 | T | 24.5 | Very low | 25.4 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 50% | 0.497 | 70% | 0.698 | S | S | . | * | trans | -50.7 | 97.9 | 174.6 | 42.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 607 | R | 21.8 | Very low | 25.4 | Very low | 210 Ų | 210 | 129.7 Ų | 129.7 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -95.2 | 120.1 | 149.1 | -99.1 | -173.7 | 176.7 | -171.6 | -2.3 | 106.6 | I605 H609 | I605-R607 PolarHBondContact O-N 2.9Å; R607-H609 PolarHBondContact O-N 2.91Å | ||
| 608 | P | 25.4 | Very low | 25.6 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | trans | -59.7 | 111.4 | 160.5 | 24.1 | -28 | 0 | 0 | 0 | 106.2 | F610 | P608-F610 HydrophobicContact CG-CE2 4.26Å; P608-F610 PolarHBondContact O-N 3.36Å | ||
| 609 | H | 25.2 | Very low | 25.4 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | trans | -63.4 | 94.8 | 164.7 | -86.4 | -98.2 | 0 | 0 | 0 | 105.9 | R607 K611 | R607-H609 PolarHBondContact O-N 2.91Å; H609-K611 PolarHBondContact O-N 3.48Å | ||
| 610 | F | 24 | Very low | 25.4 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 77% | 0.772 | 70% | 0.7 | S | S | * | * | trans | -61.4 | 98.5 | 156.5 | -75.3 | -82 | 0 | 0 | 0 | 105.2 | P608 Y612 | P608-F610 HydrophobicContact CG-CE2 4.26Å; P608-F610 PolarHBondContact O-N 3.36Å; F610-Y612 PolarHBondContact O-N 3.48Å | ||
| 611 | K | 24.7 | Very low | 25.3 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | trans | -48.2 | 116.5 | 155.6 | -90 | 176.3 | 178.7 | 166.9 | 0 | 104.4 | H609 L613 | H609-K611 PolarHBondContact O-N 3.48Å; K611-L613 PolarHBondContact O-N 2.98Å | ||
| 612 | Y | 25.3 | Very low | 25.4 | Very low | 235 Ų | 235 | 133.8 Ų | 133.8 | 92% | 0.922 | 71% | 0.713 | S | S | * | * | trans | -56.2 | 98 | 174.2 | -79.3 | -90.8 | 0 | 0 | 0 | 106.7 | F610 S614 | F610-Y612 PolarHBondContact O-N 3.48Å; Y612-S614 PolarHBondContact O-N 3.45Å; Y612-S614 VanDerWaalsContact O-N 3.16Å | ||
| 613 | L | 24.6 | Very low | 25.1 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -59.1 | 122.3 | 166.3 | -134.1 | 89.6 | 0 | 0 | 0 | 104.4 | K611 T615 | K611-L613 PolarHBondContact O-N 2.98Å; L613-T615 HydrophobicContact CB-CG2 4.37Å; L613-T615 PolarHBondContact O-N 2.92Å | ||
| 614 | S | 24.7 | Very low | 24.9 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -61.8 | 90.2 | 170.3 | 61.3 | 0 | 0 | 0 | 0 | 107.5 | Y612 S616 | Y612-S614 PolarHBondContact O-N 3.45Å; Y612-S614 VanDerWaalsContact O-N 3.16Å; S614-S616 PolarHBondContact O-N 3.04Å | ||
| 615 | T | 24.1 | Very low | 24.6 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -81.5 | 90.4 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 108.5 | L613 | L613-T615 HydrophobicContact CB-CG2 4.37Å; L613-T615 PolarHBondContact O-N 2.92Å | ||
| 616 | S | 24.6 | Very low | 24.6 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -68.4 | 139.7 | 144.3 | 62.4 | 0 | 0 | 0 | 0 | 108.5 | S614 K618 | S614-S616 PolarHBondContact O-N 3.04Å; S616-K618 PolarHBondContact O-N 3.25Å | ||
| 617 | P | 27.7 | Very low | 24.5 | Very low | 124 Ų | 124 | 152 Ų | 152 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -86.5 | 118.2 | -158.1 | 32.5 | -32.3 | 0 | 0 | 0 | 112.1 | ||||
| 618 | K | 25.6 | Very low | 24.8 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -142.8 | 105.6 | 154.7 | -70.7 | -169 | -179.9 | 174.3 | 0 | 110.4 | S616 | S616-K618 PolarHBondContact O-N 3.25Š| ||
| 619 | S | 20.6 | Very low | 24.8 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -49.1 | 144.5 | 151 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 620 | P | 26.2 | Very low | 24.9 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | -140 | 154.7 | 89.1 | 32.7 | -15.4 | 0 | 0 | 0 | 115.3 | |||||
| 621 | S | 23.2 | Very low | 24.9 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -48.9 | 130.6 | 172.3 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 622 | I | 28.7 | Very low | 25.2 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | trans | -123 | 121.4 | 153.9 | -63.6 | 178.5 | 0 | 0 | 0 | 108.2 | ||||
| 623 | K | 21 | Very low | 25.1 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -70.2 | 129.8 | -178.2 | -63.1 | 169.7 | 176.1 | 177.3 | 0 | 109.5 | ||||
| 624 | H | 24.6 | Very low | 25.1 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -108.8 | 129.6 | 153.2 | -96.4 | -68.3 | 0 | 0 | 0 | 109.7 | ||||
| 625 | P | 25.3 | Very low | 25 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -91.1 | 129.7 | -174.8 | 35 | -29.7 | 0 | 0 | 0 | 110.6 | ||||
| 626 | Y | 24.4 | Very low | 24.9 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -161.6 | 107.5 | 131.7 | -128.5 | -90.2 | 0 | 0 | 0 | 107.7 | ||||
| 627 | V | 23.4 | Very low | 25 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -110 | 123.3 | 169.3 | 170.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 628 | D | 27.9 | Very low | 24.7 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | trans | -152 | 100.4 | 147.7 | -89.1 | -39.2 | 0 | 0 | 0 | 106 | ||||
| 629 | N | 24.7 | Very low | 24.7 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | 74.3 | 87 | 92.8 | -73.2 | -35.4 | 0 | 0 | 0 | 113 | |||||
| 630 | L | 28.3 | Very low | 24.8 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | -132.2 | 116.2 | 151.1 | -92.8 | 135.5 | 0 | 0 | 0 | 108.1 | ||||
| 631 | S | 23.7 | Very low | 24.6 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 156.4 | -176 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 632 | P | 31.4 | Very low | 24.7 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -98.5 | 107.4 | -172.5 | 35 | -26 | 0 | 0 | 0 | 112.2 | ||||
| 633 | S | 22.1 | Very low | 24.4 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -165.6 | 97.1 | 159.2 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 634 | D | 25.3 | Very low | 24.5 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -180 | 97.7 | 136.5 | -87.9 | -17.5 | 0 | 0 | 0 | 109.9 | S636 | D634-S636 PolarHBondContact O-N 2.9Š| ||
| 635 | S | 22.3 | Very low | 24.5 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 102 | 168.9 | 48 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 636 | S | 23.1 | Very low | 24.4 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -179.2 | 80.9 | 148.9 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | D634 S638 | D634-S636 PolarHBondContact O-N 2.9Å; S636-S638 PolarHBondContact O-N 3.38Å | ||
| 637 | Y | 25.3 | Very low | 24.5 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -78.2 | 91.7 | 177.4 | -79.2 | -82.4 | 0 | 0 | 0 | 111.4 | ||||
| 638 | S | 21.7 | Very low | 24.5 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -77.5 | 132.4 | 158.1 | 173.4 | 0 | 0 | 0 | 0 | 109.8 | S636 R640 | S636-S638 PolarHBondContact O-N 3.38Å; S638-R640 PolarHBondContact O-N 3.25Å | ||
| 639 | F | 25 | Very low | 24.5 | Very low | 218 Ų | 218 | 138.2 Ų | 138.2 | 96% | 0.956 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 22.8 | -173.7 | -94.2 | -89 | 0 | 0 | 0 | 116.7 | ||
| 640 | R | 22.9 | Very low | 24.6 | Very low | 213 Ų | 213 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 0.4 | -176.2 | -112.4 | -177.6 | -162.8 | 173.2 | 6.3 | 117.8 | S638 | S638-R640 PolarHBondContact O-N 3.25Š|
| 641 | N | 22.1 | Very low | 24.5 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -111.8 | 75.2 | 176.5 | -68.6 | -17.1 | 0 | 0 | 0 | 110.5 | ||||
| 642 | I | 25.5 | Very low | 24.7 | Very low | 157 Ų | 157 | 134 Ų | 134 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | trans | -55.2 | 128 | 147.9 | -63.7 | 171.6 | 0 | 0 | 0 | 104.6 | K644 | I642-K644 PolarHBondContact O-N 3.36Š| ||
| 643 | P | 23.1 | Very low | 24.7 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | trans | -51.9 | 118.7 | -178 | -21.7 | 30.1 | 0 | 0 | 0 | 107.7 | I645 | P643-I645 PolarHBondContact O-N 3.39Š| ||
| 644 | K | 22.2 | Very low | 25 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 87% | 0.865 | 71% | 0.708 | S | S | * | * | trans | -57.6 | 93.4 | 154.7 | -72.5 | 177.5 | -179.5 | 175.6 | 0 | 103.5 | I642 S646 | I642-K644 PolarHBondContact O-N 3.36Å; K644-S646 PolarHBondContact O-N 2.9Å | ||
| 645 | I | 25 | Very low | 25.5 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -58.8 | 97.6 | 153.3 | -59.1 | 175.1 | 0 | 0 | 0 | 101.4 | P643 V647 | P643-I645 PolarHBondContact O-N 3.39Å; I645-V647 HydrophobicContact CB-CG2 4.2Å; I645-V647 HydrophobicContact CG2-CG2 3.57Å; I645-V647 PolarHBondContact O-N 2.9Å | ||
| 646 | S | 22.8 | Very low | 26.1 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -62.4 | 80.7 | 160.4 | 50.7 | 0 | 0 | 0 | 0 | 104.4 | K644 N648 | K644-S646 PolarHBondContact O-N 2.9Å; S646-N648 VanDerWaalsContact C-N 3.34Å; S646-N648 PolarHBondContact O-N 3.15Å | ||
| 647 | V | 25.9 | Very low | 27.1 | Very low | 63 Ų | 63 | 136.4 Ų | 136.4 | 38% | 0.382 | 69% | 0.688 | S | S | . | * | trans | -60 | 108 | 167 | 178.6 | 0 | 0 | 0 | 0 | 102.8 | I645 S649 D651 L652 | I645-V647 HydrophobicContact CB-CG2 4.2Å; I645-V647 HydrophobicContact CG2-CG2 3.57Å; I645-V647 PolarHBondContact O-N 2.9Å; V647-S649 PolarHBondContact O-N 3.01Å; V647-D651 HydrophobicContact CG1-CB 3.56Å; V647-L652 HydrophobicContact CB-CD1 4.37Å; V647-L652 HydrophobicContact CG1-CD1 3.94Å | ||
| 648 | N | 24.2 | Very low | 28.5 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 56% | 0.556 | 69% | 0.685 | S | S | * | * | trans | -48.3 | 137.8 | 172.8 | -92.8 | -18.3 | 0 | 0 | 0 | 107.1 | S646 Q650 D651 | S646-N648 VanDerWaalsContact C-N 3.34Å; S646-N648 PolarHBondContact O-N 3.15Å; N648-Q650 PolarHBondContact O-N 3.37Å; N648-D651 PolarHBondContact O-N 2.85Å | ||
| 649 | S | 27.3 | Very low | 30.3 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -18.1 | 177.5 | 45.2 | 0 | 0 | 0 | 0 | 113.3 | V647 | V647-S649 PolarHBondContact O-N 3.01Š|
| 650 | Q | 26.7 | Very low | 32.4 | Very low | 151 Ų | 151 | 126 Ų | 126 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -32 | 171.7 | -69.6 | 178.8 | -17.2 | 0 | 0 | 114.1 | N648 S653 | N648-Q650 PolarHBondContact O-N 3.37Å; Q650-S653 PolarHBondContact O-OG 3.3Å |
| 651 | D | 27.4 | Very low | 34.6 | Very low | 70 Ų | 70 | 117.9 Ų | 117.9 | 37% | 0.374 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -23.4 | -177.2 | -74.5 | -34.3 | 0 | 0 | 0 | 113.5 | V647 N648 S653 R654 Y655 | V647-D651 HydrophobicContact CG1-CB 3.56Å; N648-D651 PolarHBondContact O-N 2.85Å; D651-S653 PolarHBondContact O-N 3.06Å; D651-R654 PolarHBondContact O-N 2.76Å; D651-Y655 WeakPolarHBondContact O-CD2 3.48Å |
| 652 | L | 27.5 | Very low | 37 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 58% | 0.576 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.1 | -24 | 172.4 | -100 | 114.2 | 0 | 0 | 0 | 112.8 | V647 R654 | V647-L652 HydrophobicContact CB-CD1 4.37Å; V647-L652 HydrophobicContact CG1-CD1 3.94Å; L652-R654 VanDerWaalsContact C-N 3.29Å; L652-R654 PolarHBondContact O-N 2.94Å |
| 653 | S | 30.8 | Very low | 39.3 | Very low | 82 Ų | 82 | 107.9 Ų | 107.9 | 57% | 0.573 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.5 | -24.9 | 177.9 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | Q650 D651 T657 | Q650-S653 PolarHBondContact O-OG 3.3Å; D651-S653 PolarHBondContact O-N 3.06Å; S653-T657 WeakPolarHBondContact O-CG2 3.37Å |
| 654 | R | 29 | Very low | 41.6 | Very low | 182 Ų | 182 | 104.8 Ų | 104.8 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.6 | -31 | 179.7 | -72.5 | -169.8 | -158.1 | -176.3 | 8.3 | 113.4 | D651 L652 T657 | D651-R654 PolarHBondContact O-N 2.76Å; L652-R654 VanDerWaalsContact C-N 3.29Å; L652-R654 PolarHBondContact O-N 2.94Å; R654-T657 WeakPolarHBondContact O-CG2 3.36Å; R654-T657 PolarHBondContact O-N 3.22Å; R654-T657 PolarHBondContact O-OG1 3.34Å |
| 655 | Y | 35 | Very low | 44 | Very low | 162 Ų | 162 | 95.7 Ų | 95.7 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -78.5 | -22.1 | -171.5 | -69.4 | -77.3 | 0 | 0 | 0 | 114.4 | D651 | D651-Y655 WeakPolarHBondContact O-CD2 3.48Å |
| 656 | N | 36.1 | Very low | 46.6 | Very low | 133 Ų | 133 | 92 Ų | 92 | 71% | 0.711 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 17.5 | 175.8 | -76 | -11.2 | 0 | 0 | 0 | 112.9 | K658 | N656-K658 PolarHBondContact O-N 3.44Š|
| 657 | T | 43.6 | Very low | 48.8 | Very low | 101 Ų | 101 | 89.4 Ų | 89.4 | 62% | 0.62 | 46% | 0.458 | S | S | * | . | trans | -66.3 | 112.4 | -179.2 | 47.3 | 0 | 0 | 0 | 0 | 110.3 | S653 R654 L659 | S653-T657 WeakPolarHBondContact O-CG2 3.37Å; R654-T657 WeakPolarHBondContact O-CG2 3.36Å; R654-T657 PolarHBondContact O-N 3.22Å; R654-T657 PolarHBondContact O-OG1 3.34Å; T657-L659 PolarHBondContact O-N 3.11Å | ||
| 658 | K | 54.8 | Low | 51 | Low | 191 Ų | 191 | 89.3 Ų | 89.3 | 83% | 0.83 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 116.1 | 165.6 | -174.6 | 176.3 | -177.6 | 177 | 0 | 107.4 | N656 T660 | N656-K658 PolarHBondContact O-N 3.44Å; K658-T660 PolarHBondContact O-N 3.5Å |
| 659 | L | 59.6 | Low | 53.4 | Low | 65 Ų | 65 | 85.7 Ų | 85.7 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 128.1 | -177.3 | -165.5 | 64 | 0 | 0 | 0 | 109.9 | T657 D663 R664 I667 | T657-L659 PolarHBondContact O-N 3.11Å; L659-D663 HydrophobicContact CD1-CB 3.38Å; L659-D663 HydrophobicContact CG-CB 3.71Å; L659-R664 HydrophobicContact CB-CG 3.95Å; L659-R664 HydrophobicContact CD2-CB 4.23Å; L659-R664 HydrophobicContact CD2-CG 3.35Å; L659-R664 HydrophobicContact CG-CG 3.62Å; L659-I667 HydrophobicContact CD1-CD1 4.24Å; L659-I667 HydrophobicContact CD2-CD1 3.45Å; L659-I667 VanDerWaalsContact CD2-CD1 3.45Å; L659-I667 HydrophobicContact CG-CD1 4.44Å |
| 660 | T | 69.5 | Low | 55.2 | Low | 64 Ų | 64 | 82.7 Ų | 82.7 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 154.8 | -179.6 | 70.7 | 0 | 0 | 0 | 0 | 110.4 | K658 L662 D663 R664 | K658-T660 PolarHBondContact O-N 3.5Å; T660-L662 PolarHBondContact O-N 2.86Å; T660-D663 WeakPolarHBondContact CB-OD2 3.35Å; T660-D663 WeakPolarHBondContact CG2-OD2 3.37Å; T660-D663 PolarHBondContact O-N 3.21Å; T660-D663 VanDerWaalsContact O-N 3.17Å; T660-D663 WeakPolarHBondContact OG1-CB 3.47Å; T660-D663 PolarHBondContact OG1-N 2.85Å; T660-D663 PolarHBondContact OG1-OD2 2.99Å; T660-R664 WeakPolarHBondContact O-CG 3.33Å; T660-R664 PolarHBondContact O-N 3.3Å |
| 661 | P | 69.3 | Low | 57 | Low | 41 Ų | 41 | 80.5 Ų | 80.5 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.2 | -37.7 | 175.3 | -27.1 | 35.2 | 0 | 0 | 0 | 113.4 | F665 | P661-F665 WeakPolarHBondContact O-CB 3.05Å; P661-F665 PolarHBondContact O-N 3.49Å |
| 662 | L | 72.5 | Confident | 58.7 | Low | 58 Ų | 58 | 79.7 Ų | 79.7 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.7 | -45.4 | 176.6 | -177.8 | 63.2 | 0 | 0 | 0 | 112 | P171 F285 T660 R664 F665 Q666 | P171-L662 HydrophobicContact CG-CD2 4.47Å; F285-L662 HydrophobicContact CE1-CD1 4.43Å; F285-L662 HydrophobicContact CZ-CD1 4.11Å; T660-L662 PolarHBondContact O-N 2.86Å; L662-R664 VanDerWaalsContact C-N 3.28Å; L662-R664 PolarHBondContact O-N 2.93Å; L662-F665 WeakPolarHBondContact O-CB 3.29Å; L662-F665 PolarHBondContact O-N 2.94Å; L662-F665 VanDerWaalsContact O-N 3.15Å; L662-Q666 WeakPolarHBondContact O-CG 3.46Å; L662-Q666 PolarHBondContact O-N 3.21Å |
| 663 | D | 72.6 | Confident | 59.9 | Low | 37 Ų | 37 | 82.7 Ų | 82.7 | 20% | 0.198 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 176.6 | -68.6 | -48.9 | 0 | 0 | 0 | 111.5 | L659 T660 Q666 I667 K672 | L659-D663 HydrophobicContact CD1-CB 3.38Å; L659-D663 HydrophobicContact CG-CB 3.71Å; T660-D663 WeakPolarHBondContact CB-OD2 3.35Å; T660-D663 WeakPolarHBondContact CG2-OD2 3.37Å; T660-D663 PolarHBondContact O-N 3.21Å; T660-D663 VanDerWaalsContact O-N 3.17Å; T660-D663 WeakPolarHBondContact OG1-CB 3.47Å; T660-D663 PolarHBondContact OG1-N 2.85Å; T660-D663 PolarHBondContact OG1-OD2 2.99Å; D663-Q666 PolarHBondContact O-N 2.95Å; D663-I667 VanDerWaalsContact O-CG1 3.27Å; D663-I667 WeakPolarHBondContact O-CG1 3.27Å; D663-I667 PolarHBondContact O-N 3.1Å; D663-K672 IonicContact OD1-NZ 3.02Å; D663-K672 PolarHBondContact OD1-NZ 3.31Å |
| 664 | R | 72.4 | Confident | 61 | Low | 38 Ų | 38 | 82.8 Ų | 82.8 | 14% | 0.143 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 173.5 | -72.9 | -173.4 | -46.4 | -147.3 | 3.2 | 111.3 | A372 G373 L659 T660 L662 Q666 I667 I668 | A372-R664 PolarHBondContact O-NH2 3.35Å; G373-R664 PolarHBondContact O-NH1 3.06Å; G373-R664 PolarHBondContact O-NH2 2.93Å; L659-R664 HydrophobicContact CB-CG 3.95Å; L659-R664 HydrophobicContact CD2-CB 4.23Å; L659-R664 HydrophobicContact CD2-CG 3.35Å; L659-R664 HydrophobicContact CG-CG 3.62Å; T660-R664 WeakPolarHBondContact O-CG 3.33Å; T660-R664 PolarHBondContact O-N 3.3Å; L662-R664 VanDerWaalsContact C-N 3.28Å; L662-R664 PolarHBondContact O-N 2.93Å; R664-Q666 VanDerWaalsContact C-N 3.35Å; R664-Q666 PolarHBondContact O-N 3.35Å; R664-I667 PolarHBondContact O-N 3.44Å; R664-I668 VanDerWaalsContact O-CG1 3.29Å; R664-I668 WeakPolarHBondContact O-CG1 3.31Å; R664-I668 PolarHBondContact O-N 2.88Å |
| 665 | F | 73 | Confident | 62 | Low | 9 Ų | 9 | 83.6 Ų | 83.6 | 4% | 0.039 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 178.3 | -175.8 | -108.3 | 0 | 0 | 0 | 111.5 | K281 Y282 F285 Y371 P661 L662 I667 I668 M669 | K281-F665 HydrophobicContact CB-CE2 4.2Å; K281-F665 WeakPolarHBondContact O-CE2 3.4Å; Y282-F665 HydrophobicContact CD1-CE1 4.04Å; Y282-F665 AromaticContact CD1-CZ 3.98Å; Y282-F665 HydrophobicContact CD1-CZ 3.98Å; Y282-F665 HydrophobicContact CD2-CZ 4Å; Y282-F665 AromaticContact CE1-CE1 3.77Å; Y282-F665 HydrophobicContact CE1-CE1 3.77Å; Y282-F665 HydrophobicContact CE1-CZ 4.1Å; Y282-F665 HydrophobicContact CE2-CE1 4.31Å; Y282-F665 HydrophobicContact CE2-CZ 4.09Å; Y282-F665 HydrophobicContact CG-CE1 4.44Å; Y282-F665 AromaticContact CG-CZ 3.94Å; Y282-F665 HydrophobicContact CG-CZ 3.94Å; Y282-F665 AromaticContact CZ-CE1 3.92Å; F285-F665 HydrophobicContact CB-CD2 3.73Å; F285-F665 HydrophobicContact CB-CE2 3.52Å; F285-F665 HydrophobicContact CB-CG 4.38Å; F285-F665 HydrophobicContact CB-CZ 4.01Å; F285-F665 HydrophobicContact CD1-CD1 4.14Å; F285-F665 HydrophobicContact CD1-CD2 4.4Å; F285-F665 HydrophobicContact CD1-CE1 4.26Å; F285-F665 HydrophobicContact CD1-CG 4.21Å; F285-F665 HydrophobicContact CD1-CZ 4.46Å; F285-F665 HydrophobicContact CD2-CB 3.7Å; F285-F665 HydrophobicContact CD2-CD1 4.29Å; F285-F665 AromaticContact CD2-CD2 3.51Å; F285-F665 HydrophobicContact CD2-CD2 3.51Å; F285-F665 HydrophobicContact CD2-CE2 4.21Å; F285-F665 AromaticContact CD2-CG 3.56Å; F285-F665 HydrophobicContact CD2-CG 3.56Å; F285-F665 HydrophobicContact CE1-CD1 4.25Å; F285-F665 HydrophobicContact CE1-CG 4.41Å; F285-F665 HydrophobicContact CE2-CB 3.49Å; F285-F665 VanDerWaalsContact CE2-CB 3.49Å; F285-F665 HydrophobicContact CE2-CD1 4.4Å; F285-F665 HydrophobicContact CE2-CD2 4.21Å; F285-F665 AromaticContact CE2-CG 3.79Å; F285-F665 HydrophobicContact CE2-CG 3.79Å; F285-F665 HydrophobicContact CG-CB 4.4Å; F285-F665 HydrophobicContact CG-CD1 4.16Å; F285-F665 AromaticContact CG-CD2 3.63Å; F285-F665 HydrophobicContact CG-CD2 3.63Å; F285-F665 HydrophobicContact CG-CE1 4.35Å; F285-F665 AromaticContact CG-CE2 3.86Å; F285-F665 HydrophobicContact CG-CE2 3.86Å; F285-F665 AromaticContact CG-CG 3.79Å; F285-F665 HydrophobicContact CG-CG 3.79Å; F285-F665 HydrophobicContact CG-CZ 4.22Å; F285-F665 HydrophobicContact CZ-CB 4.03Å; F285-F665 HydrophobicContact CZ-CD1 4.36Å; F285-F665 HydrophobicContact CZ-CG 4.2Å; Y371-F665 HydrophobicContact CD1-CD2 4Å; Y371-F665 AromaticContact CD1-CE2 3.96Å; Y371-F665 HydrophobicContact CD1-CE2 3.96Å; P661-F665 WeakPolarHBondContact O-CB 3.05Å; P661-F665 PolarHBondContact O-N 3.49Å; L662-F665 WeakPolarHBondContact O-CB 3.29Å; L662-F665 PolarHBondContact O-N 2.94Å; L662-F665 VanDerWaalsContact O-N 3.15Å; F665-I667 VanDerWaalsContact C-N 3.28Å; F665-I667 PolarHBondContact O-N 3.17Å; F665-I668 PolarHBondContact O-N 3.05Å; F665-I668 VanDerWaalsContact O-N 3.08Å; F665-M669 HydrophobicContact CD1-CG 4.11Å; F665-M669 HydrophobicContact CD2-CG 4.42Å; F665-M669 HydrophobicContact CE1-CG 3.72Å; F665-M669 HydrophobicContact CE1-SD 4.44Å; F665-M669 HydrophobicContact CE2-CG 4.05Å; F665-M669 HydrophobicContact CE2-SD 4.08Å; F665-M669 HydrophobicContact CG-CG 4.44Å; F665-M669 HydrophobicContact CZ-CG 3.68Å; F665-M669 HydrophobicContact CZ-SD 3.83Å; F665-M669 WeakPolarHBondContact O-CG 3.12Å; F665-M669 PolarHBondContact O-N 3.09Å |
| 666 | Q | 77.9 | Confident | 62.7 | Low | 63 Ų | 63 | 80 Ų | 80 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 175.4 | -71.3 | 176.5 | -10.3 | 0 | 0 | 112.9 | L662 D663 R664 G670 V671 K672 | L662-Q666 WeakPolarHBondContact O-CG 3.46Å; L662-Q666 PolarHBondContact O-N 3.21Å; D663-Q666 PolarHBondContact O-N 2.95Å; R664-Q666 VanDerWaalsContact C-N 3.35Å; R664-Q666 PolarHBondContact O-N 3.35Å; Q666-G670 PolarHBondContact O-N 2.72Å; Q666-G670 VanDerWaalsContact O-N 3.16Å; Q666-V671 HydrophobicContact CB-CB 4.39Å; Q666-V671 PolarHBondContact O-N 3.18Å; Q666-K672 HydrophobicContact CB-CB 3.8Å; Q666-K672 PolarHBondContact O-N 2.97Å; Q666-K672 VanDerWaalsContact O-N 3.14Å |
| 667 | I | 70.8 | Confident | 63 | Low | 46 Ų | 46 | 75.5 Ų | 75.5 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 173.8 | -66.6 | 171 | 0 | 0 | 0 | 111.1 | L659 D663 R664 F665 M669 G670 K672 P674 | L659-I667 HydrophobicContact CD1-CD1 4.24Å; L659-I667 HydrophobicContact CD2-CD1 3.45Å; L659-I667 VanDerWaalsContact CD2-CD1 3.45Å; L659-I667 HydrophobicContact CG-CD1 4.44Å; D663-I667 VanDerWaalsContact O-CG1 3.27Å; D663-I667 WeakPolarHBondContact O-CG1 3.27Å; D663-I667 PolarHBondContact O-N 3.1Å; R664-I667 PolarHBondContact O-N 3.44Å; F665-I667 VanDerWaalsContact C-N 3.28Å; F665-I667 PolarHBondContact O-N 3.17Å; I667-M669 VanDerWaalsContact C-N 3.26Å; I667-M669 PolarHBondContact O-N 2.67Å; I667-G670 PolarHBondContact O-N 2.94Å; I667-K672 WeakPolarHBondContact CA-O 3.4Å; I667-K672 HydrophobicContact CG1-CB 4Å; I667-K672 HydrophobicContact CG1-CG 4.12Å; I667-K672 WeakPolarHBondContact CG1-O 3.29Å; I667-P674 HydrophobicContact CD1-CB 4.21Å |
| 668 | I | 71 | Confident | 62.7 | Low | 61 Ų | 61 | 76.3 Ų | 76.3 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.9 | -31.9 | 177 | -66.7 | 163.6 | 0 | 0 | 0 | 111.8 | K281 R370 Y371 R664 F665 G670 | K281-I668 PolarHBondContact NZ-O 3.18Å; R370-I668 WeakPolarHBondContact O-CD1 3.49Å; Y371-I668 HydrophobicContact CD1-CG2 4.33Å; Y371-I668 HydrophobicContact CE1-CG2 3.67Å; R664-I668 VanDerWaalsContact O-CG1 3.29Å; R664-I668 WeakPolarHBondContact O-CG1 3.31Å; R664-I668 PolarHBondContact O-N 2.88Å; F665-I668 PolarHBondContact O-N 3.05Å; F665-I668 VanDerWaalsContact O-N 3.08Å; I668-G670 VanDerWaalsContact C-N 3.29Å |
| 669 | M | 74.9 | Confident | 62.1 | Low | 28 Ų | 28 | 74.3 Ų | 74.3 | 14% | 0.138 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.1 | 174 | -65.9 | -53.3 | -58.7 | 0 | 0 | 113.2 | K281 Y282 F665 I667 V671 | K281-M669 HydrophobicContact CB-SD 3.79Å; K281-M669 HydrophobicContact CD-CE 4.22Å; K281-M669 HydrophobicContact CD-SD 3.34Å; K281-M669 WeakPolarHBondContact CD-SD 3.42Å; K281-M669 HydrophobicContact CG-SD 4.2Å; Y282-M669 HydrophobicContact CD2-CE 4.27Å; Y282-M669 HydrophobicContact CE2-CE 3.58Å; Y282-M669 HydrophobicContact CE2-SD 4.21Å; F665-M669 HydrophobicContact CD1-CG 4.11Å; F665-M669 HydrophobicContact CD2-CG 4.42Å; F665-M669 HydrophobicContact CE1-CG 3.72Å; F665-M669 HydrophobicContact CE1-SD 4.44Å; F665-M669 HydrophobicContact CE2-CG 4.05Å; F665-M669 HydrophobicContact CE2-SD 4.08Å; F665-M669 HydrophobicContact CG-CG 4.44Å; F665-M669 HydrophobicContact CZ-CG 3.68Å; F665-M669 HydrophobicContact CZ-SD 3.83Å; F665-M669 WeakPolarHBondContact O-CG 3.12Å; F665-M669 PolarHBondContact O-N 3.09Å; I667-M669 VanDerWaalsContact C-N 3.26Å; I667-M669 PolarHBondContact O-N 2.67Å; M669-V671 VanDerWaalsContact C-N 3.25Å; M669-V671 HydrophobicContact CB-CG2 3.95Å; M669-V671 PolarHBondContact O-N 3.5Å |
| 670 | G | 64.9 | Low | 61.1 | Low | 45 Ų | 45 | 76.1 Ų | 76.1 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 6.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q666 I667 I668 | Q666-G670 PolarHBondContact O-N 2.72Å; Q666-G670 VanDerWaalsContact O-N 3.16Å; I667-G670 PolarHBondContact O-N 2.94Å; I668-G670 VanDerWaalsContact C-N 3.29Å |
| 671 | V | 64.2 | Low | 59.8 | Low | 105 Ų | 105 | 74.1 Ų | 74.1 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -75.7 | -30.9 | 178.9 | -179 | 0 | 0 | 0 | 0 | 111.2 | Q666 M669 | Q666-V671 HydrophobicContact CB-CB 4.39Å; Q666-V671 PolarHBondContact O-N 3.18Å; M669-V671 VanDerWaalsContact C-N 3.25Å; M669-V671 HydrophobicContact CB-CG2 3.95Å; M669-V671 PolarHBondContact O-N 3.5Å |
| 672 | K | 63.9 | Low | 58.5 | Low | 52 Ų | 52 | 78.2 Ų | 78.2 | 23% | 0.226 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -123 | 140.8 | -179.5 | -175.3 | 168.3 | 178.3 | 168.6 | 0 | 111.2 | D663 Q666 I667 | D663-K672 IonicContact OD1-NZ 3.02Å; D663-K672 PolarHBondContact OD1-NZ 3.31Å; Q666-K672 HydrophobicContact CB-CB 3.8Å; Q666-K672 PolarHBondContact O-N 2.97Å; Q666-K672 VanDerWaalsContact O-N 3.14Å; I667-K672 WeakPolarHBondContact CA-O 3.4Å; I667-K672 HydrophobicContact CG1-CB 4Å; I667-K672 HydrophobicContact CG1-CG 4.12Å; I667-K672 WeakPolarHBondContact CG1-O 3.29Å |
| 673 | R | 52.8 | Low | 57 | Low | 174 Ų | 174 | 77.5 Ų | 77.5 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | trans | -88.3 | 141 | 172.2 | -67.6 | -176.9 | 177 | 172.1 | 0.1 | 110.5 | ||||
| 674 | P | 52.8 | Low | 55.6 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | trans | -66.5 | 135.6 | 174.8 | 26.8 | -32.5 | 0 | 0 | 0 | 111 | I667 V676 | I667-P674 HydrophobicContact CD1-CB 4.21Å; P674-V676 PolarHBondContact O-N 3.06Å | ||
| 675 | Y | 50.9 | Low | 54.1 | Low | 199 Ų | 199 | 87.9 Ų | 87.9 | 78% | 0.78 | 45% | 0.447 | S | S | * | . | trans | -75.5 | 113.8 | 168.2 | -65.3 | -76.3 | 0 | 0 | 0 | 108.6 | ||||
| 676 | V | 49.9 | Very low | 52.5 | Low | 85 Ų | 85 | 93.5 Ų | 93.5 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | trans | -94.1 | 111.5 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | P674 Q678 I681 | P674-V676 PolarHBondContact O-N 3.06Å; V676-Q678 PolarHBondContact O-N 3.27Å; V676-I681 HydrophobicContact CG1-CD1 4.44Å; V676-I681 HydrophobicContact CG1-CG1 4.32Å | ||
| 677 | C | 41 | Very low | 51 | Low | 40 Ų | 40 | 91.6 Ų | 91.6 | 27% | 0.27 | 46% | 0.464 | S | S | . | . | trans | -65 | 129.9 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | Q679 L680 | C677-Q679 PolarHBondContact O-N 2.87Å; C677-L680 PolarHBondContact O-N 2.98Å | ||
| 678 | Q | 38.2 | Very low | 49.7 | Very low | 118 Ų | 118 | 92 Ų | 92 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -48.7 | -27.1 | 173 | -162.4 | 106.6 | 11.2 | 0 | 0 | 112.9 | V676 L680 I681 N682 Y694 | V676-Q678 PolarHBondContact O-N 3.27Å; Q678-L680 PolarHBondContact O-N 2.94Å; Q678-I681 WeakPolarHBondContact O-CB 3.32Å; Q678-I681 PolarHBondContact O-N 2.86Å; Q678-N682 PolarHBondContact O-N 3.46Å; Q678-Y694 PolarHBondContact NE2-OH 3.19Å; Q678-Y694 VanDerWaalsContact NE2-OH 3.08Å |
| 679 | Q | 41.2 | Very low | 48.4 | Very low | 149 Ų | 149 | 94.6 Ų | 94.6 | 70% | 0.696 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.9 | -33.4 | 178.6 | -67.6 | 175.6 | -9 | 0 | 0 | 114 | C677 | C677-Q679 PolarHBondContact O-N 2.87Å |
| 680 | L | 40.2 | Very low | 46.9 | Very low | 103 Ų | 103 | 98 Ų | 98 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.9 | -28.9 | 176.4 | -94.6 | 148.5 | 0 | 0 | 0 | 112.1 | C677 Q678 N682 S683 | C677-L680 PolarHBondContact O-N 2.98Å; Q678-L680 PolarHBondContact O-N 2.94Å; L680-N682 VanDerWaalsContact C-N 3.29Å; L680-N682 PolarHBondContact O-N 2.92Å; L680-S683 WeakPolarHBondContact O-CB 3.3Å; L680-S683 PolarHBondContact O-N 3.16Å; L680-S683 VanDerWaalsContact O-N 3.11Å; L680-S683 PolarHBondContact O-OG 2.92Å |
| 681 | I | 42.1 | Very low | 46 | Very low | 21 Ų | 21 | 99.1 Ų | 99.1 | 11% | 0.108 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 177.1 | -55.9 | 177.6 | 0 | 0 | 0 | 110.8 | V676 Q678 S683 A687 T692 | V676-I681 HydrophobicContact CG1-CD1 4.44Å; V676-I681 HydrophobicContact CG1-CG1 4.32Å; Q678-I681 WeakPolarHBondContact O-CB 3.32Å; Q678-I681 PolarHBondContact O-N 2.86Å; I681-S683 VanDerWaalsContact C-N 3.27Å; I681-S683 PolarHBondContact O-N 2.75Å; I681-A687 VanDerWaalsContact O-CB 3.27Å; I681-A687 WeakPolarHBondContact O-CB 3.47Å; I681-T692 HydrophobicContact CD1-CG2 3.57Å |
| 682 | N | 40.9 | Very low | 45.6 | Very low | 127 Ų | 127 | 95.1 Ų | 95.1 | 68% | 0.679 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -8 | 174.8 | -67.2 | -7.5 | 0 | 0 | 0 | 113.1 | Q678 L680 | Q678-N682 PolarHBondContact O-N 3.46Å; L680-N682 VanDerWaalsContact C-N 3.29Å; L680-N682 PolarHBondContact O-N 2.92Å |
| 683 | S | 41.4 | Very low | 45.1 | Very low | 43 Ų | 43 | 98.5 Ų | 98.5 | 30% | 0.301 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -79.7 | 122.6 | 173.8 | 79.4 | 0 | 0 | 0 | 0 | 109.7 | L680 I681 K685 Y686 | L680-S683 WeakPolarHBondContact O-CB 3.3Å; L680-S683 PolarHBondContact O-N 3.16Å; L680-S683 VanDerWaalsContact O-N 3.11Å; L680-S683 PolarHBondContact O-OG 2.92Å; I681-S683 VanDerWaalsContact C-N 3.27Å; I681-S683 PolarHBondContact O-N 2.75Å; S683-K685 PolarHBondContact O-N 3.16Å; S683-Y686 PolarHBondContact O-N 3.2Å |
| 684 | N | 43.7 | Very low | 45.6 | Very low | 124 Ų | 124 | 93.1 Ų | 93.1 | 66% | 0.663 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -12.2 | -174.6 | -81.2 | -24.9 | 0 | 0 | 0 | 116 | ||
| 685 | K | 39.6 | Very low | 46.4 | Very low | 169 Ų | 169 | 89.8 Ų | 89.8 | 74% | 0.735 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -28.9 | -171.8 | -132.4 | 179.5 | -175.8 | -177.8 | 0 | 113.9 | S683 | S683-K685 PolarHBondContact O-N 3.16Š|
| 686 | Y | 40 | Very low | 47.1 | Very low | 128 Ų | 128 | 82 Ų | 82 | 50% | 0.502 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | -3.7 | -173.2 | -57 | -68.8 | 0 | 0 | 0 | 114.5 | S683 P688 T689 | S683-Y686 PolarHBondContact O-N 3.2Å; Y686-P688 VanDerWaalsContact C-N 3.33Å; Y686-T689 PolarHBondContact O-N 3.11Å |
| 687 | A | 46.7 | Very low | 47.7 | Very low | 22 Ų | 22 | 83.8 Ų | 83.8 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | I681 T689 R763 | I681-A687 VanDerWaalsContact O-CB 3.27Å; I681-A687 WeakPolarHBondContact O-CB 3.47Å; A687-T689 PolarHBondContact O-N 3.43Å; A687-R763 PolarHBondContact O-NH1 2.92Å |
| 688 | P | 42.7 | Very low | 48.6 | Very low | 56 Ų | 56 | 90.3 Ų | 90.3 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -17.8 | -173 | -17.5 | 30.9 | 0 | 0 | 0 | 115.4 | Y686 N704 | Y686-P688 VanDerWaalsContact C-N 3.33Å; P688-N704 VanDerWaalsContact C-ND2 3.32Å; P688-N704 WeakPolarHBondContact CA-ND2 3.45Å; P688-N704 PolarHBondContact O-ND2 3.5Å |
| 689 | T | 43.6 | Very low | 50.1 | Low | 115 Ų | 115 | 87 Ų | 87 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -8.7 | -172.1 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | Y686 A687 | Y686-T689 PolarHBondContact O-N 3.11Å; A687-T689 PolarHBondContact O-N 3.43Å |
| 690 | M | 43.3 | Very low | 51.3 | Low | 98 Ų | 98 | 80 Ų | 80 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | trans | -108.1 | 122.8 | -174.7 | -74.8 | -163.7 | 154.2 | 0 | 0 | 113.2 | R763 | M690-R763 PolarHBondContact O-NH2 3.02Å; M690-R763 VanDerWaalsContact O-NH2 3.1Å | ||
| 691 | N | 47.4 | Very low | 52.3 | Low | 69 Ų | 69 | 78.2 Ų | 78.2 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | trans | -90.3 | 135.1 | 172.5 | -57.6 | -46.1 | 0 | 0 | 0 | 110.7 | R697 L700 | N691-R697 VanDerWaalsContact ND2-CB 3.35Å; N691-R697 WeakPolarHBondContact ND2-CB 3.27Å; N691-R697 VanDerWaalsContact ND2-CG 3.26Å; N691-R697 WeakPolarHBondContact ND2-CG 3.44Å; N691-R697 WeakPolarHBondContact OD1-CA 3.36Å; N691-L700 WeakPolarHBondContact OD1-CD2 3.47Å | ||
| 692 | T | 54.8 | Low | 53.3 | Low | 21 Ų | 21 | 78.7 Ų | 78.7 | 13% | 0.129 | 40% | 0.403 | C | S | . | . | trans | -82.1 | 164 | 159.3 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | I681 Y694 E695 | I681-T692 HydrophobicContact CD1-CG2 3.57Å; T692-Y694 HydrophobicContact CG2-CE1 4.03Å; T692-Y694 HydrophobicContact CG2-CE2 4.42Å; T692-Y694 PolarHBondContact O-N 3.3Å; T692-Y694 VanDerWaalsContact O-N 3.15Å; T692-Y694 WeakPolarHBondContact OG1-CD2 3.41Å; T692-Y694 WeakPolarHBondContact OG1-CE2 3.23Å; T692-Y694 VanDerWaalsContact OG1-CZ 3.26Å; T692-E695 PolarHBondContact N-OE2 2.95Å; T692-E695 PolarHBondContact O-N 3.47Å; T692-E695 VanDerWaalsContact OG1-CG 3.24Å; T692-E695 WeakPolarHBondContact OG1-CG 3.27Å; T692-E695 PolarHBondContact OG1-OE2 3.39Å | ||
| 693 | S | 54 | Low | 54.6 | Low | 123 Ų | 123 | 73 Ų | 73 | 86% | 0.86 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.4 | 178 | 49.9 | 0 | 0 | 0 | 0 | 114 | ||
| 694 | Y | 64.3 | Low | 55.7 | Low | 61 Ų | 61 | 71.7 Ų | 71.7 | 24% | 0.239 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 10.3 | -179.7 | 55.9 | -95.9 | 0 | 0 | 0 | 113.7 | Q678 T692 Y768 Y769 | Q678-Y694 PolarHBondContact NE2-OH 3.19Å; Q678-Y694 VanDerWaalsContact NE2-OH 3.08Å; T692-Y694 HydrophobicContact CG2-CE1 4.03Å; T692-Y694 HydrophobicContact CG2-CE2 4.42Å; T692-Y694 PolarHBondContact O-N 3.3Å; T692-Y694 VanDerWaalsContact O-N 3.15Å; T692-Y694 WeakPolarHBondContact OG1-CD2 3.41Å; T692-Y694 WeakPolarHBondContact OG1-CE2 3.23Å; T692-Y694 VanDerWaalsContact OG1-CZ 3.26Å; Y694-Y768 WeakPolarHBondContact O-CD2 3.15Å; Y694-Y768 PolarHBondContact O-N 3.05Å; Y694-Y769 HydrophobicContact CG-CE2 4.47Å |
| 695 | E | 68.9 | Low | 56.7 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -111.1 | 138.7 | 174.1 | -74.5 | 164.5 | 159.6 | 0 | 0 | 110.5 | T692 R697 R763 A766 | T692-E695 PolarHBondContact N-OE2 2.95Å; T692-E695 PolarHBondContact O-N 3.47Å; T692-E695 VanDerWaalsContact OG1-CG 3.24Å; T692-E695 WeakPolarHBondContact OG1-CG 3.27Å; T692-E695 PolarHBondContact OG1-OE2 3.39Å; E695-R697 PolarHBondContact O-N 3.35Å; E695-R763 IonicContact OE1-CZ 2.9Å; E695-R763 IonicContact OE1-NE 2.75Å; E695-R763 PolarHBondContact OE1-NE 3.22Å; E695-R763 IonicContact OE1-NH2 2.74Å; E695-R763 PolarHBondContact OE1-NH2 3.14Å; E695-R763 IonicContact OE2-CZ 3.8Å; E695-R763 IonicContact OE2-NE 3.89Å; E695-R763 IonicContact OE2-NH2 2.71Å; E695-R763 PolarHBondContact OE2-NH2 3.01Å; E695-A766 VanDerWaalsContact CA-O 3.3Å; E695-A766 WeakPolarHBondContact CA-O 3.42Å |
| 696 | N | 65.5 | Low | 57.8 | Low | 37 Ų | 37 | 65 Ų | 65 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | trans | -77.5 | 120.3 | 170.6 | -174.1 | -39 | 0 | 0 | 0 | 109.2 | Y698 I699 L700 A766 Y768 | N696-Y698 VanDerWaalsContact C-N 3.29Å; N696-Y698 PolarHBondContact O-N 3.33Å; N696-Y698 WeakPolarHBondContact OD1-CB 3.47Å; N696-Y698 WeakPolarHBondContact OD1-CD2 3.4Å; N696-Y698 PolarHBondContact OD1-N 3.23Å; N696-I699 HydrophobicContact CB-CB 4.06Å; N696-I699 HydrophobicContact CB-CD1 3.85Å; N696-I699 HydrophobicContact CB-CG1 3.9Å; N696-I699 PolarHBondContact O-N 2.94Å; N696-I699 PolarHBondContact OD1-N 2.9Å; N696-L700 WeakPolarHBondContact O-CB 3.34Å; N696-L700 PolarHBondContact O-N 3.08Å; N696-A766 PolarHBondContact N-O 3.29Å; N696-Y768 WeakPolarHBondContact CA-OH 3.09Å; N696-Y768 HydrophobicContact CB-CE1 3.77Å | ||
| 697 | R | 61.8 | Low | 59.1 | Low | 121 Ų | 121 | 60.3 Ų | 60.3 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -52.8 | -45 | 178.7 | 176.2 | 170.6 | -179.9 | -164.3 | -7 | 112.8 | E552 N691 E695 L700 T701 | E552-R697 IonicContact OE1-NH2 3.92Å; E552-R697 PolarHBondContact OE1-NH2 3.19Å; N691-R697 VanDerWaalsContact ND2-CB 3.35Å; N691-R697 WeakPolarHBondContact ND2-CB 3.27Å; N691-R697 VanDerWaalsContact ND2-CG 3.26Å; N691-R697 WeakPolarHBondContact ND2-CG 3.44Å; N691-R697 WeakPolarHBondContact OD1-CA 3.36Å; E695-R697 PolarHBondContact O-N 3.35Å; R697-L700 PolarHBondContact O-N 3.14Å; R697-T701 PolarHBondContact O-N 2.94Å; R697-T701 PolarHBondContact O-OG1 3.43Å |
| 698 | Y | 60.9 | Low | 59.9 | Low | 177 Ų | 177 | 63.8 Ų | 63.8 | 69% | 0.694 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.6 | -46.7 | -175.4 | -57.1 | -71.9 | 0 | 0 | 0 | 110.9 | N696 L700 T701 V702 | N696-Y698 VanDerWaalsContact C-N 3.29Å; N696-Y698 PolarHBondContact O-N 3.33Å; N696-Y698 WeakPolarHBondContact OD1-CB 3.47Å; N696-Y698 WeakPolarHBondContact OD1-CD2 3.4Å; N696-Y698 PolarHBondContact OD1-N 3.23Å; Y698-L700 VanDerWaalsContact C-N 3.28Å; Y698-L700 PolarHBondContact O-N 3.04Å; Y698-T701 PolarHBondContact O-N 3.5Å; Y698-V702 WeakPolarHBondContact O-CG2 3.38Å; Y698-V702 PolarHBondContact O-N 3.43Å |
| 699 | I | 68.4 | Low | 61 | Low | 49 Ų | 49 | 66.4 Ų | 66.4 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.1 | -56.2 | 177.6 | 0 | 0 | 0 | 110 | N696 T701 V702 C703 A766 L771 | N696-I699 HydrophobicContact CB-CB 4.06Å; N696-I699 HydrophobicContact CB-CD1 3.85Å; N696-I699 HydrophobicContact CB-CG1 3.9Å; N696-I699 PolarHBondContact O-N 2.94Å; N696-I699 PolarHBondContact OD1-N 2.9Å; I699-T701 PolarHBondContact O-N 2.92Å; I699-V702 PolarHBondContact O-N 3.27Å; I699-C703 VanDerWaalsContact O-CB 3.26Å; I699-C703 WeakPolarHBondContact O-CB 3.15Å; I699-C703 PolarHBondContact O-N 3.14Å; I699-C703 PolarHBondContact O-SG 3.16Å; I699-A766 HydrophobicContact CB-CB 4.33Å; I699-A766 HydrophobicContact CG2-CB 4.03Å; I699-L771 HydrophobicContact CD1-CD2 4.15Å |
| 700 | L | 66.3 | Low | 62.2 | Low | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 177.6 | -169.1 | 70.8 | 0 | 0 | 0 | 111.7 | N691 N696 R697 Y698 C703 N704 R763 A766 | N691-L700 WeakPolarHBondContact OD1-CD2 3.47Å; N696-L700 WeakPolarHBondContact O-CB 3.34Å; N696-L700 PolarHBondContact O-N 3.08Å; R697-L700 PolarHBondContact O-N 3.14Å; Y698-L700 VanDerWaalsContact C-N 3.28Å; Y698-L700 PolarHBondContact O-N 3.04Å; L700-C703 PolarHBondContact O-N 3.48Å; L700-N704 VanDerWaalsContact O-CB 3.31Å; L700-N704 WeakPolarHBondContact O-CB 3.39Å; L700-N704 PolarHBondContact O-N 3.29Å; L700-N704 PolarHBondContact O-ND2 3.41Å; L700-N704 PolarHBondContact O-OD1 2.9Å; L700-R763 HydrophobicContact CD1-CG 3.92Å; L700-A766 HydrophobicContact CB-CB 3.93Å; L700-A766 HydrophobicContact CD1-CB 3.75Å; L700-A766 HydrophobicContact CG-CB 4.47Å |
| 701 | T | 62.2 | Low | 63.6 | Low | 66 Ų | 66 | 61.1 Ų | 61.1 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | R697 Y698 I699 N704 Y705 | R697-T701 PolarHBondContact O-N 2.94Å; R697-T701 PolarHBondContact O-OG1 3.43Å; Y698-T701 PolarHBondContact O-N 3.5Å; I699-T701 PolarHBondContact O-N 2.92Å; T701-N704 PolarHBondContact O-N 3.47Å; T701-Y705 WeakPolarHBondContact O-CB 3.37Å; T701-Y705 PolarHBondContact O-N 3.05Å |
| 702 | V | 63.4 | Low | 64.6 | Low | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | F542 Y698 I699 N704 Y705 L706 | F542-V702 HydrophobicContact CD1-CG2 3.6Å; F542-V702 HydrophobicContact CE1-CB 4.25Å; F542-V702 HydrophobicContact CE1-CG2 3.35Å; Y698-V702 WeakPolarHBondContact O-CG2 3.38Å; Y698-V702 PolarHBondContact O-N 3.43Å; I699-V702 PolarHBondContact O-N 3.27Å; V702-N704 VanDerWaalsContact C-N 3.35Å; V702-N704 PolarHBondContact O-N 3Å; V702-Y705 PolarHBondContact O-N 3.41Å; V702-L706 HydrophobicContact CG1-CD1 3.77Å; V702-L706 HydrophobicContact CG1-CG 4.26Å; V702-L706 WeakPolarHBondContact O-CB 3.21Å; V702-L706 VanDerWaalsContact O-CG 3.31Å; V702-L706 WeakPolarHBondContact O-CG 3.34Å; V702-L706 PolarHBondContact O-N 2.89Å |
| 703 | C | 67.9 | Low | 65.3 | Low | 8 Ų | 8 | 72.4 Ų | 72.4 | 5% | 0.054 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | -179.8 | -77.4 | 0 | 0 | 0 | 0 | 111.5 | I699 L700 L706 E707 F762 | I699-C703 VanDerWaalsContact O-CB 3.26Å; I699-C703 WeakPolarHBondContact O-CB 3.15Å; I699-C703 PolarHBondContact O-N 3.14Å; I699-C703 PolarHBondContact O-SG 3.16Å; L700-C703 PolarHBondContact O-N 3.48Å; C703-L706 PolarHBondContact O-N 2.89Å; C703-E707 WeakPolarHBondContact O-CB 3.31Å; C703-E707 PolarHBondContact O-N 2.96Å; C703-F762 HydrophobicContact CB-CB 3.87Å; C703-F762 PolarHBondContact SG-O 3.46Å; C703-F762 VanDerWaalsContact SG-O 3.41Å |
| 704 | N | 64.7 | Low | 66 | Low | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | -179.7 | -67.6 | -15.8 | 0 | 0 | 0 | 111.7 | P688 L700 T701 V702 E707 D708 | P688-N704 VanDerWaalsContact C-ND2 3.32Å; P688-N704 WeakPolarHBondContact CA-ND2 3.45Å; P688-N704 PolarHBondContact O-ND2 3.5Å; L700-N704 VanDerWaalsContact O-CB 3.31Å; L700-N704 WeakPolarHBondContact O-CB 3.39Å; L700-N704 PolarHBondContact O-N 3.29Å; L700-N704 PolarHBondContact O-ND2 3.41Å; L700-N704 PolarHBondContact O-OD1 2.9Å; T701-N704 PolarHBondContact O-N 3.47Å; V702-N704 VanDerWaalsContact C-N 3.35Å; V702-N704 PolarHBondContact O-N 3Å; N704-E707 WeakPolarHBondContact O-CB 3.32Å; N704-E707 PolarHBondContact O-N 3.47Å; N704-D708 WeakPolarHBondContact O-CB 3.34Å; N704-D708 PolarHBondContact O-N 3.36Å |
| 705 | Y | 63.8 | Low | 66.3 | Low | 86 Ų | 86 | 70.9 Ų | 70.9 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 175.2 | -178.3 | -92.1 | 0 | 0 | 0 | 112.3 | W538 T701 V702 E707 D708 K709 | W538-Y705 HydrophobicContact CZ2-CD1 4.34Å; W538-Y705 AromaticContact CZ2-CE1 3.76Å; W538-Y705 HydrophobicContact CZ2-CE1 3.76Å; T701-Y705 WeakPolarHBondContact O-CB 3.37Å; T701-Y705 PolarHBondContact O-N 3.05Å; V702-Y705 PolarHBondContact O-N 3.41Å; Y705-E707 VanDerWaalsContact C-N 3.3Å; Y705-D708 PolarHBondContact O-N 3.46Å; Y705-K709 HydrophobicContact CE1-CD 3.66Å; Y705-K709 HydrophobicContact CE1-CG 4.23Å; Y705-K709 PolarHBondContact O-N 3.23Å; Y705-K709 WeakPolarHBondContact OH-CE 3.39Å; Y705-K709 PolarHBondContact OH-NZ 3.01Å |
| 706 | L | 63.7 | Low | 66.4 | Low | 68 Ų | 68 | 77 Ų | 77 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 174.4 | -72.7 | 176.3 | 0 | 0 | 0 | 110.9 | W538 V702 C703 F710 F762 | W538-L706 HydrophobicContact CH2-CD2 4.07Å; V702-L706 HydrophobicContact CG1-CD1 3.77Å; V702-L706 HydrophobicContact CG1-CG 4.26Å; V702-L706 WeakPolarHBondContact O-CB 3.21Å; V702-L706 VanDerWaalsContact O-CG 3.31Å; V702-L706 WeakPolarHBondContact O-CG 3.34Å; V702-L706 PolarHBondContact O-N 2.89Å; C703-L706 PolarHBondContact O-N 2.89Å; L706-F710 WeakPolarHBondContact O-CB 3.41Å; L706-F710 PolarHBondContact O-N 3.43Å; L706-F762 HydrophobicContact CB-CD2 4.22Å; L706-F762 HydrophobicContact CB-CE2 4.39Å |
| 707 | E | 67.4 | Low | 66.7 | Low | 29 Ų | 29 | 79.9 Ų | 79.9 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -49 | 176.1 | 178.6 | 166.2 | 168 | 0 | 0 | 111.1 | C703 N704 Y705 F710 N711 I760 S761 F762 | C703-E707 WeakPolarHBondContact O-CB 3.31Å; C703-E707 PolarHBondContact O-N 2.96Å; N704-E707 WeakPolarHBondContact O-CB 3.32Å; N704-E707 PolarHBondContact O-N 3.47Å; Y705-E707 VanDerWaalsContact C-N 3.3Å; E707-F710 PolarHBondContact O-N 3.45Å; E707-N711 WeakPolarHBondContact CG-ND2 3.44Å; E707-N711 WeakPolarHBondContact O-CB 3.44Å; E707-N711 PolarHBondContact O-N 3.33Å; E707-N711 PolarHBondContact O-ND2 3.12Å; E707-I760 VanDerWaalsContact CD-O 3.32Å; E707-I760 VanDerWaalsContact CG-O 3.27Å; E707-I760 WeakPolarHBondContact CG-O 3.46Å; E707-S761 WeakPolarHBondContact OE2-CA 3.36Å; E707-F762 HydrophobicContact CB-CD2 3.94Å; E707-F762 PolarHBondContact OE2-N 3.09Å |
| 708 | D | 63.1 | Low | 67.3 | Low | 94 Ų | 94 | 74.3 Ų | 74.3 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -51.6 | 179.4 | -76 | -22.2 | 0 | 0 | 0 | 111.1 | N704 Y705 F710 N711 E712 | N704-D708 WeakPolarHBondContact O-CB 3.34Å; N704-D708 PolarHBondContact O-N 3.36Å; Y705-D708 PolarHBondContact O-N 3.46Å; D708-F710 PolarHBondContact O-N 3.35Å; D708-N711 PolarHBondContact O-N 3.49Å; D708-E712 VanDerWaalsContact O-CB 3.23Å; D708-E712 WeakPolarHBondContact O-CB 3.44Å; D708-E712 PolarHBondContact O-N 3.44Å |
| 709 | K | 66.6 | Low | 68 | Low | 111 Ų | 111 | 69.4 Ų | 69.4 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 178.4 | -87.8 | -161.6 | 166.9 | 174.7 | 0 | 113.1 | Y705 K713 | Y705-K709 HydrophobicContact CE1-CD 3.66Å; Y705-K709 HydrophobicContact CE1-CG 4.23Å; Y705-K709 PolarHBondContact O-N 3.23Å; Y705-K709 WeakPolarHBondContact OH-CE 3.39Å; Y705-K709 PolarHBondContact OH-NZ 3.01Å; K709-K713 WeakPolarHBondContact O-CB 3.04Å; K709-K713 PolarHBondContact O-N 3.16Å; K709-K713 VanDerWaalsContact O-N 3.11Å |
| 710 | F | 67.3 | Low | 68.2 | Low | 85 Ų | 85 | 72.1 Ų | 72.1 | 37% | 0.373 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.7 | -45.8 | -179.2 | -173.1 | -103.6 | 0 | 0 | 0 | 111 | L706 E707 D708 E712 K713 M714 F718 I760 F762 | L706-F710 WeakPolarHBondContact O-CB 3.41Å; L706-F710 PolarHBondContact O-N 3.43Å; E707-F710 PolarHBondContact O-N 3.45Å; D708-F710 PolarHBondContact O-N 3.35Å; F710-E712 PolarHBondContact O-N 2.92Å; F710-K713 PolarHBondContact O-N 2.89Å; F710-M714 HydrophobicContact CD2-CG 4.31Å; F710-M714 HydrophobicContact CE1-CG 4.28Å; F710-M714 HydrophobicContact CE2-CG 4.04Å; F710-M714 HydrophobicContact CZ-CG 4.03Å; F710-M714 VanDerWaalsContact O-CB 3.27Å; F710-M714 WeakPolarHBondContact O-CB 3.2Å; F710-M714 WeakPolarHBondContact O-CG 3.34Å; F710-M714 PolarHBondContact O-N 3.08Å; F710-F718 HydrophobicContact CD1-CZ 4.2Å; F710-F718 AromaticContact CE1-CZ 3.77Å; F710-F718 HydrophobicContact CE1-CZ 3.77Å; F710-I760 HydrophobicContact CE1-CD1 3.84Å; F710-F762 HydrophobicContact CB-CE2 4.32Å; F710-F762 HydrophobicContact CD1-CE2 4.43Å; F710-F762 HydrophobicContact CD1-CZ 4.26Å; F710-F762 HydrophobicContact CG-CE2 4.48Å |
| 711 | N | 72.4 | Confident | 68.4 | Low | 17 Ų | 17 | 77.2 Ų | 77.2 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.5 | -73.1 | -37.7 | 0 | 0 | 0 | 111.8 | E707 D708 K715 F718 I760 | E707-N711 WeakPolarHBondContact CG-ND2 3.44Å; E707-N711 WeakPolarHBondContact O-CB 3.44Å; E707-N711 PolarHBondContact O-N 3.33Å; E707-N711 PolarHBondContact O-ND2 3.12Å; D708-N711 PolarHBondContact O-N 3.49Å; N711-K715 WeakPolarHBondContact O-CA 3.35Å; N711-K715 VanDerWaalsContact O-CB 3.27Å; N711-K715 WeakPolarHBondContact O-CB 3.45Å; N711-K715 PolarHBondContact O-N 3.36Å; N711-F718 WeakPolarHBondContact OD1-CE2 3.31Å; N711-I760 PolarHBondContact ND2-O 3.49Å; N711-I760 PolarHBondContact OD1-N 3.07Å |
| 712 | E | 68.7 | Low | 68.8 | Low | 151 Ų | 151 | 75.1 Ų | 75.1 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.8 | -50.7 | 175.4 | -173 | 179.5 | -171.9 | 0 | 0 | 111.3 | D708 F710 M714 K715 | D708-E712 VanDerWaalsContact O-CB 3.23Å; D708-E712 WeakPolarHBondContact O-CB 3.44Å; D708-E712 PolarHBondContact O-N 3.44Å; F710-E712 PolarHBondContact O-N 2.92Å; E712-M714 PolarHBondContact O-N 3.31Å; E712-K715 WeakPolarHBondContact O-CB 3.5Å; E712-K715 PolarHBondContact O-N 2.91Å |
| 713 | K | 69.9 | Low | 69.2 | Low | 177 Ų | 177 | 77.8 Ų | 77.8 | 77% | 0.77 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.6 | -36.4 | -178.8 | -168.3 | 173.9 | -177.4 | 179 | 0 | 112.9 | K709 F710 | K709-K713 WeakPolarHBondContact O-CB 3.04Å; K709-K713 PolarHBondContact O-N 3.16Å; K709-K713 VanDerWaalsContact O-N 3.11Å; F710-K713 PolarHBondContact O-N 2.89Å |
| 714 | M | 69.9 | Low | 69.5 | Low | 43 Ų | 43 | 79.7 Ų | 79.7 | 21% | 0.212 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -93.5 | -3 | -176.7 | -64.4 | -63.7 | -71.1 | 0 | 0 | 113.7 | F710 E712 Q716 H717 F718 W721 | F710-M714 HydrophobicContact CD2-CG 4.31Å; F710-M714 HydrophobicContact CE1-CG 4.28Å; F710-M714 HydrophobicContact CE2-CG 4.04Å; F710-M714 HydrophobicContact CZ-CG 4.03Å; F710-M714 VanDerWaalsContact O-CB 3.27Å; F710-M714 WeakPolarHBondContact O-CB 3.2Å; F710-M714 WeakPolarHBondContact O-CG 3.34Å; F710-M714 PolarHBondContact O-N 3.08Å; E712-M714 PolarHBondContact O-N 3.31Å; M714-Q716 VanDerWaalsContact C-N 3.33Å; M714-Q716 PolarHBondContact O-N 3.42Å; M714-H717 HydrophobicContact CE-CB 4.2Å; M714-H717 CarbonylContact O-C 3.51Å; M714-H717 WeakPolarHBondContact O-CA 3.46Å; M714-H717 WeakPolarHBondContact O-CB 3.29Å; M714-H717 PolarHBondContact O-N 3.49Å; M714-F718 HydrophobicContact CB-CD1 4.17Å; M714-F718 HydrophobicContact CB-CD2 4.02Å; M714-F718 HydrophobicContact CB-CE1 3.67Å; M714-F718 HydrophobicContact CB-CE2 3.51Å; M714-F718 HydrophobicContact CB-CG 4.32Å; M714-F718 HydrophobicContact CB-CZ 3.3Å; M714-F718 HydrophobicContact CE-CE1 4.29Å; M714-F718 HydrophobicContact CG-CE1 4.4Å; M714-F718 HydrophobicContact CG-CZ 4.06Å; M714-F718 WeakPolarHBondContact O-CG 3.44Å; M714-F718 PolarHBondContact O-N 3.4Å; M714-W721 HydrophobicContact CE-CH2 3.56Å; M714-W721 HydrophobicContact CE-CZ2 4.48Å; M714-W721 HydrophobicContact CE-CZ3 3.98Å |
| 715 | K | 70.3 | Confident | 69.8 | Low | 108 Ų | 108 | 83.8 Ų | 83.8 | 47% | 0.47 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -49.3 | -50.1 | -174.1 | -170.4 | 177.6 | 178.7 | -177 | 0 | 113.3 | N711 E712 H717 F718 I719 | N711-K715 WeakPolarHBondContact O-CA 3.35Å; N711-K715 VanDerWaalsContact O-CB 3.27Å; N711-K715 WeakPolarHBondContact O-CB 3.45Å; N711-K715 PolarHBondContact O-N 3.36Å; E712-K715 WeakPolarHBondContact O-CB 3.5Å; E712-K715 PolarHBondContact O-N 2.91Å; K715-H717 VanDerWaalsContact C-N 3.35Å; K715-H717 PolarHBondContact O-N 3.03Å; K715-F718 PolarHBondContact O-N 3.49Å; K715-I719 HydrophobicContact CG-CD1 4.11Å; K715-I719 WeakPolarHBondContact O-CG1 3.32Å; K715-I719 PolarHBondContact O-N 3.34Å |
| 716 | Q | 70 | Confident | 70.2 | Confident | 142 Ų | 142 | 84.3 Ų | 84.3 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | -178.9 | -65.2 | -63.6 | -15.5 | 0 | 0 | 111.6 | M714 H720 | M714-Q716 VanDerWaalsContact C-N 3.33Å; M714-Q716 PolarHBondContact O-N 3.42Å; Q716-H720 WeakPolarHBondContact O-CB 3.32Å; Q716-H720 PolarHBondContact O-N 2.92Å |
| 717 | H | 71.8 | Confident | 70.6 | Confident | 99 Ų | 99 | 85 Ų | 85 | 46% | 0.458 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 176 | -66.9 | -65.4 | 0 | 0 | 0 | 112 | M714 K715 H720 W721 | M714-H717 HydrophobicContact CE-CB 4.2Å; M714-H717 CarbonylContact O-C 3.51Å; M714-H717 WeakPolarHBondContact O-CA 3.46Å; M714-H717 WeakPolarHBondContact O-CB 3.29Å; M714-H717 PolarHBondContact O-N 3.49Å; K715-H717 VanDerWaalsContact C-N 3.35Å; K715-H717 PolarHBondContact O-N 3.03Å; H717-H720 PolarHBondContact O-N 3.24Å; H717-W721 HydrophobicContact CB-CH2 4.36Å; H717-W721 HydrophobicContact CB-CZ2 4.18Å; H717-W721 WeakPolarHBondContact O-CB 3.36Å; H717-W721 PolarHBondContact O-N 3Å |
| 718 | F | 75.4 | Confident | 70.7 | Confident | 3 Ų | 3 | 93.1 Ų | 93.1 | 1% | 0.013 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.9 | -66.6 | -23.7 | 0 | 0 | 0 | 112.5 | F710 N711 M714 K715 H720 W721 C722 L736 P758 I760 | F710-F718 HydrophobicContact CD1-CZ 4.2Å; F710-F718 AromaticContact CE1-CZ 3.77Å; F710-F718 HydrophobicContact CE1-CZ 3.77Å; N711-F718 WeakPolarHBondContact OD1-CE2 3.31Å; M714-F718 HydrophobicContact CB-CD1 4.17Å; M714-F718 HydrophobicContact CB-CD2 4.02Å; M714-F718 HydrophobicContact CB-CE1 3.67Å; M714-F718 HydrophobicContact CB-CE2 3.51Å; M714-F718 HydrophobicContact CB-CG 4.32Å; M714-F718 HydrophobicContact CB-CZ 3.3Å; M714-F718 HydrophobicContact CE-CE1 4.29Å; M714-F718 HydrophobicContact CG-CE1 4.4Å; M714-F718 HydrophobicContact CG-CZ 4.06Å; M714-F718 WeakPolarHBondContact O-CG 3.44Å; M714-F718 PolarHBondContact O-N 3.4Å; K715-F718 PolarHBondContact O-N 3.49Å; F718-H720 VanDerWaalsContact C-N 3.34Å; F718-H720 PolarHBondContact O-N 3.2Å; F718-W721 AromaticContact CD1-CE3 3.87Å; F718-W721 HydrophobicContact CD1-CE3 3.87Å; F718-W721 AromaticContact CD1-CZ3 3.86Å; F718-W721 HydrophobicContact CD1-CZ3 3.86Å; F718-W721 HydrophobicContact CE1-CE3 4.36Å; F718-W721 AromaticContact CE1-CZ3 3.92Å; F718-W721 HydrophobicContact CE1-CZ3 3.92Å; F718-W721 PolarHBondContact O-N 3.27Å; F718-C722 WeakPolarHBondContact O-CB 3.41Å; F718-C722 PolarHBondContact O-N 3.33Å; F718-C722 PolarHBondContact O-SG 2.94Å; F718-C722 VanDerWaalsContact O-SG 3.35Å; F718-L736 HydrophobicContact CB-CD1 3.96Å; F718-L736 HydrophobicContact CD1-CD1 3.71Å; F718-L736 HydrophobicContact CD1-CD2 3.83Å; F718-L736 HydrophobicContact CD1-CG 4.46Å; F718-L736 HydrophobicContact CD2-CD2 4.41Å; F718-L736 HydrophobicContact CE1-CD1 4.47Å; F718-L736 HydrophobicContact CE1-CD2 3.87Å; F718-L736 HydrophobicContact CE2-CD2 4.44Å; F718-L736 HydrophobicContact CG-CD1 3.99Å; F718-L736 HydrophobicContact CG-CD2 4.13Å; F718-L736 HydrophobicContact CZ-CD2 4.19Å; F718-P758 HydrophobicContact CB-CB 3.95Å; F718-P758 HydrophobicContact CB-CG 3.69Å; F718-I760 HydrophobicContact CE1-CD1 4.07Å; F718-I760 HydrophobicContact CZ-CD1 3.76Å; F718-I760 HydrophobicContact CZ-CG1 4.35Å |
| 719 | I | 74.8 | Confident | 71.2 | Confident | 75 Ų | 75 | 88.7 Ų | 88.7 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 175.4 | -66.8 | 166.2 | 0 | 0 | 0 | 109.9 | K715 W721 C722 S723 P758 | K715-I719 HydrophobicContact CG-CD1 4.11Å; K715-I719 WeakPolarHBondContact O-CG1 3.32Å; K715-I719 PolarHBondContact O-N 3.34Å; I719-W721 PolarHBondContact O-N 3.04Å; I719-C722 PolarHBondContact O-N 3.49Å; I719-S723 WeakPolarHBondContact O-CB 3.49Å; I719-S723 PolarHBondContact O-N 2.83Å; I719-P758 HydrophobicContact CG1-CG 4.25Å |
| 720 | H | 71.8 | Confident | 71.3 | Confident | 106 Ų | 106 | 87.6 Ų | 87.6 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 177.2 | -179.6 | 68.8 | 0 | 0 | 0 | 111.7 | Q716 H717 F718 C722 S723 L724 | Q716-H720 WeakPolarHBondContact O-CB 3.32Å; Q716-H720 PolarHBondContact O-N 2.92Å; H717-H720 PolarHBondContact O-N 3.24Å; F718-H720 VanDerWaalsContact C-N 3.34Å; F718-H720 PolarHBondContact O-N 3.2Å; H720-C722 PolarHBondContact O-N 3.37Å; H720-S723 PolarHBondContact O-N 3.03Å; H720-S723 VanDerWaalsContact O-N 3.16Å; H720-S723 PolarHBondContact O-OG 3.11Å; H720-L724 PolarHBondContact O-N 2.96Å |
| 721 | W | 71.7 | Confident | 71.5 | Confident | 108 Ų | 108 | 85.9 Ų | 85.9 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 179.8 | -64.3 | -23.1 | 0 | 0 | 0 | 113 | M714 H717 F718 I719 S723 L724 G729 A732 | M714-W721 HydrophobicContact CE-CH2 3.56Å; M714-W721 HydrophobicContact CE-CZ2 4.48Å; M714-W721 HydrophobicContact CE-CZ3 3.98Å; H717-W721 HydrophobicContact CB-CH2 4.36Å; H717-W721 HydrophobicContact CB-CZ2 4.18Å; H717-W721 WeakPolarHBondContact O-CB 3.36Å; H717-W721 PolarHBondContact O-N 3Å; F718-W721 AromaticContact CD1-CE3 3.87Å; F718-W721 HydrophobicContact CD1-CE3 3.87Å; F718-W721 AromaticContact CD1-CZ3 3.86Å; F718-W721 HydrophobicContact CD1-CZ3 3.86Å; F718-W721 HydrophobicContact CE1-CE3 4.36Å; F718-W721 AromaticContact CE1-CZ3 3.92Å; F718-W721 HydrophobicContact CE1-CZ3 3.92Å; F718-W721 PolarHBondContact O-N 3.27Å; I719-W721 PolarHBondContact O-N 3.04Å; W721-S723 PolarHBondContact O-N 3.45Å; W721-L724 PolarHBondContact O-N 2.85Å; W721-G729 WeakPolarHBondContact O-CA 3.16Å; W721-A732 HydrophobicContact CB-CB 3.7Å |
| 722 | C | 70.1 | Confident | 71.3 | Confident | 23 Ų | 23 | 85.5 Ų | 85.5 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.9 | -24.5 | 175.3 | -72 | 0 | 0 | 0 | 0 | 113.2 | F718 I719 H720 L724 R733 | F718-C722 WeakPolarHBondContact O-CB 3.41Å; F718-C722 PolarHBondContact O-N 3.33Å; F718-C722 PolarHBondContact O-SG 2.94Å; F718-C722 VanDerWaalsContact O-SG 3.35Å; I719-C722 PolarHBondContact O-N 3.49Å; H720-C722 PolarHBondContact O-N 3.37Å; C722-L724 VanDerWaalsContact C-N 3.35Å; C722-R733 HydrophobicContact CB-CG 4.19Å |
| 723 | S | 72 | Confident | 71.5 | Confident | 85 Ų | 85 | 83.3 Ų | 83.3 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -77.3 | -17 | 178.4 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | I719 H720 W721 | I719-S723 WeakPolarHBondContact O-CB 3.49Å; I719-S723 PolarHBondContact O-N 2.83Å; H720-S723 PolarHBondContact O-N 3.03Å; H720-S723 VanDerWaalsContact O-N 3.16Å; H720-S723 PolarHBondContact O-OG 3.11Å; W721-S723 PolarHBondContact O-N 3.45Å |
| 724 | L | 73.6 | Confident | 71.4 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | trans | -70.1 | 136.1 | -178.8 | -64.4 | 170 | 0 | 0 | 0 | 111.4 | H720 W721 C722 D726 G729 | H720-L724 PolarHBondContact O-N 2.96Å; W721-L724 PolarHBondContact O-N 2.85Å; C722-L724 VanDerWaalsContact C-N 3.35Å; L724-D726 VanDerWaalsContact C-N 3.29Å; L724-G729 WeakPolarHBondContact O-CA 3.35Å | ||
| 725 | S | 70.6 | Confident | 71.3 | Confident | 101 Ų | 101 | 78.6 Ų | 78.6 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | trans | -76.3 | -16.8 | 175.1 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 726 | D | 72.9 | Confident | 71 | Confident | 98 Ų | 98 | 73.8 Ų | 73.8 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -76 | 175.3 | -172.4 | -59.6 | -22.4 | 0 | 0 | 0 | 113.1 | L724 R728 G729 R730 | L724-D726 VanDerWaalsContact C-N 3.29Å; D726-R728 PolarHBondContact O-N 2.85Å; D726-R728 VanDerWaalsContact O-N 3.09Å; D726-G729 PolarHBondContact O-N 3.39Å; D726-R730 PolarHBondContact O-N 3.33Å; D726-R730 VanDerWaalsContact O-N 3.1Å |
| 727 | I | 72.2 | Confident | 70.7 | Confident | 82 Ų | 82 | 69 Ų | 69 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -47.4 | -39.6 | 171 | -56.3 | 177.9 | 0 | 0 | 0 | 110.7 | G729 R730 F731 L813 | I727-G729 PolarHBondContact O-N 2.9Å; I727-R730 PolarHBondContact O-N 3.49Å; I727-F731 WeakPolarHBondContact O-CB 3.32Å; I727-F731 PolarHBondContact O-N 2.73Å; I727-L813 HydrophobicContact CB-CD1 4.38Å; I727-L813 HydrophobicContact CD1-CD1 4.13Å; I727-L813 HydrophobicContact CG1-CD1 3.77Å; I727-L813 HydrophobicContact CG2-CD1 4.04Å |
| 728 | R | 69.2 | Low | 69.8 | Low | 200 Ų | 200 | 68.7 Ų | 68.7 | 76% | 0.755 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.7 | -41.9 | 176.7 | -65.4 | -177.9 | 180 | -177.6 | 0.4 | 112.8 | D726 A732 | D726-R728 PolarHBondContact O-N 2.85Å; D726-R728 VanDerWaalsContact O-N 3.09Å; R728-A732 WeakPolarHBondContact O-CB 3.47Å; R728-A732 PolarHBondContact O-N 3.22Å |
| 729 | G | 73 | Confident | 68.2 | Low | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -79.6 | -24.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | W721 L724 D726 I727 R733 | W721-G729 WeakPolarHBondContact O-CA 3.16Å; L724-G729 WeakPolarHBondContact O-CA 3.35Å; D726-G729 PolarHBondContact O-N 3.39Å; I727-G729 PolarHBondContact O-N 2.9Å; G729-R733 WeakPolarHBondContact O-CB 3.14Å; G729-R733 VanDerWaalsContact O-CG 3.32Å; G729-R733 WeakPolarHBondContact O-CG 3.38Å; G729-R733 PolarHBondContact O-N 3.46Å; G729-R733 PolarHBondContact O-NE 3.45Å; G729-R733 VanDerWaalsContact O-NE 3.17Å |
| 730 | R | 69.4 | Low | 66.5 | Low | 89 Ų | 89 | 75.6 Ų | 75.6 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.8 | -45.2 | 166.7 | -71.5 | -171.3 | 176.3 | -159.4 | -2.6 | 111.6 | D726 I727 A732 R733 Q734 E816 | D726-R730 PolarHBondContact O-N 3.33Å; D726-R730 VanDerWaalsContact O-N 3.1Å; I727-R730 PolarHBondContact O-N 3.49Å; R730-A732 PolarHBondContact O-N 2.82Å; R730-R733 PolarHBondContact O-N 3.33Å; R730-Q734 PolarHBondContact O-N 3.01Å; R730-E816 IonicContact CZ-OE2 2.65Å; R730-E816 IonicContact NH1-OE2 2.79Å; R730-E816 PolarHBondContact NH1-OE2 3.03Å; R730-E816 IonicContact NH2-OE1 3.61Å; R730-E816 IonicContact NH2-OE2 2.72Å; R730-E816 PolarHBondContact NH2-OE2 3.38Å |
| 731 | F | 71.5 | Confident | 64.6 | Low | 49 Ų | 49 | 75.8 Ų | 75.8 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 174 | -177.2 | -95.5 | 0 | 0 | 0 | 111.8 | I727 R733 Q734 I735 L802 E805 F806 T809 | I727-F731 WeakPolarHBondContact O-CB 3.32Å; I727-F731 PolarHBondContact O-N 2.73Å; F731-R733 PolarHBondContact O-N 2.78Å; F731-Q734 PolarHBondContact O-N 2.78Å; F731-I735 HydrophobicContact CD1-CD1 3.98Å; F731-I735 HydrophobicContact CE1-CD1 3.38Å; F731-I735 HydrophobicContact CE2-CD1 3.99Å; F731-I735 HydrophobicContact CZ-CD1 3.39Å; F731-I735 PolarHBondContact O-N 3.01Å; F731-L802 HydrophobicContact CE1-CD2 4.38Å; F731-L802 HydrophobicContact CZ-CD2 3.92Å; F731-E805 HydrophobicContact CD2-CB 4.3Å; F731-E805 HydrophobicContact CE2-CB 3.57Å; F731-E805 HydrophobicContact CZ-CB 4.25Å; F731-F806 HydrophobicContact CE2-CB 4.25Å; F731-T809 HydrophobicContact CB-CG2 4.27Å; F731-T809 HydrophobicContact CD2-CG2 4.15Å |
| 732 | A | 69.4 | Low | 62.6 | Low | 8 Ų | 8 | 75.3 Ų | 75.3 | 7% | 0.066 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W721 R728 R730 Q734 I735 L736 | W721-A732 HydrophobicContact CB-CB 3.7Å; R728-A732 WeakPolarHBondContact O-CB 3.47Å; R728-A732 PolarHBondContact O-N 3.22Å; R730-A732 PolarHBondContact O-N 2.82Å; A732-Q734 VanDerWaalsContact C-N 3.34Å; A732-Q734 PolarHBondContact O-N 3.5Å; A732-I735 PolarHBondContact O-N 3.01Å; A732-L736 HydrophobicContact CB-CD1 4.17Å; A732-L736 WeakPolarHBondContact O-CB 3.33Å; A732-L736 WeakPolarHBondContact O-CG 3.3Å; A732-L736 PolarHBondContact O-N 3.41Å |
| 733 | R | 71.1 | Confident | 60.7 | Low | 106 Ų | 106 | 82.5 Ų | 82.5 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 177.5 | -78 | -179.4 | -81.9 | 179.5 | -10.9 | 113.4 | C722 G729 R730 F731 L737 | C722-R733 HydrophobicContact CB-CG 4.19Å; G729-R733 WeakPolarHBondContact O-CB 3.14Å; G729-R733 VanDerWaalsContact O-CG 3.32Å; G729-R733 WeakPolarHBondContact O-CG 3.38Å; G729-R733 PolarHBondContact O-N 3.46Å; G729-R733 PolarHBondContact O-NE 3.45Å; G729-R733 VanDerWaalsContact O-NE 3.17Å; R730-R733 PolarHBondContact O-N 3.33Å; F731-R733 PolarHBondContact O-N 2.78Å; R733-L737 HydrophobicContact CB-CD1 4.32Å; R733-L737 HydrophobicContact CG-CD1 4.08Å; R733-L737 VanDerWaalsContact O-CB 3.31Å; R733-L737 WeakPolarHBondContact O-CB 3.47Å; R733-L737 PolarHBondContact O-N 3.48Å |
| 734 | Q | 67.8 | Low | 58.6 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70 | -36.3 | 179.8 | -173.6 | 166.6 | -26.5 | 0 | 0 | 112.8 | R730 F731 A732 E805 | R730-Q734 PolarHBondContact O-N 3.01Å; F731-Q734 PolarHBondContact O-N 2.78Å; A732-Q734 VanDerWaalsContact C-N 3.34Å; A732-Q734 PolarHBondContact O-N 3.5Å; Q734-E805 VanDerWaalsContact CD-OE2 3.23Å; Q734-E805 WeakPolarHBondContact CG-OE2 3.48Å; Q734-E805 PolarHBondContact NE2-OE2 3.38Å |
| 735 | I | 68.1 | Low | 56.3 | Low | 46 Ų | 46 | 93 Ų | 93 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -82.8 | -41.5 | 179 | -64.9 | 174.9 | 0 | 0 | 0 | 111.7 | F731 A732 L802 E805 | F731-I735 HydrophobicContact CD1-CD1 3.98Å; F731-I735 HydrophobicContact CE1-CD1 3.38Å; F731-I735 HydrophobicContact CE2-CD1 3.99Å; F731-I735 HydrophobicContact CZ-CD1 3.39Å; F731-I735 PolarHBondContact O-N 3.01Å; A732-I735 PolarHBondContact O-N 3.01Å; I735-L802 HydrophobicContact CD1-CD2 4.4Å; I735-E805 HydrophobicContact CD1-CB 4.4Å; I735-E805 HydrophobicContact CD1-CG 4.37Å; I735-E805 HydrophobicContact CG1-CG 4.22Å |
| 736 | L | 64.5 | Low | 54.3 | Low | 7 Ų | 7 | 97 Ų | 97 | 4% | 0.037 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -93.3 | -22.6 | -168.2 | -60.3 | 171.3 | 0 | 0 | 0 | 114.3 | F718 A732 P758 R759 I760 | F718-L736 HydrophobicContact CB-CD1 3.96Å; F718-L736 HydrophobicContact CD1-CD1 3.71Å; F718-L736 HydrophobicContact CD1-CD2 3.83Å; F718-L736 HydrophobicContact CD1-CG 4.46Å; F718-L736 HydrophobicContact CD2-CD2 4.41Å; F718-L736 HydrophobicContact CE1-CD1 4.47Å; F718-L736 HydrophobicContact CE1-CD2 3.87Å; F718-L736 HydrophobicContact CE2-CD2 4.44Å; F718-L736 HydrophobicContact CG-CD1 3.99Å; F718-L736 HydrophobicContact CG-CD2 4.13Å; F718-L736 HydrophobicContact CZ-CD2 4.19Å; A732-L736 HydrophobicContact CB-CD1 4.17Å; A732-L736 WeakPolarHBondContact O-CB 3.33Å; A732-L736 WeakPolarHBondContact O-CG 3.3Å; A732-L736 PolarHBondContact O-N 3.41Å; L736-P758 HydrophobicContact CB-CB 3.62Å; L736-P758 HydrophobicContact CD1-CB 4.18Å; L736-P758 HydrophobicContact CG-CB 4.41Å; L736-P758 WeakPolarHBondContact O-CA 3.33Å; L736-R759 PolarHBondContact O-N 3.29Å; L736-I760 HydrophobicContact CD2-CD1 3.66Å; L736-I760 HydrophobicContact CD2-CG1 3.46Å; L736-I760 VanDerWaalsContact CD2-CG1 3.46Å |
| 737 | L | 64 | Low | 52 | Low | 42 Ų | 42 | 101.3 Ų | 101.3 | 22% | 0.22 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -98.8 | 137.6 | 174.1 | -80.4 | 75.2 | 0 | 0 | 0 | 109.7 | R733 S739 N756 P758 | R733-L737 HydrophobicContact CB-CD1 4.32Å; R733-L737 HydrophobicContact CG-CD1 4.08Å; R733-L737 VanDerWaalsContact O-CB 3.31Å; R733-L737 WeakPolarHBondContact O-CB 3.47Å; R733-L737 PolarHBondContact O-N 3.48Å; L737-S739 PolarHBondContact O-N 2.9Å; L737-N756 HydrophobicContact CD2-CB 4.2Å; L737-P758 HydrophobicContact CD1-CB 4.43Å |
| 738 | P | 51.7 | Low | 50 | Low | 92 Ų | 92 | 106.2 Ų | 106.2 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 124.8 | 171.4 | -20.1 | 30.1 | 0 | 0 | 0 | 109.8 | L740 | P738-L740 PolarHBondContact O-N 3.37Å; P738-L740 VanDerWaalsContact O-N 3.11Å |
| 739 | S | 42 | Very low | 48.1 | Very low | 89 Ų | 89 | 102.4 Ų | 102.4 | 62% | 0.622 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 119.1 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | L737 S741 | L737-S739 PolarHBondContact O-N 2.9Å; S739-S741 PolarHBondContact O-N 3.35Å |
| 740 | L | 38.9 | Very low | 46 | Very low | 134 Ų | 134 | 110.6 Ų | 110.6 | 70% | 0.702 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -62.6 | 3.2 | -176.7 | -108.8 | 85.6 | 0 | 0 | 0 | 115.1 | P738 S742 | P738-L740 PolarHBondContact O-N 3.37Å; P738-L740 VanDerWaalsContact O-N 3.11Å; L740-S742 VanDerWaalsContact C-N 3.27Å; L740-S742 PolarHBondContact O-N 3.49Å |
| 741 | S | 32.7 | Very low | 43.9 | Very low | 109 Ų | 109 | 112.6 Ų | 112.6 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -79.4 | 2.5 | -173.9 | 64.3 | 0 | 0 | 0 | 0 | 115.6 | S739 | S739-S741 PolarHBondContact O-N 3.35Š|
| 742 | S | 30.9 | Very low | 41.7 | Very low | 98 Ų | 98 | 114.3 Ų | 114.3 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -109.5 | 6.6 | -179.7 | -61.8 | 0 | 0 | 0 | 0 | 115 | L740 | L740-S742 VanDerWaalsContact C-N 3.27Å; L740-S742 PolarHBondContact O-N 3.49Å |
| 743 | Y | 28.5 | Very low | 39.7 | Very low | 175 Ų | 175 | 119 Ų | 119 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | trans | -99.4 | 114.5 | 174.1 | -74 | -82.4 | 0 | 0 | 0 | 110.9 | R745 | Y743-R745 PolarHBondContact O-N 3.36Š| ||
| 744 | P | 28 | Very low | 37.7 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | trans | -63.4 | 130.3 | 161.5 | -3 | 17.5 | 0 | 0 | 0 | 107.8 | Q746 | P744-Q746 PolarHBondContact O-N 3.16Š| ||
| 745 | R | 25 | Very low | 36.1 | Very low | 244 Ų | 244 | 121.7 Ų | 121.7 | 92% | 0.921 | 67% | 0.666 | S | S | * | * | trans | -56.2 | 96.3 | 171.1 | -73.7 | 176.8 | 177.2 | 164.2 | -2.5 | 109.1 | Y743 | Y743-R745 PolarHBondContact O-N 3.36Š| ||
| 746 | Q | 29.1 | Very low | 35.2 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | trans | -103.2 | 119.8 | 160.3 | -77.4 | -169.4 | -31.5 | 0 | 0 | 108 | P744 E748 | P744-Q746 PolarHBondContact O-N 3.16Å; Q746-E748 PolarHBondContact O-N 3.47Å | ||
| 747 | H | 26 | Very low | 34.9 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.875 | 69% | 0.692 | S | S | * | * | trans | -57 | 112.2 | 167.3 | -76.6 | -103.4 | 0 | 0 | 0 | 108.4 | ||||
| 748 | E | 28.6 | Very low | 34.8 | Very low | 185 Ų | 185 | 125.4 Ų | 125.4 | 86% | 0.864 | 69% | 0.687 | S | S | * | * | trans | -156.1 | 120.3 | 146.7 | -112.4 | 167.2 | -149.8 | 0 | 0 | 109.6 | Q746 Q750 | Q746-E748 PolarHBondContact O-N 3.47Å; E748-Q750 PolarHBondContact O-N 2.63Å | ||
| 749 | S | 30.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 68% | 0.679 | S | S | * | * | trans | -66.9 | 87.1 | 178.5 | 44.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 750 | Q | 28 | Very low | 36.7 | Very low | 172 Ų | 172 | 124.1 Ų | 124.1 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | trans | -139.1 | 100.1 | 152.3 | -70.7 | -170.2 | 3.2 | 0 | 0 | 108 | E748 S752 | E748-Q750 PolarHBondContact O-N 2.63Å; Q750-S752 PolarHBondContact O-N 3.22Å | ||
| 751 | S | 24.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 92% | 0.923 | 65% | 0.65 | S | S | * | * | trans | -64.9 | 65.7 | 161.4 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 752 | S | 27 | Very low | 39.7 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 59% | 0.594 | 63% | 0.626 | S | S | * | * | trans | -80.5 | 117.6 | 150.9 | 59.4 | 0 | 0 | 0 | 0 | 104.8 | Q750 M754 | Q750-S752 PolarHBondContact O-N 3.22Å; S752-M754 PolarHBondContact O-N 3.33Å | ||
| 753 | S | 27 | Very low | 41.4 | Very low | 107 Ų | 107 | 116 Ų | 116 | 75% | 0.748 | 60% | 0.6 | S | S | * | * | trans | -57.9 | 84 | 168.8 | 41.6 | 0 | 0 | 0 | 0 | 108 | T755 | S753-T755 PolarHBondContact O-N 2.86Š| ||
| 754 | M | 28.2 | Very low | 43.2 | Very low | 133 Ų | 133 | 113.2 Ų | 113.2 | 66% | 0.655 | 60% | 0.597 | S | S | * | * | trans | -64.5 | 95.4 | 170.3 | -142.9 | 162.3 | 80.3 | 0 | 0 | 104.7 | S752 N756 | S752-M754 PolarHBondContact O-N 3.33Å; M754-N756 PolarHBondContact O-N 2.81Å | ||
| 755 | T | 33.8 | Very low | 45 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 64% | 0.638 | 59% | 0.585 | S | S | * | * | trans | -64.9 | 90 | 177.2 | 45.8 | 0 | 0 | 0 | 0 | 105.9 | S753 N757 | S753-T755 PolarHBondContact O-N 2.86Å; T755-N757 PolarHBondContact O-N 2.72Å | ||
| 756 | N | 50.6 | Low | 46.9 | Very low | 81 Ų | 81 | 100.7 Ų | 100.7 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | trans | -64.1 | 83.5 | 173.2 | -80.9 | -14 | 0 | 0 | 0 | 107.3 | L737 M754 P758 | L737-N756 HydrophobicContact CD2-CB 4.2Å; M754-N756 PolarHBondContact O-N 2.81Å; N756-P758 WeakPolarHBondContact O-CD 3.39Å | ||
| 757 | N | 58.5 | Low | 49 | Very low | 75 Ų | 75 | 93.5 Ų | 93.5 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | trans | -64.1 | 121.5 | 176.7 | -78 | -35.2 | 0 | 0 | 0 | 107.8 | T755 R759 | T755-N757 PolarHBondContact O-N 2.72Å; N757-R759 PolarHBondContact O-N 3.14Å | ||
| 758 | P | 60.7 | Low | 51.2 | Low | 17 Ų | 17 | 89.7 Ų | 89.7 | 11% | 0.11 | 49% | 0.488 | C | S | . | . | trans | -62.8 | 125.9 | 175.4 | 24.7 | -32 | 0 | 0 | 0 | 109.5 | F718 I719 L736 L737 N756 | F718-P758 HydrophobicContact CB-CB 3.95Å; F718-P758 HydrophobicContact CB-CG 3.69Å; I719-P758 HydrophobicContact CG1-CG 4.25Å; L736-P758 HydrophobicContact CB-CB 3.62Å; L736-P758 HydrophobicContact CD1-CB 4.18Å; L736-P758 HydrophobicContact CG-CB 4.41Å; L736-P758 WeakPolarHBondContact O-CA 3.33Å; L737-P758 HydrophobicContact CD1-CB 4.43Å; N756-P758 WeakPolarHBondContact O-CD 3.39Å | ||
| 759 | R | 65.3 | Low | 53.4 | Low | 112 Ų | 112 | 88.2 Ų | 88.2 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | trans | -142.2 | 142.9 | -177.7 | -70.4 | -176.8 | 177 | -169.6 | -4.4 | 110.3 | L736 N757 | L736-R759 PolarHBondContact O-N 3.29Å; N757-R759 PolarHBondContact O-N 3.14Å | ||
| 760 | I | 68.9 | Low | 55.6 | Low | 41 Ų | 41 | 84.5 Ų | 84.5 | 21% | 0.21 | 45% | 0.448 | C | S | . | . | trans | -98.6 | 128.1 | 168.4 | -71.2 | 170.4 | 0 | 0 | 0 | 107.3 | E707 F710 N711 F718 L736 F762 | E707-I760 VanDerWaalsContact CD-O 3.32Å; E707-I760 VanDerWaalsContact CG-O 3.27Å; E707-I760 WeakPolarHBondContact CG-O 3.46Å; F710-I760 HydrophobicContact CE1-CD1 3.84Å; N711-I760 PolarHBondContact ND2-O 3.49Å; N711-I760 PolarHBondContact OD1-N 3.07Å; F718-I760 HydrophobicContact CE1-CD1 4.07Å; F718-I760 HydrophobicContact CZ-CD1 3.76Å; F718-I760 HydrophobicContact CZ-CG1 4.35Å; L736-I760 HydrophobicContact CD2-CD1 3.66Å; L736-I760 HydrophobicContact CD2-CG1 3.46Å; L736-I760 VanDerWaalsContact CD2-CG1 3.46Å; I760-F762 HydrophobicContact CG2-CD1 4.3Å; I760-F762 HydrophobicContact CG2-CE1 3.82Å; I760-F762 HydrophobicContact CG2-CZ 4.04Å | ||
| 761 | S | 67.7 | Low | 58 | Low | 72 Ų | 72 | 80 Ų | 80 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | trans | -101.4 | 124.9 | 176.8 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | E707 R763 | E707-S761 WeakPolarHBondContact OE2-CA 3.36Å; S761-R763 VanDerWaalsContact C-N 3.33Å | ||
| 762 | F | 66.6 | Low | 60.6 | Low | 58 Ų | 58 | 78.1 Ų | 78.1 | 25% | 0.254 | 41% | 0.408 | S | S | . | . | trans | -92.4 | 2.2 | 174.3 | -64.5 | -52.3 | 0 | 0 | 0 | 112.5 | C703 L706 E707 F710 I760 L764 L765 | C703-F762 HydrophobicContact CB-CB 3.87Å; C703-F762 PolarHBondContact SG-O 3.46Å; C703-F762 VanDerWaalsContact SG-O 3.41Å; L706-F762 HydrophobicContact CB-CD2 4.22Å; L706-F762 HydrophobicContact CB-CE2 4.39Å; E707-F762 HydrophobicContact CB-CD2 3.94Å; E707-F762 PolarHBondContact OE2-N 3.09Å; F710-F762 HydrophobicContact CB-CE2 4.32Å; F710-F762 HydrophobicContact CD1-CE2 4.43Å; F710-F762 HydrophobicContact CD1-CZ 4.26Å; F710-F762 HydrophobicContact CG-CE2 4.48Å; I760-F762 HydrophobicContact CG2-CD1 4.3Å; I760-F762 HydrophobicContact CG2-CE1 3.82Å; I760-F762 HydrophobicContact CG2-CZ 4.04Å; F762-L764 PolarHBondContact O-N 3.45Å; F762-L764 VanDerWaalsContact O-N 3.08Å; F762-L765 PolarHBondContact O-N 3.34Å | ||
| 763 | R | 66.6 | Low | 63.1 | Low | 41 Ų | 41 | 83.1 Ų | 83.1 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -52.4 | -32.8 | -179.2 | -170.6 | 174.7 | -171.5 | 120.6 | 12.8 | 113.8 | A687 M690 E695 L700 S761 L765 A766 | A687-R763 PolarHBondContact O-NH1 2.92Å; M690-R763 PolarHBondContact O-NH2 3.02Å; M690-R763 VanDerWaalsContact O-NH2 3.1Å; E695-R763 IonicContact OE1-CZ 2.9Å; E695-R763 IonicContact OE1-NE 2.75Å; E695-R763 PolarHBondContact OE1-NE 3.22Å; E695-R763 IonicContact OE1-NH2 2.74Å; E695-R763 PolarHBondContact OE1-NH2 3.14Å; E695-R763 IonicContact OE2-CZ 3.8Å; E695-R763 IonicContact OE2-NE 3.89Å; E695-R763 IonicContact OE2-NH2 2.71Å; E695-R763 PolarHBondContact OE2-NH2 3.01Å; L700-R763 HydrophobicContact CD1-CG 3.92Å; S761-R763 VanDerWaalsContact C-N 3.33Å; R763-L765 PolarHBondContact O-N 3.39Å; R763-A766 WeakPolarHBondContact O-CB 3.36Å; R763-A766 PolarHBondContact O-N 2.92Å |
| 764 | L | 65.5 | Low | 65.6 | Low | 116 Ų | 116 | 81 Ų | 81 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -56.2 | -33.4 | 177.9 | -71.5 | 170.9 | 0 | 0 | 0 | 113 | F762 A766 V770 | F762-L764 PolarHBondContact O-N 3.45Å; F762-L764 VanDerWaalsContact O-N 3.08Å; L764-A766 VanDerWaalsContact C-N 3.29Å; L764-A766 PolarHBondContact O-N 3.41Å; L764-V770 VanDerWaalsContact O-CB 3.28Å; L764-V770 WeakPolarHBondContact O-CB 3.39Å; L764-V770 WeakPolarHBondContact O-CG1 3.44Å |
| 765 | L | 66.5 | Low | 68.1 | Low | 89 Ų | 89 | 79.2 Ų | 79.2 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -72.9 | -21.3 | 179 | -85.9 | 74.8 | 0 | 0 | 0 | 113.1 | F762 R763 N767 | F762-L765 PolarHBondContact O-N 3.34Å; R763-L765 PolarHBondContact O-N 3.39Å; L765-N767 VanDerWaalsContact C-N 3.3Å |
| 766 | A | 65.5 | Low | 70.5 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 2% | 0.017 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -79.7 | -12.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E695 N696 I699 L700 R763 L764 | E695-A766 VanDerWaalsContact CA-O 3.3Å; E695-A766 WeakPolarHBondContact CA-O 3.42Å; N696-A766 PolarHBondContact N-O 3.29Å; I699-A766 HydrophobicContact CB-CB 4.33Å; I699-A766 HydrophobicContact CG2-CB 4.03Å; L700-A766 HydrophobicContact CB-CB 3.93Å; L700-A766 HydrophobicContact CD1-CB 3.75Å; L700-A766 HydrophobicContact CG-CB 4.47Å; R763-A766 WeakPolarHBondContact O-CB 3.36Å; R763-A766 PolarHBondContact O-N 2.92Å; L764-A766 VanDerWaalsContact C-N 3.29Å; L764-A766 PolarHBondContact O-N 3.41Å |
| 767 | N | 72.2 | Confident | 72 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 17% | 0.171 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -79.6 | 123.7 | -178.6 | -176.3 | -26.2 | 0 | 0 | 0 | 111.1 | L765 Y769 V770 L771 | L765-N767 VanDerWaalsContact C-N 3.3Å; N767-Y769 PolarHBondContact O-N 2.82Å; N767-Y769 WeakPolarHBondContact OD1-CB 3.28Å; N767-Y769 WeakPolarHBondContact OD1-CD2 3.39Å; N767-Y769 PolarHBondContact OD1-N 3.06Å; N767-V770 HydrophobicContact CB-CB 4.14Å; N767-V770 HydrophobicContact CB-CG2 3.87Å; N767-V770 PolarHBondContact O-N 2.9Å; N767-V770 VanDerWaalsContact O-N 3.07Å; N767-L771 PolarHBondContact O-N 3.12Å |
| 768 | Y | 72.9 | Confident | 73 | Confident | 109 Ų | 109 | 79.7 Ų | 79.7 | 43% | 0.427 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.2 | -38.4 | 178.9 | -67.6 | -66.8 | 0 | 0 | 0 | 112.6 | Y694 N696 L771 L772 | Y694-Y768 WeakPolarHBondContact O-CD2 3.15Å; Y694-Y768 PolarHBondContact O-N 3.05Å; N696-Y768 WeakPolarHBondContact CA-OH 3.09Å; N696-Y768 HydrophobicContact CB-CE1 3.77Å; Y768-L771 PolarHBondContact O-N 2.68Å; Y768-L772 WeakPolarHBondContact O-CB 3.47Å; Y768-L772 PolarHBondContact O-N 3.11Å |
| 769 | Y | 74.8 | Confident | 74 | Confident | 155 Ų | 155 | 82.4 Ų | 82.4 | 61% | 0.608 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.8 | -38 | 179.4 | -64.4 | -74 | 0 | 0 | 0 | 112.4 | Y694 N767 R773 | Y694-Y769 HydrophobicContact CG-CE2 4.47Å; N767-Y769 PolarHBondContact O-N 2.82Å; N767-Y769 WeakPolarHBondContact OD1-CB 3.28Å; N767-Y769 WeakPolarHBondContact OD1-CD2 3.39Å; N767-Y769 PolarHBondContact OD1-N 3.06Å; Y769-R773 WeakPolarHBondContact O-CB 3.41Å; Y769-R773 VanDerWaalsContact O-CG 3.25Å; Y769-R773 WeakPolarHBondContact O-CG 3.44Å; Y769-R773 PolarHBondContact O-N 3.4Å |
| 770 | V | 77.7 | Confident | 74.8 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 25% | 0.248 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71 | -44.3 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | L764 N767 L772 R773 L774 | L764-V770 VanDerWaalsContact O-CB 3.28Å; L764-V770 WeakPolarHBondContact O-CB 3.39Å; L764-V770 WeakPolarHBondContact O-CG1 3.44Å; N767-V770 HydrophobicContact CB-CB 4.14Å; N767-V770 HydrophobicContact CB-CG2 3.87Å; N767-V770 PolarHBondContact O-N 2.9Å; N767-V770 VanDerWaalsContact O-N 3.07Å; V770-L772 VanDerWaalsContact C-N 3.32Å; V770-L772 PolarHBondContact O-N 2.98Å; V770-R773 PolarHBondContact O-N 2.82Å; V770-L774 HydrophobicContact CG1-CD1 4.08Å; V770-L774 HydrophobicContact CG1-CG 4.35Å; V770-L774 WeakPolarHBondContact O-CB 3.43Å; V770-L774 WeakPolarHBondContact O-CG 3.43Å; V770-L774 PolarHBondContact O-N 3.37Å |
| 771 | L | 76.5 | Confident | 75.2 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 40% | 0.403 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 176.5 | -165.2 | 75.3 | 0 | 0 | 0 | 111.4 | I699 N767 Y768 L774 L775 | I699-L771 HydrophobicContact CD1-CD2 4.15Å; N767-L771 PolarHBondContact O-N 3.12Å; Y768-L771 PolarHBondContact O-N 2.68Å; L771-L774 PolarHBondContact O-N 3.27Å; L771-L775 WeakPolarHBondContact O-CB 3.49Å; L771-L775 PolarHBondContact O-N 3.4Å |
| 772 | L | 79.5 | Confident | 75.9 | Confident | 94 Ų | 94 | 83.8 Ų | 83.8 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.9 | -166.7 | 99.3 | 0 | 0 | 0 | 111.5 | Y768 V770 L775 F776 | Y768-L772 WeakPolarHBondContact O-CB 3.47Å; Y768-L772 PolarHBondContact O-N 3.11Å; V770-L772 VanDerWaalsContact C-N 3.32Å; V770-L772 PolarHBondContact O-N 2.98Å; L772-L775 PolarHBondContact O-N 2.99Å; L772-F776 HydrophobicContact CD1-CE2 4.34Å; L772-F776 HydrophobicContact CD2-CD2 4.09Å; L772-F776 HydrophobicContact CD2-CE2 3.67Å; L772-F776 HydrophobicContact CG-CD2 3.93Å; L772-F776 HydrophobicContact CG-CE2 3.71Å; L772-F776 WeakPolarHBondContact O-CD2 3.4Å; L772-F776 PolarHBondContact O-N 3.41Å |
| 773 | R | 79.9 | Confident | 76.5 | Confident | 190 Ų | 190 | 88.9 Ų | 88.9 | 72% | 0.717 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 175.7 | -76.4 | 175.7 | -177.5 | -167.6 | 2 | 112.3 | Y769 V770 L775 F776 L777 | Y769-R773 WeakPolarHBondContact O-CB 3.41Å; Y769-R773 VanDerWaalsContact O-CG 3.25Å; Y769-R773 WeakPolarHBondContact O-CG 3.44Å; Y769-R773 PolarHBondContact O-N 3.4Å; V770-R773 PolarHBondContact O-N 2.82Å; R773-L775 VanDerWaalsContact C-N 3.29Å; R773-L775 PolarHBondContact O-N 2.92Å; R773-F776 PolarHBondContact O-N 2.84Å; R773-L777 WeakPolarHBondContact O-CB 3.36Å; R773-L777 PolarHBondContact O-N 3.11Å |
| 774 | L | 79.9 | Confident | 77.1 | Confident | 61 Ų | 61 | 91.9 Ų | 91.9 | 32% | 0.319 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.6 | -74.1 | 174 | 0 | 0 | 0 | 111.6 | V770 L771 Y778 Y793 L797 | V770-L774 HydrophobicContact CG1-CD1 4.08Å; V770-L774 HydrophobicContact CG1-CG 4.35Å; V770-L774 WeakPolarHBondContact O-CB 3.43Å; V770-L774 WeakPolarHBondContact O-CG 3.43Å; V770-L774 PolarHBondContact O-N 3.37Å; L771-L774 PolarHBondContact O-N 3.27Å; L774-Y778 WeakPolarHBondContact O-CB 3.43Å; L774-Y778 PolarHBondContact O-N 3.08Å; L774-Y793 PolarHBondContact O-OH 3.5Å; L774-L797 HydrophobicContact CD2-CD1 3.72Å |
| 775 | L | 81.1 | Confident | 77.8 | Confident | 96 Ų | 96 | 93.9 Ų | 93.9 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 174.8 | -177.8 | 143.8 | 0 | 0 | 0 | 111.6 | L771 L772 R773 L777 Y778 I779 | L771-L775 WeakPolarHBondContact O-CB 3.49Å; L771-L775 PolarHBondContact O-N 3.4Å; L772-L775 PolarHBondContact O-N 2.99Å; R773-L775 VanDerWaalsContact C-N 3.29Å; R773-L775 PolarHBondContact O-N 2.92Å; L775-L777 VanDerWaalsContact C-N 3.33Å; L775-L777 PolarHBondContact O-N 3.4Å; L775-Y778 WeakPolarHBondContact O-CB 3.44Å; L775-Y778 PolarHBondContact O-N 2.99Å; L775-I779 HydrophobicContact CD2-CD1 3.63Å; L775-I779 HydrophobicContact CG-CD1 4.43Å; L775-I779 WeakPolarHBondContact O-CG1 3.35Å; L775-I779 PolarHBondContact O-N 2.92Å |
| 776 | F | 84 | Confident | 78.4 | Confident | 126 Ų | 126 | 92 Ų | 92 | 55% | 0.553 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 174 | -85.1 | -65.7 | 0 | 0 | 0 | 112.3 | L772 R773 Y778 I779 F780 | L772-F776 HydrophobicContact CD1-CE2 4.34Å; L772-F776 HydrophobicContact CD2-CD2 4.09Å; L772-F776 HydrophobicContact CD2-CE2 3.67Å; L772-F776 HydrophobicContact CG-CD2 3.93Å; L772-F776 HydrophobicContact CG-CE2 3.71Å; L772-F776 WeakPolarHBondContact O-CD2 3.4Å; L772-F776 PolarHBondContact O-N 3.41Å; R773-F776 PolarHBondContact O-N 2.84Å; F776-Y778 VanDerWaalsContact C-N 3.33Å; F776-I779 PolarHBondContact O-N 3.49Å; F776-F780 WeakPolarHBondContact O-CB 3.32Å; F776-F780 PolarHBondContact O-N 3.17Å |
| 777 | L | 81.4 | Confident | 79 | Confident | 85 Ų | 85 | 93.7 Ų | 93.7 | 45% | 0.445 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.6 | -31.2 | 177.6 | -166.2 | 112.5 | 0 | 0 | 0 | 111.8 | R773 L775 F780 S781 Y793 L797 | R773-L777 WeakPolarHBondContact O-CB 3.36Å; R773-L777 PolarHBondContact O-N 3.11Å; L775-L777 VanDerWaalsContact C-N 3.33Å; L775-L777 PolarHBondContact O-N 3.4Å; L777-F780 PolarHBondContact O-N 3.09Å; L777-S781 WeakPolarHBondContact O-CB 3.39Å; L777-S781 PolarHBondContact O-N 3.07Å; L777-S781 PolarHBondContact O-OG 2.77Å; L777-Y793 VanDerWaalsContact C-OH 3.22Å; L777-Y793 WeakPolarHBondContact CB-OH 3.38Å; L777-Y793 HydrophobicContact CD2-CE2 3.91Å; L777-Y793 WeakPolarHBondContact CD2-OH 3.22Å; L777-L797 HydrophobicContact CD2-CD2 3.62Å |
| 778 | Y | 80.3 | Confident | 79.1 | Confident | 60 Ų | 60 | 96.1 Ų | 96.1 | 24% | 0.235 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65 | -50.4 | 172 | 174.5 | -117.2 | 0 | 0 | 0 | 110.8 | L774 L775 F776 F780 S781 Y782 S788 P790 Y793 | L774-Y778 WeakPolarHBondContact O-CB 3.43Å; L774-Y778 PolarHBondContact O-N 3.08Å; L775-Y778 WeakPolarHBondContact O-CB 3.44Å; L775-Y778 PolarHBondContact O-N 2.99Å; F776-Y778 VanDerWaalsContact C-N 3.33Å; Y778-F780 VanDerWaalsContact C-N 3.28Å; Y778-F780 PolarHBondContact O-N 2.91Å; Y778-S781 PolarHBondContact O-N 3.11Å; Y778-S781 VanDerWaalsContact O-N 3.13Å; Y778-S781 PolarHBondContact O-OG 3.23Å; Y778-Y782 WeakPolarHBondContact O-CB 3.32Å; Y778-Y782 PolarHBondContact O-N 3.5Å; Y778-S788 PolarHBondContact OH-O 2.84Å; Y778-P790 HydrophobicContact CE2-CB 4.22Å; Y778-Y793 VanDerWaalsContact CA-CZ 3.48Å; Y778-Y793 AromaticContact CD2-CD1 3.66Å; Y778-Y793 HydrophobicContact CD2-CD1 3.66Å; Y778-Y793 AromaticContact CD2-CD2 3.93Å; Y778-Y793 HydrophobicContact CD2-CD2 3.93Å; Y778-Y793 HydrophobicContact CD2-CE1 4.18Å; Y778-Y793 HydrophobicContact CD2-CE2 4.43Å; Y778-Y793 AromaticContact CD2-CG 3.49Å; Y778-Y793 HydrophobicContact CD2-CG 3.49Å; Y778-Y793 VanDerWaalsContact CD2-CG 3.49Å; Y778-Y793 HydrophobicContact CE2-CG 4.26Å; Y778-Y793 HydrophobicContact CG-CD1 4.2Å; Y778-Y793 HydrophobicContact CG-CE1 4.32Å; Y778-Y793 HydrophobicContact CG-CG 4.39Å; Y778-Y793 PolarHBondContact N-OH 3.32Å |
| 779 | I | 82 | Confident | 79.4 | Confident | 74 Ų | 74 | 93 Ų | 93 | 38% | 0.379 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -55.4 | -46.6 | 175.5 | -66.7 | 168.2 | 0 | 0 | 0 | 110 | L775 F776 S781 Y782 F783 | L775-I779 HydrophobicContact CD2-CD1 3.63Å; L775-I779 HydrophobicContact CG-CD1 4.43Å; L775-I779 WeakPolarHBondContact O-CG1 3.35Å; L775-I779 PolarHBondContact O-N 2.92Å; F776-I779 PolarHBondContact O-N 3.49Å; I779-S781 PolarHBondContact O-N 2.95Å; I779-Y782 WeakPolarHBondContact O-CB 3.43Å; I779-Y782 PolarHBondContact O-N 2.95Å; I779-F783 HydrophobicContact CG2-CD2 3.86Å; I779-F783 HydrophobicContact CG2-CE2 3.79Å; I779-F783 VanDerWaalsContact O-CD2 3.23Å; I779-F783 WeakPolarHBondContact O-CD2 3.28Å; I779-F783 PolarHBondContact O-N 3.39Å; I779-F783 VanDerWaalsContact O-N 3.09Å |
| 780 | F | 82.1 | Confident | 79.4 | Confident | 128 Ų | 128 | 89.3 Ų | 89.3 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 177.9 | -172 | -106.1 | 0 | 0 | 0 | 112.9 | F776 L777 Y778 Y782 F783 L784 | F776-F780 WeakPolarHBondContact O-CB 3.32Å; F776-F780 PolarHBondContact O-N 3.17Å; L777-F780 PolarHBondContact O-N 3.09Å; Y778-F780 VanDerWaalsContact C-N 3.28Å; Y778-F780 PolarHBondContact O-N 2.91Å; F780-Y782 VanDerWaalsContact C-N 3.35Å; F780-F783 PolarHBondContact O-N 3.1Å; F780-L784 HydrophobicContact CD1-CD1 3.86Å; F780-L784 HydrophobicContact CE1-CD1 3.21Å; F780-L784 HydrophobicContact CE1-CG 4.23Å; F780-L784 HydrophobicContact CE2-CD1 4.1Å; F780-L784 HydrophobicContact CE2-CG 4.48Å; F780-L784 HydrophobicContact CZ-CD1 3.36Å; F780-L784 HydrophobicContact CZ-CG 4.19Å; F780-L784 PolarHBondContact O-N 2.67Å |
| 781 | S | 77.7 | Confident | 79.3 | Confident | 11 Ų | 11 | 93.8 Ų | 93.8 | 8% | 0.077 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68.2 | -32.9 | 177.5 | 74.4 | 0 | 0 | 0 | 0 | 113.2 | L777 Y778 I779 F785 Y793 | L777-S781 WeakPolarHBondContact O-CB 3.39Å; L777-S781 PolarHBondContact O-N 3.07Å; L777-S781 PolarHBondContact O-OG 2.77Å; Y778-S781 PolarHBondContact O-N 3.11Å; Y778-S781 VanDerWaalsContact O-N 3.13Å; Y778-S781 PolarHBondContact O-OG 3.23Å; I779-S781 PolarHBondContact O-N 2.95Å; S781-F785 WeakPolarHBondContact O-CB 3.47Å; S781-F785 PolarHBondContact O-N 2.79Å; S781-Y793 WeakPolarHBondContact OG-CD2 3.49Å; S781-Y793 WeakPolarHBondContact OG-CE2 3.2Å |
| 782 | Y | 80.5 | Confident | 79.3 | Confident | 115 Ų | 115 | 95 Ų | 95 | 45% | 0.451 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.6 | 175.8 | -96.7 | 0 | 0 | 0 | 110.3 | Y778 I779 F780 G786 | Y778-Y782 WeakPolarHBondContact O-CB 3.32Å; Y778-Y782 PolarHBondContact O-N 3.5Å; I779-Y782 WeakPolarHBondContact O-CB 3.43Å; I779-Y782 PolarHBondContact O-N 2.95Å; F780-Y782 VanDerWaalsContact C-N 3.35Å; Y782-G786 WeakPolarHBondContact O-CA 3.47Å; Y782-G786 PolarHBondContact O-N 3.45Å; Y782-G786 VanDerWaalsContact O-N 3.11Å |
| 783 | F | 80.3 | Confident | 79.2 | Confident | 164 Ų | 164 | 91.4 Ų | 91.4 | 72% | 0.719 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 177.9 | -86.2 | -71.7 | 0 | 0 | 0 | 114 | I779 F780 | I779-F783 HydrophobicContact CG2-CD2 3.86Å; I779-F783 HydrophobicContact CG2-CE2 3.79Å; I779-F783 VanDerWaalsContact O-CD2 3.23Å; I779-F783 WeakPolarHBondContact O-CD2 3.28Å; I779-F783 PolarHBondContact O-N 3.39Å; I779-F783 VanDerWaalsContact O-N 3.09Å; F780-F783 PolarHBondContact O-N 3.1Å |
| 784 | L | 78.7 | Confident | 79.1 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -87.4 | -40.3 | -176.5 | -73.2 | -176.6 | 0 | 0 | 0 | 114.7 | F780 | F780-L784 HydrophobicContact CD1-CD1 3.86Å; F780-L784 HydrophobicContact CE1-CD1 3.21Å; F780-L784 HydrophobicContact CE1-CG 4.23Å; F780-L784 HydrophobicContact CE2-CD1 4.1Å; F780-L784 HydrophobicContact CE2-CG 4.48Å; F780-L784 HydrophobicContact CZ-CD1 3.36Å; F780-L784 HydrophobicContact CZ-CG 4.19Å; F780-L784 PolarHBondContact O-N 2.67Å |
| 785 | F | 80.2 | Confident | 78.9 | Confident | 158 Ų | 158 | 86.6 Ų | 86.6 | 69% | 0.693 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -115.1 | -3.9 | -169.4 | -60.6 | -77.4 | 0 | 0 | 0 | 113.5 | S781 I787 | S781-F785 WeakPolarHBondContact O-CB 3.47Å; S781-F785 PolarHBondContact O-N 2.79Å; F785-I787 HydrophobicContact CB-CD1 4.07Å; F785-I787 HydrophobicContact CB-CG1 3.97Å; F785-I787 PolarHBondContact O-N 2.7Å |
| 786 | G | 78.7 | Confident | 78.8 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 53% | 0.526 | 44% | 0.444 | S | S | . | . | trans | 68.7 | 18.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y782 S788 | Y782-G786 WeakPolarHBondContact O-CA 3.47Å; Y782-G786 PolarHBondContact O-N 3.45Å; Y782-G786 VanDerWaalsContact O-N 3.11Å; G786-S788 PolarHBondContact O-N 2.78Å; G786-S788 PolarHBondContact O-OG 3.3Å | ||
| 787 | I | 78.2 | Confident | 78.6 | Confident | 37 Ų | 37 | 80.7 Ų | 80.7 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | trans | -71 | 92 | -179.8 | -57.4 | 171.5 | 0 | 0 | 0 | 109 | F785 L792 | F785-I787 HydrophobicContact CB-CD1 4.07Å; F785-I787 HydrophobicContact CB-CG1 3.97Å; F785-I787 PolarHBondContact O-N 2.7Å; I787-L792 HydrophobicContact CG2-CB 3.87Å | ||
| 788 | S | 75.1 | Confident | 78.3 | Confident | 82 Ų | 82 | 81 Ų | 81 | 57% | 0.573 | 43% | 0.431 | S | S | * | . | trans | -75.7 | -28 | -178.7 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | Y778 G786 | Y778-S788 PolarHBondContact OH-O 2.84Å; G786-S788 PolarHBondContact O-N 2.78Å; G786-S788 PolarHBondContact O-OG 3.3Å | ||
| 789 | S | 79.4 | Confident | 78.2 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | trans | -88.2 | 121.8 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | L791 L792 Y793 | S789-L791 PolarHBondContact O-N 3.48Å; S789-L791 PolarHBondContact OG-N 3.07Å; S789-L792 PolarHBondContact O-N 3.02Å; S789-Y793 PolarHBondContact O-N 2.81Å | ||
| 790 | P | 75.3 | Confident | 78.1 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 50% | 0.5 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -26.9 | 175.5 | 24.3 | -32.1 | 0 | 0 | 0 | 112.7 | Y778 Y793 V794 | Y778-P790 HydrophobicContact CE2-CB 4.22Å; P790-Y793 WeakPolarHBondContact O-CB 3.43Å; P790-Y793 PolarHBondContact O-N 3.09Å; P790-V794 WeakPolarHBondContact O-CG2 3.32Å; P790-V794 PolarHBondContact O-N 3.13Å |
| 791 | L | 74.2 | Confident | 77.9 | Confident | 134 Ų | 134 | 84 Ų | 84 | 70% | 0.702 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.1 | -44.1 | 175.1 | -70.8 | 174.6 | 0 | 0 | 0 | 111.8 | S789 Y793 V794 V795 | S789-L791 PolarHBondContact O-N 3.48Å; S789-L791 PolarHBondContact OG-N 3.07Å; L791-Y793 VanDerWaalsContact C-N 3.26Å; L791-Y793 PolarHBondContact O-N 3.11Å; L791-V794 PolarHBondContact O-N 2.95Å; L791-V795 WeakPolarHBondContact O-CG2 3.38Å; L791-V795 PolarHBondContact O-N 3.01Å |
| 792 | L | 76.2 | Confident | 77.8 | Confident | 104 Ų | 104 | 87 Ų | 87 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.3 | -80.2 | 173.1 | 0 | 0 | 0 | 110.8 | I787 S789 V795 C796 | I787-L792 HydrophobicContact CG2-CB 3.87Å; S789-L792 PolarHBondContact O-N 3.02Å; L792-V795 PolarHBondContact O-N 3.33Å; L792-C796 WeakPolarHBondContact O-CB 3.44Å; L792-C796 PolarHBondContact O-N 3.38Å; L792-C796 PolarHBondContact O-SG 3Å |
| 793 | Y | 78.5 | Confident | 77.7 | Confident | 17 Ų | 17 | 87.9 Ų | 87.9 | 7% | 0.067 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 176.2 | 171 | -103.9 | 0 | 0 | 0 | 113 | L774 L777 Y778 S781 S789 P790 L791 V795 C796 L797 | L774-Y793 PolarHBondContact O-OH 3.5Å; L777-Y793 VanDerWaalsContact C-OH 3.22Å; L777-Y793 WeakPolarHBondContact CB-OH 3.38Å; L777-Y793 HydrophobicContact CD2-CE2 3.91Å; L777-Y793 WeakPolarHBondContact CD2-OH 3.22Å; Y778-Y793 VanDerWaalsContact CA-CZ 3.48Å; Y778-Y793 AromaticContact CD2-CD1 3.66Å; Y778-Y793 HydrophobicContact CD2-CD1 3.66Å; Y778-Y793 AromaticContact CD2-CD2 3.93Å; Y778-Y793 HydrophobicContact CD2-CD2 3.93Å; Y778-Y793 HydrophobicContact CD2-CE1 4.18Å; Y778-Y793 HydrophobicContact CD2-CE2 4.43Å; Y778-Y793 AromaticContact CD2-CG 3.49Å; Y778-Y793 HydrophobicContact CD2-CG 3.49Å; Y778-Y793 VanDerWaalsContact CD2-CG 3.49Å; Y778-Y793 HydrophobicContact CE2-CG 4.26Å; Y778-Y793 HydrophobicContact CG-CD1 4.2Å; Y778-Y793 HydrophobicContact CG-CE1 4.32Å; Y778-Y793 HydrophobicContact CG-CG 4.39Å; Y778-Y793 PolarHBondContact N-OH 3.32Å; S781-Y793 WeakPolarHBondContact OG-CD2 3.49Å; S781-Y793 WeakPolarHBondContact OG-CE2 3.2Å; S789-Y793 PolarHBondContact O-N 2.81Å; P790-Y793 WeakPolarHBondContact O-CB 3.43Å; P790-Y793 PolarHBondContact O-N 3.09Å; L791-Y793 VanDerWaalsContact C-N 3.26Å; L791-Y793 PolarHBondContact O-N 3.11Å; Y793-V795 PolarHBondContact O-N 3.47Å; Y793-C796 PolarHBondContact O-N 3.44Å; Y793-L797 HydrophobicContact CD1-CD1 4.11Å; Y793-L797 HydrophobicContact CE1-CD1 3.45Å; Y793-L797 VanDerWaalsContact CE1-CD1 3.45Å; Y793-L797 HydrophobicContact CE1-CG 4.25Å; Y793-L797 HydrophobicContact CE2-CD1 4.17Å; Y793-L797 HydrophobicContact CE2-CG 4.18Å; Y793-L797 VanDerWaalsContact CZ-CD1 3.49Å; Y793-L797 PolarHBondContact O-N 2.9Å |
| 794 | V | 76.8 | Confident | 77.7 | Confident | 74 Ų | 74 | 86.8 Ų | 86.8 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | P790 L791 L797 I798 | P790-V794 WeakPolarHBondContact O-CG2 3.32Å; P790-V794 PolarHBondContact O-N 3.13Å; L791-V794 PolarHBondContact O-N 2.95Å; V794-L797 PolarHBondContact O-N 3.12Å; V794-I798 HydrophobicContact CG1-CD1 4.03Å; V794-I798 WeakPolarHBondContact O-CG1 3.5Å; V794-I798 PolarHBondContact O-N 2.79Å |
| 795 | V | 76.4 | Confident | 77.4 | Confident | 77 Ų | 77 | 82.8 Ų | 82.8 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L791 L792 Y793 L797 I798 I799 | L791-V795 WeakPolarHBondContact O-CG2 3.38Å; L791-V795 PolarHBondContact O-N 3.01Å; L792-V795 PolarHBondContact O-N 3.33Å; Y793-V795 PolarHBondContact O-N 3.47Å; V795-L797 PolarHBondContact O-N 2.98Å; V795-I798 PolarHBondContact O-N 3.35Å; V795-I799 HydrophobicContact CG1-CD1 3.89Å; V795-I799 WeakPolarHBondContact O-CG1 3.45Å; V795-I799 PolarHBondContact O-N 3.47Å |
| 796 | C | 78.5 | Confident | 77.2 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 32% | 0.324 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.8 | -71.7 | 0 | 0 | 0 | 0 | 112 | L792 Y793 I798 I799 I800 | L792-C796 WeakPolarHBondContact O-CB 3.44Å; L792-C796 PolarHBondContact O-N 3.38Å; L792-C796 PolarHBondContact O-SG 3Å; Y793-C796 PolarHBondContact O-N 3.44Å; C796-I798 PolarHBondContact O-N 3.16Å; C796-I799 PolarHBondContact O-N 3.43Å; C796-I800 WeakPolarHBondContact O-CB 3.49Å; C796-I800 VanDerWaalsContact O-CG1 3.25Å; C796-I800 WeakPolarHBondContact O-CG1 3.17Å; C796-I800 PolarHBondContact O-N 3.21Å |
| 797 | L | 79.5 | Confident | 77.1 | Confident | 49 Ų | 49 | 79.9 Ų | 79.9 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.8 | -80.5 | -178.8 | 0 | 0 | 0 | 112.6 | L774 L777 Y793 V794 V795 I800 Y801 | L774-L797 HydrophobicContact CD2-CD1 3.72Å; L777-L797 HydrophobicContact CD2-CD2 3.62Å; Y793-L797 HydrophobicContact CD1-CD1 4.11Å; Y793-L797 HydrophobicContact CE1-CD1 3.45Å; Y793-L797 VanDerWaalsContact CE1-CD1 3.45Å; Y793-L797 HydrophobicContact CE1-CG 4.25Å; Y793-L797 HydrophobicContact CE2-CD1 4.17Å; Y793-L797 HydrophobicContact CE2-CG 4.18Å; Y793-L797 VanDerWaalsContact CZ-CD1 3.49Å; Y793-L797 PolarHBondContact O-N 2.9Å; V794-L797 PolarHBondContact O-N 3.12Å; V795-L797 PolarHBondContact O-N 2.98Å; L797-I800 PolarHBondContact O-N 3.06Å; L797-Y801 WeakPolarHBondContact O-CB 3.43Å; L797-Y801 PolarHBondContact O-N 3.03Å |
| 798 | I | 75.7 | Confident | 77.1 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 48% | 0.477 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 177 | -68.1 | 166.6 | 0 | 0 | 0 | 110.2 | V794 V795 C796 Y801 L802 | V794-I798 HydrophobicContact CG1-CD1 4.03Å; V794-I798 WeakPolarHBondContact O-CG1 3.5Å; V794-I798 PolarHBondContact O-N 2.79Å; V795-I798 PolarHBondContact O-N 3.35Å; C796-I798 PolarHBondContact O-N 3.16Å; I798-Y801 PolarHBondContact O-N 3.4Å; I798-L802 HydrophobicContact CG2-CD1 3.93Å; I798-L802 HydrophobicContact CG2-CG 4.37Å; I798-L802 WeakPolarHBondContact O-CB 3.32Å; I798-L802 VanDerWaalsContact O-CG 3.26Å; I798-L802 WeakPolarHBondContact O-CG 3.28Å; I798-L802 PolarHBondContact O-N 3.35Å |
| 799 | I | 78.6 | Confident | 77 | Confident | 103 Ų | 103 | 76.8 Ų | 76.8 | 53% | 0.528 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.2 | -67.3 | 167.7 | 0 | 0 | 0 | 111 | V795 C796 Y801 L802 F803 | V795-I799 HydrophobicContact CG1-CD1 3.89Å; V795-I799 WeakPolarHBondContact O-CG1 3.45Å; V795-I799 PolarHBondContact O-N 3.47Å; C796-I799 PolarHBondContact O-N 3.43Å; I799-Y801 PolarHBondContact O-N 3.49Å; I799-L802 PolarHBondContact O-N 3.45Å; I799-F803 WeakPolarHBondContact O-CB 3.32Å; I799-F803 PolarHBondContact O-N 3.1Å |
| 800 | I | 79.8 | Confident | 76.8 | Confident | 109 Ų | 109 | 78.4 Ų | 78.4 | 56% | 0.559 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 178 | -69.2 | 165.6 | 0 | 0 | 0 | 110.9 | C796 L797 F803 Y804 | C796-I800 WeakPolarHBondContact O-CB 3.49Å; C796-I800 VanDerWaalsContact O-CG1 3.25Å; C796-I800 WeakPolarHBondContact O-CG1 3.17Å; C796-I800 PolarHBondContact O-N 3.21Å; L797-I800 PolarHBondContact O-N 3.06Å; I800-F803 PolarHBondContact O-N 2.73Å; I800-Y804 WeakPolarHBondContact O-CB 3.42Å; I800-Y804 PolarHBondContact O-N 2.77Å |
| 801 | Y | 78.5 | Confident | 76.9 | Confident | 111 Ų | 111 | 79.6 Ų | 79.6 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 177.1 | 176.5 | -107.4 | 0 | 0 | 0 | 111.9 | L797 I798 I799 F803 Y804 E805 | L797-Y801 WeakPolarHBondContact O-CB 3.43Å; L797-Y801 PolarHBondContact O-N 3.03Å; I798-Y801 PolarHBondContact O-N 3.4Å; I799-Y801 PolarHBondContact O-N 3.49Å; Y801-F803 VanDerWaalsContact C-N 3.29Å; Y801-F803 PolarHBondContact O-N 3.4Å; Y801-Y804 WeakPolarHBondContact O-CB 3.49Å; Y801-Y804 PolarHBondContact O-N 2.97Å; Y801-E805 HydrophobicContact CD2-CG 4.45Å; Y801-E805 HydrophobicContact CE1-CG 4.06Å; Y801-E805 HydrophobicContact CE2-CG 3.85Å; Y801-E805 PolarHBondContact O-N 3.44Å; Y801-E805 PolarHBondContact OH-OE1 3.16Å |
| 802 | L | 75.3 | Confident | 76.7 | Confident | 75 Ų | 75 | 75 Ų | 75 | 39% | 0.393 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 176 | -69.3 | 173.2 | 0 | 0 | 0 | 111.8 | F731 I735 I798 I799 F806 | F731-L802 HydrophobicContact CE1-CD2 4.38Å; F731-L802 HydrophobicContact CZ-CD2 3.92Å; I735-L802 HydrophobicContact CD1-CD2 4.4Å; I798-L802 HydrophobicContact CG2-CD1 3.93Å; I798-L802 HydrophobicContact CG2-CG 4.37Å; I798-L802 WeakPolarHBondContact O-CB 3.32Å; I798-L802 VanDerWaalsContact O-CG 3.26Å; I798-L802 WeakPolarHBondContact O-CG 3.28Å; I798-L802 PolarHBondContact O-N 3.35Å; I799-L802 PolarHBondContact O-N 3.45Å; L802-F806 VanDerWaalsContact O-CB 3.31Å; L802-F806 WeakPolarHBondContact O-CB 3.34Å; L802-F806 PolarHBondContact O-N 2.79Å |
| 803 | F | 78 | Confident | 76.3 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 174.8 | -175.8 | -100.6 | 0 | 0 | 0 | 112.1 | I799 I800 Y801 F806 V807 | I799-F803 WeakPolarHBondContact O-CB 3.32Å; I799-F803 PolarHBondContact O-N 3.1Å; I800-F803 PolarHBondContact O-N 2.73Å; Y801-F803 VanDerWaalsContact C-N 3.29Å; Y801-F803 PolarHBondContact O-N 3.4Å; F803-F806 WeakPolarHBondContact O-CB 3.29Å; F803-F806 PolarHBondContact O-N 3.37Å; F803-V807 HydrophobicContact CD1-CG2 4.14Å; F803-V807 HydrophobicContact CE1-CG2 3.76Å; F803-V807 HydrophobicContact CE2-CG2 4.44Å; F803-V807 HydrophobicContact CZ-CG2 3.92Å; F803-V807 WeakPolarHBondContact O-CG2 3.28Å; F803-V807 PolarHBondContact O-N 3.19Å |
| 804 | Y | 79.4 | Confident | 76 | Confident | 140 Ų | 140 | 74.4 Ų | 74.4 | 55% | 0.549 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 176.1 | 174.3 | -101.9 | 0 | 0 | 0 | 112.2 | I800 Y801 F806 V807 I808 | I800-Y804 WeakPolarHBondContact O-CB 3.42Å; I800-Y804 PolarHBondContact O-N 2.77Å; Y801-Y804 WeakPolarHBondContact O-CB 3.49Å; Y801-Y804 PolarHBondContact O-N 2.97Å; Y804-F806 VanDerWaalsContact C-N 3.3Å; Y804-F806 PolarHBondContact O-N 3.03Å; Y804-V807 PolarHBondContact O-N 3.45Å; Y804-I808 HydrophobicContact CD1-CD1 3.91Å; Y804-I808 HydrophobicContact CE1-CD1 3.27Å; Y804-I808 HydrophobicContact CE1-CG1 4.36Å; Y804-I808 HydrophobicContact CE2-CD1 4Å; Y804-I808 HydrophobicContact CE2-CG1 4.47Å; Y804-I808 PolarHBondContact O-N 2.97Å |
| 805 | E | 72.8 | Confident | 75.6 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 9% | 0.093 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 175.2 | -72 | -65.9 | 165.4 | 0 | 0 | 111.8 | F731 Q734 I735 Y801 I808 T809 | F731-E805 HydrophobicContact CD2-CB 4.3Å; F731-E805 HydrophobicContact CE2-CB 3.57Å; F731-E805 HydrophobicContact CZ-CB 4.25Å; Q734-E805 VanDerWaalsContact CD-OE2 3.23Å; Q734-E805 WeakPolarHBondContact CG-OE2 3.48Å; Q734-E805 PolarHBondContact NE2-OE2 3.38Å; I735-E805 HydrophobicContact CD1-CB 4.4Å; I735-E805 HydrophobicContact CD1-CG 4.37Å; I735-E805 HydrophobicContact CG1-CG 4.22Å; Y801-E805 HydrophobicContact CD2-CG 4.45Å; Y801-E805 HydrophobicContact CE1-CG 4.06Å; Y801-E805 HydrophobicContact CE2-CG 3.85Å; Y801-E805 PolarHBondContact O-N 3.44Å; Y801-E805 PolarHBondContact OH-OE1 3.16Å; E805-I808 PolarHBondContact O-N 3.2Å; E805-T809 WeakPolarHBondContact O-CG2 3.37Å; E805-T809 PolarHBondContact O-N 3.37Å; E805-T809 PolarHBondContact O-OG1 2.83Å |
| 806 | F | 76 | Confident | 75.1 | Confident | 98 Ų | 98 | 77.6 Ų | 77.6 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 174.7 | -178.6 | -98.7 | 0 | 0 | 0 | 111.6 | F731 L802 F803 Y804 T809 L810 | F731-F806 HydrophobicContact CE2-CB 4.25Å; L802-F806 VanDerWaalsContact O-CB 3.31Å; L802-F806 WeakPolarHBondContact O-CB 3.34Å; L802-F806 PolarHBondContact O-N 2.79Å; F803-F806 WeakPolarHBondContact O-CB 3.29Å; F803-F806 PolarHBondContact O-N 3.37Å; Y804-F806 VanDerWaalsContact C-N 3.3Å; Y804-F806 PolarHBondContact O-N 3.03Å; F806-T809 VanDerWaalsContact CA-OG1 3.32Å; F806-T809 WeakPolarHBondContact CA-OG1 3.3Å; F806-T809 PolarHBondContact O-N 3.09Å; F806-T809 PolarHBondContact O-OG1 3.27Å; F806-L810 HydrophobicContact CE1-CD1 4.44Å; F806-L810 HydrophobicContact CZ-CD1 4.33Å; F806-L810 WeakPolarHBondContact O-CB 3.47Å; F806-L810 PolarHBondContact O-N 3.08Å |
| 807 | V | 77.6 | Confident | 74.6 | Confident | 51 Ų | 51 | 83 Ų | 83 | 31% | 0.309 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | F803 Y804 T809 L810 I811 | F803-V807 HydrophobicContact CD1-CG2 4.14Å; F803-V807 HydrophobicContact CE1-CG2 3.76Å; F803-V807 HydrophobicContact CE2-CG2 4.44Å; F803-V807 HydrophobicContact CZ-CG2 3.92Å; F803-V807 WeakPolarHBondContact O-CG2 3.28Å; F803-V807 PolarHBondContact O-N 3.19Å; Y804-V807 PolarHBondContact O-N 3.45Å; V807-T809 PolarHBondContact O-N 3.33Å; V807-L810 WeakPolarHBondContact O-CB 3.36Å; V807-L810 PolarHBondContact O-N 2.94Å; V807-I811 HydrophobicContact CG1-CD1 3.78Å; V807-I811 HydrophobicContact CG1-CG1 4.36Å; V807-I811 VanDerWaalsContact O-CG1 3.3Å; V807-I811 WeakPolarHBondContact O-CG1 3.39Å; V807-I811 PolarHBondContact O-N 3.46Å |
| 808 | I | 76.6 | Confident | 74 | Confident | 44 Ų | 44 | 85.7 Ų | 85.7 | 23% | 0.226 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.8 | -69.5 | 175.6 | 0 | 0 | 0 | 111.3 | Y804 E805 L810 I811 G812 | Y804-I808 HydrophobicContact CD1-CD1 3.91Å; Y804-I808 HydrophobicContact CE1-CD1 3.27Å; Y804-I808 HydrophobicContact CE1-CG1 4.36Å; Y804-I808 HydrophobicContact CE2-CD1 4Å; Y804-I808 HydrophobicContact CE2-CG1 4.47Å; Y804-I808 PolarHBondContact O-N 2.97Å; E805-I808 PolarHBondContact O-N 3.2Å; I808-L810 VanDerWaalsContact C-N 3.29Å; I808-L810 PolarHBondContact O-N 2.81Å; I808-I811 PolarHBondContact O-N 3.3Å; I808-G812 PolarHBondContact O-N 3.01Å |
| 809 | T | 74.3 | Confident | 73.4 | Confident | 9 Ų | 9 | 89.1 Ų | 89.1 | 6% | 0.055 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 177.5 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | F731 E805 F806 V807 G812 L813 | F731-T809 HydrophobicContact CB-CG2 4.27Å; F731-T809 HydrophobicContact CD2-CG2 4.15Å; E805-T809 WeakPolarHBondContact O-CG2 3.37Å; E805-T809 PolarHBondContact O-N 3.37Å; E805-T809 PolarHBondContact O-OG1 2.83Å; F806-T809 VanDerWaalsContact CA-OG1 3.32Å; F806-T809 WeakPolarHBondContact CA-OG1 3.3Å; F806-T809 PolarHBondContact O-N 3.09Å; F806-T809 PolarHBondContact O-OG1 3.27Å; V807-T809 PolarHBondContact O-N 3.33Å; T809-G812 PolarHBondContact O-N 3.39Å; T809-L813 WeakPolarHBondContact O-CG 3.44Å; T809-L813 PolarHBondContact O-N 3.08Å |
| 810 | L | 75.7 | Confident | 72.3 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 42% | 0.419 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 173.5 | -156.8 | 92.4 | 0 | 0 | 0 | 111.9 | F806 V807 I808 G812 L813 C814 | F806-L810 HydrophobicContact CE1-CD1 4.44Å; F806-L810 HydrophobicContact CZ-CD1 4.33Å; F806-L810 WeakPolarHBondContact O-CB 3.47Å; F806-L810 PolarHBondContact O-N 3.08Å; V807-L810 WeakPolarHBondContact O-CB 3.36Å; V807-L810 PolarHBondContact O-N 2.94Å; I808-L810 VanDerWaalsContact C-N 3.29Å; I808-L810 PolarHBondContact O-N 2.81Å; L810-G812 VanDerWaalsContact C-N 3.32Å; L810-G812 PolarHBondContact O-N 3.19Å; L810-L813 WeakPolarHBondContact O-CB 3.34Å; L810-L813 PolarHBondContact O-N 2.93Å; L810-C814 PolarHBondContact O-N 3.2Å; L810-C814 PolarHBondContact O-SG 2.99Å; L810-C814 VanDerWaalsContact O-SG 3.4Å |
| 811 | I | 76.3 | Confident | 70.9 | Confident | 102 Ų | 102 | 92.4 Ų | 92.4 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.9 | -69.5 | 167.7 | 0 | 0 | 0 | 110.5 | V807 I808 L813 C814 H815 | V807-I811 HydrophobicContact CG1-CD1 3.78Å; V807-I811 HydrophobicContact CG1-CG1 4.36Å; V807-I811 VanDerWaalsContact O-CG1 3.3Å; V807-I811 WeakPolarHBondContact O-CG1 3.39Å; V807-I811 PolarHBondContact O-N 3.46Å; I808-I811 PolarHBondContact O-N 3.3Å; I811-L813 VanDerWaalsContact C-N 3.34Å; I811-L813 PolarHBondContact O-N 3.37Å; I811-C814 PolarHBondContact O-N 3.19Å; I811-H815 WeakPolarHBondContact O-CB 3.17Å; I811-H815 PolarHBondContact O-N 3.31Å |
| 812 | G | 70.4 | Confident | 70.5 | Confident | 38 Ų | 38 | 91.5 Ų | 91.5 | 39% | 0.392 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I808 T809 L810 H815 E816 | I808-G812 PolarHBondContact O-N 3.01Å; T809-G812 PolarHBondContact O-N 3.39Å; L810-G812 VanDerWaalsContact C-N 3.32Å; L810-G812 PolarHBondContact O-N 3.19Å; G812-H815 PolarHBondContact O-N 3.42Å; G812-E816 WeakPolarHBondContact O-CB 3.16Å; G812-E816 PolarHBondContact O-N 3.4Å |
| 813 | L | 68.5 | Low | 70.2 | Confident | 35 Ų | 35 | 92.3 Ų | 92.3 | 18% | 0.183 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 173.6 | -78.1 | 159.4 | 0 | 0 | 0 | 112.4 | I727 T809 L810 I811 E816 K817 | I727-L813 HydrophobicContact CB-CD1 4.38Å; I727-L813 HydrophobicContact CD1-CD1 4.13Å; I727-L813 HydrophobicContact CG1-CD1 3.77Å; I727-L813 HydrophobicContact CG2-CD1 4.04Å; T809-L813 WeakPolarHBondContact O-CG 3.44Å; T809-L813 PolarHBondContact O-N 3.08Å; L810-L813 WeakPolarHBondContact O-CB 3.34Å; L810-L813 PolarHBondContact O-N 2.93Å; I811-L813 VanDerWaalsContact C-N 3.34Å; I811-L813 PolarHBondContact O-N 3.37Å; L813-E816 PolarHBondContact O-N 3.48Å; L813-K817 WeakPolarHBondContact O-CB 3.22Å; L813-K817 PolarHBondContact O-N 2.99Å |
| 814 | C | 70.4 | Confident | 69.8 | Low | 72 Ų | 72 | 90 Ų | 90 | 49% | 0.486 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.7 | -73 | 0 | 0 | 0 | 0 | 111.4 | L810 I811 E816 K817 V818 | L810-C814 PolarHBondContact O-N 3.2Å; L810-C814 PolarHBondContact O-SG 2.99Å; L810-C814 VanDerWaalsContact O-SG 3.4Å; I811-C814 PolarHBondContact O-N 3.19Å; C814-E816 VanDerWaalsContact C-N 3.3Å; C814-E816 PolarHBondContact O-N 2.88Å; C814-K817 PolarHBondContact O-N 3.24Å; C814-V818 VanDerWaalsContact O-CG2 3.29Å; C814-V818 WeakPolarHBondContact O-CG2 3.32Å; C814-V818 PolarHBondContact O-N 3.23Å |
| 815 | H | 69.5 | Low | 69.2 | Low | 136 Ų | 136 | 87.1 Ų | 87.1 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.3 | -32 | 180 | -161.2 | -62.2 | 0 | 0 | 0 | 112.4 | I811 G812 K819 | I811-H815 WeakPolarHBondContact O-CB 3.17Å; I811-H815 PolarHBondContact O-N 3.31Å; G812-H815 PolarHBondContact O-N 3.42Å; H815-K819 WeakPolarHBondContact O-CB 3.05Å; H815-K819 PolarHBondContact O-N 2.83Å |
| 816 | E | 64.9 | Low | 69 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.3 | -39 | 175 | -147.4 | -177.9 | -157.4 | 0 | 0 | 111.8 | R730 G812 L813 C814 K819 N820 | R730-E816 IonicContact CZ-OE2 2.65Å; R730-E816 IonicContact NH1-OE2 2.79Å; R730-E816 PolarHBondContact NH1-OE2 3.03Å; R730-E816 IonicContact NH2-OE1 3.61Å; R730-E816 IonicContact NH2-OE2 2.72Å; R730-E816 PolarHBondContact NH2-OE2 3.38Å; G812-E816 WeakPolarHBondContact O-CB 3.16Å; G812-E816 PolarHBondContact O-N 3.4Å; L813-E816 PolarHBondContact O-N 3.48Å; C814-E816 VanDerWaalsContact C-N 3.3Å; C814-E816 PolarHBondContact O-N 2.88Å; E816-K819 PolarHBondContact O-N 2.79Å; E816-N820 WeakPolarHBondContact O-CB 3.37Å; E816-N820 VanDerWaalsContact O-CG 3.31Å; E816-N820 PolarHBondContact O-N 2.86Å |
| 817 | K | 68.1 | Low | 68.6 | Low | 161 Ų | 161 | 90.8 Ų | 90.8 | 70% | 0.7 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 173 | -80.8 | -171 | 174.9 | -173.8 | 0 | 112.3 | L813 C814 K819 N820 S821 | L813-K817 WeakPolarHBondContact O-CB 3.22Å; L813-K817 PolarHBondContact O-N 2.99Å; C814-K817 PolarHBondContact O-N 3.24Å; K817-K819 VanDerWaalsContact C-N 3.26Å; K817-K819 PolarHBondContact O-N 2.68Å; K817-N820 PolarHBondContact O-N 2.98Å; K817-S821 PolarHBondContact O-N 3.32Å; K817-S821 PolarHBondContact O-OG 2.89Å |
| 818 | V | 67.9 | Low | 67.9 | Low | 106 Ų | 106 | 93.6 Ų | 93.6 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.6 | -27.3 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 112 | C814 S821 | C814-V818 VanDerWaalsContact O-CG2 3.29Å; C814-V818 WeakPolarHBondContact O-CG2 3.32Å; C814-V818 PolarHBondContact O-N 3.23Å; V818-S821 PolarHBondContact O-OG 3.25Å; V818-S821 VanDerWaalsContact O-OXT 3.14Å |
| 819 | K | 63.2 | Low | 67.3 | Low | 166 Ų | 166 | 97.5 Ų | 97.5 | 72% | 0.722 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -82.5 | -23.2 | 176.2 | -161 | 176.6 | -178.7 | -176 | 0 | 113 | H815 E816 K817 | H815-K819 WeakPolarHBondContact O-CB 3.05Å; H815-K819 PolarHBondContact O-N 2.83Å; E816-K819 PolarHBondContact O-N 2.79Å; K817-K819 VanDerWaalsContact C-N 3.26Å; K817-K819 PolarHBondContact O-N 2.68Å |
| 820 | N | 54.8 | Low | 66.7 | Low | 135 Ų | 135 | 104.8 Ų | 104.8 | 72% | 0.722 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -96 | -11.9 | 178.8 | -70.6 | -8.9 | 0 | 0 | 0 | 113.5 | E816 K817 | E816-N820 WeakPolarHBondContact O-CB 3.37Å; E816-N820 VanDerWaalsContact O-CG 3.31Å; E816-N820 PolarHBondContact O-N 2.86Å; K817-N820 PolarHBondContact O-N 2.98Å |
| 821 | S | 50.4 | Low | 65.8 | Low | 145 Ų | 145 | 107.1 Ų | 107.1 | 100% | 1.014 | 58% | 0.582 | S | S | * | * | trans | -90.4 | 0 | 164.4 | 73 | 0 | 0 | 0 | 0 | 109.9 | K817 V818 | K817-S821 PolarHBondContact O-N 3.32Å; K817-S821 PolarHBondContact O-OG 2.89Å; V818-S821 PolarHBondContact O-OG 3.25Å; V818-S821 VanDerWaalsContact O-OXT 3.14Å |
Retrieved 821 of 821 residues in 341.2 ms
(Link to these results)