| 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 | 44.4 | Very low | 41.6 | Very low | 200 Ų | 200 | 124.6 Ų | 124.6 | 99% | 0.985 | 66% | 0.657 | S | S | * | * | 0 | -35 | 0 | -76.3 | 177.6 | 169.3 | 0 | 0 | 114.2 | S3 Q5 | M1-S3 PolarHBondContact O-N 3.01Å; M1-Q5 PolarHBondContact O-N 3.36Å | |||
| 2 | V | 41.6 | Very low | 41.7 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 68% | 0.679 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.8 | -27.5 | 179.6 | -178.8 | 0 | 0 | 0 | 0 | 114.6 | K6 | V2-K6 PolarHBondContact O-N 3.12Å |
| 3 | S | 39.4 | Very low | 42.2 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.4 | -34.5 | 178 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | M1 S7 | M1-S3 PolarHBondContact O-N 3.01Å; S3-S7 PolarHBondContact O-N 3.37Å |
| 4 | Q | 38 | Very low | 42.1 | Very low | 153 Ų | 153 | 114.7 Ų | 114.7 | 72% | 0.715 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.6 | -34 | 176.7 | -83.3 | -178.7 | -32.6 | 0 | 0 | 112.3 | S7 G8 | Q4-S7 PolarHBondContact O-N 3.3Å; Q4-G8 PolarHBondContact O-N 3.5Å; Q4-G8 VanDerWaalsContact O-N 3.1Å |
| 5 | Q | 36.9 | Very low | 42.1 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.1 | -31 | 178.1 | -159.1 | 168.6 | -6.1 | 0 | 0 | 112.9 | M1 K9 | M1-Q5 PolarHBondContact O-N 3.36Å; Q5-K9 PolarHBondContact O-N 3.25Å |
| 6 | K | 42.5 | Very low | 42.7 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.8 | -38.5 | 170.8 | -80.2 | -173.8 | 176.9 | -178.5 | 0 | 112.6 | V2 K9 F10 | V2-K6 PolarHBondContact O-N 3.12Å; K6-K9 PolarHBondContact O-N 3.18Å; K6-F10 PolarHBondContact O-N 2.77Å |
| 7 | S | 39.6 | Very low | 43.1 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 177.8 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | S3 Q4 F10 T11 | S3-S7 PolarHBondContact O-N 3.37Å; Q4-S7 PolarHBondContact O-N 3.3Å; S7-F10 PolarHBondContact O-N 3.33Å; S7-T11 PolarHBondContact O-N 2.94Å; S7-T11 PolarHBondContact O-OG1 3.43Å |
| 8 | G | 38.2 | Very low | 43.2 | Very low | 45 Ų | 45 | 119.7 Ų | 119.7 | 46% | 0.464 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q4 T11 G12 | Q4-G8 PolarHBondContact O-N 3.5Å; Q4-G8 VanDerWaalsContact O-N 3.1Å; G8-T11 WeakPolarHBondContact CA-OG1 3.3Å; G8-T11 PolarHBondContact O-OG1 2.95Å; G8-G12 PolarHBondContact O-N 3.03Å |
| 9 | K | 46.3 | Very low | 43.9 | Very low | 174 Ų | 174 | 116.1 Ų | 116.1 | 76% | 0.757 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66 | -42.1 | 173.4 | -100 | -174.5 | 174.5 | -177.4 | 0 | 112.3 | Q5 K6 L13 | Q5-K9 PolarHBondContact O-N 3.25Å; K6-K9 PolarHBondContact O-N 3.18Å; K9-L13 VanDerWaalsContact O-CB 3.27Å; K9-L13 WeakPolarHBondContact O-CB 3.33Å; K9-L13 PolarHBondContact O-N 3.23Å |
| 10 | F | 45.2 | Very low | 45.2 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.3 | -42.2 | -179.9 | -169.9 | -98.3 | 0 | 0 | 0 | 112.1 | K6 S7 L13 M14 | K6-F10 PolarHBondContact O-N 2.77Å; S7-F10 PolarHBondContact O-N 3.33Å; F10-L13 PolarHBondContact O-N 2.92Å; F10-M14 HydrophobicContact CE1-SD 4Å; F10-M14 HydrophobicContact CZ-SD 4.46Å; F10-M14 WeakPolarHBondContact O-CB 3.48Å; F10-M14 PolarHBondContact O-N 3.16Å |
| 11 | T | 45.9 | Very low | 46.5 | Very low | 77 Ų | 77 | 111.5 Ų | 111.5 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.2 | -37.7 | 175.8 | 38.4 | 0 | 0 | 0 | 0 | 112.8 | S7 G8 M14 K15 | S7-T11 PolarHBondContact O-N 2.94Å; S7-T11 PolarHBondContact O-OG1 3.43Å; G8-T11 WeakPolarHBondContact CA-OG1 3.3Å; G8-T11 PolarHBondContact O-OG1 2.95Å; T11-M14 PolarHBondContact O-N 2.97Å; T11-K15 WeakPolarHBondContact O-CB 3.33Å; T11-K15 PolarHBondContact O-N 3.48Å |
| 12 | G | 42 | Very low | 48.5 | Very low | 38 Ų | 38 | 102.7 Ų | 102.7 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G8 K15 R16 | G8-G12 PolarHBondContact O-N 3.03Å; G12-K15 PolarHBondContact O-N 3.3Å; G12-R16 PolarHBondContact O-N 3.44Å |
| 13 | L | 49 | Very low | 50.9 | Low | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.1 | -173.6 | 74.3 | 0 | 0 | 0 | 111.1 | K9 F10 R16 L17 | K9-L13 VanDerWaalsContact O-CB 3.27Å; K9-L13 WeakPolarHBondContact O-CB 3.33Å; K9-L13 PolarHBondContact O-N 3.23Å; F10-L13 PolarHBondContact O-N 2.92Å; L13-R16 PolarHBondContact O-N 3.21Å; L13-L17 HydrophobicContact CD2-CD1 4.46Å; L13-L17 HydrophobicContact CG-CD1 3.99Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 2.81Å |
| 14 | M | 40.1 | Very low | 53.5 | Low | 95 Ų | 95 | 93.8 Ų | 93.8 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -38 | 180 | -158.8 | 153.4 | 82.9 | 0 | 0 | 111.9 | F10 T11 L17 L18 | F10-M14 HydrophobicContact CE1-SD 4Å; F10-M14 HydrophobicContact CZ-SD 4.46Å; F10-M14 WeakPolarHBondContact O-CB 3.48Å; F10-M14 PolarHBondContact O-N 3.16Å; T11-M14 PolarHBondContact O-N 2.97Å; M14-L17 PolarHBondContact O-N 3.28Å; M14-L18 HydrophobicContact CG-CD1 4.1Å; M14-L18 WeakPolarHBondContact O-CB 3.39Å; M14-L18 WeakPolarHBondContact O-CD1 3.38Å; M14-L18 PolarHBondContact O-N 3.38Å |
| 15 | K | 42.6 | Very low | 56.2 | Low | 173 Ų | 173 | 88.5 Ų | 88.5 | 75% | 0.752 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 172.5 | -108.5 | -177.3 | 176.2 | -179.4 | 0 | 112.9 | T11 G12 L18 G19 | T11-K15 WeakPolarHBondContact O-CB 3.33Å; T11-K15 PolarHBondContact O-N 3.48Å; G12-K15 PolarHBondContact O-N 3.3Å; K15-L18 PolarHBondContact O-N 2.91Å; K15-G19 PolarHBondContact O-N 3.34Å |
| 16 | R | 51.7 | Low | 58.9 | Low | 182 Ų | 182 | 81.2 Ų | 81.2 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.3 | -47.9 | 172.1 | -99.1 | -174.8 | 174.9 | 175.8 | -0.8 | 111 | G12 L13 L18 G19 E20 | G12-R16 PolarHBondContact O-N 3.44Å; L13-R16 PolarHBondContact O-N 3.21Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.16Å; R16-G19 PolarHBondContact O-N 3.44Å; R16-E20 WeakPolarHBondContact O-CG 3.49Å; R16-E20 PolarHBondContact O-N 3.47Å; R16-E20 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 49 | Very low | 61.4 | Low | 76 Ų | 76 | 73.8 Ų | 73.8 | 40% | 0.398 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.8 | -74 | 166.2 | 0 | 0 | 0 | 112.5 | L13 M14 E20 V21 | L13-L17 HydrophobicContact CD2-CD1 4.46Å; L13-L17 HydrophobicContact CG-CD1 3.99Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 2.81Å; M14-L17 PolarHBondContact O-N 3.28Å; L17-E20 PolarHBondContact O-N 2.94Å; L17-V21 WeakPolarHBondContact O-CG2 3.31Å; L17-V21 PolarHBondContact O-N 3.24Å |
| 18 | L | 45.9 | Very low | 64.2 | Low | 117 Ų | 117 | 73.2 Ų | 73.2 | 61% | 0.613 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.5 | -35.4 | 176.4 | -90 | 146.8 | 0 | 0 | 0 | 113.1 | M14 K15 R16 E20 V21 | M14-L18 HydrophobicContact CG-CD1 4.1Å; M14-L18 WeakPolarHBondContact O-CB 3.39Å; M14-L18 WeakPolarHBondContact O-CD1 3.38Å; M14-L18 PolarHBondContact O-N 3.38Å; K15-L18 PolarHBondContact O-N 2.91Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.16Å; L18-E20 VanDerWaalsContact C-N 3.27Å; L18-E20 PolarHBondContact O-N 3Å; L18-V21 WeakPolarHBondContact O-CG2 3.5Å |
| 19 | G | 56 | Low | 67 | Low | 52 Ų | 52 | 72.5 Ų | 72.5 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.4 | -25.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K15 R16 R225 | K15-G19 PolarHBondContact O-N 3.34Å; R16-G19 PolarHBondContact O-N 3.44Å; G19-R225 PolarHBondContact O-NH2 2.96Å |
| 20 | E | 70.2 | Confident | 69.3 | Low | 100 Ų | 100 | 64.3 Ų | 64.3 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 7.1 | -178.2 | -70.2 | -177 | -175.9 | 0 | 0 | 114.2 | R16 L17 L18 T22 R176 | R16-E20 WeakPolarHBondContact O-CG 3.49Å; R16-E20 PolarHBondContact O-N 3.47Å; R16-E20 VanDerWaalsContact O-N 3.13Å; L17-E20 PolarHBondContact O-N 2.94Å; L18-E20 VanDerWaalsContact C-N 3.27Å; L18-E20 PolarHBondContact O-N 3Å; E20-T22 WeakPolarHBondContact O-CG2 3.45Å; E20-T22 PolarHBondContact O-N 2.99Å; E20-R176 PolarHBondContact O-NH1 2.9Å; E20-R176 PolarHBondContact O-NH2 3.36Å |
| 21 | V | 71.3 | Confident | 71.7 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 22% | 0.218 | 31% | 0.314 | C | S | . | . | trans | -61.5 | 124.1 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 110 | L17 L18 P25 R225 | L17-V21 WeakPolarHBondContact O-CG2 3.31Å; L17-V21 PolarHBondContact O-N 3.24Å; L18-V21 WeakPolarHBondContact O-CG2 3.5Å; V21-P25 HydrophobicContact CG1-CG 3.29Å; V21-R225 PolarHBondContact O-NE 3.47Å; V21-R225 PolarHBondContact O-NH2 3.28Å | ||
| 22 | T | 86.3 | Confident | 74.1 | Confident | 15 Ų | 15 | 57 Ų | 57 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | trans | -122.5 | -87.8 | -174 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | E20 E24 Y162 V166 R176 Y221 | E20-T22 WeakPolarHBondContact O-CG2 3.45Å; E20-T22 PolarHBondContact O-N 2.99Å; T22-E24 PolarHBondContact N-OE2 3.2Å; T22-E24 PolarHBondContact OG1-OE2 2.96Å; T22-Y162 HydrophobicContact CG2-CE1 4.41Å; T22-V166 HydrophobicContact CG2-CG1 4.05Å; T22-R176 PolarHBondContact OG1-NH2 2.94Å; T22-Y221 PolarHBondContact O-OH 3.44Å | ||
| 23 | V | 92.9 | Very high | 76.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -94.4 | -10.1 | -174.6 | -67.3 | 0 | 0 | 0 | 0 | 113 | L26 V27 Y162 L163 L180 L226 | V23-L26 WeakPolarHBondContact O-CB 3.34Å; V23-L26 PolarHBondContact O-N 3.44Å; V23-V27 WeakPolarHBondContact O-CG2 3.24Å; V23-V27 PolarHBondContact O-N 2.97Å; V23-Y162 HydrophobicContact CG1-CD1 3.44Å; V23-Y162 VanDerWaalsContact CG1-CD1 3.44Å; V23-Y162 HydrophobicContact CG1-CE1 4.15Å; V23-Y162 HydrophobicContact CG1-CG 4.06Å; V23-L163 HydrophobicContact CG2-CB 4.3Å; V23-L180 HydrophobicContact CG2-CD1 4.22Å; V23-L180 HydrophobicContact CG2-CD2 4.38Å; V23-L226 HydrophobicContact CG1-CD2 3.85Å |
| 24 | E | 93.2 | Very high | 78.9 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | -174.2 | -60.2 | 82.7 | 170.2 | 0 | 0 | 113.2 | T22 L26 V27 F28 R176 L180 V183 | T22-E24 PolarHBondContact N-OE2 3.2Å; T22-E24 PolarHBondContact OG1-OE2 2.96Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3Å; E24-V27 PolarHBondContact O-N 3.47Å; E24-F28 WeakPolarHBondContact O-CB 3.25Å; E24-F28 PolarHBondContact O-N 3.39Å; E24-R176 IonicContact OE1-CZ 3.82Å; E24-R176 IonicContact OE1-NE 2.57Å; E24-R176 PolarHBondContact OE1-NE 2.85Å; E24-R176 IonicContact OE1-NH2 2.65Å; E24-R176 PolarHBondContact OE1-NH2 3.39Å; E24-R176 IonicContact OE2-NH2 3.76Å; E24-R176 PolarHBondContact OE2-NH2 3.47Å; E24-L180 HydrophobicContact CB-CD1 4.36Å; E24-L180 HydrophobicContact CG-CD1 4Å; E24-V183 HydrophobicContact CB-CG2 4.42Å |
| 25 | P | 94.7 | Very high | 81.5 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.4 | -32.7 | -179.1 | -21.8 | 37.5 | 0 | 0 | 0 | 112.6 | V21 F28 L29 Y221 | V21-P25 HydrophobicContact CG1-CG 3.29Å; P25-F28 PolarHBondContact O-N 3.19Å; P25-L29 WeakPolarHBondContact O-CB 3.43Å; P25-L29 VanDerWaalsContact O-CG 3.31Å; P25-L29 WeakPolarHBondContact O-CG 3.36Å; P25-L29 PolarHBondContact O-N 3.46Å; P25-Y221 HydrophobicContact CB-CE1 4.11Å; P25-Y221 HydrophobicContact CB-CE2 4.22Å; P25-Y221 WeakPolarHBondContact CD-OH 3.48Å; P25-Y221 HydrophobicContact CG-CE1 4.38Å; P25-Y221 HydrophobicContact CG-CE2 4.41Å; P25-Y221 WeakPolarHBondContact CG-OH 3.43Å |
| 26 | L | 95.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -52.9 | 171.8 | 163.3 | 61.5 | 0 | 0 | 0 | 110.7 | V23 E24 F28 L29 N30 I111 I115 A218 Y221 S222 L226 | V23-L26 WeakPolarHBondContact O-CB 3.34Å; V23-L26 PolarHBondContact O-N 3.44Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 3.27Å; L26-L29 PolarHBondContact O-N 3.41Å; L26-N30 WeakPolarHBondContact O-CB 3.48Å; L26-N30 PolarHBondContact O-N 2.98Å; L26-I111 HydrophobicContact CD2-CD1 4.2Å; L26-I111 HydrophobicContact CD2-CG2 3.52Å; L26-I115 HydrophobicContact CD1-CD1 3.71Å; L26-A218 HydrophobicContact CD1-CB 3.91Å; L26-Y221 HydrophobicContact CB-CD1 3.96Å; L26-Y221 HydrophobicContact CB-CE1 4.09Å; L26-S222 WeakPolarHBondContact CD1-OG 3.07Å; L26-S222 WeakPolarHBondContact CD2-OG 3.49Å; L26-L226 HydrophobicContact CD2-CD1 4.03Å |
| 27 | V | 95 | Very high | 86.2 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | -178.7 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | V23 E24 N30 F31 L180 I184 | V23-V27 WeakPolarHBondContact O-CG2 3.24Å; V23-V27 PolarHBondContact O-N 2.97Å; E24-V27 PolarHBondContact O-N 3.47Å; V27-N30 PolarHBondContact O-N 3.28Å; V27-F31 HydrophobicContact CG1-CD2 4Å; V27-F31 HydrophobicContact CG1-CE2 4.2Å; V27-F31 WeakPolarHBondContact O-CD2 3.01Å; V27-F31 PolarHBondContact O-N 2.89Å; V27-F31 VanDerWaalsContact O-N 3.09Å; V27-L180 HydrophobicContact CB-CD1 3.94Å; V27-L180 HydrophobicContact CG1-CD1 4.15Å; V27-L180 HydrophobicContact CG2-CD1 3.96Å; V27-I184 HydrophobicContact CG1-CD1 3.94Å; V27-I184 HydrophobicContact CG1-CG1 3.33Å |
| 28 | F | 96.7 | Very high | 88.2 | Confident | 61 Ų | 61 | 29.9 Ų | 29.9 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.3 | -54.2 | 172.3 | -176 | -96.9 | 0 | 0 | 0 | 111.8 | E24 P25 L26 N30 F31 L32 V183 A187 I190 | E24-F28 WeakPolarHBondContact O-CB 3.25Å; E24-F28 PolarHBondContact O-N 3.39Å; P25-F28 PolarHBondContact O-N 3.19Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 3.27Å; F28-N30 VanDerWaalsContact C-N 3.29Å; F28-N30 PolarHBondContact O-N 3.39Å; F28-F31 PolarHBondContact O-N 3.31Å; F28-L32 HydrophobicContact CE1-CD2 4.12Å; F28-L32 VanDerWaalsContact O-CB 3.22Å; F28-L32 WeakPolarHBondContact O-CB 3.47Å; F28-L32 PolarHBondContact O-N 2.96Å; F28-V183 HydrophobicContact CB-CG1 3.53Å; F28-V183 HydrophobicContact CD2-CG1 3.88Å; F28-V183 HydrophobicContact CG-CG1 4.19Å; F28-A187 HydrophobicContact CD2-CB 3.61Å; F28-A187 HydrophobicContact CE2-CB 3.88Å; F28-A187 HydrophobicContact CG-CB 4.2Å; F28-A187 WeakPolarHBondContact O-CB 3.29Å; F28-I190 HydrophobicContact CE2-CD1 4.2Å; F28-I190 HydrophobicContact CZ-CD1 4.18Å |
| 29 | L | 97 | Very high | 90.5 | Very high | 30 Ų | 30 | 24.4 Ų | 24.4 | 16% | 0.157 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | -179.7 | -73.1 | 170.1 | 0 | 0 | 0 | 111.9 | P25 L26 L32 A33 L214 I217 A218 | P25-L29 WeakPolarHBondContact O-CB 3.43Å; P25-L29 VanDerWaalsContact O-CG 3.31Å; P25-L29 WeakPolarHBondContact O-CG 3.36Å; P25-L29 PolarHBondContact O-N 3.46Å; L26-L29 PolarHBondContact O-N 3.41Å; L29-L32 PolarHBondContact O-N 3.12Å; L29-A33 VanDerWaalsContact O-CB 3.23Å; L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 3Å; L29-L214 HydrophobicContact CD2-CD2 4.28Å; L29-I217 HydrophobicContact CD1-CG2 3.93Å; L29-A218 HydrophobicContact CB-CB 3.83Å; L29-A218 HydrophobicContact CD1-CB 4.19Å |
| 30 | N | 95.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | -180 | -171.4 | 4.8 | 0 | 0 | 0 | 111.7 | L26 V27 F28 A33 L34 V155 M215 | L26-N30 WeakPolarHBondContact O-CB 3.48Å; L26-N30 PolarHBondContact O-N 2.98Å; V27-N30 PolarHBondContact O-N 3.28Å; F28-N30 VanDerWaalsContact C-N 3.29Å; F28-N30 PolarHBondContact O-N 3.39Å; N30-A33 PolarHBondContact O-N 3.17Å; N30-L34 WeakPolarHBondContact O-CB 3.32Å; N30-L34 PolarHBondContact O-N 3.01Å; N30-V155 VanDerWaalsContact ND2-CG1 3.28Å; N30-V155 WeakPolarHBondContact ND2-CG1 3.4Å; N30-M215 HydrophobicContact CB-CE 4.28Å; N30-M215 VanDerWaalsContact OD1-CE 3.28Å; N30-M215 WeakPolarHBondContact OD1-CE 3.31Å |
| 31 | F | 95.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 18 Ų | 18 | 15% | 0.145 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.8 | -32.6 | 178.4 | -86.5 | -92 | 0 | 0 | 0 | 113.5 | V27 F28 L34 A35 L156 I184 A187 | V27-F31 HydrophobicContact CG1-CD2 4Å; V27-F31 HydrophobicContact CG1-CE2 4.2Å; V27-F31 WeakPolarHBondContact O-CD2 3.01Å; V27-F31 PolarHBondContact O-N 2.89Å; V27-F31 VanDerWaalsContact O-N 3.09Å; F28-F31 PolarHBondContact O-N 3.31Å; F31-L34 HydrophobicContact CD1-CD2 4.3Å; F31-L34 HydrophobicContact CE1-CD2 4.47Å; F31-L34 PolarHBondContact O-N 3.18Å; F31-A35 PolarHBondContact O-N 2.92Å; F31-A35 VanDerWaalsContact O-N 3.17Å; F31-L156 HydrophobicContact CE2-CD1 3.89Å; F31-L156 HydrophobicContact CE2-CD2 3.81Å; F31-L156 HydrophobicContact CE2-CG 3.96Å; F31-L156 HydrophobicContact CZ-CD1 3.64Å; F31-L156 HydrophobicContact CZ-CD2 4.06Å; F31-L156 HydrophobicContact CZ-CG 4.19Å; F31-I184 HydrophobicContact CD1-CG2 3.79Å; F31-I184 HydrophobicContact CD2-CB 4.47Å; F31-I184 HydrophobicContact CD2-CG1 4.01Å; F31-I184 HydrophobicContact CD2-CG2 4.08Å; F31-I184 HydrophobicContact CE1-CG2 3.58Å; F31-I184 HydrophobicContact CE2-CB 4.45Å; F31-I184 HydrophobicContact CE2-CD1 4.15Å; F31-I184 HydrophobicContact CE2-CG1 3.83Å; F31-I184 HydrophobicContact CE2-CG2 3.9Å; F31-I184 HydrophobicContact CG-CG2 4Å; F31-I184 HydrophobicContact CZ-CD1 4.43Å; F31-I184 HydrophobicContact CZ-CG1 4.31Å; F31-I184 HydrophobicContact CZ-CG2 3.6Å; F31-A187 HydrophobicContact CB-CB 3.67Å |
| 32 | L | 96.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 16.9 Ų | 16.9 | 10% | 0.099 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.9 | -50.4 | 172 | -172.7 | 77 | 0 | 0 | 0 | 109.8 | F28 L29 L34 A35 Y36 I190 L214 | F28-L32 HydrophobicContact CE1-CD2 4.12Å; F28-L32 VanDerWaalsContact O-CB 3.22Å; F28-L32 WeakPolarHBondContact O-CB 3.47Å; F28-L32 PolarHBondContact O-N 2.96Å; L29-L32 PolarHBondContact O-N 3.12Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.44Å; L32-A35 WeakPolarHBondContact O-CB 3.27Å; L32-A35 PolarHBondContact O-N 2.94Å; L32-A35 VanDerWaalsContact O-N 3.15Å; L32-Y36 WeakPolarHBondContact O-CD2 3.34Å; L32-Y36 PolarHBondContact O-N 3.01Å; L32-I190 HydrophobicContact CD1-CB 4.41Å; L32-I190 HydrophobicContact CD1-CG2 4.07Å; L32-L214 HydrophobicContact CD2-CD1 3.87Å; L32-L214 HydrophobicContact CD2-CD2 4.12Å; L32-L214 HydrophobicContact CG-CD1 4.07Å |
| 33 | A | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.9 | -35.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L29 N30 A35 Y36 F37 W122 G211 L214 M215 | L29-A33 VanDerWaalsContact O-CB 3.23Å; L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 3Å; N30-A33 PolarHBondContact O-N 3.17Å; A33-A35 PolarHBondContact O-N 3.41Å; A33-Y36 WeakPolarHBondContact O-CB 3.39Å; A33-Y36 PolarHBondContact O-N 3.45Å; A33-Y36 VanDerWaalsContact O-N 3.11Å; A33-F37 PolarHBondContact O-N 3.19Å; A33-W122 HydrophobicContact CB-CH2 4.18Å; A33-W122 HydrophobicContact CB-CZ3 3.83Å; A33-G211 WeakPolarHBondContact CB-O 3.47Å; A33-L214 HydrophobicContact CB-CB 3.7Å; A33-L214 HydrophobicContact CB-CD1 4.32Å; A33-M215 HydrophobicContact CB-CE 3.35Å |
| 34 | L | 95 | Very high | 94.5 | Very high | 31 Ų | 31 | 17 Ų | 17 | 16% | 0.162 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.7 | -36.6 | 174 | -178 | 66 | 0 | 0 | 0 | 111.8 | N30 F31 L32 Y36 F37 A38 W122 L152 | N30-L34 WeakPolarHBondContact O-CB 3.32Å; N30-L34 PolarHBondContact O-N 3.01Å; F31-L34 HydrophobicContact CD1-CD2 4.3Å; F31-L34 HydrophobicContact CE1-CD2 4.47Å; F31-L34 PolarHBondContact O-N 3.18Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.44Å; L34-Y36 VanDerWaalsContact C-N 3.35Å; L34-F37 PolarHBondContact O-N 3.15Å; L34-A38 VanDerWaalsContact O-CB 3.29Å; L34-A38 WeakPolarHBondContact O-CB 3.42Å; L34-A38 PolarHBondContact O-N 3.41Å; L34-W122 HydrophobicContact CB-CH2 4.35Å; L34-W122 HydrophobicContact CD1-CH2 4.47Å; L34-W122 HydrophobicContact CD1-CZ2 4Å; L34-L152 HydrophobicContact CD1-CD2 4.49Å; L34-L152 HydrophobicContact CD2-CD2 3.58Å |
| 35 | A | 94.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 16.1 Ų | 16.1 | 8% | 0.083 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F31 L32 A33 F37 | F31-A35 PolarHBondContact O-N 2.92Å; F31-A35 VanDerWaalsContact O-N 3.17Å; L32-A35 WeakPolarHBondContact O-CB 3.27Å; L32-A35 PolarHBondContact O-N 2.94Å; L32-A35 VanDerWaalsContact O-N 3.15Å; A33-A35 PolarHBondContact O-N 3.41Å; A35-F37 VanDerWaalsContact C-N 3.27Å; A35-F37 PolarHBondContact O-N 3.27Å |
| 36 | Y | 96.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 15.5 Ų | 15.5 | 8% | 0.082 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.9 | -23.7 | 173.5 | -82 | -96.2 | 0 | 0 | 0 | 113.4 | L32 A33 L34 P40 S194 A195 C198 V207 I210 L214 | L32-Y36 WeakPolarHBondContact O-CD2 3.34Å; L32-Y36 PolarHBondContact O-N 3.01Å; A33-Y36 WeakPolarHBondContact O-CB 3.39Å; A33-Y36 PolarHBondContact O-N 3.45Å; A33-Y36 VanDerWaalsContact O-N 3.11Å; L34-Y36 VanDerWaalsContact C-N 3.35Å; Y36-P40 WeakPolarHBondContact O-CD 3.32Å; Y36-P40 VanDerWaalsContact O-CG 3.26Å; Y36-P40 WeakPolarHBondContact O-CG 3.2Å; Y36-S194 VanDerWaalsContact CE2-OG 3.31Å; Y36-S194 WeakPolarHBondContact CE2-OG 3.36Å; Y36-S194 VanDerWaalsContact OH-CB 3.29Å; Y36-S194 WeakPolarHBondContact OH-CB 3.33Å; Y36-S194 PolarHBondContact OH-OG 3.41Å; Y36-A195 HydrophobicContact CD1-CB 4.13Å; Y36-A195 HydrophobicContact CD2-CB 4.19Å; Y36-A195 HydrophobicContact CE1-CB 4.22Å; Y36-A195 HydrophobicContact CE2-CB 4.29Å; Y36-A195 HydrophobicContact CG-CB 4.1Å; Y36-C198 HydrophobicContact CE1-CB 4.09Å; Y36-V207 HydrophobicContact CD1-CG1 3.68Å; Y36-V207 HydrophobicContact CE1-CG1 4.41Å; Y36-I210 HydrophobicContact CD1-CB 3.83Å; Y36-I210 HydrophobicContact CD1-CD1 4.39Å; Y36-I210 HydrophobicContact CD1-CG2 3.67Å; Y36-I210 HydrophobicContact CE1-CB 4.11Å; Y36-I210 HydrophobicContact CE1-CD1 4.03Å; Y36-I210 HydrophobicContact CE1-CG2 3.63Å; Y36-I210 HydrophobicContact CG-CG2 4.22Å; Y36-L214 HydrophobicContact CD2-CD1 3.95Å; Y36-L214 HydrophobicContact CE2-CD1 4.19Å |
| 37 | F | 95.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 6% | 0.057 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -90.6 | -46.6 | 178.5 | -179.2 | -103.5 | 0 | 0 | 0 | 113 | A33 L34 A35 V39 P40 M41 W122 T125 I208 | A33-F37 PolarHBondContact O-N 3.19Å; L34-F37 PolarHBondContact O-N 3.15Å; A35-F37 VanDerWaalsContact C-N 3.27Å; A35-F37 PolarHBondContact O-N 3.27Å; F37-V39 PolarHBondContact O-N 3.1Å; F37-P40 WeakPolarHBondContact O-CD 3.39Å; F37-M41 HydrophobicContact CD1-CB 4.21Å; F37-M41 HydrophobicContact CE1-CB 3.85Å; F37-M41 HydrophobicContact CE1-CG 3.79Å; F37-M41 HydrophobicContact CE2-CB 4.17Å; F37-M41 HydrophobicContact CE2-CG 4.39Å; F37-M41 HydrophobicContact CE2-SD 4.47Å; F37-M41 HydrophobicContact CZ-CB 3.83Å; F37-M41 HydrophobicContact CZ-CE 4.25Å; F37-M41 HydrophobicContact CZ-CG 3.66Å; F37-M41 HydrophobicContact CZ-SD 3.94Å; F37-M41 WeakPolarHBondContact O-CB 3.47Å; F37-M41 PolarHBondContact O-N 3.29Å; F37-W122 HydrophobicContact CB-CD2 3.94Å; F37-W122 HydrophobicContact CB-CE3 4Å; F37-W122 HydrophobicContact CB-CH2 3.96Å; F37-W122 HydrophobicContact CB-CZ2 3.89Å; F37-W122 HydrophobicContact CB-CZ3 4Å; F37-W122 AromaticContact CD1-CD1 3.87Å; F37-W122 HydrophobicContact CD1-CD2 4.17Å; F37-W122 AromaticContact CD1-CE2 3.57Å; F37-W122 HydrophobicContact CD1-CG 4.34Å; F37-W122 AromaticContact CD1-CZ2 3.98Å; F37-W122 HydrophobicContact CD1-CZ2 3.98Å; F37-W122 AromaticContact CD1-NE1 3.38Å; F37-W122 HydrophobicContact CD2-CB 3.93Å; F37-W122 AromaticContact CD2-CD1 3.63Å; F37-W122 AromaticContact CD2-CD2 3.63Å; F37-W122 HydrophobicContact CD2-CD2 3.63Å; F37-W122 AromaticContact CD2-CE2 3.94Å; F37-W122 HydrophobicContact CD2-CE3 4.25Å; F37-W122 AromaticContact CD2-CG 3.45Å; F37-W122 HydrophobicContact CD2-CG 3.45Å; F37-W122 VanDerWaalsContact CD2-CG 3.45Å; F37-W122 AromaticContact CD2-NE1 3.92Å; F37-W122 AromaticContact CE1-CD1 3.61Å; F37-W122 HydrophobicContact CE1-CG 4.39Å; F37-W122 AromaticContact CE1-NE1 3.39Å; F37-W122 HydrophobicContact CE2-CB 3.86Å; F37-W122 AromaticContact CE2-CD1 3.36Å; F37-W122 HydrophobicContact CE2-CD2 4.17Å; F37-W122 AromaticContact CE2-CG 3.52Å; F37-W122 HydrophobicContact CE2-CG 3.52Å; F37-W122 AromaticContact CE2-NE1 3.93Å; F37-W122 AromaticContact CG-CD1 3.88Å; F37-W122 AromaticContact CG-CD2 3.63Å; F37-W122 HydrophobicContact CG-CD2 3.63Å; F37-W122 AromaticContact CG-CE2 3.49Å; F37-W122 VanDerWaalsContact CG-CE2 3.49Å; F37-W122 HydrophobicContact CG-CE3 4.19Å; F37-W122 AromaticContact CG-CG 3.9Å; F37-W122 HydrophobicContact CG-CG 3.9Å; F37-W122 HydrophobicContact CG-CH2 4.49Å; F37-W122 AromaticContact CG-CZ2 3.97Å; F37-W122 HydrophobicContact CG-CZ2 3.97Å; F37-W122 AromaticContact CG-NE1 3.65Å; F37-W122 AromaticContact CZ-CD1 3.35Å; F37-W122 HydrophobicContact CZ-CG 4Å; F37-W122 AromaticContact CZ-NE1 3.68Å; F37-T125 HydrophobicContact CE2-CG2 4Å; F37-T125 HydrophobicContact CZ-CG2 4.38Å; F37-I208 HydrophobicContact CD2-CG1 4.37Å; F37-I208 HydrophobicContact CD2-CG2 4.13Å; F37-I208 HydrophobicContact CE2-CG2 4.45Å |
| 38 | A | 92.2 | Very high | 94.2 | Very high | 22 Ų | 22 | 21.7 Ų | 21.7 | 18% | 0.182 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | -160.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L34 Q42 R361 | L34-A38 VanDerWaalsContact O-CB 3.29Å; L34-A38 WeakPolarHBondContact O-CB 3.42Å; L34-A38 PolarHBondContact O-N 3.41Å; A38-Q42 PolarHBondContact O-N 3.42Å; A38-R361 VanDerWaalsContact CB-NH1 3.31Å |
| 39 | V | 93.3 | Very high | 94 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -76.6 | -46.9 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | F37 M41 Q42 T43 I199 A354 I357 | F37-V39 PolarHBondContact O-N 3.1Å; V39-M41 VanDerWaalsContact C-N 3.25Å; V39-M41 PolarHBondContact O-N 2.9Å; V39-Q42 PolarHBondContact O-N 3.47Å; V39-T43 HydrophobicContact CG1-CG2 4.14Å; V39-T43 WeakPolarHBondContact O-CG2 3.46Å; V39-T43 PolarHBondContact O-N 3.22Å; V39-T43 PolarHBondContact O-OG1 2.68Å; V39-I199 HydrophobicContact CG1-CD1 4.41Å; V39-A354 HydrophobicContact CG1-CB 4.22Å; V39-A354 WeakPolarHBondContact CG1-O 3.48Å; V39-I357 HydrophobicContact CG1-CB 4.05Å; V39-I357 HydrophobicContact CG1-CG2 3.9Å; V39-I357 HydrophobicContact CG2-CG2 3.97Å |
| 40 | P | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.2 | -31.8 | 174 | -30.8 | 41.5 | 0 | 0 | 0 | 114.2 | Y36 F37 T43 G44 I199 N204 V207 I208 | Y36-P40 WeakPolarHBondContact O-CD 3.32Å; Y36-P40 VanDerWaalsContact O-CG 3.26Å; Y36-P40 WeakPolarHBondContact O-CG 3.2Å; F37-P40 WeakPolarHBondContact O-CD 3.39Å; P40-T43 WeakPolarHBondContact CA-OG1 3.47Å; P40-T43 PolarHBondContact O-OG1 3.04Å; P40-G44 VanDerWaalsContact O-CA 3.3Å; P40-G44 WeakPolarHBondContact O-CA 3.24Å; P40-G44 PolarHBondContact O-N 3.41Å; P40-I199 HydrophobicContact CG-CD1 3.93Å; P40-I199 HydrophobicContact CG-CG1 4.17Å; P40-N204 HydrophobicContact CB-CB 4.11Å; P40-V207 HydrophobicContact CG-CB 4.09Å; P40-V207 HydrophobicContact CG-CG1 3.7Å; P40-I208 HydrophobicContact CB-CD1 4.04Å; P40-I208 HydrophobicContact CB-CG1 3.72Å |
| 41 | M | 92.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 21.2 Ų | 21.2 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -56.3 | 174.1 | 176.4 | 51 | 163.9 | 0 | 0 | 111.1 | F37 V39 T43 G44 I45 M83 T125 F129 | F37-M41 HydrophobicContact CD1-CB 4.21Å; F37-M41 HydrophobicContact CE1-CB 3.85Å; F37-M41 HydrophobicContact CE1-CG 3.79Å; F37-M41 HydrophobicContact CE2-CB 4.17Å; F37-M41 HydrophobicContact CE2-CG 4.39Å; F37-M41 HydrophobicContact CE2-SD 4.47Å; F37-M41 HydrophobicContact CZ-CB 3.83Å; F37-M41 HydrophobicContact CZ-CE 4.25Å; F37-M41 HydrophobicContact CZ-CG 3.66Å; F37-M41 HydrophobicContact CZ-SD 3.94Å; F37-M41 WeakPolarHBondContact O-CB 3.47Å; F37-M41 PolarHBondContact O-N 3.29Å; V39-M41 VanDerWaalsContact C-N 3.25Å; V39-M41 PolarHBondContact O-N 2.9Å; M41-T43 PolarHBondContact O-N 3.37Å; M41-G44 PolarHBondContact O-N 2.99Å; M41-I45 WeakPolarHBondContact O-CG2 3.02Å; M41-I45 PolarHBondContact O-N 3.23Å; M41-M83 HydrophobicContact CE-CE 4.07Å; M41-M83 HydrophobicContact CE-SD 3.36Å; M41-M83 WeakPolarHBondContact CE-SD 3.34Å; M41-T125 HydrophobicContact CE-CG2 4.19Å; M41-T125 HydrophobicContact SD-CG2 3.33Å; M41-T125 WeakPolarHBondContact SD-CG2 3.42Å; M41-F129 WeakPolarHBondContact O-CZ 3.42Å; M41-F129 HydrophobicContact SD-CE2 4.21Å; M41-F129 HydrophobicContact SD-CZ 3.8Å |
| 42 | Q | 90.4 | Very high | 93.5 | Very high | 12 Ų | 12 | 23.8 Ų | 23.8 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | -177.4 | -170.7 | 64.7 | 32.5 | 0 | 0 | 112.6 | A38 V39 I45 Y46 S80 N342 M346 | A38-Q42 PolarHBondContact O-N 3.42Å; V39-Q42 PolarHBondContact O-N 3.47Å; Q42-I45 WeakPolarHBondContact O-CG2 3.17Å; Q42-Y46 WeakPolarHBondContact O-CB 3.48Å; Q42-Y46 PolarHBondContact O-N 3.29Å; Q42-S80 PolarHBondContact NE2-OG 3.35Å; Q42-S80 PolarHBondContact OE1-OG 3.14Å; Q42-N342 HydrophobicContact CG-CB 3.88Å; Q42-M346 HydrophobicContact CG-CE 4.22Å |
| 43 | T | 92 | Very high | 93.4 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 9% | 0.092 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.3 | -31.6 | 179.7 | 58.4 | 0 | 0 | 0 | 0 | 112 | V39 P40 M41 K47 N204 M346 A354 I357 | V39-T43 HydrophobicContact CG1-CG2 4.14Å; V39-T43 WeakPolarHBondContact O-CG2 3.46Å; V39-T43 PolarHBondContact O-N 3.22Å; V39-T43 PolarHBondContact O-OG1 2.68Å; P40-T43 WeakPolarHBondContact CA-OG1 3.47Å; P40-T43 PolarHBondContact O-OG1 3.04Å; M41-T43 PolarHBondContact O-N 3.37Å; T43-K47 PolarHBondContact O-N 3.05Å; T43-N204 PolarHBondContact OG1-ND2 2.81Å; T43-N204 VanDerWaalsContact OG1-ND2 3.12Å; T43-M346 HydrophobicContact CG2-SD 3.78Å; T43-A354 HydrophobicContact CG2-CB 3.76Å; T43-I357 HydrophobicContact CG2-CD1 4.41Å |
| 44 | G | 92.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P40 M41 Y46 K47 V48 F129 N204 | P40-G44 VanDerWaalsContact O-CA 3.3Å; P40-G44 WeakPolarHBondContact O-CA 3.24Å; P40-G44 PolarHBondContact O-N 3.41Å; M41-G44 PolarHBondContact O-N 2.99Å; G44-Y46 VanDerWaalsContact C-N 3.3Å; G44-Y46 PolarHBondContact O-N 3.44Å; G44-K47 PolarHBondContact O-N 3.18Å; G44-V48 WeakPolarHBondContact O-CG2 3.32Å; G44-V48 PolarHBondContact O-N 3.46Å; G44-F129 VanDerWaalsContact C-CZ 3.47Å; G44-N204 WeakPolarHBondContact CA-ND2 3.27Å; G44-N204 PolarHBondContact N-ND2 2.89Å |
| 45 | I | 93 | Very high | 93 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 175.8 | -168.9 | 66.1 | 0 | 0 | 0 | 110.9 | M41 Q42 K47 V48 L49 W79 M83 F129 L136 L139 | M41-I45 WeakPolarHBondContact O-CG2 3.02Å; M41-I45 PolarHBondContact O-N 3.23Å; Q42-I45 WeakPolarHBondContact O-CG2 3.17Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 2.78Å; I45-V48 PolarHBondContact O-N 2.98Å; I45-L49 HydrophobicContact CG1-CD1 4.03Å; I45-L49 HydrophobicContact CG1-CG 4.41Å; I45-L49 WeakPolarHBondContact O-CB 3.22Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 3.25Å; I45-W79 HydrophobicContact CG1-CB 4.32Å; I45-M83 HydrophobicContact CB-CE 4.4Å; I45-M83 HydrophobicContact CG1-CE 3.99Å; I45-M83 HydrophobicContact CG2-CE 4.29Å; I45-F129 HydrophobicContact CB-CE1 4.38Å; I45-F129 HydrophobicContact CB-CZ 4.13Å; I45-F129 HydrophobicContact CD1-CE1 4.43Å; I45-L136 HydrophobicContact CD1-CD1 4.43Å; I45-L136 HydrophobicContact CD1-CD2 3.7Å; I45-L139 HydrophobicContact CD1-CD1 3.83Å |
| 46 | Y | 92.6 | Very high | 92.6 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58 | -45.4 | 175.3 | -168.2 | -91.1 | 0 | 0 | 0 | 111.5 | Q42 G44 L49 C50 L72 Q73 A76 L343 M346 | Q42-Y46 WeakPolarHBondContact O-CB 3.48Å; Q42-Y46 PolarHBondContact O-N 3.29Å; G44-Y46 VanDerWaalsContact C-N 3.3Å; G44-Y46 PolarHBondContact O-N 3.44Å; Y46-L49 PolarHBondContact O-N 3.05Å; Y46-C50 WeakPolarHBondContact O-CB 3.41Å; Y46-C50 PolarHBondContact O-N 3.4Å; Y46-L72 HydrophobicContact CD1-CD2 3.9Å; Y46-L72 HydrophobicContact CD2-CD2 4.42Å; Y46-L72 HydrophobicContact CD2-CG 4.24Å; Y46-L72 HydrophobicContact CE1-CD2 3.33Å; Y46-L72 HydrophobicContact CE1-CG 4.13Å; Y46-L72 HydrophobicContact CE2-CD2 3.92Å; Y46-L72 HydrophobicContact CE2-CG 3.77Å; Y46-L72 HydrophobicContact CG-CD2 4.41Å; Y46-Q73 HydrophobicContact CE2-CG 4.36Å; Y46-A76 HydrophobicContact CD2-CB 3.7Å; Y46-A76 HydrophobicContact CE2-CB 4.29Å; Y46-L343 HydrophobicContact CD2-CD2 4Å; Y46-L343 HydrophobicContact CE2-CD2 4.31Å; Y46-M346 HydrophobicContact CD1-SD 4.48Å; Y46-M346 HydrophobicContact CD2-CE 3.99Å; Y46-M346 HydrophobicContact CG-CE 4.2Å; Y46-M346 HydrophobicContact CG-SD 4.24Å |
| 47 | K | 91.6 | Very high | 92.2 | Very high | 127 Ų | 127 | 39.2 Ų | 39.2 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -65.2 | -44.7 | 177.5 | -173.8 | 174.1 | -177.9 | 174.3 | 0 | 112.8 | T43 G44 I45 L49 C50 I51 | T43-K47 PolarHBondContact O-N 3.05Å; G44-K47 PolarHBondContact O-N 3.18Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 2.78Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 3.27Å; K47-C50 WeakPolarHBondContact O-CB 3.36Å; K47-C50 PolarHBondContact O-N 2.76Å; K47-I51 HydrophobicContact CG-CD1 4.23Å; K47-I51 WeakPolarHBondContact O-CG1 3.4Å; K47-I51 PolarHBondContact O-N 2.93Å; K47-I51 VanDerWaalsContact O-N 3.14Å |
| 48 | V | 92.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 179 | 174.9 | 0 | 0 | 0 | 0 | 111 | G44 I45 I51 K52 F129 P132 L136 | G44-V48 WeakPolarHBondContact O-CG2 3.32Å; G44-V48 PolarHBondContact O-N 3.46Å; I45-V48 PolarHBondContact O-N 2.98Å; V48-I51 PolarHBondContact O-N 3.49Å; V48-K52 HydrophobicContact CG1-CD 4.39Å; V48-K52 PolarHBondContact O-N 3Å; V48-K52 VanDerWaalsContact O-N 3.1Å; V48-F129 HydrophobicContact CG2-CD1 3.89Å; V48-F129 HydrophobicContact CG2-CE1 4.34Å; V48-P132 HydrophobicContact CG1-CB 4.46Å; V48-L136 HydrophobicContact CG1-CD2 3.75Å; V48-L136 HydrophobicContact CG1-CG 4.46Å |
| 49 | L | 93.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.2 | -74.3 | 169.6 | 0 | 0 | 0 | 112 | I45 Y46 K47 I51 K52 I53 L72 A76 W79 L136 | I45-L49 HydrophobicContact CG1-CD1 4.03Å; I45-L49 HydrophobicContact CG1-CG 4.41Å; I45-L49 WeakPolarHBondContact O-CB 3.22Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 3.25Å; Y46-L49 PolarHBondContact O-N 3.05Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 3.27Å; L49-I51 VanDerWaalsContact C-N 3.35Å; L49-I51 PolarHBondContact O-N 3.16Å; L49-K52 PolarHBondContact O-N 3.37Å; L49-I53 HydrophobicContact CB-CD1 4.42Å; L49-I53 WeakPolarHBondContact O-CB 3.4Å; L49-I53 VanDerWaalsContact O-CG1 3.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 2.86Å; L49-L72 HydrophobicContact CB-CD1 3.63Å; L49-A76 HydrophobicContact CD1-CB 4.03Å; L49-W79 HydrophobicContact CD1-CB 4.14Å; L49-W79 HydrophobicContact CD1-CG 4.02Å; L49-W79 VanDerWaalsContact CD2-CD1 3.46Å; L49-W79 HydrophobicContact CD2-CG 4.22Å; L49-L136 HydrophobicContact CD2-CD1 3.57Å; L49-L136 HydrophobicContact CG-CD1 4.29Å |
| 50 | C | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | Y46 K47 K52 I53 F54 C59 L72 | Y46-C50 WeakPolarHBondContact O-CB 3.41Å; Y46-C50 PolarHBondContact O-N 3.4Å; K47-C50 WeakPolarHBondContact O-CB 3.36Å; K47-C50 PolarHBondContact O-N 2.76Å; C50-K52 VanDerWaalsContact C-N 3.3Å; C50-K52 PolarHBondContact O-N 3.28Å; C50-I53 PolarHBondContact O-N 2.71Å; C50-F54 PolarHBondContact O-N 2.84Å; C50-C59 HydrophobicContact CB-CB 3.94Å; C50-C59 WeakPolarHBondContact CB-SG 3.33Å; C50-C59 WeakPolarHBondContact SG-CA 3.49Å; C50-C59 WeakPolarHBondContact SG-CB 3.26Å; C50-C59 CovalentContact SG-SG 2.03Å; C50-C59 PolarHBondContact SG-SG 3.31Å; C50-L72 HydrophobicContact CB-CD1 4.14Å; C50-L72 HydrophobicContact CB-CD2 3.61Å |
| 51 | I | 91.7 | Very high | 90.5 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 179.8 | -65.8 | 166.4 | 0 | 0 | 0 | 111.5 | K47 V48 L49 | K47-I51 HydrophobicContact CG-CD1 4.23Å; K47-I51 WeakPolarHBondContact O-CG1 3.4Å; K47-I51 PolarHBondContact O-N 2.93Å; K47-I51 VanDerWaalsContact O-N 3.14Å; V48-I51 PolarHBondContact O-N 3.49Å; L49-I51 VanDerWaalsContact C-N 3.35Å; L49-I51 PolarHBondContact O-N 3.16Å |
| 52 | K | 92.4 | Very high | 90.2 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.1 | -38 | 179.7 | -75.6 | -175.8 | -173.7 | -82 | 0 | 113.2 | V48 L49 C50 P132 L134 L136 | V48-K52 HydrophobicContact CG1-CD 4.39Å; V48-K52 PolarHBondContact O-N 3Å; V48-K52 VanDerWaalsContact O-N 3.1Å; L49-K52 PolarHBondContact O-N 3.37Å; C50-K52 VanDerWaalsContact C-N 3.3Å; C50-K52 PolarHBondContact O-N 3.28Å; K52-P132 WeakPolarHBondContact CE-O 2.9Å; K52-P132 PolarHBondContact NZ-O 2.96Å; K52-L134 PolarHBondContact NZ-O 3.31Å; K52-L136 HydrophobicContact CD-CD1 4.15Å; K52-L136 HydrophobicContact CD-CG 4.39Å |
| 53 | I | 93.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 32% | 0.323 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -79.4 | -38.3 | -178 | -63.9 | 169.6 | 0 | 0 | 0 | 110.8 | L49 C50 P55 V71 L72 A75 | L49-I53 HydrophobicContact CB-CD1 4.42Å; L49-I53 WeakPolarHBondContact O-CB 3.4Å; L49-I53 VanDerWaalsContact O-CG1 3.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 2.86Å; C50-I53 PolarHBondContact O-N 2.71Å; I53-P55 WeakPolarHBondContact O-CD 3.42Å; I53-V71 HydrophobicContact CG2-CG1 4.27Å; I53-L72 HydrophobicContact CD1-CD1 4.13Å; I53-A75 HydrophobicContact CD1-CB 3.72Å |
| 54 | F | 93.8 | Very high | 89.6 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 18% | 0.18 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -123.4 | 71.9 | -176 | -54.4 | -67.9 | 0 | 0 | 0 | 110.8 | C50 G56 R57 L62 A68 V71 L72 | C50-F54 PolarHBondContact O-N 2.84Å; F54-G56 PolarHBondContact O-N 3.38Å; F54-R57 HydrophobicContact CB-CB 3.94Å; F54-R57 PolarHBondContact O-N 2.89Å; F54-L62 HydrophobicContact CD2-CD1 4.32Å; F54-L62 HydrophobicContact CE2-CD1 4.34Å; F54-A68 HydrophobicContact CE1-CB 4.06Å; F54-A68 HydrophobicContact CE2-CB 4.21Å; F54-A68 HydrophobicContact CZ-CB 3.71Å; F54-V71 HydrophobicContact CZ-CB 4.29Å; F54-V71 HydrophobicContact CZ-CG1 4.26Å; F54-L72 HydrophobicContact CE2-CB 4.37Å |
| 55 | P | 90.4 | Very high | 89.6 | Confident | 107 Ų | 107 | 59.3 Ų | 59.3 | 70% | 0.695 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 131.7 | -179.2 | 24.8 | -33.4 | 0 | 0 | 0 | 111.1 | I53 R57 | I53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-R57 VanDerWaalsContact C-N 3.31Å; P55-R57 PolarHBondContact O-N 3.5Å |
| 56 | G | 85.7 | Confident | 89.5 | Confident | 94 Ų | 94 | 61.8 Ų | 61.8 | 97% | 0.969 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | F54 | F54-G56 PolarHBondContact O-N 3.38Š|
| 57 | R | 87.1 | Confident | 89.4 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | trans | -88.4 | 142.2 | 177.4 | -160.5 | 172.5 | -167 | 176.5 | 4.8 | 111.4 | F54 P55 C59 D65 A68 | F54-R57 HydrophobicContact CB-CB 3.94Å; F54-R57 PolarHBondContact O-N 2.89Å; P55-R57 VanDerWaalsContact C-N 3.31Å; P55-R57 PolarHBondContact O-N 3.5Å; R57-C59 PolarHBondContact O-N 3.49Å; R57-D65 IonicContact CZ-OD2 2.74Å; R57-D65 IonicContact NH1-OD2 3.69Å; R57-D65 PolarHBondContact NH1-OD2 2.88Å; R57-D65 IonicContact NH2-OD2 2.77Å; R57-D65 PolarHBondContact NH2-OD2 3.44Å; R57-A68 VanDerWaalsContact NH1-CB 3.33Å | ||
| 58 | D | 86.9 | Confident | 89.5 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | trans | -76.3 | 110.2 | 171.5 | -172.9 | -8.4 | 0 | 0 | 0 | 110.7 | T60 S61 | D58-T60 PolarHBondContact O-N 3.2Å; D58-T60 VanDerWaalsContact O-N 3.16Å; D58-T60 WeakPolarHBondContact OD1-CB 3.3Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.44Å; D58-T60 PolarHBondContact OD1-N 3.18Å; D58-T60 PolarHBondContact OD1-OG1 2.93Å; D58-T60 PolarHBondContact OD2-OG1 3.47Å; D58-S61 PolarHBondContact O-N 3.4Å; D58-S61 PolarHBondContact O-OG 2.84Å | ||
| 59 | C | 85 | Confident | 89.5 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -61.2 | -19.5 | 179.3 | -63.3 | 0 | 0 | 0 | 0 | 114.2 | C50 R57 S61 | C50-C59 HydrophobicContact CB-CB 3.94Å; C50-C59 WeakPolarHBondContact CB-SG 3.33Å; C50-C59 WeakPolarHBondContact SG-CA 3.49Å; C50-C59 WeakPolarHBondContact SG-CB 3.26Å; C50-C59 CovalentContact SG-SG 2.03Å; C50-C59 PolarHBondContact SG-SG 3.31Å; R57-C59 PolarHBondContact O-N 3.49Å; C59-S61 VanDerWaalsContact C-N 3.31Å |
| 60 | T | 83.2 | Confident | 89.4 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 69% | 0.693 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -72.7 | -27.2 | 175.6 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | D58 L62 | D58-T60 PolarHBondContact O-N 3.2Å; D58-T60 VanDerWaalsContact O-N 3.16Å; D58-T60 WeakPolarHBondContact OD1-CB 3.3Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.44Å; D58-T60 PolarHBondContact OD1-N 3.18Å; D58-T60 PolarHBondContact OD1-OG1 2.93Å; D58-T60 PolarHBondContact OD2-OG1 3.47Å; T60-L62 VanDerWaalsContact C-N 3.34Å |
| 61 | S | 84.7 | Confident | 89.5 | Confident | 45 Ų | 45 | 62 Ų | 62 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -87.7 | -0.5 | -179.2 | 71.8 | 0 | 0 | 0 | 0 | 114 | D58 C59 S63 N64 | D58-S61 PolarHBondContact O-N 3.4Å; D58-S61 PolarHBondContact O-OG 2.84Å; C59-S61 VanDerWaalsContact C-N 3.31Å; S61-S63 PolarHBondContact O-N 3.42Å; S61-N64 WeakPolarHBondContact O-CB 3.43Å; S61-N64 PolarHBondContact O-N 3.42Å |
| 62 | L | 86.3 | Confident | 89.6 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -64.4 | -24.8 | -172.3 | -160.5 | 71.7 | 0 | 0 | 0 | 113.1 | F54 T60 N64 D65 A68 E69 L72 | F54-L62 HydrophobicContact CD2-CD1 4.32Å; F54-L62 HydrophobicContact CE2-CD1 4.34Å; T60-L62 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 3.35Å; L62-N64 VanDerWaalsContact O-N 3.16Å; L62-D65 CarbonylContact O-C 3.22Å; L62-D65 PolarHBondContact O-N 3.3Å; L62-D65 VanDerWaalsContact O-O 3.12Å; L62-A68 HydrophobicContact CD1-CB 3.65Å; L62-A68 HydrophobicContact CG-CB 4.47Å; L62-E69 HydrophobicContact CD2-CB 4.36Å; L62-E69 HydrophobicContact CG-CB 4.24Å; L62-L72 HydrophobicContact CD2-CB 3.97Å; L62-L72 HydrophobicContact CD2-CD2 3.32Å; L62-L72 HydrophobicContact CD2-CG 4.29Å |
| 63 | S | 83.4 | Confident | 89.7 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -60.5 | -22.8 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | S61 D65 R348 | S61-S63 PolarHBondContact O-N 3.42Å; S63-D65 VanDerWaalsContact C-N 3.26Å; S63-D65 PolarHBondContact O-N 3.28Å; S63-R348 WeakPolarHBondContact O-CD 3.13Å; S63-R348 PolarHBondContact O-NH1 3.41Å |
| 64 | N | 87.7 | Confident | 89.6 | Confident | 135 Ų | 135 | 54.8 Ų | 54.8 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -76.3 | -15.4 | 176 | -63.7 | -26.3 | 0 | 0 | 0 | 112.7 | S61 L62 P66 | S61-N64 WeakPolarHBondContact O-CB 3.43Å; S61-N64 PolarHBondContact O-N 3.42Å; L62-N64 PolarHBondContact O-N 3.35Å; L62-N64 VanDerWaalsContact O-N 3.16Å; N64-P66 WeakPolarHBondContact O-CD 3.18Å |
| 65 | D | 91.6 | Very high | 89.6 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | trans | -117.7 | 92.7 | 179.6 | -175.1 | -13 | 0 | 0 | 0 | 110.8 | R57 L62 S63 A67 A68 E69 | R57-D65 IonicContact CZ-OD2 2.74Å; R57-D65 IonicContact NH1-OD2 3.69Å; R57-D65 PolarHBondContact NH1-OD2 2.88Å; R57-D65 IonicContact NH2-OD2 2.77Å; R57-D65 PolarHBondContact NH2-OD2 3.44Å; L62-D65 CarbonylContact O-C 3.22Å; L62-D65 PolarHBondContact O-N 3.3Å; L62-D65 VanDerWaalsContact O-O 3.12Å; S63-D65 VanDerWaalsContact C-N 3.26Å; S63-D65 PolarHBondContact O-N 3.28Å; D65-A67 VanDerWaalsContact C-N 3.26Å; D65-A67 PolarHBondContact O-N 2.97Å; D65-A67 PolarHBondContact OD1-N 2.9Å; D65-A68 HydrophobicContact CB-CB 4.08Å; D65-A68 VanDerWaalsContact CG-CB 3.48Å; D65-A68 PolarHBondContact O-N 3.28Å; D65-A68 PolarHBondContact OD1-N 3.11Å; D65-A68 WeakPolarHBondContact OD2-CB 3.48Å; D65-E69 PolarHBondContact O-N 3.42Å | ||
| 66 | P | 90.6 | Very high | 89.8 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.1 | -38.6 | -177.7 | -5.6 | 3.5 | 0 | 0 | 0 | 113.8 | N64 D70 | N64-P66 WeakPolarHBondContact O-CD 3.18Å; P66-D70 WeakPolarHBondContact O-CB 3.39Å; P66-D70 PolarHBondContact O-N 3.19Å |
| 67 | A | 92.1 | Very high | 90.1 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D65 D70 V71 | D65-A67 VanDerWaalsContact C-N 3.26Å; D65-A67 PolarHBondContact O-N 2.97Å; D65-A67 PolarHBondContact OD1-N 2.9Å; A67-D70 PolarHBondContact O-N 2.91Å; A67-V71 WeakPolarHBondContact O-CG2 3.41Å; A67-V71 PolarHBondContact O-N 3.37Å |
| 68 | A | 93 | Very high | 90.3 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.9 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F54 R57 L62 D65 V71 L72 | F54-A68 HydrophobicContact CE1-CB 4.06Å; F54-A68 HydrophobicContact CE2-CB 4.21Å; F54-A68 HydrophobicContact CZ-CB 3.71Å; R57-A68 VanDerWaalsContact NH1-CB 3.33Å; L62-A68 HydrophobicContact CD1-CB 3.65Å; L62-A68 HydrophobicContact CG-CB 4.47Å; D65-A68 HydrophobicContact CB-CB 4.08Å; D65-A68 VanDerWaalsContact CG-CB 3.48Å; D65-A68 PolarHBondContact O-N 3.28Å; D65-A68 PolarHBondContact OD1-N 3.11Å; D65-A68 WeakPolarHBondContact OD2-CB 3.48Å; A68-V71 PolarHBondContact O-N 3.11Å; A68-L72 PolarHBondContact O-N 3.11Å; A68-L72 VanDerWaalsContact O-N 3.09Å |
| 69 | E | 92.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 173.9 | -166.5 | -167.2 | -149 | 0 | 0 | 111.7 | L62 D65 V71 L72 Q73 R347 R348 | L62-E69 HydrophobicContact CD2-CB 4.36Å; L62-E69 HydrophobicContact CG-CB 4.24Å; D65-E69 PolarHBondContact O-N 3.42Å; E69-V71 VanDerWaalsContact C-N 3.35Å; E69-V71 PolarHBondContact O-N 2.97Å; E69-L72 PolarHBondContact O-N 3.1Å; E69-Q73 HydrophobicContact CG-CG 4.24Å; E69-Q73 WeakPolarHBondContact O-CB 3.25Å; E69-Q73 VanDerWaalsContact O-CG 3.22Å; E69-Q73 WeakPolarHBondContact O-CG 3.39Å; E69-Q73 PolarHBondContact O-N 3.06Å; E69-R347 WeakPolarHBondContact OE1-CA 3.44Å; E69-R347 WeakPolarHBondContact OE1-CG 3.46Å; E69-R347 IonicContact OE2-NE 3.54Å; E69-R348 VanDerWaalsContact CD-CG 3.42Å; E69-R348 WeakPolarHBondContact OE1-CG 2.97Å; E69-R348 PolarHBondContact OE1-N 3.3Å; E69-R348 WeakPolarHBondContact OE2-CD 2.8Å; E69-R348 WeakPolarHBondContact OE2-CG 2.9Å; E69-R348 IonicContact OE2-NE 2.69Å |
| 70 | D | 92.5 | Very high | 90.8 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.9 | -86.5 | -24.4 | 0 | 0 | 0 | 112.3 | P66 A67 L72 Q73 K74 R347 | P66-D70 WeakPolarHBondContact O-CB 3.39Å; P66-D70 PolarHBondContact O-N 3.19Å; A67-D70 PolarHBondContact O-N 2.91Å; D70-L72 VanDerWaalsContact C-N 3.34Å; D70-L72 PolarHBondContact O-N 2.91Å; D70-Q73 PolarHBondContact O-N 3.39Å; D70-K74 WeakPolarHBondContact O-CB 3.41Å; D70-K74 VanDerWaalsContact O-CG 3.28Å; D70-K74 WeakPolarHBondContact O-CG 3.38Å; D70-K74 PolarHBondContact O-N 2.92Å; D70-R347 IonicContact OD1-CZ 2.66Å; D70-R347 IonicContact OD1-NE 3.1Å; D70-R347 IonicContact OD1-NH1 3.66Å; D70-R347 IonicContact OD1-NH2 3.31Å; D70-R347 PolarHBondContact OD1-NH2 2.86Å; D70-R347 IonicContact OD2-NH2 2.95Å |
| 71 | V | 94.3 | Very high | 91 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | I53 F54 A67 A68 E69 K74 A75 | I53-V71 HydrophobicContact CG2-CG1 4.27Å; F54-V71 HydrophobicContact CZ-CB 4.29Å; F54-V71 HydrophobicContact CZ-CG1 4.26Å; A67-V71 WeakPolarHBondContact O-CG2 3.41Å; A67-V71 PolarHBondContact O-N 3.37Å; A68-V71 PolarHBondContact O-N 3.11Å; E69-V71 VanDerWaalsContact C-N 3.35Å; E69-V71 PolarHBondContact O-N 2.97Å; V71-K74 PolarHBondContact O-N 3.44Å; V71-A75 WeakPolarHBondContact O-CB 3.35Å; V71-A75 PolarHBondContact O-N 2.85Å |
| 72 | L | 94.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 179.2 | -177.7 | 59.2 | 0 | 0 | 0 | 112.3 | Y46 L49 C50 I53 F54 L62 A68 E69 D70 A75 A76 | Y46-L72 HydrophobicContact CD1-CD2 3.9Å; Y46-L72 HydrophobicContact CD2-CD2 4.42Å; Y46-L72 HydrophobicContact CD2-CG 4.24Å; Y46-L72 HydrophobicContact CE1-CD2 3.33Å; Y46-L72 HydrophobicContact CE1-CG 4.13Å; Y46-L72 HydrophobicContact CE2-CD2 3.92Å; Y46-L72 HydrophobicContact CE2-CG 3.77Å; Y46-L72 HydrophobicContact CG-CD2 4.41Å; L49-L72 HydrophobicContact CB-CD1 3.63Å; C50-L72 HydrophobicContact CB-CD1 4.14Å; C50-L72 HydrophobicContact CB-CD2 3.61Å; I53-L72 HydrophobicContact CD1-CD1 4.13Å; F54-L72 HydrophobicContact CE2-CB 4.37Å; L62-L72 HydrophobicContact CD2-CB 3.97Å; L62-L72 HydrophobicContact CD2-CD2 3.32Å; L62-L72 HydrophobicContact CD2-CG 4.29Å; A68-L72 PolarHBondContact O-N 3.11Å; A68-L72 VanDerWaalsContact O-N 3.09Å; E69-L72 PolarHBondContact O-N 3.1Å; D70-L72 VanDerWaalsContact C-N 3.34Å; D70-L72 PolarHBondContact O-N 2.91Å; L72-A75 PolarHBondContact O-N 3.35Å; L72-A76 VanDerWaalsContact O-CB 3.31Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 3.31Å |
| 73 | Q | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.2 | -76.3 | -82.7 | -14.3 | 0 | 0 | 111.5 | Y46 E69 D70 A76 S77 L343 R347 Y470 V474 | Y46-Q73 HydrophobicContact CE2-CG 4.36Å; E69-Q73 HydrophobicContact CG-CG 4.24Å; E69-Q73 WeakPolarHBondContact O-CB 3.25Å; E69-Q73 VanDerWaalsContact O-CG 3.22Å; E69-Q73 WeakPolarHBondContact O-CG 3.39Å; E69-Q73 PolarHBondContact O-N 3.06Å; D70-Q73 PolarHBondContact O-N 3.39Å; Q73-A76 PolarHBondContact O-N 2.82Å; Q73-S77 WeakPolarHBondContact O-CB 3.33Å; Q73-S77 PolarHBondContact O-N 2.86Å; Q73-S77 PolarHBondContact O-OG 3.23Å; Q73-L343 PolarHBondContact NE2-O 2.9Å; Q73-L343 PolarHBondContact OE1-O 3.16Å; Q73-R347 HydrophobicContact CG-CG 4.48Å; Q73-Y470 PolarHBondContact OE1-OH 3.12Å; Q73-V474 HydrophobicContact CB-CG2 4.02Å |
| 74 | K | 93.2 | Very high | 91.8 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 32% | 0.317 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 174 | -72.5 | 179.3 | -174.5 | -176.9 | 0 | 111 | D70 V71 A76 S77 L78 S471 V474 S475 | D70-K74 WeakPolarHBondContact O-CB 3.41Å; D70-K74 VanDerWaalsContact O-CG 3.28Å; D70-K74 WeakPolarHBondContact O-CG 3.38Å; D70-K74 PolarHBondContact O-N 2.92Å; V71-K74 PolarHBondContact O-N 3.44Å; K74-A76 PolarHBondContact O-N 2.91Å; K74-S77 PolarHBondContact O-N 2.84Å; K74-S77 PolarHBondContact O-OG 2.93Å; K74-L78 PolarHBondContact O-N 3.27Å; K74-L78 VanDerWaalsContact O-N 3.1Å; K74-S471 VanDerWaalsContact CE-O 3.24Å; K74-S471 WeakPolarHBondContact CE-O 3.31Å; K74-V474 HydrophobicContact CD-CG1 4.24Å; K74-V474 HydrophobicContact CG-CG1 3.57Å; K74-S475 PolarHBondContact NZ-OG 3.33Å |
| 75 | A | 93.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I53 V71 L72 S77 L78 W79 | I53-A75 HydrophobicContact CD1-CB 3.72Å; V71-A75 WeakPolarHBondContact O-CB 3.35Å; V71-A75 PolarHBondContact O-N 2.85Å; L72-A75 PolarHBondContact O-N 3.35Å; A75-S77 PolarHBondContact O-N 3.44Å; A75-L78 PolarHBondContact O-N 3.47Å; A75-W79 VanDerWaalsContact O-CD1 3.25Å; A75-W79 PolarHBondContact O-N 3.36Å |
| 76 | A | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y46 L49 L72 Q73 K74 L78 W79 S80 L343 | Y46-A76 HydrophobicContact CD2-CB 3.7Å; Y46-A76 HydrophobicContact CE2-CB 4.29Å; L49-A76 HydrophobicContact CD1-CB 4.03Å; L72-A76 VanDerWaalsContact O-CB 3.31Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 3.31Å; Q73-A76 PolarHBondContact O-N 2.82Å; K74-A76 PolarHBondContact O-N 2.91Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 2.71Å; A76-W79 PolarHBondContact O-N 2.97Å; A76-S80 PolarHBondContact O-N 3.49Å; A76-S80 PolarHBondContact O-OG 3.47Å; A76-L343 HydrophobicContact CB-CD2 3.64Å |
| 77 | S | 91.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 174.8 | 75 | 0 | 0 | 0 | 0 | 112.6 | Q73 K74 A75 S80 Q81 S471 | Q73-S77 WeakPolarHBondContact O-CB 3.33Å; Q73-S77 PolarHBondContact O-N 2.86Å; Q73-S77 PolarHBondContact O-OG 3.23Å; K74-S77 PolarHBondContact O-N 2.84Å; K74-S77 PolarHBondContact O-OG 2.93Å; A75-S77 PolarHBondContact O-N 3.44Å; S77-S80 PolarHBondContact O-N 2.92Å; S77-Q81 VanDerWaalsContact O-CG 3.27Å; S77-Q81 WeakPolarHBondContact O-CG 3.35Å; S77-Q81 PolarHBondContact O-N 3.37Å; S77-Q81 VanDerWaalsContact O-N 3.07Å; S77-Q81 PolarHBondContact O-NE2 3.06Å; S77-Q81 VanDerWaalsContact O-NE2 3.13Å; S77-S471 WeakPolarHBondContact OG-CB 3.5Å |
| 78 | L | 92.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 27.9 Ų | 27.9 | 47% | 0.466 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -70.1 | -38.4 | 177.6 | -175 | 141.4 | 0 | 0 | 0 | 111.8 | K74 A75 A76 Q81 L82 | K74-L78 PolarHBondContact O-N 3.27Å; K74-L78 VanDerWaalsContact O-N 3.1Å; A75-L78 PolarHBondContact O-N 3.47Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 2.71Å; L78-Q81 WeakPolarHBondContact O-CB 3.45Å; L78-Q81 PolarHBondContact O-N 3.49Å; L78-L82 HydrophobicContact CD2-CD1 3.55Å; L78-L82 HydrophobicContact CG-CD1 4.45Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.13Å |
| 79 | W | 92.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 28.6 Ų | 28.6 | 20% | 0.201 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.9 | -40 | 173.6 | -83.1 | 97.1 | 0 | 0 | 0 | 112.7 | I45 L49 A75 A76 Q81 L82 M83 L136 L140 | I45-W79 HydrophobicContact CG1-CB 4.32Å; L49-W79 HydrophobicContact CD1-CB 4.14Å; L49-W79 HydrophobicContact CD1-CG 4.02Å; L49-W79 VanDerWaalsContact CD2-CD1 3.46Å; L49-W79 HydrophobicContact CD2-CG 4.22Å; A75-W79 VanDerWaalsContact O-CD1 3.25Å; A75-W79 PolarHBondContact O-N 3.36Å; A76-W79 PolarHBondContact O-N 2.97Å; W79-Q81 VanDerWaalsContact C-N 3.27Å; W79-Q81 PolarHBondContact O-N 2.96Å; W79-L82 PolarHBondContact O-N 3.27Å; W79-M83 HydrophobicContact CB-CE 4.47Å; W79-M83 WeakPolarHBondContact O-CE 3.31Å; W79-M83 WeakPolarHBondContact O-CG 3.24Å; W79-M83 PolarHBondContact O-N 2.96Å; W79-L136 HydrophobicContact CD2-CD1 4.39Å; W79-L136 HydrophobicContact CE3-CB 4.35Å; W79-L136 HydrophobicContact CH2-CB 3.36Å; W79-L136 HydrophobicContact CH2-CD1 4.27Å; W79-L136 HydrophobicContact CH2-CG 4.46Å; W79-L136 HydrophobicContact CZ2-CB 3.83Å; W79-L136 HydrophobicContact CZ2-CD1 3.88Å; W79-L136 HydrophobicContact CZ3-CB 3.65Å; W79-L140 HydrophobicContact CE3-CD2 4.4Å; W79-L140 HydrophobicContact CH2-CD1 4.44Å; W79-L140 HydrophobicContact CZ3-CD1 3.85Å; W79-L140 HydrophobicContact CZ3-CD2 4.22Å; W79-L140 HydrophobicContact CZ3-CG 3.97Å |
| 80 | S | 89.1 | Confident | 91.2 | Very high | 7 Ų | 7 | 29 Ų | 29 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -39.1 | 172.5 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | Q42 A76 S77 A84 | Q42-S80 PolarHBondContact NE2-OG 3.35Å; Q42-S80 PolarHBondContact OE1-OG 3.14Å; A76-S80 PolarHBondContact O-N 3.49Å; A76-S80 PolarHBondContact O-OG 3.47Å; S77-S80 PolarHBondContact O-N 2.92Å; S80-A84 VanDerWaalsContact O-CB 3.26Å; S80-A84 WeakPolarHBondContact O-CB 3.39Å; S80-A84 PolarHBondContact O-N 3.44Å |
| 81 | Q | 88.7 | Confident | 91 | Very high | 25 Ų | 25 | 28 Ų | 28 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -51.3 | 174.3 | -73.9 | 170.4 | 74.7 | 0 | 0 | 112.7 | S77 L78 W79 M83 A84 A85 A463 I464 N467 S468 | S77-Q81 VanDerWaalsContact O-CG 3.27Å; S77-Q81 WeakPolarHBondContact O-CG 3.35Å; S77-Q81 PolarHBondContact O-N 3.37Å; S77-Q81 VanDerWaalsContact O-N 3.07Å; S77-Q81 PolarHBondContact O-NE2 3.06Å; S77-Q81 VanDerWaalsContact O-NE2 3.13Å; L78-Q81 WeakPolarHBondContact O-CB 3.45Å; L78-Q81 PolarHBondContact O-N 3.49Å; W79-Q81 VanDerWaalsContact C-N 3.27Å; W79-Q81 PolarHBondContact O-N 2.96Å; Q81-M83 VanDerWaalsContact C-N 3.32Å; Q81-M83 PolarHBondContact O-N 3.36Å; Q81-A84 PolarHBondContact O-N 3.42Å; Q81-A85 WeakPolarHBondContact O-CB 3.43Å; Q81-A85 PolarHBondContact O-N 3.28Å; Q81-A463 WeakPolarHBondContact CG-O 3.39Å; Q81-I464 PolarHBondContact OE1-O 3.24Å; Q81-N467 HydrophobicContact CG-CB 3.13Å; Q81-N467 PolarHBondContact NE2-O 3.49Å; Q81-S468 PolarHBondContact OE1-OG 3.14Å |
| 82 | L | 91.9 | Very high | 90.5 | Very high | 71 Ų | 71 | 26.4 Ų | 26.4 | 37% | 0.372 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.8 | -45.6 | -178.5 | -77.9 | 159.8 | 0 | 0 | 0 | 110.9 | L78 W79 A85 C86 L140 | L78-L82 HydrophobicContact CD2-CD1 3.55Å; L78-L82 HydrophobicContact CG-CD1 4.45Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.13Å; W79-L82 PolarHBondContact O-N 3.27Å; L82-A85 PolarHBondContact O-N 3.44Å; L82-C86 WeakPolarHBondContact O-CB 3.33Å; L82-C86 PolarHBondContact O-N 2.91Å; L82-C86 PolarHBondContact O-SG 3.17Å; L82-L140 HydrophobicContact CB-CD1 4.47Å; L82-L140 HydrophobicContact CB-CD2 3.74Å |
| 83 | M | 90.3 | Very high | 90 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 4% | 0.044 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.8 | -69.7 | -177 | -65.2 | 0 | 0 | 111.5 | M41 I45 W79 Q81 C86 Y87 L139 L140 | M41-M83 HydrophobicContact CE-CE 4.07Å; M41-M83 HydrophobicContact CE-SD 3.36Å; M41-M83 WeakPolarHBondContact CE-SD 3.34Å; I45-M83 HydrophobicContact CB-CE 4.4Å; I45-M83 HydrophobicContact CG1-CE 3.99Å; I45-M83 HydrophobicContact CG2-CE 4.29Å; W79-M83 HydrophobicContact CB-CE 4.47Å; W79-M83 WeakPolarHBondContact O-CE 3.31Å; W79-M83 WeakPolarHBondContact O-CG 3.24Å; W79-M83 PolarHBondContact O-N 2.96Å; Q81-M83 VanDerWaalsContact C-N 3.32Å; Q81-M83 PolarHBondContact O-N 3.36Å; M83-C86 PolarHBondContact O-N 2.91Å; M83-Y87 WeakPolarHBondContact O-CD1 3.37Å; M83-Y87 PolarHBondContact O-N 2.95Å; M83-L139 HydrophobicContact SD-CB 4.35Å; M83-L139 HydrophobicContact SD-CD1 4.24Å; M83-L140 HydrophobicContact CB-CD2 4.45Å; M83-L140 HydrophobicContact CG-CD2 3.7Å |
| 84 | A | 88.1 | Confident | 89.7 | Confident | 9 Ų | 9 | 32 Ų | 32 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | S80 Q81 C86 Y87 L88 A463 | S80-A84 VanDerWaalsContact O-CB 3.26Å; S80-A84 WeakPolarHBondContact O-CB 3.39Å; S80-A84 PolarHBondContact O-N 3.44Å; Q81-A84 PolarHBondContact O-N 3.42Å; A84-C86 VanDerWaalsContact C-N 3.3Å; A84-C86 PolarHBondContact O-N 3.28Å; A84-Y87 VanDerWaalsContact CA-CE1 3.4Å; A84-Y87 HydrophobicContact CB-CE1 4.13Å; A84-Y87 PolarHBondContact O-N 2.8Å; A84-L88 HydrophobicContact CB-CD1 4.32Å; A84-L88 WeakPolarHBondContact O-CB 3.36Å; A84-L88 WeakPolarHBondContact O-CG 3.27Å; A84-L88 PolarHBondContact O-N 3.5Å; A84-A463 HydrophobicContact CB-CB 3.55Å |
| 85 | A | 89.1 | Confident | 89.3 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.4 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q81 L82 G89 | Q81-A85 WeakPolarHBondContact O-CB 3.43Å; Q81-A85 PolarHBondContact O-N 3.28Å; L82-A85 PolarHBondContact O-N 3.44Å; A85-G89 PolarHBondContact O-N 2.98Å |
| 86 | C | 91.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 29.8 Ų | 29.8 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 178.5 | -74.3 | 0 | 0 | 0 | 0 | 113.1 | L82 M83 A84 P90 N143 L144 | L82-C86 WeakPolarHBondContact O-CB 3.33Å; L82-C86 PolarHBondContact O-N 2.91Å; L82-C86 PolarHBondContact O-SG 3.17Å; M83-C86 PolarHBondContact O-N 2.91Å; A84-C86 VanDerWaalsContact C-N 3.3Å; A84-C86 PolarHBondContact O-N 3.28Å; C86-P90 WeakPolarHBondContact O-CD 3.37Å; C86-P90 WeakPolarHBondContact O-CG 3.35Å; C86-N143 HydrophobicContact CB-CB 4.15Å; C86-L144 HydrophobicContact CB-CB 4.32Å; C86-L144 WeakPolarHBondContact O-CA 3.43Å |
| 87 | Y | 88.8 | Confident | 88.4 | Confident | 39 Ų | 39 | 32 Ų | 32 | 15% | 0.153 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -88.6 | -38.9 | 178.2 | 75.6 | -102.8 | 0 | 0 | 0 | 113.3 | M83 A84 A91 N143 G147 F151 | M83-Y87 WeakPolarHBondContact O-CD1 3.37Å; M83-Y87 PolarHBondContact O-N 2.95Å; A84-Y87 VanDerWaalsContact CA-CE1 3.4Å; A84-Y87 HydrophobicContact CB-CE1 4.13Å; A84-Y87 PolarHBondContact O-N 2.8Å; Y87-A91 WeakPolarHBondContact O-CB 3.42Å; Y87-A91 PolarHBondContact O-N 2.9Å; Y87-A91 VanDerWaalsContact O-N 3.15Å; Y87-N143 WeakPolarHBondContact CA-O 3.45Å; Y87-N143 WeakPolarHBondContact CB-O 3.48Å; Y87-G147 WeakPolarHBondContact O-CA 3.31Å; Y87-F151 AromaticContact CD2-CD1 3.69Å; Y87-F151 HydrophobicContact CD2-CD1 3.69Å; Y87-F151 HydrophobicContact CD2-CE1 4Å; Y87-F151 HydrophobicContact CD2-CG 4.13Å; Y87-F151 AromaticContact CE2-CD1 3.95Å; Y87-F151 HydrophobicContact CE2-CD1 3.95Å; Y87-F151 AromaticContact CE2-CE1 3.99Å; Y87-F151 HydrophobicContact CE2-CE1 3.99Å; Y87-F151 HydrophobicContact CG-CD1 4.41Å |
| 88 | L | 87 | Confident | 88.2 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.9 | -39.1 | -177.2 | -70.7 | 171.8 | 0 | 0 | 0 | 112.9 | A84 A91 L92 H459 L460 | A84-L88 HydrophobicContact CB-CD1 4.32Å; A84-L88 WeakPolarHBondContact O-CB 3.36Å; A84-L88 WeakPolarHBondContact O-CG 3.27Å; A84-L88 PolarHBondContact O-N 3.5Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-L92 PolarHBondContact O-N 3.07Å; L88-H459 WeakPolarHBondContact CD1-O 3.38Å; L88-L460 HydrophobicContact CB-CB 4.42Å; L88-L460 HydrophobicContact CB-CD1 3.77Å |
| 89 | G | 88.1 | Confident | 87.7 | Confident | 22 Ų | 22 | 29.6 Ų | 29.6 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -57.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A85 A91 L92 | A85-G89 PolarHBondContact O-N 2.98Å; G89-A91 VanDerWaalsContact C-N 3.35Å; G89-A91 PolarHBondContact O-N 3.11Å; G89-L92 PolarHBondContact O-N 3.24Å |
| 90 | P | 90.7 | Very high | 87.1 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | 175.2 | -19.9 | 32.3 | 0 | 0 | 0 | 113.3 | C86 L92 I93 S94 L144 G147 F148 | C86-P90 WeakPolarHBondContact O-CD 3.37Å; C86-P90 WeakPolarHBondContact O-CG 3.35Å; P90-L92 VanDerWaalsContact C-N 3.31Å; P90-L92 PolarHBondContact O-N 3.47Å; P90-I93 PolarHBondContact O-N 2.92Å; P90-S94 WeakPolarHBondContact O-CB 3.48Å; P90-S94 PolarHBondContact O-N 3.36Å; P90-L144 HydrophobicContact CG-CD1 3.6Å; P90-L144 HydrophobicContact CG-CG 4.44Å; P90-G147 CarbonylContact C-O 3.54Å; P90-F148 HydrophobicContact CB-CD1 3.92Å; P90-F148 HydrophobicContact CB-CD2 3.92Å; P90-F148 HydrophobicContact CB-CE1 3.97Å; P90-F148 HydrophobicContact CB-CE2 3.96Å; P90-F148 HydrophobicContact CB-CG 3.9Å; P90-F148 HydrophobicContact CB-CZ 3.99Å; P90-F148 HydrophobicContact CG-CD2 4.35Å; P90-F148 HydrophobicContact CG-CE2 4.11Å; P90-F148 HydrophobicContact CG-CZ 4.33Å |
| 91 | A | 89.2 | Confident | 87 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y87 L88 G89 I93 S94 D95 G147 | Y87-A91 WeakPolarHBondContact O-CB 3.42Å; Y87-A91 PolarHBondContact O-N 2.9Å; Y87-A91 VanDerWaalsContact O-N 3.15Å; L88-A91 PolarHBondContact O-N 3.43Å; G89-A91 VanDerWaalsContact C-N 3.35Å; G89-A91 PolarHBondContact O-N 3.11Å; A91-I93 VanDerWaalsContact C-N 3.28Å; A91-I93 PolarHBondContact O-N 3.48Å; A91-S94 PolarHBondContact O-N 3.29Å; A91-D95 WeakPolarHBondContact O-CB 3.42Å; A91-D95 PolarHBondContact O-N 2.92Å; A91-G147 WeakPolarHBondContact CA-O 3.38Å; A91-G147 PolarHBondContact N-O 3.45Å |
| 92 | L | 83.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 28.3 Ų | 28.3 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.7 | -42.9 | 176.1 | 178.6 | 67.7 | 0 | 0 | 0 | 112.3 | L88 G89 P90 T96 N456 V457 | L88-L92 PolarHBondContact O-N 3.07Å; G89-L92 PolarHBondContact O-N 3.24Å; P90-L92 VanDerWaalsContact C-N 3.31Å; P90-L92 PolarHBondContact O-N 3.47Å; L92-T96 PolarHBondContact O-OG1 3.47Å; L92-T96 VanDerWaalsContact O-OG1 3.11Å; L92-N456 HydrophobicContact CD1-CB 3.36Å; L92-V457 HydrophobicContact CD1-CG2 4Å; L92-V457 HydrophobicContact CD2-CG2 3.91Å |
| 93 | I | 84.7 | Confident | 86.3 | Confident | 109 Ų | 109 | 28.8 Ų | 28.8 | 56% | 0.559 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -74.4 | -46.3 | 178.6 | -57.8 | 174.7 | 0 | 0 | 0 | 109.6 | P90 A91 T96 L97 | P90-I93 PolarHBondContact O-N 2.92Å; A91-I93 VanDerWaalsContact C-N 3.28Å; A91-I93 PolarHBondContact O-N 3.48Å; I93-T96 PolarHBondContact O-N 3Å; I93-L97 HydrophobicContact CG2-CD1 3.99Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.03Å |
| 94 | S | 87.4 | Confident | 86 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | -177.4 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | P90 A91 T96 L97 M98 F148 | P90-S94 WeakPolarHBondContact O-CB 3.48Å; P90-S94 PolarHBondContact O-N 3.36Å; A91-S94 PolarHBondContact O-N 3.29Å; S94-T96 VanDerWaalsContact C-N 3.26Å; S94-T96 PolarHBondContact O-N 3.49Å; S94-L97 PolarHBondContact O-N 3.38Å; S94-L97 VanDerWaalsContact O-N 3.15Å; S94-M98 VanDerWaalsContact O-CB 3.28Å; S94-M98 WeakPolarHBondContact O-CB 3.38Å; S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.38Å; S94-M98 WeakPolarHBondContact OG-CE 3.42Å; S94-F148 VanDerWaalsContact CB-O 3.31Å; S94-F148 WeakPolarHBondContact CB-O 3.47Å; S94-F148 PolarHBondContact OG-O 2.76Å |
| 95 | D | 84.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -40.2 | -179.7 | -75.1 | -16.7 | 0 | 0 | 0 | 111.8 | A91 G99 G150 S153 I154 | A91-D95 WeakPolarHBondContact O-CB 3.42Å; A91-D95 PolarHBondContact O-N 2.92Å; D95-G99 PolarHBondContact O-N 3.41Å; D95-G150 VanDerWaalsContact OD1-CA 3.27Å; D95-G150 WeakPolarHBondContact OD1-CA 3.44Å; D95-S153 WeakPolarHBondContact OD2-CB 3.47Å; D95-I154 PolarHBondContact OD1-N 2.8Å |
| 96 | T | 82.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 32.7 Ų | 32.7 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69 | -44.2 | 179.6 | -52.1 | 0 | 0 | 0 | 0 | 111 | L92 I93 S94 A100 V296 | L92-T96 PolarHBondContact O-OG1 3.47Å; L92-T96 VanDerWaalsContact O-OG1 3.11Å; I93-T96 PolarHBondContact O-N 3Å; S94-T96 VanDerWaalsContact C-N 3.26Å; S94-T96 PolarHBondContact O-N 3.49Å; T96-A100 PolarHBondContact O-N 2.93Å; T96-V296 HydrophobicContact CG2-CB 4.42Å; T96-V296 HydrophobicContact CG2-CG1 3.58Å; T96-V296 HydrophobicContact CG2-CG2 3.98Å |
| 97 | L | 85.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 32.5 Ų | 32.5 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 178.4 | -67.4 | 173.3 | 0 | 0 | 0 | 111.9 | I93 S94 A100 L101 I292 V296 | I93-L97 HydrophobicContact CG2-CD1 3.99Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.03Å; S94-L97 PolarHBondContact O-N 3.38Å; S94-L97 VanDerWaalsContact O-N 3.15Å; L97-A100 PolarHBondContact O-N 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 3.32Å; L97-I292 HydrophobicContact CD2-CG2 3.91Å; L97-V296 HydrophobicContact CD2-CG2 4.26Å |
| 98 | M | 86.1 | Confident | 86 | Confident | 23 Ų | 23 | 32.4 Ų | 32.4 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.1 | -39.8 | 178.6 | -70.8 | -166.2 | 173.2 | 0 | 0 | 111.1 | S94 A100 L101 G102 N110 I113 I154 | S94-M98 VanDerWaalsContact O-CB 3.28Å; S94-M98 WeakPolarHBondContact O-CB 3.38Å; S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.38Å; S94-M98 WeakPolarHBondContact OG-CE 3.42Å; M98-A100 VanDerWaalsContact C-N 3.32Å; M98-A100 PolarHBondContact O-N 3.46Å; M98-L101 WeakPolarHBondContact O-CB 3.32Å; M98-L101 PolarHBondContact O-N 3.41Å; M98-L101 VanDerWaalsContact O-N 3.17Å; M98-G102 PolarHBondContact O-N 3.2Å; M98-N110 PolarHBondContact O-ND2 3.1Å; M98-N110 PolarHBondContact O-OD1 3.34Å; M98-I113 HydrophobicContact CE-CB 4.45Å; M98-I113 HydrophobicContact CE-CD1 4.45Å; M98-I113 HydrophobicContact CE-CG2 3.49Å; M98-I113 VanDerWaalsContact CE-CG2 3.49Å; M98-I113 HydrophobicContact SD-CG2 4.08Å; M98-I154 HydrophobicContact CB-CD1 3.49Å; M98-I154 VanDerWaalsContact CB-CD1 3.49Å; M98-I154 HydrophobicContact CB-CG1 3.87Å; M98-I154 HydrophobicContact SD-CG1 4.1Å |
| 99 | G | 81.7 | Confident | 86.2 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.2 | -51.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D95 L101 G102 D103 | D95-G99 PolarHBondContact O-N 3.41Å; G99-L101 PolarHBondContact O-N 3.48Å; G99-G102 PolarHBondContact O-N 3.29Å; G99-G102 VanDerWaalsContact O-N 3.15Å; G99-D103 PolarHBondContact O-N 3.15Å; G99-D103 VanDerWaalsContact O-N 3.14Å |
| 100 | A | 81.3 | Confident | 86.5 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T96 L97 M98 G102 D103 I104 I292 L295 V296 | T96-A100 PolarHBondContact O-N 2.93Å; L97-A100 PolarHBondContact O-N 3.32Å; M98-A100 VanDerWaalsContact C-N 3.32Å; M98-A100 PolarHBondContact O-N 3.46Å; A100-G102 VanDerWaalsContact C-N 3.29Å; A100-G102 PolarHBondContact O-N 2.96Å; A100-D103 PolarHBondContact O-N 3.25Å; A100-I104 PolarHBondContact O-N 3.46Å; A100-I292 HydrophobicContact CB-CG2 4.16Å; A100-L295 HydrophobicContact CB-CD2 4.02Å; A100-V296 HydrophobicContact CB-CG2 4.2Å |
| 101 | L | 85.4 | Confident | 86.6 | Confident | 50 Ų | 50 | 33.9 Ų | 33.9 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 173.5 | -79 | 168.1 | 0 | 0 | 0 | 111.8 | L97 M98 G99 D103 I104 Y105 I292 | L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 3.32Å; M98-L101 WeakPolarHBondContact O-CB 3.32Å; M98-L101 PolarHBondContact O-N 3.41Å; M98-L101 VanDerWaalsContact O-N 3.17Å; G99-L101 PolarHBondContact O-N 3.48Å; L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 3.27Å; L101-I104 PolarHBondContact O-N 3.43Å; L101-I104 VanDerWaalsContact O-N 3.16Å; L101-Y105 HydrophobicContact CD2-CD2 3.83Å; L101-Y105 HydrophobicContact CD2-CE2 3.76Å; L101-Y105 PolarHBondContact O-N 2.91Å; L101-I292 HydrophobicContact CD2-CD1 3.3Å; L101-I292 HydrophobicContact CD2-CG1 4.16Å; L101-I292 HydrophobicContact CG-CD1 3.94Å |
| 102 | G | 84.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -33.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | M98 G99 A100 I104 G106 R107 N110 | M98-G102 PolarHBondContact O-N 3.2Å; G99-G102 PolarHBondContact O-N 3.29Å; G99-G102 VanDerWaalsContact O-N 3.15Å; A100-G102 VanDerWaalsContact C-N 3.29Å; A100-G102 PolarHBondContact O-N 2.96Å; G102-I104 VanDerWaalsContact C-N 3.26Å; G102-I104 PolarHBondContact O-N 2.9Å; G102-G106 CarbonylContact O-C 3.56Å; G102-G106 VanDerWaalsContact O-CA 3.32Å; G102-G106 WeakPolarHBondContact O-CA 3.44Å; G102-G106 PolarHBondContact O-N 2.9Å; G102-G106 VanDerWaalsContact O-N 3.12Å; G102-R107 VanDerWaalsContact C-NH1 3.26Å; G102-N110 VanDerWaalsContact CA-ND2 3.27Å; G102-N110 WeakPolarHBondContact CA-ND2 3.45Å; G102-N110 PolarHBondContact N-ND2 3.41Å |
| 103 | D | 81.8 | Confident | 87.5 | Confident | 81 Ų | 81 | 35.8 Ų | 35.8 | 43% | 0.433 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67 | -27.8 | 175.4 | -67.5 | -33.8 | 0 | 0 | 0 | 112.1 | G99 A100 L101 R107 P231 | G99-D103 PolarHBondContact O-N 3.15Å; G99-D103 VanDerWaalsContact O-N 3.14Å; A100-D103 PolarHBondContact O-N 3.25Å; L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 3.27Å; D103-R107 VanDerWaalsContact N-NH1 3.17Å; D103-R107 IonicContact OD1-CZ 3.81Å; D103-R107 IonicContact OD1-NH1 3.05Å; D103-R107 PolarHBondContact OD1-NH1 2.86Å; D103-R107 IonicContact OD1-NH2 3.36Å; D103-R107 PolarHBondContact OD1-NH2 3.26Å; D103-P231 WeakPolarHBondContact O-CD 3.43Å; D103-P231 WeakPolarHBondContact O-CG 3.44Å |
| 104 | I | 84.3 | Confident | 87.9 | Confident | 44 Ų | 44 | 30.6 Ų | 30.6 | 23% | 0.226 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -94.9 | -51.4 | -175.5 | -60.7 | 170.6 | 0 | 0 | 0 | 111.2 | A100 L101 G102 I292 | A100-I104 PolarHBondContact O-N 3.46Å; L101-I104 PolarHBondContact O-N 3.43Å; L101-I104 VanDerWaalsContact O-N 3.16Å; G102-I104 VanDerWaalsContact C-N 3.26Å; G102-I104 PolarHBondContact O-N 2.9Å; I104-I292 HydrophobicContact CD1-CG1 4.49Å |
| 105 | Y | 85 | Confident | 88.4 | Confident | 95 Ų | 95 | 30.2 Ų | 30.2 | 37% | 0.373 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -95 | -17.8 | -169.9 | -65.8 | -62 | 0 | 0 | 0 | 113.1 | L101 Q228 K288 | L101-Y105 HydrophobicContact CD2-CD2 3.83Å; L101-Y105 HydrophobicContact CD2-CE2 3.76Å; L101-Y105 PolarHBondContact O-N 2.91Å; Y105-Q228 PolarHBondContact O-NE2 3.21Å; Y105-K288 WeakPolarHBondContact OH-CD 3.46Å |
| 106 | G | 87.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 107.4 | 159.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G102 Q228 V229 | G102-G106 CarbonylContact O-C 3.56Å; G102-G106 VanDerWaalsContact O-CA 3.32Å; G102-G106 WeakPolarHBondContact O-CA 3.44Å; G102-G106 PolarHBondContact O-N 2.9Å; G102-G106 VanDerWaalsContact O-N 3.12Å; G106-Q228 PolarHBondContact O-NE2 3.44Å; G106-V229 VanDerWaalsContact CA-O 3.28Å; G106-V229 WeakPolarHBondContact CA-O 3.35Å | ||
| 107 | R | 90.6 | Very high | 89.5 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -84.6 | -24.1 | -165.6 | -46 | -62.4 | -178 | 179.8 | -4.1 | 115.6 | G102 D103 I109 N110 I111 Y162 D165 | G102-R107 VanDerWaalsContact C-NH1 3.26Å; D103-R107 VanDerWaalsContact N-NH1 3.17Å; D103-R107 IonicContact OD1-CZ 3.81Å; D103-R107 IonicContact OD1-NH1 3.05Å; D103-R107 PolarHBondContact OD1-NH1 2.86Å; D103-R107 IonicContact OD1-NH2 3.36Å; D103-R107 PolarHBondContact OD1-NH2 3.26Å; R107-I109 VanDerWaalsContact C-N 3.32Å; R107-I109 PolarHBondContact O-N 2.68Å; R107-N110 WeakPolarHBondContact O-CB 3.14Å; R107-N110 PolarHBondContact O-N 3.49Å; R107-I111 PolarHBondContact O-N 3.27Å; R107-Y162 HydrophobicContact CB-CD2 3.9Å; R107-Y162 HydrophobicContact CB-CG 4.44Å; R107-Y162 HydrophobicContact CG-CD2 4.11Å; R107-D165 WeakPolarHBondContact CG-OD2 3.25Å; R107-D165 IonicContact CZ-OD2 2.68Å; R107-D165 IonicContact NE-OD2 3.73Å; R107-D165 PolarHBondContact NE-OD2 3.29Å; R107-D165 IonicContact NH2-OD2 3.19Å |
| 108 | K | 93.3 | Very high | 90 | Very high | 36 Ų | 36 | 28.7 Ų | 28.7 | 16% | 0.157 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | -173.4 | 166.6 | -165 | -161.6 | 163 | 0 | 111.9 | N110 I111 L112 S222 L223 L226 Q228 | K108-N110 VanDerWaalsContact C-N 3.31Å; K108-N110 PolarHBondContact O-N 3.07Å; K108-I111 WeakPolarHBondContact O-CB 3.42Å; K108-I111 PolarHBondContact O-N 3.28Å; K108-L112 HydrophobicContact CD-CD1 4.33Å; K108-L112 HydrophobicContact CG-CD1 3.77Å; K108-L112 HydrophobicContact CG-CG 4.25Å; K108-L112 WeakPolarHBondContact O-CG 3.44Å; K108-L112 PolarHBondContact O-N 2.89Å; K108-S222 WeakPolarHBondContact CE-O 3.37Å; K108-L223 WeakPolarHBondContact CE-O 3.4Å; K108-L223 PolarHBondContact NZ-O 3.44Å; K108-L226 HydrophobicContact CB-CB 4Å; K108-L226 HydrophobicContact CD-CB 4.27Å; K108-L226 VanDerWaalsContact CD-O 3.24Å; K108-L226 WeakPolarHBondContact CD-O 3.32Å; K108-L226 VanDerWaalsContact CE-O 3.26Å; K108-L226 WeakPolarHBondContact CE-O 3.2Å; K108-L226 HydrophobicContact CG-CB 4.01Å; K108-L226 PolarHBondContact NZ-O 3.09Å; K108-Q228 HydrophobicContact CB-CB 4.46Å; K108-Q228 HydrophobicContact CD-CB 4.07Å |
| 109 | I | 92.5 | Very high | 90.5 | Very high | 78 Ų | 78 | 29.2 Ų | 29.2 | 40% | 0.4 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.8 | -41 | 179.9 | -166.3 | 167.4 | 0 | 0 | 0 | 112.4 | R107 I111 L112 I113 | R107-I109 VanDerWaalsContact C-N 3.32Å; R107-I109 PolarHBondContact O-N 2.68Å; I109-I111 PolarHBondContact O-N 3.15Å; I109-L112 PolarHBondContact O-N 2.86Å; I109-I113 HydrophobicContact CG1-CD1 3.84Å; I109-I113 HydrophobicContact CG1-CG1 4.41Å; I109-I113 WeakPolarHBondContact O-CB 2.85Å; I109-I113 VanDerWaalsContact O-CG1 3.28Å; I109-I113 WeakPolarHBondContact O-CG1 3.31Å; I109-I113 PolarHBondContact O-N 3.02Å |
| 110 | N | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.7 | -67.2 | -3.2 | 0 | 0 | 0 | 111.7 | M98 G102 R107 K108 I113 G114 I154 S158 | M98-N110 PolarHBondContact O-ND2 3.1Å; M98-N110 PolarHBondContact O-OD1 3.34Å; G102-N110 VanDerWaalsContact CA-ND2 3.27Å; G102-N110 WeakPolarHBondContact CA-ND2 3.45Å; G102-N110 PolarHBondContact N-ND2 3.41Å; R107-N110 WeakPolarHBondContact O-CB 3.14Å; R107-N110 PolarHBondContact O-N 3.49Å; K108-N110 VanDerWaalsContact C-N 3.31Å; K108-N110 PolarHBondContact O-N 3.07Å; N110-I113 PolarHBondContact O-N 2.86Å; N110-G114 PolarHBondContact O-N 3.48Å; N110-I154 HydrophobicContact CB-CD1 4.28Å; N110-I154 HydrophobicContact CB-CG1 3.97Å; N110-S158 VanDerWaalsContact CB-OG 3.27Å; N110-S158 WeakPolarHBondContact CB-OG 3.31Å |
| 111 | I | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 176.7 | -70 | 171.8 | 0 | 0 | 0 | 110 | L26 R107 K108 I109 I113 G114 I115 V155 L226 | L26-I111 HydrophobicContact CD2-CD1 4.2Å; L26-I111 HydrophobicContact CD2-CG2 3.52Å; R107-I111 PolarHBondContact O-N 3.27Å; K108-I111 WeakPolarHBondContact O-CB 3.42Å; K108-I111 PolarHBondContact O-N 3.28Å; I109-I111 PolarHBondContact O-N 3.15Å; I111-I113 PolarHBondContact O-N 2.93Å; I111-G114 PolarHBondContact O-N 2.95Å; I111-I115 HydrophobicContact CG2-CD1 3.69Å; I111-I115 WeakPolarHBondContact O-CD1 3.48Å; I111-I115 VanDerWaalsContact O-CG1 3.24Å; I111-I115 WeakPolarHBondContact O-CG1 3.25Å; I111-I115 PolarHBondContact O-N 3.39Å; I111-V155 HydrophobicContact CG2-CG1 4.37Å; I111-L226 HydrophobicContact CD1-CD1 3.68Å; I111-L226 HydrophobicContact CG2-CD1 4.27Å |
| 112 | L | 95.7 | Very high | 92.4 | Very high | 24 Ų | 24 | 28.1 Ų | 28.1 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | -178.9 | -67.1 | 170.7 | 0 | 0 | 0 | 112.8 | K108 I109 T116 F219 L223 | K108-L112 HydrophobicContact CD-CD1 4.33Å; K108-L112 HydrophobicContact CG-CD1 3.77Å; K108-L112 HydrophobicContact CG-CG 4.25Å; K108-L112 WeakPolarHBondContact O-CG 3.44Å; K108-L112 PolarHBondContact O-N 2.89Å; I109-L112 PolarHBondContact O-N 2.86Å; L112-T116 WeakPolarHBondContact O-CB 3.42Å; L112-T116 PolarHBondContact O-N 3.05Å; L112-T116 PolarHBondContact O-OG1 3.27Å; L112-F219 HydrophobicContact CB-CE2 4.03Å; L112-F219 HydrophobicContact CD2-CD2 3.75Å; L112-F219 HydrophobicContact CD2-CE2 3.65Å; L112-F219 HydrophobicContact CD2-CG 4.39Å; L112-F219 HydrophobicContact CD2-CZ 4.22Å; L112-F219 HydrophobicContact CG-CE2 4.41Å; L112-L223 HydrophobicContact CD1-CD2 3.52Å; L112-L223 HydrophobicContact CD1-CG 4.4Å; L112-L223 HydrophobicContact CD2-CD2 3.79Å; L112-L223 HydrophobicContact CD2-CG 3.75Å; L112-L223 HydrophobicContact CG-CD2 4.32Å |
| 113 | I | 94.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 34.4 Ų | 34.4 | 31% | 0.308 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.7 | -45.9 | 177 | -69.9 | 167.7 | 0 | 0 | 0 | 110.4 | M98 I109 N110 I111 I115 T116 G117 T149 | M98-I113 HydrophobicContact CE-CB 4.45Å; M98-I113 HydrophobicContact CE-CD1 4.45Å; M98-I113 HydrophobicContact CE-CG2 3.49Å; M98-I113 VanDerWaalsContact CE-CG2 3.49Å; M98-I113 HydrophobicContact SD-CG2 4.08Å; I109-I113 HydrophobicContact CG1-CD1 3.84Å; I109-I113 HydrophobicContact CG1-CG1 4.41Å; I109-I113 WeakPolarHBondContact O-CB 2.85Å; I109-I113 VanDerWaalsContact O-CG1 3.28Å; I109-I113 WeakPolarHBondContact O-CG1 3.31Å; I109-I113 PolarHBondContact O-N 3.02Å; N110-I113 PolarHBondContact O-N 2.86Å; I111-I113 PolarHBondContact O-N 2.93Å; I113-I115 PolarHBondContact O-N 2.94Å; I113-T116 PolarHBondContact O-N 3.37Å; I113-G117 PolarHBondContact O-N 2.87Å; I113-T149 HydrophobicContact CG2-CG2 3.95Å; I113-T149 WeakPolarHBondContact O-CB 3.46Å |
| 114 | G | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N110 I111 G117 M118 T149 | N110-G114 PolarHBondContact O-N 3.48Å; I111-G114 PolarHBondContact O-N 2.95Å; G114-G117 PolarHBondContact O-N 3.12Å; G114-M118 PolarHBondContact O-N 3.36Å; G114-M118 VanDerWaalsContact O-N 3.13Å; G114-T149 WeakPolarHBondContact CA-O 3.44Å |
| 115 | I | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 177.5 | -66.7 | 166.7 | 0 | 0 | 0 | 111.5 | L26 I111 I113 G117 M118 I119 V155 M215 F219 | L26-I115 HydrophobicContact CD1-CD1 3.71Å; I111-I115 HydrophobicContact CG2-CD1 3.69Å; I111-I115 WeakPolarHBondContact O-CD1 3.48Å; I111-I115 VanDerWaalsContact O-CG1 3.24Å; I111-I115 WeakPolarHBondContact O-CG1 3.25Å; I111-I115 PolarHBondContact O-N 3.39Å; I113-I115 PolarHBondContact O-N 2.94Å; I115-G117 VanDerWaalsContact C-N 3.33Å; I115-G117 PolarHBondContact O-N 3.47Å; I115-M118 HydrophobicContact CG1-CE 4.28Å; I115-M118 PolarHBondContact O-N 3.04Å; I115-I119 HydrophobicContact CG2-CD1 3.83Å; I115-I119 HydrophobicContact CG2-CG1 4.38Å; I115-I119 WeakPolarHBondContact O-CG1 3.15Å; I115-I119 PolarHBondContact O-N 3.32Å; I115-V155 HydrophobicContact CG1-CG1 4.48Å; I115-V155 HydrophobicContact CG1-CG2 4.06Å; I115-M215 HydrophobicContact CG1-SD 4.35Å; I115-M215 HydrophobicContact CG2-CG 3.86Å; I115-M215 HydrophobicContact CG2-SD 3.93Å; I115-F219 HydrophobicContact CB-CD2 4.27Å; I115-F219 HydrophobicContact CG2-CB 3.76Å; I115-F219 HydrophobicContact CG2-CD2 3.91Å; I115-F219 HydrophobicContact CG2-CG 4.33Å |
| 116 | T | 96.3 | Very high | 94.6 | Very high | 62 Ų | 62 | 25.9 Ų | 25.9 | 38% | 0.38 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | L112 I113 M118 I119 V120 F219 | L112-T116 WeakPolarHBondContact O-CB 3.42Å; L112-T116 PolarHBondContact O-N 3.05Å; L112-T116 PolarHBondContact O-OG1 3.27Å; I113-T116 PolarHBondContact O-N 3.37Å; T116-M118 VanDerWaalsContact C-N 3.35Å; T116-M118 PolarHBondContact O-N 2.96Å; T116-I119 PolarHBondContact O-N 3.48Å; T116-V120 HydrophobicContact CG2-CG2 4.49Å; T116-V120 WeakPolarHBondContact O-CG2 3.46Å; T116-V120 PolarHBondContact O-N 3.33Å; T116-F219 WeakPolarHBondContact OG1-CE2 3.21Å |
| 117 | G | 95.7 | Very high | 95 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I113 G114 I115 V120 A121 A146 T149 | I113-G117 PolarHBondContact O-N 2.87Å; G114-G117 PolarHBondContact O-N 3.12Å; I115-G117 VanDerWaalsContact C-N 3.33Å; I115-G117 PolarHBondContact O-N 3.47Å; G117-V120 PolarHBondContact O-N 3.3Å; G117-A121 PolarHBondContact O-N 3Å; G117-A146 VanDerWaalsContact O-CB 3.22Å; G117-A146 WeakPolarHBondContact O-CB 3.34Å; G117-T149 VanDerWaalsContact CA-OG1 3.32Å; G117-T149 WeakPolarHBondContact CA-OG1 3.39Å |
| 118 | M | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 174.4 | -70.8 | -173 | -69.3 | 0 | 0 | 112 | G114 I115 T116 V120 A121 W122 F151 L152 V155 M215 | G114-M118 PolarHBondContact O-N 3.36Å; G114-M118 VanDerWaalsContact O-N 3.13Å; I115-M118 HydrophobicContact CG1-CE 4.28Å; I115-M118 PolarHBondContact O-N 3.04Å; T116-M118 VanDerWaalsContact C-N 3.35Å; T116-M118 PolarHBondContact O-N 2.96Å; M118-V120 VanDerWaalsContact C-N 3.32Å; M118-V120 PolarHBondContact O-N 3.12Å; M118-A121 PolarHBondContact O-N 3.45Å; M118-W122 WeakPolarHBondContact O-CB 3.49Å; M118-W122 VanDerWaalsContact O-CD1 3.27Å; M118-W122 PolarHBondContact O-N 3.47Å; M118-W122 HydrophobicContact SD-CZ2 4.49Å; M118-F151 HydrophobicContact CG-CD2 3.76Å; M118-F151 HydrophobicContact CG-CE2 3.91Å; M118-F151 HydrophobicContact CG-CG 4.36Å; M118-L152 HydrophobicContact SD-CB 4.08Å; M118-L152 HydrophobicContact SD-CD1 4.23Å; M118-V155 HydrophobicContact CE-CG2 3.82Å; M118-M215 HydrophobicContact CE-SD 4.02Å |
| 119 | I | 97.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 26 Ų | 26 | 18% | 0.179 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.1 | -47.5 | 176.6 | -70.2 | 169.7 | 0 | 0 | 0 | 110.5 | I115 T116 W122 Y123 V212 M215 F219 | I115-I119 HydrophobicContact CG2-CD1 3.83Å; I115-I119 HydrophobicContact CG2-CG1 4.38Å; I115-I119 WeakPolarHBondContact O-CG1 3.15Å; I115-I119 PolarHBondContact O-N 3.32Å; T116-I119 PolarHBondContact O-N 3.48Å; I119-W122 PolarHBondContact O-N 3.23Å; I119-Y123 WeakPolarHBondContact O-CB 3.45Å; I119-Y123 PolarHBondContact O-N 3.26Å; I119-V212 HydrophobicContact CG2-CG1 4.31Å; I119-M215 HydrophobicContact CD1-CB 4.47Å; I119-M215 HydrophobicContact CD1-CG 4.18Å; I119-M215 HydrophobicContact CG1-CB 3.93Å; I119-M215 HydrophobicContact CG1-CG 3.62Å; I119-F219 HydrophobicContact CD1-CB 4.36Å |
| 120 | V | 96.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 24.6 Ų | 24.6 | 30% | 0.303 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 179.9 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | T116 G117 M118 S124 F142 | T116-V120 HydrophobicContact CG2-CG2 4.49Å; T116-V120 WeakPolarHBondContact O-CG2 3.46Å; T116-V120 PolarHBondContact O-N 3.33Å; G117-V120 PolarHBondContact O-N 3.3Å; M118-V120 VanDerWaalsContact C-N 3.32Å; M118-V120 PolarHBondContact O-N 3.12Å; V120-S124 PolarHBondContact O-N 3.03Å; V120-F142 HydrophobicContact CG1-CD1 3.49Å; V120-F142 VanDerWaalsContact CG1-CD1 3.49Å; V120-F142 HydrophobicContact CG1-CE1 3.87Å |
| 121 | A | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G117 M118 S124 T125 A146 | G117-A121 PolarHBondContact O-N 3Å; M118-A121 PolarHBondContact O-N 3.45Å; A121-S124 PolarHBondContact O-N 3.42Å; A121-S124 PolarHBondContact O-OG 2.9Å; A121-T125 PolarHBondContact O-N 2.93Å; A121-T125 PolarHBondContact O-OG1 3.06Å; A121-A146 HydrophobicContact CB-CB 3.69Å |
| 122 | W | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.9 | -36.5 | -177.3 | -65 | 6.2 | 0 | 0 | 0 | 112 | A33 L34 F37 M118 I119 T125 M126 V212 M215 | A33-W122 HydrophobicContact CB-CH2 4.18Å; A33-W122 HydrophobicContact CB-CZ3 3.83Å; L34-W122 HydrophobicContact CB-CH2 4.35Å; L34-W122 HydrophobicContact CD1-CH2 4.47Å; L34-W122 HydrophobicContact CD1-CZ2 4Å; F37-W122 HydrophobicContact CB-CD2 3.94Å; F37-W122 HydrophobicContact CB-CE3 4Å; F37-W122 HydrophobicContact CB-CH2 3.96Å; F37-W122 HydrophobicContact CB-CZ2 3.89Å; F37-W122 HydrophobicContact CB-CZ3 4Å; F37-W122 AromaticContact CD1-CD1 3.87Å; F37-W122 HydrophobicContact CD1-CD2 4.17Å; F37-W122 AromaticContact CD1-CE2 3.57Å; F37-W122 HydrophobicContact CD1-CG 4.34Å; F37-W122 AromaticContact CD1-CZ2 3.98Å; F37-W122 HydrophobicContact CD1-CZ2 3.98Å; F37-W122 AromaticContact CD1-NE1 3.38Å; F37-W122 HydrophobicContact CD2-CB 3.93Å; F37-W122 AromaticContact CD2-CD1 3.63Å; F37-W122 AromaticContact CD2-CD2 3.63Å; F37-W122 HydrophobicContact CD2-CD2 3.63Å; F37-W122 AromaticContact CD2-CE2 3.94Å; F37-W122 HydrophobicContact CD2-CE3 4.25Å; F37-W122 AromaticContact CD2-CG 3.45Å; F37-W122 HydrophobicContact CD2-CG 3.45Å; F37-W122 VanDerWaalsContact CD2-CG 3.45Å; F37-W122 AromaticContact CD2-NE1 3.92Å; F37-W122 AromaticContact CE1-CD1 3.61Å; F37-W122 HydrophobicContact CE1-CG 4.39Å; F37-W122 AromaticContact CE1-NE1 3.39Å; F37-W122 HydrophobicContact CE2-CB 3.86Å; F37-W122 AromaticContact CE2-CD1 3.36Å; F37-W122 HydrophobicContact CE2-CD2 4.17Å; F37-W122 AromaticContact CE2-CG 3.52Å; F37-W122 HydrophobicContact CE2-CG 3.52Å; F37-W122 AromaticContact CE2-NE1 3.93Å; F37-W122 AromaticContact CG-CD1 3.88Å; F37-W122 AromaticContact CG-CD2 3.63Å; F37-W122 HydrophobicContact CG-CD2 3.63Å; F37-W122 AromaticContact CG-CE2 3.49Å; F37-W122 VanDerWaalsContact CG-CE2 3.49Å; F37-W122 HydrophobicContact CG-CE3 4.19Å; F37-W122 AromaticContact CG-CG 3.9Å; F37-W122 HydrophobicContact CG-CG 3.9Å; F37-W122 HydrophobicContact CG-CH2 4.49Å; F37-W122 AromaticContact CG-CZ2 3.97Å; F37-W122 HydrophobicContact CG-CZ2 3.97Å; F37-W122 AromaticContact CG-NE1 3.65Å; F37-W122 AromaticContact CZ-CD1 3.35Å; F37-W122 HydrophobicContact CZ-CG 4Å; F37-W122 AromaticContact CZ-NE1 3.68Å; M118-W122 WeakPolarHBondContact O-CB 3.49Å; M118-W122 VanDerWaalsContact O-CD1 3.27Å; M118-W122 PolarHBondContact O-N 3.47Å; M118-W122 HydrophobicContact SD-CZ2 4.49Å; I119-W122 PolarHBondContact O-N 3.23Å; W122-T125 WeakPolarHBondContact O-CB 3.47Å; W122-T125 PolarHBondContact O-N 3.33Å; W122-M126 PolarHBondContact O-N 3.42Å; W122-V212 HydrophobicContact CB-CG2 3.72Å; W122-M215 HydrophobicContact CH2-CE 3.74Å; W122-M215 HydrophobicContact CZ3-CB 4.35Å; W122-M215 HydrophobicContact CZ3-CE 3.8Å |
| 123 | Y | 95.8 | Very high | 94.6 | Very high | 133 Ų | 133 | 41.6 Ų | 41.6 | 52% | 0.522 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 171.8 | 179.4 | -98.7 | 0 | 0 | 0 | 111.4 | I119 T125 M126 V127 | I119-Y123 WeakPolarHBondContact O-CB 3.45Å; I119-Y123 PolarHBondContact O-N 3.26Å; Y123-T125 PolarHBondContact O-N 2.98Å; Y123-M126 HydrophobicContact CD2-CE 3.82Å; Y123-M126 HydrophobicContact CE2-CE 3.66Å; Y123-M126 WeakPolarHBondContact O-CB 3.31Å; Y123-M126 PolarHBondContact O-N 3.48Å; Y123-M126 VanDerWaalsContact O-N 3.14Å; Y123-V127 HydrophobicContact CD1-CG2 4.31Å; Y123-V127 HydrophobicContact CE1-CG2 3.85Å; Y123-V127 HydrophobicContact CE2-CG2 4.47Å; Y123-V127 WeakPolarHBondContact O-CG2 3.34Å; Y123-V127 PolarHBondContact O-N 2.98Å |
| 124 | S | 95.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | 176.5 | 77.4 | 0 | 0 | 0 | 0 | 112.3 | V120 A121 V127 V128 F142 | V120-S124 PolarHBondContact O-N 3.03Å; A121-S124 PolarHBondContact O-N 3.42Å; A121-S124 PolarHBondContact O-OG 2.9Å; S124-V127 PolarHBondContact O-N 3.04Å; S124-V128 WeakPolarHBondContact O-CG2 3.29Å; S124-V128 PolarHBondContact O-N 3.13Å; S124-F142 VanDerWaalsContact CB-CG 3.43Å; S124-F142 WeakPolarHBondContact OG-CB 3.48Å |
| 125 | T | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | F37 M41 A121 W122 Y123 V127 V128 F129 L139 I208 | F37-T125 HydrophobicContact CE2-CG2 4Å; F37-T125 HydrophobicContact CZ-CG2 4.38Å; M41-T125 HydrophobicContact CE-CG2 4.19Å; M41-T125 HydrophobicContact SD-CG2 3.33Å; M41-T125 WeakPolarHBondContact SD-CG2 3.42Å; A121-T125 PolarHBondContact O-N 2.93Å; A121-T125 PolarHBondContact O-OG1 3.06Å; W122-T125 WeakPolarHBondContact O-CB 3.47Å; W122-T125 PolarHBondContact O-N 3.33Å; Y123-T125 PolarHBondContact O-N 2.98Å; T125-V127 VanDerWaalsContact C-N 3.32Å; T125-V127 PolarHBondContact O-N 3.36Å; T125-V128 PolarHBondContact O-N 2.66Å; T125-F129 HydrophobicContact CG2-CD2 4.05Å; T125-F129 HydrophobicContact CG2-CE1 4.22Å; T125-F129 HydrophobicContact CG2-CE2 3.65Å; T125-F129 HydrophobicContact CG2-CG 4.48Å; T125-F129 HydrophobicContact CG2-CZ 3.74Å; T125-F129 WeakPolarHBondContact O-CB 3.45Å; T125-F129 WeakPolarHBondContact O-CG 3.43Å; T125-F129 PolarHBondContact O-N 3.18Å; T125-L139 HydrophobicContact CG2-CD2 4.41Å; T125-I208 HydrophobicContact CG2-CD1 4.1Å |
| 126 | M | 95.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 18% | 0.177 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 175.9 | -173.4 | -167.1 | 74.5 | 0 | 0 | 111.5 | W122 Y123 F129 A130 V205 I208 C209 | W122-M126 PolarHBondContact O-N 3.42Å; Y123-M126 HydrophobicContact CD2-CE 3.82Å; Y123-M126 HydrophobicContact CE2-CE 3.66Å; Y123-M126 WeakPolarHBondContact O-CB 3.31Å; Y123-M126 PolarHBondContact O-N 3.48Å; Y123-M126 VanDerWaalsContact O-N 3.14Å; M126-F129 PolarHBondContact O-N 3.23Å; M126-A130 WeakPolarHBondContact O-CB 3.28Å; M126-A130 PolarHBondContact O-N 3.33Å; M126-V205 HydrophobicContact CG-CG1 3.63Å; M126-I208 HydrophobicContact CB-CG2 3.98Å; M126-C209 HydrophobicContact SD-CB 3.85Å |
| 127 | V | 95.5 | Very high | 94.2 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 26% | 0.261 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -47.7 | -179.8 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | Y123 S124 T125 F129 A130 Y131 L134 | Y123-V127 HydrophobicContact CD1-CG2 4.31Å; Y123-V127 HydrophobicContact CE1-CG2 3.85Å; Y123-V127 HydrophobicContact CE2-CG2 4.47Å; Y123-V127 WeakPolarHBondContact O-CG2 3.34Å; Y123-V127 PolarHBondContact O-N 2.98Å; S124-V127 PolarHBondContact O-N 3.04Å; T125-V127 VanDerWaalsContact C-N 3.32Å; T125-V127 PolarHBondContact O-N 3.36Å; V127-F129 VanDerWaalsContact C-N 3.29Å; V127-F129 PolarHBondContact O-N 3.18Å; V127-A130 PolarHBondContact O-N 3.18Å; V127-Y131 HydrophobicContact CG1-CD2 4.35Å; V127-Y131 WeakPolarHBondContact O-CD2 3.21Å; V127-Y131 PolarHBondContact O-N 3.46Å; V127-L134 HydrophobicContact CG1-CD1 3.92Å |
| 128 | V | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -37 | 179.6 | 173 | 0 | 0 | 0 | 0 | 111.5 | S124 T125 Y131 L136 I138 L139 | S124-V128 WeakPolarHBondContact O-CG2 3.29Å; S124-V128 PolarHBondContact O-N 3.13Å; T125-V128 PolarHBondContact O-N 2.66Å; V128-Y131 CarbonylContact O-C 3.36Å; V128-Y131 PolarHBondContact O-N 2.85Å; V128-L136 HydrophobicContact CG1-CD2 4.04Å; V128-I138 HydrophobicContact CG2-CB 4.03Å; V128-I138 HydrophobicContact CG2-CG2 3.89Å; V128-L139 HydrophobicContact CB-CD2 3.82Å; V128-L139 HydrophobicContact CB-CG 4.26Å; V128-L139 HydrophobicContact CG1-CD1 4.13Å; V128-L139 HydrophobicContact CG1-CD2 4.17Å; V128-L139 HydrophobicContact CG1-CG 4.08Å; V128-L139 HydrophobicContact CG2-CD2 3.79Å; V128-L139 HydrophobicContact CG2-CG 4.15Å |
| 129 | F | 94.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.5 | -28.1 | 177.6 | -70.2 | 1.4 | 0 | 0 | 0 | 113.1 | M41 G44 I45 V48 T125 M126 V127 Y131 L139 V205 I208 | M41-F129 WeakPolarHBondContact O-CZ 3.42Å; M41-F129 HydrophobicContact SD-CE2 4.21Å; M41-F129 HydrophobicContact SD-CZ 3.8Å; G44-F129 VanDerWaalsContact C-CZ 3.47Å; I45-F129 HydrophobicContact CB-CE1 4.38Å; I45-F129 HydrophobicContact CB-CZ 4.13Å; I45-F129 HydrophobicContact CD1-CE1 4.43Å; V48-F129 HydrophobicContact CG2-CD1 3.89Å; V48-F129 HydrophobicContact CG2-CE1 4.34Å; T125-F129 HydrophobicContact CG2-CD2 4.05Å; T125-F129 HydrophobicContact CG2-CE1 4.22Å; T125-F129 HydrophobicContact CG2-CE2 3.65Å; T125-F129 HydrophobicContact CG2-CG 4.48Å; T125-F129 HydrophobicContact CG2-CZ 3.74Å; T125-F129 WeakPolarHBondContact O-CB 3.45Å; T125-F129 WeakPolarHBondContact O-CG 3.43Å; T125-F129 PolarHBondContact O-N 3.18Å; M126-F129 PolarHBondContact O-N 3.23Å; V127-F129 VanDerWaalsContact C-N 3.29Å; V127-F129 PolarHBondContact O-N 3.18Å; F129-Y131 VanDerWaalsContact C-N 3.35Å; F129-L139 HydrophobicContact CE1-CD1 4.23Å; F129-V205 HydrophobicContact CB-CG2 3.8Å; F129-I208 HydrophobicContact CD2-CD1 3.72Å; F129-I208 HydrophobicContact CE2-CD1 3.89Å |
| 130 | A | 94.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.2 | -33 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M126 V127 P132 V205 | M126-A130 WeakPolarHBondContact O-CB 3.28Å; M126-A130 PolarHBondContact O-N 3.33Å; V127-A130 PolarHBondContact O-N 3.18Å; A130-P132 WeakPolarHBondContact O-CD 3.24Å; A130-V205 HydrophobicContact CB-CG1 4.08Å; A130-V205 HydrophobicContact CB-CG2 4.34Å |
| 131 | Y | 93.3 | Very high | 94.1 | Very high | 154 Ų | 154 | 49.4 Ų | 49.4 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | trans | -123.5 | 81.1 | 179.1 | -57.3 | -81.1 | 0 | 0 | 0 | 110.9 | V127 V128 F129 Q133 L134 | V127-Y131 HydrophobicContact CG1-CD2 4.35Å; V127-Y131 WeakPolarHBondContact O-CD2 3.21Å; V127-Y131 PolarHBondContact O-N 3.46Å; V128-Y131 CarbonylContact O-C 3.36Å; V128-Y131 PolarHBondContact O-N 2.85Å; F129-Y131 VanDerWaalsContact C-N 3.35Å; Y131-Q133 PolarHBondContact O-N 3.06Å; Y131-L134 HydrophobicContact CD2-CD1 4.48Å; Y131-L134 WeakPolarHBondContact O-CB 3.34Å; Y131-L134 PolarHBondContact O-N 2.97Å | ||
| 132 | P | 86.1 | Confident | 94.1 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.3 | -177 | -25.4 | 34.4 | 0 | 0 | 0 | 115.1 | V48 K52 A130 L134 | V48-P132 HydrophobicContact CG1-CB 4.46Å; K52-P132 WeakPolarHBondContact CE-O 2.9Å; K52-P132 PolarHBondContact NZ-O 2.96Å; A130-P132 WeakPolarHBondContact O-CD 3.24Å; P132-L134 VanDerWaalsContact C-N 3.26Å |
| 133 | Q | 88.5 | Confident | 94 | Very high | 185 Ų | 185 | 53.1 Ų | 53.1 | 86% | 0.864 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -27.9 | 175 | -47.6 | -167 | 29.3 | 0 | 0 | 111.9 | Y131 | Y131-Q133 PolarHBondContact O-N 3.06Š|
| 134 | L | 92.5 | Very high | 94 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -59.2 | 151.1 | 178.4 | -71.4 | 175.4 | 0 | 0 | 0 | 111.5 | K52 V127 Y131 P132 I138 | K52-L134 PolarHBondContact NZ-O 3.31Å; V127-L134 HydrophobicContact CG1-CD1 3.92Å; Y131-L134 HydrophobicContact CD2-CD1 4.48Å; Y131-L134 WeakPolarHBondContact O-CB 3.34Å; Y131-L134 PolarHBondContact O-N 2.97Å; P132-L134 VanDerWaalsContact C-N 3.26Å; L134-I138 HydrophobicContact CB-CD1 4.38Å; L134-I138 HydrophobicContact CD2-CD1 4.49Å |
| 135 | P | 93.1 | Very high | 94 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | trans | -74.4 | 134.5 | 179.1 | 30.9 | -34.9 | 0 | 0 | 0 | 110.9 | F137 I138 | P135-F137 HydrophobicContact CB-CD1 3.46Å; P135-F137 VanDerWaalsContact CB-CD1 3.46Å; P135-F137 HydrophobicContact CB-CE1 3.42Å; P135-F137 VanDerWaalsContact CB-CE1 3.42Å; P135-F137 HydrophobicContact CB-CZ 4.49Å; P135-F137 HydrophobicContact CG-CD1 3.82Å; P135-F137 HydrophobicContact CG-CE1 3.28Å; P135-F137 HydrophobicContact CG-CZ 3.94Å; P135-F137 PolarHBondContact O-N 2.97Å; P135-I138 HydrophobicContact CG-CD1 3.81Å; P135-I138 HydrophobicContact CG-CG1 4.11Å; P135-I138 WeakPolarHBondContact O-CG1 3.48Å; P135-I138 PolarHBondContact O-N 2.69Å | ||
| 136 | L | 93.2 | Very high | 93.9 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.7 | -176.7 | -73.5 | 174.2 | 0 | 0 | 0 | 113.7 | I45 V48 L49 K52 W79 V128 I138 L139 | I45-L136 HydrophobicContact CD1-CD1 4.43Å; I45-L136 HydrophobicContact CD1-CD2 3.7Å; V48-L136 HydrophobicContact CG1-CD2 3.75Å; V48-L136 HydrophobicContact CG1-CG 4.46Å; L49-L136 HydrophobicContact CD2-CD1 3.57Å; L49-L136 HydrophobicContact CG-CD1 4.29Å; K52-L136 HydrophobicContact CD-CD1 4.15Å; K52-L136 HydrophobicContact CD-CG 4.39Å; W79-L136 HydrophobicContact CD2-CD1 4.39Å; W79-L136 HydrophobicContact CE3-CB 4.35Å; W79-L136 HydrophobicContact CH2-CB 3.36Å; W79-L136 HydrophobicContact CH2-CD1 4.27Å; W79-L136 HydrophobicContact CH2-CG 4.46Å; W79-L136 HydrophobicContact CZ2-CB 3.83Å; W79-L136 HydrophobicContact CZ2-CD1 3.88Å; W79-L136 HydrophobicContact CZ3-CB 3.65Å; V128-L136 HydrophobicContact CG1-CD2 4.04Å; L136-I138 PolarHBondContact O-N 2.91Å; L136-I138 VanDerWaalsContact O-N 3.13Å; L136-L139 HydrophobicContact CD2-CD1 4.06Å; L136-L139 WeakPolarHBondContact O-CB 3.42Å; L136-L139 PolarHBondContact O-N 3.01Å; L136-L139 VanDerWaalsContact O-N 3.07Å |
| 137 | F | 94.2 | Very high | 93.8 | Very high | 121 Ų | 121 | 52.7 Ų | 52.7 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -24.2 | 178.6 | 79.9 | -104.1 | 0 | 0 | 0 | 112.6 | P135 L139 L140 C141 | P135-F137 HydrophobicContact CB-CD1 3.46Å; P135-F137 VanDerWaalsContact CB-CD1 3.46Å; P135-F137 HydrophobicContact CB-CE1 3.42Å; P135-F137 VanDerWaalsContact CB-CE1 3.42Å; P135-F137 HydrophobicContact CB-CZ 4.49Å; P135-F137 HydrophobicContact CG-CD1 3.82Å; P135-F137 HydrophobicContact CG-CE1 3.28Å; P135-F137 HydrophobicContact CG-CZ 3.94Å; P135-F137 PolarHBondContact O-N 2.97Å; F137-L139 PolarHBondContact O-N 2.57Å; F137-L140 WeakPolarHBondContact O-CB 3.49Å; F137-L140 PolarHBondContact O-N 2.75Å; F137-C141 PolarHBondContact O-N 2.89Å; F137-C141 VanDerWaalsContact O-N 3.08Å |
| 138 | I | 95.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.205 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55 | -40.7 | 176 | -67.1 | 172.3 | 0 | 0 | 0 | 110.2 | V128 L134 P135 L136 L140 C141 F142 | V128-I138 HydrophobicContact CG2-CB 4.03Å; V128-I138 HydrophobicContact CG2-CG2 3.89Å; L134-I138 HydrophobicContact CB-CD1 4.38Å; L134-I138 HydrophobicContact CD2-CD1 4.49Å; P135-I138 HydrophobicContact CG-CD1 3.81Å; P135-I138 HydrophobicContact CG-CG1 4.11Å; P135-I138 WeakPolarHBondContact O-CG1 3.48Å; P135-I138 PolarHBondContact O-N 2.69Å; L136-I138 PolarHBondContact O-N 2.91Å; L136-I138 VanDerWaalsContact O-N 3.13Å; I138-L140 VanDerWaalsContact C-N 3.31Å; I138-L140 PolarHBondContact O-N 2.78Å; I138-C141 PolarHBondContact O-N 3.46Å; I138-F142 HydrophobicContact CG2-CD2 3.64Å; I138-F142 HydrophobicContact CG2-CE2 3.7Å; I138-F142 WeakPolarHBondContact O-CD2 2.99Å; I138-F142 PolarHBondContact O-N 3.08Å; I138-F142 VanDerWaalsContact O-N 3.1Å |
| 139 | L | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 177 | -60.6 | 179 | 0 | 0 | 0 | 111.6 | I45 M83 T125 V128 F129 L136 F137 N143 | I45-L139 HydrophobicContact CD1-CD1 3.83Å; M83-L139 HydrophobicContact SD-CB 4.35Å; M83-L139 HydrophobicContact SD-CD1 4.24Å; T125-L139 HydrophobicContact CG2-CD2 4.41Å; V128-L139 HydrophobicContact CB-CD2 3.82Å; V128-L139 HydrophobicContact CB-CG 4.26Å; V128-L139 HydrophobicContact CG1-CD1 4.13Å; V128-L139 HydrophobicContact CG1-CD2 4.17Å; V128-L139 HydrophobicContact CG1-CG 4.08Å; V128-L139 HydrophobicContact CG2-CD2 3.79Å; V128-L139 HydrophobicContact CG2-CG 4.15Å; F129-L139 HydrophobicContact CE1-CD1 4.23Å; L136-L139 HydrophobicContact CD2-CD1 4.06Å; L136-L139 WeakPolarHBondContact O-CB 3.42Å; L136-L139 PolarHBondContact O-N 3.01Å; L136-L139 VanDerWaalsContact O-N 3.07Å; F137-L139 PolarHBondContact O-N 2.57Å; L139-N143 WeakPolarHBondContact O-CB 3.3Å; L139-N143 PolarHBondContact O-N 3.48Å; L139-N143 PolarHBondContact O-ND2 3.27Å |
| 140 | L | 95.5 | Very high | 93.2 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 179.4 | -57.2 | -179.9 | 0 | 0 | 0 | 111 | W79 L82 M83 F137 I138 F142 N143 L144 | W79-L140 HydrophobicContact CE3-CD2 4.4Å; W79-L140 HydrophobicContact CH2-CD1 4.44Å; W79-L140 HydrophobicContact CZ3-CD1 3.85Å; W79-L140 HydrophobicContact CZ3-CD2 4.22Å; W79-L140 HydrophobicContact CZ3-CG 3.97Å; L82-L140 HydrophobicContact CB-CD1 4.47Å; L82-L140 HydrophobicContact CB-CD2 3.74Å; M83-L140 HydrophobicContact CB-CD2 4.45Å; M83-L140 HydrophobicContact CG-CD2 3.7Å; F137-L140 WeakPolarHBondContact O-CB 3.49Å; F137-L140 PolarHBondContact O-N 2.75Å; I138-L140 VanDerWaalsContact C-N 3.31Å; I138-L140 PolarHBondContact O-N 2.78Å; L140-F142 PolarHBondContact O-N 3.16Å; L140-N143 PolarHBondContact O-N 3.25Å; L140-L144 WeakPolarHBondContact O-CB 3.33Å; L140-L144 PolarHBondContact O-N 3.4Å |
| 141 | C | 96.1 | Very high | 92.8 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 178.9 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | F137 I138 L144 I145 | F137-C141 PolarHBondContact O-N 2.89Å; F137-C141 VanDerWaalsContact O-N 3.08Å; I138-C141 PolarHBondContact O-N 3.46Å; C141-L144 WeakPolarHBondContact O-CB 3.31Å; C141-L144 PolarHBondContact O-N 3.46Å; C141-I145 WeakPolarHBondContact O-CG1 3.27Å; C141-I145 PolarHBondContact O-N 2.88Å |
| 142 | F | 95.9 | Very high | 92.5 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 32% | 0.32 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.2 | -32.7 | -179.4 | -78.7 | -72.7 | 0 | 0 | 0 | 113.3 | V120 S124 I138 L140 L144 I145 A146 | V120-F142 HydrophobicContact CG1-CD1 3.49Å; V120-F142 VanDerWaalsContact CG1-CD1 3.49Å; V120-F142 HydrophobicContact CG1-CE1 3.87Å; S124-F142 VanDerWaalsContact CB-CG 3.43Å; S124-F142 WeakPolarHBondContact OG-CB 3.48Å; I138-F142 HydrophobicContact CG2-CD2 3.64Å; I138-F142 HydrophobicContact CG2-CE2 3.7Å; I138-F142 WeakPolarHBondContact O-CD2 2.99Å; I138-F142 PolarHBondContact O-N 3.08Å; I138-F142 VanDerWaalsContact O-N 3.1Å; L140-F142 PolarHBondContact O-N 3.16Å; F142-L144 VanDerWaalsContact C-N 3.32Å; F142-I145 HydrophobicContact CD1-CD1 4.27Å; F142-I145 PolarHBondContact O-N 3.3Å; F142-A146 WeakPolarHBondContact O-CB 3.21Å; F142-A146 PolarHBondContact O-N 3.49Å |
| 143 | N | 94.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.1 | -36.1 | 170.4 | -83.6 | -84.3 | 0 | 0 | 0 | 111.7 | C86 Y87 L139 L140 A146 G147 | C86-N143 HydrophobicContact CB-CB 4.15Å; Y87-N143 WeakPolarHBondContact CA-O 3.45Å; Y87-N143 WeakPolarHBondContact CB-O 3.48Å; L139-N143 WeakPolarHBondContact O-CB 3.3Å; L139-N143 PolarHBondContact O-N 3.48Å; L139-N143 PolarHBondContact O-ND2 3.27Å; L140-N143 PolarHBondContact O-N 3.25Å; N143-A146 PolarHBondContact O-N 2.95Å; N143-G147 PolarHBondContact O-N 3.28Å |
| 144 | L | 95.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 39% | 0.387 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 174.1 | -171.8 | 77.6 | 0 | 0 | 0 | 111.4 | C86 P90 L140 C141 F142 A146 G147 F148 | C86-L144 HydrophobicContact CB-CB 4.32Å; C86-L144 WeakPolarHBondContact O-CA 3.43Å; P90-L144 HydrophobicContact CG-CD1 3.6Å; P90-L144 HydrophobicContact CG-CG 4.44Å; L140-L144 WeakPolarHBondContact O-CB 3.33Å; L140-L144 PolarHBondContact O-N 3.4Å; C141-L144 WeakPolarHBondContact O-CB 3.31Å; C141-L144 PolarHBondContact O-N 3.46Å; F142-L144 VanDerWaalsContact C-N 3.32Å; L144-A146 PolarHBondContact O-N 3.35Å; L144-G147 PolarHBondContact O-N 3.43Å; L144-F148 HydrophobicContact CG-CE2 4.2Å; L144-F148 VanDerWaalsContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CD2 3.41Å; L144-F148 PolarHBondContact O-N 2.84Å |
| 145 | I | 95.3 | Very high | 92.6 | Very high | 90 Ų | 90 | 37.7 Ų | 37.7 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 176 | -66.1 | 165.5 | 0 | 0 | 0 | 110.5 | C141 F142 G147 F148 T149 | C141-I145 WeakPolarHBondContact O-CG1 3.27Å; C141-I145 PolarHBondContact O-N 2.88Å; F142-I145 HydrophobicContact CD1-CD1 4.27Å; F142-I145 PolarHBondContact O-N 3.3Å; I145-G147 VanDerWaalsContact C-N 3.27Å; I145-G147 PolarHBondContact O-N 3.05Å; I145-F148 PolarHBondContact O-N 3Å; I145-T149 PolarHBondContact O-N 2.88Å |
| 146 | A | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.8 | -25.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G117 A121 F142 N143 L144 T149 F151 | G117-A146 VanDerWaalsContact O-CB 3.22Å; G117-A146 WeakPolarHBondContact O-CB 3.34Å; A121-A146 HydrophobicContact CB-CB 3.69Å; F142-A146 WeakPolarHBondContact O-CB 3.21Å; F142-A146 PolarHBondContact O-N 3.49Å; N143-A146 PolarHBondContact O-N 2.95Å; L144-A146 PolarHBondContact O-N 3.35Å; A146-T149 PolarHBondContact O-N 2.86Å; A146-T149 PolarHBondContact O-OG1 2.95Å; A146-F151 HydrophobicContact CB-CD2 4.13Å; A146-F151 PolarHBondContact O-N 2.96Å |
| 147 | G | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y87 P90 A91 N143 L144 I145 T149 G150 | Y87-G147 WeakPolarHBondContact O-CA 3.31Å; P90-G147 CarbonylContact C-O 3.54Å; A91-G147 WeakPolarHBondContact CA-O 3.38Å; A91-G147 PolarHBondContact N-O 3.45Å; N143-G147 PolarHBondContact O-N 3.28Å; L144-G147 PolarHBondContact O-N 3.43Å; I145-G147 VanDerWaalsContact C-N 3.27Å; I145-G147 PolarHBondContact O-N 3.05Å; G147-T149 PolarHBondContact O-N 2.57Å; G147-T149 VanDerWaalsContact O-N 3.14Å; G147-G150 PolarHBondContact O-N 3.15Å |
| 148 | F | 93 | Very high | 91.9 | Very high | 124 Ų | 124 | 34.4 Ų | 34.4 | 54% | 0.544 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.1 | -16.9 | 177.8 | -78.4 | -70.9 | 0 | 0 | 0 | 113.7 | P90 S94 L144 I145 | P90-F148 HydrophobicContact CB-CD1 3.92Å; P90-F148 HydrophobicContact CB-CD2 3.92Å; P90-F148 HydrophobicContact CB-CE1 3.97Å; P90-F148 HydrophobicContact CB-CE2 3.96Å; P90-F148 HydrophobicContact CB-CG 3.9Å; P90-F148 HydrophobicContact CB-CZ 3.99Å; P90-F148 HydrophobicContact CG-CD2 4.35Å; P90-F148 HydrophobicContact CG-CE2 4.11Å; P90-F148 HydrophobicContact CG-CZ 4.33Å; S94-F148 VanDerWaalsContact CB-O 3.31Å; S94-F148 WeakPolarHBondContact CB-O 3.47Å; S94-F148 PolarHBondContact OG-O 2.76Å; L144-F148 HydrophobicContact CG-CE2 4.2Å; L144-F148 VanDerWaalsContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CD2 3.41Å; L144-F148 PolarHBondContact O-N 2.84Å; I145-F148 PolarHBondContact O-N 3Å |
| 149 | T | 93.1 | Very high | 91.7 | Very high | 24 Ų | 24 | 32.5 Ų | 32.5 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 4.7 | 173.7 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | I113 G114 G117 I145 A146 G147 F151 I154 | I113-T149 HydrophobicContact CG2-CG2 3.95Å; I113-T149 WeakPolarHBondContact O-CB 3.46Å; G114-T149 WeakPolarHBondContact CA-O 3.44Å; G117-T149 VanDerWaalsContact CA-OG1 3.32Å; G117-T149 WeakPolarHBondContact CA-OG1 3.39Å; I145-T149 PolarHBondContact O-N 2.88Å; A146-T149 PolarHBondContact O-N 2.86Å; A146-T149 PolarHBondContact O-OG1 2.95Å; G147-T149 PolarHBondContact O-N 2.57Å; G147-T149 VanDerWaalsContact O-N 3.14Å; T149-F151 VanDerWaalsContact C-N 3.3Å; T149-F151 PolarHBondContact O-N 3.38Å; T149-I154 WeakPolarHBondContact O-CG2 3.25Å |
| 150 | G | 85.5 | Confident | 91.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -1.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D95 G147 L152 S153 I154 | D95-G150 VanDerWaalsContact OD1-CA 3.27Å; D95-G150 WeakPolarHBondContact OD1-CA 3.44Å; G147-G150 PolarHBondContact O-N 3.15Å; G150-L152 PolarHBondContact O-N 2.72Å; G150-S153 PolarHBondContact O-N 3.34Å; G150-I154 PolarHBondContact O-N 3.45Å |
| 151 | F | 86.8 | Confident | 91.1 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 9% | 0.092 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | 46.4 | -132.7 | 178 | -164.1 | -115.9 | 0 | 0 | 0 | 113 | Y87 M118 A146 T149 | Y87-F151 AromaticContact CD2-CD1 3.69Å; Y87-F151 HydrophobicContact CD2-CD1 3.69Å; Y87-F151 HydrophobicContact CD2-CE1 4Å; Y87-F151 HydrophobicContact CD2-CG 4.13Å; Y87-F151 AromaticContact CE2-CD1 3.95Å; Y87-F151 HydrophobicContact CE2-CD1 3.95Å; Y87-F151 AromaticContact CE2-CE1 3.99Å; Y87-F151 HydrophobicContact CE2-CE1 3.99Å; Y87-F151 HydrophobicContact CG-CD1 4.41Å; M118-F151 HydrophobicContact CG-CD2 3.76Å; M118-F151 HydrophobicContact CG-CE2 3.91Å; M118-F151 HydrophobicContact CG-CG 4.36Å; A146-F151 HydrophobicContact CB-CD2 4.13Å; A146-F151 PolarHBondContact O-N 2.96Å; T149-F151 VanDerWaalsContact C-N 3.3Å; T149-F151 PolarHBondContact O-N 3.38Å |
| 152 | L | 87.1 | Confident | 90.8 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 15% | 0.152 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.6 | -33 | 179.3 | 179.4 | 62.4 | 0 | 0 | 0 | 113.2 | L34 M118 G150 V155 L156 | L34-L152 HydrophobicContact CD1-CD2 4.49Å; L34-L152 HydrophobicContact CD2-CD2 3.58Å; M118-L152 HydrophobicContact SD-CB 4.08Å; M118-L152 HydrophobicContact SD-CD1 4.23Å; G150-L152 PolarHBondContact O-N 2.72Å; L152-V155 PolarHBondContact O-N 3.31Å; L152-L156 HydrophobicContact CD1-CD1 4.47Å; L152-L156 HydrophobicContact CG-CD1 4.2Å; L152-L156 PolarHBondContact O-N 3.01Å |
| 153 | S | 86.1 | Confident | 90.5 | Very high | 32 Ų | 32 | 29 Ų | 29 | 22% | 0.224 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -47.6 | -171.1 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | D95 G150 V155 L156 I157 | D95-S153 WeakPolarHBondContact OD2-CB 3.47Å; G150-S153 PolarHBondContact O-N 3.34Å; S153-V155 VanDerWaalsContact C-N 3.26Å; S153-V155 PolarHBondContact O-N 2.98Å; S153-L156 PolarHBondContact O-N 3.5Å; S153-I157 WeakPolarHBondContact O-CG1 3.39Å; S153-I157 PolarHBondContact O-N 3.19Å |
| 154 | I | 89 | Confident | 90.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -33.7 | -178.7 | -168.6 | 56.8 | 0 | 0 | 0 | 112.7 | D95 M98 N110 T149 G150 S158 | D95-I154 PolarHBondContact OD1-N 2.8Å; M98-I154 HydrophobicContact CB-CD1 3.49Å; M98-I154 VanDerWaalsContact CB-CD1 3.49Å; M98-I154 HydrophobicContact CB-CG1 3.87Å; M98-I154 HydrophobicContact SD-CG1 4.1Å; N110-I154 HydrophobicContact CB-CD1 4.28Å; N110-I154 HydrophobicContact CB-CG1 3.97Å; T149-I154 WeakPolarHBondContact O-CG2 3.25Å; G150-I154 PolarHBondContact O-N 3.45Å; I154-S158 WeakPolarHBondContact O-CB 3.37Å; I154-S158 PolarHBondContact O-N 2.95Å; I154-S158 PolarHBondContact O-OG 3.45Å |
| 155 | V | 92.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.8 | -43.7 | 179.3 | -177.9 | 0 | 0 | 0 | 0 | 110 | N30 I111 I115 M118 L152 S153 S159 | N30-V155 VanDerWaalsContact ND2-CG1 3.28Å; N30-V155 WeakPolarHBondContact ND2-CG1 3.4Å; I111-V155 HydrophobicContact CG2-CG1 4.37Å; I115-V155 HydrophobicContact CG1-CG1 4.48Å; I115-V155 HydrophobicContact CG1-CG2 4.06Å; M118-V155 HydrophobicContact CE-CG2 3.82Å; L152-V155 PolarHBondContact O-N 3.31Å; S153-V155 VanDerWaalsContact C-N 3.26Å; S153-V155 PolarHBondContact O-N 2.98Å; V155-S159 VanDerWaalsContact O-CB 3.26Å; V155-S159 WeakPolarHBondContact O-CB 3.3Å; V155-S159 PolarHBondContact O-N 3.45Å; V155-S159 PolarHBondContact O-OG 3.06Å |
| 156 | L | 89.6 | Confident | 89.3 | Confident | 37 Ų | 37 | 24.2 Ų | 24.2 | 19% | 0.194 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -54.3 | 175.1 | -93 | 153.7 | 0 | 0 | 0 | 112 | F31 L152 S153 S158 S159 F160 I184 | F31-L156 HydrophobicContact CE2-CD1 3.89Å; F31-L156 HydrophobicContact CE2-CD2 3.81Å; F31-L156 HydrophobicContact CE2-CG 3.96Å; F31-L156 HydrophobicContact CZ-CD1 3.64Å; F31-L156 HydrophobicContact CZ-CD2 4.06Å; F31-L156 HydrophobicContact CZ-CG 4.19Å; L152-L156 HydrophobicContact CD1-CD1 4.47Å; L152-L156 HydrophobicContact CG-CD1 4.2Å; L152-L156 PolarHBondContact O-N 3.01Å; S153-L156 PolarHBondContact O-N 3.5Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 3.49Å; L156-S159 PolarHBondContact O-N 3.36Å; L156-S159 VanDerWaalsContact O-N 3.09Å; L156-F160 HydrophobicContact CD2-CD2 4.4Å; L156-F160 HydrophobicContact CD2-CE2 3.87Å; L156-F160 WeakPolarHBondContact O-CD2 3.26Å; L156-F160 PolarHBondContact O-N 2.93Å; L156-I184 HydrophobicContact CD2-CD1 3.78Å |
| 157 | I | 85.7 | Confident | 88.9 | Confident | 79 Ų | 79 | 24.7 Ų | 24.7 | 41% | 0.405 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -57.6 | -46.5 | -177.9 | -66.5 | 167.2 | 0 | 0 | 0 | 110 | S153 S159 F160 A161 | S153-I157 WeakPolarHBondContact O-CG1 3.39Å; S153-I157 PolarHBondContact O-N 3.19Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 2.95Å; I157-F160 PolarHBondContact O-N 3.41Å; I157-A161 WeakPolarHBondContact O-CB 3.29Å; I157-A161 PolarHBondContact O-N 3.37Å |
| 158 | S | 90.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.8 | -30.5 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | N110 I154 L156 Y162 | N110-S158 VanDerWaalsContact CB-OG 3.27Å; N110-S158 WeakPolarHBondContact CB-OG 3.31Å; I154-S158 WeakPolarHBondContact O-CB 3.37Å; I154-S158 PolarHBondContact O-N 2.95Å; I154-S158 PolarHBondContact O-OG 3.45Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 3.49Å; S158-Y162 VanDerWaalsContact O-CB 3.23Å; S158-Y162 WeakPolarHBondContact O-CB 3.38Å; S158-Y162 PolarHBondContact O-N 3.23Å |
| 159 | S | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.5 | -45.1 | 175.7 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | V155 L156 I157 A161 Y162 L163 | V155-S159 VanDerWaalsContact O-CB 3.26Å; V155-S159 WeakPolarHBondContact O-CB 3.3Å; V155-S159 PolarHBondContact O-N 3.45Å; V155-S159 PolarHBondContact O-OG 3.06Å; L156-S159 PolarHBondContact O-N 3.36Å; L156-S159 VanDerWaalsContact O-N 3.09Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 2.95Å; S159-A161 VanDerWaalsContact C-N 3.34Å; S159-Y162 PolarHBondContact O-N 3.31Å; S159-L163 WeakPolarHBondContact O-CB 3.37Å; S159-L163 PolarHBondContact O-N 2.85Å |
| 160 | F | 89.2 | Confident | 87.1 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 26% | 0.259 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.3 | -82.3 | -76 | 0 | 0 | 0 | 111.8 | L156 I157 L163 A164 M177 L180 I184 | L156-F160 HydrophobicContact CD2-CD2 4.4Å; L156-F160 HydrophobicContact CD2-CE2 3.87Å; L156-F160 WeakPolarHBondContact O-CD2 3.26Å; L156-F160 PolarHBondContact O-N 2.93Å; I157-F160 PolarHBondContact O-N 3.41Å; F160-L163 PolarHBondContact O-N 2.87Å; F160-A164 PolarHBondContact O-N 2.71Å; F160-A164 VanDerWaalsContact O-N 3.15Å; F160-M177 HydrophobicContact CD1-CG 4.35Å; F160-L180 HydrophobicContact CD1-CD2 3.93Å; F160-L180 HydrophobicContact CD2-CD2 4.45Å; F160-L180 HydrophobicContact CE1-CD2 3.8Å; F160-L180 HydrophobicContact CE2-CD2 4.34Å; F160-L180 HydrophobicContact CG-CD2 4.25Å; F160-L180 HydrophobicContact CZ-CD2 4.02Å; F160-I184 HydrophobicContact CE2-CD1 4.44Å; F160-I184 HydrophobicContact CZ-CD1 4.41Å |
| 161 | A | 88.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I157 S159 L163 A164 D165 | I157-A161 WeakPolarHBondContact O-CB 3.29Å; I157-A161 PolarHBondContact O-N 3.37Å; S159-A161 VanDerWaalsContact C-N 3.34Å; A161-L163 VanDerWaalsContact C-N 3.26Å; A161-L163 PolarHBondContact O-N 3.25Å; A161-A164 WeakPolarHBondContact O-CB 3.45Å; A161-A164 PolarHBondContact O-N 2.93Å; A161-D165 PolarHBondContact O-N 3.49Å |
| 162 | Y | 91 | Very high | 86.6 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 176.8 | -172.8 | -91.3 | 0 | 0 | 0 | 111.7 | T22 V23 R107 S158 S159 A164 D165 V166 L226 D227 | T22-Y162 HydrophobicContact CG2-CE1 4.41Å; V23-Y162 HydrophobicContact CG1-CD1 3.44Å; V23-Y162 VanDerWaalsContact CG1-CD1 3.44Å; V23-Y162 HydrophobicContact CG1-CE1 4.15Å; V23-Y162 HydrophobicContact CG1-CG 4.06Å; R107-Y162 HydrophobicContact CB-CD2 3.9Å; R107-Y162 HydrophobicContact CB-CG 4.44Å; R107-Y162 HydrophobicContact CG-CD2 4.11Å; S158-Y162 VanDerWaalsContact O-CB 3.23Å; S158-Y162 WeakPolarHBondContact O-CB 3.38Å; S158-Y162 PolarHBondContact O-N 3.23Å; S159-Y162 PolarHBondContact O-N 3.31Å; Y162-A164 VanDerWaalsContact C-N 3.33Å; Y162-A164 PolarHBondContact O-N 3.27Å; Y162-D165 WeakPolarHBondContact O-CB 3.4Å; Y162-D165 PolarHBondContact O-N 3.48Å; Y162-V166 HydrophobicContact CD1-CG2 3.85Å; Y162-V166 HydrophobicContact CE1-CG2 3.51Å; Y162-V166 HydrophobicContact CG-CG2 4.5Å; Y162-V166 WeakPolarHBondContact O-CG2 3.46Å; Y162-V166 PolarHBondContact O-N 2.91Å; Y162-L226 HydrophobicContact CD1-CD2 4.2Å; Y162-L226 HydrophobicContact CE1-CD2 3.67Å; Y162-D227 PolarHBondContact OH-N 3.37Å; Y162-D227 VanDerWaalsContact OH-N 3.11Å |
| 163 | L | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 175.5 | -173.8 | 64.2 | 0 | 0 | 0 | 112.1 | V23 S159 F160 A161 D165 V166 V167 L173 R176 M177 L180 | V23-L163 HydrophobicContact CG2-CB 4.3Å; S159-L163 WeakPolarHBondContact O-CB 3.37Å; S159-L163 PolarHBondContact O-N 2.85Å; F160-L163 PolarHBondContact O-N 2.87Å; A161-L163 VanDerWaalsContact C-N 3.26Å; A161-L163 PolarHBondContact O-N 3.25Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 PolarHBondContact O-N 2.9Å; L163-V166 PolarHBondContact O-N 3.48Å; L163-V167 HydrophobicContact CD1-CG2 3.97Å; L163-V167 HydrophobicContact CG-CG2 4.49Å; L163-V167 WeakPolarHBondContact O-CG2 3.4Å; L163-V167 PolarHBondContact O-N 3.13Å; L163-L173 HydrophobicContact CG-CD1 4.1Å; L163-R176 HydrophobicContact CD1-CB 4.06Å; L163-R176 HydrophobicContact CD2-CB 3.95Å; L163-R176 HydrophobicContact CG-CB 4.36Å; L163-M177 HydrophobicContact CD2-CG 4.11Å; L163-L180 HydrophobicContact CD2-CD2 4.24Å |
| 164 | A | 86.5 | Confident | 86.1 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 20% | 0.198 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.9 | -26 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F160 A161 Y162 L173 M177 R235 | F160-A164 PolarHBondContact O-N 2.71Å; F160-A164 VanDerWaalsContact O-N 3.15Å; A161-A164 WeakPolarHBondContact O-CB 3.45Å; A161-A164 PolarHBondContact O-N 2.93Å; Y162-A164 VanDerWaalsContact C-N 3.33Å; Y162-A164 PolarHBondContact O-N 3.27Å; A164-L173 HydrophobicContact CB-CD1 4.15Å; A164-L173 HydrophobicContact CB-CD2 4.05Å; A164-M177 HydrophobicContact CB-CE 4.45Å; A164-R235 PolarHBondContact O-NH2 2.94Å |
| 165 | D | 86.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.8 | -35.7 | 175.1 | -62.4 | -25.7 | 0 | 0 | 0 | 111 | R107 A161 Y162 L163 | R107-D165 WeakPolarHBondContact CG-OD2 3.25Å; R107-D165 IonicContact CZ-OD2 2.68Å; R107-D165 IonicContact NE-OD2 3.73Å; R107-D165 PolarHBondContact NE-OD2 3.29Å; R107-D165 IonicContact NH2-OD2 3.19Å; A161-D165 PolarHBondContact O-N 3.49Å; Y162-D165 WeakPolarHBondContact O-CB 3.4Å; Y162-D165 PolarHBondContact O-N 3.48Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 PolarHBondContact O-N 2.9Å |
| 166 | V | 87.6 | Confident | 85.4 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -85.2 | -25.2 | -177.7 | -179.9 | 0 | 0 | 0 | 0 | 113.6 | T22 Y162 L163 P168 M234 I238 | T22-V166 HydrophobicContact CG2-CG1 4.05Å; Y162-V166 HydrophobicContact CD1-CG2 3.85Å; Y162-V166 HydrophobicContact CE1-CG2 3.51Å; Y162-V166 HydrophobicContact CG-CG2 4.5Å; Y162-V166 WeakPolarHBondContact O-CG2 3.46Å; Y162-V166 PolarHBondContact O-N 2.91Å; L163-V166 PolarHBondContact O-N 3.48Å; V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.3Å; V166-M234 HydrophobicContact CG2-CE 3.75Å; V166-I238 HydrophobicContact CB-CD1 4.16Å; V166-I238 HydrophobicContact CG1-CD1 3.93Å; V166-I238 HydrophobicContact CG2-CD1 4.47Å; V166-I238 VanDerWaalsContact O-CD1 3.29Å; V166-I238 WeakPolarHBondContact O-CD1 3.42Å |
| 167 | V | 86.2 | Confident | 85.1 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | trans | -108.9 | 102.1 | -176.8 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | L163 D172 L173 | L163-V167 HydrophobicContact CD1-CG2 3.97Å; L163-V167 HydrophobicContact CG-CG2 4.49Å; L163-V167 WeakPolarHBondContact O-CG2 3.4Å; L163-V167 PolarHBondContact O-N 3.13Å; V167-D172 HydrophobicContact CG1-CB 3.66Å; V167-L173 HydrophobicContact CB-CB 4.24Å; V167-L173 HydrophobicContact CB-CD1 4.17Å; V167-L173 HydrophobicContact CG1-CB 3.96Å | ||
| 168 | P | 80.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | trans | -73.7 | -30.8 | -176 | 26.8 | -32.9 | 0 | 0 | 0 | 113.2 | V166 I238 L239 | V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.3Å; P168-I238 HydrophobicContact CG-CG2 4.16Å; P168-L239 HydrophobicContact CB-CD2 4.06Å; P168-L239 HydrophobicContact CG-CD2 4.31Å | ||
| 169 | E | 83.5 | Confident | 84.9 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -84.7 | 134 | -177.2 | -70.9 | -176.3 | -179.6 | 0 | 0 | 112 | D172 L173 K242 | E169-D172 HydrophobicContact CB-CB 4.32Å; E169-L173 VanDerWaalsContact O-CB 3.28Å; E169-L173 WeakPolarHBondContact O-CB 3.23Å; E169-L173 PolarHBondContact O-N 3.47Å; E169-K242 IonicContact OE1-NZ 3.66Å; E169-K242 PolarHBondContact OE1-NZ 3.45Å; E169-K242 IonicContact OE2-NZ 3.91Å |
| 170 | K | 77.3 | Confident | 84.8 | Confident | 176 Ų | 176 | 53.9 Ų | 53.9 | 77% | 0.765 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.6 | -38.3 | -174.1 | -69.5 | -177 | 178.4 | 178.2 | 0 | 113.2 | L173 T174 | K170-L173 PolarHBondContact O-N 3.25Å; K170-T174 PolarHBondContact O-N 2.99Å; K170-T174 PolarHBondContact O-OG1 3.26Å |
| 171 | E | 77.8 | Confident | 84.7 | Confident | 163 Ų | 163 | 55.8 Ų | 55.8 | 76% | 0.762 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.8 | -47.1 | -179.5 | -65.7 | -173.1 | 173.2 | 0 | 0 | 111 | L173 T174 T175 | E171-L173 PolarHBondContact O-N 3.47Å; E171-T174 PolarHBondContact O-N 3.34Å; E171-T175 PolarHBondContact O-N 3.41Å; E171-T175 PolarHBondContact O-OG1 3.41Å |
| 172 | D | 82.6 | Confident | 84.8 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 174.9 | -74.5 | -7.6 | 0 | 0 | 0 | 111.7 | V167 E169 T174 T175 R176 | V167-D172 HydrophobicContact CG1-CB 3.66Å; E169-D172 HydrophobicContact CB-CB 4.32Å; D172-T174 PolarHBondContact O-N 3.46Å; D172-T175 PolarHBondContact O-N 3.23Å; D172-R176 WeakPolarHBondContact O-CG 3.3Å; D172-R176 PolarHBondContact O-N 3.48Å |
| 173 | L | 84.1 | Confident | 84.9 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.5 | 177.9 | 58.9 | 0 | 0 | 0 | 111.2 | L163 A164 V167 E169 K170 E171 T175 R176 M177 | L163-L173 HydrophobicContact CG-CD1 4.1Å; A164-L173 HydrophobicContact CB-CD1 4.15Å; A164-L173 HydrophobicContact CB-CD2 4.05Å; V167-L173 HydrophobicContact CB-CB 4.24Å; V167-L173 HydrophobicContact CB-CD1 4.17Å; V167-L173 HydrophobicContact CG1-CB 3.96Å; E169-L173 VanDerWaalsContact O-CB 3.28Å; E169-L173 WeakPolarHBondContact O-CB 3.23Å; E169-L173 PolarHBondContact O-N 3.47Å; K170-L173 PolarHBondContact O-N 3.25Å; E171-L173 PolarHBondContact O-N 3.47Å; L173-T175 VanDerWaalsContact C-N 3.31Å; L173-T175 PolarHBondContact O-N 3.01Å; L173-R176 PolarHBondContact O-N 3.43Å; L173-M177 HydrophobicContact CD1-CE 3.76Å; L173-M177 HydrophobicContact CD1-CG 4.12Å; L173-M177 HydrophobicContact CD1-SD 4.44Å; L173-M177 HydrophobicContact CD2-CE 4.02Å; L173-M177 HydrophobicContact CG-CE 3.84Å; L173-M177 HydrophobicContact CG-CG 4.42Å; L173-M177 HydrophobicContact CG-SD 4.28Å; L173-M177 WeakPolarHBondContact O-CB 3.47Å; L173-M177 VanDerWaalsContact O-CG 3.29Å; L173-M177 WeakPolarHBondContact O-CG 3.22Å; L173-M177 PolarHBondContact O-N 3.19Å |
| 174 | T | 79.7 | Confident | 85.1 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 53% | 0.534 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | K170 E171 D172 M177 V178 | K170-T174 PolarHBondContact O-N 2.99Å; K170-T174 PolarHBondContact O-OG1 3.26Å; E171-T174 PolarHBondContact O-N 3.34Å; D172-T174 PolarHBondContact O-N 3.46Å; T174-M177 PolarHBondContact O-N 2.94Å; T174-V178 WeakPolarHBondContact O-CG2 3.49Å; T174-V178 PolarHBondContact O-N 2.71Å; T174-V178 VanDerWaalsContact O-N 3.08Å |
| 175 | T | 82.2 | Confident | 85.4 | Confident | 81 Ų | 81 | 61 Ų | 61 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.6 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | E171 D172 L173 V178 I179 | E171-T175 PolarHBondContact O-N 3.41Å; E171-T175 PolarHBondContact O-OG1 3.41Å; D172-T175 PolarHBondContact O-N 3.23Å; L173-T175 VanDerWaalsContact C-N 3.31Å; L173-T175 PolarHBondContact O-N 3.01Å; T175-V178 PolarHBondContact O-N 2.89Å; T175-I179 HydrophobicContact CG2-CD1 4.2Å; T175-I179 WeakPolarHBondContact O-CG1 3.44Å; T175-I179 PolarHBondContact O-N 2.86Å |
| 176 | R | 84.5 | Confident | 85.8 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.5 | -34.3 | 178.5 | -71.6 | -169.3 | 66.2 | 173.4 | 5 | 113.4 | E20 T22 E24 L163 D172 L173 V178 I179 L180 | E20-R176 PolarHBondContact O-NH1 2.9Å; E20-R176 PolarHBondContact O-NH2 3.36Å; T22-R176 PolarHBondContact OG1-NH2 2.94Å; E24-R176 IonicContact OE1-CZ 3.82Å; E24-R176 IonicContact OE1-NE 2.57Å; E24-R176 PolarHBondContact OE1-NE 2.85Å; E24-R176 IonicContact OE1-NH2 2.65Å; E24-R176 PolarHBondContact OE1-NH2 3.39Å; E24-R176 IonicContact OE2-NH2 3.76Å; E24-R176 PolarHBondContact OE2-NH2 3.47Å; L163-R176 HydrophobicContact CD1-CB 4.06Å; L163-R176 HydrophobicContact CD2-CB 3.95Å; L163-R176 HydrophobicContact CG-CB 4.36Å; D172-R176 WeakPolarHBondContact O-CG 3.3Å; D172-R176 PolarHBondContact O-N 3.48Å; L173-R176 PolarHBondContact O-N 3.43Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 2.93Å; R176-I179 PolarHBondContact O-N 3.29Å; R176-L180 WeakPolarHBondContact O-CB 3.37Å; R176-L180 PolarHBondContact O-N 3.3Å |
| 177 | M | 83 | Confident | 86.2 | Confident | 66 Ų | 66 | 61 Ų | 61 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 171.8 | -75.8 | -176.4 | 172.9 | 0 | 0 | 111.4 | F160 L163 A164 L173 T174 L180 Q181 | F160-M177 HydrophobicContact CD1-CG 4.35Å; L163-M177 HydrophobicContact CD2-CG 4.11Å; A164-M177 HydrophobicContact CB-CE 4.45Å; L173-M177 HydrophobicContact CD1-CE 3.76Å; L173-M177 HydrophobicContact CD1-CG 4.12Å; L173-M177 HydrophobicContact CD1-SD 4.44Å; L173-M177 HydrophobicContact CD2-CE 4.02Å; L173-M177 HydrophobicContact CG-CE 3.84Å; L173-M177 HydrophobicContact CG-CG 4.42Å; L173-M177 HydrophobicContact CG-SD 4.28Å; L173-M177 WeakPolarHBondContact O-CB 3.47Å; L173-M177 VanDerWaalsContact O-CG 3.29Å; L173-M177 WeakPolarHBondContact O-CG 3.22Å; L173-M177 PolarHBondContact O-N 3.19Å; T174-M177 PolarHBondContact O-N 2.94Å; M177-L180 PolarHBondContact O-N 3.18Å; M177-Q181 PolarHBondContact O-N 3.48Å; M177-Q181 VanDerWaalsContact O-N 3.09Å |
| 178 | V | 84.7 | Confident | 86.6 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | T174 T175 R176 L180 Q181 M182 | T174-V178 WeakPolarHBondContact O-CG2 3.49Å; T174-V178 PolarHBondContact O-N 2.71Å; T174-V178 VanDerWaalsContact O-N 3.08Å; T175-V178 PolarHBondContact O-N 2.89Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 2.93Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.07Å; V178-Q181 WeakPolarHBondContact O-CB 3.46Å; V178-Q181 PolarHBondContact O-N 3.5Å; V178-M182 HydrophobicContact CG1-CE 4.3Å; V178-M182 WeakPolarHBondContact O-CG 3.29Å; V178-M182 PolarHBondContact O-N 3.08Å |
| 179 | I | 87.9 | Confident | 87.3 | Confident | 52 Ų | 52 | 61 Ų | 61 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 174.4 | -67.3 | 165.8 | 0 | 0 | 0 | 110.7 | T175 R176 Q181 M182 V183 | T175-I179 HydrophobicContact CG2-CD1 4.2Å; T175-I179 WeakPolarHBondContact O-CG1 3.44Å; T175-I179 PolarHBondContact O-N 2.86Å; R176-I179 PolarHBondContact O-N 3.29Å; I179-Q181 VanDerWaalsContact C-N 3.27Å; I179-Q181 PolarHBondContact O-N 3.11Å; I179-M182 HydrophobicContact CB-CE 4.26Å; I179-M182 HydrophobicContact CG1-CE 3.83Å; I179-M182 WeakPolarHBondContact O-CA 3.36Å; I179-M182 WeakPolarHBondContact O-CB 3.35Å; I179-M182 PolarHBondContact O-N 3.23Å; I179-V183 HydrophobicContact CG2-CG2 4.33Å; I179-V183 WeakPolarHBondContact O-CG2 3.37Å; I179-V183 PolarHBondContact O-N 3.39Å |
| 180 | L | 89.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 179 | -167.9 | 66 | 0 | 0 | 0 | 111.8 | V23 E24 V27 F160 L163 R176 M177 V178 V183 I184 | V23-L180 HydrophobicContact CG2-CD1 4.22Å; V23-L180 HydrophobicContact CG2-CD2 4.38Å; E24-L180 HydrophobicContact CB-CD1 4.36Å; E24-L180 HydrophobicContact CG-CD1 4Å; V27-L180 HydrophobicContact CB-CD1 3.94Å; V27-L180 HydrophobicContact CG1-CD1 4.15Å; V27-L180 HydrophobicContact CG2-CD1 3.96Å; F160-L180 HydrophobicContact CD1-CD2 3.93Å; F160-L180 HydrophobicContact CD2-CD2 4.45Å; F160-L180 HydrophobicContact CE1-CD2 3.8Å; F160-L180 HydrophobicContact CE2-CD2 4.34Å; F160-L180 HydrophobicContact CG-CD2 4.25Å; F160-L180 HydrophobicContact CZ-CD2 4.02Å; L163-L180 HydrophobicContact CD2-CD2 4.24Å; R176-L180 WeakPolarHBondContact O-CB 3.37Å; R176-L180 PolarHBondContact O-N 3.3Å; M177-L180 PolarHBondContact O-N 3.18Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.07Å; L180-V183 WeakPolarHBondContact O-CB 3.49Å; L180-V183 PolarHBondContact O-N 2.9Å; L180-I184 WeakPolarHBondContact O-CG1 3.43Å; L180-I184 PolarHBondContact O-N 3.4Å |
| 181 | Q | 87.2 | Confident | 88.9 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 46% | 0.458 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66 | -37 | 175.1 | -168.3 | 62.4 | 37.8 | 0 | 0 | 112.9 | M177 V178 I179 V183 I184 S185 | M177-Q181 PolarHBondContact O-N 3.48Å; M177-Q181 VanDerWaalsContact O-N 3.09Å; V178-Q181 WeakPolarHBondContact O-CB 3.46Å; V178-Q181 PolarHBondContact O-N 3.5Å; I179-Q181 VanDerWaalsContact C-N 3.27Å; I179-Q181 PolarHBondContact O-N 3.11Å; Q181-V183 VanDerWaalsContact C-N 3.35Å; Q181-I184 PolarHBondContact O-N 2.8Å; Q181-S185 PolarHBondContact O-N 2.92Å; Q181-S185 VanDerWaalsContact O-N 3.1Å; Q181-S185 PolarHBondContact O-OG 2.83Å |
| 182 | M | 89.3 | Confident | 89.7 | Confident | 103 Ų | 103 | 45.4 Ų | 45.4 | 51% | 0.507 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 172.9 | -67.2 | -171.7 | -68.7 | 0 | 0 | 111.3 | V178 I179 S185 A186 | V178-M182 HydrophobicContact CG1-CE 4.3Å; V178-M182 WeakPolarHBondContact O-CG 3.29Å; V178-M182 PolarHBondContact O-N 3.08Å; I179-M182 HydrophobicContact CB-CE 4.26Å; I179-M182 HydrophobicContact CG1-CE 3.83Å; I179-M182 WeakPolarHBondContact O-CA 3.36Å; I179-M182 WeakPolarHBondContact O-CB 3.35Å; I179-M182 PolarHBondContact O-N 3.23Å; M182-S185 PolarHBondContact O-N 2.68Å; M182-A186 WeakPolarHBondContact O-CB 3.39Å; M182-A186 PolarHBondContact O-N 3.04Å |
| 183 | V | 93.7 | Very high | 90.4 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | E24 F28 I179 L180 Q181 S185 A186 A187 | E24-V183 HydrophobicContact CB-CG2 4.42Å; F28-V183 HydrophobicContact CB-CG1 3.53Å; F28-V183 HydrophobicContact CD2-CG1 3.88Å; F28-V183 HydrophobicContact CG-CG1 4.19Å; I179-V183 HydrophobicContact CG2-CG2 4.33Å; I179-V183 WeakPolarHBondContact O-CG2 3.37Å; I179-V183 PolarHBondContact O-N 3.39Å; L180-V183 WeakPolarHBondContact O-CB 3.49Å; L180-V183 PolarHBondContact O-N 2.9Å; Q181-V183 VanDerWaalsContact C-N 3.35Å; V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.39Å; V183-A186 PolarHBondContact O-N 3.24Å; V183-A187 VanDerWaalsContact O-CB 3.32Å; V183-A187 WeakPolarHBondContact O-CB 3.48Å; V183-A187 PolarHBondContact O-N 3.28Å |
| 184 | I | 92.8 | Very high | 91 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 174.8 | -69.4 | 166.9 | 0 | 0 | 0 | 110.6 | V27 F31 L156 F160 L180 Q181 A187 A188 | V27-I184 HydrophobicContact CG1-CD1 3.94Å; V27-I184 HydrophobicContact CG1-CG1 3.33Å; F31-I184 HydrophobicContact CD1-CG2 3.79Å; F31-I184 HydrophobicContact CD2-CB 4.47Å; F31-I184 HydrophobicContact CD2-CG1 4.01Å; F31-I184 HydrophobicContact CD2-CG2 4.08Å; F31-I184 HydrophobicContact CE1-CG2 3.58Å; F31-I184 HydrophobicContact CE2-CB 4.45Å; F31-I184 HydrophobicContact CE2-CD1 4.15Å; F31-I184 HydrophobicContact CE2-CG1 3.83Å; F31-I184 HydrophobicContact CE2-CG2 3.9Å; F31-I184 HydrophobicContact CG-CG2 4Å; F31-I184 HydrophobicContact CZ-CD1 4.43Å; F31-I184 HydrophobicContact CZ-CG1 4.31Å; F31-I184 HydrophobicContact CZ-CG2 3.6Å; L156-I184 HydrophobicContact CD2-CD1 3.78Å; F160-I184 HydrophobicContact CE2-CD1 4.44Å; F160-I184 HydrophobicContact CZ-CD1 4.41Å; L180-I184 WeakPolarHBondContact O-CG1 3.43Å; L180-I184 PolarHBondContact O-N 3.4Å; Q181-I184 PolarHBondContact O-N 2.8Å; I184-A187 PolarHBondContact O-N 2.88Å; I184-A188 PolarHBondContact O-N 2.81Å |
| 185 | S | 92.2 | Very high | 91.8 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | -178.3 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | Q181 M182 V183 A188 V189 T369 | Q181-S185 PolarHBondContact O-N 2.92Å; Q181-S185 VanDerWaalsContact O-N 3.1Å; Q181-S185 PolarHBondContact O-OG 2.83Å; M182-S185 PolarHBondContact O-N 2.68Å; V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.39Å; S185-A188 PolarHBondContact O-N 3.37Å; S185-V189 WeakPolarHBondContact O-CG2 3.31Å; S185-V189 PolarHBondContact O-N 3.26Å; S185-V189 VanDerWaalsContact O-N 3.08Å; S185-T369 WeakPolarHBondContact CB-OG1 3.47Å; S185-T369 PolarHBondContact OG-OG1 3.13Å |
| 186 | A | 94.8 | Very high | 92.5 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 35% | 0.347 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M182 V183 A188 V189 I190 | M182-A186 WeakPolarHBondContact O-CB 3.39Å; M182-A186 PolarHBondContact O-N 3.04Å; V183-A186 PolarHBondContact O-N 3.24Å; A186-A188 VanDerWaalsContact C-N 3.32Å; A186-A188 PolarHBondContact O-N 3.01Å; A186-V189 PolarHBondContact O-N 3.19Å; A186-I190 WeakPolarHBondContact O-CB 3.48Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.36Å; A186-I190 PolarHBondContact O-N 2.87Å |
| 187 | A | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | F28 F31 V183 I184 G191 | F28-A187 HydrophobicContact CD2-CB 3.61Å; F28-A187 HydrophobicContact CE2-CB 3.88Å; F28-A187 HydrophobicContact CG-CB 4.2Å; F28-A187 WeakPolarHBondContact O-CB 3.29Å; F31-A187 HydrophobicContact CB-CB 3.67Å; V183-A187 VanDerWaalsContact O-CB 3.32Å; V183-A187 WeakPolarHBondContact O-CB 3.48Å; V183-A187 PolarHBondContact O-N 3.28Å; I184-A187 PolarHBondContact O-N 2.88Å; A187-G191 WeakPolarHBondContact O-CA 3.41Å; A187-G191 PolarHBondContact O-N 2.81Å |
| 188 | A | 93.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I184 S185 A186 S192 A365 | I184-A188 PolarHBondContact O-N 2.81Å; S185-A188 PolarHBondContact O-N 3.37Å; A186-A188 VanDerWaalsContact C-N 3.32Å; A186-A188 PolarHBondContact O-N 3.01Å; A188-S192 WeakPolarHBondContact O-CB 3.45Å; A188-S192 PolarHBondContact O-N 3.45Å; A188-S192 PolarHBondContact O-OG 2.97Å; A188-A365 HydrophobicContact CB-CB 4.24Å |
| 189 | V | 96 | Very high | 94.2 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -56.1 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | S185 A186 G191 S192 I193 A365 F366 | S185-V189 WeakPolarHBondContact O-CG2 3.31Å; S185-V189 PolarHBondContact O-N 3.26Å; S185-V189 VanDerWaalsContact O-N 3.08Å; A186-V189 PolarHBondContact O-N 3.19Å; V189-G191 VanDerWaalsContact C-N 3.34Å; V189-G191 PolarHBondContact O-N 3.14Å; V189-S192 PolarHBondContact O-N 3.3Å; V189-I193 HydrophobicContact CG1-CD1 3.87Å; V189-I193 WeakPolarHBondContact O-CG1 3.43Å; V189-I193 PolarHBondContact O-N 3.17Å; V189-I193 VanDerWaalsContact O-N 3.12Å; V189-A365 HydrophobicContact CG2-CB 3.68Å; V189-F366 HydrophobicContact CG1-CB 4.31Å; V189-F366 HydrophobicContact CG2-CB 3.93Å |
| 190 | I | 97.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 40.7 Ų | 40.7 | 46% | 0.456 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -48.5 | -177.8 | -65.1 | 167.6 | 0 | 0 | 0 | 109.5 | F28 L32 A186 S192 I193 S194 | F28-I190 HydrophobicContact CE2-CD1 4.2Å; F28-I190 HydrophobicContact CZ-CD1 4.18Å; L32-I190 HydrophobicContact CD1-CB 4.41Å; L32-I190 HydrophobicContact CD1-CG2 4.07Å; A186-I190 WeakPolarHBondContact O-CB 3.48Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.36Å; A186-I190 PolarHBondContact O-N 2.87Å; I190-S192 PolarHBondContact O-N 3.41Å; I190-I193 PolarHBondContact O-N 3.46Å; I190-S194 VanDerWaalsContact O-CB 3.29Å; I190-S194 WeakPolarHBondContact O-CB 3.27Å; I190-S194 PolarHBondContact O-N 3.38Å; I190-S194 PolarHBondContact O-OG 3.03Å; I190-S194 VanDerWaalsContact O-OG 3.04Å |
| 191 | G | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A187 V189 S194 A195 | A187-G191 WeakPolarHBondContact O-CA 3.41Å; A187-G191 PolarHBondContact O-N 2.81Å; V189-G191 VanDerWaalsContact C-N 3.34Å; V189-G191 PolarHBondContact O-N 3.14Å; G191-S194 PolarHBondContact O-OG 3.38Å; G191-A195 WeakPolarHBondContact O-CA 3.42Å; G191-A195 WeakPolarHBondContact O-CB 3.47Å; G191-A195 PolarHBondContact O-N 2.82Å |
| 192 | S | 95.9 | Very high | 95 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.6 | -36.8 | -178.9 | -57 | 0 | 0 | 0 | 0 | 112 | A188 V189 I190 A196 S358 G362 | A188-S192 WeakPolarHBondContact O-CB 3.45Å; A188-S192 PolarHBondContact O-N 3.45Å; A188-S192 PolarHBondContact O-OG 2.97Å; V189-S192 PolarHBondContact O-N 3.3Å; I190-S192 PolarHBondContact O-N 3.41Å; S192-A196 WeakPolarHBondContact O-CB 3.41Å; S192-A196 PolarHBondContact O-N 3.15Å; S192-S358 WeakPolarHBondContact CB-O 3.46Å; S192-S358 PolarHBondContact O-OG 3.42Å; S192-G362 VanDerWaalsContact CB-CA 3.48Å; S192-G362 VanDerWaalsContact CB-N 3.28Å |
| 193 | I | 96.3 | Very high | 95.1 | Very high | 84 Ų | 84 | 43.4 Ų | 43.4 | 43% | 0.431 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.1 | -45.9 | 175.9 | -64.8 | 171.4 | 0 | 0 | 0 | 110.4 | V189 I190 A196 A197 | V189-I193 HydrophobicContact CG1-CD1 3.87Å; V189-I193 WeakPolarHBondContact O-CG1 3.43Å; V189-I193 PolarHBondContact O-N 3.17Å; V189-I193 VanDerWaalsContact O-N 3.12Å; I190-I193 PolarHBondContact O-N 3.46Å; I193-A196 WeakPolarHBondContact O-CB 3.34Å; I193-A196 PolarHBondContact O-N 3.09Å; I193-A197 PolarHBondContact O-N 2.94Å; I193-A197 VanDerWaalsContact O-N 3.1Å |
| 194 | S | 96.8 | Very high | 95 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 179 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | Y36 I190 G191 A196 A197 C198 | Y36-S194 VanDerWaalsContact CE2-OG 3.31Å; Y36-S194 WeakPolarHBondContact CE2-OG 3.36Å; Y36-S194 VanDerWaalsContact OH-CB 3.29Å; Y36-S194 WeakPolarHBondContact OH-CB 3.33Å; Y36-S194 PolarHBondContact OH-OG 3.41Å; I190-S194 VanDerWaalsContact O-CB 3.29Å; I190-S194 WeakPolarHBondContact O-CB 3.27Å; I190-S194 PolarHBondContact O-N 3.38Å; I190-S194 PolarHBondContact O-OG 3.03Å; I190-S194 VanDerWaalsContact O-OG 3.04Å; G191-S194 PolarHBondContact O-OG 3.38Å; S194-A196 VanDerWaalsContact C-N 3.3Å; S194-A196 PolarHBondContact O-N 3Å; S194-A197 PolarHBondContact O-N 3.03Å; S194-C198 PolarHBondContact O-N 3.06Å; S194-C198 PolarHBondContact O-SG 2.85Å; S194-C198 VanDerWaalsContact O-SG 3.37Å |
| 195 | A | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y36 G191 A197 C198 I199 | Y36-A195 HydrophobicContact CD1-CB 4.13Å; Y36-A195 HydrophobicContact CD2-CB 4.19Å; Y36-A195 HydrophobicContact CE1-CB 4.22Å; Y36-A195 HydrophobicContact CE2-CB 4.29Å; Y36-A195 HydrophobicContact CG-CB 4.1Å; G191-A195 WeakPolarHBondContact O-CA 3.42Å; G191-A195 WeakPolarHBondContact O-CB 3.47Å; G191-A195 PolarHBondContact O-N 2.82Å; A195-A197 PolarHBondContact O-N 3Å; A195-C198 PolarHBondContact O-N 3.42Å; A195-I199 WeakPolarHBondContact O-CB 3.47Å; A195-I199 WeakPolarHBondContact O-CD1 3.32Å; A195-I199 WeakPolarHBondContact O-CG1 3.46Å; A195-I199 PolarHBondContact O-N 3.21Å |
| 196 | A | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S192 I193 S194 C198 I199 R200 S358 L359 | S192-A196 WeakPolarHBondContact O-CB 3.41Å; S192-A196 PolarHBondContact O-N 3.15Å; I193-A196 WeakPolarHBondContact O-CB 3.34Å; I193-A196 PolarHBondContact O-N 3.09Å; S194-A196 VanDerWaalsContact C-N 3.3Å; S194-A196 PolarHBondContact O-N 3Å; A196-C198 VanDerWaalsContact C-N 3.3Å; A196-C198 PolarHBondContact O-N 3.41Å; A196-I199 PolarHBondContact O-N 2.97Å; A196-R200 PolarHBondContact O-N 3.38Å; A196-R200 VanDerWaalsContact O-N 3.09Å; A196-S358 PolarHBondContact N-OG 3.36Å; A196-L359 HydrophobicContact CB-CB 4.44Å; A196-L359 HydrophobicContact CB-CD2 3.6Å; A196-L359 HydrophobicContact CB-CG 3.58Å |
| 197 | A | 96.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I193 S194 A195 R200 I201 | I193-A197 PolarHBondContact O-N 2.94Å; I193-A197 VanDerWaalsContact O-N 3.1Å; S194-A197 PolarHBondContact O-N 3.03Å; A195-A197 PolarHBondContact O-N 3Å; A197-R200 WeakPolarHBondContact O-CB 3.47Å; A197-R200 PolarHBondContact O-N 3.3Å; A197-I201 WeakPolarHBondContact O-CG1 3.35Å |
| 198 | C | 96.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.4 | -67.7 | 0 | 0 | 0 | 0 | 112.7 | Y36 S194 A195 A196 R200 I201 M202 V207 | Y36-C198 HydrophobicContact CE1-CB 4.09Å; S194-C198 PolarHBondContact O-N 3.06Å; S194-C198 PolarHBondContact O-SG 2.85Å; S194-C198 VanDerWaalsContact O-SG 3.37Å; A195-C198 PolarHBondContact O-N 3.42Å; A196-C198 VanDerWaalsContact C-N 3.3Å; A196-C198 PolarHBondContact O-N 3.41Å; C198-R200 PolarHBondContact O-N 3.21Å; C198-I201 WeakPolarHBondContact O-CG1 3.36Å; C198-I201 PolarHBondContact O-N 3.09Å; C198-I201 VanDerWaalsContact O-N 3.12Å; C198-M202 HydrophobicContact CB-SD 4.31Å; C198-M202 VanDerWaalsContact O-CB 3.26Å; C198-M202 WeakPolarHBondContact O-CB 3.32Å; C198-M202 PolarHBondContact O-N 3.47Å; C198-V207 HydrophobicContact CB-CG2 4.23Å |
| 199 | I | 95.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -33.7 | 179.1 | -72.9 | 162.9 | 0 | 0 | 0 | 111.5 | V39 P40 A195 A196 I201 M202 V207 A354 E355 | V39-I199 HydrophobicContact CG1-CD1 4.41Å; P40-I199 HydrophobicContact CG-CD1 3.93Å; P40-I199 HydrophobicContact CG-CG1 4.17Å; A195-I199 WeakPolarHBondContact O-CB 3.47Å; A195-I199 WeakPolarHBondContact O-CD1 3.32Å; A195-I199 WeakPolarHBondContact O-CG1 3.46Å; A195-I199 PolarHBondContact O-N 3.21Å; A196-I199 PolarHBondContact O-N 2.97Å; I199-I201 VanDerWaalsContact C-N 3.28Å; I199-I201 PolarHBondContact O-N 3.1Å; I199-M202 VanDerWaalsContact O-O 3.12Å; I199-V207 HydrophobicContact CG1-CB 4.44Å; I199-V207 HydrophobicContact CG1-CG1 4Å; I199-V207 HydrophobicContact CG1-CG2 3.95Å; I199-A354 HydrophobicContact CG2-CB 3.57Å; I199-E355 HydrophobicContact CG2-CB 4.35Å |
| 200 | R | 93.3 | Very high | 95.6 | Very high | 180 Ų | 180 | 49.4 Ų | 49.4 | 68% | 0.679 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.8 | -35.3 | 176.6 | -174.7 | -176.5 | 176.9 | 123.9 | -6.7 | 113 | A196 A197 C198 E355 | A196-R200 PolarHBondContact O-N 3.38Å; A196-R200 VanDerWaalsContact O-N 3.09Å; A197-R200 WeakPolarHBondContact O-CB 3.47Å; A197-R200 PolarHBondContact O-N 3.3Å; C198-R200 PolarHBondContact O-N 3.21Å; R200-E355 HydrophobicContact CB-CG 4.5Å; R200-E355 WeakPolarHBondContact CD-OE1 3.37Å; R200-E355 WeakPolarHBondContact CG-OE2 3.44Å; R200-E355 IonicContact NH1-OE1 3.21Å; R200-E355 PolarHBondContact NH1-OE1 3.48Å; R200-E355 VanDerWaalsContact NH1-OE1 3.1Å |
| 201 | I | 94.4 | Very high | 95.6 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 70% | 0.703 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -107.2 | -16.7 | -173.1 | 55.8 | 161.8 | 0 | 0 | 0 | 113.9 | A197 C198 I199 | A197-I201 WeakPolarHBondContact O-CG1 3.35Å; C198-I201 WeakPolarHBondContact O-CG1 3.36Å; C198-I201 PolarHBondContact O-N 3.09Å; C198-I201 VanDerWaalsContact O-N 3.12Å; I199-I201 VanDerWaalsContact C-N 3.28Å; I199-I201 PolarHBondContact O-N 3.1Å |
| 202 | M | 93.9 | Very high | 95.6 | Very high | 58 Ų | 58 | 46 Ų | 46 | 29% | 0.286 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -126.8 | 151.9 | -171.6 | -66.6 | 164.2 | 76.7 | 0 | 0 | 111.4 | C198 I199 K206 V207 I210 | C198-M202 HydrophobicContact CB-SD 4.31Å; C198-M202 VanDerWaalsContact O-CB 3.26Å; C198-M202 WeakPolarHBondContact O-CB 3.32Å; C198-M202 PolarHBondContact O-N 3.47Å; I199-M202 VanDerWaalsContact O-O 3.12Å; M202-K206 HydrophobicContact CB-CB 4.13Å; M202-K206 HydrophobicContact CB-CD 4.5Å; M202-K206 HydrophobicContact CE-CB 3.55Å; M202-K206 HydrophobicContact CE-CD 4.37Å; M202-V207 HydrophobicContact CB-CG2 3.99Å; M202-I210 HydrophobicContact CE-CD1 3.74Å; M202-I210 HydrophobicContact CE-CG1 4.42Å; M202-I210 HydrophobicContact SD-CD1 4.13Å |
| 203 | S | 91.3 | Very high | 95.7 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | trans | -69.1 | 154.8 | 171.7 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | V205 K206 V207 | S203-V205 PolarHBondContact O-N 3.35Å; S203-V205 VanDerWaalsContact O-N 3.09Å; S203-K206 PolarHBondContact O-N 3.38Å; S203-V207 PolarHBondContact O-N 3.38Å; S203-V207 VanDerWaalsContact O-N 3.12Å | ||
| 204 | N | 90.2 | Very high | 95.7 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -49.6 | -39.1 | 177.5 | -70.9 | 0.2 | 0 | 0 | 0 | 113.1 | P40 T43 G44 K206 V207 I208 | P40-N204 HydrophobicContact CB-CB 4.11Å; T43-N204 PolarHBondContact OG1-ND2 2.81Å; T43-N204 VanDerWaalsContact OG1-ND2 3.12Å; G44-N204 WeakPolarHBondContact CA-ND2 3.27Å; G44-N204 PolarHBondContact N-ND2 2.89Å; N204-K206 PolarHBondContact O-N 2.96Å; N204-V207 PolarHBondContact O-N 3.03Å; N204-I208 VanDerWaalsContact O-CG1 3.29Å; N204-I208 WeakPolarHBondContact O-CG1 3.18Å; N204-I208 PolarHBondContact O-N 3.45Å |
| 205 | V | 95.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | M126 F129 A130 S203 V207 I208 C209 | M126-V205 HydrophobicContact CG-CG1 3.63Å; F129-V205 HydrophobicContact CB-CG2 3.8Å; A130-V205 HydrophobicContact CB-CG1 4.08Å; A130-V205 HydrophobicContact CB-CG2 4.34Å; S203-V205 PolarHBondContact O-N 3.35Å; S203-V205 VanDerWaalsContact O-N 3.09Å; V205-V207 VanDerWaalsContact C-N 3.35Å; V205-V207 PolarHBondContact O-N 3.35Å; V205-I208 PolarHBondContact O-N 3.1Å; V205-C209 PolarHBondContact O-N 2.89Å |
| 206 | K | 96 | Very high | 95.7 | Very high | 125 Ų | 125 | 48.2 Ų | 48.2 | 54% | 0.543 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.1 | -34.1 | -179.3 | -65.4 | -179.4 | 179 | -179.3 | 0 | 111.7 | M202 S203 N204 C209 I210 | M202-K206 HydrophobicContact CB-CB 4.13Å; M202-K206 HydrophobicContact CB-CD 4.5Å; M202-K206 HydrophobicContact CE-CB 3.55Å; M202-K206 HydrophobicContact CE-CD 4.37Å; S203-K206 PolarHBondContact O-N 3.38Å; N204-K206 PolarHBondContact O-N 2.96Å; K206-C209 WeakPolarHBondContact O-CB 2.92Å; K206-C209 PolarHBondContact O-N 3.44Å; K206-I210 PolarHBondContact O-N 2.85Å |
| 207 | V | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 175.6 | -176 | 0 | 0 | 0 | 0 | 111.1 | Y36 P40 C198 I199 M202 S203 N204 V205 C209 I210 G211 | Y36-V207 HydrophobicContact CD1-CG1 3.68Å; Y36-V207 HydrophobicContact CE1-CG1 4.41Å; P40-V207 HydrophobicContact CG-CB 4.09Å; P40-V207 HydrophobicContact CG-CG1 3.7Å; C198-V207 HydrophobicContact CB-CG2 4.23Å; I199-V207 HydrophobicContact CG1-CB 4.44Å; I199-V207 HydrophobicContact CG1-CG1 4Å; I199-V207 HydrophobicContact CG1-CG2 3.95Å; M202-V207 HydrophobicContact CB-CG2 3.99Å; S203-V207 PolarHBondContact O-N 3.38Å; S203-V207 VanDerWaalsContact O-N 3.12Å; N204-V207 PolarHBondContact O-N 3.03Å; V205-V207 VanDerWaalsContact C-N 3.35Å; V205-V207 PolarHBondContact O-N 3.35Å; V207-C209 VanDerWaalsContact C-N 3.27Å; V207-C209 PolarHBondContact O-N 3.4Å; V207-I210 WeakPolarHBondContact O-CB 3.37Å; V207-I210 PolarHBondContact O-N 3.21Å; V207-I210 VanDerWaalsContact O-N 3.15Å; V207-G211 PolarHBondContact O-N 3.46Å |
| 208 | I | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 174 | -68.9 | 168.3 | 0 | 0 | 0 | 110.8 | F37 P40 T125 M126 F129 N204 V205 I210 G211 V212 | F37-I208 HydrophobicContact CD2-CG1 4.37Å; F37-I208 HydrophobicContact CD2-CG2 4.13Å; F37-I208 HydrophobicContact CE2-CG2 4.45Å; P40-I208 HydrophobicContact CB-CD1 4.04Å; P40-I208 HydrophobicContact CB-CG1 3.72Å; T125-I208 HydrophobicContact CG2-CD1 4.1Å; M126-I208 HydrophobicContact CB-CG2 3.98Å; F129-I208 HydrophobicContact CD2-CD1 3.72Å; F129-I208 HydrophobicContact CE2-CD1 3.89Å; N204-I208 VanDerWaalsContact O-CG1 3.29Å; N204-I208 WeakPolarHBondContact O-CG1 3.18Å; N204-I208 PolarHBondContact O-N 3.45Å; V205-I208 PolarHBondContact O-N 3.1Å; I208-I210 VanDerWaalsContact C-N 3.31Å; I208-I210 PolarHBondContact O-N 3.27Å; I208-G211 WeakPolarHBondContact O-CA 3.5Å; I208-G211 PolarHBondContact O-N 3.19Å; I208-V212 HydrophobicContact CG2-CG2 4.45Å; I208-V212 PolarHBondContact O-N 3.49Å |
| 209 | C | 97.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.9 | -42 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | M126 V205 K206 V207 G211 V212 L213 | M126-C209 HydrophobicContact SD-CB 3.85Å; V205-C209 PolarHBondContact O-N 2.89Å; K206-C209 WeakPolarHBondContact O-CB 2.92Å; K206-C209 PolarHBondContact O-N 3.44Å; V207-C209 VanDerWaalsContact C-N 3.27Å; V207-C209 PolarHBondContact O-N 3.4Å; C209-G211 VanDerWaalsContact C-N 3.31Å; C209-G211 PolarHBondContact O-N 3.45Å; C209-V212 PolarHBondContact O-N 2.95Å; C209-L213 WeakPolarHBondContact O-CG 3.36Å; C209-L213 PolarHBondContact O-N 2.89Å |
| 210 | I | 97.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 173.4 | -62.5 | 169.2 | 0 | 0 | 0 | 110.6 | Y36 M202 K206 V207 I208 V212 L213 L214 | Y36-I210 HydrophobicContact CD1-CB 3.83Å; Y36-I210 HydrophobicContact CD1-CD1 4.39Å; Y36-I210 HydrophobicContact CD1-CG2 3.67Å; Y36-I210 HydrophobicContact CE1-CB 4.11Å; Y36-I210 HydrophobicContact CE1-CD1 4.03Å; Y36-I210 HydrophobicContact CE1-CG2 3.63Å; Y36-I210 HydrophobicContact CG-CG2 4.22Å; M202-I210 HydrophobicContact CE-CD1 3.74Å; M202-I210 HydrophobicContact CE-CG1 4.42Å; M202-I210 HydrophobicContact SD-CD1 4.13Å; K206-I210 PolarHBondContact O-N 2.85Å; V207-I210 WeakPolarHBondContact O-CB 3.37Å; V207-I210 PolarHBondContact O-N 3.21Å; V207-I210 VanDerWaalsContact O-N 3.15Å; I208-I210 VanDerWaalsContact C-N 3.31Å; I208-I210 PolarHBondContact O-N 3.27Å; I210-V212 PolarHBondContact O-N 3.27Å; I210-L213 PolarHBondContact O-N 3.08Å; I210-L214 HydrophobicContact CG2-CD1 4.1Å; I210-L214 HydrophobicContact CG2-CG 4.35Å; I210-L214 WeakPolarHBondContact O-CG 3.47Å; I210-L214 PolarHBondContact O-N 3.2Å |
| 211 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A33 V207 I208 C209 L213 L214 M215 | A33-G211 WeakPolarHBondContact CB-O 3.47Å; V207-G211 PolarHBondContact O-N 3.46Å; I208-G211 WeakPolarHBondContact O-CA 3.5Å; I208-G211 PolarHBondContact O-N 3.19Å; C209-G211 VanDerWaalsContact C-N 3.31Å; C209-G211 PolarHBondContact O-N 3.45Å; G211-L213 PolarHBondContact O-N 3.19Å; G211-L214 PolarHBondContact O-N 2.95Å; G211-M215 WeakPolarHBondContact O-CB 3.47Å; G211-M215 PolarHBondContact O-N 3.45Å |
| 212 | V | 97.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.3 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | I119 W122 I208 C209 I210 M215 T216 | I119-V212 HydrophobicContact CG2-CG1 4.31Å; W122-V212 HydrophobicContact CB-CG2 3.72Å; I208-V212 HydrophobicContact CG2-CG2 4.45Å; I208-V212 PolarHBondContact O-N 3.49Å; C209-V212 PolarHBondContact O-N 2.95Å; I210-V212 PolarHBondContact O-N 3.27Å; V212-M215 PolarHBondContact O-N 3.31Å; V212-T216 WeakPolarHBondContact O-CB 3.42Å; V212-T216 PolarHBondContact O-N 3.04Å; V212-T216 PolarHBondContact O-OG1 3.39Å |
| 213 | L | 97.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 176.4 | -71.1 | 169.4 | 0 | 0 | 0 | 111.7 | C209 I210 G211 M215 T216 I217 | C209-L213 WeakPolarHBondContact O-CG 3.36Å; C209-L213 PolarHBondContact O-N 2.89Å; I210-L213 PolarHBondContact O-N 3.08Å; G211-L213 PolarHBondContact O-N 3.19Å; L213-M215 VanDerWaalsContact C-N 3.28Å; L213-M215 PolarHBondContact O-N 3.06Å; L213-T216 WeakPolarHBondContact O-CB 3.45Å; L213-T216 PolarHBondContact O-N 3.39Å; L213-T216 VanDerWaalsContact O-N 3.14Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 3.31Å |
| 214 | L | 97.7 | Very high | 96.2 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 175.9 | -70.9 | 173.1 | 0 | 0 | 0 | 111.8 | L29 L32 A33 Y36 I210 G211 T216 I217 A218 | L29-L214 HydrophobicContact CD2-CD2 4.28Å; L32-L214 HydrophobicContact CD2-CD1 3.87Å; L32-L214 HydrophobicContact CD2-CD2 4.12Å; L32-L214 HydrophobicContact CG-CD1 4.07Å; A33-L214 HydrophobicContact CB-CB 3.7Å; A33-L214 HydrophobicContact CB-CD1 4.32Å; Y36-L214 HydrophobicContact CD2-CD1 3.95Å; Y36-L214 HydrophobicContact CE2-CD1 4.19Å; I210-L214 HydrophobicContact CG2-CD1 4.1Å; I210-L214 HydrophobicContact CG2-CG 4.35Å; I210-L214 WeakPolarHBondContact O-CG 3.47Å; I210-L214 PolarHBondContact O-N 3.2Å; G211-L214 PolarHBondContact O-N 2.95Å; L214-T216 VanDerWaalsContact C-N 3.34Å; L214-I217 PolarHBondContact O-N 2.99Å; L214-A218 PolarHBondContact O-N 2.93Å |
| 215 | M | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.5 | -34.4 | 177.2 | -160.8 | 53.6 | 52.4 | 0 | 0 | 112.5 | N30 A33 I115 M118 I119 W122 G211 V212 L213 A218 F219 | N30-M215 HydrophobicContact CB-CE 4.28Å; N30-M215 VanDerWaalsContact OD1-CE 3.28Å; N30-M215 WeakPolarHBondContact OD1-CE 3.31Å; A33-M215 HydrophobicContact CB-CE 3.35Å; I115-M215 HydrophobicContact CG1-SD 4.35Å; I115-M215 HydrophobicContact CG2-CG 3.86Å; I115-M215 HydrophobicContact CG2-SD 3.93Å; M118-M215 HydrophobicContact CE-SD 4.02Å; I119-M215 HydrophobicContact CD1-CB 4.47Å; I119-M215 HydrophobicContact CD1-CG 4.18Å; I119-M215 HydrophobicContact CG1-CB 3.93Å; I119-M215 HydrophobicContact CG1-CG 3.62Å; W122-M215 HydrophobicContact CH2-CE 3.74Å; W122-M215 HydrophobicContact CZ3-CB 4.35Å; W122-M215 HydrophobicContact CZ3-CE 3.8Å; G211-M215 WeakPolarHBondContact O-CB 3.47Å; G211-M215 PolarHBondContact O-N 3.45Å; V212-M215 PolarHBondContact O-N 3.31Å; L213-M215 VanDerWaalsContact C-N 3.28Å; L213-M215 PolarHBondContact O-N 3.06Å; M215-A218 WeakPolarHBondContact O-CB 3.35Å; M215-A218 PolarHBondContact O-N 3.32Å; M215-A218 HydrophobicContact SD-CB 4.36Å; M215-F219 PolarHBondContact O-N 2.96Å |
| 216 | T | 97.2 | Very high | 96.1 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 173.9 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | V212 L213 L214 A218 F219 F220 | V212-T216 WeakPolarHBondContact O-CB 3.42Å; V212-T216 PolarHBondContact O-N 3.04Å; V212-T216 PolarHBondContact O-OG1 3.39Å; L213-T216 WeakPolarHBondContact O-CB 3.45Å; L213-T216 PolarHBondContact O-N 3.39Å; L213-T216 VanDerWaalsContact O-N 3.14Å; L214-T216 VanDerWaalsContact C-N 3.34Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 2.88Å; T216-F219 WeakPolarHBondContact O-CB 3.06Å; T216-F219 PolarHBondContact O-N 3.44Å; T216-F220 HydrophobicContact CG2-CD2 3.98Å; T216-F220 HydrophobicContact CG2-CE2 3.65Å; T216-F220 WeakPolarHBondContact O-CD2 3.31Å; T216-F220 PolarHBondContact O-N 3.2Å; T216-F220 VanDerWaalsContact O-N 3.12Å |
| 217 | I | 97.6 | Very high | 95.7 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 49% | 0.492 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 172.7 | -64.4 | 165.2 | 0 | 0 | 0 | 110.3 | L29 L213 L214 F219 F220 Y221 | L29-I217 HydrophobicContact CD1-CG2 3.93Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 3.31Å; L214-I217 PolarHBondContact O-N 2.99Å; I217-F219 VanDerWaalsContact C-N 3.29Å; I217-F219 PolarHBondContact O-N 2.94Å; I217-F220 PolarHBondContact O-N 3.37Å; I217-Y221 WeakPolarHBondContact O-CB 3.31Å; I217-Y221 PolarHBondContact O-N 2.87Å |
| 218 | A | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L26 L29 L214 M215 T216 S222 | L26-A218 HydrophobicContact CD1-CB 3.91Å; L29-A218 HydrophobicContact CB-CB 3.83Å; L29-A218 HydrophobicContact CD1-CB 4.19Å; L214-A218 PolarHBondContact O-N 2.93Å; M215-A218 WeakPolarHBondContact O-CB 3.35Å; M215-A218 PolarHBondContact O-N 3.32Å; M215-A218 HydrophobicContact SD-CB 4.36Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 2.88Å; A218-S222 WeakPolarHBondContact O-CB 3.42Å; A218-S222 PolarHBondContact O-N 3.46Å; A218-S222 PolarHBondContact O-OG 2.9Å |
| 219 | F | 97.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -51.9 | 174.6 | -175.9 | -98.8 | 0 | 0 | 0 | 111.9 | L112 I115 T116 I119 M215 T216 I217 Y221 S222 L223 | L112-F219 HydrophobicContact CB-CE2 4.03Å; L112-F219 HydrophobicContact CD2-CD2 3.75Å; L112-F219 HydrophobicContact CD2-CE2 3.65Å; L112-F219 HydrophobicContact CD2-CG 4.39Å; L112-F219 HydrophobicContact CD2-CZ 4.22Å; L112-F219 HydrophobicContact CG-CE2 4.41Å; I115-F219 HydrophobicContact CB-CD2 4.27Å; I115-F219 HydrophobicContact CG2-CB 3.76Å; I115-F219 HydrophobicContact CG2-CD2 3.91Å; I115-F219 HydrophobicContact CG2-CG 4.33Å; T116-F219 WeakPolarHBondContact OG1-CE2 3.21Å; I119-F219 HydrophobicContact CD1-CB 4.36Å; M215-F219 PolarHBondContact O-N 2.96Å; T216-F219 WeakPolarHBondContact O-CB 3.06Å; T216-F219 PolarHBondContact O-N 3.44Å; I217-F219 VanDerWaalsContact C-N 3.29Å; I217-F219 PolarHBondContact O-N 2.94Å; F219-Y221 PolarHBondContact O-N 3Å; F219-S222 WeakPolarHBondContact O-CB 3.35Å; F219-S222 PolarHBondContact O-N 3.39Å; F219-L223 HydrophobicContact CD1-CD1 3.71Å; F219-L223 HydrophobicContact CD1-CG 4.29Å; F219-L223 HydrophobicContact CE1-CD1 3.29Å; F219-L223 HydrophobicContact CE1-CG 4.01Å; F219-L223 HydrophobicContact CZ-CD1 3.99Å; F219-L223 HydrophobicContact CZ-CG 4.34Å; F219-L223 PolarHBondContact O-N 3.24Å |
| 220 | F | 97.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 54.2 Ų | 54.2 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 179.2 | -74.9 | -67.5 | 0 | 0 | 0 | 112.7 | T216 I217 S222 L223 I224 | T216-F220 HydrophobicContact CG2-CD2 3.98Å; T216-F220 HydrophobicContact CG2-CE2 3.65Å; T216-F220 WeakPolarHBondContact O-CD2 3.31Å; T216-F220 PolarHBondContact O-N 3.2Å; T216-F220 VanDerWaalsContact O-N 3.12Å; I217-F220 PolarHBondContact O-N 3.37Å; F220-S222 VanDerWaalsContact C-N 3.32Å; F220-S222 PolarHBondContact O-N 3.46Å; F220-L223 HydrophobicContact CD1-CD1 4.12Å; F220-L223 HydrophobicContact CE1-CD1 4.48Å; F220-L223 WeakPolarHBondContact O-CB 3.48Å; F220-L223 PolarHBondContact O-N 3.3Å; F220-I224 WeakPolarHBondContact O-CG1 3.29Å; F220-I224 PolarHBondContact O-N 3.16Å |
| 221 | Y | 96.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 172.4 | 178.2 | -92.7 | 0 | 0 | 0 | 111.2 | T22 P25 L26 I217 F219 L223 I224 R225 | T22-Y221 PolarHBondContact O-OH 3.44Å; P25-Y221 HydrophobicContact CB-CE1 4.11Å; P25-Y221 HydrophobicContact CB-CE2 4.22Å; P25-Y221 WeakPolarHBondContact CD-OH 3.48Å; P25-Y221 HydrophobicContact CG-CE1 4.38Å; P25-Y221 HydrophobicContact CG-CE2 4.41Å; P25-Y221 WeakPolarHBondContact CG-OH 3.43Å; L26-Y221 HydrophobicContact CB-CD1 3.96Å; L26-Y221 HydrophobicContact CB-CE1 4.09Å; I217-Y221 WeakPolarHBondContact O-CB 3.31Å; I217-Y221 PolarHBondContact O-N 2.87Å; F219-Y221 PolarHBondContact O-N 3Å; Y221-L223 VanDerWaalsContact C-N 3.31Å; Y221-L223 PolarHBondContact O-N 3.09Å; Y221-I224 PolarHBondContact O-N 2.97Å; Y221-R225 HydrophobicContact CE1-CB 4.13Å; Y221-R225 HydrophobicContact CE1-CG 4.26Å; Y221-R225 HydrophobicContact CE2-CB 4.21Å; Y221-R225 HydrophobicContact CE2-CG 4.29Å; Y221-R225 VanDerWaalsContact O-CB 3.3Å; Y221-R225 WeakPolarHBondContact O-CB 3.4Å; Y221-R225 PolarHBondContact O-N 2.91Å |
| 222 | S | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | L26 K108 A218 F219 F220 L226 | L26-S222 WeakPolarHBondContact CD1-OG 3.07Å; L26-S222 WeakPolarHBondContact CD2-OG 3.49Å; K108-S222 WeakPolarHBondContact CE-O 3.37Å; A218-S222 WeakPolarHBondContact O-CB 3.42Å; A218-S222 PolarHBondContact O-N 3.46Å; A218-S222 PolarHBondContact O-OG 2.9Å; F219-S222 WeakPolarHBondContact O-CB 3.35Å; F219-S222 PolarHBondContact O-N 3.39Å; F220-S222 VanDerWaalsContact C-N 3.32Å; F220-S222 PolarHBondContact O-N 3.46Å; S222-L226 WeakPolarHBondContact O-CB 3.19Å; S222-L226 PolarHBondContact O-N 3.24Å |
| 223 | L | 94.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 61 Ų | 61 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.6 | -79.6 | 176.3 | 0 | 0 | 0 | 112.6 | K108 L112 F219 F220 Y221 | K108-L223 WeakPolarHBondContact CE-O 3.4Å; K108-L223 PolarHBondContact NZ-O 3.44Å; L112-L223 HydrophobicContact CD1-CD2 3.52Å; L112-L223 HydrophobicContact CD1-CG 4.4Å; L112-L223 HydrophobicContact CD2-CD2 3.79Å; L112-L223 HydrophobicContact CD2-CG 3.75Å; L112-L223 HydrophobicContact CG-CD2 4.32Å; F219-L223 HydrophobicContact CD1-CD1 3.71Å; F219-L223 HydrophobicContact CD1-CG 4.29Å; F219-L223 HydrophobicContact CE1-CD1 3.29Å; F219-L223 HydrophobicContact CE1-CG 4.01Å; F219-L223 HydrophobicContact CZ-CD1 3.99Å; F219-L223 HydrophobicContact CZ-CG 4.34Å; F219-L223 PolarHBondContact O-N 3.24Å; F220-L223 HydrophobicContact CD1-CD1 4.12Å; F220-L223 HydrophobicContact CE1-CD1 4.48Å; F220-L223 WeakPolarHBondContact O-CB 3.48Å; F220-L223 PolarHBondContact O-N 3.3Å; Y221-L223 VanDerWaalsContact C-N 3.31Å; Y221-L223 PolarHBondContact O-N 3.09Å |
| 224 | I | 93.4 | Very high | 92.7 | Very high | 148 Ų | 148 | 57 Ų | 57 | 76% | 0.759 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -83.7 | -40.2 | -174.3 | -63.8 | 167.7 | 0 | 0 | 0 | 111.3 | F220 Y221 | F220-I224 WeakPolarHBondContact O-CG1 3.29Å; F220-I224 PolarHBondContact O-N 3.16Å; Y221-I224 PolarHBondContact O-N 2.97Å |
| 225 | R | 91.6 | Very high | 92 | Very high | 118 Ų | 118 | 60.8 Ų | 60.8 | 45% | 0.445 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -95.3 | -28.2 | -166.8 | -171 | 55.5 | 177.3 | 164.6 | 1.4 | 114.8 | G19 V21 Y221 | G19-R225 PolarHBondContact O-NH2 2.96Å; V21-R225 PolarHBondContact O-NE 3.47Å; V21-R225 PolarHBondContact O-NH2 3.28Å; Y221-R225 HydrophobicContact CE1-CB 4.13Å; Y221-R225 HydrophobicContact CE1-CG 4.26Å; Y221-R225 HydrophobicContact CE2-CB 4.21Å; Y221-R225 HydrophobicContact CE2-CG 4.29Å; Y221-R225 VanDerWaalsContact O-CB 3.3Å; Y221-R225 WeakPolarHBondContact O-CB 3.4Å; Y221-R225 PolarHBondContact O-N 2.91Å |
| 226 | L | 91 | Very high | 91.6 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | trans | -90.6 | 140.6 | -177.5 | -56.2 | 179.2 | 0 | 0 | 0 | 111 | V23 L26 K108 I111 Y162 S222 | V23-L226 HydrophobicContact CG1-CD2 3.85Å; L26-L226 HydrophobicContact CD2-CD1 4.03Å; K108-L226 HydrophobicContact CB-CB 4Å; K108-L226 HydrophobicContact CD-CB 4.27Å; K108-L226 VanDerWaalsContact CD-O 3.24Å; K108-L226 WeakPolarHBondContact CD-O 3.32Å; K108-L226 VanDerWaalsContact CE-O 3.26Å; K108-L226 WeakPolarHBondContact CE-O 3.2Å; K108-L226 HydrophobicContact CG-CB 4.01Å; K108-L226 PolarHBondContact NZ-O 3.09Å; I111-L226 HydrophobicContact CD1-CD1 3.68Å; I111-L226 HydrophobicContact CG2-CD1 4.27Å; Y162-L226 HydrophobicContact CD1-CD2 4.2Å; Y162-L226 HydrophobicContact CE1-CD2 3.67Å; S222-L226 WeakPolarHBondContact O-CB 3.19Å; S222-L226 PolarHBondContact O-N 3.24Å | ||
| 227 | D | 89.1 | Confident | 91.2 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | trans | -94 | 137.5 | 177.1 | -65 | -42.5 | 0 | 0 | 0 | 110.3 | Y162 V229 M234 | Y162-D227 PolarHBondContact OH-N 3.37Å; Y162-D227 VanDerWaalsContact OH-N 3.11Å; D227-V229 HydrophobicContact CB-CG2 4.13Å; D227-V229 PolarHBondContact O-N 3.39Å; D227-M234 HydrophobicContact CB-CE 4.21Å | ||
| 228 | Q | 91.5 | Very high | 90.6 | Very high | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | trans | -95.4 | 86.3 | 173 | -175.2 | 69.9 | 29.3 | 0 | 0 | 108.7 | Y105 G106 K108 | Y105-Q228 PolarHBondContact O-NE2 3.21Å; G106-Q228 PolarHBondContact O-NE2 3.44Å; K108-Q228 HydrophobicContact CB-CB 4.46Å; K108-Q228 HydrophobicContact CD-CB 4.07Å | ||
| 229 | V | 88.8 | Confident | 90.1 | Very high | 38 Ų | 38 | 72.7 Ų | 72.7 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | trans | -132.5 | 140.1 | 179.9 | -175 | 0 | 0 | 0 | 0 | 108.8 | G106 D227 V233 M234 L237 | G106-V229 VanDerWaalsContact CA-O 3.28Å; G106-V229 WeakPolarHBondContact CA-O 3.35Å; D227-V229 HydrophobicContact CB-CG2 4.13Å; D227-V229 PolarHBondContact O-N 3.39Å; V229-V233 HydrophobicContact CG1-CB 3.75Å; V229-V233 HydrophobicContact CG1-CG1 3.67Å; V229-M234 HydrophobicContact CB-CB 4.44Å; V229-M234 HydrophobicContact CB-SD 4.16Å; V229-M234 HydrophobicContact CG1-CB 4.27Å; V229-M234 HydrophobicContact CG2-SD 4.4Å; V229-L237 HydrophobicContact CG1-CD1 4.37Å | ||
| 230 | P | 89 | Confident | 89.7 | Confident | 51 Ų | 51 | 74.6 Ų | 74.6 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | trans | -55.6 | 141.2 | 171.7 | -26.1 | 35.2 | 0 | 0 | 0 | 111.6 | D232 V233 M234 | P230-D232 VanDerWaalsContact C-N 3.32Å; P230-D232 PolarHBondContact O-N 2.77Å; P230-V233 HydrophobicContact CB-CG2 4.25Å; P230-V233 PolarHBondContact O-N 3.4Å; P230-V233 VanDerWaalsContact O-N 3.08Å; P230-M234 PolarHBondContact O-N 2.83Å | ||
| 231 | P | 84.8 | Confident | 89.1 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 8% | 0.078 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -51.7 | -44.7 | -175.1 | -29.9 | 36.3 | 0 | 0 | 0 | 114.5 | D103 V233 M234 R235 | D103-P231 WeakPolarHBondContact O-CD 3.43Å; D103-P231 WeakPolarHBondContact O-CG 3.44Å; P231-V233 VanDerWaalsContact C-N 3.3Å; P231-V233 PolarHBondContact O-N 3.42Å; P231-M234 WeakPolarHBondContact O-CB 3.48Å; P231-M234 PolarHBondContact O-N 3.42Å; P231-R235 PolarHBondContact O-N 2.92Å |
| 232 | D | 85.2 | Confident | 88.5 | Confident | 121 Ų | 121 | 78.4 Ų | 78.4 | 65% | 0.647 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | -178 | -55.3 | -32.3 | 0 | 0 | 0 | 112.1 | P230 R236 | P230-D232 VanDerWaalsContact C-N 3.32Å; P230-D232 PolarHBondContact O-N 2.77Å; D232-R236 WeakPolarHBondContact O-CG 3.5Å; D232-R236 PolarHBondContact O-N 3.35Å |
| 233 | V | 89.7 | Confident | 88 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.7 | -43.3 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | V229 P230 P231 R235 R236 L237 | V229-V233 HydrophobicContact CG1-CB 3.75Å; V229-V233 HydrophobicContact CG1-CG1 3.67Å; P230-V233 HydrophobicContact CB-CG2 4.25Å; P230-V233 PolarHBondContact O-N 3.4Å; P230-V233 VanDerWaalsContact O-N 3.08Å; P231-V233 VanDerWaalsContact C-N 3.3Å; P231-V233 PolarHBondContact O-N 3.42Å; V233-R235 VanDerWaalsContact C-N 3.33Å; V233-R235 PolarHBondContact O-N 3.24Å; V233-R236 PolarHBondContact O-N 3.25Å; V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.3Å; V233-L237 WeakPolarHBondContact O-CG 3.47Å; V233-L237 PolarHBondContact O-N 2.97Å |
| 234 | M | 86.6 | Confident | 87.4 | Confident | 17 Ų | 17 | 88.7 Ų | 88.7 | 8% | 0.084 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56 | -49 | 177.1 | -167.8 | 64.9 | 164.9 | 0 | 0 | 111 | V166 D227 V229 P230 P231 R236 L237 I238 | V166-M234 HydrophobicContact CG2-CE 3.75Å; D227-M234 HydrophobicContact CB-CE 4.21Å; V229-M234 HydrophobicContact CB-CB 4.44Å; V229-M234 HydrophobicContact CB-SD 4.16Å; V229-M234 HydrophobicContact CG1-CB 4.27Å; V229-M234 HydrophobicContact CG2-SD 4.4Å; P230-M234 PolarHBondContact O-N 2.83Å; P231-M234 WeakPolarHBondContact O-CB 3.48Å; P231-M234 PolarHBondContact O-N 3.42Å; M234-R236 PolarHBondContact O-N 3.09Å; M234-L237 PolarHBondContact O-N 3.27Å; M234-I238 HydrophobicContact CE-CD1 4.38Å; M234-I238 HydrophobicContact CG-CD1 4.1Å; M234-I238 WeakPolarHBondContact O-CG1 3.48Å; M234-I238 PolarHBondContact O-N 3.37Å; M234-I238 VanDerWaalsContact O-N 3.08Å |
| 235 | R | 83.9 | Confident | 86.9 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 179.1 | -174.5 | 170.8 | -77.6 | -146.1 | -5.6 | 112.3 | A164 P231 V233 I238 L239 | A164-R235 PolarHBondContact O-NH2 2.94Å; P231-R235 PolarHBondContact O-N 2.92Å; V233-R235 VanDerWaalsContact C-N 3.33Å; V233-R235 PolarHBondContact O-N 3.24Å; R235-I238 PolarHBondContact O-N 3.12Å; R235-L239 HydrophobicContact CG-CD1 4.27Å; R235-L239 WeakPolarHBondContact O-CG 3.47Å; R235-L239 PolarHBondContact O-N 3.14Å; R235-L239 VanDerWaalsContact O-N 3.1Å |
| 236 | R | 87.8 | Confident | 86.4 | Confident | 181 Ų | 181 | 85.5 Ų | 85.5 | 68% | 0.683 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.4 | -44.8 | 175.9 | -73.4 | 178.7 | -168.5 | -158.8 | 3.8 | 112.2 | D232 V233 M234 I238 L239 L240 | D232-R236 WeakPolarHBondContact O-CG 3.5Å; D232-R236 PolarHBondContact O-N 3.35Å; V233-R236 PolarHBondContact O-N 3.25Å; M234-R236 PolarHBondContact O-N 3.09Å; R236-I238 VanDerWaalsContact C-N 3.28Å; R236-I238 PolarHBondContact O-N 2.93Å; R236-L239 PolarHBondContact O-N 2.99Å; R236-L240 WeakPolarHBondContact O-CB 3.37Å; R236-L240 VanDerWaalsContact O-CG 3.29Å; R236-L240 WeakPolarHBondContact O-CG 3.32Å; R236-L240 PolarHBondContact O-N 3.08Å |
| 237 | L | 88.4 | Confident | 85.8 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 179.4 | -72 | 172.7 | 0 | 0 | 0 | 111.8 | V229 V233 M234 L240 R241 | V229-L237 HydrophobicContact CG1-CD1 4.37Å; V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.3Å; V233-L237 WeakPolarHBondContact O-CG 3.47Å; V233-L237 PolarHBondContact O-N 2.97Å; M234-L237 PolarHBondContact O-N 3.27Å; L237-L240 PolarHBondContact O-N 3.06Å; L237-R241 WeakPolarHBondContact O-CB 3.39Å; L237-R241 PolarHBondContact O-N 2.65Å |
| 238 | I | 85 | Confident | 85.2 | Confident | 39 Ų | 39 | 93.5 Ų | 93.5 | 20% | 0.2 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.7 | -43.9 | -179.8 | -66.7 | 172.2 | 0 | 0 | 0 | 111.1 | V166 P168 M234 R235 R236 L240 R241 K242 | V166-I238 HydrophobicContact CB-CD1 4.16Å; V166-I238 HydrophobicContact CG1-CD1 3.93Å; V166-I238 HydrophobicContact CG2-CD1 4.47Å; V166-I238 VanDerWaalsContact O-CD1 3.29Å; V166-I238 WeakPolarHBondContact O-CD1 3.42Å; P168-I238 HydrophobicContact CG-CG2 4.16Å; M234-I238 HydrophobicContact CE-CD1 4.38Å; M234-I238 HydrophobicContact CG-CD1 4.1Å; M234-I238 WeakPolarHBondContact O-CG1 3.48Å; M234-I238 PolarHBondContact O-N 3.37Å; M234-I238 VanDerWaalsContact O-N 3.08Å; R235-I238 PolarHBondContact O-N 3.12Å; R236-I238 VanDerWaalsContact C-N 3.28Å; R236-I238 PolarHBondContact O-N 2.93Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 PolarHBondContact O-N 3.38Å; I238-R241 PolarHBondContact O-N 2.97Å; I238-K242 PolarHBondContact O-N 3.36Å |
| 239 | L | 85.9 | Confident | 84.3 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 41% | 0.408 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 175.5 | -71 | 171.5 | 0 | 0 | 0 | 111.8 | P168 R235 R236 R241 K242 Q243 | P168-L239 HydrophobicContact CB-CD2 4.06Å; P168-L239 HydrophobicContact CG-CD2 4.31Å; R235-L239 HydrophobicContact CG-CD1 4.27Å; R235-L239 WeakPolarHBondContact O-CG 3.47Å; R235-L239 PolarHBondContact O-N 3.14Å; R235-L239 VanDerWaalsContact O-N 3.1Å; R236-L239 PolarHBondContact O-N 2.99Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 3.44Å; L239-K242 PolarHBondContact O-N 3.4Å; L239-Q243 WeakPolarHBondContact O-CG 3.39Å; L239-Q243 PolarHBondContact O-N 3.34Å |
| 240 | L | 88.5 | Confident | 83.1 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 45% | 0.45 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 175.4 | -71.7 | 172.9 | 0 | 0 | 0 | 112.1 | R236 L237 I238 R244 | R236-L240 WeakPolarHBondContact O-CB 3.37Å; R236-L240 VanDerWaalsContact O-CG 3.29Å; R236-L240 WeakPolarHBondContact O-CG 3.32Å; R236-L240 PolarHBondContact O-N 3.08Å; L237-L240 PolarHBondContact O-N 3.06Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 PolarHBondContact O-N 3.38Å; L240-R244 WeakPolarHBondContact O-CG 3.41Å; L240-R244 PolarHBondContact O-N 3Å |
| 241 | R | 85.2 | Confident | 81.8 | Confident | 182 Ų | 182 | 96.4 Ų | 96.4 | 69% | 0.687 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 175.8 | -171.8 | 176.3 | -176 | 169 | 1.4 | 111.3 | L237 I238 L239 R244 L245 | L237-R241 WeakPolarHBondContact O-CB 3.39Å; L237-R241 PolarHBondContact O-N 2.65Å; I238-R241 PolarHBondContact O-N 2.97Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 3.44Å; R241-R244 PolarHBondContact O-N 2.98Å; R241-L245 HydrophobicContact CG-CD1 4.41Å; R241-L245 WeakPolarHBondContact O-CG 3.33Å; R241-L245 PolarHBondContact O-N 3.44Å |
| 242 | K | 83.3 | Confident | 80.4 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 32% | 0.322 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 176.2 | -175.2 | 170 | 176.4 | 164.7 | 0 | 111.3 | E169 I238 L239 R244 L245 E246 | E169-K242 IonicContact OE1-NZ 3.66Å; E169-K242 PolarHBondContact OE1-NZ 3.45Å; E169-K242 IonicContact OE2-NZ 3.91Å; I238-K242 PolarHBondContact O-N 3.36Å; L239-K242 PolarHBondContact O-N 3.4Å; K242-R244 VanDerWaalsContact C-N 3.3Å; K242-R244 PolarHBondContact O-N 2.65Å; K242-L245 PolarHBondContact O-N 2.66Å; K242-L245 VanDerWaalsContact O-N 3.08Å; K242-E246 WeakPolarHBondContact CE-OE1 3.33Å; K242-E246 WeakPolarHBondContact O-CG 3.28Å; K242-E246 PolarHBondContact O-N 3.25Å |
| 243 | Q | 85.5 | Confident | 78.9 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 176.1 | -74 | 178.2 | -15.2 | 0 | 0 | 113.1 | L239 R247 | L239-Q243 WeakPolarHBondContact O-CG 3.39Å; L239-Q243 PolarHBondContact O-N 3.34Å; Q243-R247 WeakPolarHBondContact O-CB 3.35Å; Q243-R247 PolarHBondContact O-N 3.09Å |
| 244 | R | 81.9 | Confident | 77 | Confident | 172 Ų | 172 | 106.5 Ų | 106.5 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 174.5 | -75.5 | -175.9 | -155.2 | 177 | 4.7 | 112.3 | L240 R241 K242 R247 N248 | L240-R244 WeakPolarHBondContact O-CG 3.41Å; L240-R244 PolarHBondContact O-N 3Å; R241-R244 PolarHBondContact O-N 2.98Å; K242-R244 VanDerWaalsContact C-N 3.3Å; K242-R244 PolarHBondContact O-N 2.65Å; R244-R247 PolarHBondContact O-N 2.96Å; R244-N248 PolarHBondContact O-N 3.08Å |
| 245 | L | 82 | Confident | 75.2 | Confident | 95 Ų | 95 | 110.3 Ų | 110.3 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 178.1 | -71.7 | 168.1 | 0 | 0 | 0 | 110.9 | R241 K242 R247 N248 D249 | R241-L245 HydrophobicContact CG-CD1 4.41Å; R241-L245 WeakPolarHBondContact O-CG 3.33Å; R241-L245 PolarHBondContact O-N 3.44Å; K242-L245 PolarHBondContact O-N 2.66Å; K242-L245 VanDerWaalsContact O-N 3.08Å; L245-R247 VanDerWaalsContact C-N 3.3Å; L245-R247 PolarHBondContact O-N 2.85Å; L245-N248 PolarHBondContact O-N 3.44Å; L245-N248 VanDerWaalsContact O-N 3.15Å; L245-D249 PolarHBondContact O-N 2.95Å |
| 246 | E | 81.4 | Confident | 73.2 | Confident | 103 Ų | 103 | 111.8 Ų | 111.8 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 175.8 | -70.8 | 169.9 | 177.9 | 0 | 0 | 111.7 | K242 D249 S250 | K242-E246 WeakPolarHBondContact CE-OE1 3.33Å; K242-E246 WeakPolarHBondContact O-CG 3.28Å; K242-E246 PolarHBondContact O-N 3.25Å; E246-D249 PolarHBondContact O-N 3.06Å; E246-S250 WeakPolarHBondContact O-CB 3.32Å; E246-S250 PolarHBondContact O-N 3.31Å; E246-S250 PolarHBondContact O-OG 2.96Å |
| 247 | R | 78.8 | Confident | 71.3 | Confident | 163 Ų | 163 | 108.9 Ų | 108.9 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -45.7 | 174.2 | -166.4 | -174.5 | -58.3 | 173.6 | 0.2 | 111.6 | Q243 R244 L245 D249 S250 V251 | Q243-R247 WeakPolarHBondContact O-CB 3.35Å; Q243-R247 PolarHBondContact O-N 3.09Å; R244-R247 PolarHBondContact O-N 2.96Å; L245-R247 VanDerWaalsContact C-N 3.3Å; L245-R247 PolarHBondContact O-N 2.85Å; R247-D249 PolarHBondContact O-N 3.26Å; R247-S250 WeakPolarHBondContact CA-OG 3.36Å; R247-S250 PolarHBondContact O-N 3.37Å; R247-S250 PolarHBondContact O-OG 2.73Å; R247-V251 VanDerWaalsContact O-CG2 3.3Å; R247-V251 WeakPolarHBondContact O-CG2 3.37Å; R247-V251 PolarHBondContact O-N 2.93Å |
| 248 | N | 76.9 | Confident | 68.7 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 178.7 | -75.9 | 0.5 | 0 | 0 | 0 | 112.4 | R244 L245 V251 H252 | R244-N248 PolarHBondContact O-N 3.08Å; L245-N248 PolarHBondContact O-N 3.44Å; L245-N248 VanDerWaalsContact O-N 3.15Å; N248-V251 PolarHBondContact O-N 3.17Å; N248-H252 PolarHBondContact O-N 3.43Å |
| 249 | D | 71.1 | Confident | 66.1 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.5 | -42.4 | 176 | -72.9 | -15.2 | 0 | 0 | 0 | 110.6 | L245 E246 R247 V251 H252 E253 | L245-D249 PolarHBondContact O-N 2.95Å; E246-D249 PolarHBondContact O-N 3.06Å; R247-D249 PolarHBondContact O-N 3.26Å; D249-V251 VanDerWaalsContact C-N 3.33Å; D249-V251 PolarHBondContact O-N 2.95Å; D249-H252 PolarHBondContact O-N 3.28Å; D249-E253 WeakPolarHBondContact O-CB 3.41Å; D249-E253 PolarHBondContact O-N 3.22Å |
| 250 | S | 64.2 | Low | 63.6 | Low | 58 Ų | 58 | 120 Ų | 120 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.1 | -34.9 | 175.6 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | E246 R247 E253 H254 | E246-S250 WeakPolarHBondContact O-CB 3.32Å; E246-S250 PolarHBondContact O-N 3.31Å; E246-S250 PolarHBondContact O-OG 2.96Å; R247-S250 WeakPolarHBondContact CA-OG 3.36Å; R247-S250 PolarHBondContact O-N 3.37Å; R247-S250 PolarHBondContact O-OG 2.73Å; S250-E253 PolarHBondContact O-N 3.24Å; S250-H254 PolarHBondContact O-N 3.44Å |
| 251 | V | 61.6 | Low | 61 | Low | 72 Ų | 72 | 125.2 Ų | 125.2 | 44% | 0.436 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.3 | -36.5 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | R247 N248 D249 N255 | R247-V251 VanDerWaalsContact O-CG2 3.3Å; R247-V251 WeakPolarHBondContact O-CG2 3.37Å; R247-V251 PolarHBondContact O-N 2.93Å; N248-V251 PolarHBondContact O-N 3.17Å; D249-V251 VanDerWaalsContact C-N 3.33Å; D249-V251 PolarHBondContact O-N 2.95Å; V251-N255 VanDerWaalsContact O-CB 3.31Å; V251-N255 WeakPolarHBondContact O-CB 3.38Å; V251-N255 VanDerWaalsContact O-CG 3.23Å; V251-N255 PolarHBondContact O-N 2.99Å; V251-N255 PolarHBondContact O-ND2 3.3Å |
| 252 | H | 55.5 | Low | 58.3 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.6 | -32.1 | 174 | -94.1 | -52.5 | 0 | 0 | 0 | 113.3 | N248 D249 N256 | N248-H252 PolarHBondContact O-N 3.43Å; D249-H252 PolarHBondContact O-N 3.28Å; H252-N256 PolarHBondContact O-N 3.02Å; H252-N256 PolarHBondContact O-ND2 3.39Å |
| 253 | E | 52.9 | Low | 55.7 | Low | 152 Ų | 152 | 127.3 Ų | 127.3 | 71% | 0.71 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.6 | -37.1 | 175.2 | -153.8 | 166.1 | -157.7 | 0 | 0 | 111.2 | D249 S250 | D249-E253 WeakPolarHBondContact O-CB 3.41Å; D249-E253 PolarHBondContact O-N 3.22Å; S250-E253 PolarHBondContact O-N 3.24Å |
| 254 | H | 50.9 | Low | 53 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 65% | 0.648 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.7 | -39.3 | 171.5 | -106.3 | -45.5 | 0 | 0 | 0 | 113.4 | S250 N256 V257 E258 | S250-H254 PolarHBondContact O-N 3.44Å; H254-N256 PolarHBondContact O-N 3.01Å; H254-V257 PolarHBondContact O-N 3.25Å; H254-V257 VanDerWaalsContact O-N 3.15Å; H254-E258 PolarHBondContact O-N 3.01Å |
| 255 | N | 47.7 | Very low | 50.6 | Low | 97 Ų | 97 | 129.4 Ų | 129.4 | 52% | 0.519 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.3 | -12.8 | 179.2 | -74.7 | -17.6 | 0 | 0 | 0 | 114.1 | V251 | V251-N255 VanDerWaalsContact O-CB 3.31Å; V251-N255 WeakPolarHBondContact O-CB 3.38Å; V251-N255 VanDerWaalsContact O-CG 3.23Å; V251-N255 PolarHBondContact O-N 2.99Å; V251-N255 PolarHBondContact O-ND2 3.3Å |
| 256 | N | 43.2 | Very low | 47.9 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -6.3 | 171.8 | -78.2 | -27.2 | 0 | 0 | 0 | 113.5 | H252 H254 | H252-N256 PolarHBondContact O-N 3.02Å; H252-N256 PolarHBondContact O-ND2 3.39Å; H254-N256 PolarHBondContact O-N 3.01Å |
| 257 | V | 46.6 | Very low | 45.2 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -20.3 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 112 | H254 | H254-V257 PolarHBondContact O-N 3.25Å; H254-V257 VanDerWaalsContact O-N 3.15Å |
| 258 | E | 34.1 | Very low | 42.9 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | trans | -126.8 | 86.4 | 172.8 | -76.4 | -176.5 | 149 | 0 | 0 | 111.4 | H254 | H254-E258 PolarHBondContact O-N 3.01Š| ||
| 259 | M | 30.3 | Very low | 40.5 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 89% | 0.892 | 71% | 0.71 | S | S | * | * | trans | -67.9 | 127.3 | 141.1 | -82.6 | -153 | -66.8 | 0 | 0 | 106.6 | ||||
| 260 | V | 34.8 | Very low | 38.4 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | trans | 100.3 | 80.8 | 177.5 | -171.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 261 | K | 33.3 | Very low | 36.7 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | 179.4 | 139 | 104 | -103.9 | 160 | -177.2 | 178.1 | 0 | 112.4 | |||||
| 262 | N | 28.8 | Very low | 35 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -39.7 | 133.8 | 162.9 | -77.6 | -21.9 | 0 | 0 | 0 | 111.9 | ||||
| 263 | N | 29 | Very low | 33.7 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | -162.9 | 152.5 | 113.1 | -97.2 | -19.4 | 0 | 0 | 0 | 113 | V265 | N263-V265 PolarHBondContact O-N 3.41Š| |||
| 264 | Q | 28.3 | Very low | 32.7 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -38 | 118.1 | -179 | -66.1 | 167.2 | -30.6 | 0 | 0 | 113.7 | Q266 | Q264-Q266 PolarHBondContact O-N 3.25Š| ||
| 265 | V | 30.6 | Very low | 31.5 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -83.2 | 102.6 | 160.2 | 177.1 | 0 | 0 | 0 | 0 | 107 | N263 | N263-V265 PolarHBondContact O-N 3.41Š| ||
| 266 | Q | 25.9 | Very low | 30.6 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -60.5 | 140.8 | 159.1 | -81.8 | 171.8 | -32 | 0 | 0 | 108.9 | Q264 A268 | Q264-Q266 PolarHBondContact O-N 3.25Å; Q266-A268 PolarHBondContact O-N 2.93Å; Q266-A268 VanDerWaalsContact O-N 3.13Å | ||
| 267 | P | 25.2 | Very low | 29.8 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 115.7 | 173.6 | 28.1 | -29.9 | 0 | 0 | 0 | 108.1 | S269 | P267-S269 VanDerWaalsContact C-N 3.27Å; P267-S269 PolarHBondContact O-N 3.08Å | ||
| 268 | A | 30 | Very low | 28.9 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 92.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q266 E270 | Q266-A268 PolarHBondContact O-N 2.93Å; Q266-A268 VanDerWaalsContact O-N 3.13Å; A268-E270 PolarHBondContact O-N 3.33Å | ||
| 269 | S | 26.3 | Very low | 28.6 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -70.2 | 74.9 | 166.1 | 54.7 | 0 | 0 | 0 | 0 | 109.1 | P267 | P267-S269 VanDerWaalsContact C-N 3.27Å; P267-S269 PolarHBondContact O-N 3.08Å | ||
| 270 | E | 28 | Very low | 28.7 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -146.2 | 56.1 | 168.6 | -108.4 | -176.2 | -177 | 0 | 0 | 110.2 | A268 | A268-E270 PolarHBondContact O-N 3.33Š| ||
| 271 | C | 27.1 | Very low | 28.7 | Very low | 115 Ų | 115 | 146 Ų | 146 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -95.2 | 84.6 | 146.9 | -151.3 | 0 | 0 | 0 | 0 | 105.6 | T273 | C271-T273 PolarHBondContact O-N 3.08Š| ||
| 272 | K | 27.4 | Very low | 28.7 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -58.8 | 98.1 | 152.8 | -125.9 | 175.2 | -173.6 | 172.3 | 0 | 103.5 | L274 | K272-L274 PolarHBondContact O-N 2.89Š| ||
| 273 | T | 28.3 | Very low | 29.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | -46.7 | 99.7 | 161.6 | -33.6 | 0 | 0 | 0 | 0 | 103.6 | C271 S275 | C271-T273 PolarHBondContact O-N 3.08Å; T273-S275 PolarHBondContact O-N 2.92Å | ||
| 274 | L | 31.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -70.2 | 80.1 | 166.7 | -149.9 | 96.3 | 0 | 0 | 0 | 102.1 | K272 L276 | K272-L274 PolarHBondContact O-N 2.89Å; L274-L276 PolarHBondContact O-N 2.86Å | ||
| 275 | S | 24.1 | Very low | 31.5 | Very low | 84 Ų | 84 | 134.8 Ų | 134.8 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | trans | -50.8 | 98.6 | 154.4 | 51.1 | 0 | 0 | 0 | 0 | 103.1 | T273 T277 | T273-S275 PolarHBondContact O-N 2.92Å; S275-T277 PolarHBondContact O-N 3.38Å | ||
| 276 | L | 30.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -49.7 | 92.8 | 141.4 | -73.1 | 163.5 | 0 | 0 | 0 | 103.3 | L274 E278 | L274-L276 PolarHBondContact O-N 2.86Å; L276-E278 PolarHBondContact O-N 3.31Å | ||
| 277 | T | 25.4 | Very low | 35 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -54.2 | 88.1 | 146.9 | 29.1 | 0 | 0 | 0 | 0 | 103.6 | S275 E279 | S275-T277 PolarHBondContact O-N 3.38Å; T277-E279 PolarHBondContact O-N 2.69Å | ||
| 278 | E | 28.3 | Very low | 37.2 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 66% | 0.659 | 69% | 0.689 | S | S | * | * | trans | -55.6 | 82 | 146 | -72.8 | -169.9 | 158.9 | 0 | 0 | 104.8 | L276 K280 | L276-E278 PolarHBondContact O-N 3.31Å; E278-K280 HydrophobicContact CB-CG 4.33Å; E278-K280 PolarHBondContact O-N 3Å; E278-K280 WeakPolarHBondContact OE2-CE 3.36Å; E278-K280 IonicContact OE2-NZ 3.14Å | ||
| 279 | E | 28.5 | Very low | 39.4 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | trans | -57.1 | 89.4 | 136.6 | -84.4 | -174.6 | 150.5 | 0 | 0 | 104.5 | T277 E281 | T277-E279 PolarHBondContact O-N 2.69Å; E279-E281 PolarHBondContact O-N 2.73Å | ||
| 280 | K | 31 | Very low | 42 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | trans | -63.2 | 68.2 | 150.6 | -78.7 | 179.7 | -179.4 | 163.3 | 0 | 106 | E278 K282 | E278-K280 HydrophobicContact CB-CG 4.33Å; E278-K280 PolarHBondContact O-N 3Å; E278-K280 WeakPolarHBondContact OE2-CE 3.36Å; E278-K280 IonicContact OE2-NZ 3.14Å; K280-K282 PolarHBondContact O-N 3.4Å | ||
| 281 | E | 35.2 | Very low | 44.5 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 71% | 0.71 | 65% | 0.654 | S | S | * | * | trans | -55.1 | 112.6 | 154 | -158.1 | -179 | -154.6 | 0 | 0 | 103.3 | E279 V283 | E279-E281 PolarHBondContact O-N 2.73Å; E281-V283 HydrophobicContact CB-CG2 3.84Å; E281-V283 HydrophobicContact CG-CG2 3.92Å; E281-V283 PolarHBondContact O-N 2.85Å | ||
| 282 | K | 33.5 | Very low | 46.9 | Very low | 207 Ų | 207 | 119.5 Ų | 119.5 | 90% | 0.9 | 62% | 0.621 | S | S | * | * | trans | -67.1 | 69.4 | 172.8 | -79.4 | -177.7 | 178 | 176.5 | 0 | 106.7 | K280 S284 | K280-K282 PolarHBondContact O-N 3.4Å; K282-S284 VanDerWaalsContact C-N 3.34Å; K282-S284 PolarHBondContact O-N 3.25Å | ||
| 283 | V | 46.4 | Very low | 49.5 | Very low | 49 Ų | 49 | 113.4 Ų | 113.4 | 30% | 0.297 | 60% | 0.599 | S | S | . | * | trans | -68.8 | 100.4 | 173.6 | -176.9 | 0 | 0 | 0 | 0 | 104.7 | E281 S287 K288 | E281-V283 HydrophobicContact CB-CG2 3.84Å; E281-V283 HydrophobicContact CG-CG2 3.92Å; E281-V283 PolarHBondContact O-N 2.85Å; V283-S287 WeakPolarHBondContact CG1-OG 3.36Å; V283-K288 HydrophobicContact CB-CG 4.26Å; V283-K288 HydrophobicContact CG1-CG 3.64Å | ||
| 284 | S | 42.8 | Very low | 52.2 | Low | 77 Ų | 77 | 109.7 Ų | 109.7 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | trans | -44.3 | 138.9 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | K282 S286 S287 K288 | K282-S284 VanDerWaalsContact C-N 3.34Å; K282-S284 PolarHBondContact O-N 3.25Å; S284-S286 PolarHBondContact O-N 3.39Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 PolarHBondContact O-OG 3.13Å; S284-S287 VanDerWaalsContact O-OG 3.07Å; S284-K288 PolarHBondContact O-N 3.4Å | ||
| 285 | C | 56 | Low | 54.6 | Low | 108 Ų | 108 | 105.3 Ų | 105.3 | 73% | 0.73 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -49.8 | -32.6 | 179.9 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | K288 F289 | C285-K288 PolarHBondContact O-N 2.95Å; C285-F289 WeakPolarHBondContact O-CB 3.36Å; C285-F289 PolarHBondContact O-N 3.02Å |
| 286 | S | 59 | Low | 57.3 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 113.6 | S284 F289 S290 | S284-S286 PolarHBondContact O-N 3.39Å; S286-F289 PolarHBondContact O-N 3.37Å; S286-S290 WeakPolarHBondContact O-CB 3.13Å; S286-S290 PolarHBondContact O-N 3.13Å |
| 287 | S | 70.1 | Confident | 60 | Low | 56 Ų | 56 | 103 Ų | 103 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.3 | -29 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | V283 S284 R291 | V283-S287 WeakPolarHBondContact CG1-OG 3.36Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 PolarHBondContact O-OG 3.13Å; S284-S287 VanDerWaalsContact O-OG 3.07Å; S287-R291 WeakPolarHBondContact O-CB 3.19Å; S287-R291 PolarHBondContact O-N 2.84Å |
| 288 | K | 72.5 | Confident | 63 | Low | 86 Ų | 86 | 102.9 Ų | 102.9 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 169.2 | -69.7 | -176 | 176.6 | -176.4 | 0 | 111.7 | Y105 V283 S284 C285 R291 I292 | Y105-K288 WeakPolarHBondContact OH-CD 3.46Å; V283-K288 HydrophobicContact CB-CG 4.26Å; V283-K288 HydrophobicContact CG1-CG 3.64Å; S284-K288 PolarHBondContact O-N 3.4Å; C285-K288 PolarHBondContact O-N 2.95Å; K288-R291 PolarHBondContact O-N 3.38Å; K288-I292 WeakPolarHBondContact O-CD1 3.33Å; K288-I292 WeakPolarHBondContact O-CG1 3.48Å; K288-I292 PolarHBondContact O-N 2.92Å; K288-I292 VanDerWaalsContact O-N 3.07Å |
| 289 | F | 75.5 | Confident | 65.6 | Low | 125 Ų | 125 | 98.9 Ų | 98.9 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177.1 | -176.8 | -101.7 | 0 | 0 | 0 | 111.7 | C285 S286 R291 I292 V293 | C285-F289 WeakPolarHBondContact O-CB 3.36Å; C285-F289 PolarHBondContact O-N 3.02Å; S286-F289 PolarHBondContact O-N 3.37Å; F289-R291 VanDerWaalsContact C-N 3.29Å; F289-R291 PolarHBondContact O-N 3.18Å; F289-I292 PolarHBondContact O-N 3.47Å; F289-I292 VanDerWaalsContact O-N 3.12Å; F289-V293 HydrophobicContact CD1-CG2 4.04Å; F289-V293 HydrophobicContact CE1-CG2 3.62Å; F289-V293 HydrophobicContact CE2-CG2 4.22Å; F289-V293 HydrophobicContact CZ-CG2 3.72Å; F289-V293 WeakPolarHBondContact O-CG2 3.31Å; F289-V293 PolarHBondContact O-N 3.24Å |
| 290 | S | 81.3 | Confident | 68.4 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57 | -41.6 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | S286 V293 G294 | S286-S290 WeakPolarHBondContact O-CB 3.13Å; S286-S290 PolarHBondContact O-N 3.13Å; S290-V293 PolarHBondContact O-N 2.77Å; S290-G294 PolarHBondContact O-N 3.09Å |
| 291 | R | 81.1 | Confident | 71.2 | Confident | 175 Ų | 175 | 91.7 Ų | 91.7 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 176 | -176.2 | 174.6 | 155.1 | 176.8 | -5.9 | 112.7 | S287 K288 F289 G294 L295 | S287-R291 WeakPolarHBondContact O-CB 3.19Å; S287-R291 PolarHBondContact O-N 2.84Å; K288-R291 PolarHBondContact O-N 3.38Å; F289-R291 VanDerWaalsContact C-N 3.29Å; F289-R291 PolarHBondContact O-N 3.18Å; R291-G294 PolarHBondContact O-N 2.96Å; R291-L295 PolarHBondContact O-N 3.01Å |
| 292 | I | 77.7 | Confident | 73.8 | Confident | 15 Ų | 15 | 87.5 Ų | 87.5 | 8% | 0.077 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.2 | -48 | 176.3 | -65.6 | 156.9 | 0 | 0 | 0 | 110.5 | L97 A100 L101 I104 K288 F289 G294 L295 V296 | L97-I292 HydrophobicContact CD2-CG2 3.91Å; A100-I292 HydrophobicContact CB-CG2 4.16Å; L101-I292 HydrophobicContact CD2-CD1 3.3Å; L101-I292 HydrophobicContact CD2-CG1 4.16Å; L101-I292 HydrophobicContact CG-CD1 3.94Å; I104-I292 HydrophobicContact CD1-CG1 4.49Å; K288-I292 WeakPolarHBondContact O-CD1 3.33Å; K288-I292 WeakPolarHBondContact O-CG1 3.48Å; K288-I292 PolarHBondContact O-N 2.92Å; K288-I292 VanDerWaalsContact O-N 3.07Å; F289-I292 PolarHBondContact O-N 3.47Å; F289-I292 VanDerWaalsContact O-N 3.12Å; I292-G294 VanDerWaalsContact C-N 3.25Å; I292-G294 PolarHBondContact O-N 3.34Å; I292-L295 WeakPolarHBondContact O-CB 3.48Å; I292-L295 PolarHBondContact O-N 3.25Å; I292-L295 VanDerWaalsContact O-N 3.08Å; I292-V296 WeakPolarHBondContact O-CG2 3.42Å; I292-V296 PolarHBondContact O-N 3.38Å |
| 293 | V | 80.9 | Confident | 76.4 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | F289 S290 L295 V296 K297 | F289-V293 HydrophobicContact CD1-CG2 4.04Å; F289-V293 HydrophobicContact CE1-CG2 3.62Å; F289-V293 HydrophobicContact CE2-CG2 4.22Å; F289-V293 HydrophobicContact CZ-CG2 3.72Å; F289-V293 WeakPolarHBondContact O-CG2 3.31Å; F289-V293 PolarHBondContact O-N 3.24Å; S290-V293 PolarHBondContact O-N 2.77Å; V293-L295 PolarHBondContact O-N 2.65Å; V293-V296 PolarHBondContact O-N 2.89Å; V293-K297 WeakPolarHBondContact O-CB 3.44Å; V293-K297 PolarHBondContact O-N 3.36Å |
| 294 | G | 85.8 | Confident | 78.6 | Confident | 40 Ų | 40 | 82.8 Ų | 82.8 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.3 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S290 R291 I292 K297 K298 | S290-G294 PolarHBondContact O-N 3.09Å; R291-G294 PolarHBondContact O-N 2.96Å; I292-G294 VanDerWaalsContact C-N 3.25Å; I292-G294 PolarHBondContact O-N 3.34Å; G294-K297 PolarHBondContact O-N 2.81Å; G294-K298 WeakPolarHBondContact O-CB 3.21Å; G294-K298 PolarHBondContact O-N 2.93Å |
| 295 | L | 80.8 | Confident | 81 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 31% | 0.314 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 177.1 | -169.3 | 70.9 | 0 | 0 | 0 | 111.6 | A100 R291 I292 V293 K297 K298 V299 | A100-L295 HydrophobicContact CB-CD2 4.02Å; R291-L295 PolarHBondContact O-N 3.01Å; I292-L295 WeakPolarHBondContact O-CB 3.48Å; I292-L295 PolarHBondContact O-N 3.25Å; I292-L295 VanDerWaalsContact O-N 3.08Å; V293-L295 PolarHBondContact O-N 2.65Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 3.49Å; L295-K298 WeakPolarHBondContact O-CB 3.22Å; L295-K298 PolarHBondContact O-N 3.4Å; L295-K298 VanDerWaalsContact O-N 3.16Å; L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 2.99Å |
| 296 | V | 82.3 | Confident | 82.7 | Confident | 22 Ų | 22 | 78.4 Ų | 78.4 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | T96 L97 A100 I292 V293 K298 V299 L300 | T96-V296 HydrophobicContact CG2-CB 4.42Å; T96-V296 HydrophobicContact CG2-CG1 3.58Å; T96-V296 HydrophobicContact CG2-CG2 3.98Å; L97-V296 HydrophobicContact CD2-CG2 4.26Å; A100-V296 HydrophobicContact CB-CG2 4.2Å; I292-V296 WeakPolarHBondContact O-CG2 3.42Å; I292-V296 PolarHBondContact O-N 3.38Å; V293-V296 PolarHBondContact O-N 2.89Å; V296-K298 VanDerWaalsContact C-N 3.29Å; V296-K298 PolarHBondContact O-N 2.84Å; V296-V299 PolarHBondContact O-N 2.84Å; V296-L300 HydrophobicContact CG1-CD1 3.88Å; V296-L300 HydrophobicContact CG1-CG 4.29Å; V296-L300 WeakPolarHBondContact O-CB 3.47Å; V296-L300 WeakPolarHBondContact O-CG 3.36Å; V296-L300 PolarHBondContact O-N 3.48Å |
| 297 | K | 87.1 | Confident | 84.3 | Confident | 157 Ų | 157 | 74.7 Ų | 74.7 | 68% | 0.683 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.8 | -42.4 | 176.5 | -173.3 | 177.4 | 179.9 | -179.9 | 0 | 111.5 | V293 G294 L295 H301 | V293-K297 WeakPolarHBondContact O-CB 3.44Å; V293-K297 PolarHBondContact O-N 3.36Å; G294-K297 PolarHBondContact O-N 2.81Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 3.49Å; K297-H301 WeakPolarHBondContact O-CB 3.38Å; K297-H301 PolarHBondContact O-N 3.37Å |
| 298 | K | 87 | Confident | 85.4 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 176.2 | -177.2 | 177.9 | 174.3 | 179.8 | 0 | 111.6 | G294 L295 V296 L300 H301 E302 | G294-K298 WeakPolarHBondContact O-CB 3.21Å; G294-K298 PolarHBondContact O-N 2.93Å; L295-K298 WeakPolarHBondContact O-CB 3.22Å; L295-K298 PolarHBondContact O-N 3.4Å; L295-K298 VanDerWaalsContact O-N 3.16Å; V296-K298 VanDerWaalsContact C-N 3.29Å; V296-K298 PolarHBondContact O-N 2.84Å; K298-L300 PolarHBondContact O-N 3.08Å; K298-H301 PolarHBondContact O-N 2.89Å; K298-E302 WeakPolarHBondContact CE-OE1 2.95Å; K298-E302 HydrophobicContact CG-CG 4.44Å; K298-E302 IonicContact NZ-OE1 2.63Å; K298-E302 WeakPolarHBondContact O-CB 3.46Å; K298-E302 WeakPolarHBondContact O-CG 3.48Å; K298-E302 PolarHBondContact O-N 3.46Å |
| 299 | V | 84 | Confident | 86.3 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 35% | 0.345 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 179 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L295 V296 H301 E302 T303 T449 | L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 2.99Å; V296-V299 PolarHBondContact O-N 2.84Å; V299-H301 VanDerWaalsContact C-N 3.35Å; V299-H301 PolarHBondContact O-N 3.32Å; V299-E302 PolarHBondContact O-N 3.45Å; V299-T303 VanDerWaalsContact O-CB 3.29Å; V299-T303 WeakPolarHBondContact O-CB 3.49Å; V299-T303 PolarHBondContact O-N 3.35Å; V299-T303 PolarHBondContact O-OG1 3.49Å; V299-T449 HydrophobicContact CG1-CG2 3.85Å |
| 300 | L | 85.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 43% | 0.429 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.8 | -71 | 174.5 | 0 | 0 | 0 | 111.6 | V296 K298 T303 Y304 L453 | V296-L300 HydrophobicContact CG1-CD1 3.88Å; V296-L300 HydrophobicContact CG1-CG 4.29Å; V296-L300 WeakPolarHBondContact O-CB 3.47Å; V296-L300 WeakPolarHBondContact O-CG 3.36Å; V296-L300 PolarHBondContact O-N 3.48Å; K298-L300 PolarHBondContact O-N 3.08Å; L300-T303 PolarHBondContact O-N 3.04Å; L300-Y304 WeakPolarHBondContact O-CB 3.27Å; L300-Y304 PolarHBondContact O-N 2.88Å; L300-L453 HydrophobicContact CD2-CD1 3.5Å; L300-L453 VanDerWaalsContact CD2-CD1 3.5Å |
| 301 | H | 90.6 | Very high | 87.5 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 178.8 | -178.9 | -102 | 0 | 0 | 0 | 112.2 | K297 K298 V299 T303 Y304 L305 | K297-H301 WeakPolarHBondContact O-CB 3.38Å; K297-H301 PolarHBondContact O-N 3.37Å; K298-H301 PolarHBondContact O-N 2.89Å; V299-H301 VanDerWaalsContact C-N 3.35Å; V299-H301 PolarHBondContact O-N 3.32Å; H301-T303 VanDerWaalsContact C-N 3.32Å; H301-T303 PolarHBondContact O-N 3.4Å; H301-Y304 PolarHBondContact O-N 3.4Å; H301-L305 WeakPolarHBondContact CE1-CD1 3.39Å; H301-L305 WeakPolarHBondContact O-CG 3.46Å; H301-L305 PolarHBondContact O-N 3.35Å |
| 302 | E | 89 | Confident | 87.6 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.6 | -73.9 | -176.5 | -169.8 | 0 | 0 | 112.1 | K298 V299 L305 T306 K446 | K298-E302 WeakPolarHBondContact CE-OE1 2.95Å; K298-E302 HydrophobicContact CG-CG 4.44Å; K298-E302 IonicContact NZ-OE1 2.63Å; K298-E302 WeakPolarHBondContact O-CB 3.46Å; K298-E302 WeakPolarHBondContact O-CG 3.48Å; K298-E302 PolarHBondContact O-N 3.46Å; V299-E302 PolarHBondContact O-N 3.45Å; E302-L305 PolarHBondContact O-N 3.43Å; E302-T306 WeakPolarHBondContact O-CB 3.36Å; E302-T306 PolarHBondContact O-N 3.33Å; E302-T306 PolarHBondContact O-OG1 3.5Å; E302-K446 HydrophobicContact CB-CD 4.42Å |
| 303 | T | 88.5 | Confident | 87.8 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 174.1 | -58.4 | 0 | 0 | 0 | 0 | 110 | V299 L300 H301 L305 T306 Y307 | V299-T303 VanDerWaalsContact O-CB 3.29Å; V299-T303 WeakPolarHBondContact O-CB 3.49Å; V299-T303 PolarHBondContact O-N 3.35Å; V299-T303 PolarHBondContact O-OG1 3.49Å; L300-T303 PolarHBondContact O-N 3.04Å; H301-T303 VanDerWaalsContact C-N 3.32Å; H301-T303 PolarHBondContact O-N 3.4Å; T303-L305 PolarHBondContact O-N 2.94Å; T303-T306 WeakPolarHBondContact O-CB 3.05Å; T303-T306 PolarHBondContact O-N 3.29Å; T303-T306 VanDerWaalsContact O-N 3.11Å; T303-Y307 HydrophobicContact CG2-CD2 4.2Å; T303-Y307 HydrophobicContact CG2-CE2 4.11Å; T303-Y307 WeakPolarHBondContact O-CD2 3.36Å; T303-Y307 PolarHBondContact O-N 2.89Å |
| 304 | Y | 92.6 | Very high | 88.1 | Confident | 146 Ų | 146 | 73.2 Ų | 73.2 | 57% | 0.573 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.2 | -45.9 | 177.8 | 174.6 | -100.4 | 0 | 0 | 0 | 112.7 | L300 H301 T306 Y307 T308 | L300-Y304 WeakPolarHBondContact O-CB 3.27Å; L300-Y304 PolarHBondContact O-N 2.88Å; H301-Y304 PolarHBondContact O-N 3.4Å; Y304-T306 VanDerWaalsContact C-N 3.27Å; Y304-T306 PolarHBondContact O-N 3.02Å; Y304-Y307 PolarHBondContact O-N 2.85Å; Y304-T308 HydrophobicContact CD2-CG2 4.29Å; Y304-T308 HydrophobicContact CE1-CG2 4.21Å; Y304-T308 HydrophobicContact CE2-CG2 3.79Å; Y304-T308 PolarHBondContact O-N 3.02Å; Y304-T308 VanDerWaalsContact O-N 3.11Å; Y304-T308 PolarHBondContact O-OG1 3.23Å |
| 305 | L | 93.5 | Very high | 88.3 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 45% | 0.445 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 176.1 | -73.4 | 178.8 | 0 | 0 | 0 | 111.8 | H301 E302 T303 Y307 T308 K309 | H301-L305 WeakPolarHBondContact CE1-CD1 3.39Å; H301-L305 WeakPolarHBondContact O-CG 3.46Å; H301-L305 PolarHBondContact O-N 3.35Å; E302-L305 PolarHBondContact O-N 3.43Å; T303-L305 PolarHBondContact O-N 2.94Å; L305-Y307 VanDerWaalsContact C-N 3.34Å; L305-Y307 PolarHBondContact O-N 3.38Å; L305-T308 WeakPolarHBondContact CA-OG1 3.31Å; L305-T308 PolarHBondContact O-N 3.3Å; L305-T308 PolarHBondContact O-OG1 3.11Å; L305-K309 WeakPolarHBondContact O-CB 3.38Å; L305-K309 PolarHBondContact O-N 3.39Å |
| 306 | T | 91.5 | Very high | 88.9 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.043 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | -179.7 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | E302 T303 Y304 R311 E443 K446 V447 | E302-T306 WeakPolarHBondContact O-CB 3.36Å; E302-T306 PolarHBondContact O-N 3.33Å; E302-T306 PolarHBondContact O-OG1 3.5Å; T303-T306 WeakPolarHBondContact O-CB 3.05Å; T303-T306 PolarHBondContact O-N 3.29Å; T303-T306 VanDerWaalsContact O-N 3.11Å; Y304-T306 VanDerWaalsContact C-N 3.27Å; Y304-T306 PolarHBondContact O-N 3.02Å; T306-R311 PolarHBondContact O-NH2 2.64Å; T306-E443 HydrophobicContact CG2-CB 3.81Å; T306-E443 HydrophobicContact CG2-CG 4.09Å; T306-K446 HydrophobicContact CG2-CB 4.34Å; T306-K446 WeakPolarHBondContact OG1-CD 3.44Å; T306-V447 HydrophobicContact CG2-CG2 3.65Å |
| 307 | Y | 92.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 78.3 Ų | 78.3 | 4% | 0.043 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -76.1 | -25.8 | 177.9 | -84.5 | -100.6 | 0 | 0 | 0 | 113.6 | T303 Y304 L305 I319 W320 F323 V447 | T303-Y307 HydrophobicContact CG2-CD2 4.2Å; T303-Y307 HydrophobicContact CG2-CE2 4.11Å; T303-Y307 WeakPolarHBondContact O-CD2 3.36Å; T303-Y307 PolarHBondContact O-N 2.89Å; Y304-Y307 PolarHBondContact O-N 2.85Å; L305-Y307 VanDerWaalsContact C-N 3.34Å; L305-Y307 PolarHBondContact O-N 3.38Å; Y307-I319 HydrophobicContact CD1-CG2 3.69Å; Y307-I319 HydrophobicContact CE1-CG2 3.68Å; Y307-W320 PolarHBondContact O-NE1 3.28Å; Y307-F323 HydrophobicContact CE1-CB 3.98Å; Y307-F323 AromaticContact CE1-CD2 3.79Å; Y307-F323 HydrophobicContact CE1-CD2 3.79Å; Y307-F323 AromaticContact CE1-CG 3.98Å; Y307-F323 HydrophobicContact CE1-CG 3.98Å; Y307-F323 AromaticContact CZ-CD2 4Å; Y307-V447 HydrophobicContact CE2-CB 4.48Å; Y307-V447 HydrophobicContact CE2-CG1 4.47Å; Y307-V447 HydrophobicContact CE2-CG2 4.46Å; Y307-V447 PolarHBondContact OH-O 2.99Å |
| 308 | T | 93.4 | Very high | 89.8 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 27% | 0.27 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -97 | -14.5 | -177.7 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | Y304 L305 W320 | Y304-T308 HydrophobicContact CD2-CG2 4.29Å; Y304-T308 HydrophobicContact CE1-CG2 4.21Å; Y304-T308 HydrophobicContact CE2-CG2 3.79Å; Y304-T308 PolarHBondContact O-N 3.02Å; Y304-T308 VanDerWaalsContact O-N 3.11Å; Y304-T308 PolarHBondContact O-OG1 3.23Å; L305-T308 WeakPolarHBondContact CA-OG1 3.31Å; L305-T308 PolarHBondContact O-N 3.3Å; L305-T308 PolarHBondContact O-OG1 3.11Å; T308-W320 HydrophobicContact CG2-CZ2 4.38Å |
| 309 | K | 92.5 | Very high | 90.2 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -49.8 | 127.6 | 177.6 | -168.7 | -179.7 | -174.7 | -174.9 | 0 | 111.3 | L305 R316 E443 | L305-K309 WeakPolarHBondContact O-CB 3.38Å; L305-K309 PolarHBondContact O-N 3.39Å; K309-R316 WeakPolarHBondContact O-CD 3.23Å; K309-E443 VanDerWaalsContact CD-OE1 3.27Å; K309-E443 WeakPolarHBondContact CD-OE1 3.11Å; K309-E443 IonicContact NZ-OE1 2.68Å; K309-E443 PolarHBondContact NZ-OE1 3.46Å |
| 310 | P | 90.9 | Very high | 90.7 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 67% | 0.669 | 33% | 0.33 | S | S | * | . | trans | -63.7 | 137.8 | 172.1 | 26.5 | -31.9 | 0 | 0 | 0 | 109.5 | ||||
| 311 | R | 89.1 | Confident | 91.2 | Very high | 36 Ų | 36 | 64.6 Ų | 64.6 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | trans | -132.6 | 150 | -175.8 | -68.3 | 172.4 | -170 | -122 | -7.2 | 108.9 | T306 N315 R316 L438 V439 E443 | T306-R311 PolarHBondContact O-NH2 2.64Å; R311-N315 HydrophobicContact CB-CB 4.19Å; R311-R316 HydrophobicContact CB-CB 4.4Å; R311-L438 PolarHBondContact NH1-O 2.94Å; R311-V439 VanDerWaalsContact NH1-CA 3.26Å; R311-V439 VanDerWaalsContact NH1-CB 3.34Å; R311-E443 IonicContact CZ-OE2 3.56Å; R311-E443 IonicContact NH1-OE2 3.73Å; R311-E443 IonicContact NH2-OE2 3.71Å; R311-E443 PolarHBondContact NH2-OE2 2.78Å | ||
| 312 | P | 84 | Confident | 91.4 | Very high | 98 Ų | 98 | 59.5 Ų | 59.5 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -58.8 | 150.7 | 171 | 26.3 | -33.1 | 0 | 0 | 0 | 109.9 | N315 | P312-N315 WeakPolarHBondContact O-CB 3.27Å; P312-N315 PolarHBondContact O-ND2 3.01Å |
| 313 | D | 82.4 | Confident | 91.7 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -155.5 | -177.5 | -42.8 | -51.2 | 0 | 0 | 0 | 113.6 | N315 Y506 | D313-N315 PolarHBondContact O-N 3.15Å; D313-Y506 HydrophobicContact CB-CE2 4.49Å; D313-Y506 WeakPolarHBondContact OD1-CE2 3.27Å; D313-Y506 PolarHBondContact OD2-OH 3.26Å |
| 314 | H | 87.2 | Confident | 92 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 15.1 | 174.8 | -59.1 | 106.6 | 0 | 0 | 0 | 112.8 | R316 L317 F318 | H314-R316 VanDerWaalsContact C-N 3.31Å; H314-R316 PolarHBondContact O-N 3.25Å; H314-L317 WeakPolarHBondContact O-CA 3.32Å; H314-L317 WeakPolarHBondContact O-CB 3.48Å; H314-L317 PolarHBondContact O-N 2.75Å; H314-F318 HydrophobicContact CB-CD1 4.36Å; H314-F318 HydrophobicContact CB-CE1 3.79Å; H314-F318 HydrophobicContact CB-CE2 4.1Å; H314-F318 HydrophobicContact CB-CZ 3.65Å; H314-F318 WeakPolarHBondContact O-CG 3.26Å; H314-F318 PolarHBondContact O-N 3.24Å |
| 315 | N | 89.2 | Confident | 92.2 | Very high | 33 Ų | 33 | 53.9 Ų | 53.9 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -37.6 | -173.7 | -69.8 | -36 | 0 | 0 | 0 | 112.9 | R311 P312 D313 L317 F318 I319 | R311-N315 HydrophobicContact CB-CB 4.19Å; P312-N315 WeakPolarHBondContact O-CB 3.27Å; P312-N315 PolarHBondContact O-ND2 3.01Å; D313-N315 PolarHBondContact O-N 3.15Å; N315-L317 VanDerWaalsContact C-N 3.33Å; N315-L317 PolarHBondContact O-N 3.07Å; N315-F318 PolarHBondContact O-N 3.32Å; N315-I319 WeakPolarHBondContact O-CG1 3.28Å; N315-I319 PolarHBondContact O-N 3.29Å |
| 316 | R | 93.3 | Very high | 92.3 | Very high | 119 Ų | 119 | 50.2 Ų | 50.2 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 173.9 | -174.8 | 179.3 | 68.4 | -174.5 | -1.6 | 111.3 | K309 R311 H314 F318 I319 W320 | K309-R316 WeakPolarHBondContact O-CD 3.23Å; R311-R316 HydrophobicContact CB-CB 4.4Å; H314-R316 VanDerWaalsContact C-N 3.31Å; H314-R316 PolarHBondContact O-N 3.25Å; R316-F318 VanDerWaalsContact C-N 3.35Å; R316-I319 PolarHBondContact O-N 3.43Å; R316-W320 VanDerWaalsContact O-CD1 3.32Å; R316-W320 PolarHBondContact O-N 3.24Å |
| 317 | L | 94.1 | Very high | 92.5 | Very high | 78 Ų | 78 | 52.1 Ų | 52.1 | 41% | 0.408 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.6 | 176.6 | 64 | 0 | 0 | 0 | 111.1 | H314 N315 I319 W320 I321 F498 | H314-L317 WeakPolarHBondContact O-CA 3.32Å; H314-L317 WeakPolarHBondContact O-CB 3.48Å; H314-L317 PolarHBondContact O-N 2.75Å; N315-L317 VanDerWaalsContact C-N 3.33Å; N315-L317 PolarHBondContact O-N 3.07Å; L317-I319 VanDerWaalsContact C-N 3.33Å; L317-I319 PolarHBondContact O-N 2.79Å; L317-W320 PolarHBondContact O-N 2.85Å; L317-I321 HydrophobicContact CD1-CD1 4.07Å; L317-I321 HydrophobicContact CD1-CG1 4.25Å; L317-I321 HydrophobicContact CD2-CD1 4.44Å; L317-I321 HydrophobicContact CG-CD1 3.85Å; L317-I321 HydrophobicContact CG-CG1 4.42Å; L317-I321 WeakPolarHBondContact O-CG1 3.22Å; L317-I321 PolarHBondContact O-N 3.33Å; L317-F498 HydrophobicContact CD2-CE1 4.12Å |
| 318 | F | 94.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 178.1 | -60.6 | -20.2 | 0 | 0 | 0 | 112.9 | H314 N315 R316 C322 F434 L438 V499 E502 | H314-F318 HydrophobicContact CB-CD1 4.36Å; H314-F318 HydrophobicContact CB-CE1 3.79Å; H314-F318 HydrophobicContact CB-CE2 4.1Å; H314-F318 HydrophobicContact CB-CZ 3.65Å; H314-F318 WeakPolarHBondContact O-CG 3.26Å; H314-F318 PolarHBondContact O-N 3.24Å; N315-F318 PolarHBondContact O-N 3.32Å; R316-F318 VanDerWaalsContact C-N 3.35Å; F318-C322 WeakPolarHBondContact O-CB 3.28Å; F318-C322 PolarHBondContact O-N 2.84Å; F318-F434 HydrophobicContact CB-CE1 4.4Å; F318-F434 HydrophobicContact CB-CZ 4.28Å; F318-L438 HydrophobicContact CB-CD1 3.71Å; F318-V499 HydrophobicContact CB-CG1 4.37Å; F318-V499 HydrophobicContact CD1-CB 4.29Å; F318-V499 HydrophobicContact CD1-CG1 3.93Å; F318-V499 HydrophobicContact CD1-CG2 3.8Å; F318-V499 HydrophobicContact CE1-CG1 4.32Å; F318-V499 HydrophobicContact CE1-CG2 4.31Å; F318-V499 HydrophobicContact CG-CG1 4.03Å; F318-E502 HydrophobicContact CE1-CB 4.11Å; F318-E502 HydrophobicContact CZ-CB 3.75Å |
| 319 | I | 94.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 174.8 | -66.9 | 165 | 0 | 0 | 0 | 110.6 | Y307 N315 R316 L317 C322 F323 T435 L438 V439 | Y307-I319 HydrophobicContact CD1-CG2 3.69Å; Y307-I319 HydrophobicContact CE1-CG2 3.68Å; N315-I319 WeakPolarHBondContact O-CG1 3.28Å; N315-I319 PolarHBondContact O-N 3.29Å; R316-I319 PolarHBondContact O-N 3.43Å; L317-I319 VanDerWaalsContact C-N 3.33Å; L317-I319 PolarHBondContact O-N 2.79Å; I319-C322 PolarHBondContact O-N 2.83Å; I319-F323 WeakPolarHBondContact O-CB 3.36Å; I319-F323 PolarHBondContact O-N 3.17Å; I319-T435 HydrophobicContact CB-CG2 4.41Å; I319-T435 HydrophobicContact CG1-CG2 3.98Å; I319-T435 HydrophobicContact CG2-CG2 4.07Å; I319-L438 HydrophobicContact CD1-CB 4.14Å; I319-L438 HydrophobicContact CG1-CB 4.02Å; I319-L438 HydrophobicContact CG1-CD1 3.81Å; I319-V439 HydrophobicContact CD1-CG1 3.82Å |
| 320 | W | 95.5 | Very high | 92.7 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 39% | 0.386 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.9 | -82.6 | 101.3 | 0 | 0 | 0 | 112.5 | Y307 T308 R316 L317 C322 F323 S324 | Y307-W320 PolarHBondContact O-NE1 3.28Å; T308-W320 HydrophobicContact CG2-CZ2 4.38Å; R316-W320 VanDerWaalsContact O-CD1 3.32Å; R316-W320 PolarHBondContact O-N 3.24Å; L317-W320 PolarHBondContact O-N 2.85Å; W320-C322 VanDerWaalsContact C-N 3.32Å; W320-C322 PolarHBondContact O-N 3.22Å; W320-F323 HydrophobicContact CZ3-CD1 4.47Å; W320-F323 PolarHBondContact O-N 3.44Å; W320-S324 WeakPolarHBondContact O-CB 3.4Å; W320-S324 PolarHBondContact O-N 3.09Å; W320-S324 PolarHBondContact O-OG 3.24Å; W320-S324 VanDerWaalsContact O-OG 3.11Å |
| 321 | I | 95.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 174.3 | -70.4 | 170.3 | 0 | 0 | 0 | 110.3 | L317 F323 S324 V325 F495 F498 V499 | L317-I321 HydrophobicContact CD1-CD1 4.07Å; L317-I321 HydrophobicContact CD1-CG1 4.25Å; L317-I321 HydrophobicContact CD2-CD1 4.44Å; L317-I321 HydrophobicContact CG-CD1 3.85Å; L317-I321 HydrophobicContact CG-CG1 4.42Å; L317-I321 WeakPolarHBondContact O-CG1 3.22Å; L317-I321 PolarHBondContact O-N 3.33Å; I321-F323 PolarHBondContact O-N 3.42Å; I321-S324 PolarHBondContact O-N 2.93Å; I321-V325 HydrophobicContact CG2-CG2 4.3Å; I321-V325 WeakPolarHBondContact O-CB 3.39Å; I321-V325 WeakPolarHBondContact O-CG2 3.4Å; I321-V325 PolarHBondContact O-N 3.47Å; I321-F495 HydrophobicContact CG2-CB 3.85Å; I321-F498 HydrophobicContact CD1-CD1 4.16Å; I321-F498 HydrophobicContact CD1-CE1 4.41Å; I321-V499 HydrophobicContact CB-CG2 4.11Å; I321-V499 HydrophobicContact CD1-CG2 3.71Å; I321-V499 HydrophobicContact CG2-CG2 3.7Å |
| 322 | C | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 178.5 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | F318 I319 W320 S324 V325 Y326 M431 F434 T435 | F318-C322 WeakPolarHBondContact O-CB 3.28Å; F318-C322 PolarHBondContact O-N 2.84Å; I319-C322 PolarHBondContact O-N 2.83Å; W320-C322 VanDerWaalsContact C-N 3.32Å; W320-C322 PolarHBondContact O-N 3.22Å; C322-S324 PolarHBondContact O-N 3.31Å; C322-V325 PolarHBondContact O-N 2.74Å; C322-Y326 VanDerWaalsContact O-CB 3.26Å; C322-Y326 WeakPolarHBondContact O-CB 3.49Å; C322-Y326 PolarHBondContact O-N 3.49Å; C322-M431 HydrophobicContact CB-CE 4.34Å; C322-M431 WeakPolarHBondContact O-CE 3.4Å; C322-M431 WeakPolarHBondContact SG-CE 3.42Å; C322-F434 HydrophobicContact CB-CD1 4.41Å; C322-F434 HydrophobicContact CB-CE1 4.47Å; C322-T435 PolarHBondContact SG-OG1 3.32Å |
| 323 | F | 95.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 38 Ų | 38 | 18% | 0.184 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 176 | -176.4 | -96.9 | 0 | 0 | 0 | 112.7 | Y307 I319 W320 I321 Y326 F327 G450 F451 | Y307-F323 HydrophobicContact CE1-CB 3.98Å; Y307-F323 AromaticContact CE1-CD2 3.79Å; Y307-F323 HydrophobicContact CE1-CD2 3.79Å; Y307-F323 AromaticContact CE1-CG 3.98Å; Y307-F323 HydrophobicContact CE1-CG 3.98Å; Y307-F323 AromaticContact CZ-CD2 4Å; I319-F323 WeakPolarHBondContact O-CB 3.36Å; I319-F323 PolarHBondContact O-N 3.17Å; W320-F323 HydrophobicContact CZ3-CD1 4.47Å; W320-F323 PolarHBondContact O-N 3.44Å; I321-F323 PolarHBondContact O-N 3.42Å; F323-Y326 PolarHBondContact O-N 3.38Å; F323-F327 VanDerWaalsContact O-CB 3.32Å; F323-F327 WeakPolarHBondContact O-CB 3.41Å; F323-F327 PolarHBondContact O-N 3.14Å; F323-G450 WeakPolarHBondContact CE2-O 3.47Å; F323-F451 HydrophobicContact CB-CE1 4.43Å; F323-F451 HydrophobicContact CD2-CD1 4.06Å; F323-F451 HydrophobicContact CD2-CE1 4.19Å |
| 324 | S | 95.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 36.3 Ų | 36.3 | 41% | 0.413 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64 | -44.3 | 178.9 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | W320 I321 C322 Y326 F327 L328 | W320-S324 WeakPolarHBondContact O-CB 3.4Å; W320-S324 PolarHBondContact O-N 3.09Å; W320-S324 PolarHBondContact O-OG 3.24Å; W320-S324 VanDerWaalsContact O-OG 3.11Å; I321-S324 PolarHBondContact O-N 2.93Å; C322-S324 PolarHBondContact O-N 3.31Å; S324-Y326 VanDerWaalsContact C-N 3.35Å; S324-F327 PolarHBondContact O-N 3.15Å; S324-L328 WeakPolarHBondContact O-CB 3.5Å; S324-L328 WeakPolarHBondContact O-CG 3.46Å; S324-L328 PolarHBondContact O-N 3.46Å |
| 325 | V | 96.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 111 | I321 C322 L328 H329 L395 M431 F495 | I321-V325 HydrophobicContact CG2-CG2 4.3Å; I321-V325 WeakPolarHBondContact O-CB 3.39Å; I321-V325 WeakPolarHBondContact O-CG2 3.4Å; I321-V325 PolarHBondContact O-N 3.47Å; C322-V325 PolarHBondContact O-N 2.74Å; V325-L328 PolarHBondContact O-N 3.47Å; V325-H329 WeakPolarHBondContact O-CB 3.33Å; V325-H329 PolarHBondContact O-N 2.71Å; V325-L395 HydrophobicContact CG1-CD1 4.23Å; V325-L395 HydrophobicContact CG1-CD2 4.21Å; V325-M431 HydrophobicContact CB-CE 3.73Å; V325-M431 HydrophobicContact CG1-CE 3.78Å; V325-M431 HydrophobicContact CG1-SD 4.29Å; V325-F495 HydrophobicContact CG2-CB 4.33Å |
| 326 | Y | 95.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 176.4 | -178.3 | -75.8 | 0 | 0 | 0 | 110.3 | C322 F323 S324 H329 V330 L428 M431 K432 F451 | C322-Y326 VanDerWaalsContact O-CB 3.26Å; C322-Y326 WeakPolarHBondContact O-CB 3.49Å; C322-Y326 PolarHBondContact O-N 3.49Å; F323-Y326 PolarHBondContact O-N 3.38Å; S324-Y326 VanDerWaalsContact C-N 3.35Å; Y326-H329 PolarHBondContact O-N 2.83Å; Y326-V330 HydrophobicContact CD1-CG2 3.93Å; Y326-V330 HydrophobicContact CE1-CG2 3.63Å; Y326-V330 WeakPolarHBondContact O-CG2 3.36Å; Y326-V330 PolarHBondContact O-N 3.39Å; Y326-L428 HydrophobicContact CD2-CD2 3.64Å; Y326-L428 HydrophobicContact CE1-CD2 4.29Å; Y326-L428 HydrophobicContact CE2-CB 4Å; Y326-L428 HydrophobicContact CE2-CD2 3.39Å; Y326-L428 HydrophobicContact CE2-CG 4.24Å; Y326-L428 HydrophobicContact CG-CD2 4.21Å; Y326-M431 HydrophobicContact CD2-CB 4.33Å; Y326-M431 HydrophobicContact CD2-SD 4.4Å; Y326-K432 HydrophobicContact CE2-CG 4.37Å; Y326-K432 WeakPolarHBondContact OH-CE 3.29Å; Y326-F451 AromaticContact CD1-CD1 3.63Å; Y326-F451 HydrophobicContact CD1-CD1 3.63Å; Y326-F451 HydrophobicContact CD1-CE1 4.24Å; Y326-F451 AromaticContact CD2-CD1 3.59Å; Y326-F451 HydrophobicContact CD2-CD1 3.59Å; Y326-F451 AromaticContact CD2-CE1 3.73Å; Y326-F451 HydrophobicContact CD2-CE1 3.73Å; Y326-F451 HydrophobicContact CE1-CB 4.38Å; Y326-F451 HydrophobicContact CE1-CD1 4Å; Y326-F451 AromaticContact CE2-CD1 3.93Å; Y326-F451 HydrophobicContact CE2-CD1 3.93Å; Y326-F451 HydrophobicContact CE2-CE1 4.45Å; Y326-F451 HydrophobicContact CE2-CG 4.46Å; Y326-F451 AromaticContact CG-CD1 3.43Å; Y326-F451 HydrophobicContact CG-CD1 3.43Å; Y326-F451 VanDerWaalsContact CG-CD1 3.43Å; Y326-F451 AromaticContact CG-CE1 3.61Å; Y326-F451 HydrophobicContact CG-CE1 3.61Å |
| 327 | F | 95 | Very high | 92.9 | Very high | 48 Ų | 48 | 28.4 Ų | 28.4 | 21% | 0.211 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -50.3 | 178.7 | -177.7 | -87.8 | 0 | 0 | 0 | 111.4 | F323 S324 H329 V330 V331 G454 V457 A458 L461 | F323-F327 VanDerWaalsContact O-CB 3.32Å; F323-F327 WeakPolarHBondContact O-CB 3.41Å; F323-F327 PolarHBondContact O-N 3.14Å; S324-F327 PolarHBondContact O-N 3.15Å; F327-H329 VanDerWaalsContact C-N 3.32Å; F327-H329 PolarHBondContact O-N 3.08Å; F327-V330 PolarHBondContact O-N 3.45Å; F327-V331 HydrophobicContact CD1-CG2 4.05Å; F327-V331 HydrophobicContact CE1-CG2 3.79Å; F327-V331 HydrophobicContact CZ-CG2 4.32Å; F327-V331 WeakPolarHBondContact O-CG2 3.47Å; F327-V331 PolarHBondContact O-N 2.87Å; F327-G454 WeakPolarHBondContact CD2-O 3.39Å; F327-G454 WeakPolarHBondContact CE2-O 3.22Å; F327-V457 HydrophobicContact CE2-CB 4.23Å; F327-V457 HydrophobicContact CE2-CG1 4.04Å; F327-V457 HydrophobicContact CZ-CG1 4.28Å; F327-A458 HydrophobicContact CD2-CB 3.79Å; F327-A458 HydrophobicContact CE2-CB 3.78Å; F327-A458 HydrophobicContact CG-CB 4.24Å; F327-A458 HydrophobicContact CZ-CB 4.23Å; F327-L461 HydrophobicContact CE1-CD1 4.28Å; F327-L461 HydrophobicContact CZ-CD1 3.62Å |
| 328 | L | 94.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 29% | 0.288 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 177.6 | -74 | 172.6 | 0 | 0 | 0 | 112.1 | S324 V325 V331 V332 | S324-L328 WeakPolarHBondContact O-CB 3.5Å; S324-L328 WeakPolarHBondContact O-CG 3.46Å; S324-L328 PolarHBondContact O-N 3.46Å; V325-L328 PolarHBondContact O-N 3.47Å; L328-V331 PolarHBondContact O-N 3.33Å; L328-V332 WeakPolarHBondContact O-CG2 3.33Å; L328-V332 PolarHBondContact O-N 3.37Å |
| 329 | H | 95.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.4 | -177.7 | 70.8 | 0 | 0 | 0 | 111.9 | V325 Y326 F327 V331 V332 D333 L427 | V325-H329 WeakPolarHBondContact O-CB 3.33Å; V325-H329 PolarHBondContact O-N 2.71Å; Y326-H329 PolarHBondContact O-N 2.83Å; F327-H329 VanDerWaalsContact C-N 3.32Å; F327-H329 PolarHBondContact O-N 3.08Å; H329-V331 VanDerWaalsContact C-N 3.34Å; H329-V331 PolarHBondContact O-N 2.88Å; H329-V332 PolarHBondContact O-N 2.96Å; H329-D333 VanDerWaalsContact O-CB 3.3Å; H329-D333 WeakPolarHBondContact O-CB 3.24Å; H329-D333 PolarHBondContact O-N 3.49Å; H329-L427 HydrophobicContact CB-CD2 4.02Å; H329-L427 VanDerWaalsContact CG-CD2 3.42Å; H329-L427 WeakPolarHBondContact ND1-CD2 3.47Å |
| 330 | V | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | Y326 F327 V332 M334 L428 A458 | Y326-V330 HydrophobicContact CD1-CG2 3.93Å; Y326-V330 HydrophobicContact CE1-CG2 3.63Å; Y326-V330 WeakPolarHBondContact O-CG2 3.36Å; Y326-V330 PolarHBondContact O-N 3.39Å; F327-V330 PolarHBondContact O-N 3.45Å; V330-V332 VanDerWaalsContact C-N 3.3Å; V330-V332 PolarHBondContact O-N 3.19Å; V330-M334 HydrophobicContact CG1-CG 3.86Å; V330-M334 VanDerWaalsContact O-CB 3.31Å; V330-M334 WeakPolarHBondContact O-CB 3.47Å; V330-M334 WeakPolarHBondContact O-CG 3.31Å; V330-M334 PolarHBondContact O-N 3.46Å; V330-L428 HydrophobicContact CG2-CD2 3.94Å; V330-A458 HydrophobicContact CB-CB 3.86Å; V330-A458 HydrophobicContact CG1-CB 3.63Å |
| 331 | V | 93.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | F327 L328 H329 G335 A458 S462 L465 | F327-V331 HydrophobicContact CD1-CG2 4.05Å; F327-V331 HydrophobicContact CE1-CG2 3.79Å; F327-V331 HydrophobicContact CZ-CG2 4.32Å; F327-V331 WeakPolarHBondContact O-CG2 3.47Å; F327-V331 PolarHBondContact O-N 2.87Å; L328-V331 PolarHBondContact O-N 3.33Å; H329-V331 VanDerWaalsContact C-N 3.34Å; H329-V331 PolarHBondContact O-N 2.88Å; V331-G335 PolarHBondContact O-N 3.45Å; V331-A458 HydrophobicContact CG2-CB 3.6Å; V331-S462 WeakPolarHBondContact O-CB 3.26Å; V331-L465 HydrophobicContact CG1-CD1 4.09Å |
| 332 | V | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74.1 | -42.4 | -176 | 168.8 | 0 | 0 | 0 | 0 | 112.3 | L328 H329 V330 L336 R402 L488 | L328-V332 WeakPolarHBondContact O-CG2 3.33Å; L328-V332 PolarHBondContact O-N 3.37Å; H329-V332 PolarHBondContact O-N 2.96Å; V330-V332 VanDerWaalsContact C-N 3.3Å; V330-V332 PolarHBondContact O-N 3.19Å; V332-L336 HydrophobicContact CG1-CD1 4.26Å; V332-L336 WeakPolarHBondContact O-CB 3.41Å; V332-L336 WeakPolarHBondContact O-CG 3.45Å; V332-L336 PolarHBondContact O-N 3.25Å; V332-R402 VanDerWaalsContact CG1-NH1 3.27Å; V332-R402 PolarHBondContact O-NH1 3.21Å; V332-R402 VanDerWaalsContact O-NH1 3.11Å; V332-L488 HydrophobicContact CG2-CB 3.98Å; V332-L488 HydrophobicContact CG2-CD1 3.56Å; V332-L488 HydrophobicContact CG2-CG 4.41Å |
| 333 | D | 91.7 | Very high | 90.5 | Very high | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.118 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.7 | -51.2 | -176.1 | -167.9 | 53.4 | 0 | 0 | 0 | 112.5 | H329 G335 L336 Q337 R402 | H329-D333 VanDerWaalsContact O-CB 3.3Å; H329-D333 WeakPolarHBondContact O-CB 3.24Å; H329-D333 PolarHBondContact O-N 3.49Å; D333-G335 VanDerWaalsContact C-N 3.34Å; D333-G335 PolarHBondContact O-N 3.2Å; D333-L336 PolarHBondContact O-N 3.35Å; D333-Q337 WeakPolarHBondContact O-CG 3.28Å; D333-Q337 PolarHBondContact O-N 3.29Å; D333-Q337 PolarHBondContact OD1-NE2 2.76Å; D333-Q337 PolarHBondContact OD2-NE2 2.9Å; D333-R402 IonicContact OD1-CZ 2.84Å; D333-R402 IonicContact OD1-NH2 3.89Å; D333-R402 PolarHBondContact OD1-NH2 2.69Å |
| 334 | M | 86 | Confident | 90.5 | Very high | 46 Ų | 46 | 22.5 Ų | 22.5 | 23% | 0.227 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | -178 | -65.2 | -66.5 | 162.6 | 0 | 0 | 111.9 | V330 H338 | V330-M334 HydrophobicContact CG1-CG 3.86Å; V330-M334 VanDerWaalsContact O-CB 3.31Å; V330-M334 WeakPolarHBondContact O-CB 3.47Å; V330-M334 WeakPolarHBondContact O-CG 3.31Å; V330-M334 PolarHBondContact O-N 3.46Å; M334-H338 PolarHBondContact O-N 3.13Å |
| 335 | G | 84.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V331 D333 S339 S462 | V331-G335 PolarHBondContact O-N 3.45Å; D333-G335 VanDerWaalsContact C-N 3.34Å; D333-G335 PolarHBondContact O-N 3.2Å; G335-S339 PolarHBondContact O-OG 3.35Å; G335-S339 VanDerWaalsContact O-OG 3.09Å; G335-S462 PolarHBondContact N-OG 2.98Å |
| 336 | L | 90 | Very high | 90.2 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -72.3 | -53.2 | 178.4 | -73.3 | 178.9 | 0 | 0 | 0 | 111.5 | V332 D333 H338 V340 F341 L466 V481 F482 | V332-L336 HydrophobicContact CG1-CD1 4.26Å; V332-L336 WeakPolarHBondContact O-CB 3.41Å; V332-L336 WeakPolarHBondContact O-CG 3.45Å; V332-L336 PolarHBondContact O-N 3.25Å; D333-L336 PolarHBondContact O-N 3.35Å; L336-H338 PolarHBondContact O-N 3.38Å; L336-V340 HydrophobicContact CD2-CB 4.13Å; L336-V340 HydrophobicContact CD2-CG1 3.96Å; L336-F341 WeakPolarHBondContact O-CA 3.41Å; L336-F341 WeakPolarHBondContact O-CB 3.4Å; L336-F341 PolarHBondContact O-N 3.44Å; L336-L466 HydrophobicContact CD1-CD1 4.45Å; L336-L466 HydrophobicContact CD2-CD1 3.89Å; L336-L466 HydrophobicContact CG-CD1 3.6Å; L336-V481 HydrophobicContact CD2-CB 4.26Å; L336-V481 HydrophobicContact CD2-CG1 3.64Å; L336-F482 HydrophobicContact CB-CE1 4.39Å; L336-F482 HydrophobicContact CD1-CD1 3.65Å; L336-F482 HydrophobicContact CD1-CE1 4.08Å; L336-F482 HydrophobicContact CD2-CD1 3.95Å; L336-F482 HydrophobicContact CD2-CE1 3.81Å; L336-F482 HydrophobicContact CD2-CZ 4.35Å; L336-F482 HydrophobicContact CG-CD1 4.32Å; L336-F482 HydrophobicContact CG-CE1 4.3Å |
| 337 | Q | 82.3 | Confident | 90 | Very high | 85 Ų | 85 | 21.1 Ų | 21.1 | 40% | 0.397 | 10% | 0.102 | S | C | . | . | I | π-helix | trans | -67.8 | -35.7 | -170.1 | -67.8 | -167 | 16.7 | 0 | 0 | 114.9 | D333 R361 | D333-Q337 WeakPolarHBondContact O-CG 3.28Å; D333-Q337 PolarHBondContact O-N 3.29Å; D333-Q337 PolarHBondContact OD1-NE2 2.76Å; D333-Q337 PolarHBondContact OD2-NE2 2.9Å; Q337-R361 PolarHBondContact O-NH2 2.75Å; Q337-R361 VanDerWaalsContact O-NH2 3.13Å |
| 338 | H | 72.3 | Confident | 89.8 | Confident | 83 Ų | 83 | 23.3 Ų | 23.3 | 38% | 0.384 | 11% | 0.109 | S | C | . | . | I | π-helix | trans | -85.7 | -24.7 | -171.4 | -77.1 | -73.2 | 0 | 0 | 0 | 114.7 | M334 L336 | M334-H338 PolarHBondContact O-N 3.13Å; L336-H338 PolarHBondContact O-N 3.38Å |
| 339 | S | 78.2 | Confident | 89.6 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -135.3 | -68.4 | -172.1 | 53.3 | 0 | 0 | 0 | 0 | 113 | G335 F341 N342 L343 N467 | G335-S339 PolarHBondContact O-OG 3.35Å; G335-S339 VanDerWaalsContact O-OG 3.09Å; S339-F341 VanDerWaalsContact C-N 3.34Å; S339-F341 PolarHBondContact O-N 3.12Å; S339-N342 PolarHBondContact O-N 3.27Å; S339-L343 PolarHBondContact O-N 3.22Å; S339-N467 WeakPolarHBondContact CB-OD1 2.97Å; S339-N467 PolarHBondContact OG-ND2 3.39Å; S339-N467 PolarHBondContact OG-OD1 3.42Å |
| 340 | V | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -60.4 | -40.7 | -172.6 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | L336 N342 L343 F344 L466 N467 Y470 V481 | L336-V340 HydrophobicContact CD2-CB 4.13Å; L336-V340 HydrophobicContact CD2-CG1 3.96Å; V340-N342 PolarHBondContact O-N 3.45Å; V340-L343 WeakPolarHBondContact O-CB 3.45Å; V340-L343 PolarHBondContact O-N 3.06Å; V340-F344 WeakPolarHBondContact O-CB 3.27Å; V340-F344 PolarHBondContact O-N 2.64Å; V340-L466 HydrophobicContact CG2-CB 4.3Å; V340-N467 HydrophobicContact CG2-CB 4.4Å; V340-N467 WeakPolarHBondContact CG2-OD1 3.35Å; V340-Y470 HydrophobicContact CG1-CD2 3.5Å; V340-Y470 HydrophobicContact CG1-CE2 4.08Å; V340-Y470 HydrophobicContact CG1-CG 3.84Å; V340-Y470 HydrophobicContact CG2-CG 4.46Å; V340-V481 HydrophobicContact CG1-CB 4.35Å; V340-V481 HydrophobicContact CG1-CG1 4.28Å; V340-V481 HydrophobicContact CG1-CG2 4.49Å |
| 341 | F | 93.5 | Very high | 89.4 | Confident | 17 Ų | 17 | 28 Ų | 28 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | -178.8 | -179.1 | -97.7 | 0 | 0 | 0 | 112.3 | L336 S339 L343 F344 L345 Y360 T405 I414 F482 | L336-F341 WeakPolarHBondContact O-CA 3.41Å; L336-F341 WeakPolarHBondContact O-CB 3.4Å; L336-F341 PolarHBondContact O-N 3.44Å; S339-F341 VanDerWaalsContact C-N 3.34Å; S339-F341 PolarHBondContact O-N 3.12Å; F341-L343 VanDerWaalsContact C-N 3.34Å; F341-L343 PolarHBondContact O-N 3.44Å; F341-F344 WeakPolarHBondContact O-CB 3.38Å; F341-F344 PolarHBondContact O-N 2.96Å; F341-L345 HydrophobicContact CD1-CD1 3.76Å; F341-L345 HydrophobicContact CD1-CG 4.25Å; F341-L345 HydrophobicContact CE1-CD1 3.17Å; F341-L345 HydrophobicContact CE1-CD2 4.42Å; F341-L345 HydrophobicContact CE1-CG 3.89Å; F341-L345 HydrophobicContact CE2-CD2 4.45Å; F341-L345 HydrophobicContact CE2-CG 4.48Å; F341-L345 HydrophobicContact CZ-CD1 3.65Å; F341-L345 HydrophobicContact CZ-CD2 4.07Å; F341-L345 HydrophobicContact CZ-CG 4.02Å; F341-L345 VanDerWaalsContact O-CG 3.31Å; F341-L345 WeakPolarHBondContact O-CG 2.98Å; F341-L345 PolarHBondContact O-N 3.44Å; F341-Y360 HydrophobicContact CD1-CE1 4.34Å; F341-Y360 AromaticContact CE1-CD1 3.73Å; F341-Y360 HydrophobicContact CE1-CD1 3.73Å; F341-Y360 AromaticContact CE1-CE1 3.15Å; F341-Y360 HydrophobicContact CE1-CE1 3.15Å; F341-Y360 AromaticContact CE1-CZ 3.91Å; F341-Y360 HydrophobicContact CZ-CD1 4.09Å; F341-Y360 AromaticContact CZ-CE1 3.31Å; F341-Y360 HydrophobicContact CZ-CE1 3.31Å; F341-Y360 AromaticContact CZ-CZ 3.55Å; F341-Y360 WeakPolarHBondContact CZ-OH 3.43Å; F341-T405 HydrophobicContact CD2-CG2 4.03Å; F341-T405 HydrophobicContact CE2-CG2 3.7Å; F341-I414 HydrophobicContact CE2-CD1 4.46Å; F341-I414 HydrophobicContact CE2-CG2 4.43Å; F341-I414 HydrophobicContact CZ-CG2 3.82Å; F341-F482 HydrophobicContact CB-CZ 4.42Å; F341-F482 AromaticContact CD2-CE1 3.81Å; F341-F482 HydrophobicContact CD2-CE1 3.81Å; F341-F482 AromaticContact CD2-CZ 3.79Å; F341-F482 HydrophobicContact CD2-CZ 3.79Å |
| 342 | N | 92 | Very high | 89.4 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.6 | -70.4 | -12.9 | 0 | 0 | 0 | 111.5 | Q42 S339 V340 L345 M346 I357 R361 | Q42-N342 HydrophobicContact CG-CB 3.88Å; S339-N342 PolarHBondContact O-N 3.27Å; V340-N342 PolarHBondContact O-N 3.45Å; N342-L345 PolarHBondContact O-N 2.78Å; N342-M346 WeakPolarHBondContact O-CG 3.16Å; N342-M346 PolarHBondContact O-N 3.45Å; N342-I357 WeakPolarHBondContact OD1-CG2 3.5Å; N342-R361 PolarHBondContact ND2-NH2 3.39Å; N342-R361 VanDerWaalsContact ND2-NH2 3.2Å |
| 343 | L | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.8 | -74.2 | 169.9 | 0 | 0 | 0 | 111.9 | Y46 Q73 A76 S339 V340 F341 M346 R347 Y470 | Y46-L343 HydrophobicContact CD2-CD2 4Å; Y46-L343 HydrophobicContact CE2-CD2 4.31Å; Q73-L343 PolarHBondContact NE2-O 2.9Å; Q73-L343 PolarHBondContact OE1-O 3.16Å; A76-L343 HydrophobicContact CB-CD2 3.64Å; S339-L343 PolarHBondContact O-N 3.22Å; V340-L343 WeakPolarHBondContact O-CB 3.45Å; V340-L343 PolarHBondContact O-N 3.06Å; F341-L343 VanDerWaalsContact C-N 3.34Å; F341-L343 PolarHBondContact O-N 3.44Å; L343-M346 HydrophobicContact CD2-CE 3.76Å; L343-M346 HydrophobicContact CG-CE 4.36Å; L343-M346 PolarHBondContact O-N 3.18Å; L343-R347 PolarHBondContact O-N 2.97Å; L343-Y470 HydrophobicContact CB-CE1 3.94Å; L343-Y470 HydrophobicContact CD1-CD1 4.44Å; L343-Y470 HydrophobicContact CD1-CE1 4.27Å |
| 344 | F | 94.4 | Very high | 89.3 | Confident | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 174.8 | 174.3 | -98.4 | 0 | 0 | 0 | 111.7 | V340 F341 M346 R347 L350 T405 S408 I414 P478 F482 | V340-F344 WeakPolarHBondContact O-CB 3.27Å; V340-F344 PolarHBondContact O-N 2.64Å; F341-F344 WeakPolarHBondContact O-CB 3.38Å; F341-F344 PolarHBondContact O-N 2.96Å; F344-M346 PolarHBondContact O-N 3.33Å; F344-R347 WeakPolarHBondContact O-CB 3.38Å; F344-R347 PolarHBondContact O-N 3.28Å; F344-L350 HydrophobicContact CD1-CD1 4.35Å; F344-L350 HydrophobicContact CE1-CD1 3.88Å; F344-L350 HydrophobicContact CZ-CD1 4.49Å; F344-T405 HydrophobicContact CE1-CG2 4.43Å; F344-S408 VanDerWaalsContact CE1-OG 3.29Å; F344-S408 WeakPolarHBondContact CE1-OG 3.38Å; F344-S408 WeakPolarHBondContact CZ-OG 3.26Å; F344-I414 HydrophobicContact CE1-CD1 4.15Å; F344-P478 HydrophobicContact CD2-CB 3.96Å; F344-P478 HydrophobicContact CE2-CB 4.21Å; F344-P478 HydrophobicContact CE2-CG 4.37Å; F344-F482 HydrophobicContact CB-CE2 4.02Å; F344-F482 HydrophobicContact CB-CZ 4.17Å; F344-F482 AromaticContact CD1-CE2 3.8Å; F344-F482 HydrophobicContact CD1-CE2 3.8Å; F344-F482 HydrophobicContact CD1-CZ 4.05Å; F344-F482 AromaticContact CD2-CE2 3.71Å; F344-F482 HydrophobicContact CD2-CE2 3.71Å; F344-F482 HydrophobicContact CE1-CE2 4.17Å; F344-F482 HydrophobicContact CE2-CE2 4.1Å; F344-F482 AromaticContact CG-CE2 3.56Å; F344-F482 HydrophobicContact CG-CE2 3.56Å; F344-F482 HydrophobicContact CG-CZ 4.02Å; F344-F482 HydrophobicContact CZ-CE2 4.32Å |
| 345 | L | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.1 | -68.6 | -179.5 | 0 | 0 | 0 | 113.1 | F341 N342 R347 L350 S351 W352 I357 Y360 I414 | F341-L345 HydrophobicContact CD1-CD1 3.76Å; F341-L345 HydrophobicContact CD1-CG 4.25Å; F341-L345 HydrophobicContact CE1-CD1 3.17Å; F341-L345 HydrophobicContact CE1-CD2 4.42Å; F341-L345 HydrophobicContact CE1-CG 3.89Å; F341-L345 HydrophobicContact CE2-CD2 4.45Å; F341-L345 HydrophobicContact CE2-CG 4.48Å; F341-L345 HydrophobicContact CZ-CD1 3.65Å; F341-L345 HydrophobicContact CZ-CD2 4.07Å; F341-L345 HydrophobicContact CZ-CG 4.02Å; F341-L345 VanDerWaalsContact O-CG 3.31Å; F341-L345 WeakPolarHBondContact O-CG 2.98Å; F341-L345 PolarHBondContact O-N 3.44Å; N342-L345 PolarHBondContact O-N 2.78Å; L345-R347 PolarHBondContact O-N 2.92Å; L345-L350 HydrophobicContact CD2-CD1 3.77Å; L345-L350 WeakPolarHBondContact O-CB 3.35Å; L345-S351 PolarHBondContact O-N 3.5Å; L345-W352 HydrophobicContact CB-CB 4.23Å; L345-W352 HydrophobicContact CB-CD2 4.36Å; L345-W352 HydrophobicContact CB-CE3 4.16Å; L345-W352 HydrophobicContact CB-CG 4.42Å; L345-W352 HydrophobicContact CD1-CD2 4.47Å; L345-W352 HydrophobicContact CD1-CE3 3.57Å; L345-W352 HydrophobicContact CD1-CZ3 3.64Å; L345-W352 HydrophobicContact CD2-CD2 4.21Å; L345-W352 HydrophobicContact CD2-CE3 4Å; L345-W352 HydrophobicContact CD2-CH2 4.37Å; L345-W352 HydrophobicContact CD2-CZ3 4.04Å; L345-W352 HydrophobicContact CG-CE3 4.13Å; L345-W352 HydrophobicContact CG-CZ3 4.39Å; L345-W352 WeakPolarHBondContact O-CB 3.39Å; L345-W352 PolarHBondContact O-N 3.21Å; L345-I357 HydrophobicContact CB-CD1 4.38Å; L345-I357 HydrophobicContact CB-CG1 4.21Å; L345-I357 HydrophobicContact CD1-CG1 4.12Å; L345-Y360 HydrophobicContact CD1-CD1 4.46Å; L345-I414 HydrophobicContact CD2-CD1 3.73Å; L345-I414 HydrophobicContact CD2-CG1 3.8Å; L345-I414 HydrophobicContact CD2-CG2 4.29Å |
| 346 | M | 92 | Very high | 90.2 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.7 | -18.7 | 176.6 | -73 | -173.4 | -67.3 | 0 | 0 | 112.6 | Q42 T43 Y46 N342 L343 F344 I357 | Q42-M346 HydrophobicContact CG-CE 4.22Å; T43-M346 HydrophobicContact CG2-SD 3.78Å; Y46-M346 HydrophobicContact CD1-SD 4.48Å; Y46-M346 HydrophobicContact CD2-CE 3.99Å; Y46-M346 HydrophobicContact CG-CE 4.2Å; Y46-M346 HydrophobicContact CG-SD 4.24Å; N342-M346 WeakPolarHBondContact O-CG 3.16Å; N342-M346 PolarHBondContact O-N 3.45Å; L343-M346 HydrophobicContact CD2-CE 3.76Å; L343-M346 HydrophobicContact CG-CE 4.36Å; L343-M346 PolarHBondContact O-N 3.18Å; F344-M346 PolarHBondContact O-N 3.33Å; M346-I357 HydrophobicContact CG-CD1 3.57Å; M346-I357 HydrophobicContact SD-CD1 4.38Å |
| 347 | R | 91.5 | Very high | 90.4 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -80.1 | 148.6 | -179.4 | -157.8 | -173.7 | 173.5 | 174 | -2.3 | 111.8 | E69 D70 Q73 L343 F344 L345 L350 S351 V474 | E69-R347 WeakPolarHBondContact OE1-CA 3.44Å; E69-R347 WeakPolarHBondContact OE1-CG 3.46Å; E69-R347 IonicContact OE2-NE 3.54Å; D70-R347 IonicContact OD1-CZ 2.66Å; D70-R347 IonicContact OD1-NE 3.1Å; D70-R347 IonicContact OD1-NH1 3.66Å; D70-R347 IonicContact OD1-NH2 3.31Å; D70-R347 PolarHBondContact OD1-NH2 2.86Å; D70-R347 IonicContact OD2-NH2 2.95Å; Q73-R347 HydrophobicContact CG-CG 4.48Å; L343-R347 PolarHBondContact O-N 2.97Å; F344-R347 WeakPolarHBondContact O-CB 3.38Å; F344-R347 PolarHBondContact O-N 3.28Å; L345-R347 PolarHBondContact O-N 2.92Å; R347-L350 PolarHBondContact O-N 3.12Å; R347-L350 VanDerWaalsContact O-N 3.08Å; R347-S351 PolarHBondContact O-N 3.47Å; R347-V474 PolarHBondContact NH1-O 2.83Å |
| 348 | R | 89.6 | Confident | 91 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 36% | 0.355 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 144.5 | 162 | 24.3 | 174.2 | -91.1 | 160.4 | 3.3 | 111.5 | S63 E69 | S63-R348 WeakPolarHBondContact O-CD 3.13Å; S63-R348 PolarHBondContact O-NH1 3.41Å; E69-R348 VanDerWaalsContact CD-CG 3.42Å; E69-R348 WeakPolarHBondContact OE1-CG 2.97Å; E69-R348 PolarHBondContact OE1-N 3.3Å; E69-R348 WeakPolarHBondContact OE2-CD 2.8Å; E69-R348 WeakPolarHBondContact OE2-CG 2.9Å; E69-R348 IonicContact OE2-NE 2.69Å |
| 349 | P | 90.3 | Very high | 92.2 | Very high | 92 Ų | 92 | 29.6 Ų | 29.6 | 60% | 0.597 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -82.3 | -7.1 | 6.9 | 33 | -37 | 0 | 0 | 0 | 115.2 | T409 | P349-T409 HydrophobicContact CG-CG2 4.38Å; P349-T409 WeakPolarHBondContact CG-O 3.37Å |
| 350 | L | 92.5 | Very high | 93 | Very high | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -47.7 | -176.4 | -69.4 | 169.7 | 0 | 0 | 0 | 111.7 | F344 L345 R347 W352 I414 | F344-L350 HydrophobicContact CD1-CD1 4.35Å; F344-L350 HydrophobicContact CE1-CD1 3.88Å; F344-L350 HydrophobicContact CZ-CD1 4.49Å; L345-L350 HydrophobicContact CD2-CD1 3.77Å; L345-L350 WeakPolarHBondContact O-CB 3.35Å; R347-L350 PolarHBondContact O-N 3.12Å; R347-L350 VanDerWaalsContact O-N 3.08Å; L350-W352 HydrophobicContact CB-CG 4.46Å; L350-W352 PolarHBondContact O-N 3.28Å; L350-I414 HydrophobicContact CD1-CD1 4.27Å; L350-I414 HydrophobicContact CD1-CG1 4.28Å |
| 351 | S | 91.5 | Very high | 93.1 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | trans | 48.6 | 42.5 | 179.2 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | L345 R347 | L345-S351 PolarHBondContact O-N 3.5Å; R347-S351 PolarHBondContact O-N 3.47Å | ||
| 352 | W | 93.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 9% | 0.087 | 17% | 0.165 | C | C | . | . | trans | -67.8 | 137.2 | -176.8 | -78.5 | 17.1 | 0 | 0 | 0 | 111.9 | L345 L350 N356 I357 Y360 I414 Y415 | L345-W352 HydrophobicContact CB-CB 4.23Å; L345-W352 HydrophobicContact CB-CD2 4.36Å; L345-W352 HydrophobicContact CB-CE3 4.16Å; L345-W352 HydrophobicContact CB-CG 4.42Å; L345-W352 HydrophobicContact CD1-CD2 4.47Å; L345-W352 HydrophobicContact CD1-CE3 3.57Å; L345-W352 HydrophobicContact CD1-CZ3 3.64Å; L345-W352 HydrophobicContact CD2-CD2 4.21Å; L345-W352 HydrophobicContact CD2-CE3 4Å; L345-W352 HydrophobicContact CD2-CH2 4.37Å; L345-W352 HydrophobicContact CD2-CZ3 4.04Å; L345-W352 HydrophobicContact CG-CE3 4.13Å; L345-W352 HydrophobicContact CG-CZ3 4.39Å; L345-W352 WeakPolarHBondContact O-CB 3.39Å; L345-W352 PolarHBondContact O-N 3.21Å; L350-W352 HydrophobicContact CB-CG 4.46Å; L350-W352 PolarHBondContact O-N 3.28Å; W352-N356 HydrophobicContact CB-CB 4.05Å; W352-N356 HydrophobicContact CD2-CB 3.94Å; W352-N356 HydrophobicContact CE3-CB 3.98Å; W352-N356 HydrophobicContact CG-CB 3.99Å; W352-I357 HydrophobicContact CB-CG1 4.02Å; W352-I357 HydrophobicContact CE3-CG1 4.08Å; W352-Y360 HydrophobicContact CH2-CD2 4.23Å; W352-Y360 HydrophobicContact CH2-CG 4.1Å; W352-Y360 VanDerWaalsContact CZ3-CB 3.42Å; W352-Y360 HydrophobicContact CZ3-CD1 4.34Å; W352-Y360 HydrophobicContact CZ3-CD2 4.36Å; W352-Y360 AromaticContact CZ3-CG 3.77Å; W352-Y360 HydrophobicContact CZ3-CG 3.77Å; W352-I414 HydrophobicContact CH2-CB 4.07Å; W352-I414 HydrophobicContact CH2-CG1 4.36Å; W352-I414 HydrophobicContact CH2-CG2 3.92Å; W352-I414 HydrophobicContact CZ2-CB 4.33Å; W352-I414 HydrophobicContact CZ2-CG1 4.31Å; W352-Y415 AromaticContact CH2-CE2 3.82Å; W352-Y415 HydrophobicContact CH2-CE2 3.82Å; W352-Y415 HydrophobicContact CZ2-CE2 4.14Å | ||
| 353 | T | 92 | Very high | 93.4 | Very high | 75 Ų | 75 | 33 Ų | 33 | 46% | 0.46 | 18% | 0.176 | S | C | . | . | trans | -77.9 | 166.9 | 171.5 | 63.6 | 0 | 0 | 0 | 0 | 111 | E355 N356 I357 | T353-E355 PolarHBondContact O-N 2.71Å; T353-N356 PolarHBondContact O-N 3.03Å; T353-N356 VanDerWaalsContact O-N 3.16Å; T353-N356 PolarHBondContact OG1-N 3.3Å; T353-I357 WeakPolarHBondContact O-CG1 3.19Å; T353-I357 PolarHBondContact O-N 3.45Å; T353-I357 VanDerWaalsContact O-N 3.11Å | ||
| 354 | A | 92.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 12% | 0.124 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.1 | -35.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V39 T43 I199 S358 | V39-A354 HydrophobicContact CG1-CB 4.22Å; V39-A354 WeakPolarHBondContact CG1-O 3.48Å; T43-A354 HydrophobicContact CG2-CB 3.76Å; I199-A354 HydrophobicContact CG2-CB 3.57Å; A354-S358 WeakPolarHBondContact O-CB 3.5Å; A354-S358 PolarHBondContact O-N 3.17Å |
| 355 | E | 94.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -51.5 | 175.5 | 178.8 | 179.8 | 176 | 0 | 0 | 111 | I199 R200 T353 I357 S358 L359 | I199-E355 HydrophobicContact CG2-CB 4.35Å; R200-E355 HydrophobicContact CB-CG 4.5Å; R200-E355 WeakPolarHBondContact CD-OE1 3.37Å; R200-E355 WeakPolarHBondContact CG-OE2 3.44Å; R200-E355 IonicContact NH1-OE1 3.21Å; R200-E355 PolarHBondContact NH1-OE1 3.48Å; R200-E355 VanDerWaalsContact NH1-OE1 3.1Å; T353-E355 PolarHBondContact O-N 2.71Å; E355-I357 PolarHBondContact O-N 2.9Å; E355-S358 PolarHBondContact O-N 3.09Å; E355-L359 HydrophobicContact CG-CD1 4.15Å; E355-L359 WeakPolarHBondContact O-CG 3.4Å; E355-L359 PolarHBondContact O-N 2.92Å |
| 356 | N | 94.9 | Very high | 93.4 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63 | -41 | -178.3 | -68.7 | -13.8 | 0 | 0 | 0 | 112.2 | W352 T353 S358 L359 Y360 | W352-N356 HydrophobicContact CB-CB 4.05Å; W352-N356 HydrophobicContact CD2-CB 3.94Å; W352-N356 HydrophobicContact CE3-CB 3.98Å; W352-N356 HydrophobicContact CG-CB 3.99Å; T353-N356 PolarHBondContact O-N 3.03Å; T353-N356 VanDerWaalsContact O-N 3.16Å; T353-N356 PolarHBondContact OG1-N 3.3Å; N356-S358 VanDerWaalsContact C-N 3.33Å; N356-L359 PolarHBondContact O-N 3.27Å; N356-Y360 WeakPolarHBondContact O-CB 3.45Å; N356-Y360 PolarHBondContact O-N 3.29Å |
| 357 | I | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 177 | -64.2 | 170.2 | 0 | 0 | 0 | 110.4 | V39 T43 N342 L345 M346 W352 T353 E355 R361 | V39-I357 HydrophobicContact CG1-CB 4.05Å; V39-I357 HydrophobicContact CG1-CG2 3.9Å; V39-I357 HydrophobicContact CG2-CG2 3.97Å; T43-I357 HydrophobicContact CG2-CD1 4.41Å; N342-I357 WeakPolarHBondContact OD1-CG2 3.5Å; L345-I357 HydrophobicContact CB-CD1 4.38Å; L345-I357 HydrophobicContact CB-CG1 4.21Å; L345-I357 HydrophobicContact CD1-CG1 4.12Å; M346-I357 HydrophobicContact CG-CD1 3.57Å; M346-I357 HydrophobicContact SD-CD1 4.38Å; W352-I357 HydrophobicContact CB-CG1 4.02Å; W352-I357 HydrophobicContact CE3-CG1 4.08Å; T353-I357 WeakPolarHBondContact O-CG1 3.19Å; T353-I357 PolarHBondContact O-N 3.45Å; T353-I357 VanDerWaalsContact O-N 3.11Å; E355-I357 PolarHBondContact O-N 2.9Å; I357-R361 WeakPolarHBondContact O-CG 3.07Å; I357-R361 PolarHBondContact O-N 3.41Å |
| 358 | S | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.8 | -42.5 | 178.8 | -164.1 | 0 | 0 | 0 | 0 | 112.1 | S192 A196 A354 E355 N356 Y360 R361 G362 | S192-S358 WeakPolarHBondContact CB-O 3.46Å; S192-S358 PolarHBondContact O-OG 3.42Å; A196-S358 PolarHBondContact N-OG 3.36Å; A354-S358 WeakPolarHBondContact O-CB 3.5Å; A354-S358 PolarHBondContact O-N 3.17Å; E355-S358 PolarHBondContact O-N 3.09Å; N356-S358 VanDerWaalsContact C-N 3.33Å; S358-Y360 PolarHBondContact O-N 3.35Å; S358-R361 PolarHBondContact O-N 2.73Å; S358-G362 PolarHBondContact O-N 3.12Å; S358-G362 VanDerWaalsContact O-N 3.12Å |
| 359 | L | 96 | Very high | 93.6 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 173.9 | -76 | 174.2 | 0 | 0 | 0 | 111.4 | A196 E355 N356 R361 G362 A363 | A196-L359 HydrophobicContact CB-CB 4.44Å; A196-L359 HydrophobicContact CB-CD2 3.6Å; A196-L359 HydrophobicContact CB-CG 3.58Å; E355-L359 HydrophobicContact CG-CD1 4.15Å; E355-L359 WeakPolarHBondContact O-CG 3.4Å; E355-L359 PolarHBondContact O-N 2.92Å; N356-L359 PolarHBondContact O-N 3.27Å; L359-R361 PolarHBondContact O-N 3.43Å; L359-G362 PolarHBondContact O-N 2.98Å; L359-A363 PolarHBondContact O-N 3Å |
| 360 | Y | 95.7 | Very high | 93.7 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 8% | 0.078 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 176.6 | 165.5 | -97.1 | 0 | 0 | 0 | 111.8 | F341 L345 W352 N356 S358 G362 A363 A364 I414 Y415 T418 | F341-Y360 HydrophobicContact CD1-CE1 4.34Å; F341-Y360 AromaticContact CE1-CD1 3.73Å; F341-Y360 HydrophobicContact CE1-CD1 3.73Å; F341-Y360 AromaticContact CE1-CE1 3.15Å; F341-Y360 HydrophobicContact CE1-CE1 3.15Å; F341-Y360 AromaticContact CE1-CZ 3.91Å; F341-Y360 HydrophobicContact CZ-CD1 4.09Å; F341-Y360 AromaticContact CZ-CE1 3.31Å; F341-Y360 HydrophobicContact CZ-CE1 3.31Å; F341-Y360 AromaticContact CZ-CZ 3.55Å; F341-Y360 WeakPolarHBondContact CZ-OH 3.43Å; L345-Y360 HydrophobicContact CD1-CD1 4.46Å; W352-Y360 HydrophobicContact CH2-CD2 4.23Å; W352-Y360 HydrophobicContact CH2-CG 4.1Å; W352-Y360 VanDerWaalsContact CZ3-CB 3.42Å; W352-Y360 HydrophobicContact CZ3-CD1 4.34Å; W352-Y360 HydrophobicContact CZ3-CD2 4.36Å; W352-Y360 AromaticContact CZ3-CG 3.77Å; W352-Y360 HydrophobicContact CZ3-CG 3.77Å; N356-Y360 WeakPolarHBondContact O-CB 3.45Å; N356-Y360 PolarHBondContact O-N 3.29Å; S358-Y360 PolarHBondContact O-N 3.35Å; Y360-G362 VanDerWaalsContact C-N 3.25Å; Y360-G362 PolarHBondContact O-N 3.11Å; Y360-A363 PolarHBondContact O-N 3.43Å; Y360-A364 HydrophobicContact CD2-CB 4.46Å; Y360-A364 HydrophobicContact CE1-CB 4.04Å; Y360-A364 HydrophobicContact CE2-CB 3.98Å; Y360-A364 WeakPolarHBondContact O-CB 3.28Å; Y360-A364 PolarHBondContact O-N 3.39Å; Y360-I414 HydrophobicContact CD2-CG2 3.73Å; Y360-I414 HydrophobicContact CE1-CG2 4.36Å; Y360-I414 HydrophobicContact CE2-CG2 3.34Å; Y360-I414 HydrophobicContact CG-CG2 4.36Å; Y360-Y415 HydrophobicContact CD2-CD1 4.03Å; Y360-Y415 AromaticContact CD2-CE1 3.84Å; Y360-Y415 HydrophobicContact CD2-CE1 3.84Å; Y360-Y415 HydrophobicContact CD2-CE2 4.49Å; Y360-Y415 HydrophobicContact CD2-CG 4.45Å; Y360-T418 VanDerWaalsContact CE2-OG1 3.3Å; Y360-T418 WeakPolarHBondContact CE2-OG1 3.41Å; Y360-T418 PolarHBondContact OH-OG1 2.82Å |
| 361 | R | 93.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 36.4 Ų | 36.4 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -39.7 | 177.2 | -83 | -175 | 170.6 | -146.4 | -5.8 | 112.3 | A38 Q337 N342 I357 S358 L359 A365 | A38-R361 VanDerWaalsContact CB-NH1 3.31Å; Q337-R361 PolarHBondContact O-NH2 2.75Å; Q337-R361 VanDerWaalsContact O-NH2 3.13Å; N342-R361 PolarHBondContact ND2-NH2 3.39Å; N342-R361 VanDerWaalsContact ND2-NH2 3.2Å; I357-R361 WeakPolarHBondContact O-CG 3.07Å; I357-R361 PolarHBondContact O-N 3.41Å; S358-R361 PolarHBondContact O-N 2.73Å; L359-R361 PolarHBondContact O-N 3.43Å; R361-A365 VanDerWaalsContact O-CB 3.32Å; R361-A365 WeakPolarHBondContact O-CB 3.31Å; R361-A365 PolarHBondContact O-N 3.45Å |
| 362 | G | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -47.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S192 S358 L359 Y360 A365 F366 | S192-G362 VanDerWaalsContact CB-CA 3.48Å; S192-G362 VanDerWaalsContact CB-N 3.28Å; S358-G362 PolarHBondContact O-N 3.12Å; S358-G362 VanDerWaalsContact O-N 3.12Å; L359-G362 PolarHBondContact O-N 2.98Å; Y360-G362 VanDerWaalsContact C-N 3.25Å; Y360-G362 PolarHBondContact O-N 3.11Å; G362-A365 PolarHBondContact O-N 2.82Å; G362-F366 PolarHBondContact O-N 3.04Å; G362-F366 VanDerWaalsContact O-N 3.09Å |
| 363 | A | 95.7 | Very high | 93.1 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L359 Y360 F366 I367 Y415 | L359-A363 PolarHBondContact O-N 3Å; Y360-A363 PolarHBondContact O-N 3.43Å; A363-F366 WeakPolarHBondContact O-CB 3.33Å; A363-F366 PolarHBondContact O-N 2.85Å; A363-I367 WeakPolarHBondContact O-CB 3.39Å; A363-I367 WeakPolarHBondContact O-CG1 3.34Å; A363-I367 PolarHBondContact O-N 3.47Å; A363-Y415 HydrophobicContact CB-CD1 4.27Å; A363-Y415 HydrophobicContact CB-CE1 3.79Å |
| 364 | A | 94.1 | Very high | 93 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y360 F366 I367 N368 T418 | Y360-A364 HydrophobicContact CD2-CB 4.46Å; Y360-A364 HydrophobicContact CE1-CB 4.04Å; Y360-A364 HydrophobicContact CE2-CB 3.98Å; Y360-A364 WeakPolarHBondContact O-CB 3.28Å; Y360-A364 PolarHBondContact O-N 3.39Å; A364-F366 VanDerWaalsContact C-N 3.3Å; A364-F366 PolarHBondContact O-N 2.95Å; A364-I367 PolarHBondContact O-N 2.92Å; A364-N368 VanDerWaalsContact O-CB 3.23Å; A364-N368 WeakPolarHBondContact O-CB 3.38Å; A364-N368 PolarHBondContact O-N 3.2Å; A364-N368 PolarHBondContact O-ND2 3.24Å; A364-T418 HydrophobicContact CB-CG2 3.85Å |
| 365 | A | 92.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | A188 V189 R361 G362 T369 | A188-A365 HydrophobicContact CB-CB 4.24Å; V189-A365 HydrophobicContact CG2-CB 3.68Å; R361-A365 VanDerWaalsContact O-CB 3.32Å; R361-A365 WeakPolarHBondContact O-CB 3.31Å; R361-A365 PolarHBondContact O-N 3.45Å; G362-A365 PolarHBondContact O-N 2.82Å; A365-T369 WeakPolarHBondContact O-CB 3.37Å; A365-T369 PolarHBondContact O-N 3.3Å; A365-T369 PolarHBondContact O-OG1 2.93Å |
| 366 | F | 94.5 | Very high | 92.4 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.7 | -49.6 | 177 | 178.8 | -98.8 | 0 | 0 | 0 | 112.2 | V189 G362 A363 A364 N368 T369 A370 | V189-F366 HydrophobicContact CG1-CB 4.31Å; V189-F366 HydrophobicContact CG2-CB 3.93Å; G362-F366 PolarHBondContact O-N 3.04Å; G362-F366 VanDerWaalsContact O-N 3.09Å; A363-F366 WeakPolarHBondContact O-CB 3.33Å; A363-F366 PolarHBondContact O-N 2.85Å; A364-F366 VanDerWaalsContact C-N 3.3Å; A364-F366 PolarHBondContact O-N 2.95Å; F366-N368 VanDerWaalsContact C-N 3.33Å; F366-N368 PolarHBondContact O-N 2.82Å; F366-T369 PolarHBondContact O-N 3.24Å; F366-A370 VanDerWaalsContact O-CB 3.24Å; F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.12Å |
| 367 | I | 94.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 178.7 | -70.5 | 163.9 | 0 | 0 | 0 | 110.5 | A363 A364 G371 T418 C422 | A363-I367 WeakPolarHBondContact O-CB 3.39Å; A363-I367 WeakPolarHBondContact O-CG1 3.34Å; A363-I367 PolarHBondContact O-N 3.47Å; A364-I367 PolarHBondContact O-N 2.92Å; I367-G371 VanDerWaalsContact O-CA 3.31Å; I367-G371 WeakPolarHBondContact O-CA 3.5Å; I367-G371 PolarHBondContact O-N 3.43Å; I367-T418 HydrophobicContact CG2-CG2 4.23Å; I367-C422 HydrophobicContact CG2-CB 4.04Å |
| 368 | N | 92.6 | Very high | 91.9 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.5 | -44.5 | -179 | -73.6 | -21.6 | 0 | 0 | 0 | 112.1 | A364 F366 S372 T425 | A364-N368 VanDerWaalsContact O-CB 3.23Å; A364-N368 WeakPolarHBondContact O-CB 3.38Å; A364-N368 PolarHBondContact O-N 3.2Å; A364-N368 PolarHBondContact O-ND2 3.24Å; F366-N368 VanDerWaalsContact C-N 3.33Å; F366-N368 PolarHBondContact O-N 2.82Å; N368-S372 WeakPolarHBondContact O-CB 3.42Å; N368-S372 PolarHBondContact O-N 3.42Å; N368-S372 PolarHBondContact O-OG 2.63Å; N368-T425 HydrophobicContact CB-CG2 4Å |
| 369 | T | 89.8 | Confident | 91.6 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 37% | 0.368 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | S185 A365 F366 F373 | S185-T369 WeakPolarHBondContact CB-OG1 3.47Å; S185-T369 PolarHBondContact OG-OG1 3.13Å; A365-T369 WeakPolarHBondContact O-CB 3.37Å; A365-T369 PolarHBondContact O-N 3.3Å; A365-T369 PolarHBondContact O-OG1 2.93Å; F366-T369 PolarHBondContact O-N 3.24Å; T369-F373 PolarHBondContact O-N 3.47Å; T369-F373 VanDerWaalsContact O-N 3.16Å |
| 370 | A | 92 | Very high | 90.9 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F366 S372 F373 I374 | F366-A370 VanDerWaalsContact O-CB 3.24Å; F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.12Å; A370-S372 PolarHBondContact O-N 2.86Å; A370-F373 PolarHBondContact O-N 2.97Å; A370-I374 WeakPolarHBondContact O-CB 3.49Å; A370-I374 VanDerWaalsContact O-CG1 3.27Å; A370-I374 WeakPolarHBondContact O-CG1 3.49Å; A370-I374 PolarHBondContact O-N 3.42Å |
| 371 | G | 91.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I367 G375 | I367-G371 VanDerWaalsContact O-CA 3.31Å; I367-G371 WeakPolarHBondContact O-CA 3.5Å; I367-G371 PolarHBondContact O-N 3.43Å; G371-G375 WeakPolarHBondContact O-CA 3.46Å; G371-G375 PolarHBondContact O-N 2.77Å |
| 372 | S | 87 | Confident | 89.8 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 173.5 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | N368 A370 G375 V376 T425 | N368-S372 WeakPolarHBondContact O-CB 3.42Å; N368-S372 PolarHBondContact O-N 3.42Å; N368-S372 PolarHBondContact O-OG 2.63Å; A370-S372 PolarHBondContact O-N 2.86Å; S372-G375 PolarHBondContact O-N 2.97Å; S372-V376 WeakPolarHBondContact O-CG2 3.42Å; S372-V376 PolarHBondContact O-N 3.39Å; S372-T425 WeakPolarHBondContact OG-CB 3.49Å; S372-T425 PolarHBondContact OG-OG1 3.33Å |
| 373 | F | 86.3 | Confident | 89.4 | Confident | 139 Ų | 139 | 66.2 Ų | 66.2 | 61% | 0.61 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.7 | -48.9 | -177.2 | -171.1 | -100.6 | 0 | 0 | 0 | 110.9 | T369 A370 G375 V376 L377 | T369-F373 PolarHBondContact O-N 3.47Å; T369-F373 VanDerWaalsContact O-N 3.16Å; A370-F373 PolarHBondContact O-N 2.97Å; F373-G375 VanDerWaalsContact C-N 3.33Å; F373-G375 PolarHBondContact O-N 3.44Å; F373-V376 PolarHBondContact O-N 3.44Å; F373-L377 HydrophobicContact CD1-CD1 3.93Å; F373-L377 HydrophobicContact CE1-CD1 3.65Å; F373-L377 HydrophobicContact CZ-CD1 4.33Å; F373-L377 WeakPolarHBondContact O-CG 3.29Å; F373-L377 PolarHBondContact O-N 3.07Å |
| 374 | I | 90.7 | Very high | 88.9 | Confident | 92 Ų | 92 | 73.2 Ų | 73.2 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.6 | -64.8 | 167.2 | 0 | 0 | 0 | 110.4 | A370 V376 L377 I378 | A370-I374 WeakPolarHBondContact O-CB 3.49Å; A370-I374 VanDerWaalsContact O-CG1 3.27Å; A370-I374 WeakPolarHBondContact O-CG1 3.49Å; A370-I374 PolarHBondContact O-N 3.42Å; I374-V376 PolarHBondContact O-N 3.29Å; I374-L377 WeakPolarHBondContact O-CB 3.28Å; I374-L377 PolarHBondContact O-N 3.34Å; I374-I378 HydrophobicContact CG2-CD1 3.62Å; I374-I378 HydrophobicContact CG2-CG1 4.26Å; I374-I378 WeakPolarHBondContact O-CG1 3.24Å; I374-I378 PolarHBondContact O-N 3.43Å |
| 375 | G | 88.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G371 S372 F373 L377 I378 L379 | G371-G375 WeakPolarHBondContact O-CA 3.46Å; G371-G375 PolarHBondContact O-N 2.77Å; S372-G375 PolarHBondContact O-N 2.97Å; F373-G375 VanDerWaalsContact C-N 3.33Å; F373-G375 PolarHBondContact O-N 3.44Å; G375-L377 PolarHBondContact O-N 3.4Å; G375-I378 PolarHBondContact O-N 3.18Å; G375-L379 WeakPolarHBondContact O-CB 3.48Å; G375-L379 VanDerWaalsContact O-CG 3.27Å; G375-L379 WeakPolarHBondContact O-CG 3.37Å; G375-L379 PolarHBondContact O-N 3.23Å |
| 376 | V | 86.2 | Confident | 88 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 33% | 0.327 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | S372 F373 I374 I378 K380 L426 | S372-V376 WeakPolarHBondContact O-CG2 3.42Å; S372-V376 PolarHBondContact O-N 3.39Å; F373-V376 PolarHBondContact O-N 3.44Å; I374-V376 PolarHBondContact O-N 3.29Å; V376-I378 PolarHBondContact O-N 3.1Å; V376-K380 WeakPolarHBondContact O-CB 2.99Å; V376-K380 PolarHBondContact O-N 2.84Å; V376-L426 HydrophobicContact CG2-CD1 3.7Å; V376-L426 HydrophobicContact CG2-CD2 3.33Å; V376-L426 HydrophobicContact CG2-CG 4.15Å |
| 377 | L | 87.7 | Confident | 87.6 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -60.8 | -46.5 | 178 | -68.7 | 175.2 | 0 | 0 | 0 | 111.1 | F373 I374 G375 K381 | F373-L377 HydrophobicContact CD1-CD1 3.93Å; F373-L377 HydrophobicContact CE1-CD1 3.65Å; F373-L377 HydrophobicContact CZ-CD1 4.33Å; F373-L377 WeakPolarHBondContact O-CG 3.29Å; F373-L377 PolarHBondContact O-N 3.07Å; I374-L377 WeakPolarHBondContact O-CB 3.28Å; I374-L377 PolarHBondContact O-N 3.34Å; G375-L377 PolarHBondContact O-N 3.4Å; L377-K381 WeakPolarHBondContact O-CA 3.36Å; L377-K381 WeakPolarHBondContact O-CB 3.35Å; L377-K381 PolarHBondContact O-N 2.84Å |
| 378 | I | 90.7 | Very high | 87.5 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 40% | 0.4 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -66.9 | -56.7 | 179 | -66 | 172.6 | 0 | 0 | 0 | 110.3 | I374 G375 V376 K380 L382 F383 | I374-I378 HydrophobicContact CG2-CD1 3.62Å; I374-I378 HydrophobicContact CG2-CG1 4.26Å; I374-I378 WeakPolarHBondContact O-CG1 3.24Å; I374-I378 PolarHBondContact O-N 3.43Å; G375-I378 PolarHBondContact O-N 3.18Å; V376-I378 PolarHBondContact O-N 3.1Å; I378-K380 PolarHBondContact O-N 3.5Å; I378-L382 HydrophobicContact CG2-CD2 4.28Å; I378-L382 WeakPolarHBondContact O-CA 3.46Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 PolarHBondContact O-N 3.05Å; I378-F383 HydrophobicContact CG2-CD2 3.84Å; I378-F383 HydrophobicContact CG2-CE2 3.61Å; I378-F383 PolarHBondContact O-N 3.42Å; I378-F383 VanDerWaalsContact O-N 3.15Å |
| 379 | L | 88.5 | Confident | 87.5 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | I | π-helix | trans | -66.9 | -39.7 | -171.8 | -63.6 | 173.1 | 0 | 0 | 0 | 112.7 | G375 F383 K384 F385 L390 L423 | G375-L379 WeakPolarHBondContact O-CB 3.48Å; G375-L379 VanDerWaalsContact O-CG 3.27Å; G375-L379 WeakPolarHBondContact O-CG 3.37Å; G375-L379 PolarHBondContact O-N 3.23Å; L379-F383 HydrophobicContact CD2-CD2 4.4Å; L379-F383 CarbonylContact O-C 3.54Å; L379-K384 PolarHBondContact O-N 2.98Å; L379-K384 VanDerWaalsContact O-N 3.17Å; L379-F385 HydrophobicContact CB-CD2 4.41Å; L379-F385 HydrophobicContact CD2-CD2 3.98Å; L379-F385 HydrophobicContact CD2-CE2 3.93Å; L379-F385 PolarHBondContact O-N 3.44Å; L379-L390 HydrophobicContact CB-CD2 3.42Å; L379-L390 VanDerWaalsContact CB-CD2 3.42Å; L379-L390 HydrophobicContact CD1-CD2 3.75Å; L379-L390 HydrophobicContact CG-CD2 4.21Å; L379-L423 HydrophobicContact CD1-CD1 4.36Å |
| 380 | K | 82.5 | Confident | 87.6 | Confident | 115 Ų | 115 | 69.3 Ų | 69.3 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -87.5 | -40 | -176.7 | -160.3 | 170 | -174.7 | 166.1 | 0 | 112.8 | V376 I378 K384 | V376-K380 WeakPolarHBondContact O-CB 2.99Å; V376-K380 PolarHBondContact O-N 2.84Å; I378-K380 PolarHBondContact O-N 3.5Å; K380-K384 VanDerWaalsContact O-CA 3.31Å; K380-K384 WeakPolarHBondContact O-CA 3.4Å; K380-K384 PolarHBondContact O-N 3.42Å |
| 381 | K | 81.8 | Confident | 87.7 | Confident | 174 Ų | 174 | 67.8 Ų | 67.8 | 76% | 0.757 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -87.9 | -41.9 | -177.2 | -161.1 | 177.6 | 178.1 | 178.4 | 0 | 112.6 | L377 | L377-K381 WeakPolarHBondContact O-CA 3.36Å; L377-K381 WeakPolarHBondContact O-CB 3.35Å; L377-K381 PolarHBondContact O-N 2.84Å |
| 382 | L | 84.3 | Confident | 87.9 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | I | π-helix | trans | -80.6 | -53.3 | -179 | -160.6 | 82.1 | 0 | 0 | 0 | 111 | I378 | I378-L382 HydrophobicContact CG2-CD2 4.28Å; I378-L382 WeakPolarHBondContact O-CA 3.46Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 PolarHBondContact O-N 3.05Å |
| 383 | F | 85.8 | Confident | 88.2 | Confident | 118 Ų | 118 | 69.2 Ų | 69.2 | 52% | 0.518 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -94.8 | -7.7 | -173.5 | -65.8 | -73.8 | 0 | 0 | 0 | 114.7 | I378 L379 F385 | I378-F383 HydrophobicContact CG2-CD2 3.84Å; I378-F383 HydrophobicContact CG2-CE2 3.61Å; I378-F383 PolarHBondContact O-N 3.42Å; I378-F383 VanDerWaalsContact O-N 3.15Å; L379-F383 HydrophobicContact CD2-CD2 4.4Å; L379-F383 CarbonylContact O-C 3.54Å; F383-F385 HydrophobicContact CB-CD1 3.52Å; F383-F385 HydrophobicContact CB-CE1 3.51Å; F383-F385 HydrophobicContact CB-CG 4.27Å; F383-F385 HydrophobicContact CB-CZ 4.23Å; F383-F385 HydrophobicContact CG-CE1 4.22Å; F383-F385 WeakPolarHBondContact O-CD1 3.23Å; F383-F385 PolarHBondContact O-N 3.38Å |
| 384 | K | 86.1 | Confident | 88.6 | Confident | 177 Ų | 177 | 62.6 Ų | 62.6 | 77% | 0.77 | 30% | 0.301 | S | S | * | . | trans | 51.6 | 38.2 | -178.9 | -60.3 | -177.7 | 179.7 | 179.1 | 0 | 113.2 | L379 K380 | L379-K384 PolarHBondContact O-N 2.98Å; L379-K384 VanDerWaalsContact O-N 3.17Å; K380-K384 VanDerWaalsContact O-CA 3.31Å; K380-K384 WeakPolarHBondContact O-CA 3.4Å; K380-K384 PolarHBondContact O-N 3.42Å | ||
| 385 | F | 83 | Confident | 88.9 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | trans | -63.7 | 138.7 | 179 | -81.1 | 13.7 | 0 | 0 | 0 | 111.2 | L379 F383 A389 L390 T393 | L379-F385 HydrophobicContact CB-CD2 4.41Å; L379-F385 HydrophobicContact CD2-CD2 3.98Å; L379-F385 HydrophobicContact CD2-CE2 3.93Å; L379-F385 PolarHBondContact O-N 3.44Å; F383-F385 HydrophobicContact CB-CD1 3.52Å; F383-F385 HydrophobicContact CB-CE1 3.51Å; F383-F385 HydrophobicContact CB-CG 4.27Å; F383-F385 HydrophobicContact CB-CZ 4.23Å; F383-F385 HydrophobicContact CG-CE1 4.22Å; F383-F385 WeakPolarHBondContact O-CD1 3.23Å; F383-F385 PolarHBondContact O-N 3.38Å; F385-A389 HydrophobicContact CB-CB 4.16Å; F385-A389 HydrophobicContact CD2-CB 4.02Å; F385-A389 HydrophobicContact CG-CB 4.16Å; F385-L390 HydrophobicContact CB-CD2 4.05Å; F385-L390 HydrophobicContact CB-CG 4.21Å; F385-T393 HydrophobicContact CD2-CG2 4.32Å; F385-T393 HydrophobicContact CE2-CG2 3.98Å | ||
| 386 | R | 84.9 | Confident | 89.2 | Confident | 86 Ų | 86 | 63 Ų | 63 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | trans | -70.3 | 158.5 | 167.8 | -87.5 | 173.3 | 67.4 | -178.1 | 3.3 | 111 | T388 A389 L390 Q503 | R386-T388 PolarHBondContact O-N 3.49Å; R386-T388 VanDerWaalsContact O-N 3.12Å; R386-A389 WeakPolarHBondContact O-CB 3.41Å; R386-A389 PolarHBondContact O-N 3.21Å; R386-L390 PolarHBondContact O-N 3.33Å; R386-Q503 VanDerWaalsContact NH2-NE2 3.12Å; R386-Q503 PolarHBondContact NH2-O 3.01Å | ||
| 387 | D | 85.8 | Confident | 89.7 | Confident | 20 Ų | 20 | 60.9 Ų | 60.9 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.9 | -34.9 | 178.5 | -65.9 | -10.4 | 0 | 0 | 0 | 112.4 | L390 V391 T430 F434 Q437 | D387-L390 WeakPolarHBondContact O-CB 3.12Å; D387-L390 PolarHBondContact O-N 2.89Å; D387-V391 WeakPolarHBondContact O-CG2 3.4Å; D387-V391 PolarHBondContact O-N 3.22Å; D387-T430 HydrophobicContact CB-CG2 4.05Å; D387-T430 VanDerWaalsContact O-CG2 3.24Å; D387-T430 WeakPolarHBondContact O-CG2 3.4Å; D387-F434 HydrophobicContact CB-CB 4.33Å; D387-Q437 PolarHBondContact OD2-NE2 3.15Å |
| 388 | T | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 177 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | R386 L392 F434 F496 V499 H500 | R386-T388 PolarHBondContact O-N 3.49Å; R386-T388 VanDerWaalsContact O-N 3.12Å; T388-L392 PolarHBondContact O-N 3.2Å; T388-F434 HydrophobicContact CG2-CD2 3.69Å; T388-F434 HydrophobicContact CG2-CE2 3.39Å; T388-F434 HydrophobicContact CG2-CG 4.46Å; T388-F434 HydrophobicContact CG2-CZ 3.95Å; T388-F496 HydrophobicContact CG2-CE1 3.74Å; T388-F496 HydrophobicContact CG2-CZ 4.15Å; T388-V499 HydrophobicContact CG2-CG1 4.36Å; T388-H500 PolarHBondContact OG1-ND1 2.86Å |
| 389 | A | 92.6 | Very high | 90.3 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F385 R386 V391 L392 T393 | F385-A389 HydrophobicContact CB-CB 4.16Å; F385-A389 HydrophobicContact CD2-CB 4.02Å; F385-A389 HydrophobicContact CG-CB 4.16Å; R386-A389 WeakPolarHBondContact O-CB 3.41Å; R386-A389 PolarHBondContact O-N 3.21Å; A389-V391 PolarHBondContact O-N 3.42Å; A389-L392 PolarHBondContact O-N 3.29Å; A389-T393 WeakPolarHBondContact O-CG2 3.43Å; A389-T393 PolarHBondContact O-N 2.9Å; A389-T393 PolarHBondContact O-OG1 3.14Å |
| 390 | L | 92.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.3 | -69.2 | 177.2 | 0 | 0 | 0 | 111.5 | L379 F385 R386 D387 L392 T393 A394 T430 | L379-L390 HydrophobicContact CB-CD2 3.42Å; L379-L390 VanDerWaalsContact CB-CD2 3.42Å; L379-L390 HydrophobicContact CD1-CD2 3.75Å; L379-L390 HydrophobicContact CG-CD2 4.21Å; F385-L390 HydrophobicContact CB-CD2 4.05Å; F385-L390 HydrophobicContact CB-CG 4.21Å; R386-L390 PolarHBondContact O-N 3.33Å; D387-L390 WeakPolarHBondContact O-CB 3.12Å; D387-L390 PolarHBondContact O-N 2.89Å; L390-L392 PolarHBondContact O-N 2.97Å; L390-T393 WeakPolarHBondContact CA-OG1 3.26Å; L390-T393 PolarHBondContact O-N 2.97Å; L390-T393 PolarHBondContact O-OG1 2.62Å; L390-A394 WeakPolarHBondContact O-CB 3.36Å; L390-A394 PolarHBondContact O-N 2.95Å; L390-T430 HydrophobicContact CB-CG2 3.63Å; L390-T430 HydrophobicContact CD1-CG2 4.32Å |
| 391 | V | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | D387 A389 T393 A394 L395 L427 T430 M431 F496 | D387-V391 WeakPolarHBondContact O-CG2 3.4Å; D387-V391 PolarHBondContact O-N 3.22Å; A389-V391 PolarHBondContact O-N 3.42Å; V391-T393 PolarHBondContact O-N 3.07Å; V391-A394 PolarHBondContact O-N 3.06Å; V391-L395 HydrophobicContact CG1-CD1 3.88Å; V391-L395 HydrophobicContact CG1-CG 4.45Å; V391-L395 WeakPolarHBondContact O-CG 3.49Å; V391-L395 PolarHBondContact O-N 3.42Å; V391-L427 HydrophobicContact CB-CD1 4.34Å; V391-L427 HydrophobicContact CG1-CD1 3.61Å; V391-T430 HydrophobicContact CG2-CG2 3.57Å; V391-M431 HydrophobicContact CG1-CG 4.17Å; V391-M431 HydrophobicContact CG2-CG 3.76Å; V391-F496 HydrophobicContact CB-CD1 3.81Å; V391-F496 HydrophobicContact CB-CE1 3.44Å; V391-F496 VanDerWaalsContact CB-CE1 3.44Å; V391-F496 HydrophobicContact CB-CE2 4.28Å; V391-F496 HydrophobicContact CB-CG 4.38Å; V391-F496 HydrophobicContact CB-CZ 3.69Å; V391-F496 HydrophobicContact CG1-CB 4.42Å; V391-F496 HydrophobicContact CG1-CD1 3.44Å; V391-F496 VanDerWaalsContact CG1-CD1 3.44Å; V391-F496 HydrophobicContact CG1-CD2 3.61Å; V391-F496 HydrophobicContact CG1-CE1 3.47Å; V391-F496 VanDerWaalsContact CG1-CE1 3.47Å; V391-F496 HydrophobicContact CG1-CE2 3.63Å; V391-F496 HydrophobicContact CG1-CG 3.52Å; V391-F496 HydrophobicContact CG1-CZ 3.55Å; V391-F496 HydrophobicContact CG2-CE1 3.98Å; V391-F496 HydrophobicContact CG2-CE2 4.36Å; V391-F496 HydrophobicContact CG2-CZ 3.74Å |
| 392 | L | 95.1 | Very high | 92 | Very high | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 177.4 | -77 | 169.9 | 0 | 0 | 0 | 112.4 | T388 A389 L390 A394 L395 I396 F496 A497 H500 | T388-L392 PolarHBondContact O-N 3.2Å; A389-L392 PolarHBondContact O-N 3.29Å; L390-L392 PolarHBondContact O-N 2.97Å; L392-A394 VanDerWaalsContact C-N 3.32Å; L392-A394 PolarHBondContact O-N 3.22Å; L392-L395 PolarHBondContact O-N 3.35Å; L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 2.96Å; L392-F496 HydrophobicContact CD2-CB 4.17Å; L392-F496 HydrophobicContact CD2-CD1 4.49Å; L392-F496 HydrophobicContact CG-CD1 4.19Å; L392-A497 HydrophobicContact CD2-CB 4.07Å; L392-H500 HydrophobicContact CD1-CB 3.7Å |
| 393 | T | 93.8 | Very high | 92.6 | Very high | 34 Ų | 34 | 39 Ų | 39 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | F385 A389 L390 V391 I396 S397 | F385-T393 HydrophobicContact CD2-CG2 4.32Å; F385-T393 HydrophobicContact CE2-CG2 3.98Å; A389-T393 WeakPolarHBondContact O-CG2 3.43Å; A389-T393 PolarHBondContact O-N 2.9Å; A389-T393 PolarHBondContact O-OG1 3.14Å; L390-T393 WeakPolarHBondContact CA-OG1 3.26Å; L390-T393 PolarHBondContact O-N 2.97Å; L390-T393 PolarHBondContact O-OG1 2.62Å; V391-T393 PolarHBondContact O-N 3.07Å; T393-I396 PolarHBondContact O-N 3.01Å; T393-S397 WeakPolarHBondContact O-CB 3.4Å; T393-S397 PolarHBondContact O-N 3.21Å |
| 394 | A | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L390 V391 L392 S397 S398 L423 L426 L427 | L390-A394 WeakPolarHBondContact O-CB 3.36Å; L390-A394 PolarHBondContact O-N 2.95Å; V391-A394 PolarHBondContact O-N 3.06Å; L392-A394 VanDerWaalsContact C-N 3.32Å; L392-A394 PolarHBondContact O-N 3.22Å; A394-S397 PolarHBondContact O-N 2.95Å; A394-S398 WeakPolarHBondContact O-CB 3.31Å; A394-S398 PolarHBondContact O-N 3.01Å; A394-L423 WeakPolarHBondContact CB-O 3.24Å; A394-L426 HydrophobicContact CB-CB 4.46Å; A394-L427 HydrophobicContact CB-CB 3.92Å; A394-L427 HydrophobicContact CB-CD1 4.24Å |
| 395 | L | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.5 | -75.3 | 166.6 | 0 | 0 | 0 | 112 | V325 V391 L392 S398 I399 L427 F496 | V325-L395 HydrophobicContact CG1-CD1 4.23Å; V325-L395 HydrophobicContact CG1-CD2 4.21Å; V391-L395 HydrophobicContact CG1-CD1 3.88Å; V391-L395 HydrophobicContact CG1-CG 4.45Å; V391-L395 WeakPolarHBondContact O-CG 3.49Å; V391-L395 PolarHBondContact O-N 3.42Å; L392-L395 PolarHBondContact O-N 3.35Å; L395-S398 WeakPolarHBondContact O-CB 3.38Å; L395-S398 PolarHBondContact O-N 3.45Å; L395-I399 VanDerWaalsContact O-CG1 3.3Å; L395-I399 WeakPolarHBondContact O-CG1 3.43Å; L395-I399 PolarHBondContact O-N 3.38Å; L395-L427 HydrophobicContact CD1-CD1 4.47Å; L395-L427 HydrophobicContact CD2-CD1 4.15Å; L395-L427 HydrophobicContact CD2-CD2 3.55Å; L395-L427 HydrophobicContact CG-CD1 3.86Å; L395-L427 HydrophobicContact CG-CD2 4.08Å; L395-F496 HydrophobicContact CD1-CB 4.03Å; L395-F496 HydrophobicContact CD1-CG 4.5Å |
| 396 | I | 95.4 | Very high | 94.1 | Very high | 105 Ų | 105 | 26.6 Ų | 26.6 | 54% | 0.538 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 177 | -66.7 | 165 | 0 | 0 | 0 | 110.8 | L392 T393 S398 I399 A400 | L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 2.96Å; T393-I396 PolarHBondContact O-N 3.01Å; I396-S398 VanDerWaalsContact C-N 3.3Å; I396-S398 PolarHBondContact O-N 3.44Å; I396-I399 PolarHBondContact O-N 3.37Å; I396-A400 PolarHBondContact O-N 3.36Å |
| 397 | S | 95.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -40 | 175 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | T393 A394 A400 D401 C420 G421 L423 | T393-S397 WeakPolarHBondContact O-CB 3.4Å; T393-S397 PolarHBondContact O-N 3.21Å; A394-S397 PolarHBondContact O-N 2.95Å; S397-A400 PolarHBondContact O-N 3.19Å; S397-D401 PolarHBondContact O-N 3.02Å; S397-C420 PolarHBondContact OG-O 3.33Å; S397-G421 VanDerWaalsContact OG-CA 3.25Å; S397-G421 WeakPolarHBondContact OG-CA 3.48Å; S397-G421 PolarHBondContact OG-O 3.48Å; S397-L423 PolarHBondContact OG-N 2.79Å |
| 398 | S | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 174 | -171 | 0 | 0 | 0 | 0 | 112.4 | A394 L395 I396 A400 D401 R402 | A394-S398 WeakPolarHBondContact O-CB 3.31Å; A394-S398 PolarHBondContact O-N 3.01Å; L395-S398 WeakPolarHBondContact O-CB 3.38Å; L395-S398 PolarHBondContact O-N 3.45Å; I396-S398 VanDerWaalsContact C-N 3.3Å; I396-S398 PolarHBondContact O-N 3.44Å; S398-A400 VanDerWaalsContact C-N 3.34Å; S398-A400 PolarHBondContact O-N 3.16Å; S398-D401 PolarHBondContact O-N 3.24Å; S398-R402 WeakPolarHBondContact O-CG 3.29Å; S398-R402 PolarHBondContact O-N 3.11Å; S398-R402 VanDerWaalsContact O-N 3.12Å |
| 399 | I | 97 | Very high | 95.2 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 175.9 | -66.9 | 161.1 | 0 | 0 | 0 | 110.5 | L395 I396 R402 I403 A486 F490 | L395-I399 VanDerWaalsContact O-CG1 3.3Å; L395-I399 WeakPolarHBondContact O-CG1 3.43Å; L395-I399 PolarHBondContact O-N 3.38Å; I396-I399 PolarHBondContact O-N 3.37Å; I399-R402 PolarHBondContact O-N 2.85Å; I399-I403 HydrophobicContact CG2-CD1 3.65Å; I399-I403 HydrophobicContact CG2-CG1 4.36Å; I399-I403 VanDerWaalsContact O-CG1 3.31Å; I399-I403 WeakPolarHBondContact O-CG1 3.43Å; I399-I403 PolarHBondContact O-N 2.74Å; I399-A486 HydrophobicContact CG2-CB 4.4Å; I399-F490 HydrophobicContact CD1-CB 4.02Å; I399-F490 HydrophobicContact CD1-CD2 4.26Å |
| 400 | A | 96.4 | Very high | 95.3 | Very high | 29 Ų | 29 | 35 Ų | 35 | 24% | 0.24 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | I396 S397 S398 R402 I403 F404 | I396-A400 PolarHBondContact O-N 3.36Å; S397-A400 PolarHBondContact O-N 3.19Å; S398-A400 VanDerWaalsContact C-N 3.34Å; S398-A400 PolarHBondContact O-N 3.16Å; A400-R402 VanDerWaalsContact C-N 3.29Å; A400-R402 PolarHBondContact O-N 3.48Å; A400-I403 PolarHBondContact O-N 2.79Å; A400-F404 WeakPolarHBondContact O-CB 3.47Å; A400-F404 VanDerWaalsContact O-CD2 3.25Å; A400-F404 WeakPolarHBondContact O-CD2 3.5Å; A400-F404 PolarHBondContact O-N 3.19Å |
| 401 | D | 95.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.5 | -48.3 | 174.7 | 174.3 | 54.2 | 0 | 0 | 0 | 112.1 | S397 S398 T405 | S397-D401 PolarHBondContact O-N 3.02Å; S398-D401 PolarHBondContact O-N 3.24Å; D401-T405 VanDerWaalsContact O-CB 3.25Å; D401-T405 WeakPolarHBondContact O-CB 3.31Å; D401-T405 PolarHBondContact O-N 3.04Å; D401-T405 PolarHBondContact O-OG1 3.31Å |
| 402 | R | 95.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.2 | -42.5 | -176.5 | -61.8 | -70.3 | 153.3 | 115.4 | 6.7 | 111.8 | V332 D333 S398 I399 A400 T405 G406 F482 A486 | V332-R402 VanDerWaalsContact CG1-NH1 3.27Å; V332-R402 PolarHBondContact O-NH1 3.21Å; V332-R402 VanDerWaalsContact O-NH1 3.11Å; D333-R402 IonicContact OD1-CZ 2.84Å; D333-R402 IonicContact OD1-NH2 3.89Å; D333-R402 PolarHBondContact OD1-NH2 2.69Å; S398-R402 WeakPolarHBondContact O-CG 3.29Å; S398-R402 PolarHBondContact O-N 3.11Å; S398-R402 VanDerWaalsContact O-N 3.12Å; I399-R402 PolarHBondContact O-N 2.85Å; A400-R402 VanDerWaalsContact C-N 3.29Å; A400-R402 PolarHBondContact O-N 3.48Å; R402-T405 PolarHBondContact O-N 2.99Å; R402-G406 PolarHBondContact O-N 2.72Å; R402-F482 VanDerWaalsContact O-CB 3.31Å; R402-F482 WeakPolarHBondContact O-CB 3.3Å; R402-A486 HydrophobicContact CB-CB 3.98Å |
| 403 | I | 96.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 32% | 0.323 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.3 | -47.7 | 176.8 | -69.3 | 172.5 | 0 | 0 | 0 | 110.6 | I399 A400 T405 G406 L407 F483 A486 | I399-I403 HydrophobicContact CG2-CD1 3.65Å; I399-I403 HydrophobicContact CG2-CG1 4.36Å; I399-I403 VanDerWaalsContact O-CG1 3.31Å; I399-I403 WeakPolarHBondContact O-CG1 3.43Å; I399-I403 PolarHBondContact O-N 2.74Å; A400-I403 PolarHBondContact O-N 2.79Å; I403-T405 PolarHBondContact O-N 3.49Å; I403-G406 PolarHBondContact O-N 3.11Å; I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 WeakPolarHBondContact O-CG 3.22Å; I403-L407 PolarHBondContact O-N 3.4Å; I403-L407 VanDerWaalsContact O-N 3.07Å; I403-F483 HydrophobicContact CG1-CD1 4.49Å; I403-F483 HydrophobicContact CG2-CE1 4.31Å; I403-A486 HydrophobicContact CG1-CB 3.92Å |
| 404 | F | 96.1 | Very high | 95.5 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 46% | 0.461 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.9 | -40.4 | -179.6 | -85.6 | -118.3 | 0 | 0 | 0 | 111.8 | A400 L407 S408 A417 | A400-F404 WeakPolarHBondContact O-CB 3.47Å; A400-F404 VanDerWaalsContact O-CD2 3.25Å; A400-F404 WeakPolarHBondContact O-CD2 3.5Å; A400-F404 PolarHBondContact O-N 3.19Å; F404-L407 PolarHBondContact O-N 3.35Å; F404-S408 PolarHBondContact O-N 2.95Å; F404-A417 HydrophobicContact CB-CB 3.59Å |
| 405 | T | 95.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | F341 F344 D401 R402 I403 L407 S408 I414 A417 F482 | F341-T405 HydrophobicContact CD2-CG2 4.03Å; F341-T405 HydrophobicContact CE2-CG2 3.7Å; F344-T405 HydrophobicContact CE1-CG2 4.43Å; D401-T405 VanDerWaalsContact O-CB 3.25Å; D401-T405 WeakPolarHBondContact O-CB 3.31Å; D401-T405 PolarHBondContact O-N 3.04Å; D401-T405 PolarHBondContact O-OG1 3.31Å; R402-T405 PolarHBondContact O-N 2.99Å; I403-T405 PolarHBondContact O-N 3.49Å; T405-L407 VanDerWaalsContact C-N 3.25Å; T405-L407 PolarHBondContact O-N 3.15Å; T405-S408 VanDerWaalsContact O-CB 3.31Å; T405-S408 WeakPolarHBondContact O-CB 3.48Å; T405-S408 PolarHBondContact O-N 3.39Å; T405-S408 VanDerWaalsContact O-N 3.08Å; T405-S408 PolarHBondContact O-OG 2.93Å; T405-I414 HydrophobicContact CG2-CD1 4.19Å; T405-A417 WeakPolarHBondContact OG1-CB 3.48Å; T405-F482 HydrophobicContact CG2-CD1 3.7Å; T405-F482 HydrophobicContact CG2-CD2 4.23Å; T405-F482 HydrophobicContact CG2-CE1 3.52Å; T405-F482 HydrophobicContact CG2-CE2 4.07Å; T405-F482 HydrophobicContact CG2-CG 4.07Å; T405-F482 HydrophobicContact CG2-CZ 3.71Å |
| 406 | G | 94.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R402 I403 S408 Y477 | R402-G406 PolarHBondContact O-N 2.72Å; I403-G406 PolarHBondContact O-N 3.11Å; G406-S408 VanDerWaalsContact C-N 3.33Å; G406-Y477 PolarHBondContact O-OH 3.31Å |
| 407 | L | 95.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.4 | 178.4 | -69.2 | 170.9 | 0 | 0 | 0 | 114.3 | I403 F404 T405 T409 M413 F483 | I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 WeakPolarHBondContact O-CG 3.22Å; I403-L407 PolarHBondContact O-N 3.4Å; I403-L407 VanDerWaalsContact O-N 3.07Å; F404-L407 PolarHBondContact O-N 3.35Å; T405-L407 VanDerWaalsContact C-N 3.25Å; T405-L407 PolarHBondContact O-N 3.15Å; L407-T409 PolarHBondContact O-N 3.43Å; L407-M413 WeakPolarHBondContact O-CE 3.36Å; L407-F483 HydrophobicContact CD2-CE1 4.41Å; L407-F483 HydrophobicContact CD2-CZ 3.69Å; L407-F483 HydrophobicContact CG-CE1 4.06Å; L407-F483 HydrophobicContact CG-CZ 3.77Å |
| 408 | S | 95.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | trans | -71.3 | 127.8 | -170.8 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | F344 F404 T405 G406 I414 | F344-S408 VanDerWaalsContact CE1-OG 3.29Å; F344-S408 WeakPolarHBondContact CE1-OG 3.38Å; F344-S408 WeakPolarHBondContact CZ-OG 3.26Å; F404-S408 PolarHBondContact O-N 2.95Å; T405-S408 VanDerWaalsContact O-CB 3.31Å; T405-S408 WeakPolarHBondContact O-CB 3.48Å; T405-S408 PolarHBondContact O-N 3.39Å; T405-S408 VanDerWaalsContact O-N 3.08Å; T405-S408 PolarHBondContact O-OG 2.93Å; G406-S408 VanDerWaalsContact C-N 3.33Å; S408-I414 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 409 | T | 93.2 | Very high | 95.4 | Very high | 77 Ų | 77 | 45.2 Ų | 45.2 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | trans | -119.1 | -17.1 | 173.5 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | P349 L407 M413 | P349-T409 HydrophobicContact CG-CG2 4.38Å; P349-T409 WeakPolarHBondContact CG-O 3.37Å; L407-T409 PolarHBondContact O-N 3.43Å; T409-M413 PolarHBondContact N-SD 3.37Å; T409-M413 VanDerWaalsContact N-SD 3.38Å | ||
| 410 | K | 94.8 | Very high | 95.1 | Very high | 129 Ų | 129 | 47.3 Ų | 47.3 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -123.3 | 148.8 | 179.9 | -62.9 | -179 | -180 | -179 | 0 | 110.4 | W412 M413 | K410-W412 VanDerWaalsContact C-N 3.33Å; K410-W412 PolarHBondContact O-N 2.97Å; K410-M413 HydrophobicContact CB-CG 4.22Å; K410-M413 HydrophobicContact CB-SD 4.13Å; K410-M413 VanDerWaalsContact O-CB 3.3Å; K410-M413 WeakPolarHBondContact O-CB 3.31Å; K410-M413 PolarHBondContact O-N 2.73Å |
| 411 | G | 93.7 | Very high | 95 | Very high | 22 Ų | 22 | 46 Ų | 46 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -38.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | M413 I414 Y415 | G411-M413 PolarHBondContact O-N 3.26Å; G411-I414 WeakPolarHBondContact O-CB 3.21Å; G411-I414 PolarHBondContact O-N 2.79Å; G411-Y415 WeakPolarHBondContact O-CD2 3.12Å |
| 412 | W | 94 | Very high | 94.9 | Very high | 169 Ų | 169 | 46.1 Ų | 46.1 | 64% | 0.64 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.5 | -27.7 | 178.5 | 70.8 | -97.1 | 0 | 0 | 0 | 113.2 | K410 I414 Y415 A416 | K410-W412 VanDerWaalsContact C-N 3.33Å; K410-W412 PolarHBondContact O-N 2.97Å; W412-I414 PolarHBondContact O-N 2.73Å; W412-Y415 PolarHBondContact O-N 3.1Å; W412-A416 HydrophobicContact CE3-CB 4.25Å; W412-A416 HydrophobicContact CZ3-CB 4.26Å; W412-A416 PolarHBondContact O-N 3.09Å |
| 413 | M | 96.4 | Very high | 94.8 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -33.2 | 179.7 | -60.8 | 174.2 | 73.3 | 0 | 0 | 111.1 | L407 T409 K410 G411 A416 A417 | L407-M413 WeakPolarHBondContact O-CE 3.36Å; T409-M413 PolarHBondContact N-SD 3.37Å; T409-M413 VanDerWaalsContact N-SD 3.38Å; K410-M413 HydrophobicContact CB-CG 4.22Å; K410-M413 HydrophobicContact CB-SD 4.13Å; K410-M413 VanDerWaalsContact O-CB 3.3Å; K410-M413 WeakPolarHBondContact O-CB 3.31Å; K410-M413 PolarHBondContact O-N 2.73Å; G411-M413 PolarHBondContact O-N 3.26Å; M413-A416 PolarHBondContact O-N 3.24Å; M413-A417 WeakPolarHBondContact O-CB 3.47Å; M413-A417 PolarHBondContact O-N 3.46Å |
| 414 | I | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 176 | -61.7 | -66.6 | 0 | 0 | 0 | 110.5 | F341 F344 L345 L350 W352 Y360 T405 S408 G411 W412 A416 A417 T418 | F341-I414 HydrophobicContact CE2-CD1 4.46Å; F341-I414 HydrophobicContact CE2-CG2 4.43Å; F341-I414 HydrophobicContact CZ-CG2 3.82Å; F344-I414 HydrophobicContact CE1-CD1 4.15Å; L345-I414 HydrophobicContact CD2-CD1 3.73Å; L345-I414 HydrophobicContact CD2-CG1 3.8Å; L345-I414 HydrophobicContact CD2-CG2 4.29Å; L350-I414 HydrophobicContact CD1-CD1 4.27Å; L350-I414 HydrophobicContact CD1-CG1 4.28Å; W352-I414 HydrophobicContact CH2-CB 4.07Å; W352-I414 HydrophobicContact CH2-CG1 4.36Å; W352-I414 HydrophobicContact CH2-CG2 3.92Å; W352-I414 HydrophobicContact CZ2-CB 4.33Å; W352-I414 HydrophobicContact CZ2-CG1 4.31Å; Y360-I414 HydrophobicContact CD2-CG2 3.73Å; Y360-I414 HydrophobicContact CE1-CG2 4.36Å; Y360-I414 HydrophobicContact CE2-CG2 3.34Å; Y360-I414 HydrophobicContact CG-CG2 4.36Å; T405-I414 HydrophobicContact CG2-CD1 4.19Å; S408-I414 WeakPolarHBondContact OG-CD1 3.42Å; G411-I414 WeakPolarHBondContact O-CB 3.21Å; G411-I414 PolarHBondContact O-N 2.79Å; W412-I414 PolarHBondContact O-N 2.73Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.4Å; I414-A417 WeakPolarHBondContact O-CB 3.36Å; I414-A417 PolarHBondContact O-N 3.24Å; I414-T418 PolarHBondContact O-N 2.8Å; I414-T418 VanDerWaalsContact O-N 3.14Å; I414-T418 PolarHBondContact O-OG1 3.37Å |
| 415 | Y | 95.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 43 Ų | 43 | 30% | 0.302 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -38.1 | 176.4 | -67.2 | -88.8 | 0 | 0 | 0 | 112.3 | W352 Y360 A363 G411 W412 S419 | W352-Y415 AromaticContact CH2-CE2 3.82Å; W352-Y415 HydrophobicContact CH2-CE2 3.82Å; W352-Y415 HydrophobicContact CZ2-CE2 4.14Å; Y360-Y415 HydrophobicContact CD2-CD1 4.03Å; Y360-Y415 AromaticContact CD2-CE1 3.84Å; Y360-Y415 HydrophobicContact CD2-CE1 3.84Å; Y360-Y415 HydrophobicContact CD2-CE2 4.49Å; Y360-Y415 HydrophobicContact CD2-CG 4.45Å; A363-Y415 HydrophobicContact CB-CD1 4.27Å; A363-Y415 HydrophobicContact CB-CE1 3.79Å; G411-Y415 WeakPolarHBondContact O-CD2 3.12Å; W412-Y415 PolarHBondContact O-N 3.1Å; Y415-S419 WeakPolarHBondContact O-CB 3.22Å; Y415-S419 PolarHBondContact O-N 3Å; Y415-S419 PolarHBondContact O-OG 3.45Å |
| 416 | A | 95.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 26% | 0.256 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W412 M413 I414 T418 S419 C420 | W412-A416 HydrophobicContact CE3-CB 4.25Å; W412-A416 HydrophobicContact CZ3-CB 4.26Å; W412-A416 PolarHBondContact O-N 3.09Å; M413-A416 PolarHBondContact O-N 3.24Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.4Å; A416-T418 PolarHBondContact O-N 3.49Å; A416-S419 WeakPolarHBondContact O-CB 3.19Å; A416-S419 PolarHBondContact O-N 3.3Å; A416-C420 PolarHBondContact O-N 3.1Å; A416-C420 PolarHBondContact O-SG 2.88Å; A416-C420 VanDerWaalsContact O-SG 3.42Å |
| 417 | A | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -51 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F404 T405 M413 I414 S419 C420 G421 | F404-A417 HydrophobicContact CB-CB 3.59Å; T405-A417 WeakPolarHBondContact OG1-CB 3.48Å; M413-A417 WeakPolarHBondContact O-CB 3.47Å; M413-A417 PolarHBondContact O-N 3.46Å; I414-A417 WeakPolarHBondContact O-CB 3.36Å; I414-A417 PolarHBondContact O-N 3.24Å; A417-S419 VanDerWaalsContact C-N 3.28Å; A417-S419 PolarHBondContact O-N 3.3Å; A417-C420 PolarHBondContact O-N 3.27Å; A417-G421 PolarHBondContact O-N 2.97Å |
| 418 | T | 94.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 177.4 | -42.5 | 0 | 0 | 0 | 0 | 112.4 | Y360 A364 I367 I414 A416 G421 C422 | Y360-T418 VanDerWaalsContact CE2-OG1 3.3Å; Y360-T418 WeakPolarHBondContact CE2-OG1 3.41Å; Y360-T418 PolarHBondContact OH-OG1 2.82Å; A364-T418 HydrophobicContact CB-CG2 3.85Å; I367-T418 HydrophobicContact CG2-CG2 4.23Å; I414-T418 PolarHBondContact O-N 2.8Å; I414-T418 VanDerWaalsContact O-N 3.14Å; I414-T418 PolarHBondContact O-OG1 3.37Å; A416-T418 PolarHBondContact O-N 3.49Å; T418-G421 CarbonylContact O-C 3.51Å; T418-G421 WeakPolarHBondContact O-CA 3.34Å; T418-G421 PolarHBondContact O-N 3.24Å; T418-G421 VanDerWaalsContact O-N 3.13Å; T418-C422 PolarHBondContact O-N 3.22Å |
| 419 | S | 93.6 | Very high | 93.2 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | Y415 A416 A417 G421 C422 | Y415-S419 WeakPolarHBondContact O-CB 3.22Å; Y415-S419 PolarHBondContact O-N 3Å; Y415-S419 PolarHBondContact O-OG 3.45Å; A416-S419 WeakPolarHBondContact O-CB 3.19Å; A416-S419 PolarHBondContact O-N 3.3Å; A417-S419 VanDerWaalsContact C-N 3.28Å; A417-S419 PolarHBondContact O-N 3.3Å; S419-G421 VanDerWaalsContact C-N 3.26Å; S419-G421 PolarHBondContact O-N 3.25Å; S419-C422 PolarHBondContact O-SG 2.82Å |
| 420 | C | 92.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 46% | 0.459 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -29.2 | 171.9 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | S397 A416 A417 | S397-C420 PolarHBondContact OG-O 3.33Å; A416-C420 PolarHBondContact O-N 3.1Å; A416-C420 PolarHBondContact O-SG 2.88Å; A416-C420 VanDerWaalsContact O-SG 3.42Å; A417-C420 PolarHBondContact O-N 3.27Å |
| 421 | G | 93.4 | Very high | 93 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -5.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | S397 A417 T418 S419 L423 S424 | S397-G421 VanDerWaalsContact OG-CA 3.25Å; S397-G421 WeakPolarHBondContact OG-CA 3.48Å; S397-G421 PolarHBondContact OG-O 3.48Å; A417-G421 PolarHBondContact O-N 2.97Å; T418-G421 CarbonylContact O-C 3.51Å; T418-G421 WeakPolarHBondContact O-CA 3.34Å; T418-G421 PolarHBondContact O-N 3.24Å; T418-G421 VanDerWaalsContact O-N 3.13Å; S419-G421 VanDerWaalsContact C-N 3.26Å; S419-G421 PolarHBondContact O-N 3.25Å; G421-L423 PolarHBondContact O-N 3.39Å; G421-S424 WeakPolarHBondContact O-CB 3.41Å; G421-S424 PolarHBondContact O-N 3.42Å; G421-S424 PolarHBondContact O-OG 3.09Å |
| 422 | C | 93.5 | Very high | 92.7 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.3 | -165.5 | 67.5 | 0 | 0 | 0 | 0 | 114.8 | I367 T418 S419 T425 | I367-C422 HydrophobicContact CG2-CB 4.04Å; T418-C422 PolarHBondContact O-N 3.22Å; S419-C422 PolarHBondContact O-SG 2.82Å; C422-T425 PolarHBondContact O-OG1 3.18Å |
| 423 | L | 93.3 | Very high | 92.4 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14.3 | 174.9 | -61 | 176.4 | 0 | 0 | 0 | 112.8 | L379 A394 S397 G421 T425 L426 | L379-L423 HydrophobicContact CD1-CD1 4.36Å; A394-L423 WeakPolarHBondContact CB-O 3.24Å; S397-L423 PolarHBondContact OG-N 2.79Å; G421-L423 PolarHBondContact O-N 3.39Å; L423-T425 PolarHBondContact O-N 3.18Å; L423-L426 HydrophobicContact CD2-CD1 4.09Å; L423-L426 WeakPolarHBondContact O-CB 3.49Å; L423-L426 PolarHBondContact O-N 3.44Å; L423-L426 VanDerWaalsContact O-N 3.07Å |
| 424 | S | 92.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -59.9 | -30.9 | -179.9 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | G421 L426 L427 | G421-S424 WeakPolarHBondContact O-CB 3.41Å; G421-S424 PolarHBondContact O-N 3.42Å; G421-S424 PolarHBondContact O-OG 3.09Å; S424-L426 PolarHBondContact O-N 2.96Å; S424-L427 WeakPolarHBondContact O-CB 3.32Å; S424-L427 PolarHBondContact O-N 3Å |
| 425 | T | 88.8 | Confident | 92 | Very high | 56 Ų | 56 | 30.2 Ų | 30.2 | 34% | 0.344 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -65.9 | -14.6 | 176.8 | 37.8 | 0 | 0 | 0 | 0 | 114.1 | N368 S372 C422 L423 L427 | N368-T425 HydrophobicContact CB-CG2 4Å; S372-T425 WeakPolarHBondContact OG-CB 3.49Å; S372-T425 PolarHBondContact OG-OG1 3.33Å; C422-T425 PolarHBondContact O-OG1 3.18Å; L423-T425 PolarHBondContact O-N 3.18Å; T425-L427 VanDerWaalsContact C-N 3.28Å |
| 426 | L | 89.2 | Confident | 91.7 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 7% | 0.073 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -76.6 | -15.2 | 172.8 | -61.2 | 179 | 0 | 0 | 0 | 113.2 | V376 A394 L423 S424 L428 P429 T430 | V376-L426 HydrophobicContact CG2-CD1 3.7Å; V376-L426 HydrophobicContact CG2-CD2 3.33Å; V376-L426 HydrophobicContact CG2-CG 4.15Å; A394-L426 HydrophobicContact CB-CB 4.46Å; L423-L426 HydrophobicContact CD2-CD1 4.09Å; L423-L426 WeakPolarHBondContact O-CB 3.49Å; L423-L426 PolarHBondContact O-N 3.44Å; L423-L426 VanDerWaalsContact O-N 3.07Å; S424-L426 PolarHBondContact O-N 2.96Å; L426-L428 PolarHBondContact O-N 3.43Å; L426-P429 VanDerWaalsContact O-CD 3.24Å; L426-P429 WeakPolarHBondContact O-CD 3.13Å; L426-P429 VanDerWaalsContact O-CG 3.31Å; L426-P429 WeakPolarHBondContact O-CG 3.33Å; L426-T430 WeakPolarHBondContact O-CB 3.22Å; L426-T430 PolarHBondContact O-N 2.83Å; L426-T430 VanDerWaalsContact O-N 3.11Å; L426-T430 PolarHBondContact O-OG1 3.31Å |
| 427 | L | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -53.7 | -170.9 | -175.1 | 54.7 | 0 | 0 | 0 | 112.5 | H329 V391 A394 L395 S424 T425 T430 M431 | H329-L427 HydrophobicContact CB-CD2 4.02Å; H329-L427 VanDerWaalsContact CG-CD2 3.42Å; H329-L427 WeakPolarHBondContact ND1-CD2 3.47Å; V391-L427 HydrophobicContact CB-CD1 4.34Å; V391-L427 HydrophobicContact CG1-CD1 3.61Å; A394-L427 HydrophobicContact CB-CB 3.92Å; A394-L427 HydrophobicContact CB-CD1 4.24Å; L395-L427 HydrophobicContact CD1-CD1 4.47Å; L395-L427 HydrophobicContact CD2-CD1 4.15Å; L395-L427 HydrophobicContact CD2-CD2 3.55Å; L395-L427 HydrophobicContact CG-CD1 3.86Å; L395-L427 HydrophobicContact CG-CD2 4.08Å; S424-L427 WeakPolarHBondContact O-CB 3.32Å; S424-L427 PolarHBondContact O-N 3Å; T425-L427 VanDerWaalsContact C-N 3.28Å; L427-T430 PolarHBondContact O-N 2.82Å; L427-M431 HydrophobicContact CD1-CG 3.98Å; L427-M431 HydrophobicContact CD1-SD 3.62Å; L427-M431 HydrophobicContact CG-SD 3.83Å; L427-M431 WeakPolarHBondContact O-CB 3.46Å; L427-M431 WeakPolarHBondContact O-CG 3.37Å; L427-M431 PolarHBondContact O-N 3.5Å |
| 428 | L | 90.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 33 Ų | 33 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -50.4 | -177.3 | -57.2 | 179.6 | 0 | 0 | 0 | 113.9 | Y326 V330 L426 M431 K432 | Y326-L428 HydrophobicContact CD2-CD2 3.64Å; Y326-L428 HydrophobicContact CE1-CD2 4.29Å; Y326-L428 HydrophobicContact CE2-CB 4Å; Y326-L428 HydrophobicContact CE2-CD2 3.39Å; Y326-L428 HydrophobicContact CE2-CG 4.24Å; Y326-L428 HydrophobicContact CG-CD2 4.21Å; V330-L428 HydrophobicContact CG2-CD2 3.94Å; L426-L428 PolarHBondContact O-N 3.43Å; L428-M431 PolarHBondContact O-N 3.21Å; L428-K432 WeakPolarHBondContact O-CG 3.26Å; L428-K432 PolarHBondContact O-N 3.48Å; L428-K432 VanDerWaalsContact O-N 3.14Å |
| 429 | P | 88.3 | Confident | 91 | Very high | 71 Ų | 71 | 33.6 Ų | 33.6 | 46% | 0.461 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 178.9 | 24.2 | -33.2 | 0 | 0 | 0 | 112.5 | L426 K432 S433 | L426-P429 VanDerWaalsContact O-CD 3.24Å; L426-P429 WeakPolarHBondContact O-CD 3.13Å; L426-P429 VanDerWaalsContact O-CG 3.31Å; L426-P429 WeakPolarHBondContact O-CG 3.33Å; P429-K432 PolarHBondContact O-N 2.97Å; P429-S433 WeakPolarHBondContact O-CB 3.34Å; P429-S433 PolarHBondContact O-N 2.92Å |
| 430 | T | 90.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -39 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | D387 L390 V391 L426 L427 S433 F434 | D387-T430 HydrophobicContact CB-CG2 4.05Å; D387-T430 VanDerWaalsContact O-CG2 3.24Å; D387-T430 WeakPolarHBondContact O-CG2 3.4Å; L390-T430 HydrophobicContact CB-CG2 3.63Å; L390-T430 HydrophobicContact CD1-CG2 4.32Å; V391-T430 HydrophobicContact CG2-CG2 3.57Å; L426-T430 WeakPolarHBondContact O-CB 3.22Å; L426-T430 PolarHBondContact O-N 2.83Å; L426-T430 VanDerWaalsContact O-N 3.11Å; L426-T430 PolarHBondContact O-OG1 3.31Å; L427-T430 PolarHBondContact O-N 2.82Å; T430-S433 PolarHBondContact O-N 3.33Å; T430-F434 WeakPolarHBondContact O-CB 3.38Å; T430-F434 PolarHBondContact O-N 3.04Å |
| 431 | M | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 175.1 | -72.7 | -178 | 83 | 0 | 0 | 112.6 | C322 V325 Y326 V391 L427 L428 F434 T435 F496 | C322-M431 HydrophobicContact CB-CE 4.34Å; C322-M431 WeakPolarHBondContact O-CE 3.4Å; C322-M431 WeakPolarHBondContact SG-CE 3.42Å; V325-M431 HydrophobicContact CB-CE 3.73Å; V325-M431 HydrophobicContact CG1-CE 3.78Å; V325-M431 HydrophobicContact CG1-SD 4.29Å; Y326-M431 HydrophobicContact CD2-CB 4.33Å; Y326-M431 HydrophobicContact CD2-SD 4.4Å; V391-M431 HydrophobicContact CG1-CG 4.17Å; V391-M431 HydrophobicContact CG2-CG 3.76Å; L427-M431 HydrophobicContact CD1-CG 3.98Å; L427-M431 HydrophobicContact CD1-SD 3.62Å; L427-M431 HydrophobicContact CG-SD 3.83Å; L427-M431 WeakPolarHBondContact O-CB 3.46Å; L427-M431 WeakPolarHBondContact O-CG 3.37Å; L427-M431 PolarHBondContact O-N 3.5Å; L428-M431 PolarHBondContact O-N 3.21Å; M431-F434 PolarHBondContact O-N 3.02Å; M431-T435 PolarHBondContact O-N 2.98Å; M431-T435 PolarHBondContact O-OG1 3.17Å; M431-F496 HydrophobicContact CE-CE2 4.41Å |
| 432 | K | 87.7 | Confident | 89.7 | Confident | 70 Ų | 70 | 43.7 Ų | 43.7 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 173.3 | -73.5 | 177.2 | -178.2 | 176.2 | 0 | 111.2 | Y326 L428 P429 T435 A436 F448 F451 | Y326-K432 HydrophobicContact CE2-CG 4.37Å; Y326-K432 WeakPolarHBondContact OH-CE 3.29Å; L428-K432 WeakPolarHBondContact O-CG 3.26Å; L428-K432 PolarHBondContact O-N 3.48Å; L428-K432 VanDerWaalsContact O-N 3.14Å; P429-K432 PolarHBondContact O-N 2.97Å; K432-T435 PolarHBondContact O-N 3.26Å; K432-A436 WeakPolarHBondContact O-CB 3.45Å; K432-A436 PolarHBondContact O-N 3.26Å; K432-F448 HydrophobicContact CB-CD1 4.45Å; K432-F448 HydrophobicContact CB-CE1 3.8Å; K432-F448 HydrophobicContact CB-CZ 4.05Å; K432-F448 HydrophobicContact CG-CD1 4.47Å; K432-F448 HydrophobicContact CG-CE1 4.29Å; K432-F448 WeakPolarHBondContact O-CE1 3.49Å; K432-F451 HydrophobicContact CG-CD2 4.37Å |
| 433 | S | 87.9 | Confident | 89.3 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 178.3 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | P429 T430 T435 A436 Q437 | P429-S433 WeakPolarHBondContact O-CB 3.34Å; P429-S433 PolarHBondContact O-N 2.92Å; T430-S433 PolarHBondContact O-N 3.33Å; S433-T435 PolarHBondContact O-N 3Å; S433-A436 PolarHBondContact O-N 3.19Å; S433-Q437 PolarHBondContact O-N 3.48Å |
| 434 | F | 92 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 175 | 171.2 | -109.8 | 0 | 0 | 0 | 111.6 | F318 C322 D387 T388 T430 M431 A436 Q437 L438 F496 V499 | F318-F434 HydrophobicContact CB-CE1 4.4Å; F318-F434 HydrophobicContact CB-CZ 4.28Å; C322-F434 HydrophobicContact CB-CD1 4.41Å; C322-F434 HydrophobicContact CB-CE1 4.47Å; D387-F434 HydrophobicContact CB-CB 4.33Å; T388-F434 HydrophobicContact CG2-CD2 3.69Å; T388-F434 HydrophobicContact CG2-CE2 3.39Å; T388-F434 HydrophobicContact CG2-CG 4.46Å; T388-F434 HydrophobicContact CG2-CZ 3.95Å; T430-F434 WeakPolarHBondContact O-CB 3.38Å; T430-F434 PolarHBondContact O-N 3.04Å; M431-F434 PolarHBondContact O-N 3.02Å; F434-A436 VanDerWaalsContact C-N 3.32Å; F434-A436 PolarHBondContact O-N 3.22Å; F434-Q437 WeakPolarHBondContact O-CB 3.4Å; F434-Q437 PolarHBondContact O-N 3.24Å; F434-Q437 VanDerWaalsContact O-N 3.16Å; F434-L438 HydrophobicContact CD1-CD1 4.33Å; F434-L438 HydrophobicContact CE1-CD1 3.73Å; F434-L438 HydrophobicContact CE2-CD1 4.45Å; F434-L438 HydrophobicContact CE2-CD2 4.38Å; F434-L438 HydrophobicContact CZ-CD1 3.8Å; F434-L438 HydrophobicContact CZ-CD2 4.37Å; F434-L438 HydrophobicContact CZ-CG 4.41Å; F434-F496 HydrophobicContact CD1-CE2 4.42Å; F434-F496 HydrophobicContact CD1-CZ 4Å; F434-F496 HydrophobicContact CE1-CE2 4.45Å; F434-F496 HydrophobicContact CE1-CZ 4.12Å; F434-F496 HydrophobicContact CG-CZ 4.45Å; F434-V499 HydrophobicContact CE1-CG1 4.1Å; F434-V499 HydrophobicContact CZ-CG1 3.62Å |
| 435 | T | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -35.7 | -178 | -43.3 | 0 | 0 | 0 | 0 | 112 | I319 C322 M431 K432 S433 Q437 L438 V439 V447 F451 | I319-T435 HydrophobicContact CB-CG2 4.41Å; I319-T435 HydrophobicContact CG1-CG2 3.98Å; I319-T435 HydrophobicContact CG2-CG2 4.07Å; C322-T435 PolarHBondContact SG-OG1 3.32Å; M431-T435 PolarHBondContact O-N 2.98Å; M431-T435 PolarHBondContact O-OG1 3.17Å; K432-T435 PolarHBondContact O-N 3.26Å; S433-T435 PolarHBondContact O-N 3Å; T435-Q437 PolarHBondContact O-N 3.31Å; T435-L438 PolarHBondContact O-N 2.89Å; T435-V439 WeakPolarHBondContact O-CG1 3.4Å; T435-V447 HydrophobicContact CG2-CG1 3.54Å; T435-F451 HydrophobicContact CG2-CE2 3.88Å; T435-F451 HydrophobicContact CG2-CZ 4.19Å; T435-F451 WeakPolarHBondContact OG1-CZ 3.33Å |
| 436 | A | 89.3 | Confident | 87.7 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -26.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K432 S433 F434 L438 V444 F448 | K432-A436 WeakPolarHBondContact O-CB 3.45Å; K432-A436 PolarHBondContact O-N 3.26Å; S433-A436 PolarHBondContact O-N 3.19Å; F434-A436 VanDerWaalsContact C-N 3.32Å; F434-A436 PolarHBondContact O-N 3.22Å; A436-L438 VanDerWaalsContact C-N 3.33Å; A436-V444 HydrophobicContact CB-CG1 4.06Å; A436-V444 HydrophobicContact CB-CG2 4.37Å; A436-F448 HydrophobicContact CB-CE1 4.06Å; A436-F448 HydrophobicContact CB-CZ 3.88Å |
| 437 | Q | 89.2 | Confident | 87.6 | Confident | 120 Ų | 120 | 44 Ų | 44 | 56% | 0.561 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -78 | -17.6 | 175.4 | -65.7 | 166.1 | 25.7 | 0 | 0 | 113.1 | D387 S433 F434 T435 | D387-Q437 PolarHBondContact OD2-NE2 3.15Å; S433-Q437 PolarHBondContact O-N 3.48Å; F434-Q437 WeakPolarHBondContact O-CB 3.4Å; F434-Q437 PolarHBondContact O-N 3.24Å; F434-Q437 VanDerWaalsContact O-N 3.16Å; T435-Q437 PolarHBondContact O-N 3.31Å |
| 438 | L | 90.4 | Very high | 87.2 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.1 | 179.9 | -56.4 | 179.8 | 0 | 0 | 0 | 113 | R311 F318 I319 F434 T435 A436 | R311-L438 PolarHBondContact NH1-O 2.94Å; F318-L438 HydrophobicContact CB-CD1 3.71Å; I319-L438 HydrophobicContact CD1-CB 4.14Å; I319-L438 HydrophobicContact CG1-CB 4.02Å; I319-L438 HydrophobicContact CG1-CD1 3.81Å; F434-L438 HydrophobicContact CD1-CD1 4.33Å; F434-L438 HydrophobicContact CE1-CD1 3.73Å; F434-L438 HydrophobicContact CE2-CD1 4.45Å; F434-L438 HydrophobicContact CE2-CD2 4.38Å; F434-L438 HydrophobicContact CZ-CD1 3.8Å; F434-L438 HydrophobicContact CZ-CD2 4.37Å; F434-L438 HydrophobicContact CZ-CG 4.41Å; T435-L438 PolarHBondContact O-N 2.89Å; A436-L438 VanDerWaalsContact C-N 3.33Å |
| 439 | V | 90.9 | Very high | 86.8 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 11% | 0.109 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -126.4 | 157.2 | -170.1 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | R311 I319 T435 E443 V444 V447 | R311-V439 VanDerWaalsContact NH1-CA 3.26Å; R311-V439 VanDerWaalsContact NH1-CB 3.34Å; I319-V439 HydrophobicContact CD1-CG1 3.82Å; T435-V439 WeakPolarHBondContact O-CG1 3.4Å; V439-E443 HydrophobicContact CB-CB 4.15Å; V439-E443 HydrophobicContact CG2-CB 4.34Å; V439-V444 HydrophobicContact CG2-CB 4.43Å; V439-V444 HydrophobicContact CG2-CG2 3.74Å; V439-V447 HydrophobicContact CB-CG2 4.34Å; V439-V447 HydrophobicContact CG1-CG2 3.69Å; V439-V447 HydrophobicContact CG2-CG2 4.29Å |
| 440 | G | 87.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | trans | -65.8 | 154.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | D442 E443 V444 | G440-D442 PolarHBondContact O-N 2.68Å; G440-E443 WeakPolarHBondContact O-CA 3.43Å; G440-E443 WeakPolarHBondContact O-CB 3.16Å; G440-E443 PolarHBondContact O-N 3.46Å; G440-V444 PolarHBondContact O-N 2.83Å | ||
| 441 | H | 81.2 | Confident | 86.7 | Confident | 190 Ų | 190 | 44.5 Ų | 44.5 | 88% | 0.88 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.9 | -179.8 | -80.5 | -70 | 0 | 0 | 0 | 113.8 | E443 | H441-E443 VanDerWaalsContact C-N 3.32Š|
| 442 | D | 83.3 | Confident | 86.3 | Confident | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.2 | 176 | 65.5 | -56.4 | 0 | 0 | 0 | 113.6 | G440 | G440-D442 PolarHBondContact O-N 2.68Š|
| 443 | E | 86.2 | Confident | 86.1 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -17.6 | -178.8 | -65.5 | -176.3 | 168.4 | 0 | 0 | 113.2 | T306 K309 R311 V439 G440 H441 G445 K446 V447 | T306-E443 HydrophobicContact CG2-CB 3.81Å; T306-E443 HydrophobicContact CG2-CG 4.09Å; K309-E443 VanDerWaalsContact CD-OE1 3.27Å; K309-E443 WeakPolarHBondContact CD-OE1 3.11Å; K309-E443 IonicContact NZ-OE1 2.68Å; K309-E443 PolarHBondContact NZ-OE1 3.46Å; R311-E443 IonicContact CZ-OE2 3.56Å; R311-E443 IonicContact NH1-OE2 3.73Å; R311-E443 IonicContact NH2-OE2 3.71Å; R311-E443 PolarHBondContact NH2-OE2 2.78Å; V439-E443 HydrophobicContact CB-CB 4.15Å; V439-E443 HydrophobicContact CG2-CB 4.34Å; G440-E443 WeakPolarHBondContact O-CA 3.43Å; G440-E443 WeakPolarHBondContact O-CB 3.16Å; G440-E443 PolarHBondContact O-N 3.46Å; H441-E443 VanDerWaalsContact C-N 3.32Å; E443-G445 VanDerWaalsContact C-N 3.33Å; E443-G445 PolarHBondContact O-N 2.98Å; E443-K446 WeakPolarHBondContact O-CB 3.43Å; E443-K446 PolarHBondContact O-N 3.16Å; E443-V447 PolarHBondContact O-N 2.97Å |
| 444 | V | 81.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.7 | -47.3 | -175.6 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | A436 V439 G440 K446 V447 F448 | A436-V444 HydrophobicContact CB-CG1 4.06Å; A436-V444 HydrophobicContact CB-CG2 4.37Å; V439-V444 HydrophobicContact CG2-CB 4.43Å; V439-V444 HydrophobicContact CG2-CG2 3.74Å; G440-V444 PolarHBondContact O-N 2.83Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 3.21Å; V444-V447 PolarHBondContact O-N 3.48Å; V444-F448 HydrophobicContact CG1-CD2 4.17Å; V444-F448 HydrophobicContact CG1-CE1 4.28Å; V444-F448 HydrophobicContact CG1-CE2 3.8Å; V444-F448 HydrophobicContact CG1-CZ 3.86Å; V444-F448 WeakPolarHBondContact O-CG 3.2Å; V444-F448 PolarHBondContact O-N 3.05Å |
| 445 | G | 73.2 | Confident | 86 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 49% | 0.485 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E443 V447 F448 T449 | E443-G445 VanDerWaalsContact C-N 3.33Å; E443-G445 PolarHBondContact O-N 2.98Å; G445-V447 PolarHBondContact O-N 3.17Å; G445-F448 PolarHBondContact O-N 3.18Å; G445-T449 PolarHBondContact O-N 3.39Å; G445-T449 PolarHBondContact O-OG1 2.8Å |
| 446 | K | 84.7 | Confident | 85.6 | Confident | 61 Ų | 61 | 45 Ų | 45 | 27% | 0.265 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 179.6 | -57.2 | 170.3 | -174.5 | 160.3 | 0 | 111.3 | E302 T306 E443 V444 T449 G450 | E302-K446 HydrophobicContact CB-CD 4.42Å; T306-K446 HydrophobicContact CG2-CB 4.34Å; T306-K446 WeakPolarHBondContact OG1-CD 3.44Å; E443-K446 WeakPolarHBondContact O-CB 3.43Å; E443-K446 PolarHBondContact O-N 3.16Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 3.21Å; K446-T449 WeakPolarHBondContact O-CB 3.45Å; K446-T449 PolarHBondContact O-N 3.32Å; K446-G450 PolarHBondContact O-N 3.37Å |
| 447 | V | 87.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | T306 Y307 T435 V439 E443 V444 G445 G450 F451 | T306-V447 HydrophobicContact CG2-CG2 3.65Å; Y307-V447 HydrophobicContact CE2-CB 4.48Å; Y307-V447 HydrophobicContact CE2-CG1 4.47Å; Y307-V447 HydrophobicContact CE2-CG2 4.46Å; Y307-V447 PolarHBondContact OH-O 2.99Å; T435-V447 HydrophobicContact CG2-CG1 3.54Å; V439-V447 HydrophobicContact CB-CG2 4.34Å; V439-V447 HydrophobicContact CG1-CG2 3.69Å; V439-V447 HydrophobicContact CG2-CG2 4.29Å; E443-V447 PolarHBondContact O-N 2.97Å; V444-V447 PolarHBondContact O-N 3.48Å; G445-V447 PolarHBondContact O-N 3.17Å; V447-G450 WeakPolarHBondContact O-CA 3.44Å; V447-G450 PolarHBondContact O-N 2.76Å; V447-G450 VanDerWaalsContact O-N 3.12Å; V447-F451 HydrophobicContact CG1-CD2 4.09Å; V447-F451 HydrophobicContact CG1-CE2 3.84Å; V447-F451 WeakPolarHBondContact O-CD2 3.35Å; V447-F451 PolarHBondContact O-N 3.4Å |
| 448 | F | 83.6 | Confident | 85.7 | Confident | 76 Ų | 76 | 41 Ų | 41 | 33% | 0.333 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -35.3 | 177.4 | -71.2 | -0.5 | 0 | 0 | 0 | 112.6 | K432 A436 V444 G445 G450 F451 G452 | K432-F448 HydrophobicContact CB-CD1 4.45Å; K432-F448 HydrophobicContact CB-CE1 3.8Å; K432-F448 HydrophobicContact CB-CZ 4.05Å; K432-F448 HydrophobicContact CG-CD1 4.47Å; K432-F448 HydrophobicContact CG-CE1 4.29Å; K432-F448 WeakPolarHBondContact O-CE1 3.49Å; A436-F448 HydrophobicContact CB-CE1 4.06Å; A436-F448 HydrophobicContact CB-CZ 3.88Å; V444-F448 HydrophobicContact CG1-CD2 4.17Å; V444-F448 HydrophobicContact CG1-CE1 4.28Å; V444-F448 HydrophobicContact CG1-CE2 3.8Å; V444-F448 HydrophobicContact CG1-CZ 3.86Å; V444-F448 WeakPolarHBondContact O-CG 3.2Å; V444-F448 PolarHBondContact O-N 3.05Å; G445-F448 PolarHBondContact O-N 3.18Å; F448-G450 VanDerWaalsContact C-N 3.29Å; F448-G450 PolarHBondContact O-N 3.3Å; F448-F451 HydrophobicContact CD1-CD2 4.33Å; F448-F451 PolarHBondContact O-N 2.8Å; F448-G452 PolarHBondContact O-N 3.46Å |
| 449 | T | 83.7 | Confident | 85.6 | Confident | 56 Ų | 56 | 41.5 Ų | 41.5 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.3 | -44.4 | 168.1 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | V299 G445 K446 F451 G452 L453 | V299-T449 HydrophobicContact CG1-CG2 3.85Å; G445-T449 PolarHBondContact O-N 3.39Å; G445-T449 PolarHBondContact O-OG1 2.8Å; K446-T449 WeakPolarHBondContact O-CB 3.45Å; K446-T449 PolarHBondContact O-N 3.32Å; T449-F451 PolarHBondContact O-N 3.33Å; T449-G452 PolarHBondContact O-N 3.43Å; T449-L453 HydrophobicContact CG2-CD1 4.07Å; T449-L453 HydrophobicContact CG2-CG 4.42Å; T449-L453 WeakPolarHBondContact O-CG 3.48Å; T449-L453 PolarHBondContact O-N 3Å |
| 450 | G | 87.7 | Confident | 85.3 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.4 | -50.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F323 K446 V447 F448 G452 L453 G454 | F323-G450 WeakPolarHBondContact CE2-O 3.47Å; K446-G450 PolarHBondContact O-N 3.37Å; V447-G450 WeakPolarHBondContact O-CA 3.44Å; V447-G450 PolarHBondContact O-N 2.76Å; V447-G450 VanDerWaalsContact O-N 3.12Å; F448-G450 VanDerWaalsContact C-N 3.29Å; F448-G450 PolarHBondContact O-N 3.3Å; G450-G452 VanDerWaalsContact C-N 3.31Å; G450-G452 PolarHBondContact O-N 3.04Å; G450-L453 PolarHBondContact O-N 3.32Å; G450-G454 PolarHBondContact O-N 3.39Å |
| 451 | F | 89.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 175.2 | -79.9 | -68 | 0 | 0 | 0 | 112.9 | F323 Y326 K432 T435 V447 F448 T449 S455 | F323-F451 HydrophobicContact CB-CE1 4.43Å; F323-F451 HydrophobicContact CD2-CD1 4.06Å; F323-F451 HydrophobicContact CD2-CE1 4.19Å; Y326-F451 AromaticContact CD1-CD1 3.63Å; Y326-F451 HydrophobicContact CD1-CD1 3.63Å; Y326-F451 HydrophobicContact CD1-CE1 4.24Å; Y326-F451 AromaticContact CD2-CD1 3.59Å; Y326-F451 HydrophobicContact CD2-CD1 3.59Å; Y326-F451 AromaticContact CD2-CE1 3.73Å; Y326-F451 HydrophobicContact CD2-CE1 3.73Å; Y326-F451 HydrophobicContact CE1-CB 4.38Å; Y326-F451 HydrophobicContact CE1-CD1 4Å; Y326-F451 AromaticContact CE2-CD1 3.93Å; Y326-F451 HydrophobicContact CE2-CD1 3.93Å; Y326-F451 HydrophobicContact CE2-CE1 4.45Å; Y326-F451 HydrophobicContact CE2-CG 4.46Å; Y326-F451 AromaticContact CG-CD1 3.43Å; Y326-F451 HydrophobicContact CG-CD1 3.43Å; Y326-F451 VanDerWaalsContact CG-CD1 3.43Å; Y326-F451 AromaticContact CG-CE1 3.61Å; Y326-F451 HydrophobicContact CG-CE1 3.61Å; K432-F451 HydrophobicContact CG-CD2 4.37Å; T435-F451 HydrophobicContact CG2-CE2 3.88Å; T435-F451 HydrophobicContact CG2-CZ 4.19Å; T435-F451 WeakPolarHBondContact OG1-CZ 3.33Å; V447-F451 HydrophobicContact CG1-CD2 4.09Å; V447-F451 HydrophobicContact CG1-CE2 3.84Å; V447-F451 WeakPolarHBondContact O-CD2 3.35Å; V447-F451 PolarHBondContact O-N 3.4Å; F448-F451 HydrophobicContact CD1-CD2 4.33Å; F448-F451 PolarHBondContact O-N 2.8Å; T449-F451 PolarHBondContact O-N 3.33Å; F451-S455 VanDerWaalsContact O-CB 3.26Å; F451-S455 WeakPolarHBondContact O-CB 3.26Å; F451-S455 PolarHBondContact O-N 3.13Å |
| 452 | G | 83.7 | Confident | 85.8 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.1 | -50.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F448 T449 G450 S455 N456 | F448-G452 PolarHBondContact O-N 3.46Å; T449-G452 PolarHBondContact O-N 3.43Å; G450-G452 VanDerWaalsContact C-N 3.31Å; G450-G452 PolarHBondContact O-N 3.04Å; G452-S455 WeakPolarHBondContact O-CB 3.34Å; G452-S455 PolarHBondContact O-N 2.99Å; G452-N456 PolarHBondContact O-N 3.37Å; G452-N456 VanDerWaalsContact O-N 3.09Å |
| 453 | L | 83.8 | Confident | 85.6 | Confident | 41 Ų | 41 | 29.9 Ų | 29.9 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 177.2 | -67.9 | 170.8 | 0 | 0 | 0 | 111.6 | L300 T449 G450 S455 N456 V457 | L300-L453 HydrophobicContact CD2-CD1 3.5Å; L300-L453 VanDerWaalsContact CD2-CD1 3.5Å; T449-L453 HydrophobicContact CG2-CD1 4.07Å; T449-L453 HydrophobicContact CG2-CG 4.42Å; T449-L453 WeakPolarHBondContact O-CG 3.48Å; T449-L453 PolarHBondContact O-N 3Å; G450-L453 PolarHBondContact O-N 3.32Å; L453-S455 VanDerWaalsContact C-N 3.3Å; L453-S455 PolarHBondContact O-N 3.41Å; L453-N456 PolarHBondContact O-N 3.04Å; L453-V457 WeakPolarHBondContact O-CG2 3.35Å; L453-V457 PolarHBondContact O-N 3.32Å; L453-V457 VanDerWaalsContact O-N 3.12Å |
| 454 | G | 89.3 | Confident | 85.5 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F327 G450 N456 V457 A458 | F327-G454 WeakPolarHBondContact CD2-O 3.39Å; F327-G454 WeakPolarHBondContact CE2-O 3.22Å; G450-G454 PolarHBondContact O-N 3.39Å; G454-N456 PolarHBondContact O-N 3.01Å; G454-V457 PolarHBondContact O-N 3.45Å; G454-A458 VanDerWaalsContact O-CB 3.25Å; G454-A458 WeakPolarHBondContact O-CB 3.48Å; G454-A458 PolarHBondContact O-N 3.22Å |
| 455 | S | 88.1 | Confident | 86 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 176.8 | -165.9 | 0 | 0 | 0 | 0 | 112.5 | F451 G452 L453 A458 H459 | F451-S455 VanDerWaalsContact O-CB 3.26Å; F451-S455 WeakPolarHBondContact O-CB 3.26Å; F451-S455 PolarHBondContact O-N 3.13Å; G452-S455 WeakPolarHBondContact O-CB 3.34Å; G452-S455 PolarHBondContact O-N 2.99Å; L453-S455 VanDerWaalsContact C-N 3.3Å; L453-S455 PolarHBondContact O-N 3.41Å; S455-A458 WeakPolarHBondContact O-CB 3.38Å; S455-A458 PolarHBondContact O-N 2.81Å; S455-H459 PolarHBondContact O-N 3.12Å |
| 456 | N | 83.9 | Confident | 86.8 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | -179.7 | -70.8 | -4.7 | 0 | 0 | 0 | 111.2 | L92 G452 L453 G454 H459 L460 | L92-N456 HydrophobicContact CD1-CB 3.36Å; G452-N456 PolarHBondContact O-N 3.37Å; G452-N456 VanDerWaalsContact O-N 3.09Å; L453-N456 PolarHBondContact O-N 3.04Å; G454-N456 PolarHBondContact O-N 3.01Å; N456-H459 PolarHBondContact O-N 3.48Å; N456-L460 PolarHBondContact O-N 3.41Å; N456-L460 VanDerWaalsContact O-N 3.14Å |
| 457 | V | 89 | Confident | 86.9 | Confident | 58 Ų | 58 | 30.7 Ų | 30.7 | 35% | 0.352 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 173.3 | 175.6 | 0 | 0 | 0 | 0 | 111 | L92 F327 L453 G454 H459 L460 L461 | L92-V457 HydrophobicContact CD1-CG2 4Å; L92-V457 HydrophobicContact CD2-CG2 3.91Å; F327-V457 HydrophobicContact CE2-CB 4.23Å; F327-V457 HydrophobicContact CE2-CG1 4.04Å; F327-V457 HydrophobicContact CZ-CG1 4.28Å; L453-V457 WeakPolarHBondContact O-CG2 3.35Å; L453-V457 PolarHBondContact O-N 3.32Å; L453-V457 VanDerWaalsContact O-N 3.12Å; G454-V457 PolarHBondContact O-N 3.45Å; V457-H459 VanDerWaalsContact C-N 3.32Å; V457-H459 PolarHBondContact O-N 2.85Å; V457-L460 PolarHBondContact O-N 3.46Å; V457-L461 HydrophobicContact CG1-CD1 3.96Å; V457-L461 WeakPolarHBondContact O-CG 3.35Å; V457-L461 PolarHBondContact O-N 3.31Å |
| 458 | A | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F327 V330 V331 G454 S455 L461 S462 | F327-A458 HydrophobicContact CD2-CB 3.79Å; F327-A458 HydrophobicContact CE2-CB 3.78Å; F327-A458 HydrophobicContact CG-CB 4.24Å; F327-A458 HydrophobicContact CZ-CB 4.23Å; V330-A458 HydrophobicContact CB-CB 3.86Å; V330-A458 HydrophobicContact CG1-CB 3.63Å; V331-A458 HydrophobicContact CG2-CB 3.6Å; G454-A458 VanDerWaalsContact O-CB 3.25Å; G454-A458 WeakPolarHBondContact O-CB 3.48Å; G454-A458 PolarHBondContact O-N 3.22Å; S455-A458 WeakPolarHBondContact O-CB 3.38Å; S455-A458 PolarHBondContact O-N 2.81Å; A458-L461 PolarHBondContact O-N 2.85Å; A458-S462 WeakPolarHBondContact O-CB 3.41Å; A458-S462 PolarHBondContact O-N 2.94Å |
| 459 | H | 86.9 | Confident | 87.5 | Confident | 34 Ų | 34 | 31.6 Ų | 31.6 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -39.3 | 177.2 | -164.6 | 172.5 | 0 | 0 | 0 | 111.9 | L88 S455 N456 V457 L461 S462 | L88-H459 WeakPolarHBondContact CD1-O 3.38Å; S455-H459 PolarHBondContact O-N 3.12Å; N456-H459 PolarHBondContact O-N 3.48Å; V457-H459 VanDerWaalsContact C-N 3.32Å; V457-H459 PolarHBondContact O-N 2.85Å; H459-L461 PolarHBondContact O-N 3.42Å; H459-S462 PolarHBondContact O-N 2.74Å; H459-S462 PolarHBondContact O-OG 3.39Å |
| 460 | L | 85.1 | Confident | 87.9 | Confident | 39 Ų | 39 | 29 Ų | 29 | 20% | 0.204 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.6 | -179.7 | 62.7 | 0 | 0 | 0 | 111.5 | L88 N456 V457 | L88-L460 HydrophobicContact CB-CB 4.42Å; L88-L460 HydrophobicContact CB-CD1 3.77Å; N456-L460 PolarHBondContact O-N 3.41Å; N456-L460 VanDerWaalsContact O-N 3.14Å; V457-L460 PolarHBondContact O-N 3.46Å |
| 461 | L | 90.1 | Very high | 88 | Confident | 66 Ų | 66 | 30 Ų | 30 | 35% | 0.346 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.4 | -33.3 | 178.9 | -70.7 | 167.3 | 0 | 0 | 0 | 112.7 | F327 V457 A458 H459 A463 I464 L465 | F327-L461 HydrophobicContact CE1-CD1 4.28Å; F327-L461 HydrophobicContact CZ-CD1 3.62Å; V457-L461 HydrophobicContact CG1-CD1 3.96Å; V457-L461 WeakPolarHBondContact O-CG 3.35Å; V457-L461 PolarHBondContact O-N 3.31Å; A458-L461 PolarHBondContact O-N 2.85Å; H459-L461 PolarHBondContact O-N 3.42Å; L461-A463 PolarHBondContact O-N 3.04Å; L461-I464 PolarHBondContact O-N 3.15Å; L461-L465 HydrophobicContact CB-CD1 4.27Å; L461-L465 WeakPolarHBondContact O-CB 3.35Å; L461-L465 WeakPolarHBondContact O-CG 3.38Å; L461-L465 PolarHBondContact O-N 3.21Å |
| 462 | S | 88.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | -177.7 | 72 | 0 | 0 | 0 | 0 | 112.5 | V331 G335 A458 H459 I464 L466 | V331-S462 WeakPolarHBondContact O-CB 3.26Å; G335-S462 PolarHBondContact N-OG 2.98Å; A458-S462 WeakPolarHBondContact O-CB 3.41Å; A458-S462 PolarHBondContact O-N 2.94Å; H459-S462 PolarHBondContact O-N 2.74Å; H459-S462 PolarHBondContact O-OG 3.39Å; S462-I464 VanDerWaalsContact C-N 3.33Å; S462-I464 PolarHBondContact O-N 3.38Å; S462-L466 PolarHBondContact O-N 2.95Å |
| 463 | A | 78.4 | Confident | 88.7 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q81 A84 L461 N467 | Q81-A463 WeakPolarHBondContact CG-O 3.39Å; A84-A463 HydrophobicContact CB-CB 3.55Å; L461-A463 PolarHBondContact O-N 3.04Å; A463-N467 VanDerWaalsContact O-CB 3.31Å; A463-N467 WeakPolarHBondContact O-CB 3.41Å; A463-N467 PolarHBondContact O-N 3.46Å; A463-N467 PolarHBondContact O-ND2 3Å |
| 464 | I | 85.3 | Confident | 89 | Confident | 76 Ų | 76 | 30.7 Ų | 30.7 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.6 | -55.3 | -179.3 | -60.4 | 170.1 | 0 | 0 | 0 | 110.4 | Q81 L461 S462 S468 | Q81-I464 PolarHBondContact OE1-O 3.24Å; L461-I464 PolarHBondContact O-N 3.15Å; S462-I464 VanDerWaalsContact C-N 3.33Å; S462-I464 PolarHBondContact O-N 3.38Å; I464-S468 WeakPolarHBondContact O-CB 3.49Å; I464-S468 PolarHBondContact O-N 3.05Å; I464-S468 VanDerWaalsContact O-N 3.08Å; I464-S468 PolarHBondContact O-OG 3.34Å |
| 465 | L | 91.6 | Very high | 89 | Confident | 92 Ų | 92 | 33 Ų | 33 | 48% | 0.482 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64 | -52.5 | -172.5 | -71.6 | 170.2 | 0 | 0 | 0 | 112.2 | V331 L461 S468 L469 | V331-L465 HydrophobicContact CG1-CD1 4.09Å; L461-L465 HydrophobicContact CB-CD1 4.27Å; L461-L465 WeakPolarHBondContact O-CB 3.35Å; L461-L465 WeakPolarHBondContact O-CG 3.38Å; L461-L465 PolarHBondContact O-N 3.21Å; L465-S468 PolarHBondContact O-N 2.9Å; L465-L469 WeakPolarHBondContact O-CB 2.96Å; L465-L469 PolarHBondContact O-N 3.38Å |
| 466 | L | 90.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -78.6 | -33.2 | -168.9 | -63.6 | -151.6 | 0 | 0 | 0 | 113.2 | L336 V340 S462 L469 Y470 V481 F484 | L336-L466 HydrophobicContact CD1-CD1 4.45Å; L336-L466 HydrophobicContact CD2-CD1 3.89Å; L336-L466 HydrophobicContact CG-CD1 3.6Å; V340-L466 HydrophobicContact CG2-CB 4.3Å; S462-L466 PolarHBondContact O-N 2.95Å; L466-L469 PolarHBondContact O-N 3.24Å; L466-Y470 WeakPolarHBondContact O-CB 3.48Å; L466-Y470 PolarHBondContact O-N 2.94Å; L466-V481 HydrophobicContact CB-CG1 4.1Å; L466-V481 HydrophobicContact CD1-CG1 4.21Å; L466-V481 HydrophobicContact CD2-CG1 4.4Å; L466-V481 HydrophobicContact CG-CG1 4.48Å; L466-F484 HydrophobicContact CD2-CD1 4.04Å; L466-F484 HydrophobicContact CD2-CE1 4.03Å |
| 467 | N | 87.2 | Confident | 89.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.6 | -32.1 | 173.9 | -71.3 | -84.6 | 0 | 0 | 0 | 111.6 | Q81 S339 V340 A463 L469 Y470 S471 | Q81-N467 HydrophobicContact CG-CB 3.13Å; Q81-N467 PolarHBondContact NE2-O 3.49Å; S339-N467 WeakPolarHBondContact CB-OD1 2.97Å; S339-N467 PolarHBondContact OG-ND2 3.39Å; S339-N467 PolarHBondContact OG-OD1 3.42Å; V340-N467 HydrophobicContact CG2-CB 4.4Å; V340-N467 WeakPolarHBondContact CG2-OD1 3.35Å; A463-N467 VanDerWaalsContact O-CB 3.31Å; A463-N467 WeakPolarHBondContact O-CB 3.41Å; A463-N467 PolarHBondContact O-N 3.46Å; A463-N467 PolarHBondContact O-ND2 3Å; N467-L469 VanDerWaalsContact C-N 3.33Å; N467-Y470 PolarHBondContact O-N 3.39Å; N467-S471 WeakPolarHBondContact O-CB 3.36Å; N467-S471 PolarHBondContact O-N 3.48Å |
| 468 | S | 89.8 | Confident | 89.5 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 169.7 | -71.4 | 0 | 0 | 0 | 0 | 110.6 | Q81 I464 L465 S471 A472 | Q81-S468 PolarHBondContact OE1-OG 3.14Å; I464-S468 WeakPolarHBondContact O-CB 3.49Å; I464-S468 PolarHBondContact O-N 3.05Å; I464-S468 VanDerWaalsContact O-N 3.08Å; I464-S468 PolarHBondContact O-OG 3.34Å; L465-S468 PolarHBondContact O-N 2.9Å; S468-S471 PolarHBondContact O-N 3.29Å; S468-A472 WeakPolarHBondContact O-CB 3.4Å; S468-A472 PolarHBondContact O-N 2.94Å |
| 469 | L | 93.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.2 | -173.1 | 63.1 | 0 | 0 | 0 | 111.5 | L465 L466 N467 A472 T473 F480 V481 F484 | L465-L469 WeakPolarHBondContact O-CB 2.96Å; L465-L469 PolarHBondContact O-N 3.38Å; L466-L469 PolarHBondContact O-N 3.24Å; N467-L469 VanDerWaalsContact C-N 3.33Å; L469-A472 PolarHBondContact O-N 3.25Å; L469-T473 HydrophobicContact CD1-CG2 3.96Å; L469-T473 HydrophobicContact CG-CG2 4.42Å; L469-T473 WeakPolarHBondContact O-CB 3.18Å; L469-T473 WeakPolarHBondContact O-CG2 3.32Å; L469-T473 PolarHBondContact O-N 3.48Å; L469-T473 PolarHBondContact O-OG1 3.49Å; L469-F480 HydrophobicContact CD1-CD1 4.4Å; L469-F480 HydrophobicContact CD1-CE1 4.11Å; L469-F480 HydrophobicContact CD2-CD1 4.44Å; L469-F480 HydrophobicContact CD2-CE1 4.41Å; L469-F480 HydrophobicContact CG-CD1 4.45Å; L469-V481 HydrophobicContact CD2-CG1 4.23Å; L469-V481 HydrophobicContact CD2-CG2 4.45Å; L469-V481 HydrophobicContact CG-CG2 4.24Å; L469-F484 HydrophobicContact CD2-CB 3.66Å; L469-F484 HydrophobicContact CD2-CD1 3.47Å; L469-F484 VanDerWaalsContact CD2-CD1 3.47Å; L469-F484 HydrophobicContact CD2-CD2 4.03Å; L469-F484 HydrophobicContact CD2-CE1 4.09Å; L469-F484 HydrophobicContact CD2-CG 3.43Å; L469-F484 VanDerWaalsContact CD2-CG 3.43Å |
| 470 | Y | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -50.3 | 176.2 | -172.5 | -104.5 | 0 | 0 | 0 | 111.1 | Q73 V340 L343 L466 N467 A472 T473 V474 P478 V481 | Q73-Y470 PolarHBondContact OE1-OH 3.12Å; V340-Y470 HydrophobicContact CG1-CD2 3.5Å; V340-Y470 HydrophobicContact CG1-CE2 4.08Å; V340-Y470 HydrophobicContact CG1-CG 3.84Å; V340-Y470 HydrophobicContact CG2-CG 4.46Å; L343-Y470 HydrophobicContact CB-CE1 3.94Å; L343-Y470 HydrophobicContact CD1-CD1 4.44Å; L343-Y470 HydrophobicContact CD1-CE1 4.27Å; L466-Y470 WeakPolarHBondContact O-CB 3.48Å; L466-Y470 PolarHBondContact O-N 2.94Å; N467-Y470 PolarHBondContact O-N 3.39Å; Y470-A472 VanDerWaalsContact C-N 3.26Å; Y470-A472 PolarHBondContact O-N 3.42Å; Y470-T473 PolarHBondContact O-N 3.2Å; Y470-T473 VanDerWaalsContact O-N 3.09Å; Y470-V474 HydrophobicContact CD1-CB 4.41Å; Y470-V474 HydrophobicContact CD1-CG2 4.48Å; Y470-V474 HydrophobicContact CE1-CB 4.21Å; Y470-V474 HydrophobicContact CE1-CG2 3.81Å; Y470-V474 HydrophobicContact CE2-CG2 4.22Å; Y470-V474 WeakPolarHBondContact O-CA 3.41Å; Y470-V474 WeakPolarHBondContact O-CB 3.43Å; Y470-V474 PolarHBondContact O-N 3.3Å; Y470-P478 HydrophobicContact CE2-CB 4.24Å; Y470-V481 HydrophobicContact CD2-CG2 3.82Å; Y470-V481 HydrophobicContact CG-CG2 4.32Å |
| 471 | S | 89.7 | Confident | 90.3 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.1 | -39.3 | 178.6 | -170.3 | 0 | 0 | 0 | 0 | 112.7 | K74 S77 N467 S468 | K74-S471 VanDerWaalsContact CE-O 3.24Å; K74-S471 WeakPolarHBondContact CE-O 3.31Å; S77-S471 WeakPolarHBondContact OG-CB 3.5Å; N467-S471 WeakPolarHBondContact O-CB 3.36Å; N467-S471 PolarHBondContact O-N 3.48Å; S468-S471 PolarHBondContact O-N 3.29Å |
| 472 | A | 92.5 | Very high | 90.6 | Very high | 67 Ų | 67 | 37.7 Ų | 37.7 | 55% | 0.554 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -72.1 | -33.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S468 L469 Y470 | S468-A472 WeakPolarHBondContact O-CB 3.4Å; S468-A472 PolarHBondContact O-N 2.94Å; L469-A472 PolarHBondContact O-N 3.25Å; Y470-A472 VanDerWaalsContact C-N 3.26Å; Y470-A472 PolarHBondContact O-N 3.42Å |
| 473 | T | 94.5 | Very high | 91 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -105.3 | -14.3 | -169.4 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | L469 Y470 S475 I476 Y477 F480 | L469-T473 HydrophobicContact CD1-CG2 3.96Å; L469-T473 HydrophobicContact CG-CG2 4.42Å; L469-T473 WeakPolarHBondContact O-CB 3.18Å; L469-T473 WeakPolarHBondContact O-CG2 3.32Å; L469-T473 PolarHBondContact O-N 3.48Å; L469-T473 PolarHBondContact O-OG1 3.49Å; Y470-T473 PolarHBondContact O-N 3.2Å; Y470-T473 VanDerWaalsContact O-N 3.09Å; T473-S475 VanDerWaalsContact C-N 3.31Å; T473-S475 PolarHBondContact O-N 2.94Å; T473-I476 PolarHBondContact O-N 2.94Å; T473-Y477 CarbonylContact O-C 3.4Å; T473-Y477 PolarHBondContact O-N 3.12Å; T473-F480 HydrophobicContact CG2-CD1 3.65Å; T473-F480 HydrophobicContact CG2-CE1 4.07Å; T473-F480 HydrophobicContact CG2-CG 4.16Å |
| 474 | V | 90.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -45.6 | -175.3 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | Q73 K74 R347 Y470 I476 | Q73-V474 HydrophobicContact CB-CG2 4.02Å; K74-V474 HydrophobicContact CD-CG1 4.24Å; K74-V474 HydrophobicContact CG-CG1 3.57Å; R347-V474 PolarHBondContact NH1-O 2.83Å; Y470-V474 HydrophobicContact CD1-CB 4.41Å; Y470-V474 HydrophobicContact CD1-CG2 4.48Å; Y470-V474 HydrophobicContact CE1-CB 4.21Å; Y470-V474 HydrophobicContact CE1-CG2 3.81Å; Y470-V474 HydrophobicContact CE2-CG2 4.22Å; Y470-V474 WeakPolarHBondContact O-CA 3.41Å; Y470-V474 WeakPolarHBondContact O-CB 3.43Å; Y470-V474 PolarHBondContact O-N 3.3Å; V474-I476 PolarHBondContact O-N 2.99Å |
| 475 | S | 88.7 | Confident | 92.2 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 41% | 0.406 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17 | 179.7 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | K74 T473 | K74-S475 PolarHBondContact NZ-OG 3.33Å; T473-S475 VanDerWaalsContact C-N 3.31Å; T473-S475 PolarHBondContact O-N 2.94Å |
| 476 | I | 91.4 | Very high | 92.5 | Very high | 144 Ų | 144 | 36.3 Ų | 36.3 | 74% | 0.738 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -59.7 | 178 | -58 | 171.4 | 0 | 0 | 0 | 109.7 | T473 V474 | T473-I476 PolarHBondContact O-N 2.94Å; V474-I476 PolarHBondContact O-N 2.99Å |
| 477 | Y | 92.2 | Very high | 92.7 | Very high | 89 Ų | 89 | 40 Ų | 40 | 35% | 0.349 | 22% | 0.224 | S | C | . | . | trans | -157.2 | 110.3 | 178.8 | -172.6 | -109.2 | 0 | 0 | 0 | 110.3 | G406 T473 G479 F480 F483 | G406-Y477 PolarHBondContact O-OH 3.31Å; T473-Y477 CarbonylContact O-C 3.4Å; T473-Y477 PolarHBondContact O-N 3.12Å; Y477-G479 VanDerWaalsContact CE1-CA 3.41Å; Y477-G479 PolarHBondContact O-N 2.91Å; Y477-F480 HydrophobicContact CD1-CB 4.22Å; Y477-F480 VanDerWaalsContact CD1-N 3.31Å; Y477-F480 WeakPolarHBondContact O-CB 3.4Å; Y477-F480 PolarHBondContact O-N 2.74Å; Y477-F480 VanDerWaalsContact O-N 3.09Å; Y477-F483 HydrophobicContact CD1-CE2 4.19Å; Y477-F483 HydrophobicContact CE1-CD2 4.14Å; Y477-F483 AromaticContact CE1-CE2 3.44Å; Y477-F483 HydrophobicContact CE1-CE2 3.44Å; Y477-F483 VanDerWaalsContact CE1-CE2 3.44Å; Y477-F483 HydrophobicContact CE1-CZ 4.27Å | ||
| 478 | P | 87.8 | Confident | 93.1 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.4 | -175.8 | 24 | -32.3 | 0 | 0 | 0 | 113.4 | F344 Y470 F480 | F344-P478 HydrophobicContact CD2-CB 3.96Å; F344-P478 HydrophobicContact CE2-CB 4.21Å; F344-P478 HydrophobicContact CE2-CG 4.37Å; Y470-P478 HydrophobicContact CE2-CB 4.24Å; P478-F480 PolarHBondContact O-N 2.77Å |
| 479 | G | 92.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y477 V481 F482 F483 | Y477-G479 VanDerWaalsContact CE1-CA 3.41Å; Y477-G479 PolarHBondContact O-N 2.91Å; G479-V481 VanDerWaalsContact C-N 3.28Å; G479-V481 PolarHBondContact O-N 3.32Å; G479-F482 PolarHBondContact O-N 3.06Å; G479-F482 VanDerWaalsContact O-N 3.09Å; G479-F483 PolarHBondContact O-N 3.41Å |
| 480 | F | 94.8 | Very high | 93.5 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.4 | -37.5 | -172.8 | -176.2 | -87.4 | 0 | 0 | 0 | 112.7 | L469 T473 Y477 P478 F482 F483 F484 | L469-F480 HydrophobicContact CD1-CD1 4.4Å; L469-F480 HydrophobicContact CD1-CE1 4.11Å; L469-F480 HydrophobicContact CD2-CD1 4.44Å; L469-F480 HydrophobicContact CD2-CE1 4.41Å; L469-F480 HydrophobicContact CG-CD1 4.45Å; T473-F480 HydrophobicContact CG2-CD1 3.65Å; T473-F480 HydrophobicContact CG2-CE1 4.07Å; T473-F480 HydrophobicContact CG2-CG 4.16Å; Y477-F480 HydrophobicContact CD1-CB 4.22Å; Y477-F480 VanDerWaalsContact CD1-N 3.31Å; Y477-F480 WeakPolarHBondContact O-CB 3.4Å; Y477-F480 PolarHBondContact O-N 2.74Å; Y477-F480 VanDerWaalsContact O-N 3.09Å; P478-F480 PolarHBondContact O-N 2.77Å; F480-F482 PolarHBondContact O-N 3.13Å; F480-F483 PolarHBondContact O-N 3.07Å; F480-F483 VanDerWaalsContact O-N 3.13Å; F480-F484 PolarHBondContact O-N 3.08Å |
| 481 | V | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -31.9 | -178.9 | -168 | 0 | 0 | 0 | 0 | 111.6 | L336 V340 L466 L469 Y470 G479 F484 G485 | L336-V481 HydrophobicContact CD2-CB 4.26Å; L336-V481 HydrophobicContact CD2-CG1 3.64Å; V340-V481 HydrophobicContact CG1-CB 4.35Å; V340-V481 HydrophobicContact CG1-CG1 4.28Å; V340-V481 HydrophobicContact CG1-CG2 4.49Å; L466-V481 HydrophobicContact CB-CG1 4.1Å; L466-V481 HydrophobicContact CD1-CG1 4.21Å; L466-V481 HydrophobicContact CD2-CG1 4.4Å; L466-V481 HydrophobicContact CG-CG1 4.48Å; L469-V481 HydrophobicContact CD2-CG1 4.23Å; L469-V481 HydrophobicContact CD2-CG2 4.45Å; L469-V481 HydrophobicContact CG-CG2 4.24Å; Y470-V481 HydrophobicContact CD2-CG2 3.82Å; Y470-V481 HydrophobicContact CG-CG2 4.32Å; G479-V481 VanDerWaalsContact C-N 3.28Å; G479-V481 PolarHBondContact O-N 3.32Å; V481-F484 PolarHBondContact O-N 3.48Å; V481-G485 PolarHBondContact O-N 2.98Å |
| 482 | F | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71 | -39.4 | 175.3 | -59.9 | -79.2 | 0 | 0 | 0 | 111.9 | L336 F341 F344 R402 T405 G479 F480 F484 G485 A486 | L336-F482 HydrophobicContact CB-CE1 4.39Å; L336-F482 HydrophobicContact CD1-CD1 3.65Å; L336-F482 HydrophobicContact CD1-CE1 4.08Å; L336-F482 HydrophobicContact CD2-CD1 3.95Å; L336-F482 HydrophobicContact CD2-CE1 3.81Å; L336-F482 HydrophobicContact CD2-CZ 4.35Å; L336-F482 HydrophobicContact CG-CD1 4.32Å; L336-F482 HydrophobicContact CG-CE1 4.3Å; F341-F482 HydrophobicContact CB-CZ 4.42Å; F341-F482 AromaticContact CD2-CE1 3.81Å; F341-F482 HydrophobicContact CD2-CE1 3.81Å; F341-F482 AromaticContact CD2-CZ 3.79Å; F341-F482 HydrophobicContact CD2-CZ 3.79Å; F344-F482 HydrophobicContact CB-CE2 4.02Å; F344-F482 HydrophobicContact CB-CZ 4.17Å; F344-F482 AromaticContact CD1-CE2 3.8Å; F344-F482 HydrophobicContact CD1-CE2 3.8Å; F344-F482 HydrophobicContact CD1-CZ 4.05Å; F344-F482 AromaticContact CD2-CE2 3.71Å; F344-F482 HydrophobicContact CD2-CE2 3.71Å; F344-F482 HydrophobicContact CE1-CE2 4.17Å; F344-F482 HydrophobicContact CE2-CE2 4.1Å; F344-F482 AromaticContact CG-CE2 3.56Å; F344-F482 HydrophobicContact CG-CE2 3.56Å; F344-F482 HydrophobicContact CG-CZ 4.02Å; F344-F482 HydrophobicContact CZ-CE2 4.32Å; R402-F482 VanDerWaalsContact O-CB 3.31Å; R402-F482 WeakPolarHBondContact O-CB 3.3Å; T405-F482 HydrophobicContact CG2-CD1 3.7Å; T405-F482 HydrophobicContact CG2-CD2 4.23Å; T405-F482 HydrophobicContact CG2-CE1 3.52Å; T405-F482 HydrophobicContact CG2-CE2 4.07Å; T405-F482 HydrophobicContact CG2-CG 4.07Å; T405-F482 HydrophobicContact CG2-CZ 3.71Å; G479-F482 PolarHBondContact O-N 3.06Å; G479-F482 VanDerWaalsContact O-N 3.09Å; F480-F482 PolarHBondContact O-N 3.13Å; F482-F484 VanDerWaalsContact C-N 3.34Å; F482-G485 PolarHBondContact O-N 3.39Å; F482-A486 PolarHBondContact O-N 3.32Å |
| 483 | F | 96.5 | Very high | 94 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 172.8 | -61.8 | -43.9 | 0 | 0 | 0 | 112.1 | I403 L407 Y477 G479 F480 G485 A486 C487 | I403-F483 HydrophobicContact CG1-CD1 4.49Å; I403-F483 HydrophobicContact CG2-CE1 4.31Å; L407-F483 HydrophobicContact CD2-CE1 4.41Å; L407-F483 HydrophobicContact CD2-CZ 3.69Å; L407-F483 HydrophobicContact CG-CE1 4.06Å; L407-F483 HydrophobicContact CG-CZ 3.77Å; Y477-F483 HydrophobicContact CD1-CE2 4.19Å; Y477-F483 HydrophobicContact CE1-CD2 4.14Å; Y477-F483 AromaticContact CE1-CE2 3.44Å; Y477-F483 HydrophobicContact CE1-CE2 3.44Å; Y477-F483 VanDerWaalsContact CE1-CE2 3.44Å; Y477-F483 HydrophobicContact CE1-CZ 4.27Å; G479-F483 PolarHBondContact O-N 3.41Å; F480-F483 PolarHBondContact O-N 3.07Å; F480-F483 VanDerWaalsContact O-N 3.13Å; F483-G485 VanDerWaalsContact C-N 3.33Å; F483-G485 PolarHBondContact O-N 3.06Å; F483-A486 WeakPolarHBondContact O-CB 3.3Å; F483-A486 PolarHBondContact O-N 3Å; F483-A486 VanDerWaalsContact O-N 3.15Å; F483-C487 PolarHBondContact O-N 3.49Å; F483-C487 PolarHBondContact O-SG 2.97Å |
| 484 | F | 95.4 | Very high | 94.1 | Very high | 79 Ų | 79 | 46.3 Ų | 46.3 | 35% | 0.346 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 172.4 | 179.6 | -99.3 | 0 | 0 | 0 | 111.7 | L466 L469 F480 V481 F482 A486 C487 L488 | L466-F484 HydrophobicContact CD2-CD1 4.04Å; L466-F484 HydrophobicContact CD2-CE1 4.03Å; L469-F484 HydrophobicContact CD2-CB 3.66Å; L469-F484 HydrophobicContact CD2-CD1 3.47Å; L469-F484 VanDerWaalsContact CD2-CD1 3.47Å; L469-F484 HydrophobicContact CD2-CD2 4.03Å; L469-F484 HydrophobicContact CD2-CE1 4.09Å; L469-F484 HydrophobicContact CD2-CG 3.43Å; L469-F484 VanDerWaalsContact CD2-CG 3.43Å; F480-F484 PolarHBondContact O-N 3.08Å; V481-F484 PolarHBondContact O-N 3.48Å; F482-F484 VanDerWaalsContact C-N 3.34Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.23Å; F484-C487 PolarHBondContact O-N 2.93Å; F484-L488 HydrophobicContact CD1-CD1 4.08Å; F484-L488 HydrophobicContact CE1-CD1 3.45Å; F484-L488 VanDerWaalsContact CE1-CD1 3.45Å; F484-L488 HydrophobicContact CE1-CG 4.18Å; F484-L488 HydrophobicContact CZ-CD1 3.83Å; F484-L488 HydrophobicContact CZ-CD2 4.49Å; F484-L488 HydrophobicContact CZ-CG 4.25Å; F484-L488 PolarHBondContact O-N 3.1Å; F484-L488 VanDerWaalsContact O-N 3.07Å |
| 485 | G | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V481 F482 F483 L488 S489 | V481-G485 PolarHBondContact O-N 2.98Å; F482-G485 PolarHBondContact O-N 3.39Å; F483-G485 VanDerWaalsContact C-N 3.33Å; F483-G485 PolarHBondContact O-N 3.06Å; G485-L488 PolarHBondContact O-N 3.43Å; G485-S489 WeakPolarHBondContact O-CB 3.48Å; G485-S489 PolarHBondContact O-N 2.73Å; G485-S489 PolarHBondContact O-OG 2.03Å |
| 486 | A | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | I399 R402 I403 F482 F483 F484 S489 F490 | I399-A486 HydrophobicContact CG2-CB 4.4Å; R402-A486 HydrophobicContact CB-CB 3.98Å; I403-A486 HydrophobicContact CG1-CB 3.92Å; F482-A486 PolarHBondContact O-N 3.32Å; F483-A486 WeakPolarHBondContact O-CB 3.3Å; F483-A486 PolarHBondContact O-N 3Å; F483-A486 VanDerWaalsContact O-N 3.15Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.23Å; A486-S489 PolarHBondContact O-N 3.43Å; A486-F490 WeakPolarHBondContact O-CB 3.41Å; A486-F490 PolarHBondContact O-N 3.06Å |
| 487 | C | 96.7 | Very high | 94.8 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 52% | 0.52 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.6 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | F483 F484 S489 F490 I491 | F483-C487 PolarHBondContact O-N 3.49Å; F483-C487 PolarHBondContact O-SG 2.97Å; F484-C487 PolarHBondContact O-N 2.93Å; C487-S489 VanDerWaalsContact C-N 3.32Å; C487-S489 PolarHBondContact O-N 3.5Å; C487-F490 WeakPolarHBondContact O-CB 3.5Å; C487-F490 PolarHBondContact O-N 3.33Å; C487-I491 WeakPolarHBondContact O-CG1 3.5Å; C487-I491 PolarHBondContact O-N 3.42Å |
| 488 | L | 94.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 175.8 | -69.7 | -179.7 | 0 | 0 | 0 | 112 | V332 F484 G485 F490 I491 G492 | V332-L488 HydrophobicContact CG2-CB 3.98Å; V332-L488 HydrophobicContact CG2-CD1 3.56Å; V332-L488 HydrophobicContact CG2-CG 4.41Å; F484-L488 HydrophobicContact CD1-CD1 4.08Å; F484-L488 HydrophobicContact CE1-CD1 3.45Å; F484-L488 VanDerWaalsContact CE1-CD1 3.45Å; F484-L488 HydrophobicContact CE1-CG 4.18Å; F484-L488 HydrophobicContact CZ-CD1 3.83Å; F484-L488 HydrophobicContact CZ-CD2 4.49Å; F484-L488 HydrophobicContact CZ-CG 4.25Å; F484-L488 PolarHBondContact O-N 3.1Å; F484-L488 VanDerWaalsContact O-N 3.07Å; G485-L488 PolarHBondContact O-N 3.43Å; L488-F490 VanDerWaalsContact C-N 3.32Å; L488-I491 PolarHBondContact O-N 3.16Å; L488-G492 PolarHBondContact O-N 2.94Å |
| 489 | S | 95 | Very high | 95.2 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -33.6 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | G485 A486 C487 G492 S493 | G485-S489 WeakPolarHBondContact O-CB 3.48Å; G485-S489 PolarHBondContact O-N 2.73Å; G485-S489 PolarHBondContact O-OG 2.03Å; A486-S489 PolarHBondContact O-N 3.43Å; C487-S489 VanDerWaalsContact C-N 3.32Å; C487-S489 PolarHBondContact O-N 3.5Å; S489-G492 PolarHBondContact O-N 3.21Å; S489-S493 PolarHBondContact O-N 3.02Å |
| 490 | F | 96.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 48% | 0.478 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68 | -42 | 173.7 | -179.1 | -101.4 | 0 | 0 | 0 | 112.3 | I399 A486 C487 L488 G492 S493 L494 | I399-F490 HydrophobicContact CD1-CB 4.02Å; I399-F490 HydrophobicContact CD1-CD2 4.26Å; A486-F490 WeakPolarHBondContact O-CB 3.41Å; A486-F490 PolarHBondContact O-N 3.06Å; C487-F490 WeakPolarHBondContact O-CB 3.5Å; C487-F490 PolarHBondContact O-N 3.33Å; L488-F490 VanDerWaalsContact C-N 3.32Å; F490-G492 PolarHBondContact O-N 2.94Å; F490-S493 PolarHBondContact O-N 3.4Å; F490-S493 VanDerWaalsContact O-N 3.1Å; F490-S493 PolarHBondContact O-OG 3.41Å; F490-L494 HydrophobicContact CD1-CD1 4.23Å; F490-L494 HydrophobicContact CD1-CG 4.5Å; F490-L494 HydrophobicContact CE1-CD1 3.75Å; F490-L494 HydrophobicContact CE1-CD2 4.42Å; F490-L494 HydrophobicContact CE1-CG 4.12Å; F490-L494 HydrophobicContact CZ-CD1 4.28Å; F490-L494 HydrophobicContact CZ-CD2 4.13Å; F490-L494 HydrophobicContact CZ-CG 4.28Å; F490-L494 PolarHBondContact O-N 3.05Å |
| 491 | I | 96.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 171.2 | -67.6 | 165.6 | 0 | 0 | 0 | 109.8 | C487 L488 S493 L494 F495 | C487-I491 WeakPolarHBondContact O-CG1 3.5Å; C487-I491 PolarHBondContact O-N 3.42Å; L488-I491 PolarHBondContact O-N 3.16Å; I491-S493 VanDerWaalsContact C-N 3.33Å; I491-S493 PolarHBondContact O-N 2.91Å; I491-L494 PolarHBondContact O-N 3.27Å; I491-F495 HydrophobicContact CG2-CD2 3.86Å; I491-F495 HydrophobicContact CG2-CE2 3.52Å; I491-F495 WeakPolarHBondContact O-CD2 3.35Å; I491-F495 PolarHBondContact O-N 3.37Å |
| 492 | G | 94.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L488 S489 F490 F495 F496 | L488-G492 PolarHBondContact O-N 2.94Å; S489-G492 PolarHBondContact O-N 3.21Å; F490-G492 PolarHBondContact O-N 2.94Å; G492-F495 PolarHBondContact O-N 3.04Å; G492-F496 WeakPolarHBondContact O-CB 3.29Å; G492-F496 PolarHBondContact O-N 3.41Å |
| 493 | S | 95.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -34.6 | 178 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | S489 F490 I491 F496 A497 | S489-S493 PolarHBondContact O-N 3.02Å; F490-S493 PolarHBondContact O-N 3.4Å; F490-S493 VanDerWaalsContact O-N 3.1Å; F490-S493 PolarHBondContact O-OG 3.41Å; I491-S493 VanDerWaalsContact C-N 3.33Å; I491-S493 PolarHBondContact O-N 2.91Å; S493-F496 PolarHBondContact O-N 2.89Å; S493-A497 VanDerWaalsContact O-CB 3.24Å; S493-A497 WeakPolarHBondContact O-CB 3.2Å; S493-A497 PolarHBondContact O-N 3.33Å |
| 494 | L | 96.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 52% | 0.518 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64 | -47.6 | 173.6 | -66.6 | 178.4 | 0 | 0 | 0 | 111.8 | F490 I491 F496 A497 F498 | F490-L494 HydrophobicContact CD1-CD1 4.23Å; F490-L494 HydrophobicContact CD1-CG 4.5Å; F490-L494 HydrophobicContact CE1-CD1 3.75Å; F490-L494 HydrophobicContact CE1-CD2 4.42Å; F490-L494 HydrophobicContact CE1-CG 4.12Å; F490-L494 HydrophobicContact CZ-CD1 4.28Å; F490-L494 HydrophobicContact CZ-CD2 4.13Å; F490-L494 HydrophobicContact CZ-CG 4.28Å; F490-L494 PolarHBondContact O-N 3.05Å; I491-L494 PolarHBondContact O-N 3.27Å; L494-F496 VanDerWaalsContact C-N 3.3Å; L494-F496 PolarHBondContact O-N 3.3Å; L494-A497 PolarHBondContact O-N 3.27Å; L494-F498 PolarHBondContact O-N 2.7Å; L494-F498 VanDerWaalsContact O-N 3.1Å |
| 495 | F | 95.2 | Very high | 94.1 | Very high | 111 Ų | 111 | 52.7 Ų | 52.7 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 176.1 | -77.2 | -62.3 | 0 | 0 | 0 | 111.8 | I321 V325 I491 G492 F498 V499 | I321-F495 HydrophobicContact CG2-CB 3.85Å; V325-F495 HydrophobicContact CG2-CB 4.33Å; I491-F495 HydrophobicContact CG2-CD2 3.86Å; I491-F495 HydrophobicContact CG2-CE2 3.52Å; I491-F495 WeakPolarHBondContact O-CD2 3.35Å; I491-F495 PolarHBondContact O-N 3.37Å; G492-F495 PolarHBondContact O-N 3.04Å; F495-F498 WeakPolarHBondContact O-CB 3.36Å; F495-F498 PolarHBondContact O-N 3.28Å; F495-V499 WeakPolarHBondContact O-CG2 3.45Å; F495-V499 PolarHBondContact O-N 2.8Å |
| 496 | F | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.8 | -27.3 | -179.5 | -144.5 | -80.9 | 0 | 0 | 0 | 112.7 | T388 V391 L392 L395 M431 F434 G492 S493 L494 V499 H500 | T388-F496 HydrophobicContact CG2-CE1 3.74Å; T388-F496 HydrophobicContact CG2-CZ 4.15Å; V391-F496 HydrophobicContact CB-CD1 3.81Å; V391-F496 HydrophobicContact CB-CE1 3.44Å; V391-F496 VanDerWaalsContact CB-CE1 3.44Å; V391-F496 HydrophobicContact CB-CE2 4.28Å; V391-F496 HydrophobicContact CB-CG 4.38Å; V391-F496 HydrophobicContact CB-CZ 3.69Å; V391-F496 HydrophobicContact CG1-CB 4.42Å; V391-F496 HydrophobicContact CG1-CD1 3.44Å; V391-F496 VanDerWaalsContact CG1-CD1 3.44Å; V391-F496 HydrophobicContact CG1-CD2 3.61Å; V391-F496 HydrophobicContact CG1-CE1 3.47Å; V391-F496 VanDerWaalsContact CG1-CE1 3.47Å; V391-F496 HydrophobicContact CG1-CE2 3.63Å; V391-F496 HydrophobicContact CG1-CG 3.52Å; V391-F496 HydrophobicContact CG1-CZ 3.55Å; V391-F496 HydrophobicContact CG2-CE1 3.98Å; V391-F496 HydrophobicContact CG2-CE2 4.36Å; V391-F496 HydrophobicContact CG2-CZ 3.74Å; L392-F496 HydrophobicContact CD2-CB 4.17Å; L392-F496 HydrophobicContact CD2-CD1 4.49Å; L392-F496 HydrophobicContact CG-CD1 4.19Å; L395-F496 HydrophobicContact CD1-CB 4.03Å; L395-F496 HydrophobicContact CD1-CG 4.5Å; M431-F496 HydrophobicContact CE-CE2 4.41Å; F434-F496 HydrophobicContact CD1-CE2 4.42Å; F434-F496 HydrophobicContact CD1-CZ 4Å; F434-F496 HydrophobicContact CE1-CE2 4.45Å; F434-F496 HydrophobicContact CE1-CZ 4.12Å; F434-F496 HydrophobicContact CG-CZ 4.45Å; G492-F496 WeakPolarHBondContact O-CB 3.29Å; G492-F496 PolarHBondContact O-N 3.41Å; S493-F496 PolarHBondContact O-N 2.89Å; L494-F496 VanDerWaalsContact C-N 3.3Å; L494-F496 PolarHBondContact O-N 3.3Å; F496-V499 PolarHBondContact O-N 2.96Å; F496-H500 PolarHBondContact O-N 3.14Å |
| 497 | A | 95.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L392 S493 L494 V499 H500 F501 | L392-A497 HydrophobicContact CD2-CB 4.07Å; S493-A497 VanDerWaalsContact O-CB 3.24Å; S493-A497 WeakPolarHBondContact O-CB 3.2Å; S493-A497 PolarHBondContact O-N 3.33Å; L494-A497 PolarHBondContact O-N 3.27Å; A497-V499 PolarHBondContact O-N 3.4Å; A497-H500 WeakPolarHBondContact O-CB 3.36Å; A497-H500 PolarHBondContact O-N 3Å; A497-F501 HydrophobicContact CB-CE2 4.5Å; A497-F501 WeakPolarHBondContact O-CD2 3.46Å; A497-F501 PolarHBondContact O-N 3.47Å |
| 498 | F | 95 | Very high | 92.3 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56 | -48.3 | 171.5 | 170.3 | -99.6 | 0 | 0 | 0 | 111.8 | L317 I321 L494 F495 H500 F501 E502 | L317-F498 HydrophobicContact CD2-CE1 4.12Å; I321-F498 HydrophobicContact CD1-CD1 4.16Å; I321-F498 HydrophobicContact CD1-CE1 4.41Å; L494-F498 PolarHBondContact O-N 2.7Å; L494-F498 VanDerWaalsContact O-N 3.1Å; F495-F498 WeakPolarHBondContact O-CB 3.36Å; F495-F498 PolarHBondContact O-N 3.28Å; F498-H500 VanDerWaalsContact C-N 3.32Å; F498-H500 PolarHBondContact O-N 2.97Å; F498-F501 PolarHBondContact O-N 2.94Å; F498-E502 HydrophobicContact CD2-CG 4.2Å; F498-E502 HydrophobicContact CE1-CG 4.21Å; F498-E502 HydrophobicContact CE2-CG 3.68Å; F498-E502 HydrophobicContact CZ-CG 3.69Å; F498-E502 PolarHBondContact O-N 3.31Å |
| 499 | V | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | F318 I321 T388 F434 F495 F496 A497 F501 E502 Q503 | F318-V499 HydrophobicContact CB-CG1 4.37Å; F318-V499 HydrophobicContact CD1-CB 4.29Å; F318-V499 HydrophobicContact CD1-CG1 3.93Å; F318-V499 HydrophobicContact CD1-CG2 3.8Å; F318-V499 HydrophobicContact CE1-CG1 4.32Å; F318-V499 HydrophobicContact CE1-CG2 4.31Å; F318-V499 HydrophobicContact CG-CG1 4.03Å; I321-V499 HydrophobicContact CB-CG2 4.11Å; I321-V499 HydrophobicContact CD1-CG2 3.71Å; I321-V499 HydrophobicContact CG2-CG2 3.7Å; T388-V499 HydrophobicContact CG2-CG1 4.36Å; F434-V499 HydrophobicContact CE1-CG1 4.1Å; F434-V499 HydrophobicContact CZ-CG1 3.62Å; F495-V499 WeakPolarHBondContact O-CG2 3.45Å; F495-V499 PolarHBondContact O-N 2.8Å; F496-V499 PolarHBondContact O-N 2.96Å; A497-V499 PolarHBondContact O-N 3.4Å; V499-F501 PolarHBondContact O-N 3.09Å; V499-E502 PolarHBondContact O-N 3.12Å; V499-Q503 VanDerWaalsContact O-CB 3.25Å; V499-Q503 WeakPolarHBondContact O-CB 3.36Å; V499-Q503 PolarHBondContact O-N 3.38Å |
| 500 | H | 93.8 | Very high | 91 | Very high | 37 Ų | 37 | 65.2 Ų | 65.2 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 179.2 | -179.8 | 73.4 | 0 | 0 | 0 | 112.3 | T388 L392 F496 A497 F498 K504 | T388-H500 PolarHBondContact OG1-ND1 2.86Å; L392-H500 HydrophobicContact CD1-CB 3.7Å; F496-H500 PolarHBondContact O-N 3.14Å; A497-H500 WeakPolarHBondContact O-CB 3.36Å; A497-H500 PolarHBondContact O-N 3Å; F498-H500 VanDerWaalsContact C-N 3.32Å; F498-H500 PolarHBondContact O-N 2.97Å; H500-K504 VanDerWaalsContact O-CB 3.31Å; H500-K504 WeakPolarHBondContact O-CB 3.14Å; H500-K504 PolarHBondContact O-N 3.4Å |
| 501 | F | 93.4 | Very high | 90 | Very high | 125 Ų | 125 | 66 Ų | 66 | 55% | 0.548 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 179.1 | -74.9 | -63.1 | 0 | 0 | 0 | 112.3 | A497 F498 V499 K504 K505 | A497-F501 HydrophobicContact CB-CE2 4.5Å; A497-F501 WeakPolarHBondContact O-CD2 3.46Å; A497-F501 PolarHBondContact O-N 3.47Å; F498-F501 PolarHBondContact O-N 2.94Å; V499-F501 PolarHBondContact O-N 3.09Å; F501-K504 PolarHBondContact O-N 2.93Å; F501-K505 WeakPolarHBondContact O-CG 3.46Å; F501-K505 PolarHBondContact O-N 3.25Å |
| 502 | E | 92.5 | Very high | 88.9 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178.5 | -73.5 | -57.1 | 128.9 | 0 | 0 | 111.9 | F318 F498 V499 K504 K505 Y506 | F318-E502 HydrophobicContact CE1-CB 4.11Å; F318-E502 HydrophobicContact CZ-CB 3.75Å; F498-E502 HydrophobicContact CD2-CG 4.2Å; F498-E502 HydrophobicContact CE1-CG 4.21Å; F498-E502 HydrophobicContact CE2-CG 3.68Å; F498-E502 HydrophobicContact CZ-CG 3.69Å; F498-E502 PolarHBondContact O-N 3.31Å; V499-E502 PolarHBondContact O-N 3.12Å; E502-K504 VanDerWaalsContact C-N 3.25Å; E502-K504 PolarHBondContact O-N 3.26Å; E502-K505 PolarHBondContact O-N 2.75Å; E502-K505 IonicContact OE1-NZ 2.81Å; E502-K505 PolarHBondContact OE1-NZ 2.88Å; E502-Y506 WeakPolarHBondContact O-CB 3.42Å; E502-Y506 PolarHBondContact O-N 3.39Å |
| 503 | Q | 88.8 | Confident | 87.9 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 13% | 0.131 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.7 | -25.9 | 177.2 | -149.3 | -158.2 | 6 | 0 | 0 | 112.5 | R386 V499 L507 | R386-Q503 VanDerWaalsContact NH2-NE2 3.12Å; R386-Q503 PolarHBondContact NH2-O 3.01Å; V499-Q503 VanDerWaalsContact O-CB 3.25Å; V499-Q503 WeakPolarHBondContact O-CB 3.36Å; V499-Q503 PolarHBondContact O-N 3.38Å; Q503-L507 WeakPolarHBondContact O-CD1 3.41Å |
| 504 | K | 88 | Confident | 86.7 | Confident | 99 Ų | 99 | 76.7 Ų | 76.7 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.4 | -46 | 172.4 | -173.3 | 177.9 | 179.9 | -179.4 | 0 | 111.1 | H500 F501 E502 Y506 L507 Q508 | H500-K504 VanDerWaalsContact O-CB 3.31Å; H500-K504 WeakPolarHBondContact O-CB 3.14Å; H500-K504 PolarHBondContact O-N 3.4Å; F501-K504 PolarHBondContact O-N 2.93Å; E502-K504 VanDerWaalsContact C-N 3.25Å; E502-K504 PolarHBondContact O-N 3.26Å; K504-Y506 VanDerWaalsContact C-N 3.35Å; K504-Y506 PolarHBondContact O-N 3.32Å; K504-L507 PolarHBondContact O-N 3.5Å; K504-Q508 WeakPolarHBondContact O-CG 3.45Å; K504-Q508 PolarHBondContact O-N 2.94Å; K504-Q508 VanDerWaalsContact O-N 3.16Å |
| 505 | K | 88.6 | Confident | 85.6 | Confident | 117 Ų | 117 | 80 Ų | 80 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 176.3 | -72.7 | 176.5 | -171.6 | 168.8 | 0 | 112 | F501 E502 L507 Q508 S509 | F501-K505 WeakPolarHBondContact O-CG 3.46Å; F501-K505 PolarHBondContact O-N 3.25Å; E502-K505 PolarHBondContact O-N 2.75Å; E502-K505 IonicContact OE1-NZ 2.81Å; E502-K505 PolarHBondContact OE1-NZ 2.88Å; K505-L507 PolarHBondContact O-N 2.88Å; K505-Q508 PolarHBondContact O-N 3.4Å; K505-S509 PolarHBondContact O-N 3.24Å |
| 506 | Y | 84.4 | Confident | 84 | Confident | 98 Ų | 98 | 85 Ų | 85 | 38% | 0.384 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | -179.3 | 178.6 | -103 | 0 | 0 | 0 | 112.2 | D313 E502 K504 Q508 S509 N510 | D313-Y506 HydrophobicContact CB-CE2 4.49Å; D313-Y506 WeakPolarHBondContact OD1-CE2 3.27Å; D313-Y506 PolarHBondContact OD2-OH 3.26Å; E502-Y506 WeakPolarHBondContact O-CB 3.42Å; E502-Y506 PolarHBondContact O-N 3.39Å; K504-Y506 VanDerWaalsContact C-N 3.35Å; K504-Y506 PolarHBondContact O-N 3.32Å; Y506-Q508 PolarHBondContact O-N 3.2Å; Y506-S509 WeakPolarHBondContact O-CB 3.38Å; Y506-S509 PolarHBondContact O-N 3.43Å; Y506-S509 VanDerWaalsContact O-N 3.16Å; Y506-N510 VanDerWaalsContact CE1-ND2 3.33Å; Y506-N510 WeakPolarHBondContact CE1-ND2 3.33Å; Y506-N510 VanDerWaalsContact CZ-ND2 3.26Å; Y506-N510 PolarHBondContact O-N 3.38Å; Y506-N510 PolarHBondContact OH-ND2 2.97Å |
| 507 | L | 81.3 | Confident | 82.4 | Confident | 70 Ų | 70 | 94 Ų | 94 | 37% | 0.366 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 179.8 | -76.3 | 160.2 | 0 | 0 | 0 | 113 | Q503 K504 K505 S509 N510 E511 | Q503-L507 WeakPolarHBondContact O-CD1 3.41Å; K504-L507 PolarHBondContact O-N 3.5Å; K505-L507 PolarHBondContact O-N 2.88Å; L507-S509 PolarHBondContact O-N 3.35Å; L507-N510 PolarHBondContact O-N 3.1Å; L507-E511 PolarHBondContact O-N 2.97Å |
| 508 | Q | 84.1 | Confident | 81.8 | Confident | 95 Ų | 95 | 97.6 Ų | 97.6 | 44% | 0.444 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -31 | 173.6 | -71.5 | -179.7 | -25.5 | 0 | 0 | 112.3 | K504 K505 Y506 K512 | K504-Q508 WeakPolarHBondContact O-CG 3.45Å; K504-Q508 PolarHBondContact O-N 2.94Å; K504-Q508 VanDerWaalsContact O-N 3.16Å; K505-Q508 PolarHBondContact O-N 3.4Å; Y506-Q508 PolarHBondContact O-N 3.2Å; Q508-K512 WeakPolarHBondContact O-CG 3.32Å; Q508-K512 PolarHBondContact O-N 3.45Å |
| 509 | S | 82.3 | Confident | 81.1 | Confident | 67 Ų | 67 | 97.6 Ų | 97.6 | 47% | 0.469 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 173.9 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | K505 Y506 L507 T513 | K505-S509 PolarHBondContact O-N 3.24Å; Y506-S509 WeakPolarHBondContact O-CB 3.38Å; Y506-S509 PolarHBondContact O-N 3.43Å; Y506-S509 VanDerWaalsContact O-N 3.16Å; L507-S509 PolarHBondContact O-N 3.35Å; S509-T513 PolarHBondContact O-N 3.14Å; S509-T513 PolarHBondContact O-OG1 3.41Å |
| 510 | N | 79.5 | Confident | 80.3 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 31% | 0.305 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 178.9 | -76 | 2.6 | 0 | 0 | 0 | 112 | Y506 L507 K512 T513 D514 | Y506-N510 VanDerWaalsContact CE1-ND2 3.33Å; Y506-N510 WeakPolarHBondContact CE1-ND2 3.33Å; Y506-N510 VanDerWaalsContact CZ-ND2 3.26Å; Y506-N510 PolarHBondContact O-N 3.38Å; Y506-N510 PolarHBondContact OH-ND2 2.97Å; L507-N510 PolarHBondContact O-N 3.1Å; N510-K512 VanDerWaalsContact C-N 3.28Å; N510-K512 PolarHBondContact O-N 3.03Å; N510-T513 PolarHBondContact O-N 3.05Å; N510-D514 PolarHBondContact O-N 3.31Å |
| 511 | E | 77.2 | Confident | 79.5 | Confident | 126 Ų | 126 | 106.9 Ų | 106.9 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.7 | -43.5 | 175 | -78.9 | 176.1 | 164.6 | 0 | 0 | 111.6 | L507 T513 D514 E515 | L507-E511 PolarHBondContact O-N 2.97Å; E511-T513 VanDerWaalsContact C-N 3.25Å; E511-T513 PolarHBondContact O-N 3.47Å; E511-D514 PolarHBondContact O-N 3.37Å; E511-E515 WeakPolarHBondContact O-CG 3.48Å; E511-E515 PolarHBondContact O-N 3.06Å |
| 512 | K | 73 | Confident | 78.7 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.7 | -23.3 | 176.4 | -74.7 | 179.7 | -179.8 | -176.6 | 0 | 114.3 | Q508 N510 R516 | Q508-K512 WeakPolarHBondContact O-CG 3.32Å; Q508-K512 PolarHBondContact O-N 3.45Å; N510-K512 VanDerWaalsContact C-N 3.28Å; N510-K512 PolarHBondContact O-N 3.03Å; K512-R516 VanDerWaalsContact O-CG 3.3Å; K512-R516 WeakPolarHBondContact O-CG 3.45Å |
| 513 | T | 73.9 | Confident | 77.8 | Confident | 69 Ų | 69 | 109.9 Ų | 109.9 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -82.8 | -41.3 | 178.9 | -51.2 | 0 | 0 | 0 | 0 | 109.7 | S509 N510 E511 E515 R516 L517 | S509-T513 PolarHBondContact O-N 3.14Å; S509-T513 PolarHBondContact O-OG1 3.41Å; N510-T513 PolarHBondContact O-N 3.05Å; E511-T513 VanDerWaalsContact C-N 3.25Å; E511-T513 PolarHBondContact O-N 3.47Å; T513-E515 VanDerWaalsContact C-N 3.34Å; T513-R516 PolarHBondContact O-N 2.9Å; T513-R516 VanDerWaalsContact O-N 3.12Å; T513-L517 PolarHBondContact O-N 3.2Å |
| 514 | D | 70.6 | Confident | 77 | Confident | 116 Ų | 116 | 115.8 Ų | 115.8 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -34.8 | 174.2 | -74.4 | -18.7 | 0 | 0 | 0 | 112.2 | N510 E511 R516 L517 | N510-D514 PolarHBondContact O-N 3.31Å; E511-D514 PolarHBondContact O-N 3.37Å; D514-R516 PolarHBondContact O-N 2.91Å; D514-L517 PolarHBondContact O-N 2.97Å |
| 515 | E | 70.9 | Confident | 76.1 | Confident | 167 Ų | 167 | 117.1 Ų | 117.1 | 78% | 0.78 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -16.9 | 173.2 | -77.2 | -176.8 | 168.6 | 0 | 0 | 114 | E511 T513 | E511-E515 WeakPolarHBondContact O-CG 3.48Å; E511-E515 PolarHBondContact O-N 3.06Å; T513-E515 VanDerWaalsContact C-N 3.34Å |
| 516 | R | 62.7 | Low | 75.1 | Confident | 217 Ų | 217 | 117.1 Ų | 117.1 | 82% | 0.819 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -17.6 | 178.9 | -77.2 | 178.9 | -173.6 | -171.9 | 1.6 | 113.4 | K512 T513 D514 | K512-R516 VanDerWaalsContact O-CG 3.3Å; K512-R516 WeakPolarHBondContact O-CG 3.45Å; T513-R516 PolarHBondContact O-N 2.9Å; T513-R516 VanDerWaalsContact O-N 3.12Å; D514-R516 PolarHBondContact O-N 2.91Å |
| 517 | L | 61 | Low | 74.2 | Confident | 190 Ų | 190 | 118.8 Ų | 118.8 | 100% | 0.995 | 58% | 0.581 | S | S | * | * | trans | -87.4 | 0 | 174.3 | -72.1 | 168.1 | 0 | 0 | 0 | 109.5 | T513 D514 | T513-L517 PolarHBondContact O-N 3.2Å; D514-L517 PolarHBondContact O-N 2.97Å |
Retrieved 517 of 517 residues in 358.1 ms
(Link to these results)