| 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 | 48.5 | Very low | 58.1 | Low | 204 Ų | 204 | 96.5 Ų | 96.5 | 100% | 1.005 | 53% | 0.529 | S | S | * | . | 0 | -47.4 | 0 | -81.7 | 176.8 | 164.4 | 0 | 0 | 111.9 | S3 N4 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.34Å; M1-N4 PolarHBondContact O-N 3.14Å | |||
| 2 | N | 49.9 | Very low | 59.8 | Low | 138 Ų | 138 | 88.4 Ų | 88.4 | 74% | 0.738 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -30.5 | 178 | -68.9 | 1.2 | 0 | 0 | 0 | 115.1 | N4 V5 T6 | N2-N4 PolarHBondContact O-N 2.85Å; N2-V5 PolarHBondContact O-N 2.87Å; N2-T6 PolarHBondContact O-N 3.48Å; N2-T6 VanDerWaalsContact O-N 3.14Å; N2-T6 PolarHBondContact O-OG1 2.93Å; N2-T6 VanDerWaalsContact O-OG1 3.1Å |
| 3 | S | 53.3 | Low | 60.5 | Low | 79 Ų | 79 | 83.4 Ų | 83.4 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -35 | -179.5 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | M1 T6 A7 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.34Å; S3-T6 PolarHBondContact O-OG1 2.78Å; S3-T6 VanDerWaalsContact O-OG1 3.05Å; S3-A7 WeakPolarHBondContact O-CB 3.19Å; S3-A7 PolarHBondContact O-N 3.27Å |
| 4 | N | 57.4 | Low | 61.3 | Low | 124 Ų | 124 | 85.1 Ų | 85.1 | 66% | 0.663 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -77.4 | -29.9 | 179.5 | -72.4 | 7.2 | 0 | 0 | 0 | 111.6 | M1 N2 K8 | M1-N4 PolarHBondContact O-N 3.14Å; N2-N4 PolarHBondContact O-N 2.85Å; N4-K8 PolarHBondContact O-N 2.59Å; N4-K8 VanDerWaalsContact O-N 3.15Å |
| 5 | V | 54.6 | Low | 61.9 | Low | 70 Ų | 70 | 85.1 Ų | 85.1 | 42% | 0.424 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.4 | -43.5 | 177.8 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | N2 F9 | N2-V5 PolarHBondContact O-N 2.87Å; V5-F9 WeakPolarHBondContact O-CB 3.27Å; V5-F9 PolarHBondContact O-N 2.97Å |
| 6 | T | 58 | Low | 62.5 | Low | 72 Ų | 72 | 81 Ų | 81 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 174.5 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | N2 S3 F9 D10 | N2-T6 PolarHBondContact O-N 3.48Å; N2-T6 VanDerWaalsContact O-N 3.14Å; N2-T6 PolarHBondContact O-OG1 2.93Å; N2-T6 VanDerWaalsContact O-OG1 3.1Å; S3-T6 PolarHBondContact O-OG1 2.78Å; S3-T6 VanDerWaalsContact O-OG1 3.05Å; T6-F9 WeakPolarHBondContact O-CB 3.41Å; T6-F9 PolarHBondContact O-N 3.38Å; T6-D10 PolarHBondContact O-N 3.23Å |
| 7 | A | 60.5 | Low | 63.3 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S3 Q11 | S3-A7 WeakPolarHBondContact O-CB 3.19Å; S3-A7 PolarHBondContact O-N 3.27Å; A7-Q11 WeakPolarHBondContact O-CB 3.28Å; A7-Q11 PolarHBondContact O-N 2.88Å; A7-Q11 VanDerWaalsContact O-N 3.07Å |
| 8 | K | 61.4 | Low | 64.3 | Low | 61 Ų | 61 | 81.3 Ų | 81.3 | 27% | 0.265 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.4 | -30.9 | 175.6 | -165.4 | 177.1 | 178.8 | -171.8 | 0 | 111.9 | N4 Q11 C12 E29 L739 | N4-K8 PolarHBondContact O-N 2.59Å; N4-K8 VanDerWaalsContact O-N 3.15Å; K8-Q11 PolarHBondContact O-N 2.71Å; K8-C12 PolarHBondContact O-N 2.82Å; K8-C12 PolarHBondContact O-SG 2.83Å; K8-E29 IonicContact NZ-OE1 2.95Å; K8-E29 PolarHBondContact NZ-OE1 3.48Å; K8-L739 PolarHBondContact NZ-O 3Å |
| 9 | F | 60 | Low | 65.3 | Low | 27 Ų | 27 | 78.6 Ų | 78.6 | 12% | 0.118 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58 | -55.8 | 170.5 | 173 | -89.1 | 0 | 0 | 0 | 110.7 | V5 T6 Q11 C12 S13 E24 S25 | V5-F9 WeakPolarHBondContact O-CB 3.27Å; V5-F9 PolarHBondContact O-N 2.97Å; T6-F9 WeakPolarHBondContact O-CB 3.41Å; T6-F9 PolarHBondContact O-N 3.38Å; F9-Q11 PolarHBondContact O-N 2.93Å; F9-C12 PolarHBondContact O-N 3.17Å; F9-S13 WeakPolarHBondContact O-CB 3.41Å; F9-S13 PolarHBondContact O-N 2.79Å; F9-S13 PolarHBondContact O-OG 2.79Å; F9-E24 HydrophobicContact CE2-CB 4.05Å; F9-S25 VanDerWaalsContact CE2-N 3.33Å |
| 10 | D | 61.5 | Low | 65.9 | Low | 98 Ų | 98 | 76.6 Ų | 76.6 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 180 | -70.5 | -22.6 | 0 | 0 | 0 | 110.9 | T6 S13 T14 | T6-D10 PolarHBondContact O-N 3.23Å; D10-S13 PolarHBondContact O-OG 2.87Å; D10-T14 WeakPolarHBondContact O-CG2 3.03Å; D10-T14 PolarHBondContact O-N 2.89Å; D10-T14 PolarHBondContact O-OG1 3.47Å |
| 11 | Q | 73.8 | Confident | 66.6 | Low | 131 Ų | 131 | 79.5 Ų | 79.5 | 61% | 0.612 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | -179.7 | -171.9 | 175.4 | 6 | 0 | 0 | 113.2 | A7 K8 F9 T14 | A7-Q11 WeakPolarHBondContact O-CB 3.28Å; A7-Q11 PolarHBondContact O-N 2.88Å; A7-Q11 VanDerWaalsContact O-N 3.07Å; K8-Q11 PolarHBondContact O-N 2.71Å; F9-Q11 PolarHBondContact O-N 2.93Å; Q11-T14 PolarHBondContact O-OG1 3.38Å; Q11-T14 VanDerWaalsContact O-OG1 3.06Å |
| 12 | C | 78.3 | Confident | 68.2 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -84.5 | -27.9 | -177.5 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | K8 F9 T14 D15 C738 | K8-C12 PolarHBondContact O-N 2.82Å; K8-C12 PolarHBondContact O-SG 2.83Å; F9-C12 PolarHBondContact O-N 3.17Å; C12-T14 VanDerWaalsContact C-N 3.28Å; C12-T14 PolarHBondContact O-N 3.47Å; C12-D15 PolarHBondContact O-N 3Å; C12-C738 WeakPolarHBondContact CA-SG 3.48Å; C12-C738 HydrophobicContact CB-CB 3.65Å; C12-C738 WeakPolarHBondContact CB-SG 3.29Å; C12-C738 WeakPolarHBondContact SG-CB 3.48Å; C12-C738 CovalentContact SG-SG 2.04Å; C12-C738 PolarHBondContact SG-SG 3.04Å |
| 13 | S | 69.7 | Low | 69.6 | Low | 23 Ų | 23 | 73.2 Ų | 73.2 | 16% | 0.161 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.9 | -23.8 | -180 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | F9 D10 D15 | F9-S13 WeakPolarHBondContact O-CB 3.41Å; F9-S13 PolarHBondContact O-N 2.79Å; F9-S13 PolarHBondContact O-OG 2.79Å; D10-S13 PolarHBondContact O-OG 2.87Å; S13-D15 VanDerWaalsContact C-N 3.28Å; S13-D15 PolarHBondContact O-N 3.47Å |
| 14 | T | 71.8 | Confident | 71 | Confident | 107 Ų | 107 | 70.1 Ų | 70.1 | 66% | 0.656 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.7 | 178.4 | 49.7 | 0 | 0 | 0 | 0 | 114 | D10 Q11 C12 G16 | D10-T14 WeakPolarHBondContact O-CG2 3.03Å; D10-T14 PolarHBondContact O-N 2.89Å; D10-T14 PolarHBondContact O-OG1 3.47Å; Q11-T14 PolarHBondContact O-OG1 3.38Å; Q11-T14 VanDerWaalsContact O-OG1 3.06Å; C12-T14 VanDerWaalsContact C-N 3.28Å; C12-T14 PolarHBondContact O-N 3.47Å; T14-G16 VanDerWaalsContact C-N 3.31Å |
| 15 | D | 69.7 | Low | 71.8 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.7 | -178.5 | -69.8 | -14 | 0 | 0 | 0 | 112.9 | C12 S13 | C12-D15 PolarHBondContact O-N 3Å; S13-D15 VanDerWaalsContact C-N 3.28Å; S13-D15 PolarHBondContact O-N 3.47Å |
| 16 | G | 71.1 | Confident | 72.9 | Confident | 19 Ų | 19 | 67 Ų | 67 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | trans | -90.9 | 145.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T14 D731 | T14-G16 VanDerWaalsContact C-N 3.31Å; G16-D731 WeakPolarHBondContact CA-OD1 3.12Å | ||
| 17 | L | 76.6 | Confident | 74.2 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -82.4 | -33.8 | 173.3 | -174.5 | 67.1 | 0 | 0 | 0 | 112.5 | I115 D731 | L17-I115 HydrophobicContact CD2-CG2 4.1Å; L17-D731 WeakPolarHBondContact CB-OD1 3.47Å; L17-D731 PolarHBondContact N-OD1 3.24Å; L17-D731 PolarHBondContact N-OD2 3.19Å |
| 18 | I | 81.1 | Confident | 75.4 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 33% | 0.333 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -125 | -41.7 | -173.2 | -55.9 | 174.7 | 0 | 0 | 0 | 111.2 | A727 I728 D731 | I18-A727 HydrophobicContact CD1-CB 3.84Å; I18-I728 HydrophobicContact CD1-CG1 4.39Å; I18-D731 VanDerWaalsContact CA-OD2 3.31Å; I18-D731 WeakPolarHBondContact CA-OD2 3.04Å; I18-D731 VanDerWaalsContact CB-OD2 3.3Å; I18-D731 WeakPolarHBondContact CB-OD2 3.27Å; I18-D731 PolarHBondContact N-OD2 3.25Å |
| 19 | L | 83.4 | Confident | 76.4 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | trans | -92.4 | 151.5 | 178.8 | -63.9 | 175.5 | 0 | 0 | 0 | 111.7 | L21 Y36 I728 D731 L732 I735 | L19-L21 HydrophobicContact CD2-CD1 4.1Å; L19-L21 HydrophobicContact CD2-CG 3.97Å; L19-Y36 HydrophobicContact CD1-CE1 4.32Å; L19-I728 HydrophobicContact CD1-CG2 4.29Å; L19-D731 HydrophobicContact CB-CB 4.05Å; L19-D731 HydrophobicContact CD1-CB 4.11Å; L19-D731 HydrophobicContact CG-CB 4.25Å; L19-D731 PolarHBondContact N-OD2 3.25Å; L19-L732 HydrophobicContact CD1-CD2 3.47Å; L19-L732 VanDerWaalsContact CD1-CD2 3.47Å; L19-L732 HydrophobicContact CD1-CG 3.64Å; L19-I735 HydrophobicContact CB-CD1 3.86Å | ||
| 20 | P | 77.1 | Confident | 77.8 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 25% | 0.247 | 42% | 0.416 | C | S | . | . | cis | -79.6 | 144.1 | 1 | 30.8 | -34.4 | 0 | 0 | 0 | 113.8 | E24 | P20-E24 HydrophobicContact CB-CG 4.5Š| ||
| 21 | L | 80.1 | Confident | 79.1 | Confident | 139 Ų | 139 | 69.9 Ų | 69.9 | 73% | 0.728 | 41% | 0.412 | S | S | * | . | trans | -88.9 | -17.2 | 174.9 | -71.5 | 169.6 | 0 | 0 | 0 | 113.6 | L19 | L19-L21 HydrophobicContact CD2-CD1 4.1Å; L19-L21 HydrophobicContact CD2-CG 3.97Å | ||
| 22 | V | 82.1 | Confident | 79.8 | Confident | 86 Ų | 86 | 64 Ų | 64 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -122.4 | 153 | -179.9 | -65.7 | 0 | 0 | 0 | 0 | 109.4 | E24 W27 | V22-E24 HydrophobicContact CG2-CG 3.93Å; V22-E24 PolarHBondContact O-N 2.99Å; V22-E24 VanDerWaalsContact O-N 3.14Å; V22-W27 HydrophobicContact CG2-CH2 4.07Å; V22-W27 HydrophobicContact CG2-CZ2 4.47Å |
| 23 | D | 79.6 | Confident | 80.4 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 66% | 0.658 | 39% | 0.39 | S | S | * | . | trans | -73 | 106.4 | 173.7 | -176 | 6.7 | 0 | 0 | 0 | 109.9 | S25 | D23-S25 WeakPolarHBondContact OD1-CB 3.35Å; D23-S25 PolarHBondContact OD1-N 3.11Å; D23-S25 PolarHBondContact OD1-OG 2.92Å; D23-S25 PolarHBondContact OD2-OG 3.27Å | ||
| 24 | E | 82.5 | Confident | 81.5 | Confident | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.065 | 41% | 0.409 | C | S | . | . | trans | -99.6 | 8.9 | 179.5 | -51.1 | 170.4 | -174.9 | 0 | 0 | 112.5 | F9 P20 V22 G26 W27 R32 Y36 | F9-E24 HydrophobicContact CE2-CB 4.05Å; P20-E24 HydrophobicContact CB-CG 4.5Å; V22-E24 HydrophobicContact CG2-CG 3.93Å; V22-E24 PolarHBondContact O-N 2.99Å; V22-E24 VanDerWaalsContact O-N 3.14Å; E24-G26 PolarHBondContact O-N 3.41Å; E24-G26 VanDerWaalsContact O-N 3.08Å; E24-W27 HydrophobicContact CB-CD2 4.05Å; E24-W27 HydrophobicContact CB-CE3 3.94Å; E24-W27 HydrophobicContact CB-CG 4.37Å; E24-W27 HydrophobicContact CB-CZ3 4.41Å; E24-W27 HydrophobicContact CG-CD2 4.27Å; E24-W27 HydrophobicContact CG-CE3 3.82Å; E24-W27 HydrophobicContact CG-CH2 4.21Å; E24-W27 HydrophobicContact CG-CZ3 3.78Å; E24-W27 WeakPolarHBondContact O-CB 3.46Å; E24-W27 PolarHBondContact O-N 2.69Å; E24-R32 HydrophobicContact CB-CG 4.45Å; E24-R32 IonicContact OE2-CZ 3.76Å; E24-R32 IonicContact OE2-NE 3.16Å; E24-R32 PolarHBondContact OE2-NE 3.24Å; E24-R32 IonicContact OE2-NH2 3.7Å; E24-Y36 VanDerWaalsContact CD-OH 3.25Å; E24-Y36 PolarHBondContact OE1-OH 2.93Å; E24-Y36 WeakPolarHBondContact OE2-CE2 3.42Å; E24-Y36 PolarHBondContact OE2-OH 3.16Å | ||
| 25 | S | 73.8 | Confident | 82.5 | Confident | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.9 | -175.2 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | F9 D23 | F9-S25 VanDerWaalsContact CE2-N 3.33Å; D23-S25 WeakPolarHBondContact OD1-CB 3.35Å; D23-S25 PolarHBondContact OD1-N 3.11Å; D23-S25 PolarHBondContact OD1-OG 2.92Å; D23-S25 PolarHBondContact OD2-OG 3.27Å |
| 26 | G | 78.8 | Confident | 83.6 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 74% | 0.742 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | E24 | E24-G26 PolarHBondContact O-N 3.41Å; E24-G26 VanDerWaalsContact O-N 3.08Å |
| 27 | W | 84.3 | Confident | 84.7 | Confident | 111 Ų | 111 | 65.4 Ų | 65.4 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -88 | 147.6 | -175.2 | -63.1 | 2.3 | 0 | 0 | 0 | 111.8 | V22 E24 R32 L35 | V22-W27 HydrophobicContact CG2-CH2 4.07Å; V22-W27 HydrophobicContact CG2-CZ2 4.47Å; E24-W27 HydrophobicContact CB-CD2 4.05Å; E24-W27 HydrophobicContact CB-CE3 3.94Å; E24-W27 HydrophobicContact CB-CG 4.37Å; E24-W27 HydrophobicContact CB-CZ3 4.41Å; E24-W27 HydrophobicContact CG-CD2 4.27Å; E24-W27 HydrophobicContact CG-CE3 3.82Å; E24-W27 HydrophobicContact CG-CH2 4.21Å; E24-W27 HydrophobicContact CG-CZ3 3.78Å; E24-W27 WeakPolarHBondContact O-CB 3.46Å; E24-W27 PolarHBondContact O-N 2.69Å; W27-R32 HydrophobicContact CB-CG 3.76Å; W27-R32 HydrophobicContact CE3-CG 4.1Å; W27-L35 HydrophobicContact CE3-CD1 3.8Å; W27-L35 HydrophobicContact CH2-CD1 4.3Å; W27-L35 HydrophobicContact CZ3-CD1 3.46Å; W27-L35 VanDerWaalsContact CZ3-CD1 3.46Å |
| 28 | S | 86.3 | Confident | 85.5 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | trans | -64.9 | 143.6 | 174.7 | 90.7 | 0 | 0 | 0 | 0 | 110.8 | G30 T31 R32 | S28-G30 VanDerWaalsContact C-N 3.26Å; S28-G30 PolarHBondContact O-N 2.89Å; S28-T31 WeakPolarHBondContact O-CB 3.25Å; S28-T31 PolarHBondContact O-N 2.92Å; S28-T31 WeakPolarHBondContact OG-CB 3.2Å; S28-T31 PolarHBondContact OG-N 3.38Å; S28-T31 VanDerWaalsContact OG-N 3.15Å; S28-T31 PolarHBondContact OG-OG1 2.88Å; S28-R32 PolarHBondContact O-N 3.09Å | ||
| 29 | E | 83.8 | Confident | 86.2 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.1 | -42.6 | 179.7 | -174.6 | 179.8 | 153.2 | 0 | 0 | 112.1 | K8 T31 R32 A33 L739 | K8-E29 IonicContact NZ-OE1 2.95Å; K8-E29 PolarHBondContact NZ-OE1 3.48Å; E29-T31 PolarHBondContact O-N 2.85Å; E29-R32 PolarHBondContact O-N 3.41Å; E29-A33 WeakPolarHBondContact O-CB 3.03Å; E29-A33 PolarHBondContact O-N 2.92Å; E29-L739 HydrophobicContact CG-CD2 4.19Å; E29-L739 VanDerWaalsContact OE1-O 3.11Å |
| 30 | G | 87.7 | Confident | 86.7 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S28 A33 V34 | S28-G30 VanDerWaalsContact C-N 3.26Å; S28-G30 PolarHBondContact O-N 2.89Å; G30-A33 PolarHBondContact O-N 2.88Å; G30-V34 WeakPolarHBondContact O-CG2 3.39Å; G30-V34 PolarHBondContact O-N 2.86Å |
| 31 | T | 89.1 | Confident | 87.4 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | S28 E29 V34 L35 | S28-T31 WeakPolarHBondContact O-CB 3.25Å; S28-T31 PolarHBondContact O-N 2.92Å; S28-T31 WeakPolarHBondContact OG-CB 3.2Å; S28-T31 PolarHBondContact OG-N 3.38Å; S28-T31 VanDerWaalsContact OG-N 3.15Å; S28-T31 PolarHBondContact OG-OG1 2.88Å; E29-T31 PolarHBondContact O-N 2.85Å; T31-V34 PolarHBondContact O-N 2.79Å; T31-L35 HydrophobicContact CG2-CD1 4.02Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 VanDerWaalsContact O-CG 3.31Å; T31-L35 WeakPolarHBondContact O-CG 3.45Å; T31-L35 PolarHBondContact O-N 3.39Å |
| 32 | R | 89.6 | Confident | 88 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 3% | 0.034 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 176.2 | -68.1 | 173.8 | 66.6 | -147.6 | 0.2 | 110.3 | E24 W27 S28 E29 V34 L35 Y36 L739 | E24-R32 HydrophobicContact CB-CG 4.45Å; E24-R32 IonicContact OE2-CZ 3.76Å; E24-R32 IonicContact OE2-NE 3.16Å; E24-R32 PolarHBondContact OE2-NE 3.24Å; E24-R32 IonicContact OE2-NH2 3.7Å; W27-R32 HydrophobicContact CB-CG 3.76Å; W27-R32 HydrophobicContact CE3-CG 4.1Å; S28-R32 PolarHBondContact O-N 3.09Å; E29-R32 PolarHBondContact O-N 3.41Å; R32-V34 VanDerWaalsContact C-N 3.29Å; R32-V34 PolarHBondContact O-N 2.74Å; R32-L35 PolarHBondContact O-N 2.81Å; R32-Y36 HydrophobicContact CB-CD2 4.32Å; R32-Y36 HydrophobicContact CB-CE2 4.4Å; R32-Y36 WeakPolarHBondContact O-CD2 3.4Å; R32-Y36 PolarHBondContact O-N 2.87Å; R32-L739 HydrophobicContact CB-CD1 3.76Å |
| 33 | A | 90.4 | Very high | 88.6 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 12% | 0.116 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.6 | -43.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | E29 G30 F37 L739 V740 | E29-A33 WeakPolarHBondContact O-CB 3.03Å; E29-A33 PolarHBondContact O-N 2.92Å; G30-A33 PolarHBondContact O-N 2.88Å; A33-F37 VanDerWaalsContact O-CB 3.26Å; A33-F37 WeakPolarHBondContact O-CB 3.43Å; A33-F37 PolarHBondContact O-N 3.38Å; A33-L739 HydrophobicContact CB-CB 4.13Å; A33-L739 HydrophobicContact CB-CD1 4.47Å; A33-V740 HydrophobicContact CB-CG2 4.04Å |
| 34 | V | 93.1 | Very high | 89.2 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.8 | -43.9 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | G30 T31 R32 F37 V38 | G30-V34 WeakPolarHBondContact O-CG2 3.39Å; G30-V34 PolarHBondContact O-N 2.86Å; T31-V34 PolarHBondContact O-N 2.79Å; R32-V34 VanDerWaalsContact C-N 3.29Å; R32-V34 PolarHBondContact O-N 2.74Å; V34-F37 PolarHBondContact O-N 3.47Å; V34-V38 HydrophobicContact CG1-CG2 4.32Å; V34-V38 WeakPolarHBondContact O-CB 3.33Å; V34-V38 VanDerWaalsContact O-CG2 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 2.95Å; V34-V38 PolarHBondContact O-N 3.33Å |
| 35 | L | 92.7 | Very high | 89.5 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 179.6 | -70.6 | 175 | 0 | 0 | 0 | 112.2 | W27 T31 R32 F37 V38 G39 | W27-L35 HydrophobicContact CE3-CD1 3.8Å; W27-L35 HydrophobicContact CH2-CD1 4.3Å; W27-L35 HydrophobicContact CZ3-CD1 3.46Å; W27-L35 VanDerWaalsContact CZ3-CD1 3.46Å; T31-L35 HydrophobicContact CG2-CD1 4.02Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 VanDerWaalsContact O-CG 3.31Å; T31-L35 WeakPolarHBondContact O-CG 3.45Å; T31-L35 PolarHBondContact O-N 3.39Å; R32-L35 PolarHBondContact O-N 2.81Å; L35-F37 VanDerWaalsContact C-N 3.34Å; L35-V38 PolarHBondContact O-N 3Å; L35-G39 PolarHBondContact O-N 3.16Å |
| 36 | Y | 93.2 | Very high | 90.4 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.5 | -81.1 | -77.6 | 0 | 0 | 0 | 111.8 | L19 E24 R32 G39 L40 L732 I735 L739 | L19-Y36 HydrophobicContact CD1-CE1 4.32Å; E24-Y36 VanDerWaalsContact CD-OH 3.25Å; E24-Y36 PolarHBondContact OE1-OH 2.93Å; E24-Y36 WeakPolarHBondContact OE2-CE2 3.42Å; E24-Y36 PolarHBondContact OE2-OH 3.16Å; R32-Y36 HydrophobicContact CB-CD2 4.32Å; R32-Y36 HydrophobicContact CB-CE2 4.4Å; R32-Y36 WeakPolarHBondContact O-CD2 3.4Å; R32-Y36 PolarHBondContact O-N 2.87Å; Y36-G39 PolarHBondContact O-N 3.04Å; Y36-L40 WeakPolarHBondContact O-CB 2.95Å; Y36-L40 PolarHBondContact O-N 2.94Å; Y36-L732 HydrophobicContact CD1-CD2 3.63Å; Y36-L732 HydrophobicContact CE1-CD2 4.15Å; Y36-I735 HydrophobicContact CD1-CB 3.94Å; Y36-I735 HydrophobicContact CD1-CD1 4.43Å; Y36-I735 HydrophobicContact CD1-CG2 3.87Å; Y36-I735 HydrophobicContact CD2-CG2 3.82Å; Y36-I735 HydrophobicContact CE1-CB 3.84Å; Y36-I735 HydrophobicContact CE1-CD1 3.6Å; Y36-I735 HydrophobicContact CE1-CG1 4.32Å; Y36-I735 HydrophobicContact CE1-CG2 3.63Å; Y36-I735 HydrophobicContact CE2-CG2 3.61Å; Y36-I735 HydrophobicContact CG-CB 4.42Å; Y36-I735 HydrophobicContact CG-CG2 4Å; Y36-L739 HydrophobicContact CD2-CD1 3.59Å; Y36-L739 HydrophobicContact CE2-CD1 4.12Å; Y36-L739 HydrophobicContact CG-CD1 4.39Å |
| 37 | F | 93.9 | Very high | 91 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 176.3 | -174.2 | -112.8 | 0 | 0 | 0 | 112.6 | A33 V34 L35 G39 L40 L41 F736 F751 | A33-F37 VanDerWaalsContact O-CB 3.26Å; A33-F37 WeakPolarHBondContact O-CB 3.43Å; A33-F37 PolarHBondContact O-N 3.38Å; V34-F37 PolarHBondContact O-N 3.47Å; L35-F37 VanDerWaalsContact C-N 3.34Å; F37-G39 VanDerWaalsContact C-N 3.33Å; F37-L40 WeakPolarHBondContact O-CB 3.28Å; F37-L40 PolarHBondContact O-N 2.78Å; F37-L41 HydrophobicContact CD1-CD1 4.11Å; F37-L41 HydrophobicContact CE1-CD1 3.58Å; F37-L41 HydrophobicContact CE1-CG 4.26Å; F37-L41 HydrophobicContact CZ-CD1 3.87Å; F37-L41 HydrophobicContact CZ-CD2 4.35Å; F37-L41 HydrophobicContact CZ-CG 4.21Å; F37-L41 WeakPolarHBondContact O-CG 3.47Å; F37-L41 PolarHBondContact O-N 2.85Å; F37-F736 HydrophobicContact CB-CD2 3.78Å; F37-F736 HydrophobicContact CB-CE2 3.63Å; F37-F736 HydrophobicContact CB-CZ 4.36Å; F37-F736 HydrophobicContact CD2-CD1 4.5Å; F37-F736 HydrophobicContact CD2-CD2 4.27Å; F37-F736 AromaticContact CD2-CE1 3.96Å; F37-F736 HydrophobicContact CD2-CE1 3.96Å; F37-F736 AromaticContact CD2-CE2 3.7Å; F37-F736 HydrophobicContact CD2-CE2 3.7Å; F37-F736 AromaticContact CD2-CZ 3.52Å; F37-F736 HydrophobicContact CD2-CZ 3.52Å; F37-F736 HydrophobicContact CE2-CZ 4.17Å; F37-F736 HydrophobicContact CG-CD2 4.47Å; F37-F736 AromaticContact CG-CE2 3.95Å; F37-F736 HydrophobicContact CG-CE2 3.95Å; F37-F736 HydrophobicContact CG-CZ 4.21Å; F37-F751 AromaticContact CE2-CD1 3.9Å; F37-F751 HydrophobicContact CE2-CD1 3.9Å; F37-F751 AromaticContact CE2-CE1 3.8Å; F37-F751 HydrophobicContact CE2-CE1 3.8Å; F37-F751 HydrophobicContact CE2-CZ 4.49Å; F37-F751 HydrophobicContact CZ-CE1 4.32Å |
| 38 | V | 93.9 | Very high | 91.1 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -41.4 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | V34 L35 L40 L41 Y42 | V34-V38 HydrophobicContact CG1-CG2 4.32Å; V34-V38 WeakPolarHBondContact O-CB 3.33Å; V34-V38 VanDerWaalsContact O-CG2 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 2.95Å; V34-V38 PolarHBondContact O-N 3.33Å; L35-V38 PolarHBondContact O-N 3Å; V38-L40 VanDerWaalsContact C-N 3.32Å; V38-L40 PolarHBondContact O-N 3.1Å; V38-L41 PolarHBondContact O-N 2.82Å; V38-Y42 VanDerWaalsContact O-CB 3.28Å; V38-Y42 WeakPolarHBondContact O-CB 3.34Å; V38-Y42 PolarHBondContact O-N 3.35Å |
| 39 | G | 93.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L35 Y36 F37 Y42 S43 | L35-G39 PolarHBondContact O-N 3.16Å; Y36-G39 PolarHBondContact O-N 3.04Å; F37-G39 VanDerWaalsContact C-N 3.33Å; G39-Y42 PolarHBondContact O-N 2.86Å; G39-S43 WeakPolarHBondContact O-CB 3.46Å; G39-S43 PolarHBondContact O-N 3.33Å; G39-S43 PolarHBondContact O-OG 3.4Å |
| 40 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 176.9 | -177.9 | 63.5 | 0 | 0 | 0 | 111.8 | Y36 F37 V38 Y42 S43 F44 V729 L732 A733 F751 | Y36-L40 WeakPolarHBondContact O-CB 2.95Å; Y36-L40 PolarHBondContact O-N 2.94Å; F37-L40 WeakPolarHBondContact O-CB 3.28Å; F37-L40 PolarHBondContact O-N 2.78Å; V38-L40 VanDerWaalsContact C-N 3.32Å; V38-L40 PolarHBondContact O-N 3.1Å; L40-Y42 VanDerWaalsContact C-N 3.34Å; L40-Y42 PolarHBondContact O-N 2.89Å; L40-S43 PolarHBondContact O-N 3.24Å; L40-S43 PolarHBondContact O-OG 3.02Å; L40-F44 HydrophobicContact CD1-CE1 4.23Å; L40-F44 HydrophobicContact CD1-CE2 4.07Å; L40-F44 HydrophobicContact CD1-CZ 3.63Å; L40-F44 HydrophobicContact CD2-CE2 4.45Å; L40-F44 HydrophobicContact CD2-CZ 4.45Å; L40-F44 HydrophobicContact CG-CE2 3.76Å; L40-F44 HydrophobicContact CG-CZ 3.83Å; L40-F44 WeakPolarHBondContact O-CD2 3.33Å; L40-F44 WeakPolarHBondContact O-CG 3.39Å; L40-F44 PolarHBondContact O-N 2.77Å; L40-V729 HydrophobicContact CD1-CG1 3.94Å; L40-L732 HydrophobicContact CB-CB 4.25Å; L40-L732 HydrophobicContact CD1-CB 4.19Å; L40-A733 HydrophobicContact CD1-CB 4.18Å; L40-A733 HydrophobicContact CD2-CB 4.41Å; L40-F751 HydrophobicContact CD2-CB 4.28Å |
| 41 | L | 92.4 | Very high | 91.4 | Very high | 85 Ų | 85 | 33.1 Ų | 33.1 | 45% | 0.445 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 175.6 | -67 | -178.7 | 0 | 0 | 0 | 112.2 | F37 V38 F44 | F37-L41 HydrophobicContact CD1-CD1 4.11Å; F37-L41 HydrophobicContact CE1-CD1 3.58Å; F37-L41 HydrophobicContact CE1-CG 4.26Å; F37-L41 HydrophobicContact CZ-CD1 3.87Å; F37-L41 HydrophobicContact CZ-CD2 4.35Å; F37-L41 HydrophobicContact CZ-CG 4.21Å; F37-L41 WeakPolarHBondContact O-CG 3.47Å; F37-L41 PolarHBondContact O-N 2.85Å; V38-L41 PolarHBondContact O-N 2.82Å; L41-F44 HydrophobicContact CD2-CD2 4.36Å; L41-F44 PolarHBondContact O-N 3.02Å |
| 42 | Y | 93.9 | Very high | 91.2 | Very high | 78 Ų | 78 | 30.9 Ų | 30.9 | 31% | 0.306 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.9 | -36.4 | 178.6 | -178.6 | -112.2 | 0 | 0 | 0 | 112.5 | V38 G39 L40 F44 V45 G46 I692 P695 W696 | V38-Y42 VanDerWaalsContact O-CB 3.28Å; V38-Y42 WeakPolarHBondContact O-CB 3.34Å; V38-Y42 PolarHBondContact O-N 3.35Å; G39-Y42 PolarHBondContact O-N 2.86Å; L40-Y42 VanDerWaalsContact C-N 3.34Å; L40-Y42 PolarHBondContact O-N 2.89Å; Y42-F44 VanDerWaalsContact C-N 3.34Å; Y42-V45 WeakPolarHBondContact O-CB 3.42Å; Y42-V45 PolarHBondContact O-N 3.42Å; Y42-G46 PolarHBondContact O-N 2.74Å; Y42-I692 HydrophobicContact CD2-CG2 4.16Å; Y42-I692 HydrophobicContact CE2-CG2 4.2Å; Y42-I692 WeakPolarHBondContact CE2-O 3.41Å; Y42-P695 WeakPolarHBondContact OH-CB 3.26Å; Y42-P695 WeakPolarHBondContact OH-CG 3.14Å; Y42-W696 AromaticContact CD1-CZ2 3.87Å; Y42-W696 HydrophobicContact CD1-CZ2 3.87Å; Y42-W696 AromaticContact CD1-NE1 3.66Å; Y42-W696 AromaticContact CD2-NE1 3.84Å; Y42-W696 AromaticContact CE1-CE2 3.54Å; Y42-W696 AromaticContact CE1-CZ2 3.57Å; Y42-W696 HydrophobicContact CE1-CZ2 3.57Å; Y42-W696 AromaticContact CE1-NE1 3.21Å; Y42-W696 AromaticContact CE2-CD1 3.82Å; Y42-W696 AromaticContact CE2-NE1 3.42Å; Y42-W696 AromaticContact CG-NE1 3.95Å; Y42-W696 AromaticContact CZ-CD1 3.64Å; Y42-W696 AromaticContact CZ-CE2 3.79Å; Y42-W696 AromaticContact CZ-NE1 3.07Å; Y42-W696 PolarHBondContact O-NE1 3.48Å; Y42-W696 PolarHBondContact OH-NE1 3.28Å |
| 43 | S | 93.6 | Very high | 91 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.7 | -32.8 | 176.5 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | G39 L40 V45 G46 V47 V729 | G39-S43 WeakPolarHBondContact O-CB 3.46Å; G39-S43 PolarHBondContact O-N 3.33Å; G39-S43 PolarHBondContact O-OG 3.4Å; L40-S43 PolarHBondContact O-N 3.24Å; L40-S43 PolarHBondContact O-OG 3.02Å; S43-V45 VanDerWaalsContact C-N 3.27Å; S43-V45 PolarHBondContact O-N 3.41Å; S43-G46 CarbonylContact O-C 3.58Å; S43-G46 WeakPolarHBondContact O-CA 3.37Å; S43-G46 PolarHBondContact O-N 3.21Å; S43-V47 WeakPolarHBondContact O-CG2 3.25Å; S43-V47 PolarHBondContact O-N 3.02Å; S43-V729 WeakPolarHBondContact OG-CG2 3.33Å |
| 44 | F | 91.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -32.6 | 172 | -64.1 | -43.8 | 0 | 0 | 0 | 113.3 | L40 L41 Y42 V47 A48 V729 F751 T756 | L40-F44 HydrophobicContact CD1-CE1 4.23Å; L40-F44 HydrophobicContact CD1-CE2 4.07Å; L40-F44 HydrophobicContact CD1-CZ 3.63Å; L40-F44 HydrophobicContact CD2-CE2 4.45Å; L40-F44 HydrophobicContact CD2-CZ 4.45Å; L40-F44 HydrophobicContact CG-CE2 3.76Å; L40-F44 HydrophobicContact CG-CZ 3.83Å; L40-F44 WeakPolarHBondContact O-CD2 3.33Å; L40-F44 WeakPolarHBondContact O-CG 3.39Å; L40-F44 PolarHBondContact O-N 2.77Å; L41-F44 HydrophobicContact CD2-CD2 4.36Å; L41-F44 PolarHBondContact O-N 3.02Å; Y42-F44 VanDerWaalsContact C-N 3.34Å; F44-V47 PolarHBondContact O-N 2.99Å; F44-A48 WeakPolarHBondContact O-CB 3.29Å; F44-A48 PolarHBondContact O-N 2.8Å; F44-V729 HydrophobicContact CE1-CG1 3.86Å; F44-V729 HydrophobicContact CZ-CG1 4.49Å; F44-F751 WeakPolarHBondContact CZ-O 3.24Å; F44-T756 HydrophobicContact CE1-CG2 4.25Å |
| 45 | V | 90.5 | Very high | 90.4 | Very high | 44 Ų | 44 | 26.1 Ų | 26.1 | 27% | 0.267 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | Y42 S43 A48 I49 A693 | Y42-V45 WeakPolarHBondContact O-CB 3.42Å; Y42-V45 PolarHBondContact O-N 3.42Å; S43-V45 VanDerWaalsContact C-N 3.27Å; S43-V45 PolarHBondContact O-N 3.41Å; V45-A48 PolarHBondContact O-N 2.73Å; V45-I49 HydrophobicContact CG1-CD1 4.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.39Å; V45-I49 PolarHBondContact O-N 2.81Å; V45-I49 VanDerWaalsContact O-N 3.1Å; V45-A693 HydrophobicContact CG1-CB 4.28Å |
| 46 | G | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y42 S43 A48 I49 L50 W696 | Y42-G46 PolarHBondContact O-N 2.74Å; S43-G46 CarbonylContact O-C 3.58Å; S43-G46 WeakPolarHBondContact O-CA 3.37Å; S43-G46 PolarHBondContact O-N 3.21Å; G46-A48 VanDerWaalsContact C-N 3.33Å; G46-A48 PolarHBondContact O-N 3.04Å; G46-I49 PolarHBondContact O-N 3.42Å; G46-L50 WeakPolarHBondContact O-CB 3.31Å; G46-L50 PolarHBondContact O-N 3.33Å; G46-W696 VanDerWaalsContact CA-CD2 3.42Å |
| 47 | V | 90.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 177.7 | 172 | 0 | 0 | 0 | 0 | 110 | S43 F44 L50 A51 P108 L725 V729 | S43-V47 WeakPolarHBondContact O-CG2 3.25Å; S43-V47 PolarHBondContact O-N 3.02Å; F44-V47 PolarHBondContact O-N 2.99Å; V47-L50 PolarHBondContact O-N 2.95Å; V47-A51 VanDerWaalsContact O-CB 3.25Å; V47-A51 WeakPolarHBondContact O-CB 3.27Å; V47-A51 PolarHBondContact O-N 2.98Å; V47-P108 HydrophobicContact CG1-CB 3.72Å; V47-P108 HydrophobicContact CG1-CG 3.42Å; V47-P108 VanDerWaalsContact CG1-CG 3.42Å; V47-L725 HydrophobicContact CB-CD2 4.3Å; V47-L725 HydrophobicContact CG2-CD2 3.6Å; V47-L725 HydrophobicContact CG2-CG 3.81Å; V47-V729 HydrophobicContact CG2-CG2 4.02Å |
| 48 | A | 87.4 | Confident | 88.9 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.8 | -50.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F44 V45 G46 L50 A51 D52 I320 P759 | F44-A48 WeakPolarHBondContact O-CB 3.29Å; F44-A48 PolarHBondContact O-N 2.8Å; V45-A48 PolarHBondContact O-N 2.73Å; G46-A48 VanDerWaalsContact C-N 3.33Å; G46-A48 PolarHBondContact O-N 3.04Å; A48-L50 PolarHBondContact O-N 3.37Å; A48-A51 WeakPolarHBondContact O-CB 3.48Å; A48-A51 PolarHBondContact O-N 3.32Å; A48-D52 PolarHBondContact O-N 3.04Å; A48-I320 HydrophobicContact CB-CG2 4.26Å; A48-I320 VanDerWaalsContact O-CG2 3.26Å; A48-I320 WeakPolarHBondContact O-CG2 3.24Å; A48-P759 HydrophobicContact CB-CG 4.06Å |
| 49 | I | 88 | Confident | 88 | Confident | 10 Ų | 10 | 18.9 Ų | 18.9 | 5% | 0.051 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | -178.2 | -60.9 | 177 | 0 | 0 | 0 | 112 | V45 G46 A51 D52 A53 T324 A693 W696 K697 V700 | V45-I49 HydrophobicContact CG1-CD1 4.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.39Å; V45-I49 PolarHBondContact O-N 2.81Å; V45-I49 VanDerWaalsContact O-N 3.1Å; G46-I49 PolarHBondContact O-N 3.42Å; I49-A51 VanDerWaalsContact C-N 3.31Å; I49-A51 PolarHBondContact O-N 2.92Å; I49-D52 VanDerWaalsContact O-CB 3.31Å; I49-D52 WeakPolarHBondContact O-CB 3.45Å; I49-D52 PolarHBondContact O-N 2.88Å; I49-D52 VanDerWaalsContact O-N 3.11Å; I49-A53 PolarHBondContact O-N 2.76Å; I49-T324 HydrophobicContact CD1-CG2 3.7Å; I49-T324 HydrophobicContact CG1-CG2 3.38Å; I49-A693 HydrophobicContact CD1-CB 3.8Å; I49-W696 HydrophobicContact CD1-CB 3.63Å; I49-K697 HydrophobicContact CD1-CG 4.06Å; I49-V700 HydrophobicContact CB-CG2 4.26Å; I49-V700 HydrophobicContact CG2-CB 3.82Å; I49-V700 HydrophobicContact CG2-CG1 4.12Å; I49-V700 HydrophobicContact CG2-CG2 3.49Å; I49-V700 VanDerWaalsContact CG2-CG2 3.49Å |
| 50 | L | 90 | Very high | 87.3 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 175.6 | -78.6 | 168.5 | 0 | 0 | 0 | 111.8 | G46 V47 A48 D52 A53 F54 L699 V700 L721 I722 L725 | G46-L50 WeakPolarHBondContact O-CB 3.31Å; G46-L50 PolarHBondContact O-N 3.33Å; V47-L50 PolarHBondContact O-N 2.95Å; A48-L50 PolarHBondContact O-N 3.37Å; L50-D52 VanDerWaalsContact C-N 3.26Å; L50-D52 PolarHBondContact O-N 3.48Å; L50-A53 PolarHBondContact O-N 2.78Å; L50-F54 PolarHBondContact O-N 2.75Å; L50-L699 HydrophobicContact CD2-CD2 4.14Å; L50-V700 HydrophobicContact CD2-CG2 3.51Å; L50-V700 HydrophobicContact CG-CG2 3.78Å; L50-L721 HydrophobicContact CD1-CB 4.05Å; L50-L721 HydrophobicContact CD2-CB 3.69Å; L50-L721 HydrophobicContact CD2-CD1 3.89Å; L50-L721 HydrophobicContact CD2-CG 4.47Å; L50-I722 HydrophobicContact CB-CD1 4.47Å; L50-I722 HydrophobicContact CB-CG1 3.68Å; L50-L725 HydrophobicContact CD1-CB 4.24Å; L50-L725 HydrophobicContact CD1-CD2 3.79Å |
| 51 | A | 85.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.8 | -32.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V47 A48 I49 F54 M55 I320 | V47-A51 VanDerWaalsContact O-CB 3.25Å; V47-A51 WeakPolarHBondContact O-CB 3.27Å; V47-A51 PolarHBondContact O-N 2.98Å; A48-A51 WeakPolarHBondContact O-CB 3.48Å; A48-A51 PolarHBondContact O-N 3.32Å; I49-A51 VanDerWaalsContact C-N 3.31Å; I49-A51 PolarHBondContact O-N 2.92Å; A51-F54 PolarHBondContact O-N 2.82Å; A51-M55 VanDerWaalsContact O-CB 3.28Å; A51-M55 WeakPolarHBondContact O-CB 3.3Å; A51-M55 WeakPolarHBondContact O-CG 3.37Å; A51-M55 PolarHBondContact O-N 2.77Å; A51-I320 HydrophobicContact CB-CD1 4.29Å |
| 52 | D | 83.7 | Confident | 85.7 | Confident | 23 Ų | 23 | 16.2 Ų | 16.2 | 12% | 0.123 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 173.2 | -170.8 | 46.1 | 0 | 0 | 0 | 111.7 | A48 I49 L50 F54 M55 C56 I317 I320 R321 | A48-D52 PolarHBondContact O-N 3.04Å; I49-D52 VanDerWaalsContact O-CB 3.31Å; I49-D52 WeakPolarHBondContact O-CB 3.45Å; I49-D52 PolarHBondContact O-N 2.88Å; I49-D52 VanDerWaalsContact O-N 3.11Å; L50-D52 VanDerWaalsContact C-N 3.26Å; L50-D52 PolarHBondContact O-N 3.48Å; D52-F54 VanDerWaalsContact C-N 3.32Å; D52-F54 PolarHBondContact O-N 3.39Å; D52-M55 PolarHBondContact O-N 3.34Å; D52-C56 WeakPolarHBondContact O-CB 3.34Å; D52-C56 PolarHBondContact O-N 2.85Å; D52-C56 PolarHBondContact O-SG 2.89Å; D52-I317 VanDerWaalsContact OD1-CA 3.24Å; D52-I317 WeakPolarHBondContact OD1-CA 3.33Å; D52-I317 VanDerWaalsContact OD1-CG2 3.29Å; D52-I317 WeakPolarHBondContact OD1-CG2 3.46Å; D52-I320 HydrophobicContact CB-CB 4.08Å; D52-I320 HydrophobicContact CB-CD1 4.03Å; D52-I320 HydrophobicContact CB-CG2 3.72Å; D52-R321 IonicContact OD1-NE 2.78Å; D52-R321 IonicContact OD2-NE 3.08Å; D52-R321 PolarHBondContact OD2-NE 2.81Å |
| 53 | A | 86.3 | Confident | 84.5 | Confident | 12 Ų | 12 | 15.2 Ų | 15.2 | 10% | 0.099 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I49 L50 C56 S57 V700 | I49-A53 PolarHBondContact O-N 2.76Å; L50-A53 PolarHBondContact O-N 2.78Å; A53-C56 PolarHBondContact O-N 2.72Å; A53-S57 PolarHBondContact O-N 3.48Å; A53-V700 HydrophobicContact CB-CG1 3.65Å |
| 54 | F | 88.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 175.1 | -175.8 | -127 | 0 | 0 | 0 | 111.8 | L50 A51 D52 C56 S57 I58 L103 A107 F715 S718 L719 I722 | L50-F54 PolarHBondContact O-N 2.75Å; A51-F54 PolarHBondContact O-N 2.82Å; D52-F54 VanDerWaalsContact C-N 3.32Å; D52-F54 PolarHBondContact O-N 3.39Å; F54-C56 PolarHBondContact O-N 3.28Å; F54-S57 WeakPolarHBondContact O-CB 3.35Å; F54-S57 PolarHBondContact O-N 3.29Å; F54-S57 VanDerWaalsContact O-N 3.17Å; F54-S57 PolarHBondContact O-OG 3Å; F54-I58 HydrophobicContact CD1-CD1 3.91Å; F54-I58 HydrophobicContact CD2-CD1 4.46Å; F54-I58 HydrophobicContact CE1-CD1 3.68Å; F54-I58 HydrophobicContact CE2-CD1 4.27Å; F54-I58 HydrophobicContact CG-CD1 4.3Å; F54-I58 HydrophobicContact CZ-CD1 3.86Å; F54-I58 PolarHBondContact O-N 3.48Å; F54-L103 HydrophobicContact CZ-CD2 4.41Å; F54-A107 HydrophobicContact CD1-CB 4.19Å; F54-A107 HydrophobicContact CE1-CB 3.76Å; F54-F715 HydrophobicContact CD2-CD2 4.03Å; F54-F715 HydrophobicContact CD2-CE2 4.3Å; F54-F715 HydrophobicContact CD2-CG 4.45Å; F54-F715 HydrophobicContact CE2-CD1 4.23Å; F54-F715 AromaticContact CE2-CD2 3.35Å; F54-F715 HydrophobicContact CE2-CD2 3.35Å; F54-F715 HydrophobicContact CE2-CE1 4.14Å; F54-F715 AromaticContact CE2-CE2 3.25Å; F54-F715 HydrophobicContact CE2-CE2 3.25Å; F54-F715 AromaticContact CE2-CG 3.85Å; F54-F715 HydrophobicContact CE2-CG 3.85Å; F54-F715 AromaticContact CE2-CZ 3.67Å; F54-F715 HydrophobicContact CE2-CZ 3.67Å; F54-F715 HydrophobicContact CZ-CD2 4.08Å; F54-F715 AromaticContact CZ-CE2 3.51Å; F54-F715 HydrophobicContact CZ-CE2 3.51Å; F54-F715 AromaticContact CZ-CZ 3.81Å; F54-F715 HydrophobicContact CZ-CZ 3.81Å; F54-S718 WeakPolarHBondContact CA-OG 3.49Å; F54-S718 WeakPolarHBondContact CD2-OG 3.47Å; F54-L719 HydrophobicContact CD2-CB 4.39Å; F54-L719 HydrophobicContact CE1-CD1 4.37Å; F54-L719 HydrophobicContact CE2-CB 4.04Å; F54-L719 HydrophobicContact CE2-CD1 4.05Å; F54-L719 HydrophobicContact CZ-CD1 3.86Å; F54-I722 HydrophobicContact CB-CD1 3.77Å; F54-I722 HydrophobicContact CD1-CD1 4.14Å; F54-I722 HydrophobicContact CG-CD1 4.03Å |
| 55 | M | 82.6 | Confident | 82 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.3 | -72 | -69.8 | -166.8 | 0 | 0 | 112.4 | A51 D52 S57 I58 E59 G104 S105 L313 R316 I317 | A51-M55 VanDerWaalsContact O-CB 3.28Å; A51-M55 WeakPolarHBondContact O-CB 3.3Å; A51-M55 WeakPolarHBondContact O-CG 3.37Å; A51-M55 PolarHBondContact O-N 2.77Å; D52-M55 PolarHBondContact O-N 3.34Å; M55-S57 VanDerWaalsContact C-N 3.25Å; M55-S57 PolarHBondContact O-N 2.94Å; M55-I58 WeakPolarHBondContact O-CB 3.39Å; M55-I58 PolarHBondContact O-N 2.97Å; M55-I58 VanDerWaalsContact O-N 3.13Å; M55-I58 HydrophobicContact SD-CD1 4.49Å; M55-E59 PolarHBondContact O-N 3.2Å; M55-G104 WeakPolarHBondContact CE-O 3.06Å; M55-S105 VanDerWaalsContact CE-CA 3.5Å; M55-L313 HydrophobicContact CB-CD1 3.58Å; M55-L313 HydrophobicContact CG-CD1 3.88Å; M55-L313 HydrophobicContact SD-CD1 3.18Å; M55-L313 WeakPolarHBondContact SD-CD1 3.2Å; M55-R316 HydrophobicContact CE-CB 4.33Å; M55-R316 HydrophobicContact CE-CG 4.46Å; M55-I317 HydrophobicContact CB-CD1 4.2Å; M55-I317 HydrophobicContact CB-CG1 3.71Å |
| 56 | C | 79.8 | Confident | 81 | Confident | 15 Ų | 15 | 24.1 Ų | 24.1 | 10% | 0.101 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -37.6 | 174.6 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | D52 A53 F54 E59 R60 R321 P706 | D52-C56 WeakPolarHBondContact O-CB 3.34Å; D52-C56 PolarHBondContact O-N 2.85Å; D52-C56 PolarHBondContact O-SG 2.89Å; A53-C56 PolarHBondContact O-N 2.72Å; F54-C56 PolarHBondContact O-N 3.28Å; C56-E59 PolarHBondContact O-N 3.35Å; C56-R60 PolarHBondContact O-N 3.27Å; C56-R60 VanDerWaalsContact O-N 3.11Å; C56-R321 PolarHBondContact SG-NH2 2.81Å; C56-R321 VanDerWaalsContact SG-NH2 3.43Å; C56-P706 HydrophobicContact CB-CG 4.04Å |
| 57 | S | 86.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 174.6 | 83.9 | 0 | 0 | 0 | 0 | 112.2 | A53 F54 M55 E59 R60 I61 G711 F715 | A53-S57 PolarHBondContact O-N 3.48Å; F54-S57 WeakPolarHBondContact O-CB 3.35Å; F54-S57 PolarHBondContact O-N 3.29Å; F54-S57 VanDerWaalsContact O-N 3.17Å; F54-S57 PolarHBondContact O-OG 3Å; M55-S57 VanDerWaalsContact C-N 3.25Å; M55-S57 PolarHBondContact O-N 2.94Å; S57-E59 VanDerWaalsContact C-N 3.34Å; S57-E59 PolarHBondContact O-N 2.87Å; S57-R60 PolarHBondContact O-N 2.75Å; S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.24Å; S57-I61 PolarHBondContact O-N 3.22Å; S57-G711 WeakPolarHBondContact CB-O 3.39Å; S57-F715 VanDerWaalsContact OG-CA 3.25Å; S57-F715 WeakPolarHBondContact OG-CA 3.45Å; S57-F715 WeakPolarHBondContact OG-CB 3.31Å |
| 58 | I | 82.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.1 | -69.8 | 159 | 0 | 0 | 0 | 110.8 | F54 M55 R60 I61 T62 L100 M101 L313 F715 | F54-I58 HydrophobicContact CD1-CD1 3.91Å; F54-I58 HydrophobicContact CD2-CD1 4.46Å; F54-I58 HydrophobicContact CE1-CD1 3.68Å; F54-I58 HydrophobicContact CE2-CD1 4.27Å; F54-I58 HydrophobicContact CG-CD1 4.3Å; F54-I58 HydrophobicContact CZ-CD1 3.86Å; F54-I58 PolarHBondContact O-N 3.48Å; M55-I58 WeakPolarHBondContact O-CB 3.39Å; M55-I58 PolarHBondContact O-N 2.97Å; M55-I58 VanDerWaalsContact O-N 3.13Å; M55-I58 HydrophobicContact SD-CD1 4.49Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.49Å; I58-I61 PolarHBondContact O-N 3.3Å; I58-T62 HydrophobicContact CG2-CG2 3.99Å; I58-T62 WeakPolarHBondContact O-CB 3.49Å; I58-T62 WeakPolarHBondContact O-CG2 3.37Å; I58-T62 PolarHBondContact O-N 3.14Å; I58-T62 PolarHBondContact O-OG1 3.13Å; I58-L100 VanDerWaalsContact CD1-O 3.24Å; I58-L100 WeakPolarHBondContact CD1-O 3.2Å; I58-L100 HydrophobicContact CG1-CB 4.44Å; I58-L100 HydrophobicContact CG2-CB 3.66Å; I58-M101 HydrophobicContact CG2-CG 4.07Å; I58-L313 HydrophobicContact CB-CD2 4.44Å; I58-L313 HydrophobicContact CG2-CD2 4.09Å; I58-F715 HydrophobicContact CD1-CE2 4.34Å; I58-F715 HydrophobicContact CG1-CD2 3.91Å; I58-F715 HydrophobicContact CG1-CE2 3.88Å |
| 59 | E | 76.3 | Confident | 77.6 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 33% | 0.332 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.3 | -166 | 172.1 | -172.3 | 0 | 0 | 110.2 | M55 C56 S57 T62 S63 L313 I317 | M55-E59 PolarHBondContact O-N 3.2Å; C56-E59 PolarHBondContact O-N 3.35Å; S57-E59 VanDerWaalsContact C-N 3.34Å; S57-E59 PolarHBondContact O-N 2.87Å; E59-T62 PolarHBondContact O-N 3.39Å; E59-T62 PolarHBondContact O-OG1 3.14Å; E59-S63 WeakPolarHBondContact O-CB 3.01Å; E59-S63 PolarHBondContact O-N 3.47Å; E59-S63 PolarHBondContact O-OG 3.5Å; E59-L313 HydrophobicContact CB-CD2 3.34Å; E59-L313 HydrophobicContact CB-CG 4.24Å; E59-L313 HydrophobicContact CG-CD2 3.86Å; E59-I317 HydrophobicContact CB-CD1 4.4Å; E59-I317 WeakPolarHBondContact OE2-CD1 3.44Å |
| 60 | R | 77.4 | Confident | 76 | Confident | 37 Ų | 37 | 44 Ų | 44 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.5 | -176.2 | 61.2 | 171.7 | 155.8 | 0.4 | 111.9 | C56 S57 I58 S63 T64 L659 P706 | C56-R60 PolarHBondContact O-N 3.27Å; C56-R60 VanDerWaalsContact O-N 3.11Å; S57-R60 PolarHBondContact O-N 2.75Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.49Å; R60-S63 PolarHBondContact O-OG 2.75Å; R60-T64 PolarHBondContact O-OG1 2.93Å; R60-L659 VanDerWaalsContact CD-CD2 3.45Å; R60-P706 HydrophobicContact CB-CB 4.34Å; R60-P706 WeakPolarHBondContact CG-O 3.48Å |
| 61 | I | 80.3 | Confident | 74.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | 179.2 | -67.5 | 163.7 | 0 | 0 | 0 | 110.7 | S57 I58 T64 L100 N710 W712 F715 | S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.24Å; S57-I61 PolarHBondContact O-N 3.22Å; I58-I61 PolarHBondContact O-N 3.3Å; I61-T64 WeakPolarHBondContact O-CB 3.44Å; I61-T64 PolarHBondContact O-N 3.04Å; I61-T64 PolarHBondContact O-OG1 2.79Å; I61-L100 HydrophobicContact CG2-CD1 4.04Å; I61-N710 WeakPolarHBondContact CG1-O 3.33Å; I61-W712 HydrophobicContact CD1-CD2 3.95Å; I61-W712 HydrophobicContact CD1-CE3 4.04Å; I61-W712 HydrophobicContact CD1-CG 4.37Å; I61-W712 HydrophobicContact CD1-CZ3 4.39Å; I61-W712 HydrophobicContact CG1-CD2 4.34Å; I61-W712 HydrophobicContact CG2-CH2 4.48Å; I61-W712 HydrophobicContact CG2-CZ2 3.95Å; I61-F715 HydrophobicContact CD1-CB 3.97Å; I61-F715 HydrophobicContact CD1-CD2 3.89Å; I61-F715 HydrophobicContact CD1-CG 4.12Å |
| 62 | T | 73.9 | Confident | 72.7 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.5 | -26.3 | -175.1 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | I58 E59 T64 I89 W91 A96 L100 | I58-T62 HydrophobicContact CG2-CG2 3.99Å; I58-T62 WeakPolarHBondContact O-CB 3.49Å; I58-T62 WeakPolarHBondContact O-CG2 3.37Å; I58-T62 PolarHBondContact O-N 3.14Å; I58-T62 PolarHBondContact O-OG1 3.13Å; E59-T62 PolarHBondContact O-N 3.39Å; E59-T62 PolarHBondContact O-OG1 3.14Å; T62-T64 PolarHBondContact O-N 3.16Å; T62-I89 WeakPolarHBondContact O-CG2 3.09Å; T62-W91 HydrophobicContact CG2-CG 4.43Å; T62-A96 HydrophobicContact CG2-CB 3.89Å; T62-L100 HydrophobicContact CG2-CB 4.27Å; T62-L100 HydrophobicContact CG2-CD1 3.86Å |
| 63 | S | 69.1 | Low | 71.2 | Confident | 56 Ų | 56 | 54 Ų | 54 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -0.1 | 175.1 | 62 | 0 | 0 | 0 | 0 | 114.2 | E59 R60 K65 | E59-S63 WeakPolarHBondContact O-CB 3.01Å; E59-S63 PolarHBondContact O-N 3.47Å; E59-S63 PolarHBondContact O-OG 3.5Å; R60-S63 PolarHBondContact O-OG 2.75Å; S63-K65 PolarHBondContact O-N 3.24Å |
| 64 | T | 66.4 | Low | 69.5 | Low | 44 Ų | 44 | 57.5 Ų | 57.5 | 27% | 0.27 | 28% | 0.284 | S | S | . | . | trans | -62.5 | 125.5 | 176.7 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | R60 I61 T62 I90 | R60-T64 PolarHBondContact O-OG1 2.93Å; I61-T64 WeakPolarHBondContact O-CB 3.44Å; I61-T64 PolarHBondContact O-N 3.04Å; I61-T64 PolarHBondContact O-OG1 2.79Å; T62-T64 PolarHBondContact O-N 3.16Å; T64-I90 HydrophobicContact CG2-CD1 3.65Å; T64-I90 WeakPolarHBondContact O-CG1 3.44Å; T64-I90 PolarHBondContact O-N 2.96Å | ||
| 65 | K | 66.3 | Low | 67.5 | Low | 76 Ų | 76 | 58.6 Ų | 58.6 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 145.1 | 176.9 | -62.3 | -174.9 | 179.6 | -171.7 | 0 | 111 | S63 E87 T88 I89 | S63-K65 PolarHBondContact O-N 3.24Å; K65-E87 HydrophobicContact CB-CB 4.41Å; K65-E87 HydrophobicContact CD-CB 4.19Å; K65-E87 WeakPolarHBondContact CD-OE2 3.25Å; K65-E87 IonicContact NZ-OE2 3.87Å; K65-T88 CarbonylContact C-O 3.58Å; K65-T88 WeakPolarHBondContact CA-O 3.4Å; K65-I89 HydrophobicContact CG-CG1 4.31Å |
| 66 | K | 68.5 | Low | 66.1 | Low | 131 Ų | 131 | 66.2 Ų | 66.2 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.6 | 171.6 | -178.4 | 176.3 | -177 | -179.7 | 0 | 109.4 | I68 E87 T88 I90 | K66-I68 HydrophobicContact CG-CG1 4.39Å; K66-E87 WeakPolarHBondContact O-CA 3.3Å; K66-T88 PolarHBondContact N-O 3.43Å; K66-T88 PolarHBondContact O-N 2.88Å; K66-I90 HydrophobicContact CB-CD1 4.08Å; K66-I90 HydrophobicContact CB-CG1 3.64Å |
| 67 | R | 67.8 | Low | 64.6 | Low | 144 Ų | 144 | 70 Ų | 70 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 116.8 | 172.3 | -59.1 | -176.4 | 82.1 | -178.9 | 2.5 | 108.7 | Y85 E87 | R67-Y85 HydrophobicContact CB-CD1 4.09Å; R67-E87 HydrophobicContact CG-CG 4.08Å; R67-E87 WeakPolarHBondContact CG-OE1 3.43Å; R67-E87 IonicContact NE-OE1 2.68Å |
| 68 | I | 64.6 | Low | 62.4 | Low | 76 Ų | 76 | 70.3 Ų | 70.3 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.8 | 175.9 | -57.7 | 178.7 | 0 | 0 | 0 | 107.9 | K66 M70 Y85 Q86 T88 | K66-I68 HydrophobicContact CG-CG1 4.39Å; I68-M70 PolarHBondContact O-N 2.92Å; I68-Y85 CarbonylContact O-C 3.26Å; I68-Y85 WeakPolarHBondContact O-CA 3.25Å; I68-Q86 PolarHBondContact N-O 3.22Å; I68-Q86 PolarHBondContact O-N 2.82Å; I68-T88 HydrophobicContact CD1-CG2 4.3Å; I68-T88 VanDerWaalsContact CD1-OG1 3.24Å; I68-T88 WeakPolarHBondContact CD1-OG1 3.39Å |
| 69 | K | 66.2 | Low | 60.5 | Low | 92 Ų | 92 | 72.6 Ų | 72.6 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 111.3 | 172.4 | -175.9 | 175.5 | 169.6 | -177.7 | 0 | 108.7 | T72 E83 Y85 | K69-T72 WeakPolarHBondContact CE-OG1 3.33Å; K69-T72 PolarHBondContact NZ-OG1 2.81Å; K69-E83 HydrophobicContact CD-CB 4.33Å; K69-E83 HydrophobicContact CD-CG 4.29Å; K69-E83 VanDerWaalsContact CE-CD 3.43Å; K69-E83 WeakPolarHBondContact CE-OE1 3.01Å; K69-E83 HydrophobicContact CG-CB 4.41Å; K69-E83 IonicContact NZ-OE1 2.66Å; K69-E83 PolarHBondContact NZ-OE1 2.88Å; K69-E83 IonicContact NZ-OE2 3.02Å; K69-Y85 HydrophobicContact CB-CD1 4.21Å; K69-Y85 HydrophobicContact CB-CE1 3.99Å |
| 70 | M | 54.2 | Low | 58.5 | Low | 123 Ų | 123 | 71.5 Ų | 71.5 | 61% | 0.606 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -48.9 | -175.7 | -80.8 | -152.2 | 73.5 | 0 | 0 | 112.9 | I68 H84 Q86 | I68-M70 PolarHBondContact O-N 2.92Å; M70-H84 PolarHBondContact N-O 3.34Å; M70-Q86 HydrophobicContact CG-CB 3.61Å; M70-Q86 HydrophobicContact SD-CB 3.64Å; M70-Q86 HydrophobicContact SD-CG 4.22Å; M70-Q86 PolarHBondContact SD-OE1 3.14Å |
| 71 | Q | 56.5 | Low | 57.2 | Low | 127 Ų | 127 | 75 Ų | 75 | 59% | 0.593 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 136.2 | -175 | -165.8 | 171.3 | -6.9 | 0 | 0 | 109.6 | T73 H84 | Q71-T73 HydrophobicContact CG-CG2 4.03Å; Q71-H84 PolarHBondContact O-N 2.74Å |
| 72 | T | 50.6 | Low | 55.8 | Low | 71 Ų | 71 | 78.4 Ų | 78.4 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 103.4 | 170 | -51.2 | 0 | 0 | 0 | 0 | 106 | K69 I81 | K69-T72 WeakPolarHBondContact CE-OG1 3.33Å; K69-T72 PolarHBondContact NZ-OG1 2.81Å; T72-I81 HydrophobicContact CG2-CB 4.48Å; T72-I81 HydrophobicContact CG2-CG2 3.18Å |
| 73 | T | 51.1 | Low | 55 | Low | 41 Ų | 41 | 81.6 Ų | 81.6 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.5 | 172.7 | 47.2 | 0 | 0 | 0 | 0 | 107.9 | Q71 L82 H84 | Q71-T73 HydrophobicContact CG-CG2 4.03Å; T73-L82 PolarHBondContact N-O 3.33Å; T73-L82 WeakPolarHBondContact O-CA 3.2Å; T73-L82 WeakPolarHBondContact O-CB 3.41Å; T73-L82 PolarHBondContact O-N 2.92Å; T73-L82 WeakPolarHBondContact OG1-CB 3.36Å; T73-L82 PolarHBondContact OG1-O 3.42Å; T73-H84 PolarHBondContact OG1-CE1 2.82Å; T73-H84 VanDerWaalsContact OG1-CE1 3.31Å; T73-H84 PolarHBondContact OG1-ND1 3.42Å |
| 74 | V | 51.2 | Low | 54.1 | Low | 86 Ų | 86 | 84 Ų | 84 | 52% | 0.521 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.6 | 167.7 | -176.5 | 0 | 0 | 0 | 0 | 105.8 | D76 S80 | V74-D76 PolarHBondContact O-N 2.99Å; V74-S80 WeakPolarHBondContact CA-O 3.44Å |
| 75 | D | 46.4 | Very low | 53.6 | Low | 23 Ų | 23 | 87 Ų | 87 | 12% | 0.123 | 44% | 0.437 | C | S | . | . | trans | -69.9 | 113.5 | 175.5 | -177.6 | 10.2 | 0 | 0 | 0 | 108.4 | E77 T78 G79 S80 L82 K252 | D75-E77 PolarHBondContact O-N 2.98Å; D75-E77 VanDerWaalsContact O-N 3.08Å; D75-T78 HydrophobicContact CB-CG2 4.36Å; D75-T78 WeakPolarHBondContact CB-OG1 3.39Å; D75-T78 VanDerWaalsContact CG-OG1 3.23Å; D75-T78 PolarHBondContact O-N 3.27Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.21Å; D75-T78 PolarHBondContact OD2-OG1 3.06Å; D75-G79 PolarHBondContact O-N 2.84Å; D75-S80 PolarHBondContact N-O 3Å; D75-L82 HydrophobicContact CB-CD1 3.71Å; D75-L82 HydrophobicContact CB-CG 4.01Å; D75-K252 IonicContact OD1-NZ 3.72Å; D75-K252 VanDerWaalsContact OD2-CD 3.24Å; D75-K252 WeakPolarHBondContact OD2-CD 3.4Å; D75-K252 IonicContact OD2-NZ 3.84Å; D75-K252 PolarHBondContact OD2-NZ 3.14Å | ||
| 76 | D | 54.1 | Low | 52.9 | Low | 164 Ų | 164 | 87.7 Ų | 87.7 | 88% | 0.877 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.6 | -168.9 | -69.3 | -36.3 | 0 | 0 | 0 | 112.8 | V74 | V74-D76 PolarHBondContact O-N 2.99Š|
| 77 | E | 46.9 | Very low | 52.2 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -15.6 | 179.6 | -58.9 | -170.2 | 153 | 0 | 0 | 113.6 | D75 S249 | D75-E77 PolarHBondContact O-N 2.98Å; D75-E77 VanDerWaalsContact O-N 3.08Å; E77-S249 WeakPolarHBondContact OE1-CA 3.32Å; E77-S249 WeakPolarHBondContact OE1-CB 3.41Å |
| 78 | T | 41.2 | Very low | 51.7 | Low | 5 Ų | 5 | 77.6 Ų | 77.6 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | -9.6 | -159.6 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | D75 S80 K252 K253 | D75-T78 HydrophobicContact CB-CG2 4.36Å; D75-T78 WeakPolarHBondContact CB-OG1 3.39Å; D75-T78 VanDerWaalsContact CG-OG1 3.23Å; D75-T78 PolarHBondContact O-N 3.27Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.21Å; D75-T78 PolarHBondContact OD2-OG1 3.06Å; T78-S80 PolarHBondContact O-N 3.08Å; T78-S80 VanDerWaalsContact OG1-CB 3.26Å; T78-S80 WeakPolarHBondContact OG1-CB 3.04Å; T78-S80 PolarHBondContact OG1-N 2.92Å; T78-S80 VanDerWaalsContact OG1-N 3.12Å; T78-S80 PolarHBondContact OG1-OG 2.84Å; T78-K252 WeakPolarHBondContact CB-O 3.45Å; T78-K252 HydrophobicContact CG2-CB 3.06Å; T78-K252 HydrophobicContact CG2-CD 3.54Å; T78-K252 HydrophobicContact CG2-CG 4.01Å; T78-K252 WeakPolarHBondContact CG2-O 3.39Å; T78-K253 WeakPolarHBondContact O-CE 3.33Å; T78-K253 WeakPolarHBondContact O-CG 3.11Å |
| 79 | G | 42.6 | Very low | 51.7 | Low | 49 Ų | 49 | 78.3 Ų | 78.3 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | trans | 54.2 | 10.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D75 | D75-G79 PolarHBondContact O-N 2.84Š| ||
| 80 | S | 34.1 | Very low | 52.1 | Low | 48 Ų | 48 | 78.4 Ų | 78.4 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | trans | -80.1 | 136.7 | -177.6 | 72 | 0 | 0 | 0 | 0 | 108.7 | V74 D75 T78 L82 | V74-S80 WeakPolarHBondContact CA-O 3.44Å; D75-S80 PolarHBondContact N-O 3Å; T78-S80 PolarHBondContact O-N 3.08Å; T78-S80 VanDerWaalsContact OG1-CB 3.26Å; T78-S80 WeakPolarHBondContact OG1-CB 3.04Å; T78-S80 PolarHBondContact OG1-N 2.92Å; T78-S80 VanDerWaalsContact OG1-N 3.12Å; T78-S80 PolarHBondContact OG1-OG 2.84Å; S80-L82 PolarHBondContact O-N 2.84Å; S80-L82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | I | 50.4 | Low | 52.8 | Low | 111 Ų | 111 | 76.3 Ų | 76.3 | 57% | 0.569 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 98.3 | -179.9 | -61.2 | -178.1 | 0 | 0 | 0 | 106.8 | T72 E83 | T72-I81 HydrophobicContact CG2-CB 4.48Å; T72-I81 HydrophobicContact CG2-CG2 3.18Å; I81-E83 HydrophobicContact CG2-CG 3.99Å; I81-E83 PolarHBondContact O-N 2.94Å |
| 82 | L | 50 | Low | 53.7 | Low | 73 Ų | 73 | 71.8 Ų | 71.8 | 38% | 0.382 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 104 | 172 | -68.2 | 177.7 | 0 | 0 | 0 | 109.1 | T73 D75 S80 H84 | T73-L82 PolarHBondContact N-O 3.33Å; T73-L82 WeakPolarHBondContact O-CA 3.2Å; T73-L82 WeakPolarHBondContact O-CB 3.41Å; T73-L82 PolarHBondContact O-N 2.92Å; T73-L82 WeakPolarHBondContact OG1-CB 3.36Å; T73-L82 PolarHBondContact OG1-O 3.42Å; D75-L82 HydrophobicContact CB-CD1 3.71Å; D75-L82 HydrophobicContact CB-CG 4.01Å; S80-L82 PolarHBondContact O-N 2.84Å; S80-L82 VanDerWaalsContact O-N 3.13Å; L82-H84 PolarHBondContact O-N 2.84Å |
| 83 | E | 56.7 | Low | 54.5 | Low | 78 Ų | 78 | 70.9 Ų | 70.9 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 109.3 | 175.7 | -56.8 | -171.8 | 155.9 | 0 | 0 | 109.8 | K69 I81 Y85 | K69-E83 HydrophobicContact CD-CB 4.33Å; K69-E83 HydrophobicContact CD-CG 4.29Å; K69-E83 VanDerWaalsContact CE-CD 3.43Å; K69-E83 WeakPolarHBondContact CE-OE1 3.01Å; K69-E83 HydrophobicContact CG-CB 4.41Å; K69-E83 IonicContact NZ-OE1 2.66Å; K69-E83 PolarHBondContact NZ-OE1 2.88Å; K69-E83 IonicContact NZ-OE2 3.02Å; I81-E83 HydrophobicContact CG2-CG 3.99Å; I81-E83 PolarHBondContact O-N 2.94Å; E83-Y85 HydrophobicContact CB-CD2 4.24Å; E83-Y85 HydrophobicContact CB-CE2 3.59Å; E83-Y85 WeakPolarHBondContact O-CD2 3.2Å; E83-Y85 PolarHBondContact O-N 3.1Å; E83-Y85 PolarHBondContact OE2-OH 3.31Å |
| 84 | H | 50.9 | Low | 55.5 | Low | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.5 | 173.3 | -73.7 | 77.9 | 0 | 0 | 0 | 109.3 | M70 Q71 T73 L82 | M70-H84 PolarHBondContact N-O 3.34Å; Q71-H84 PolarHBondContact O-N 2.74Å; T73-H84 PolarHBondContact OG1-CE1 2.82Å; T73-H84 VanDerWaalsContact OG1-CE1 3.31Å; T73-H84 PolarHBondContact OG1-ND1 3.42Å; L82-H84 PolarHBondContact O-N 2.84Å |
| 85 | Y | 56 | Low | 56.9 | Low | 107 Ų | 107 | 67 Ų | 67 | 42% | 0.42 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130 | 172.8 | -68.6 | -93 | 0 | 0 | 0 | 109.8 | R67 I68 K69 E83 | R67-Y85 HydrophobicContact CB-CD1 4.09Å; I68-Y85 CarbonylContact O-C 3.26Å; I68-Y85 WeakPolarHBondContact O-CA 3.25Å; K69-Y85 HydrophobicContact CB-CD1 4.21Å; K69-Y85 HydrophobicContact CB-CE1 3.99Å; E83-Y85 HydrophobicContact CB-CD2 4.24Å; E83-Y85 HydrophobicContact CB-CE2 3.59Å; E83-Y85 WeakPolarHBondContact O-CD2 3.2Å; E83-Y85 PolarHBondContact O-N 3.1Å; E83-Y85 PolarHBondContact OE2-OH 3.31Å |
| 86 | Q | 50.9 | Low | 58.3 | Low | 91 Ų | 91 | 66.1 Ų | 66.1 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.1 | 166.2 | -173.8 | 179.3 | 25.9 | 0 | 0 | 108.7 | I68 M70 T88 | I68-Q86 PolarHBondContact N-O 3.22Å; I68-Q86 PolarHBondContact O-N 2.82Å; M70-Q86 HydrophobicContact CG-CB 3.61Å; M70-Q86 HydrophobicContact SD-CB 3.64Å; M70-Q86 HydrophobicContact SD-CG 4.22Å; M70-Q86 PolarHBondContact SD-OE1 3.14Å; Q86-T88 HydrophobicContact CG-CG2 4.45Å |
| 87 | E | 54.6 | Low | 59.1 | Low | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.1 | 172.1 | -48.2 | -152.7 | 114.7 | 0 | 0 | 110.6 | K65 K66 R67 P271 D272 | K65-E87 HydrophobicContact CB-CB 4.41Å; K65-E87 HydrophobicContact CD-CB 4.19Å; K65-E87 WeakPolarHBondContact CD-OE2 3.25Å; K65-E87 IonicContact NZ-OE2 3.87Å; K66-E87 WeakPolarHBondContact O-CA 3.3Å; R67-E87 HydrophobicContact CG-CG 4.08Å; R67-E87 WeakPolarHBondContact CG-OE1 3.43Å; R67-E87 IonicContact NE-OE1 2.68Å; E87-P271 VanDerWaalsContact CD-CG 3.5Å; E87-P271 HydrophobicContact CG-CB 3.98Å; E87-P271 HydrophobicContact CG-CG 4.46Å; E87-P271 WeakPolarHBondContact OE1-CB 3.24Å; E87-P271 WeakPolarHBondContact OE1-CD 3.08Å; E87-P271 WeakPolarHBondContact OE1-CG 3.41Å; E87-P271 VanDerWaalsContact OE2-CD 3.26Å; E87-P271 WeakPolarHBondContact OE2-CD 3.4Å; E87-D272 HydrophobicContact CB-CB 3.8Å; E87-D272 HydrophobicContact CG-CB 3.8Å; E87-D272 VanDerWaalsContact O-OD2 3.1Å; E87-D272 WeakPolarHBondContact OE2-CB 3.34Å; E87-D272 PolarHBondContact OE2-N 3.23Å |
| 88 | T | 56 | Low | 60.5 | Low | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.3 | 173.3 | 54.6 | 0 | 0 | 0 | 0 | 108.7 | K65 K66 I68 Q86 I90 | K65-T88 CarbonylContact C-O 3.58Å; K65-T88 WeakPolarHBondContact CA-O 3.4Å; K66-T88 PolarHBondContact N-O 3.43Å; K66-T88 PolarHBondContact O-N 2.88Å; I68-T88 HydrophobicContact CD1-CG2 4.3Å; I68-T88 VanDerWaalsContact CD1-OG1 3.24Å; I68-T88 WeakPolarHBondContact CD1-OG1 3.39Å; Q86-T88 HydrophobicContact CG-CG2 4.45Å; T88-I90 PolarHBondContact O-N 2.67Å |
| 89 | I | 66.3 | Low | 62.4 | Low | 91 Ų | 91 | 55.7 Ų | 55.7 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 128.6 | 171 | -57.5 | 172.7 | 0 | 0 | 0 | 106.7 | T62 K65 W91 | T62-I89 WeakPolarHBondContact O-CG2 3.09Å; K65-I89 HydrophobicContact CG-CG1 4.31Å; I89-W91 WeakPolarHBondContact CG2-O 3.39Å; I89-W91 PolarHBondContact O-N 2.72Å |
| 90 | I | 74.4 | Confident | 64.1 | Low | 93 Ų | 93 | 54.4 Ų | 54.4 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -61.5 | -40.1 | -176.8 | -67.1 | 173.9 | 0 | 0 | 0 | 110.4 | T64 K66 T88 | T64-I90 HydrophobicContact CG2-CD1 3.65Å; T64-I90 WeakPolarHBondContact O-CG1 3.44Å; T64-I90 PolarHBondContact O-N 2.96Å; K66-I90 HydrophobicContact CB-CD1 4.08Å; K66-I90 HydrophobicContact CB-CG1 3.64Å; T88-I90 PolarHBondContact O-N 2.67Å |
| 91 | W | 68.9 | Low | 66 | Low | 79 Ų | 79 | 52.5 Ų | 52.5 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -91.8 | 125 | -178.4 | -65.3 | 88.5 | 0 | 0 | 0 | 111.2 | T62 I89 V95 A96 L100 | T62-W91 HydrophobicContact CG2-CG 4.43Å; I89-W91 WeakPolarHBondContact CG2-O 3.39Å; I89-W91 PolarHBondContact O-N 2.72Å; W91-V95 HydrophobicContact CE3-CG1 4.3Å; W91-V95 HydrophobicContact CZ3-CG1 4.43Å; W91-A96 HydrophobicContact CB-CB 4.08Å; W91-L100 HydrophobicContact CH2-CD1 3.92Å; W91-L100 HydrophobicContact CZ2-CD1 3.87Å; W91-L100 HydrophobicContact CZ3-CD1 4.33Å |
| 92 | N | 74.1 | Confident | 67.3 | Low | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.171 | 24% | 0.236 | C | C | . | . | trans | -61.5 | 130.6 | 166.6 | 178.8 | -74.3 | 0 | 0 | 0 | 108.8 | T94 V95 A96 Y211 | N92-T94 VanDerWaalsContact C-N 3.25Å; N92-T94 PolarHBondContact O-N 2.69Å; N92-T94 VanDerWaalsContact O-N 3.16Å; N92-T94 VanDerWaalsContact OD1-CB 3.26Å; N92-T94 WeakPolarHBondContact OD1-CB 3.45Å; N92-T94 PolarHBondContact OD1-N 2.8Å; N92-V95 HydrophobicContact CB-CB 4.1Å; N92-V95 HydrophobicContact CB-CG2 3.91Å; N92-V95 CarbonylContact O-C 3.53Å; N92-V95 WeakPolarHBondContact O-CA 3.46Å; N92-V95 WeakPolarHBondContact O-CB 3.43Å; N92-V95 PolarHBondContact O-N 3.09Å; N92-V95 PolarHBondContact OD1-N 2.79Å; N92-A96 PolarHBondContact O-N 3.04Å; N92-Y211 HydrophobicContact CB-CD2 3.86Å; N92-Y211 HydrophobicContact CB-CE2 3.77Å; N92-Y211 VanDerWaalsContact ND2-CE2 3.33Å; N92-Y211 WeakPolarHBondContact ND2-CE2 3.07Å | ||
| 93 | P | 68.7 | Low | 68.8 | Low | 53 Ų | 53 | 45.6 Ų | 45.6 | 34% | 0.344 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.3 | -37.9 | -176.1 | -28.7 | 34.8 | 0 | 0 | 0 | 113.7 | N97 | P93-N97 WeakPolarHBondContact O-CB 2.93Å; P93-N97 PolarHBondContact O-N 2.68Å; P93-N97 PolarHBondContact O-ND2 2.84Å |
| 94 | T | 70.4 | Confident | 69.9 | Low | 21 Ų | 21 | 41.9 Ų | 41.9 | 13% | 0.129 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.8 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | N92 L98 V164 A210 S214 | N92-T94 VanDerWaalsContact C-N 3.25Å; N92-T94 PolarHBondContact O-N 2.69Å; N92-T94 VanDerWaalsContact O-N 3.16Å; N92-T94 VanDerWaalsContact OD1-CB 3.26Å; N92-T94 WeakPolarHBondContact OD1-CB 3.45Å; N92-T94 PolarHBondContact OD1-N 2.8Å; T94-L98 HydrophobicContact CG2-CD1 4.08Å; T94-L98 WeakPolarHBondContact O-CB 3.38Å; T94-L98 WeakPolarHBondContact O-CG 3.09Å; T94-L98 PolarHBondContact O-N 2.98Å; T94-V164 HydrophobicContact CG2-CG1 4.3Å; T94-A210 HydrophobicContact CG2-CB 4.1Å; T94-S214 WeakPolarHBondContact OG1-CB 3.44Å; T94-S214 PolarHBondContact OG1-OG 3.41Å |
| 95 | V | 81 | Confident | 71.2 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -50.9 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | W91 N92 N97 L98 T99 V207 Y211 | W91-V95 HydrophobicContact CE3-CG1 4.3Å; W91-V95 HydrophobicContact CZ3-CG1 4.43Å; N92-V95 HydrophobicContact CB-CB 4.1Å; N92-V95 HydrophobicContact CB-CG2 3.91Å; N92-V95 CarbonylContact O-C 3.53Å; N92-V95 WeakPolarHBondContact O-CA 3.46Å; N92-V95 WeakPolarHBondContact O-CB 3.43Å; N92-V95 PolarHBondContact O-N 3.09Å; N92-V95 PolarHBondContact OD1-N 2.79Å; V95-N97 VanDerWaalsContact C-N 3.26Å; V95-N97 PolarHBondContact O-N 3.1Å; V95-L98 PolarHBondContact O-N 3.46Å; V95-L98 VanDerWaalsContact O-N 3.13Å; V95-T99 HydrophobicContact CG1-CG2 4.08Å; V95-T99 WeakPolarHBondContact O-CB 3.42Å; V95-T99 WeakPolarHBondContact O-CG2 3.44Å; V95-T99 PolarHBondContact O-N 3.33Å; V95-T99 PolarHBondContact O-OG1 3.11Å; V95-V207 HydrophobicContact CB-CG1 4.45Å; V95-V207 HydrophobicContact CG1-CG1 3.88Å; V95-V207 HydrophobicContact CG2-CG1 4.16Å; V95-Y211 HydrophobicContact CG2-CD2 3.66Å; V95-Y211 HydrophobicContact CG2-CG 4.07Å |
| 96 | A | 76.5 | Confident | 72.7 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.5 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | T62 W91 N92 L100 M101 | T62-A96 HydrophobicContact CG2-CB 3.89Å; W91-A96 HydrophobicContact CB-CB 4.08Å; N92-A96 PolarHBondContact O-N 3.04Å; A96-L100 PolarHBondContact O-N 3.03Å; A96-M101 WeakPolarHBondContact O-CB 3.43Å; A96-M101 WeakPolarHBondContact O-CG 3.48Å; A96-M101 PolarHBondContact O-N 2.93Å |
| 97 | N | 70.7 | Confident | 74.5 | Confident | 21 Ų | 21 | 27.9 Ų | 27.9 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -61.9 | -42.6 | 178.4 | -79.8 | -40.6 | 0 | 0 | 0 | 112.8 | P93 V95 M101 A102 R312 | P93-N97 WeakPolarHBondContact O-CB 2.93Å; P93-N97 PolarHBondContact O-N 2.68Å; P93-N97 PolarHBondContact O-ND2 2.84Å; V95-N97 VanDerWaalsContact C-N 3.26Å; V95-N97 PolarHBondContact O-N 3.1Å; N97-M101 HydrophobicContact CB-SD 4.41Å; N97-M101 PolarHBondContact OD1-SD 2.85Å; N97-A102 WeakPolarHBondContact O-CB 3.31Å; N97-A102 PolarHBondContact O-N 2.8Å; N97-R312 WeakPolarHBondContact OD1-CD 3.29Å |
| 98 | L | 75.5 | Confident | 76.1 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -86 | -18.8 | -177.5 | -70.8 | 173.2 | 0 | 0 | 0 | 113.9 | T94 V95 T168 A210 | T94-L98 HydrophobicContact CG2-CD1 4.08Å; T94-L98 WeakPolarHBondContact O-CB 3.38Å; T94-L98 WeakPolarHBondContact O-CG 3.09Å; T94-L98 PolarHBondContact O-N 2.98Å; V95-L98 PolarHBondContact O-N 3.46Å; V95-L98 VanDerWaalsContact O-N 3.13Å; L98-T168 HydrophobicContact CD1-CG2 4.1Å; L98-T168 HydrophobicContact CD2-CG2 3.81Å; L98-A210 HydrophobicContact CD1-CB 3.18Å |
| 99 | T | 82.1 | Confident | 77.8 | Confident | 22 Ų | 22 | 25 Ų | 25 | 14% | 0.135 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -100.7 | -93 | 179.1 | 63 | 0 | 0 | 0 | 0 | 111.6 | V95 M101 A102 L103 F203 V207 | V95-T99 HydrophobicContact CG1-CG2 4.08Å; V95-T99 WeakPolarHBondContact O-CB 3.42Å; V95-T99 WeakPolarHBondContact O-CG2 3.44Å; V95-T99 PolarHBondContact O-N 3.33Å; V95-T99 PolarHBondContact O-OG1 3.11Å; T99-M101 PolarHBondContact O-N 3.16Å; T99-A102 PolarHBondContact O-N 2.93Å; T99-L103 VanDerWaalsContact O-CB 3.25Å; T99-L103 WeakPolarHBondContact O-CB 3.18Å; T99-L103 PolarHBondContact O-N 2.9Å; T99-F203 HydrophobicContact CG2-CE1 4.45Å; T99-F203 HydrophobicContact CG2-CZ 3.95Å; T99-V207 HydrophobicContact CG2-CB 4.39Å; T99-V207 HydrophobicContact CG2-CG1 3.88Å; T99-V207 HydrophobicContact CG2-CG2 3.55Å |
| 100 | L | 78.6 | Confident | 79 | Confident | 22 Ų | 22 | 21.1 Ų | 21.1 | 12% | 0.115 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -65.3 | -38.8 | -171.2 | -67.9 | 174.4 | 0 | 0 | 0 | 111.9 | I58 I61 T62 W91 A96 L103 G104 F715 | I58-L100 VanDerWaalsContact CD1-O 3.24Å; I58-L100 WeakPolarHBondContact CD1-O 3.2Å; I58-L100 HydrophobicContact CG1-CB 4.44Å; I58-L100 HydrophobicContact CG2-CB 3.66Å; I61-L100 HydrophobicContact CG2-CD1 4.04Å; T62-L100 HydrophobicContact CG2-CB 4.27Å; T62-L100 HydrophobicContact CG2-CD1 3.86Å; W91-L100 HydrophobicContact CH2-CD1 3.92Å; W91-L100 HydrophobicContact CZ2-CD1 3.87Å; W91-L100 HydrophobicContact CZ3-CD1 4.33Å; A96-L100 PolarHBondContact O-N 3.03Å; L100-L103 HydrophobicContact CD2-CD2 4.43Å; L100-L103 WeakPolarHBondContact O-CB 3.37Å; L100-G104 PolarHBondContact O-N 2.78Å; L100-F715 HydrophobicContact CD2-CE2 4.33Å |
| 101 | M | 73.6 | Confident | 79.9 | Confident | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -71.7 | -40.4 | -179.2 | -64 | -178.2 | 169.6 | 0 | 0 | 112.1 | I58 A96 N97 T99 G104 D311 L313 R316 | I58-M101 HydrophobicContact CG2-CG 4.07Å; A96-M101 WeakPolarHBondContact O-CB 3.43Å; A96-M101 WeakPolarHBondContact O-CG 3.48Å; A96-M101 PolarHBondContact O-N 2.93Å; N97-M101 HydrophobicContact CB-SD 4.41Å; N97-M101 PolarHBondContact OD1-SD 2.85Å; T99-M101 PolarHBondContact O-N 3.16Å; M101-G104 WeakPolarHBondContact O-CA 3.41Å; M101-G104 PolarHBondContact O-N 2.93Å; M101-D311 HydrophobicContact CE-CB 4.47Å; M101-L313 HydrophobicContact CE-CB 3.63Å; M101-L313 HydrophobicContact CE-CD2 3.72Å; M101-L313 HydrophobicContact CE-CG 4.35Å; M101-L313 HydrophobicContact CG-CB 4.23Å; M101-L313 HydrophobicContact CG-CD1 4.47Å; M101-L313 HydrophobicContact CG-CD2 4.2Å; M101-L313 HydrophobicContact SD-CB 3.85Å; M101-L313 HydrophobicContact SD-CD2 4.49Å; M101-R316 PolarHBondContact O-NH1 3.07Å |
| 102 | A | 77.7 | Confident | 81.1 | Confident | 3 Ų | 3 | 14.5 Ų | 14.5 | 3% | 0.025 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.2 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | N97 T99 G104 S105 S106 V787 | N97-A102 WeakPolarHBondContact O-CB 3.31Å; N97-A102 PolarHBondContact O-N 2.8Å; T99-A102 PolarHBondContact O-N 2.93Å; A102-G104 VanDerWaalsContact C-N 3.27Å; A102-G104 PolarHBondContact O-N 2.81Å; A102-S105 PolarHBondContact O-N 2.67Å; A102-S105 PolarHBondContact O-OG 2.95Å; A102-S105 VanDerWaalsContact O-OG 3.07Å; A102-S106 WeakPolarHBondContact O-CB 3.26Å; A102-S106 PolarHBondContact O-N 3.14Å; A102-S106 PolarHBondContact O-OG 3.11Å; A102-V787 HydrophobicContact CB-CB 4.38Å; A102-V787 HydrophobicContact CB-CG2 3.64Å |
| 103 | L | 81.9 | Confident | 82 | Confident | 36 Ų | 36 | 13 Ų | 13 | 19% | 0.188 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 168 | 177.3 | 71.5 | 0 | 0 | 0 | 110.9 | F54 T99 L100 S105 S106 A107 I110 F715 L791 | F54-L103 HydrophobicContact CZ-CD2 4.41Å; T99-L103 VanDerWaalsContact O-CB 3.25Å; T99-L103 WeakPolarHBondContact O-CB 3.18Å; T99-L103 PolarHBondContact O-N 2.9Å; L100-L103 HydrophobicContact CD2-CD2 4.43Å; L100-L103 WeakPolarHBondContact O-CB 3.37Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 2.79Å; L103-S106 PolarHBondContact O-N 2.75Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 2.82Å; L103-I110 HydrophobicContact CD1-CD1 3.65Å; L103-F715 HydrophobicContact CD2-CZ 4.24Å; L103-L791 HydrophobicContact CD1-CD2 3.63Å |
| 104 | G | 78.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -42.7 | -50.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M55 L100 M101 A102 | M55-G104 WeakPolarHBondContact CE-O 3.06Å; L100-G104 PolarHBondContact O-N 2.78Å; M101-G104 WeakPolarHBondContact O-CA 3.41Å; M101-G104 PolarHBondContact O-N 2.93Å; A102-G104 VanDerWaalsContact C-N 3.27Å; A102-G104 PolarHBondContact O-N 2.81Å |
| 105 | S | 78.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 12.6 Ų | 12.6 | 6% | 0.056 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -83.6 | -30.8 | -174.7 | 57 | 0 | 0 | 0 | 0 | 113.1 | M55 A102 L103 A107 P108 R316 D760 | M55-S105 VanDerWaalsContact CE-CA 3.5Å; A102-S105 PolarHBondContact O-N 2.67Å; A102-S105 PolarHBondContact O-OG 2.95Å; A102-S105 VanDerWaalsContact O-OG 3.07Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 2.79Å; S105-A107 VanDerWaalsContact C-N 3.31Å; S105-P108 WeakPolarHBondContact O-CD 2.91Å; S105-R316 VanDerWaalsContact CB-NH1 3.25Å; S105-R316 PolarHBondContact OG-NH1 2.99Å; S105-R316 PolarHBondContact OG-NH2 2.95Å; S105-D760 WeakPolarHBondContact CB-OD1 3.39Å; S105-D760 VanDerWaalsContact CB-OD2 3.32Å; S105-D760 WeakPolarHBondContact CB-OD2 3.32Å; S105-D760 PolarHBondContact OG-OD2 3.36Å |
| 106 | S | 88 | Confident | 84.7 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -89.7 | -3.2 | -174.3 | -43.1 | 0 | 0 | 0 | 0 | 111.7 | A102 L103 P108 E109 I110 S784 N788 | A102-S106 WeakPolarHBondContact O-CB 3.26Å; A102-S106 PolarHBondContact O-N 3.14Å; A102-S106 PolarHBondContact O-OG 3.11Å; L103-S106 PolarHBondContact O-N 2.75Å; S106-P108 VanDerWaalsContact C-CD 3.49Å; S106-E109 VanDerWaalsContact C-OE2 3.25Å; S106-E109 VanDerWaalsContact CA-OE2 3.27Å; S106-E109 WeakPolarHBondContact CA-OE2 3.14Å; S106-E109 PolarHBondContact O-N 2.93Å; S106-I110 WeakPolarHBondContact O-CB 3.25Å; S106-I110 WeakPolarHBondContact O-CD1 3.38Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 3.48Å; S106-S784 PolarHBondContact OG-OG 3.44Å; S106-N788 WeakPolarHBondContact CB-OD1 3.38Å; S106-N788 PolarHBondContact OG-OD1 3.49Å; S106-N788 VanDerWaalsContact OG-OD1 3.04Å |
| 107 | A | 89.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.5 | -43 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | F54 L103 S105 E109 I110 L111 L719 | F54-A107 HydrophobicContact CD1-CB 4.19Å; F54-A107 HydrophobicContact CE1-CB 3.76Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 2.82Å; S105-A107 VanDerWaalsContact C-N 3.31Å; A107-E109 PolarHBondContact O-N 2.8Å; A107-I110 PolarHBondContact O-N 2.96Å; A107-L111 VanDerWaalsContact O-CB 3.23Å; A107-L111 WeakPolarHBondContact O-CB 3.14Å; A107-L111 WeakPolarHBondContact O-CD1 3.29Å; A107-L111 VanDerWaalsContact O-CG 3.25Å; A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 3.4Å; A107-L719 HydrophobicContact CB-CD1 4.3Å |
| 108 | P | 88.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 177 | -24.3 | 35.9 | 0 | 0 | 0 | 113.3 | V47 S105 S106 L112 I722 T726 T756 | V47-P108 HydrophobicContact CG1-CB 3.72Å; V47-P108 HydrophobicContact CG1-CG 3.42Å; V47-P108 VanDerWaalsContact CG1-CG 3.42Å; S105-P108 WeakPolarHBondContact O-CD 2.91Å; S106-P108 VanDerWaalsContact C-CD 3.49Å; P108-L112 VanDerWaalsContact O-CB 3.22Å; P108-L112 WeakPolarHBondContact O-CB 3.21Å; P108-L112 PolarHBondContact O-N 2.95Å; P108-I722 HydrophobicContact CG-CG2 4.24Å; P108-T726 HydrophobicContact CB-CG2 3.92Å; P108-T726 WeakPolarHBondContact O-CG2 3.49Å; P108-T756 HydrophobicContact CB-CG2 4.09Å |
| 109 | E | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69 | -44.4 | 179.6 | -64.3 | 84.4 | 171 | 0 | 0 | 112 | S106 A107 L112 S113 T131 I132 T756 | S106-E109 VanDerWaalsContact C-OE2 3.25Å; S106-E109 VanDerWaalsContact CA-OE2 3.27Å; S106-E109 WeakPolarHBondContact CA-OE2 3.14Å; S106-E109 PolarHBondContact O-N 2.93Å; A107-E109 PolarHBondContact O-N 2.8Å; E109-L112 PolarHBondContact O-N 3.37Å; E109-S113 PolarHBondContact O-N 2.87Å; E109-T131 HydrophobicContact CG-CG2 3.94Å; E109-I132 HydrophobicContact CB-CG1 4.17Å; E109-T756 VanDerWaalsContact CD-OG1 3.32Å; E109-T756 WeakPolarHBondContact OE1-CB 3.5Å; E109-T756 PolarHBondContact OE1-OG1 3.26Å |
| 110 | I | 92 | Very high | 87.4 | Confident | 9 Ų | 9 | 20.7 Ų | 20.7 | 5% | 0.046 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 177.9 | -63.7 | 163.9 | 0 | 0 | 0 | 109.7 | L103 S106 A107 S113 I114 V787 L791 | L103-I110 HydrophobicContact CD1-CD1 3.65Å; S106-I110 WeakPolarHBondContact O-CB 3.25Å; S106-I110 WeakPolarHBondContact O-CD1 3.38Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 3.48Å; A107-I110 PolarHBondContact O-N 2.96Å; I110-S113 PolarHBondContact O-N 2.96Å; I110-I114 HydrophobicContact CG2-CD1 3.8Å; I110-I114 VanDerWaalsContact O-CG1 3.3Å; I110-I114 WeakPolarHBondContact O-CG1 3.39Å; I110-I114 PolarHBondContact O-N 3.23Å; I110-V787 HydrophobicContact CD1-CG1 4.16Å; I110-L791 HydrophobicContact CD1-CD2 4.23Å |
| 111 | L | 93.1 | Very high | 88 | Confident | 27 Ų | 27 | 21.4 Ų | 21.4 | 14% | 0.141 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.6 | -40.6 | -179.2 | -73.4 | 166.7 | 0 | 0 | 0 | 111.6 | A107 S113 I114 I115 L719 I722 T726 | A107-L111 VanDerWaalsContact O-CB 3.23Å; A107-L111 WeakPolarHBondContact O-CB 3.14Å; A107-L111 WeakPolarHBondContact O-CD1 3.29Å; A107-L111 VanDerWaalsContact O-CG 3.25Å; A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 2.99Å; L111-I114 PolarHBondContact O-N 3.47Å; L111-I115 HydrophobicContact CB-CD1 4.41Å; L111-I115 WeakPolarHBondContact O-CB 3.48Å; L111-I115 WeakPolarHBondContact O-CD1 3.41Å; L111-I115 WeakPolarHBondContact O-CG1 3.23Å; L111-I115 PolarHBondContact O-N 3.09Å; L111-L719 HydrophobicContact CD1-CD1 3.76Å; L111-L719 HydrophobicContact CD1-CG 4.39Å; L111-L719 HydrophobicContact CG-CD1 4.49Å; L111-I722 HydrophobicContact CD1-CB 3.91Å; L111-I722 HydrophobicContact CD1-CG2 3.54Å; L111-T726 HydrophobicContact CB-CG2 4.49Å |
| 112 | L | 92.9 | Very high | 88.9 | Confident | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.7 | -46.9 | 173 | -176.5 | 70.6 | 0 | 0 | 0 | 111.1 | P108 E109 I114 I115 E116 L127 T131 T726 V752 | P108-L112 VanDerWaalsContact O-CB 3.22Å; P108-L112 WeakPolarHBondContact O-CB 3.21Å; P108-L112 PolarHBondContact O-N 2.95Å; E109-L112 PolarHBondContact O-N 3.37Å; L112-I114 PolarHBondContact O-N 3.44Å; L112-I115 PolarHBondContact O-N 3.01Å; L112-E116 WeakPolarHBondContact O-CB 3.39Å; L112-E116 PolarHBondContact O-N 3.02Å; L112-L127 HydrophobicContact CD1-CD2 4.2Å; L112-L127 HydrophobicContact CD2-CD2 4.39Å; L112-L127 HydrophobicContact CD2-CG 4.49Å; L112-T131 HydrophobicContact CD2-CG2 4.05Å; L112-T726 WeakPolarHBondContact CD1-O 3.45Å; L112-V752 HydrophobicContact CD2-CG1 3.74Å |
| 113 | S | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -35.7 | 178.9 | -170.1 | 0 | 0 | 0 | 0 | 113.1 | E109 I110 L111 I117 P796 | E109-S113 PolarHBondContact O-N 2.87Å; I110-S113 PolarHBondContact O-N 2.96Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 2.99Å; S113-I117 WeakPolarHBondContact O-CG1 3.29Å; S113-I117 PolarHBondContact O-N 3.48Å; S113-P796 WeakPolarHBondContact OG-CG 3.26Å |
| 114 | I | 93.3 | Very high | 90 | Very high | 30 Ų | 30 | 29 Ų | 29 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -46.9 | 175.1 | -69.4 | 166.6 | 0 | 0 | 0 | 110.8 | I110 L111 L112 I117 I118 L795 P796 | I110-I114 HydrophobicContact CG2-CD1 3.8Å; I110-I114 VanDerWaalsContact O-CG1 3.3Å; I110-I114 WeakPolarHBondContact O-CG1 3.39Å; I110-I114 PolarHBondContact O-N 3.23Å; L111-I114 PolarHBondContact O-N 3.47Å; L112-I114 PolarHBondContact O-N 3.44Å; I114-I117 PolarHBondContact O-N 3.41Å; I114-I118 HydrophobicContact CG2-CD1 3.7Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CG1 3.4Å; I114-I118 PolarHBondContact O-N 2.7Å; I114-L795 HydrophobicContact CD1-CD2 3.93Å; I114-L795 HydrophobicContact CD1-CG 4.5Å; I114-P796 HydrophobicContact CG1-CB 3.92Å; I114-P796 HydrophobicContact CG1-CG 4.28Å |
| 115 | I | 92.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 29.5 Ų | 29.5 | 19% | 0.185 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | -177.8 | -69.6 | 162.2 | 0 | 0 | 0 | 110.7 | L17 L111 L112 I118 G119 G723 T726 A727 | L17-I115 HydrophobicContact CD2-CG2 4.1Å; L111-I115 HydrophobicContact CB-CD1 4.41Å; L111-I115 WeakPolarHBondContact O-CB 3.48Å; L111-I115 WeakPolarHBondContact O-CD1 3.41Å; L111-I115 WeakPolarHBondContact O-CG1 3.23Å; L111-I115 PolarHBondContact O-N 3.09Å; L112-I115 PolarHBondContact O-N 3.01Å; I115-I118 PolarHBondContact O-N 3.46Å; I115-G119 WeakPolarHBondContact O-CA 3.45Å; I115-G119 PolarHBondContact O-N 2.85Å; I115-G723 WeakPolarHBondContact CD1-O 3.28Å; I115-T726 WeakPolarHBondContact CD1-OG1 3.4Å; I115-A727 HydrophobicContact CD1-CB 4.24Å; I115-A727 HydrophobicContact CG2-CB 3.87Å |
| 116 | E | 92.1 | Very high | 91.1 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 175.8 | -178.7 | -176.6 | 54.6 | 0 | 0 | 111.5 | L112 I118 G119 N120 G125 D126 L127 G128 P129 | L112-E116 WeakPolarHBondContact O-CB 3.39Å; L112-E116 PolarHBondContact O-N 3.02Å; E116-I118 PolarHBondContact O-N 3.18Å; E116-G119 PolarHBondContact O-N 2.91Å; E116-N120 WeakPolarHBondContact CG-ND2 3.45Å; E116-N120 VanDerWaalsContact O-CB 3.26Å; E116-N120 WeakPolarHBondContact O-CB 3.31Å; E116-N120 PolarHBondContact O-N 2.93Å; E116-N120 PolarHBondContact O-ND2 2.84Å; E116-G125 VanDerWaalsContact CD-CA 3.48Å; E116-G125 WeakPolarHBondContact OE2-CA 3.44Å; E116-D126 PolarHBondContact OE2-N 3.45Å; E116-L127 WeakPolarHBondContact OE2-CA 3.42Å; E116-L127 WeakPolarHBondContact OE2-CB 3.11Å; E116-L127 PolarHBondContact OE2-N 2.93Å; E116-G128 VanDerWaalsContact CD-N 3.32Å; E116-G128 VanDerWaalsContact OE1-CA 3.31Å; E116-G128 WeakPolarHBondContact OE1-CA 3.44Å; E116-G128 PolarHBondContact OE1-N 2.81Å; E116-G128 PolarHBondContact OE2-N 3.36Å; E116-P129 WeakPolarHBondContact OE1-CD 3.38Å |
| 117 | I | 92.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 178.5 | -72.3 | -164.3 | 0 | 0 | 0 | 110.9 | S113 I114 F122 P796 A800 F811 | S113-I117 WeakPolarHBondContact O-CG1 3.29Å; S113-I117 PolarHBondContact O-N 3.48Å; I114-I117 PolarHBondContact O-N 3.41Å; I117-F122 HydrophobicContact CG2-CB 4.43Å; I117-F122 HydrophobicContact CG2-CD1 4.06Å; I117-F122 WeakPolarHBondContact O-CA 3.45Å; I117-F122 PolarHBondContact O-N 3.28Å; I117-P796 HydrophobicContact CD1-CB 3.69Å; I117-P796 HydrophobicContact CG1-CB 4.37Å; I117-A800 HydrophobicContact CD1-CB 4.22Å; I117-A800 HydrophobicContact CG2-CB 3.83Å; I117-F811 HydrophobicContact CD1-CZ 4.08Å |
| 118 | I | 92.3 | Very high | 91.4 | Very high | 96 Ų | 96 | 33.3 Ų | 33.3 | 49% | 0.492 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.5 | -45.3 | 179.7 | -66.8 | 171.5 | 0 | 0 | 0 | 110.5 | I114 I115 E116 N120 G121 F122 | I114-I118 HydrophobicContact CG2-CD1 3.7Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CG1 3.4Å; I114-I118 PolarHBondContact O-N 2.7Å; I115-I118 PolarHBondContact O-N 3.46Å; E116-I118 PolarHBondContact O-N 3.18Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 3.07Å; I118-G121 PolarHBondContact O-N 2.99Å; I118-G121 VanDerWaalsContact O-N 3.17Å; I118-F122 HydrophobicContact CG1-CE1 4.46Å |
| 119 | G | 87.8 | Confident | 91.6 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I115 E116 G121 | I115-G119 WeakPolarHBondContact O-CA 3.45Å; I115-G119 PolarHBondContact O-N 2.85Å; E116-G119 PolarHBondContact O-N 2.91Å; G119-G121 PolarHBondContact O-N 2.99Å |
| 120 | N | 88.2 | Confident | 91.7 | Very high | 83 Ų | 83 | 33.6 Ų | 33.6 | 44% | 0.444 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 15 | 177.5 | -68.9 | -21.5 | 0 | 0 | 0 | 113.7 | E116 I118 K123 | E116-N120 WeakPolarHBondContact CG-ND2 3.45Å; E116-N120 VanDerWaalsContact O-CB 3.26Å; E116-N120 WeakPolarHBondContact O-CB 3.31Å; E116-N120 PolarHBondContact O-N 2.93Å; E116-N120 PolarHBondContact O-ND2 2.84Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 3.07Å; N120-K123 HydrophobicContact CB-CB 4.38Å; N120-K123 WeakPolarHBondContact O-CB 3.46Å; N120-K123 WeakPolarHBondContact O-CG 3.08Å; N120-K123 PolarHBondContact O-N 2.62Å |
| 121 | G | 90.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 38% | 0.381 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 41.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | I118 G119 K123 | I118-G121 PolarHBondContact O-N 2.99Å; I118-G121 VanDerWaalsContact O-N 3.17Å; G119-G121 PolarHBondContact O-N 2.99Å; G121-K123 PolarHBondContact O-N 3.29Å |
| 122 | F | 92.8 | Very high | 91.9 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 20% | 0.197 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 14.2 | -175.2 | -59.3 | -91.7 | 0 | 0 | 0 | 115.1 | I117 I118 I799 Y803 W804 F811 | I117-F122 HydrophobicContact CG2-CB 4.43Å; I117-F122 HydrophobicContact CG2-CD1 4.06Å; I117-F122 WeakPolarHBondContact O-CA 3.45Å; I117-F122 PolarHBondContact O-N 3.28Å; I118-F122 HydrophobicContact CG1-CE1 4.46Å; F122-I799 HydrophobicContact CD1-CG2 4.28Å; F122-I799 HydrophobicContact CE1-CG2 3.75Å; F122-Y803 HydrophobicContact CB-CD1 3.44Å; F122-Y803 VanDerWaalsContact CB-CD1 3.44Å; F122-Y803 HydrophobicContact CB-CE1 3.76Å; F122-Y803 HydrophobicContact CB-CG 3.96Å; F122-Y803 HydrophobicContact CD1-CD1 4.33Å; F122-Y803 HydrophobicContact CD1-CD2 4.34Å; F122-Y803 AromaticContact CD1-CG 3.96Å; F122-Y803 HydrophobicContact CD1-CG 3.96Å; F122-Y803 AromaticContact CD2-CD1 3.76Å; F122-Y803 HydrophobicContact CD2-CD1 3.76Å; F122-Y803 AromaticContact CD2-CD2 3.71Å; F122-Y803 HydrophobicContact CD2-CD2 3.71Å; F122-Y803 AromaticContact CD2-CE1 3.63Å; F122-Y803 HydrophobicContact CD2-CE1 3.63Å; F122-Y803 AromaticContact CD2-CE2 3.56Å; F122-Y803 HydrophobicContact CD2-CE2 3.56Å; F122-Y803 AromaticContact CD2-CG 3.77Å; F122-Y803 HydrophobicContact CD2-CG 3.77Å; F122-Y803 AromaticContact CD2-CZ 3.48Å; F122-Y803 VanDerWaalsContact CD2-CZ 3.48Å; F122-Y803 HydrophobicContact CE1-CD2 4.38Å; F122-Y803 HydrophobicContact CE1-CG 4.41Å; F122-Y803 AromaticContact CE2-CD2 3.77Å; F122-Y803 HydrophobicContact CE2-CD2 3.77Å; F122-Y803 AromaticContact CE2-CE2 3.62Å; F122-Y803 HydrophobicContact CE2-CE2 3.62Å; F122-Y803 HydrophobicContact CE2-CG 4.24Å; F122-Y803 AromaticContact CE2-CZ 3.98Å; F122-Y803 AromaticContact CG-CD1 3.58Å; F122-Y803 HydrophobicContact CG-CD1 3.58Å; F122-Y803 HydrophobicContact CG-CD2 4.01Å; F122-Y803 AromaticContact CG-CE1 3.89Å; F122-Y803 HydrophobicContact CG-CE1 3.89Å; F122-Y803 HydrophobicContact CG-CE2 4.28Å; F122-Y803 AromaticContact CG-CG 3.61Å; F122-Y803 HydrophobicContact CG-CG 3.61Å; F122-Y803 HydrophobicContact CZ-CD2 4.11Å; F122-Y803 HydrophobicContact CZ-CE2 4.37Å; F122-W804 PolarHBondContact O-NE1 3.18Å; F122-F811 WeakPolarHBondContact O-CE2 3.45Å |
| 123 | K | 92.7 | Very high | 91.9 | Very high | 132 Ų | 132 | 31.7 Ų | 31.7 | 57% | 0.574 | 18% | 0.183 | S | C | * | . | trans | -81.8 | 148.9 | 170.2 | -62.7 | 178.4 | -177.5 | 175.1 | 0 | 110.2 | N120 G121 G125 W804 | N120-K123 HydrophobicContact CB-CB 4.38Å; N120-K123 WeakPolarHBondContact O-CB 3.46Å; N120-K123 WeakPolarHBondContact O-CG 3.08Å; N120-K123 PolarHBondContact O-N 2.62Å; G121-K123 PolarHBondContact O-N 3.29Å; K123-G125 PolarHBondContact O-N 2.83Å; K123-W804 HydrophobicContact CG-CZ2 3.98Å | ||
| 124 | A | 90.4 | Very high | 92 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 24% | 0.24 | 18% | 0.183 | C | C | . | . | trans | -66.9 | 130.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | F811 V813 | A124-F811 HydrophobicContact CB-CE2 3.91Å; A124-F811 HydrophobicContact CB-CZ 3.8Å; A124-V813 HydrophobicContact CB-CB 4.43Å; A124-V813 HydrophobicContact CB-CG1 4.34Å; A124-V813 HydrophobicContact CB-CG2 4.08Å | ||
| 125 | G | 89 | Confident | 92 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | trans | -105.6 | 168.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E116 K123 P129 | E116-G125 VanDerWaalsContact CD-CA 3.48Å; E116-G125 WeakPolarHBondContact OE2-CA 3.44Å; K123-G125 PolarHBondContact O-N 2.83Å; G125-P129 VanDerWaalsContact O-CD 3.23Å; G125-P129 WeakPolarHBondContact O-CD 3.44Å; G125-P129 WeakPolarHBondContact O-CG 3.24Å | ||
| 126 | D | 90.6 | Very high | 92.1 | Very high | 84 Ų | 84 | 28.5 Ų | 28.5 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -92.6 | -22.2 | -178.5 | -66.4 | -32.8 | 0 | 0 | 0 | 112.6 | E116 G130 A744 | E116-D126 PolarHBondContact OE2-N 3.45Å; D126-G130 WeakPolarHBondContact O-CA 3.16Å; D126-G130 PolarHBondContact O-N 2.87Å; D126-A744 HydrophobicContact CB-CB 4.21Å |
| 127 | L | 90.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74 | -45.9 | -171.5 | -164 | 80.2 | 0 | 0 | 0 | 111.3 | L112 E116 T131 A733 A748 V752 | L112-L127 HydrophobicContact CD1-CD2 4.2Å; L112-L127 HydrophobicContact CD2-CD2 4.39Å; L112-L127 HydrophobicContact CD2-CG 4.49Å; E116-L127 WeakPolarHBondContact OE2-CA 3.42Å; E116-L127 WeakPolarHBondContact OE2-CB 3.11Å; E116-L127 PolarHBondContact OE2-N 2.93Å; L127-T131 VanDerWaalsContact O-CB 3.24Å; L127-T131 WeakPolarHBondContact O-CB 3.36Å; L127-T131 PolarHBondContact O-N 3.47Å; L127-T131 PolarHBondContact O-OG1 3.22Å; L127-A733 HydrophobicContact CD1-CB 4.18Å; L127-A733 HydrophobicContact CD2-CB 4.39Å; L127-A748 HydrophobicContact CD1-CB 3.99Å; L127-A748 HydrophobicContact CG-CB 4.46Å; L127-A748 WeakPolarHBondContact O-CB 3.12Å; L127-V752 HydrophobicContact CD1-CG2 4.29Å |
| 128 | G | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -59.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E116 G130 T131 I132 | E116-G128 VanDerWaalsContact CD-N 3.32Å; E116-G128 VanDerWaalsContact OE1-CA 3.31Å; E116-G128 WeakPolarHBondContact OE1-CA 3.44Å; E116-G128 PolarHBondContact OE1-N 2.81Å; E116-G128 PolarHBondContact OE2-N 3.36Å; G128-G130 VanDerWaalsContact C-N 3.35Å; G128-G130 PolarHBondContact O-N 3.31Å; G128-T131 PolarHBondContact O-N 2.87Å; G128-I132 PolarHBondContact O-N 2.88Å |
| 129 | P | 93.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.7 | -23.8 | 34.3 | 0 | 0 | 0 | 113.8 | E116 G125 T131 I132 V133 L793 W797 L818 | E116-P129 WeakPolarHBondContact OE1-CD 3.38Å; G125-P129 VanDerWaalsContact O-CD 3.23Å; G125-P129 WeakPolarHBondContact O-CD 3.44Å; G125-P129 WeakPolarHBondContact O-CG 3.24Å; P129-T131 VanDerWaalsContact C-N 3.33Å; P129-T131 PolarHBondContact O-N 2.93Å; P129-I132 PolarHBondContact O-N 2.64Å; P129-V133 WeakPolarHBondContact O-CG2 3.41Å; P129-V133 PolarHBondContact O-N 3.26Å; P129-V133 VanDerWaalsContact O-N 3.07Å; P129-L793 HydrophobicContact CB-CD2 3.9Å; P129-L793 HydrophobicContact CG-CD2 3.9Å; P129-W797 HydrophobicContact CB-CZ2 4.34Å; P129-W797 HydrophobicContact CG-CZ2 4.15Å; P129-L818 HydrophobicContact CB-CD1 3.77Å; P129-L818 HydrophobicContact CB-CD2 3.74Å; P129-L818 HydrophobicContact CB-CG 4.42Å |
| 130 | G | 93.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 22 Ų | 22 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D126 G128 G134 I749 | D126-G130 WeakPolarHBondContact O-CA 3.16Å; D126-G130 PolarHBondContact O-N 2.87Å; G128-G130 VanDerWaalsContact C-N 3.35Å; G128-G130 PolarHBondContact O-N 3.31Å; G130-G134 PolarHBondContact O-N 2.81Å; G130-I749 WeakPolarHBondContact O-CG2 3.39Å |
| 131 | T | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | E109 L112 L127 G128 P129 V133 G134 S135 V752 | E109-T131 HydrophobicContact CG-CG2 3.94Å; L112-T131 HydrophobicContact CD2-CG2 4.05Å; L127-T131 VanDerWaalsContact O-CB 3.24Å; L127-T131 WeakPolarHBondContact O-CB 3.36Å; L127-T131 PolarHBondContact O-N 3.47Å; L127-T131 PolarHBondContact O-OG1 3.22Å; G128-T131 PolarHBondContact O-N 2.87Å; P129-T131 VanDerWaalsContact C-N 3.33Å; P129-T131 PolarHBondContact O-N 2.93Å; T131-V133 PolarHBondContact O-N 2.75Å; T131-G134 PolarHBondContact O-N 3.36Å; T131-S135 VanDerWaalsContact O-CB 3.31Å; T131-S135 WeakPolarHBondContact O-CB 3.27Å; T131-S135 PolarHBondContact O-N 3.1Å; T131-S135 PolarHBondContact O-OG 3.47Å; T131-S135 VanDerWaalsContact O-OG 3.06Å; T131-V752 HydrophobicContact CG2-CB 4.32Å; T131-V752 HydrophobicContact CG2-CG1 3.73Å; T131-V752 WeakPolarHBondContact OG1-CG1 3.44Å |
| 132 | I | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 179.3 | -79.8 | 168.5 | 0 | 0 | 0 | 112.3 | E109 G128 P129 A136 N788 G792 L793 | E109-I132 HydrophobicContact CB-CG1 4.17Å; G128-I132 PolarHBondContact O-N 2.88Å; P129-I132 PolarHBondContact O-N 2.64Å; I132-A136 WeakPolarHBondContact O-CB 3.29Å; I132-A136 PolarHBondContact O-N 2.99Å; I132-N788 HydrophobicContact CG2-CB 3.94Å; I132-G792 VanDerWaalsContact CD1-C 3.41Å; I132-G792 WeakPolarHBondContact CD1-O 3.23Å; I132-L793 HydrophobicContact CB-CG 4.36Å; I132-L793 HydrophobicContact CD1-CD2 3.74Å; I132-L793 HydrophobicContact CD1-CG 3.66Å; I132-L793 HydrophobicContact CG2-CD1 3.83Å; I132-L793 HydrophobicContact CG2-CG 3.89Å |
| 133 | V | 94.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -73.8 | -39 | 179.7 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | P129 T131 A136 A137 Y176 L818 V822 F825 Y871 | P129-V133 WeakPolarHBondContact O-CG2 3.41Å; P129-V133 PolarHBondContact O-N 3.26Å; P129-V133 VanDerWaalsContact O-N 3.07Å; T131-V133 PolarHBondContact O-N 2.75Å; V133-A136 WeakPolarHBondContact O-CB 3.4Å; V133-A136 PolarHBondContact O-N 2.76Å; V133-A137 PolarHBondContact O-N 2.97Å; V133-Y176 HydrophobicContact CG2-CE1 4.46Å; V133-L818 HydrophobicContact CG2-CD1 3.85Å; V133-V822 HydrophobicContact CB-CG2 4.43Å; V133-V822 HydrophobicContact CG1-CG2 3.92Å; V133-V822 HydrophobicContact CG2-CG2 3.58Å; V133-F825 HydrophobicContact CG1-CB 4.41Å; V133-Y871 WeakPolarHBondContact CG1-OH 3.41Å |
| 134 | G | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G130 T131 A136 A137 F138 A753 | G130-G134 PolarHBondContact O-N 2.81Å; T131-G134 PolarHBondContact O-N 3.36Å; G134-A136 PolarHBondContact O-N 2.98Å; G134-A137 WeakPolarHBondContact O-CB 3.28Å; G134-A137 PolarHBondContact O-N 3.04Å; G134-F138 PolarHBondContact O-N 3.05Å; G134-A753 VanDerWaalsContact C-CB 3.42Å |
| 135 | S | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 177 | -67.5 | 0 | 0 | 0 | 0 | 110.7 | T131 F138 N139 A753 T756 S757 | T131-S135 VanDerWaalsContact O-CB 3.31Å; T131-S135 WeakPolarHBondContact O-CB 3.27Å; T131-S135 PolarHBondContact O-N 3.1Å; T131-S135 PolarHBondContact O-OG 3.47Å; T131-S135 VanDerWaalsContact O-OG 3.06Å; S135-F138 PolarHBondContact O-N 3.1Å; S135-N139 WeakPolarHBondContact O-CB 3.45Å; S135-N139 PolarHBondContact O-N 2.67Å; S135-N139 PolarHBondContact O-OD1 3.11Å; S135-A753 WeakPolarHBondContact OG-CA 3.28Å; S135-A753 PolarHBondContact OG-O 3.35Å; S135-T756 PolarHBondContact OG-OG1 3.35Å; S135-S757 VanDerWaalsContact CB-OG 3.31Å; S135-S757 WeakPolarHBondContact CB-OG 3.27Å; S135-S757 PolarHBondContact OG-OG 2.9Å |
| 136 | A | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I132 V133 G134 L140 Y176 N785 F825 | I132-A136 WeakPolarHBondContact O-CB 3.29Å; I132-A136 PolarHBondContact O-N 2.99Å; V133-A136 WeakPolarHBondContact O-CB 3.4Å; V133-A136 PolarHBondContact O-N 2.76Å; G134-A136 PolarHBondContact O-N 2.98Å; A136-L140 WeakPolarHBondContact O-CB 3.29Å; A136-L140 PolarHBondContact O-N 3.29Å; A136-Y176 HydrophobicContact CB-CE1 3.88Å; A136-Y176 HydrophobicContact CB-CE2 4.3Å; A136-Y176 VanDerWaalsContact CB-CZ 3.42Å; A136-Y176 WeakPolarHBondContact CB-OH 3.19Å; A136-N785 WeakPolarHBondContact CA-OD1 3.49Å; A136-N785 PolarHBondContact O-ND2 2.84Å; A136-F825 HydrophobicContact CB-CE1 4.29Å; A136-F825 HydrophobicContact CB-CE2 4.38Å; A136-F825 HydrophobicContact CB-CZ 3.98Å |
| 137 | A | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V133 G134 L140 F141 F825 Y871 | V133-A137 PolarHBondContact O-N 2.97Å; G134-A137 WeakPolarHBondContact O-CB 3.28Å; G134-A137 PolarHBondContact O-N 3.04Å; A137-L140 PolarHBondContact O-N 3.42Å; A137-F141 HydrophobicContact CB-CD2 4.14Å; A137-F141 HydrophobicContact CB-CE2 4.05Å; A137-F141 VanDerWaalsContact O-CB 3.22Å; A137-F141 WeakPolarHBondContact O-CB 3.5Å; A137-F141 WeakPolarHBondContact O-CD2 3.41Å; A137-F141 VanDerWaalsContact O-CG 3.27Å; A137-F141 WeakPolarHBondContact O-CG 3.3Å; A137-F141 PolarHBondContact O-N 2.99Å; A137-F825 VanDerWaalsContact CA-CE2 3.49Å; A137-F825 HydrophobicContact CB-CD2 3.72Å; A137-F825 HydrophobicContact CB-CE2 4.14Å; A137-Y871 HydrophobicContact CB-CD1 3.52Å; A137-Y871 HydrophobicContact CB-CD2 4.41Å; A137-Y871 HydrophobicContact CB-CE1 3.47Å; A137-Y871 VanDerWaalsContact CB-CE1 3.47Å; A137-Y871 HydrophobicContact CB-CE2 4.36Å; A137-Y871 HydrophobicContact CB-CG 4.02Å |
| 138 | F | 95.1 | Very high | 94.3 | Very high | 16 Ų | 16 | 4.5 Ų | 4.5 | 7% | 0.07 | 3% | 0.028 | C | C | . | . | I | π-helix | trans | -63 | -46.3 | 177.8 | -170.6 | -98.8 | 0 | 0 | 0 | 112 | G134 S135 A142 I143 L754 S757 T761 W868 | G134-F138 PolarHBondContact O-N 3.05Å; S135-F138 PolarHBondContact O-N 3.1Å; F138-A142 HydrophobicContact CD2-CB 3.62Å; F138-A142 HydrophobicContact CE2-CB 3.63Å; F138-A142 HydrophobicContact CG-CB 4.1Å; F138-A142 HydrophobicContact CZ-CB 4.13Å; F138-A142 WeakPolarHBondContact O-CA 3.49Å; F138-A142 WeakPolarHBondContact O-CB 3.3Å; F138-A142 PolarHBondContact O-N 3.21Å; F138-I143 HydrophobicContact CD1-CD1 4.39Å; F138-I143 HydrophobicContact CD1-CG1 4.13Å; F138-I143 HydrophobicContact CE1-CG1 4.15Å; F138-I143 PolarHBondContact O-N 3.37Å; F138-L754 HydrophobicContact CE2-CD1 3.94Å; F138-L754 HydrophobicContact CE2-CG 3.96Å; F138-L754 HydrophobicContact CZ-CD1 4.42Å; F138-L754 HydrophobicContact CZ-CG 4.06Å; F138-S757 VanDerWaalsContact CD1-CB 3.44Å; F138-T761 VanDerWaalsContact CE1-OG1 3.28Å; F138-T761 WeakPolarHBondContact CE1-OG1 3.42Å; F138-W868 HydrophobicContact CD2-CD2 4.22Å; F138-W868 AromaticContact CD2-CE2 3.54Å; F138-W868 HydrophobicContact CD2-CH2 4.46Å; F138-W868 AromaticContact CD2-CZ2 3.67Å; F138-W868 HydrophobicContact CD2-CZ2 3.67Å; F138-W868 AromaticContact CD2-NE1 3.6Å; F138-W868 HydrophobicContact CE2-CH2 4.37Å; F138-W868 AromaticContact CE2-CZ2 3.98Å; F138-W868 HydrophobicContact CE2-CZ2 3.98Å |
| 139 | N | 92.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -59.2 | -49.2 | 177.4 | -75.6 | -6.3 | 0 | 0 | 0 | 111.6 | S135 I143 V781 S784 N785 | S135-N139 WeakPolarHBondContact O-CB 3.45Å; S135-N139 PolarHBondContact O-N 2.67Å; S135-N139 PolarHBondContact O-OD1 3.11Å; N139-I143 HydrophobicContact CB-CD1 4.28Å; N139-I143 WeakPolarHBondContact O-CB 3.47Å; N139-I143 WeakPolarHBondContact OD1-CD1 3.39Å; N139-V781 VanDerWaalsContact C-CG1 3.47Å; N139-V781 HydrophobicContact CB-CG1 4.16Å; N139-V781 WeakPolarHBondContact O-CG1 3.26Å; N139-V781 WeakPolarHBondContact O-CG2 3.34Å; N139-S784 PolarHBondContact ND2-OG 3.12Å; N139-N785 VanDerWaalsContact CB-OD1 3.29Å; N139-N785 WeakPolarHBondContact CB-OD1 3.44Å; N139-N785 PolarHBondContact ND2-OD1 2.97Å |
| 140 | L | 93.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 7 Ų | 7 | 4% | 0.042 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -73.6 | -35.7 | -175.9 | -170.8 | 60.3 | 0 | 0 | 0 | 113 | A136 A137 T144 V781 F825 C832 | A136-L140 WeakPolarHBondContact O-CB 3.29Å; A136-L140 PolarHBondContact O-N 3.29Å; A137-L140 PolarHBondContact O-N 3.42Å; L140-T144 WeakPolarHBondContact O-CB 3.28Å; L140-T144 PolarHBondContact O-OG1 3.42Å; L140-V781 HydrophobicContact CB-CG1 4.46Å; L140-V781 HydrophobicContact CD1-CG1 4.16Å; L140-F825 HydrophobicContact CB-CE2 4.26Å; L140-F825 HydrophobicContact CD2-CE2 4.12Å; L140-F825 HydrophobicContact CD2-CZ 4.07Å; L140-C832 HydrophobicContact CD2-CB 4.42Å; L140-C832 HydrophobicContact CG-CB 4.38Å |
| 141 | F | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -97.9 | -61 | -172.7 | -56.5 | -32.1 | 0 | 0 | 0 | 112.5 | A137 A145 F825 L828 C832 L864 F867 W868 | A137-F141 HydrophobicContact CB-CD2 4.14Å; A137-F141 HydrophobicContact CB-CE2 4.05Å; A137-F141 VanDerWaalsContact O-CB 3.22Å; A137-F141 WeakPolarHBondContact O-CB 3.5Å; A137-F141 WeakPolarHBondContact O-CD2 3.41Å; A137-F141 VanDerWaalsContact O-CG 3.27Å; A137-F141 WeakPolarHBondContact O-CG 3.3Å; A137-F141 PolarHBondContact O-N 2.99Å; F141-A145 WeakPolarHBondContact O-CB 3.38Å; F141-A145 PolarHBondContact O-N 3.07Å; F141-F825 AromaticContact CE2-CD2 3.86Å; F141-F825 HydrophobicContact CE2-CD2 3.86Å; F141-F825 HydrophobicContact CE2-CE2 4.16Å; F141-F825 AromaticContact CZ-CD2 3.82Å; F141-F825 HydrophobicContact CZ-CD2 3.82Å; F141-F825 AromaticContact CZ-CE2 3.9Å; F141-F825 HydrophobicContact CZ-CE2 3.9Å; F141-L828 HydrophobicContact CE1-CB 4.18Å; F141-L828 HydrophobicContact CE2-CB 3.99Å; F141-L828 HydrophobicContact CE2-CD1 4.45Å; F141-L828 HydrophobicContact CZ-CB 3.44Å; F141-L828 VanDerWaalsContact CZ-CB 3.44Å; F141-C832 HydrophobicContact CD1-CB 3.94Å; F141-C832 HydrophobicContact CE1-CB 3.73Å; F141-L864 WeakPolarHBondContact CB-O 3.5Å; F141-F867 HydrophobicContact CD1-CB 4.26Å; F141-F867 HydrophobicContact CD1-CD2 4.49Å; F141-F867 HydrophobicContact CD2-CB 4.21Å; F141-F867 HydrophobicContact CE2-CB 4.49Å; F141-F867 HydrophobicContact CG-CB 4.11Å; F141-W868 HydrophobicContact CB-CB 3.89Å; F141-W868 HydrophobicContact CD2-CB 4.19Å |
| 142 | A | 95.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 3% | 0.033 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -72 | -46.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F138 T144 A145 V146 | F138-A142 HydrophobicContact CD2-CB 3.62Å; F138-A142 HydrophobicContact CE2-CB 3.63Å; F138-A142 HydrophobicContact CG-CB 4.1Å; F138-A142 HydrophobicContact CZ-CB 4.13Å; F138-A142 WeakPolarHBondContact O-CA 3.49Å; F138-A142 WeakPolarHBondContact O-CB 3.3Å; F138-A142 PolarHBondContact O-N 3.21Å; A142-T144 PolarHBondContact O-N 3Å; A142-A145 WeakPolarHBondContact O-CB 3.37Å; A142-A145 PolarHBondContact O-N 2.94Å; A142-V146 WeakPolarHBondContact O-CG2 3.42Å; A142-V146 PolarHBondContact O-N 2.91Å |
| 143 | I | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -64.8 | -42.4 | 178.7 | -57.4 | -174.1 | 0 | 0 | 0 | 110.8 | F138 N139 A145 V146 C147 D760 T761 S764 V781 | F138-I143 HydrophobicContact CD1-CD1 4.39Å; F138-I143 HydrophobicContact CD1-CG1 4.13Å; F138-I143 HydrophobicContact CE1-CG1 4.15Å; F138-I143 PolarHBondContact O-N 3.37Å; N139-I143 HydrophobicContact CB-CD1 4.28Å; N139-I143 WeakPolarHBondContact O-CB 3.47Å; N139-I143 WeakPolarHBondContact OD1-CD1 3.39Å; I143-A145 VanDerWaalsContact C-N 3.33Å; I143-A145 PolarHBondContact O-N 3.14Å; I143-V146 WeakPolarHBondContact O-CB 3.36Å; I143-V146 PolarHBondContact O-N 3.28Å; I143-C147 WeakPolarHBondContact O-CB 3.22Å; I143-C147 PolarHBondContact O-N 2.91Å; I143-C147 PolarHBondContact O-SG 2.87Å; I143-D760 HydrophobicContact CD1-CB 3.85Å; I143-T761 WeakPolarHBondContact CD1-OG1 3.49Å; I143-T761 HydrophobicContact CG1-CG2 4.36Å; I143-T761 WeakPolarHBondContact CG1-OG1 3.31Å; I143-S764 VanDerWaalsContact CG2-CB 3.42Å; I143-V781 HydrophobicContact CB-CG2 4.13Å; I143-V781 HydrophobicContact CG2-CG2 3.78Å |
| 144 | T | 94.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.8 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | L140 A142 C147 I148 I778 I836 L864 | L140-T144 WeakPolarHBondContact O-CB 3.28Å; L140-T144 PolarHBondContact O-OG1 3.42Å; A142-T144 PolarHBondContact O-N 3Å; T144-C147 PolarHBondContact O-N 3.47Å; T144-I148 HydrophobicContact CG2-CD1 4.23Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 3.03Å; T144-I778 HydrophobicContact CG2-CD1 3.99Å; T144-I836 HydrophobicContact CG2-CD1 4.17Å; T144-I836 HydrophobicContact CG2-CG1 4.44Å; T144-L864 HydrophobicContact CG2-CD1 3.6Å |
| 145 | A | 95.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F141 A142 I143 C147 I148 V149 A861 L864 F865 | F141-A145 WeakPolarHBondContact O-CB 3.38Å; F141-A145 PolarHBondContact O-N 3.07Å; A142-A145 WeakPolarHBondContact O-CB 3.37Å; A142-A145 PolarHBondContact O-N 2.94Å; I143-A145 VanDerWaalsContact C-N 3.33Å; I143-A145 PolarHBondContact O-N 3.14Å; A145-C147 VanDerWaalsContact C-N 3.35Å; A145-C147 PolarHBondContact O-N 2.64Å; A145-I148 PolarHBondContact O-N 2.78Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 3.39Å; A145-A861 HydrophobicContact CB-CB 4.18Å; A145-A861 WeakPolarHBondContact CB-O 3.45Å; A145-L864 HydrophobicContact CB-CB 4.06Å; A145-F865 HydrophobicContact CB-CB 4.49Å |
| 146 | V | 95.1 | Very high | 91.1 | Very high | 44 Ų | 44 | 26.6 Ų | 26.6 | 27% | 0.267 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | A142 I143 I148 V149 S150 T761 K765 | A142-V146 WeakPolarHBondContact O-CG2 3.42Å; A142-V146 PolarHBondContact O-N 2.91Å; I143-V146 WeakPolarHBondContact O-CB 3.36Å; I143-V146 PolarHBondContact O-N 3.28Å; V146-I148 PolarHBondContact O-N 2.86Å; V146-V149 VanDerWaalsContact O-CG2 3.29Å; V146-V149 WeakPolarHBondContact O-CG2 3.34Å; V146-V149 PolarHBondContact O-N 2.79Å; V146-S150 WeakPolarHBondContact O-CB 3.23Å; V146-S150 PolarHBondContact O-N 2.75Å; V146-S150 PolarHBondContact O-OG 2.86Å; V146-T761 HydrophobicContact CG1-CG2 4.28Å; V146-T761 HydrophobicContact CG2-CG2 4.32Å; V146-K765 HydrophobicContact CG1-CB 4.05Å; V146-K765 HydrophobicContact CG1-CD 4.08Å; V146-K765 HydrophobicContact CG1-CG 4.34Å |
| 147 | C | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.6 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | I143 T144 A145 S764 A768 L850 | I143-C147 WeakPolarHBondContact O-CB 3.22Å; I143-C147 PolarHBondContact O-N 2.91Å; I143-C147 PolarHBondContact O-SG 2.87Å; T144-C147 PolarHBondContact O-N 3.47Å; A145-C147 VanDerWaalsContact C-N 3.35Å; A145-C147 PolarHBondContact O-N 2.64Å; C147-S764 VanDerWaalsContact SG-C 3.56Å; C147-S764 VanDerWaalsContact SG-CB 3.57Å; C147-S764 PolarHBondContact SG-O 2.93Å; C147-A768 HydrophobicContact CB-CB 4.03Å; C147-L850 HydrophobicContact CB-CD1 4.25Å; C147-L850 HydrophobicContact CB-CD2 3.77Å |
| 148 | I | 94.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 176.3 | -69.4 | 167.1 | 0 | 0 | 0 | 110.3 | T144 A145 V146 L850 K857 A861 L864 | T144-I148 HydrophobicContact CG2-CD1 4.23Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 3.03Å; A145-I148 PolarHBondContact O-N 2.78Å; V146-I148 PolarHBondContact O-N 2.86Å; I148-L850 HydrophobicContact CG1-CD2 3.8Å; I148-K857 HydrophobicContact CG2-CB 4.46Å; I148-K857 HydrophobicContact CG2-CG 3.84Å; I148-K857 WeakPolarHBondContact CG2-O 3.43Å; I148-K857 VanDerWaalsContact O-CE 3.24Å; I148-K857 WeakPolarHBondContact O-CE 3.38Å; I148-A861 HydrophobicContact CG2-CB 4.42Å; I148-L864 HydrophobicContact CD1-CD1 3.78Å |
| 149 | V | 93.8 | Very high | 90.4 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.8 | -27 | -176.7 | -60.6 | 0 | 0 | 0 | 0 | 114 | A145 V146 V151 K857 W858 A861 | A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 3.39Å; V146-V149 VanDerWaalsContact O-CG2 3.29Å; V146-V149 WeakPolarHBondContact O-CG2 3.34Å; V146-V149 PolarHBondContact O-N 2.79Å; V149-V151 VanDerWaalsContact C-N 3.32Å; V149-V151 PolarHBondContact O-N 3.44Å; V149-K857 WeakPolarHBondContact O-CE 3.4Å; V149-K857 PolarHBondContact O-NZ 2.77Å; V149-W858 HydrophobicContact CG1-CD2 4.38Å; V149-W858 HydrophobicContact CG1-CE3 3.93Å; V149-W858 HydrophobicContact CG1-CH2 4.48Å; V149-W858 HydrophobicContact CG1-CZ3 3.99Å; V149-A861 HydrophobicContact CG1-CB 3.35Å |
| 150 | S | 92.2 | Very high | 90 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.5 | -19.6 | -174.8 | -63.1 | 0 | 0 | 0 | 0 | 114 | V146 K765 Q769 | V146-S150 WeakPolarHBondContact O-CB 3.23Å; V146-S150 PolarHBondContact O-N 2.75Å; V146-S150 PolarHBondContact O-OG 2.86Å; S150-K765 WeakPolarHBondContact OG-CG 3.45Å; S150-Q769 WeakPolarHBondContact O-CG 3.25Å |
| 151 | V | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -68.9 | 124.8 | 173.8 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | V149 T155 K157 A768 L850 K857 | V149-V151 VanDerWaalsContact C-N 3.32Å; V149-V151 PolarHBondContact O-N 3.44Å; V151-T155 WeakPolarHBondContact CG1-O 2.88Å; V151-T155 WeakPolarHBondContact CG1-OG1 3.46Å; V151-K157 HydrophobicContact CG1-CG 4.43Å; V151-K157 HydrophobicContact CG2-CD 4.15Å; V151-K157 HydrophobicContact CG2-CG 4.42Å; V151-A768 WeakPolarHBondContact CG2-O 3.37Å; V151-L850 HydrophobicContact CG2-CB 3.77Å; V151-K857 PolarHBondContact O-NZ 3.43Å |
| 152 | P | 84 | Confident | 89 | Confident | 74 Ų | 74 | 42.2 Ų | 42.2 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -52.4 | 145.1 | -178.8 | -27.8 | 34.8 | 0 | 0 | 0 | 113.5 | G154 T155 | P152-G154 PolarHBondContact O-N 2.93Å; P152-T155 HydrophobicContact CB-CG2 4.42Å; P152-T155 PolarHBondContact O-N 3.5Å; P152-T155 PolarHBondContact O-OG1 2.85Å |
| 153 | A | 75.2 | Confident | 88.5 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 62% | 0.62 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 133.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | T155 | A153-T155 VanDerWaalsContact C-N 3.31Å; A153-T155 PolarHBondContact O-N 2.73Å |
| 154 | G | 71.9 | Confident | 88 | Confident | 78 Ų | 78 | 43.9 Ų | 43.9 | 80% | 0.804 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -11.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | P152 | P152-G154 PolarHBondContact O-N 2.93Š|
| 155 | T | 85.1 | Confident | 87.7 | Confident | 58 Ų | 58 | 45 Ų | 45 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | trans | -96 | 150.3 | 174.2 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | V151 P152 A153 G852 | V151-T155 WeakPolarHBondContact CG1-O 2.88Å; V151-T155 WeakPolarHBondContact CG1-OG1 3.46Å; P152-T155 HydrophobicContact CB-CG2 4.42Å; P152-T155 PolarHBondContact O-N 3.5Å; P152-T155 PolarHBondContact O-OG1 2.85Å; A153-T155 VanDerWaalsContact C-N 3.31Å; A153-T155 PolarHBondContact O-N 2.73Å; T155-G852 PolarHBondContact O-N 3.44Å; T155-G852 VanDerWaalsContact O-N 3.17Å | ||
| 156 | K | 88.9 | Confident | 87.5 | Confident | 134 Ų | 134 | 47.3 Ų | 47.3 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.6 | -178.4 | 67.2 | -179.1 | 180 | -178.2 | 0 | 109.8 | A848 | K156-A848 HydrophobicContact CB-CB 3.69Å; K156-A848 HydrophobicContact CG-CB 4.47Å |
| 157 | K | 90.5 | Very high | 87.3 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.9 | 178.6 | -57.8 | -171.8 | -179.8 | -174.4 | 0 | 110.3 | V151 A768 Q769 D771 A774 L850 | V151-K157 HydrophobicContact CG1-CG 4.43Å; V151-K157 HydrophobicContact CG2-CD 4.15Å; V151-K157 HydrophobicContact CG2-CG 4.42Å; K157-A768 WeakPolarHBondContact CD-O 3.43Å; K157-A768 VanDerWaalsContact CE-O 3.28Å; K157-A768 WeakPolarHBondContact CE-O 3.06Å; K157-A768 PolarHBondContact NZ-O 3.07Å; K157-Q769 PolarHBondContact NZ-O 3.41Å; K157-D771 WeakPolarHBondContact CD-O 3.47Å; K157-D771 WeakPolarHBondContact CE-O 3.44Å; K157-D771 PolarHBondContact NZ-O 3.29Å; K157-A774 HydrophobicContact CB-CB 4.34Å; K157-L850 HydrophobicContact CB-CB 4.28Å; K157-L850 PolarHBondContact N-O 3.48Å; K157-L850 PolarHBondContact O-N 3.28Å |
| 158 | R | 91.5 | Very high | 87 | Confident | 101 Ų | 101 | 46.5 Ų | 46.5 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | trans | -107.7 | 154.5 | 177.2 | -76.4 | -171.7 | 171.3 | -158.2 | -11.5 | 111.9 | T773 A774 R840 Q847 A848 E849 | R158-T773 WeakPolarHBondContact O-CA 3.05Å; R158-T773 WeakPolarHBondContact O-CB 3.28Å; R158-A774 PolarHBondContact O-N 3.18Å; R158-R840 PolarHBondContact NH2-O 3.5Å; R158-Q847 PolarHBondContact NE-O 3.16Å; R158-Q847 PolarHBondContact NH2-O 3.14Å; R158-A848 HydrophobicContact CG-CB 4.27Å; R158-E849 WeakPolarHBondContact CA-OE2 3.22Å | ||
| 159 | I | 88.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | trans | -77.2 | 116.5 | 165.4 | -59.1 | 178.5 | 0 | 0 | 0 | 107.7 | F165 A774 D775 I778 R840 E849 | I159-F165 HydrophobicContact CD1-CB 4.25Å; I159-F165 HydrophobicContact CD1-CD1 4.03Å; I159-F165 HydrophobicContact CD1-CD2 3.53Å; I159-F165 HydrophobicContact CD1-CE1 4.28Å; I159-F165 HydrophobicContact CD1-CE2 3.82Å; I159-F165 HydrophobicContact CD1-CG 3.64Å; I159-F165 HydrophobicContact CD1-CZ 4.18Å; I159-F165 HydrophobicContact CG2-CB 3.78Å; I159-F165 HydrophobicContact CG2-CG 4.28Å; I159-A774 HydrophobicContact CG1-CB 3.8Å; I159-D775 WeakPolarHBondContact CG2-OD1 3.04Å; I159-I778 HydrophobicContact CD1-CB 4.16Å; I159-I778 HydrophobicContact CD1-CG1 4.43Å; I159-I778 HydrophobicContact CD1-CG2 4.02Å; I159-R840 PolarHBondContact O-NH1 2.61Å; I159-R840 VanDerWaalsContact O-NH1 3.13Å; I159-E849 HydrophobicContact CD1-CG 4.22Å; I159-E849 HydrophobicContact CG1-CG 4.26Å; I159-E849 PolarHBondContact N-OE2 2.91Å | ||
| 160 | E | 84.6 | Confident | 86.8 | Confident | 116 Ų | 116 | 47.7 Ų | 47.7 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -81.6 | -42 | 178.5 | -75.8 | -170.2 | -175.7 | 0 | 0 | 111.9 | F162 R221 T773 D775 | E160-F162 PolarHBondContact O-N 3.47Å; E160-R221 IonicContact OE2-NH2 2.81Å; E160-T773 HydrophobicContact CB-CG2 4.37Å; E160-T773 HydrophobicContact CG-CG2 3.56Å; E160-T773 VanDerWaalsContact OE1-CG2 3.27Å; E160-T773 WeakPolarHBondContact OE1-CG2 2.95Å; E160-D775 PolarHBondContact N-OD1 3.22Å; E160-D775 VanDerWaalsContact N-OD1 3.16Å; E160-D775 PolarHBondContact N-OD2 2.97Å |
| 161 | N | 81.8 | Confident | 87 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | trans | -86.9 | 55.6 | -179.8 | -64.3 | -52.5 | 0 | 0 | 0 | 110.7 | G163 V164 F165 M217 D775 | N161-G163 PolarHBondContact O-N 3.44Å; N161-G163 VanDerWaalsContact O-N 3.11Å; N161-V164 HydrophobicContact CB-CB 4.45Å; N161-V164 PolarHBondContact O-N 3.03Å; N161-F165 PolarHBondContact O-N 3.09Å; N161-M217 HydrophobicContact CB-CE 4.1Å; N161-D775 WeakPolarHBondContact CB-OD1 3.14Å; N161-D775 PolarHBondContact N-OD1 3.05Å | ||
| 162 | F | 85.5 | Confident | 87.1 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.7 | -33.3 | -171.4 | -167.5 | -108.3 | 0 | 0 | 0 | 113.4 | E160 V164 F165 C166 R840 | E160-F162 PolarHBondContact O-N 3.47Å; F162-V164 PolarHBondContact O-N 3.25Å; F162-F165 AromaticContact CD2-CD1 3.95Å; F162-F165 HydrophobicContact CD2-CD1 3.95Å; F162-F165 AromaticContact CE2-CD1 3.74Å; F162-F165 HydrophobicContact CE2-CD1 3.74Å; F162-F165 HydrophobicContact CE2-CE1 4.07Å; F162-F165 HydrophobicContact CZ-CD1 4.49Å; F162-F165 WeakPolarHBondContact O-CB 3.48Å; F162-F165 PolarHBondContact O-N 2.51Å; F162-C166 WeakPolarHBondContact CE1-SG 3.08Å; F162-C166 PolarHBondContact O-N 2.88Å; F162-C166 PolarHBondContact O-SG 2.82Å; F162-C166 VanDerWaalsContact O-SG 3.35Å; F162-R840 VanDerWaalsContact CE2-CD 3.45Å |
| 163 | G | 86.1 | Confident | 87.5 | Confident | 25 Ų | 25 | 47 Ų | 47 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N161 F165 C166 V167 | N161-G163 PolarHBondContact O-N 3.44Å; N161-G163 VanDerWaalsContact O-N 3.11Å; G163-F165 VanDerWaalsContact C-N 3.34Å; G163-C166 PolarHBondContact O-N 3.15Å; G163-V167 WeakPolarHBondContact O-CG2 3.36Å; G163-V167 PolarHBondContact O-N 3.11Å; G163-V167 VanDerWaalsContact O-N 3.13Å |
| 164 | V | 84.4 | Confident | 88.5 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | T94 N161 F162 V167 T168 T213 M217 | T94-V164 HydrophobicContact CG2-CG1 4.3Å; N161-V164 HydrophobicContact CB-CB 4.45Å; N161-V164 PolarHBondContact O-N 3.03Å; F162-V164 PolarHBondContact O-N 3.25Å; V164-V167 PolarHBondContact O-N 2.86Å; V164-T168 HydrophobicContact CG1-CG2 4.21Å; V164-T168 WeakPolarHBondContact O-CB 3.21Å; V164-T168 WeakPolarHBondContact O-CG2 3.39Å; V164-T168 PolarHBondContact O-N 2.8Å; V164-T168 PolarHBondContact O-OG1 2.64Å; V164-T213 HydrophobicContact CG2-CG2 4.28Å; V164-M217 HydrophobicContact CB-CE 4.43Å; V164-M217 HydrophobicContact CG2-CE 3.63Å |
| 165 | F | 88.2 | Confident | 89.6 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 174 | 170 | -103.3 | 0 | 0 | 0 | 112.4 | I159 N161 F162 G163 V167 T168 S169 I778 T782 L833 I836 | I159-F165 HydrophobicContact CD1-CB 4.25Å; I159-F165 HydrophobicContact CD1-CD1 4.03Å; I159-F165 HydrophobicContact CD1-CD2 3.53Å; I159-F165 HydrophobicContact CD1-CE1 4.28Å; I159-F165 HydrophobicContact CD1-CE2 3.82Å; I159-F165 HydrophobicContact CD1-CG 3.64Å; I159-F165 HydrophobicContact CD1-CZ 4.18Å; I159-F165 HydrophobicContact CG2-CB 3.78Å; I159-F165 HydrophobicContact CG2-CG 4.28Å; N161-F165 PolarHBondContact O-N 3.09Å; F162-F165 AromaticContact CD2-CD1 3.95Å; F162-F165 HydrophobicContact CD2-CD1 3.95Å; F162-F165 AromaticContact CE2-CD1 3.74Å; F162-F165 HydrophobicContact CE2-CD1 3.74Å; F162-F165 HydrophobicContact CE2-CE1 4.07Å; F162-F165 HydrophobicContact CZ-CD1 4.49Å; F162-F165 WeakPolarHBondContact O-CB 3.48Å; F162-F165 PolarHBondContact O-N 2.51Å; G163-F165 VanDerWaalsContact C-N 3.34Å; F165-V167 PolarHBondContact O-N 3.07Å; F165-T168 WeakPolarHBondContact CA-OG1 3.41Å; F165-T168 PolarHBondContact O-N 3.46Å; F165-T168 PolarHBondContact O-OG1 2.84Å; F165-S169 WeakPolarHBondContact CD2-OG 3.34Å; F165-S169 WeakPolarHBondContact CE2-OG 3.34Å; F165-S169 WeakPolarHBondContact CZ-OG 3.29Å; F165-S169 VanDerWaalsContact O-CB 3.25Å; F165-S169 WeakPolarHBondContact O-CB 3.24Å; F165-S169 PolarHBondContact O-N 3.37Å; F165-S169 PolarHBondContact O-OG 2.92Å; F165-I778 HydrophobicContact CD2-CG2 3.85Å; F165-I778 HydrophobicContact CE2-CG2 3.45Å; F165-I778 VanDerWaalsContact CE2-CG2 3.45Å; F165-I778 HydrophobicContact CZ-CG2 4.49Å; F165-T782 HydrophobicContact CE2-CG2 4.3Å; F165-L833 HydrophobicContact CZ-CD2 4.46Å; F165-I836 HydrophobicContact CZ-CG2 4.1Å |
| 166 | C | 90.8 | Very high | 90 | Very high | 56 Ų | 56 | 40 Ų | 40 | 38% | 0.378 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 176.5 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | F162 G163 A170 | F162-C166 WeakPolarHBondContact CE1-SG 3.08Å; F162-C166 PolarHBondContact O-N 2.88Å; F162-C166 PolarHBondContact O-SG 2.82Å; F162-C166 VanDerWaalsContact O-SG 3.35Å; G163-C166 PolarHBondContact O-N 3.15Å; C166-A170 VanDerWaalsContact O-CB 3.23Å; C166-A170 WeakPolarHBondContact O-CB 3.36Å; C166-A170 PolarHBondContact O-N 3.2Å |
| 167 | V | 90.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -52.1 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | G163 V164 F165 S169 A170 W171 N209 A210 T213 | G163-V167 WeakPolarHBondContact O-CG2 3.36Å; G163-V167 PolarHBondContact O-N 3.11Å; G163-V167 VanDerWaalsContact O-N 3.13Å; V164-V167 PolarHBondContact O-N 2.86Å; F165-V167 PolarHBondContact O-N 3.07Å; V167-S169 VanDerWaalsContact C-N 3.35Å; V167-S169 PolarHBondContact O-N 3.04Å; V167-A170 PolarHBondContact O-N 2.89Å; V167-W171 PolarHBondContact O-N 3.1Å; V167-N209 HydrophobicContact CG1-CB 4.22Å; V167-A210 HydrophobicContact CG1-CB 4.35Å; V167-T213 HydrophobicContact CG2-CG2 4.14Å |
| 168 | T | 89.1 | Confident | 90.5 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | -178.3 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | L98 V164 F165 S172 T782 | L98-T168 HydrophobicContact CD1-CG2 4.1Å; L98-T168 HydrophobicContact CD2-CG2 3.81Å; V164-T168 HydrophobicContact CG1-CG2 4.21Å; V164-T168 WeakPolarHBondContact O-CB 3.21Å; V164-T168 WeakPolarHBondContact O-CG2 3.39Å; V164-T168 PolarHBondContact O-N 2.8Å; V164-T168 PolarHBondContact O-OG1 2.64Å; F165-T168 WeakPolarHBondContact CA-OG1 3.41Å; F165-T168 PolarHBondContact O-N 3.46Å; F165-T168 PolarHBondContact O-OG1 2.84Å; T168-S172 WeakPolarHBondContact O-CB 3.46Å; T168-S172 PolarHBondContact O-N 2.67Å; T168-T782 PolarHBondContact OG1-OG1 3.42Å |
| 169 | S | 91.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.8 | -40 | 176 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | F165 V167 S172 L173 | F165-S169 WeakPolarHBondContact CD2-OG 3.34Å; F165-S169 WeakPolarHBondContact CE2-OG 3.34Å; F165-S169 WeakPolarHBondContact CZ-OG 3.29Å; F165-S169 VanDerWaalsContact O-CB 3.25Å; F165-S169 WeakPolarHBondContact O-CB 3.24Å; F165-S169 PolarHBondContact O-N 3.37Å; F165-S169 PolarHBondContact O-OG 2.92Å; V167-S169 VanDerWaalsContact C-N 3.35Å; V167-S169 PolarHBondContact O-N 3.04Å; S169-S172 PolarHBondContact O-N 3.07Å; S169-L173 PolarHBondContact O-N 3.17Å |
| 170 | A | 93.6 | Very high | 90.8 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 49% | 0.488 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C166 V167 L173 F174 | C166-A170 VanDerWaalsContact O-CB 3.23Å; C166-A170 WeakPolarHBondContact O-CB 3.36Å; C166-A170 PolarHBondContact O-N 3.2Å; V167-A170 PolarHBondContact O-N 2.89Å; A170-L173 PolarHBondContact O-N 2.77Å; A170-F174 VanDerWaalsContact O-CB 3.28Å; A170-F174 WeakPolarHBondContact O-CB 3.41Å; A170-F174 PolarHBondContact O-N 2.87Å |
| 171 | W | 94.5 | Very high | 91.2 | Very high | 40 Ų | 40 | 30.7 Ų | 30.7 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -37.7 | 174.1 | -81.1 | 104.7 | 0 | 0 | 0 | 112.6 | V167 L173 F174 A175 F202 A205 L206 N209 F790 | V167-W171 PolarHBondContact O-N 3.1Å; W171-L173 VanDerWaalsContact C-N 3.33Å; W171-L173 PolarHBondContact O-N 2.8Å; W171-F174 AromaticContact CE3-CD1 3.79Å; W171-F174 HydrophobicContact CE3-CD1 3.79Å; W171-F174 HydrophobicContact CE3-CE1 4.41Å; W171-F174 AromaticContact CZ3-CD1 3.76Å; W171-F174 HydrophobicContact CZ3-CD1 3.76Å; W171-F174 AromaticContact CZ3-CE1 3.92Å; W171-F174 HydrophobicContact CZ3-CE1 3.92Å; W171-F174 PolarHBondContact O-N 3.4Å; W171-A175 WeakPolarHBondContact O-CB 3.48Å; W171-A175 PolarHBondContact O-N 3.22Å; W171-F202 HydrophobicContact CH2-CD1 4.11Å; W171-F202 HydrophobicContact CZ3-CB 3.89Å; W171-F202 AromaticContact CZ3-CD1 3.86Å; W171-F202 HydrophobicContact CZ3-CD1 3.86Å; W171-F202 HydrophobicContact CZ3-CG 4.07Å; W171-A205 HydrophobicContact CH2-CB 3.63Å; W171-A205 HydrophobicContact CZ2-CB 3.96Å; W171-A205 HydrophobicContact CZ3-CB 4.45Å; W171-L206 HydrophobicContact CB-CB 4.42Å; W171-L206 HydrophobicContact CB-CD1 3.63Å; W171-L206 HydrophobicContact CB-CD2 4.41Å; W171-L206 HydrophobicContact CB-CG 4.36Å; W171-L206 HydrophobicContact CD2-CB 3.91Å; W171-L206 HydrophobicContact CD2-CD1 4.43Å; W171-L206 HydrophobicContact CE3-CB 4.26Å; W171-L206 HydrophobicContact CG-CB 3.97Å; W171-L206 HydrophobicContact CG-CD1 3.61Å; W171-L206 HydrophobicContact CG-CG 4.29Å; W171-N209 PolarHBondContact NE1-ND2 3.22Å; W171-F790 HydrophobicContact CB-CE2 4.47Å; W171-F790 AromaticContact CE3-CE2 3.81Å; W171-F790 HydrophobicContact CE3-CE2 3.81Å; W171-F790 AromaticContact CE3-CZ 3.71Å; W171-F790 HydrophobicContact CE3-CZ 3.71Å; W171-F790 HydrophobicContact CZ3-CZ 4.22Å |
| 172 | S | 92.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 28 Ų | 28 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.6 | 179 | 0 | 0 | 0 | 0 | 111.5 | T168 S169 Y176 N785 S786 | T168-S172 WeakPolarHBondContact O-CB 3.46Å; T168-S172 PolarHBondContact O-N 2.67Å; S169-S172 PolarHBondContact O-N 3.07Å; S172-Y176 WeakPolarHBondContact O-CD2 3.11Å; S172-Y176 WeakPolarHBondContact O-CE2 3.31Å; S172-N785 VanDerWaalsContact OG-CB 3.27Å; S172-N785 WeakPolarHBondContact OG-CB 3.45Å; S172-S786 VanDerWaalsContact CA-OG 3.24Å; S172-S786 WeakPolarHBondContact CA-OG 3.44Å; S172-S786 WeakPolarHBondContact CB-OG 3.27Å; S172-S786 PolarHBondContact N-OG 3.02Å |
| 173 | L | 93.7 | Very high | 92.1 | Very high | 29 Ų | 29 | 25.3 Ų | 25.3 | 15% | 0.152 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.1 | -45.1 | 175.9 | 179.9 | 72.1 | 0 | 0 | 0 | 111.3 | S169 A170 W171 A175 Y176 I177 T826 S829 L830 | S169-L173 PolarHBondContact O-N 3.17Å; A170-L173 PolarHBondContact O-N 2.77Å; W171-L173 VanDerWaalsContact C-N 3.33Å; W171-L173 PolarHBondContact O-N 2.8Å; L173-A175 PolarHBondContact O-N 2.99Å; L173-Y176 PolarHBondContact O-N 2.93Å; L173-Y176 VanDerWaalsContact O-N 3.16Å; L173-I177 HydrophobicContact CD1-CD1 4.49Å; L173-I177 HydrophobicContact CD2-CD1 4.13Å; L173-I177 HydrophobicContact CG-CD1 3.83Å; L173-I177 HydrophobicContact CG-CG1 4.45Å; L173-I177 PolarHBondContact O-N 2.75Å; L173-I177 VanDerWaalsContact O-N 3.13Å; L173-T826 HydrophobicContact CD1-CG2 3.92Å; L173-S829 WeakPolarHBondContact CD1-OG 3.36Å; L173-L830 HydrophobicContact CD1-CD2 4.17Å; L173-L830 HydrophobicContact CD1-CG 4.14Å; L173-L830 HydrophobicContact CD2-CD2 3.49Å; L173-L830 VanDerWaalsContact CD2-CD2 3.49Å; L173-L830 HydrophobicContact CD2-CG 4.32Å; L173-L830 HydrophobicContact CG-CD2 4.5Å |
| 174 | F | 95.5 | Very high | 92.3 | Very high | 62 Ų | 62 | 26.7 Ų | 26.7 | 27% | 0.272 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.6 | -35.1 | 179.2 | 175.9 | -109.8 | 0 | 0 | 0 | 112 | A170 W171 Y176 I177 W178 F202 F790 | A170-F174 VanDerWaalsContact O-CB 3.28Å; A170-F174 WeakPolarHBondContact O-CB 3.41Å; A170-F174 PolarHBondContact O-N 2.87Å; W171-F174 AromaticContact CE3-CD1 3.79Å; W171-F174 HydrophobicContact CE3-CD1 3.79Å; W171-F174 HydrophobicContact CE3-CE1 4.41Å; W171-F174 AromaticContact CZ3-CD1 3.76Å; W171-F174 HydrophobicContact CZ3-CD1 3.76Å; W171-F174 AromaticContact CZ3-CE1 3.92Å; W171-F174 HydrophobicContact CZ3-CE1 3.92Å; W171-F174 PolarHBondContact O-N 3.4Å; F174-Y176 VanDerWaalsContact C-N 3.32Å; F174-Y176 PolarHBondContact O-N 3.37Å; F174-I177 PolarHBondContact O-N 3.35Å; F174-W178 HydrophobicContact CE1-CB 4.42Å; F174-W178 HydrophobicContact CZ-CB 4.32Å; F174-W178 HydrophobicContact CZ-CE3 4.41Å; F174-W178 VanDerWaalsContact O-CB 3.23Å; F174-W178 WeakPolarHBondContact O-CB 3.43Å; F174-W178 PolarHBondContact O-N 3.13Å; F174-F202 HydrophobicContact CE1-CD1 4.15Å; F174-F202 AromaticContact CE1-CD2 3.83Å; F174-F202 HydrophobicContact CE1-CD2 3.83Å; F174-F202 HydrophobicContact CE1-CE1 4.08Å; F174-F202 AromaticContact CE1-CE2 3.73Å; F174-F202 HydrophobicContact CE1-CE2 3.73Å; F174-F202 HydrophobicContact CE1-CG 4.05Å; F174-F202 AromaticContact CE1-CZ 3.87Å; F174-F202 HydrophobicContact CE1-CZ 3.87Å; F174-F202 HydrophobicContact CZ-CD2 4.45Å; F174-F202 HydrophobicContact CZ-CE1 4.33Å; F174-F202 AromaticContact CZ-CE2 3.89Å; F174-F202 HydrophobicContact CZ-CE2 3.89Å; F174-F202 AromaticContact CZ-CZ 3.83Å; F174-F202 HydrophobicContact CZ-CZ 3.83Å; F174-F790 HydrophobicContact CD1-CE1 4.48Å; F174-F790 HydrophobicContact CD1-CZ 4.07Å |
| 175 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | W171 L173 W178 L179 V789 F790 | W171-A175 WeakPolarHBondContact O-CB 3.48Å; W171-A175 PolarHBondContact O-N 3.22Å; L173-A175 PolarHBondContact O-N 2.99Å; A175-W178 WeakPolarHBondContact O-CB 3.32Å; A175-W178 PolarHBondContact O-N 3.07Å; A175-L179 WeakPolarHBondContact O-CG 3.37Å; A175-L179 PolarHBondContact O-N 3.23Å; A175-V789 HydrophobicContact CB-CB 3.75Å; A175-V789 HydrophobicContact CB-CG1 3.84Å; A175-V789 HydrophobicContact CB-CG2 4.08Å; A175-F790 HydrophobicContact CB-CD1 4.25Å; A175-F790 HydrophobicContact CB-CE1 3.64Å; A175-F790 HydrophobicContact CB-CE2 3.95Å; A175-F790 HydrophobicContact CB-CZ 3.45Å; A175-F790 VanDerWaalsContact CB-CZ 3.45Å |
| 176 | Y | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -79.5 | -32.6 | 178.9 | -63.2 | -89.5 | 0 | 0 | 0 | 112.5 | V133 A136 S172 L173 F174 W178 L179 I180 N785 V789 V822 F825 T826 | V133-Y176 HydrophobicContact CG2-CE1 4.46Å; A136-Y176 HydrophobicContact CB-CE1 3.88Å; A136-Y176 HydrophobicContact CB-CE2 4.3Å; A136-Y176 VanDerWaalsContact CB-CZ 3.42Å; A136-Y176 WeakPolarHBondContact CB-OH 3.19Å; S172-Y176 WeakPolarHBondContact O-CD2 3.11Å; S172-Y176 WeakPolarHBondContact O-CE2 3.31Å; L173-Y176 PolarHBondContact O-N 2.93Å; L173-Y176 VanDerWaalsContact O-N 3.16Å; F174-Y176 VanDerWaalsContact C-N 3.32Å; F174-Y176 PolarHBondContact O-N 3.37Å; Y176-W178 VanDerWaalsContact C-N 3.28Å; Y176-W178 PolarHBondContact O-N 2.72Å; Y176-L179 HydrophobicContact CD1-CD1 4.18Å; Y176-L179 PolarHBondContact O-N 2.77Å; Y176-I180 WeakPolarHBondContact O-CG1 3.22Å; Y176-I180 PolarHBondContact O-N 3.28Å; Y176-N785 HydrophobicContact CE2-CB 4.36Å; Y176-N785 PolarHBondContact OH-O 3.05Å; Y176-V789 HydrophobicContact CD1-CG2 4.06Å; Y176-V789 HydrophobicContact CD2-CG2 4.31Å; Y176-V789 HydrophobicContact CE1-CG2 3.53Å; Y176-V789 HydrophobicContact CE2-CG2 3.8Å; Y176-V789 HydrophobicContact CG-CG2 4.41Å; Y176-V789 WeakPolarHBondContact OH-CG2 3.07Å; Y176-V822 HydrophobicContact CD1-CG1 4.24Å; Y176-V822 WeakPolarHBondContact O-CG1 3.49Å; Y176-F825 AromaticContact CD1-CD1 3.62Å; Y176-F825 HydrophobicContact CD1-CD1 3.62Å; Y176-F825 AromaticContact CD1-CE1 3.7Å; Y176-F825 HydrophobicContact CD1-CE1 3.7Å; Y176-F825 HydrophobicContact CD2-CD1 4.14Å; Y176-F825 AromaticContact CD2-CE1 3.45Å; Y176-F825 HydrophobicContact CD2-CE1 3.45Å; Y176-F825 VanDerWaalsContact CD2-CE1 3.45Å; Y176-F825 HydrophobicContact CD2-CZ 4.46Å; Y176-F825 AromaticContact CE1-CD1 4Å; Y176-F825 HydrophobicContact CE1-CD1 4Å; Y176-F825 AromaticContact CE1-CE1 3.82Å; Y176-F825 HydrophobicContact CE1-CE1 3.82Å; Y176-F825 HydrophobicContact CE2-CD1 4.49Å; Y176-F825 AromaticContact CE2-CE1 3.6Å; Y176-F825 HydrophobicContact CE2-CE1 3.6Å; Y176-F825 HydrophobicContact CE2-CZ 4.29Å; Y176-F825 AromaticContact CG-CD1 3.71Å; Y176-F825 HydrophobicContact CG-CD1 3.71Å; Y176-F825 AromaticContact CG-CE1 3.53Å; Y176-F825 HydrophobicContact CG-CE1 3.53Å; Y176-F825 AromaticContact CZ-CE1 3.8Å; Y176-T826 WeakPolarHBondContact CB-OG1 3.45Å |
| 177 | I | 94.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 28.8 Ų | 28.8 | 32% | 0.318 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 168.8 | -64.9 | 171.8 | 0 | 0 | 0 | 110.1 | L173 F174 I180 I181 T826 | L173-I177 HydrophobicContact CD1-CD1 4.49Å; L173-I177 HydrophobicContact CD2-CD1 4.13Å; L173-I177 HydrophobicContact CG-CD1 3.83Å; L173-I177 HydrophobicContact CG-CG1 4.45Å; L173-I177 PolarHBondContact O-N 2.75Å; L173-I177 VanDerWaalsContact O-N 3.13Å; F174-I177 PolarHBondContact O-N 3.35Å; I177-I180 WeakPolarHBondContact O-CB 3.17Å; I177-I180 PolarHBondContact O-N 3.27Å; I177-I181 HydrophobicContact CG2-CD1 3.92Å; I177-I181 HydrophobicContact CG2-CG1 4.43Å; I177-I181 VanDerWaalsContact O-CG1 3.31Å; I177-I181 WeakPolarHBondContact O-CG1 3.49Å; I177-I181 PolarHBondContact O-N 3.2Å; I177-T826 HydrophobicContact CD1-CG2 4.48Å; I177-T826 HydrophobicContact CG1-CG2 3.77Å |
| 178 | W | 95.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.2 | 176 | -109.9 | 0 | 0 | 0 | 111.8 | F174 A175 Y176 I180 I181 I182 I186 W194 L198 T199 F202 | F174-W178 HydrophobicContact CE1-CB 4.42Å; F174-W178 HydrophobicContact CZ-CB 4.32Å; F174-W178 HydrophobicContact CZ-CE3 4.41Å; F174-W178 VanDerWaalsContact O-CB 3.23Å; F174-W178 WeakPolarHBondContact O-CB 3.43Å; F174-W178 PolarHBondContact O-N 3.13Å; A175-W178 WeakPolarHBondContact O-CB 3.32Å; A175-W178 PolarHBondContact O-N 3.07Å; Y176-W178 VanDerWaalsContact C-N 3.28Å; Y176-W178 PolarHBondContact O-N 2.72Å; W178-I180 VanDerWaalsContact C-N 3.32Å; W178-I180 PolarHBondContact O-N 2.87Å; W178-I181 HydrophobicContact CE3-CB 4.35Å; W178-I181 HydrophobicContact CE3-CD1 4.45Å; W178-I181 HydrophobicContact CE3-CG2 4.2Å; W178-I181 HydrophobicContact CZ3-CG2 4.05Å; W178-I181 WeakPolarHBondContact O-CB 3.26Å; W178-I181 PolarHBondContact O-N 3.27Å; W178-I181 VanDerWaalsContact O-N 3.16Å; W178-I182 HydrophobicContact CD2-CG2 4.06Å; W178-I182 HydrophobicContact CE3-CG2 4.43Å; W178-I182 HydrophobicContact CH2-CG2 3.83Å; W178-I182 HydrophobicContact CZ2-CG2 3.42Å; W178-I182 VanDerWaalsContact CZ2-CG2 3.42Å; W178-I182 HydrophobicContact CZ3-CG2 4.32Å; W178-I182 PolarHBondContact O-N 2.76Å; W178-I186 HydrophobicContact CH2-CD1 4.43Å; W178-I186 HydrophobicContact CZ3-CD1 4.42Å; W178-W194 HydrophobicContact CH2-CZ3 4.28Å; W178-L198 HydrophobicContact CH2-CD2 3.54Å; W178-L198 HydrophobicContact CH2-CG 4.36Å; W178-L198 HydrophobicContact CZ2-CB 4.29Å; W178-L198 HydrophobicContact CZ2-CD2 3.79Å; W178-L198 HydrophobicContact CZ2-CG 4.14Å; W178-L198 HydrophobicContact CZ3-CD2 4.36Å; W178-T199 PolarHBondContact NE1-OG1 3.5Å; W178-F202 HydrophobicContact CD2-CD2 4.28Å; W178-F202 AromaticContact CD2-CE2 3.58Å; W178-F202 HydrophobicContact CD2-CE2 3.58Å; W178-F202 AromaticContact CE2-CE2 3.65Å; W178-F202 AromaticContact CE3-CE2 3.89Å; W178-F202 HydrophobicContact CE3-CE2 3.89Å; W178-F202 HydrophobicContact CE3-CZ 4.48Å; W178-F202 HydrophobicContact CG-CD2 4.26Å; W178-F202 AromaticContact CG-CE2 3.99Å; W178-F202 HydrophobicContact CG-CE2 3.99Å; W178-F202 HydrophobicContact CH2-CE2 4.35Å; W178-F202 HydrophobicContact CZ2-CE2 4.05Å; W178-F202 HydrophobicContact CZ3-CE2 4.27Å |
| 179 | L | 92.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | 171.7 | -72 | 177.9 | 0 | 0 | 0 | 112.5 | A175 Y176 I181 I182 L183 V789 L793 W797 V822 | A175-L179 WeakPolarHBondContact O-CG 3.37Å; A175-L179 PolarHBondContact O-N 3.23Å; Y176-L179 HydrophobicContact CD1-CD1 4.18Å; Y176-L179 PolarHBondContact O-N 2.77Å; L179-I181 VanDerWaalsContact C-N 3.34Å; L179-I182 HydrophobicContact CD2-CD1 4.05Å; L179-I182 WeakPolarHBondContact O-CG1 3.28Å; L179-L183 VanDerWaalsContact O-CB 3.28Å; L179-L183 WeakPolarHBondContact O-CB 3.25Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.23Å; L179-L183 PolarHBondContact O-N 3.39Å; L179-V789 HydrophobicContact CD1-CB 4.4Å; L179-V789 HydrophobicContact CD1-CG1 3.73Å; L179-V789 HydrophobicContact CD1-CG2 3.82Å; L179-V789 HydrophobicContact CD2-CG1 3.93Å; L179-V789 HydrophobicContact CG-CG1 3.65Å; L179-L793 HydrophobicContact CD1-CD1 3.69Å; L179-L793 HydrophobicContact CD2-CD1 3.93Å; L179-L793 HydrophobicContact CG-CD1 4.48Å; L179-W797 HydrophobicContact CD2-CH2 4.14Å; L179-W797 HydrophobicContact CD2-CZ3 3.73Å; L179-V822 HydrophobicContact CB-CG1 4.11Å; L179-V822 HydrophobicContact CD1-CG2 4.4Å |
| 180 | I | 93.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.205 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.9 | -65.9 | 165.6 | 0 | 0 | 0 | 110.3 | Y176 I177 W178 I182 L183 I184 V822 T826 | Y176-I180 WeakPolarHBondContact O-CG1 3.22Å; Y176-I180 PolarHBondContact O-N 3.28Å; I177-I180 WeakPolarHBondContact O-CB 3.17Å; I177-I180 PolarHBondContact O-N 3.27Å; W178-I180 VanDerWaalsContact C-N 3.32Å; W178-I180 PolarHBondContact O-N 2.87Å; I180-I182 PolarHBondContact O-N 3.23Å; I180-L183 PolarHBondContact O-N 3.42Å; I180-I184 HydrophobicContact CG2-CD1 4.28Å; I180-I184 WeakPolarHBondContact O-CB 3.27Å; I180-I184 PolarHBondContact O-N 3.46Å; I180-V822 HydrophobicContact CD1-CG1 4.08Å; I180-V822 HydrophobicContact CG1-CB 4.41Å; I180-V822 HydrophobicContact CG1-CG1 3.63Å; I180-T826 HydrophobicContact CD1-CG2 4.44Å |
| 181 | I | 94 | Very high | 92.8 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 30% | 0.303 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -59.3 | -46.9 | 180 | -71.1 | 167.5 | 0 | 0 | 0 | 111 | I177 W178 L179 G185 I186 | I177-I181 HydrophobicContact CG2-CD1 3.92Å; I177-I181 HydrophobicContact CG2-CG1 4.43Å; I177-I181 VanDerWaalsContact O-CG1 3.31Å; I177-I181 WeakPolarHBondContact O-CG1 3.49Å; I177-I181 PolarHBondContact O-N 3.2Å; W178-I181 HydrophobicContact CE3-CB 4.35Å; W178-I181 HydrophobicContact CE3-CD1 4.45Å; W178-I181 HydrophobicContact CE3-CG2 4.2Å; W178-I181 HydrophobicContact CZ3-CG2 4.05Å; W178-I181 WeakPolarHBondContact O-CB 3.26Å; W178-I181 PolarHBondContact O-N 3.27Å; W178-I181 VanDerWaalsContact O-N 3.16Å; L179-I181 VanDerWaalsContact C-N 3.34Å; I181-G185 CarbonylContact O-C 3.46Å; I181-G185 WeakPolarHBondContact O-CA 3.11Å; I181-G185 PolarHBondContact O-N 3.11Å; I181-I186 HydrophobicContact CG2-CD1 3.44Å; I181-I186 VanDerWaalsContact CG2-CD1 3.44Å; I181-I186 HydrophobicContact CG2-CG1 3.66Å; I181-I186 PolarHBondContact O-N 3.17Å |
| 182 | I | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -74.1 | -38.5 | -178.9 | 65.7 | -178.5 | 0 | 0 | 0 | 112.4 | W178 L179 I180 E195 W797 | W178-I182 HydrophobicContact CD2-CG2 4.06Å; W178-I182 HydrophobicContact CE3-CG2 4.43Å; W178-I182 HydrophobicContact CH2-CG2 3.83Å; W178-I182 HydrophobicContact CZ2-CG2 3.42Å; W178-I182 VanDerWaalsContact CZ2-CG2 3.42Å; W178-I182 HydrophobicContact CZ3-CG2 4.32Å; W178-I182 PolarHBondContact O-N 2.76Å; L179-I182 HydrophobicContact CD2-CD1 4.05Å; L179-I182 WeakPolarHBondContact O-CG1 3.28Å; I180-I182 PolarHBondContact O-N 3.23Å; I182-E195 HydrophobicContact CG2-CB 4.15Å; I182-E195 HydrophobicContact CG2-CG 4.17Å; I182-W797 HydrophobicContact CD1-CE3 4.24Å; I182-W797 HydrophobicContact CD1-CZ3 3.92Å |
| 183 | L | 90.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -77 | -32.4 | -176.4 | -69.7 | 175.1 | 0 | 0 | 0 | 113.9 | L179 I180 P188 N189 V191 W797 V813 L818 | L179-L183 VanDerWaalsContact O-CB 3.28Å; L179-L183 WeakPolarHBondContact O-CB 3.25Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.23Å; L179-L183 PolarHBondContact O-N 3.39Å; I180-L183 PolarHBondContact O-N 3.42Å; L183-P188 WeakPolarHBondContact O-CA 3.49Å; L183-N189 PolarHBondContact O-N 2.8Å; L183-N189 VanDerWaalsContact O-N 3.17Å; L183-V191 HydrophobicContact CD2-CG2 4.37Å; L183-W797 HydrophobicContact CD1-CH2 4.22Å; L183-W797 HydrophobicContact CD2-CH2 3.96Å; L183-W797 HydrophobicContact CD2-CZ3 4.15Å; L183-W797 HydrophobicContact CG-CH2 4.38Å; L183-V813 HydrophobicContact CD2-CB 4.15Å; L183-V813 HydrophobicContact CD2-CG1 3.76Å; L183-L818 HydrophobicContact CD1-CD2 3.87Å; L183-L818 HydrophobicContact CD1-CG 4.06Å |
| 184 | I | 90.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 28% | 0.277 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -117.1 | -34.8 | -172 | -55.7 | -178 | 0 | 0 | 0 | 111.9 | I180 F886 | I180-I184 HydrophobicContact CG2-CD1 4.28Å; I180-I184 WeakPolarHBondContact O-CB 3.27Å; I180-I184 PolarHBondContact O-N 3.46Å; I184-F886 HydrophobicContact CD1-CD2 4.1Å; I184-F886 HydrophobicContact CD1-CE2 4.1Å; I184-F886 HydrophobicContact CD1-CG 4.47Å; I184-F886 HydrophobicContact CD1-CZ 4.48Å |
| 185 | G | 89.3 | Confident | 92.9 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 58% | 0.577 | 21% | 0.213 | S | C | * | . | I | π-helix | trans | -91.4 | -59.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I181 | I181-G185 CarbonylContact O-C 3.46Å; I181-G185 WeakPolarHBondContact O-CA 3.11Å; I181-G185 PolarHBondContact O-N 3.11Å |
| 186 | I | 92 | Very high | 92.9 | Very high | 78 Ų | 78 | 39.5 Ų | 39.5 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -86.2 | -59.2 | -168.1 | -61.5 | -178.3 | 0 | 0 | 0 | 111 | W178 I181 P188 W194 | W178-I186 HydrophobicContact CH2-CD1 4.43Å; W178-I186 HydrophobicContact CZ3-CD1 4.42Å; I181-I186 HydrophobicContact CG2-CD1 3.44Å; I181-I186 VanDerWaalsContact CG2-CD1 3.44Å; I181-I186 HydrophobicContact CG2-CG1 3.66Å; I181-I186 PolarHBondContact O-N 3.17Å; I186-P188 WeakPolarHBondContact O-CD 3.36Å; I186-W194 HydrophobicContact CD1-CH2 3.96Å; I186-W194 HydrophobicContact CG2-CH2 3.94Å; I186-W194 HydrophobicContact CG2-CZ2 3.67Å |
| 187 | S | 89.9 | Confident | 92.9 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -124.8 | 79.6 | -178.1 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | N189 Q190 E192 | S187-N189 PolarHBondContact O-N 2.97Å; S187-Q190 WeakPolarHBondContact CB-O 3.29Å; S187-Q190 PolarHBondContact O-N 3.39Å; S187-Q190 VanDerWaalsContact O-N 3.08Å; S187-E192 PolarHBondContact OG-OE1 3.45Å |
| 188 | P | 91.4 | Very high | 93 | Very high | 75 Ų | 75 | 41.7 Ų | 41.7 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 126.3 | -173.2 | -26 | 33.4 | 0 | 0 | 0 | 112.7 | L183 I186 Q190 | L183-P188 WeakPolarHBondContact O-CA 3.49Å; I186-P188 WeakPolarHBondContact O-CD 3.36Å; P188-Q190 PolarHBondContact O-N 3.35Å |
| 189 | N | 90.2 | Very high | 93 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 15.1 | 179.7 | -54.1 | -62.2 | 0 | 0 | 0 | 116.3 | L183 S187 V813 S815 | L183-N189 PolarHBondContact O-N 2.8Å; L183-N189 VanDerWaalsContact O-N 3.17Å; S187-N189 PolarHBondContact O-N 2.97Å; N189-V813 CarbonylContact C-O 3.51Å; N189-V813 VanDerWaalsContact C-O 3.25Å; N189-V813 WeakPolarHBondContact CA-O 3.24Å; N189-V813 CarbonylContact O-C 3.01Å; N189-V813 PolarHBondContact O-N 2.66Å; N189-S815 VanDerWaalsContact OD1-CB 3.32Å; N189-S815 WeakPolarHBondContact OD1-CB 3.06Å; N189-S815 PolarHBondContact OD1-N 2.99Å; N189-S815 PolarHBondContact OD1-OG 2.94Å |
| 190 | Q | 93 | Very high | 93.1 | Very high | 67 Ų | 67 | 42.9 Ų | 42.9 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 146.9 | 176.2 | 68.1 | -176.2 | 17.9 | 0 | 0 | 110.8 | S187 P188 A810 F811 | S187-Q190 WeakPolarHBondContact CB-O 3.29Å; S187-Q190 PolarHBondContact O-N 3.39Å; S187-Q190 VanDerWaalsContact O-N 3.08Å; P188-Q190 PolarHBondContact O-N 3.35Å; Q190-A810 HydrophobicContact CB-CB 4.35Å; Q190-F811 CarbonylContact C-O 3.58Å; Q190-F811 VanDerWaalsContact CA-O 3.24Å; Q190-F811 WeakPolarHBondContact CA-O 3.28Å; Q190-F811 WeakPolarHBondContact CB-O 3.49Å |
| 191 | V | 93.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.8 | 176.6 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | L183 E195 W797 S801 F811 V813 | L183-V191 HydrophobicContact CD2-CG2 4.37Å; V191-E195 WeakPolarHBondContact CA-OE2 3.21Å; V191-E195 HydrophobicContact CG1-CB 4.17Å; V191-W797 HydrophobicContact CG1-CB 4.39Å; V191-W797 HydrophobicContact CG1-CE3 4.33Å; V191-W797 HydrophobicContact CG2-CD2 4.41Å; V191-W797 HydrophobicContact CG2-CE3 3.77Å; V191-W797 HydrophobicContact CG2-CZ3 4Å; V191-S801 WeakPolarHBondContact O-CB 3.25Å; V191-F811 HydrophobicContact CB-CD1 3.99Å; V191-F811 HydrophobicContact CB-CE1 4.48Å; V191-F811 PolarHBondContact N-O 3.33Å; V191-V813 HydrophobicContact CB-CG2 4.29Å; V191-V813 HydrophobicContact CG2-CB 4.23Å; V191-V813 HydrophobicContact CG2-CG2 3.75Å |
| 192 | E | 93.8 | Very high | 93.3 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | trans | -82.4 | 157.2 | 178.1 | -68.3 | 179.1 | -155.2 | 0 | 0 | 111.8 | S187 W194 E195 G196 | S187-E192 PolarHBondContact OG-OE1 3.45Å; E192-W194 VanDerWaalsContact C-N 3.27Å; E192-W194 PolarHBondContact O-N 3.33Å; E192-W194 PolarHBondContact OE2-NE1 2.91Å; E192-E195 HydrophobicContact CB-CG 4.2Å; E192-E195 PolarHBondContact N-OE2 3.4Å; E192-E195 WeakPolarHBondContact O-CB 3.02Å; E192-E195 PolarHBondContact O-N 3.48Å; E192-E195 VanDerWaalsContact O-N 3.1Å; E192-G196 PolarHBondContact O-N 2.81Å; E192-G196 VanDerWaalsContact O-N 3.16Å | ||
| 193 | V | 94.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 46 Ų | 46 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.7 | -41.8 | -176.8 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | E195 G196 V197 F798 V802 A805 | V193-E195 VanDerWaalsContact C-N 3.32Å; V193-E195 PolarHBondContact O-N 3.36Å; V193-G196 PolarHBondContact O-N 3.48Å; V193-V197 WeakPolarHBondContact O-CG2 3.39Å; V193-V197 PolarHBondContact O-N 2.92Å; V193-F798 HydrophobicContact CG1-CD2 4.46Å; V193-F798 HydrophobicContact CG1-CE2 4.1Å; V193-V802 HydrophobicContact CG1-CG2 3.85Å; V193-V802 HydrophobicContact CG2-CG2 4.47Å; V193-A805 HydrophobicContact CG2-CB 3.7Å |
| 194 | W | 95.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 50 Ų | 50 | 43% | 0.432 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.5 | -31 | -178.7 | 71.8 | -92.9 | 0 | 0 | 0 | 112.2 | W178 I186 E192 V197 L198 | W178-W194 HydrophobicContact CH2-CZ3 4.28Å; I186-W194 HydrophobicContact CD1-CH2 3.96Å; I186-W194 HydrophobicContact CG2-CH2 3.94Å; I186-W194 HydrophobicContact CG2-CZ2 3.67Å; E192-W194 VanDerWaalsContact C-N 3.27Å; E192-W194 PolarHBondContact O-N 3.33Å; E192-W194 PolarHBondContact OE2-NE1 2.91Å; W194-V197 PolarHBondContact O-N 3.38Å; W194-L198 HydrophobicContact CE3-CD2 4.39Å; W194-L198 HydrophobicContact CZ3-CD2 4.02Å; W194-L198 VanDerWaalsContact O-CB 3.28Å; W194-L198 WeakPolarHBondContact O-CB 3.29Å; W194-L198 PolarHBondContact O-N 2.78Å |
| 195 | E | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 174.2 | -62.7 | 178.1 | 131.2 | 0 | 0 | 110.2 | I182 V191 E192 V193 L198 T199 | I182-E195 HydrophobicContact CG2-CB 4.15Å; I182-E195 HydrophobicContact CG2-CG 4.17Å; V191-E195 WeakPolarHBondContact CA-OE2 3.21Å; V191-E195 HydrophobicContact CG1-CB 4.17Å; E192-E195 HydrophobicContact CB-CG 4.2Å; E192-E195 PolarHBondContact N-OE2 3.4Å; E192-E195 WeakPolarHBondContact O-CB 3.02Å; E192-E195 PolarHBondContact O-N 3.48Å; E192-E195 VanDerWaalsContact O-N 3.1Å; V193-E195 VanDerWaalsContact C-N 3.32Å; V193-E195 PolarHBondContact O-N 3.36Å; E195-L198 PolarHBondContact O-N 2.82Å; E195-T199 WeakPolarHBondContact O-CB 3.31Å; E195-T199 PolarHBondContact O-N 2.77Å; E195-T199 PolarHBondContact O-OG1 2.91Å |
| 196 | G | 93.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E192 V193 L198 T199 L200 | E192-G196 PolarHBondContact O-N 2.81Å; E192-G196 VanDerWaalsContact O-N 3.16Å; V193-G196 PolarHBondContact O-N 3.48Å; G196-L198 PolarHBondContact O-N 2.86Å; G196-T199 WeakPolarHBondContact O-CB 3.38Å; G196-T199 PolarHBondContact O-N 2.64Å; G196-L200 PolarHBondContact O-N 2.92Å |
| 197 | V | 95.3 | Very high | 93.7 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 35% | 0.345 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 176.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | V193 W194 T199 L200 L201 F798 | V193-V197 WeakPolarHBondContact O-CG2 3.39Å; V193-V197 PolarHBondContact O-N 2.92Å; W194-V197 PolarHBondContact O-N 3.38Å; V197-T199 VanDerWaalsContact C-N 3.31Å; V197-T199 PolarHBondContact O-N 2.72Å; V197-L200 WeakPolarHBondContact O-CB 3.22Å; V197-L200 PolarHBondContact O-N 2.85Å; V197-L201 HydrophobicContact CG1-CD1 4.02Å; V197-L201 HydrophobicContact CG1-CG 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 2.79Å; V197-F798 HydrophobicContact CG2-CD2 3.68Å; V197-F798 HydrophobicContact CG2-CE2 3.35Å; V197-F798 HydrophobicContact CG2-CZ 4.28Å |
| 198 | L | 95.8 | Very high | 93.7 | Very high | 52 Ų | 52 | 47 Ų | 47 | 27% | 0.272 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | -178.3 | -173.9 | 58.5 | 0 | 0 | 0 | 111.7 | W178 W194 E195 G196 L200 L201 F202 | W178-L198 HydrophobicContact CH2-CD2 3.54Å; W178-L198 HydrophobicContact CH2-CG 4.36Å; W178-L198 HydrophobicContact CZ2-CB 4.29Å; W178-L198 HydrophobicContact CZ2-CD2 3.79Å; W178-L198 HydrophobicContact CZ2-CG 4.14Å; W178-L198 HydrophobicContact CZ3-CD2 4.36Å; W194-L198 HydrophobicContact CE3-CD2 4.39Å; W194-L198 HydrophobicContact CZ3-CD2 4.02Å; W194-L198 VanDerWaalsContact O-CB 3.28Å; W194-L198 WeakPolarHBondContact O-CB 3.29Å; W194-L198 PolarHBondContact O-N 2.78Å; E195-L198 PolarHBondContact O-N 2.82Å; G196-L198 PolarHBondContact O-N 2.86Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 3.3Å; L198-L201 PolarHBondContact O-N 2.68Å; L198-L201 VanDerWaalsContact O-N 3.16Å; L198-F202 HydrophobicContact CD1-CE1 4.02Å; L198-F202 HydrophobicContact CD1-CE2 4.39Å; L198-F202 HydrophobicContact CD1-CZ 3.92Å; L198-F202 HydrophobicContact CD2-CE2 4.22Å; L198-F202 HydrophobicContact CD2-CZ 3.97Å; L198-F202 HydrophobicContact CG-CD2 4.39Å; L198-F202 HydrophobicContact CG-CE1 4.27Å; L198-F202 HydrophobicContact CG-CE2 3.76Å; L198-F202 HydrophobicContact CG-CZ 3.68Å; L198-F202 WeakPolarHBondContact O-CD2 3.41Å; L198-F202 WeakPolarHBondContact O-CG 3.02Å; L198-F202 PolarHBondContact O-N 3.42Å |
| 199 | T | 95.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57 | -44.6 | 172.7 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | W178 E195 G196 V197 F202 F790 | W178-T199 PolarHBondContact NE1-OG1 3.5Å; E195-T199 WeakPolarHBondContact O-CB 3.31Å; E195-T199 PolarHBondContact O-N 2.77Å; E195-T199 PolarHBondContact O-OG1 2.91Å; G196-T199 WeakPolarHBondContact O-CB 3.38Å; G196-T199 PolarHBondContact O-N 2.64Å; V197-T199 VanDerWaalsContact C-N 3.31Å; V197-T199 PolarHBondContact O-N 2.72Å; T199-F202 PolarHBondContact O-N 3.48Å; T199-F790 HydrophobicContact CG2-CD1 4.29Å |
| 200 | L | 94.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -37.3 | 175.3 | -69 | 170.3 | 0 | 0 | 0 | 112.5 | G196 V197 L198 F202 F203 L791 L795 F798 | G196-L200 PolarHBondContact O-N 2.92Å; V197-L200 WeakPolarHBondContact O-CB 3.22Å; V197-L200 PolarHBondContact O-N 2.85Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 3.3Å; L200-F202 VanDerWaalsContact C-N 3.31Å; L200-F202 PolarHBondContact O-N 3.15Å; L200-F203 WeakPolarHBondContact O-CB 3.24Å; L200-F203 PolarHBondContact O-N 3.38Å; L200-L791 HydrophobicContact CD2-CD1 4.09Å; L200-L795 HydrophobicContact CD2-CB 4.18Å; L200-F798 HydrophobicContact CD1-CB 3.92Å; L200-F798 HydrophobicContact CD1-CD1 3.88Å; L200-F798 HydrophobicContact CD1-CG 3.91Å |
| 201 | L | 95.7 | Very high | 93.3 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 51% | 0.508 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.2 | -32.4 | 176.4 | -71.2 | 175.3 | 0 | 0 | 0 | 112.4 | V197 L198 F203 V204 A205 | V197-L201 HydrophobicContact CG1-CD1 4.02Å; V197-L201 HydrophobicContact CG1-CG 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 2.79Å; L198-L201 PolarHBondContact O-N 2.68Å; L198-L201 VanDerWaalsContact O-N 3.16Å; L201-F203 PolarHBondContact O-N 3.28Å; L201-V204 WeakPolarHBondContact O-CB 3.29Å; L201-V204 PolarHBondContact O-N 2.94Å; L201-V204 VanDerWaalsContact O-N 3.11Å; L201-A205 PolarHBondContact O-N 3.47Å |
| 202 | F | 96 | Very high | 93.1 | Very high | 35 Ų | 35 | 49 Ų | 49 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -30.3 | 174.2 | -71.6 | -36.3 | 0 | 0 | 0 | 113.2 | W171 F174 W178 L198 T199 L200 A205 L206 F790 | W171-F202 HydrophobicContact CH2-CD1 4.11Å; W171-F202 HydrophobicContact CZ3-CB 3.89Å; W171-F202 AromaticContact CZ3-CD1 3.86Å; W171-F202 HydrophobicContact CZ3-CD1 3.86Å; W171-F202 HydrophobicContact CZ3-CG 4.07Å; F174-F202 HydrophobicContact CE1-CD1 4.15Å; F174-F202 AromaticContact CE1-CD2 3.83Å; F174-F202 HydrophobicContact CE1-CD2 3.83Å; F174-F202 HydrophobicContact CE1-CE1 4.08Å; F174-F202 AromaticContact CE1-CE2 3.73Å; F174-F202 HydrophobicContact CE1-CE2 3.73Å; F174-F202 HydrophobicContact CE1-CG 4.05Å; F174-F202 AromaticContact CE1-CZ 3.87Å; F174-F202 HydrophobicContact CE1-CZ 3.87Å; F174-F202 HydrophobicContact CZ-CD2 4.45Å; F174-F202 HydrophobicContact CZ-CE1 4.33Å; F174-F202 AromaticContact CZ-CE2 3.89Å; F174-F202 HydrophobicContact CZ-CE2 3.89Å; F174-F202 AromaticContact CZ-CZ 3.83Å; F174-F202 HydrophobicContact CZ-CZ 3.83Å; W178-F202 HydrophobicContact CD2-CD2 4.28Å; W178-F202 AromaticContact CD2-CE2 3.58Å; W178-F202 HydrophobicContact CD2-CE2 3.58Å; W178-F202 AromaticContact CE2-CE2 3.65Å; W178-F202 AromaticContact CE3-CE2 3.89Å; W178-F202 HydrophobicContact CE3-CE2 3.89Å; W178-F202 HydrophobicContact CE3-CZ 4.48Å; W178-F202 HydrophobicContact CG-CD2 4.26Å; W178-F202 AromaticContact CG-CE2 3.99Å; W178-F202 HydrophobicContact CG-CE2 3.99Å; W178-F202 HydrophobicContact CH2-CE2 4.35Å; W178-F202 HydrophobicContact CZ2-CE2 4.05Å; W178-F202 HydrophobicContact CZ3-CE2 4.27Å; L198-F202 HydrophobicContact CD1-CE1 4.02Å; L198-F202 HydrophobicContact CD1-CE2 4.39Å; L198-F202 HydrophobicContact CD1-CZ 3.92Å; L198-F202 HydrophobicContact CD2-CE2 4.22Å; L198-F202 HydrophobicContact CD2-CZ 3.97Å; L198-F202 HydrophobicContact CG-CD2 4.39Å; L198-F202 HydrophobicContact CG-CE1 4.27Å; L198-F202 HydrophobicContact CG-CE2 3.76Å; L198-F202 HydrophobicContact CG-CZ 3.68Å; L198-F202 WeakPolarHBondContact O-CD2 3.41Å; L198-F202 WeakPolarHBondContact O-CG 3.02Å; L198-F202 PolarHBondContact O-N 3.42Å; T199-F202 PolarHBondContact O-N 3.48Å; L200-F202 VanDerWaalsContact C-N 3.31Å; L200-F202 PolarHBondContact O-N 3.15Å; F202-A205 PolarHBondContact O-N 2.65Å; F202-L206 WeakPolarHBondContact O-CB 3.03Å; F202-L206 PolarHBondContact O-N 2.86Å; F202-F790 HydrophobicContact CB-CD1 3.66Å; F202-F790 HydrophobicContact CB-CE1 3.54Å; F202-F790 HydrophobicContact CB-CE2 4.4Å; F202-F790 HydrophobicContact CB-CG 4.19Å; F202-F790 HydrophobicContact CB-CZ 3.95Å; F202-F790 HydrophobicContact CD2-CE1 4.06Å; F202-F790 HydrophobicContact CG-CE1 4.19Å |
| 203 | F | 93.1 | Very high | 92.8 | Very high | 33 Ų | 33 | 47 Ų | 47 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 170.5 | 178.8 | -119.9 | 0 | 0 | 0 | 111.8 | T99 L200 L201 A205 L206 V207 V787 F790 | T99-F203 HydrophobicContact CG2-CE1 4.45Å; T99-F203 HydrophobicContact CG2-CZ 3.95Å; L200-F203 WeakPolarHBondContact O-CB 3.24Å; L200-F203 PolarHBondContact O-N 3.38Å; L201-F203 PolarHBondContact O-N 3.28Å; F203-A205 VanDerWaalsContact C-N 3.32Å; F203-A205 PolarHBondContact O-N 3.01Å; F203-L206 WeakPolarHBondContact O-CB 3.46Å; F203-L206 PolarHBondContact O-N 3.37Å; F203-V207 HydrophobicContact CD2-CG2 4.36Å; F203-V207 HydrophobicContact CE1-CG2 4.49Å; F203-V207 HydrophobicContact CE2-CG2 3.98Å; F203-V207 HydrophobicContact CZ-CG2 4.08Å; F203-V207 WeakPolarHBondContact O-CG2 3.33Å; F203-V207 PolarHBondContact O-N 3.09Å; F203-V787 HydrophobicContact CD2-CG2 4.37Å; F203-V787 HydrophobicContact CE2-CG2 3.72Å; F203-F790 HydrophobicContact CB-CB 3.73Å; F203-F790 HydrophobicContact CB-CG 4.5Å |
| 204 | V | 93.1 | Very high | 92.1 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -43.1 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | L201 L206 V207 V208 | L201-V204 WeakPolarHBondContact O-CB 3.29Å; L201-V204 PolarHBondContact O-N 2.94Å; L201-V204 VanDerWaalsContact O-N 3.11Å; V204-L206 PolarHBondContact O-N 3.3Å; V204-V207 PolarHBondContact O-N 2.7Å; V204-V208 HydrophobicContact CG1-CG2 4.34Å; V204-V208 VanDerWaalsContact O-CG2 3.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.14Å; V204-V208 PolarHBondContact O-N 2.66Å |
| 205 | A | 94.7 | Very high | 91.2 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W171 L201 F202 F203 V208 N209 | W171-A205 HydrophobicContact CH2-CB 3.63Å; W171-A205 HydrophobicContact CZ2-CB 3.96Å; W171-A205 HydrophobicContact CZ3-CB 4.45Å; L201-A205 PolarHBondContact O-N 3.47Å; F202-A205 PolarHBondContact O-N 2.65Å; F203-A205 VanDerWaalsContact C-N 3.32Å; F203-A205 PolarHBondContact O-N 3.01Å; A205-V208 PolarHBondContact O-N 2.88Å; A205-N209 WeakPolarHBondContact O-CB 3.04Å; A205-N209 PolarHBondContact O-N 3.02Å |
| 206 | L | 92.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -51.2 | 172.7 | 160.1 | 62.8 | 0 | 0 | 0 | 111.1 | W171 F202 F203 V204 V208 N209 A210 S786 F790 | W171-L206 HydrophobicContact CB-CB 4.42Å; W171-L206 HydrophobicContact CB-CD1 3.63Å; W171-L206 HydrophobicContact CB-CD2 4.41Å; W171-L206 HydrophobicContact CB-CG 4.36Å; W171-L206 HydrophobicContact CD2-CB 3.91Å; W171-L206 HydrophobicContact CD2-CD1 4.43Å; W171-L206 HydrophobicContact CE3-CB 4.26Å; W171-L206 HydrophobicContact CG-CB 3.97Å; W171-L206 HydrophobicContact CG-CD1 3.61Å; W171-L206 HydrophobicContact CG-CG 4.29Å; F202-L206 WeakPolarHBondContact O-CB 3.03Å; F202-L206 PolarHBondContact O-N 2.86Å; F203-L206 WeakPolarHBondContact O-CB 3.46Å; F203-L206 PolarHBondContact O-N 3.37Å; V204-L206 PolarHBondContact O-N 3.3Å; L206-V208 PolarHBondContact O-N 2.89Å; L206-N209 PolarHBondContact O-N 2.91Å; L206-A210 WeakPolarHBondContact O-CB 3.17Å; L206-A210 PolarHBondContact O-N 2.74Å; L206-S786 VanDerWaalsContact CD2-CB 3.48Å; L206-F790 HydrophobicContact CD2-CD2 4.28Å; L206-F790 HydrophobicContact CD2-CE2 4.34Å |
| 207 | V | 90.2 | Very high | 88.7 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | -177.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V95 T99 F203 V204 Y211 | V95-V207 HydrophobicContact CB-CG1 4.45Å; V95-V207 HydrophobicContact CG1-CG1 3.88Å; V95-V207 HydrophobicContact CG2-CG1 4.16Å; T99-V207 HydrophobicContact CG2-CB 4.39Å; T99-V207 HydrophobicContact CG2-CG1 3.88Å; T99-V207 HydrophobicContact CG2-CG2 3.55Å; F203-V207 HydrophobicContact CD2-CG2 4.36Å; F203-V207 HydrophobicContact CE1-CG2 4.49Å; F203-V207 HydrophobicContact CE2-CG2 3.98Å; F203-V207 HydrophobicContact CZ-CG2 4.08Å; F203-V207 WeakPolarHBondContact O-CG2 3.33Å; F203-V207 PolarHBondContact O-N 3.09Å; V204-V207 PolarHBondContact O-N 2.7Å; V207-Y211 VanDerWaalsContact O-CB 3.28Å; V207-Y211 WeakPolarHBondContact O-CB 3.25Å; V207-Y211 PolarHBondContact O-N 2.67Å |
| 208 | V | 91.6 | Very high | 86.9 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V204 A205 L206 Y211 M212 | V204-V208 HydrophobicContact CG1-CG2 4.34Å; V204-V208 VanDerWaalsContact O-CG2 3.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.14Å; V204-V208 PolarHBondContact O-N 2.66Å; A205-V208 PolarHBondContact O-N 2.88Å; L206-V208 PolarHBondContact O-N 2.89Å; V208-Y211 PolarHBondContact O-N 2.62Å; V208-M212 HydrophobicContact CG1-CE 4.01Å; V208-M212 HydrophobicContact CG1-CG 4.49Å; V208-M212 HydrophobicContact CG1-SD 4.38Å; V208-M212 VanDerWaalsContact O-CG 3.31Å; V208-M212 WeakPolarHBondContact O-CG 3.34Å; V208-M212 PolarHBondContact O-N 2.86Å |
| 209 | N | 92.2 | Very high | 85.3 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.8 | -170.3 | -18 | 0 | 0 | 0 | 112 | V167 W171 A205 L206 M212 T213 | V167-N209 HydrophobicContact CG1-CB 4.22Å; W171-N209 PolarHBondContact NE1-ND2 3.22Å; A205-N209 WeakPolarHBondContact O-CB 3.04Å; A205-N209 PolarHBondContact O-N 3.02Å; L206-N209 PolarHBondContact O-N 2.91Å; N209-M212 PolarHBondContact O-N 3.01Å; N209-T213 WeakPolarHBondContact O-CB 3.43Å; N209-T213 PolarHBondContact O-N 3.17Å; N209-T213 PolarHBondContact O-OG1 2.98Å |
| 210 | A | 87.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T94 L98 V167 L206 T213 S214 | T94-A210 HydrophobicContact CG2-CB 4.1Å; L98-A210 HydrophobicContact CD1-CB 3.18Å; V167-A210 HydrophobicContact CG1-CB 4.35Å; L206-A210 WeakPolarHBondContact O-CB 3.17Å; L206-A210 PolarHBondContact O-N 2.74Å; A210-T213 PolarHBondContact O-N 3.38Å; A210-S214 WeakPolarHBondContact O-CB 3.22Å; A210-S214 PolarHBondContact O-N 3.4Å |
| 211 | Y | 86.7 | Confident | 80.9 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 173.7 | 173.7 | -103.7 | 0 | 0 | 0 | 111.7 | N92 V95 V207 V208 T213 S214 A215 | N92-Y211 HydrophobicContact CB-CD2 3.86Å; N92-Y211 HydrophobicContact CB-CE2 3.77Å; N92-Y211 VanDerWaalsContact ND2-CE2 3.33Å; N92-Y211 WeakPolarHBondContact ND2-CE2 3.07Å; V95-Y211 HydrophobicContact CG2-CD2 3.66Å; V95-Y211 HydrophobicContact CG2-CG 4.07Å; V207-Y211 VanDerWaalsContact O-CB 3.28Å; V207-Y211 WeakPolarHBondContact O-CB 3.25Å; V207-Y211 PolarHBondContact O-N 2.67Å; V208-Y211 PolarHBondContact O-N 2.62Å; Y211-T213 VanDerWaalsContact C-N 3.32Å; Y211-T213 PolarHBondContact O-N 2.9Å; Y211-S214 PolarHBondContact O-N 3.46Å; Y211-A215 WeakPolarHBondContact O-CB 3.15Å; Y211-A215 PolarHBondContact O-N 3.48Å |
| 212 | M | 88.7 | Confident | 78.3 | Confident | 93 Ų | 93 | 65 Ų | 65 | 46% | 0.458 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 178.4 | -72.5 | -171.1 | -62 | 0 | 0 | 111.9 | V208 N209 A215 K216 | V208-M212 HydrophobicContact CG1-CE 4.01Å; V208-M212 HydrophobicContact CG1-CG 4.49Å; V208-M212 HydrophobicContact CG1-SD 4.38Å; V208-M212 VanDerWaalsContact O-CG 3.31Å; V208-M212 WeakPolarHBondContact O-CG 3.34Å; V208-M212 PolarHBondContact O-N 2.86Å; N209-M212 PolarHBondContact O-N 3.01Å; M212-A215 PolarHBondContact O-N 3.19Å; M212-K216 WeakPolarHBondContact O-CB 3.19Å; M212-K216 WeakPolarHBondContact O-CG 3.32Å; M212-K216 PolarHBondContact O-N 2.86Å |
| 213 | T | 86.6 | Confident | 75.5 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 178.5 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | V164 V167 N209 A210 Y211 M217 | V164-T213 HydrophobicContact CG2-CG2 4.28Å; V167-T213 HydrophobicContact CG2-CG2 4.14Å; N209-T213 WeakPolarHBondContact O-CB 3.43Å; N209-T213 PolarHBondContact O-N 3.17Å; N209-T213 PolarHBondContact O-OG1 2.98Å; A210-T213 PolarHBondContact O-N 3.38Å; Y211-T213 VanDerWaalsContact C-N 3.32Å; Y211-T213 PolarHBondContact O-N 2.9Å; T213-M217 HydrophobicContact CG2-CE 4.37Å; T213-M217 PolarHBondContact O-N 2.93Å |
| 214 | S | 80.7 | Confident | 73 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.5 | -175 | 0 | 0 | 0 | 0 | 112.2 | T94 A210 Y211 M217 K218 | T94-S214 WeakPolarHBondContact OG1-CB 3.44Å; T94-S214 PolarHBondContact OG1-OG 3.41Å; A210-S214 WeakPolarHBondContact O-CB 3.22Å; A210-S214 PolarHBondContact O-N 3.4Å; Y211-S214 PolarHBondContact O-N 3.46Å; S214-M217 PolarHBondContact O-N 2.87Å; S214-K218 PolarHBondContact O-N 3.23Å |
| 215 | A | 76.7 | Confident | 70.2 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y211 M212 M217 K218 I219 | Y211-A215 WeakPolarHBondContact O-CB 3.15Å; Y211-A215 PolarHBondContact O-N 3.48Å; M212-A215 PolarHBondContact O-N 3.19Å; A215-M217 VanDerWaalsContact C-N 3.3Å; A215-M217 PolarHBondContact O-N 3.16Å; A215-K218 PolarHBondContact O-N 2.68Å; A215-K218 VanDerWaalsContact O-N 3.13Å; A215-I219 PolarHBondContact O-N 2.84Å |
| 216 | K | 74.8 | Confident | 67.3 | Low | 147 Ų | 147 | 80.9 Ų | 80.9 | 64% | 0.639 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.1 | -42.2 | 176.2 | -77 | -179 | 178.9 | -177.9 | 0 | 112.2 | M212 K218 I219 C220 | M212-K216 WeakPolarHBondContact O-CB 3.19Å; M212-K216 WeakPolarHBondContact O-CG 3.32Å; M212-K216 PolarHBondContact O-N 2.86Å; K216-K218 VanDerWaalsContact C-N 3.33Å; K216-K218 PolarHBondContact O-N 3.13Å; K216-I219 PolarHBondContact O-N 3.04Å; K216-C220 PolarHBondContact O-N 3.22Å |
| 217 | M | 60.4 | Low | 64.6 | Low | 51 Ų | 51 | 86.7 Ų | 86.7 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.5 | -31.1 | 178.5 | -76.3 | -159.3 | -76.5 | 0 | 0 | 113.5 | N161 V164 T213 S214 A215 R221 | N161-M217 HydrophobicContact CB-CE 4.1Å; V164-M217 HydrophobicContact CB-CE 4.43Å; V164-M217 HydrophobicContact CG2-CE 3.63Å; T213-M217 HydrophobicContact CG2-CE 4.37Å; T213-M217 PolarHBondContact O-N 2.93Å; S214-M217 PolarHBondContact O-N 2.87Å; A215-M217 VanDerWaalsContact C-N 3.3Å; A215-M217 PolarHBondContact O-N 3.16Å; M217-R221 WeakPolarHBondContact O-CB 3.44Å; M217-R221 WeakPolarHBondContact O-CG 3.24Å; M217-R221 PolarHBondContact O-N 3.46Å; M217-R221 VanDerWaalsContact O-N 3.11Å |
| 218 | K | 59 | Low | 62.1 | Low | 126 Ų | 126 | 90 Ų | 90 | 55% | 0.548 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 174.2 | -73.5 | -175 | 179.2 | -177.9 | 0 | 112.1 | S214 A215 K216 R221 S222 | S214-K218 PolarHBondContact O-N 3.23Å; A215-K218 PolarHBondContact O-N 2.68Å; A215-K218 VanDerWaalsContact O-N 3.13Å; K216-K218 VanDerWaalsContact C-N 3.33Å; K216-K218 PolarHBondContact O-N 3.13Å; K218-R221 PolarHBondContact O-N 3.48Å; K218-S222 PolarHBondContact O-N 3.46Å |
| 219 | I | 60.7 | Low | 59.2 | Low | 127 Ų | 127 | 92.1 Ų | 92.1 | 65% | 0.651 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 177.6 | -62.8 | 167.2 | 0 | 0 | 0 | 110.5 | A215 K216 R221 S222 G223 | A215-I219 PolarHBondContact O-N 2.84Å; K216-I219 PolarHBondContact O-N 3.04Å; I219-R221 VanDerWaalsContact C-N 3.34Å; I219-R221 PolarHBondContact O-N 2.8Å; I219-S222 PolarHBondContact O-N 2.8Å; I219-G223 PolarHBondContact O-N 3.29Å |
| 220 | C | 50.7 | Low | 56.2 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 60% | 0.595 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -30.8 | 177.6 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | K216 K224 | K216-C220 PolarHBondContact O-N 3.22Å; C220-K224 PolarHBondContact O-N 2.99Å |
| 221 | R | 48.3 | Very low | 53.4 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.2 | -34.1 | 176.1 | -82.2 | -176 | 172.8 | -172.7 | -3.4 | 112.5 | E160 M217 K218 I219 K224 R225 | E160-R221 IonicContact OE2-NH2 2.81Å; M217-R221 WeakPolarHBondContact O-CB 3.44Å; M217-R221 WeakPolarHBondContact O-CG 3.24Å; M217-R221 PolarHBondContact O-N 3.46Å; M217-R221 VanDerWaalsContact O-N 3.11Å; K218-R221 PolarHBondContact O-N 3.48Å; I219-R221 VanDerWaalsContact C-N 3.34Å; I219-R221 PolarHBondContact O-N 2.8Å; R221-K224 PolarHBondContact O-N 3.4Å; R221-R225 PolarHBondContact O-N 3.08Å |
| 222 | S | 41.2 | Very low | 50.5 | Low | 73 Ų | 73 | 109 Ų | 109 | 51% | 0.51 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.5 | -45.8 | 174.8 | -150.5 | 0 | 0 | 0 | 0 | 110.8 | K218 I219 K224 R225 D226 | K218-S222 PolarHBondContact O-N 3.46Å; I219-S222 PolarHBondContact O-N 2.8Å; S222-K224 VanDerWaalsContact C-N 3.27Å; S222-K224 PolarHBondContact O-N 3.19Å; S222-R225 PolarHBondContact O-N 3.47Å; S222-R225 VanDerWaalsContact O-N 3.14Å; S222-D226 PolarHBondContact O-N 3.35Å |
| 223 | G | 35.9 | Very low | 47.6 | Very low | 45 Ų | 45 | 111.3 Ų | 111.3 | 46% | 0.464 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.2 | -24 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I219 | I219-G223 PolarHBondContact O-N 3.29Å |
| 224 | K | 40.6 | Very low | 44.6 | Very low | 173 Ų | 173 | 117.8 Ų | 117.8 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -85.2 | -19.1 | 175.1 | -84.6 | -174.3 | 175.5 | -178.1 | 0 | 114.4 | C220 R221 S222 | C220-K224 PolarHBondContact O-N 2.99Å; R221-K224 PolarHBondContact O-N 3.4Å; S222-K224 VanDerWaalsContact C-N 3.27Å; S222-K224 PolarHBondContact O-N 3.19Å |
| 225 | R | 33.7 | Very low | 42 | Very low | 195 Ų | 195 | 122.5 Ų | 122.5 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.2 | -29.7 | 178.4 | -119.4 | 178.4 | -170.3 | 168.3 | 1.9 | 112 | R221 S222 D227 T229 | R221-R225 PolarHBondContact O-N 3.08Å; S222-R225 PolarHBondContact O-N 3.47Å; S222-R225 VanDerWaalsContact O-N 3.14Å; R225-D227 VanDerWaalsContact C-N 3.32Å; R225-D227 PolarHBondContact O-N 3.4Å; R225-T229 PolarHBondContact O-OG1 3.08Å |
| 226 | D | 35.4 | Very low | 39.6 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.5 | -20.3 | -180 | -60.2 | -23.5 | 0 | 0 | 0 | 112.7 | S222 | S222-D226 PolarHBondContact O-N 3.35Å |
| 227 | D | 35.7 | Very low | 37.6 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -91.3 | -29 | 175.4 | -95.8 | -13.5 | 0 | 0 | 0 | 114.2 | R225 | R225-D227 VanDerWaalsContact C-N 3.32Å; R225-D227 PolarHBondContact O-N 3.4Å |
| 228 | A | 36.5 | Very low | 36.2 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -88 | -2.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 229 | T | 32.5 | Very low | 34.7 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 14 | 178.2 | -25.5 | 0 | 0 | 0 | 0 | 112.3 | R225 | R225-T229 PolarHBondContact O-OG1 3.08Š|
| 230 | R | 29 | Very low | 33.3 | Very low | 207 Ų | 207 | 131.3 Ų | 131.3 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | trans | -102.5 | 5 | -174.9 | -128.8 | 173.7 | -179.8 | 161 | 0.2 | 115 | ||||
| 231 | E | 26.9 | Very low | 32.2 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -114.1 | 114.7 | 169.4 | -71.3 | -176.5 | 162.4 | 0 | 0 | 109.9 | ||
| 232 | T | 26.1 | Very low | 31.3 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 89.4 | 54.4 | 163.9 | -10.4 | 0 | 0 | 0 | 0 | 119.8 | ||
| 233 | V | 27.2 | Very low | 30.7 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -143.5 | 96.9 | 134.8 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 234 | Q | 23.9 | Very low | 30.4 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -58.3 | 125 | 171.1 | -151 | 86.6 | 5.6 | 0 | 0 | 109.2 | T236 | Q234-T236 PolarHBondContact O-N 3.44Å; Q234-T236 VanDerWaalsContact O-N 3.12Å | ||
| 235 | P | 26.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -77.5 | 101.3 | 167.7 | 30.7 | -27.2 | 0 | 0 | 0 | 106.9 | I237 | P235-I237 PolarHBondContact O-N 3.13Š| ||
| 236 | T | 26.7 | Very low | 29.5 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -78 | 74.9 | 167.4 | -30.1 | 0 | 0 | 0 | 0 | 108.3 | Q234 | Q234-T236 PolarHBondContact O-N 3.44Å; Q234-T236 VanDerWaalsContact O-N 3.12Å | ||
| 237 | I | 31.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -108.6 | 97 | 159 | -60.7 | 179.9 | 0 | 0 | 0 | 105.7 | P235 A239 | P235-I237 PolarHBondContact O-N 3.13Å; I237-A239 PolarHBondContact O-N 2.71Å; I237-A239 VanDerWaalsContact O-N 3.11Å | ||
| 238 | V | 31.9 | Very low | 28.9 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -63 | 108.3 | 166.5 | 173.5 | 0 | 0 | 0 | 0 | 106.8 | K240 | V238-K240 PolarHBondContact O-N 3.11Š| ||
| 239 | A | 27.2 | Very low | 28.4 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -59.7 | 119.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | I237 | I237-A239 PolarHBondContact O-N 2.71Å; I237-A239 VanDerWaalsContact O-N 3.11Å | ||
| 240 | K | 31.1 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -162.7 | 115.1 | 147.9 | -109.1 | 165.2 | -173.4 | -178.4 | 0 | 111 | V238 | V238-K240 PolarHBondContact O-N 3.11Š| ||
| 241 | N | 28.3 | Very low | 28.3 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 87.7 | 95.9 | 152.9 | -55.7 | -11.1 | 0 | 0 | 0 | 117.6 | K243 | N241-K243 PolarHBondContact O-N 3.39Š| ||
| 242 | A | 28.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -49.6 | 120 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 243 | K | 28.4 | Very low | 28.5 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -179.6 | -8.8 | 143.1 | -103.9 | 173.3 | -179.3 | -173.5 | 0 | 116.3 | N241 | N241-K243 PolarHBondContact O-N 3.39Š| ||
| 244 | D | 29.9 | Very low | 28.5 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -126.2 | 75.4 | -173.9 | -53.9 | -41.8 | 0 | 0 | 0 | 111.5 | ||||
| 245 | L | 30.3 | Very low | 28.7 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | trans | -163 | 50.4 | 160.5 | -131 | 81.3 | 0 | 0 | 0 | 111.5 | ||||
| 246 | E | 26.4 | Very low | 28.7 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -96.9 | 148.9 | 150.9 | -77.3 | 178.8 | 150.6 | 0 | 0 | 106.3 | ||||
| 247 | V | 28.5 | Very low | 28.7 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 92 | 74.5 | -175.1 | -164.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 248 | A | 29.7 | Very low | 28.4 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | 175.9 | 43.8 | 124.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 249 | S | 25.9 | Very low | 28.2 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 55% | 0.545 | 76% | 0.76 | S | S | . | * | trans | -92.3 | 89.4 | 165.6 | 57.7 | 0 | 0 | 0 | 0 | 109.2 | E77 | E77-S249 WeakPolarHBondContact OE1-CA 3.32Å; E77-S249 WeakPolarHBondContact OE1-CB 3.41Å | ||
| 250 | S | 27.9 | Very low | 28.2 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 174.9 | 101.2 | 163.1 | -88.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 251 | E | 31.6 | Very low | 27.8 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -171.6 | 8.4 | 146.4 | -112.6 | 174.5 | -171.3 | 0 | 0 | 117.9 | ||||
| 252 | K | 29.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 51% | 0.513 | 76% | 0.759 | S | S | . | * | trans | -95 | 101.9 | 170.3 | -83.2 | 173.1 | -176.9 | 169.1 | 0 | 109.4 | D75 T78 | D75-K252 IonicContact OD1-NZ 3.72Å; D75-K252 VanDerWaalsContact OD2-CD 3.24Å; D75-K252 WeakPolarHBondContact OD2-CD 3.4Å; D75-K252 IonicContact OD2-NZ 3.84Å; D75-K252 PolarHBondContact OD2-NZ 3.14Å; T78-K252 WeakPolarHBondContact CB-O 3.45Å; T78-K252 HydrophobicContact CG2-CB 3.06Å; T78-K252 HydrophobicContact CG2-CD 3.54Å; T78-K252 HydrophobicContact CG2-CG 4.01Å; T78-K252 WeakPolarHBondContact CG2-O 3.39Å | ||
| 253 | K | 27.3 | Very low | 27.5 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 70% | 0.7 | 75% | 0.751 | S | S | * | * | trans | -172.3 | 85.7 | 159.6 | -104.4 | -178.6 | -166.2 | 177.9 | 0 | 109.7 | T78 | T78-K253 WeakPolarHBondContact O-CE 3.33Å; T78-K253 WeakPolarHBondContact O-CG 3.11Å | ||
| 254 | R | 26.6 | Very low | 27.3 | Very low | 226 Ų | 226 | 146.6 Ų | 146.6 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -171.6 | 147 | 152.7 | -114.8 | 163.9 | -172.9 | 173.6 | 2.4 | 113.3 | ||||
| 255 | Y | 28.8 | Very low | 27.1 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 55% | 0.553 | 75% | 0.75 | S | S | * | * | trans | 92.1 | 75.8 | 176.5 | -48.1 | -66.9 | 0 | 0 | 0 | 116.9 | Y629 | Y255-Y629 HydrophobicContact CE2-CD2 4.17Å; Y255-Y629 HydrophobicContact CE2-CG 4.43Å; Y255-Y629 VanDerWaalsContact OH-CB 3.26Å; Y255-Y629 WeakPolarHBondContact OH-CB 3.37Å | ||
| 256 | S | 25.8 | Very low | 26.9 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | trans | -123.8 | 26.1 | 174.5 | 73.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 257 | W | 26.8 | Very low | 26.9 | Very low | 233 Ų | 233 | 138.9 Ų | 138.9 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | trans | -146.3 | 46.7 | -168.8 | -55.7 | 107.5 | 0 | 0 | 0 | 118.4 | ||||
| 258 | L | 26 | Very low | 26.8 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | trans | -130.1 | 109.5 | 167.2 | -82.4 | 162.3 | 0 | 0 | 0 | 112.1 | Y631 | L258-Y631 HydrophobicContact CD1-CE2 4.32Å; L258-Y631 WeakPolarHBondContact CD1-OH 3.14Å | ||
| 259 | P | 28.2 | Very low | 26.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | -91.6 | 159 | 172.3 | 35.9 | -29.8 | 0 | 0 | 0 | 111.5 | ||||
| 260 | K | 26.3 | Very low | 27.3 | Very low | 166 Ų | 166 | 133 Ų | 133 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | trans | 106.7 | 118.9 | 144.9 | -84.9 | 169.3 | 168.1 | -171.7 | 0 | 121 | ||||
| 261 | F | 23.3 | Very low | 27.5 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | trans | 77.8 | 86.5 | 143.4 | -53.3 | -54.5 | 0 | 0 | 0 | 119.5 | ||||
| 262 | A | 24.7 | Very low | 27.8 | Very low | 97 Ų | 97 | 125 Ų | 125 | 80% | 0.802 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -158 | 106.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 263 | D | 25.1 | Very low | 28.6 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 65% | 0.652 | 63% | 0.625 | S | S | * | * | trans | 62.7 | 84.7 | 151.3 | -134.5 | -15.5 | 0 | 0 | 0 | 120.3 | S265 | D263-S265 PolarHBondContact O-N 3.5Å; D263-S265 PolarHBondContact OD1-OG 3.41Å; D263-S265 VanDerWaalsContact OD1-OG 3.07Å | ||
| 264 | D | 24 | Very low | 29.7 | Very low | 175 Ų | 175 | 115.3 Ų | 115.3 | 94% | 0.936 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 15.1 | -178.4 | -106.3 | -20.9 | 0 | 0 | 0 | 115.9 | ||
| 265 | S | 26.5 | Very low | 30.9 | Very low | 100 Ų | 100 | 107 Ų | 107 | 70% | 0.699 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -4.2 | -171.8 | 60.7 | 0 | 0 | 0 | 0 | 115.4 | D263 | D263-S265 PolarHBondContact O-N 3.5Å; D263-S265 PolarHBondContact OD1-OG 3.41Å; D263-S265 VanDerWaalsContact OD1-OG 3.07Å |
| 266 | S | 26.5 | Very low | 32 | Very low | 83 Ų | 83 | 105.1 Ų | 105.1 | 58% | 0.58 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -120.4 | 1.4 | -168.6 | 48.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 267 | Q | 26.1 | Very low | 33.4 | Very low | 171 Ų | 171 | 101.1 Ų | 101.1 | 80% | 0.799 | 55% | 0.55 | S | S | * | . | trans | -102 | 13.3 | -170.7 | -74.6 | -172.5 | 2.4 | 0 | 0 | 117.4 | L269 | Q267-L269 PolarHBondContact O-N 3.22Š| ||
| 268 | A | 26.1 | Very low | 34.8 | Very low | 77 Ų | 77 | 93.2 Ų | 93.2 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | trans | -84.1 | 18.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 269 | L | 29.1 | Very low | 36.4 | Very low | 82 Ų | 82 | 95 Ų | 95 | 43% | 0.429 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -120.5 | 108.3 | -171.3 | -91.4 | 143.6 | 0 | 0 | 0 | 112.4 | Q267 A655 L659 | Q267-L269 PolarHBondContact O-N 3.22Å; L269-A655 HydrophobicContact CD2-CB 3.71Å; L269-L659 HydrophobicContact CD2-CD1 3.36Å; L269-L659 HydrophobicContact CG-CD1 4.21Å |
| 270 | L | 36.7 | Very low | 38.1 | Very low | 36 Ų | 36 | 91.2 Ų | 91.2 | 19% | 0.188 | 50% | 0.496 | C | S | . | . | trans | 73.9 | 72.8 | 148.3 | -53.4 | 165.8 | 0 | 0 | 0 | 120.6 | N273 D274 A655 | L270-N273 HydrophobicContact CD2-CB 4.22Å; L270-D274 VanDerWaalsContact O-CG 3.31Å; L270-A655 HydrophobicContact CD1-CB 4.09Å | ||
| 271 | P | 31.8 | Very low | 39.7 | Very low | 50 Ų | 50 | 84.8 Ų | 84.8 | 33% | 0.325 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -82.9 | -35.2 | 160.6 | -21.3 | 31 | 0 | 0 | 0 | 116.1 | E87 | E87-P271 VanDerWaalsContact CD-CG 3.5Å; E87-P271 HydrophobicContact CG-CB 3.98Å; E87-P271 HydrophobicContact CG-CG 4.46Å; E87-P271 WeakPolarHBondContact OE1-CB 3.24Å; E87-P271 WeakPolarHBondContact OE1-CD 3.08Å; E87-P271 WeakPolarHBondContact OE1-CG 3.41Å; E87-P271 VanDerWaalsContact OE2-CD 3.26Å; E87-P271 WeakPolarHBondContact OE2-CD 3.4Å |
| 272 | D | 38.8 | Very low | 41.5 | Very low | 73 Ų | 73 | 82.6 Ų | 82.6 | 39% | 0.39 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -17 | -171.6 | -119.6 | 15.3 | 0 | 0 | 0 | 115.4 | E87 | E87-D272 HydrophobicContact CB-CB 3.8Å; E87-D272 HydrophobicContact CG-CB 3.8Å; E87-D272 VanDerWaalsContact O-OD2 3.1Å; E87-D272 WeakPolarHBondContact OE2-CB 3.34Å; E87-D272 PolarHBondContact OE2-N 3.23Å |
| 273 | N | 46.7 | Very low | 43.2 | Very low | 29 Ų | 29 | 82.3 Ų | 82.3 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -18.7 | 173.1 | -88.3 | -41.8 | 0 | 0 | 0 | 111.6 | L270 A275 K276 V277 R658 | L270-N273 HydrophobicContact CD2-CB 4.22Å; N273-A275 PolarHBondContact O-N 2.78Å; N273-K276 CarbonylContact O-C 3.28Å; N273-K276 PolarHBondContact O-N 3.4Å; N273-V277 HydrophobicContact CB-CG2 4.05Å; N273-V277 WeakPolarHBondContact O-CB 3.38Å; N273-V277 WeakPolarHBondContact O-CG2 3.37Å; N273-V277 PolarHBondContact O-N 3.03Å; N273-R658 PolarHBondContact ND2-NH1 3.4Å; N273-R658 PolarHBondContact ND2-NH2 3.34Å |
| 274 | D | 49.5 | Very low | 45 | Very low | 47 Ų | 47 | 77.5 Ų | 77.5 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | -174.2 | -97 | 18.7 | 0 | 0 | 0 | 111.6 | L270 K276 V277 D278 K651 | L270-D274 VanDerWaalsContact O-CG 3.31Å; D274-K276 VanDerWaalsContact C-N 3.32Å; D274-K276 PolarHBondContact O-N 3.25Å; D274-V277 PolarHBondContact O-N 2.73Å; D274-D278 WeakPolarHBondContact O-CA 3.25Å; D274-D278 WeakPolarHBondContact O-CB 3.4Å; D274-D278 PolarHBondContact O-N 3.15Å; D274-D278 VanDerWaalsContact O-OD2 3.09Å; D274-K651 VanDerWaalsContact CG-NZ 3.3Å; D274-K651 IonicContact OD1-NZ 2.79Å; D274-K651 IonicContact OD2-NZ 3.99Å; D274-K651 PolarHBondContact OD2-NZ 3.43Å |
| 275 | A | 51.3 | Low | 46.9 | Very low | 51 Ų | 51 | 73.8 Ų | 73.8 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -29 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N273 R279 | N273-A275 PolarHBondContact O-N 2.78Å; A275-R279 WeakPolarHBondContact O-CB 3.44Å; A275-R279 WeakPolarHBondContact O-CG 3.44Å; A275-R279 PolarHBondContact O-N 3Å; A275-R279 VanDerWaalsContact O-N 3.11Å; A275-R279 PolarHBondContact O-NE 3.46Å |
| 276 | K | 53.3 | Low | 48.4 | Very low | 102 Ų | 102 | 78.5 Ų | 78.5 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -80.4 | -39.5 | 177 | -173.3 | -179.8 | 177.1 | -172.6 | 0 | 111 | N273 D274 L280 D307 | N273-K276 CarbonylContact O-C 3.28Å; N273-K276 PolarHBondContact O-N 3.4Å; D274-K276 VanDerWaalsContact C-N 3.32Å; D274-K276 PolarHBondContact O-N 3.25Å; K276-L280 WeakPolarHBondContact O-CB 3.28Å; K276-L280 PolarHBondContact O-N 3.41Å; K276-D307 IonicContact NZ-OD2 3.56Å; K276-D307 PolarHBondContact NZ-OD2 2.7Å; K276-D307 VanDerWaalsContact NZ-OD2 3.16Å |
| 277 | V | 55.5 | Low | 49.8 | Very low | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.2 | -48.2 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 108.9 | N273 D274 R279 L280 V281 I304 L654 | N273-V277 HydrophobicContact CB-CG2 4.05Å; N273-V277 WeakPolarHBondContact O-CB 3.38Å; N273-V277 WeakPolarHBondContact O-CG2 3.37Å; N273-V277 PolarHBondContact O-N 3.03Å; D274-V277 PolarHBondContact O-N 2.73Å; V277-R279 VanDerWaalsContact C-N 3.35Å; V277-R279 PolarHBondContact O-N 2.79Å; V277-L280 CarbonylContact O-C 3.57Å; V277-L280 PolarHBondContact O-N 2.99Å; V277-L280 VanDerWaalsContact O-N 3.13Å; V277-V281 HydrophobicContact CG1-CG2 4.03Å; V277-V281 VanDerWaalsContact O-CB 3.31Å; V277-V281 WeakPolarHBondContact O-CB 3.43Å; V277-V281 WeakPolarHBondContact O-CG2 3.5Å; V277-V281 PolarHBondContact O-N 3.4Å; V277-I304 HydrophobicContact CB-CD1 4.5Å; V277-I304 HydrophobicContact CG1-CD1 4.39Å; V277-I304 HydrophobicContact CG2-CD1 3.78Å; V277-L654 HydrophobicContact CB-CD2 4.17Å; V277-L654 HydrophobicContact CG1-CD2 3.69Å; V277-L654 HydrophobicContact CG2-CD2 3.3Å |
| 278 | D | 55.6 | Low | 51.3 | Low | 67 Ų | 67 | 71 Ų | 71 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.5 | -67.9 | -23.1 | 0 | 0 | 0 | 110.8 | D274 L280 H282 K651 | D274-D278 WeakPolarHBondContact O-CA 3.25Å; D274-D278 WeakPolarHBondContact O-CB 3.4Å; D274-D278 PolarHBondContact O-N 3.15Å; D274-D278 VanDerWaalsContact O-OD2 3.09Å; D278-L280 PolarHBondContact O-N 2.85Å; D278-H282 WeakPolarHBondContact O-CB 3.1Å; D278-H282 PolarHBondContact O-N 3.5Å; D278-K651 WeakPolarHBondContact OD1-CE 3.38Å; D278-K651 IonicContact OD1-NZ 3.89Å; D278-K651 PolarHBondContact OD1-NZ 2.62Å; D278-K651 VanDerWaalsContact OD1-NZ 3.08Å; D278-K651 IonicContact OD2-NZ 3.7Å; D278-K651 PolarHBondContact OD2-NZ 3.03Å |
| 279 | R | 60.4 | Low | 52.5 | Low | 178 Ų | 178 | 69.9 Ų | 69.9 | 67% | 0.672 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 171.3 | -84 | -177.5 | -91.3 | -169.2 | -10.1 | 112.3 | A275 V277 H282 D283 | A275-R279 WeakPolarHBondContact O-CB 3.44Å; A275-R279 WeakPolarHBondContact O-CG 3.44Å; A275-R279 PolarHBondContact O-N 3Å; A275-R279 VanDerWaalsContact O-N 3.11Å; A275-R279 PolarHBondContact O-NE 3.46Å; V277-R279 VanDerWaalsContact C-N 3.35Å; V277-R279 PolarHBondContact O-N 2.79Å; R279-H282 PolarHBondContact O-N 2.92Å; R279-D283 VanDerWaalsContact O-CB 3.22Å; R279-D283 WeakPolarHBondContact O-CB 3.24Å; R279-D283 PolarHBondContact O-N 3.44Å |
| 280 | L | 62.1 | Low | 53.5 | Low | 27 Ų | 27 | 71.7 Ų | 71.7 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72 | -39.9 | -179.4 | -178.3 | 65.3 | 0 | 0 | 0 | 112.1 | K276 V277 D278 H282 D283 M284 V300 Q303 I304 | K276-L280 WeakPolarHBondContact O-CB 3.28Å; K276-L280 PolarHBondContact O-N 3.41Å; V277-L280 CarbonylContact O-C 3.57Å; V277-L280 PolarHBondContact O-N 2.99Å; V277-L280 VanDerWaalsContact O-N 3.13Å; D278-L280 PolarHBondContact O-N 2.85Å; L280-H282 VanDerWaalsContact C-N 3.31Å; L280-D283 PolarHBondContact O-N 2.9Å; L280-M284 HydrophobicContact CD1-CG 3.89Å; L280-M284 HydrophobicContact CG-CG 4.13Å; L280-M284 WeakPolarHBondContact O-CB 3.36Å; L280-M284 WeakPolarHBondContact O-CG 3.34Å; L280-M284 PolarHBondContact O-N 3.06Å; L280-V300 HydrophobicContact CD2-CG1 4.2Å; L280-V300 HydrophobicContact CG-CG1 4.5Å; L280-Q303 HydrophobicContact CD1-CG 4.1Å; L280-Q303 HydrophobicContact CD2-CB 4.16Å; L280-Q303 HydrophobicContact CD2-CG 4.06Å; L280-I304 HydrophobicContact CD2-CD1 3.93Å; L280-I304 HydrophobicContact CD2-CG1 3.43Å; L280-I304 VanDerWaalsContact CD2-CG1 3.43Å |
| 281 | V | 61.4 | Low | 54.4 | Low | 31 Ų | 31 | 70.8 Ų | 70.8 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 172.8 | 170.2 | 0 | 0 | 0 | 0 | 108.7 | V277 M284 R285 V300 P650 | V277-V281 HydrophobicContact CG1-CG2 4.03Å; V277-V281 VanDerWaalsContact O-CB 3.31Å; V277-V281 WeakPolarHBondContact O-CB 3.43Å; V277-V281 WeakPolarHBondContact O-CG2 3.5Å; V277-V281 PolarHBondContact O-N 3.4Å; V281-M284 PolarHBondContact O-N 3.46Å; V281-R285 WeakPolarHBondContact O-CB 3.31Å; V281-R285 PolarHBondContact O-N 3.28Å; V281-V300 HydrophobicContact CG2-CB 4.41Å; V281-V300 HydrophobicContact CG2-CG1 3.76Å; V281-V300 HydrophobicContact CG2-CG2 3.97Å; V281-P650 HydrophobicContact CG2-CB 4.31Å |
| 282 | H | 60 | Low | 55.6 | Low | 134 Ų | 134 | 71.6 Ų | 71.6 | 62% | 0.62 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 177 | -175.6 | 32 | 0 | 0 | 0 | 111.8 | D278 R279 L280 R285 R286 | D278-H282 WeakPolarHBondContact O-CB 3.1Å; D278-H282 PolarHBondContact O-N 3.5Å; R279-H282 PolarHBondContact O-N 2.92Å; L280-H282 VanDerWaalsContact C-N 3.31Å; H282-R285 PolarHBondContact O-N 3.46Å; H282-R286 WeakPolarHBondContact O-CB 3.41Å; H282-R286 PolarHBondContact O-N 2.64Å |
| 283 | D | 61.7 | Low | 56.5 | Low | 90 Ų | 90 | 71.9 Ų | 71.9 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.7 | -166.1 | 44.2 | 0 | 0 | 0 | 111.6 | R279 L280 R286 K287 | R279-D283 VanDerWaalsContact O-CB 3.22Å; R279-D283 WeakPolarHBondContact O-CB 3.24Å; R279-D283 PolarHBondContact O-N 3.44Å; L280-D283 PolarHBondContact O-N 2.9Å; D283-R286 PolarHBondContact O-N 3.28Å; D283-K287 VanDerWaalsContact O-CB 3.27Å; D283-K287 WeakPolarHBondContact O-CB 3.45Å; D283-K287 PolarHBondContact O-N 3.24Å |
| 284 | M | 63 | Low | 56.9 | Low | 21 Ų | 21 | 76.1 Ų | 76.1 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 176.6 | -67 | -67.9 | -77.7 | 0 | 0 | 111.9 | L280 V281 K287 Y288 L296 L299 V300 | L280-M284 HydrophobicContact CD1-CG 3.89Å; L280-M284 HydrophobicContact CG-CG 4.13Å; L280-M284 WeakPolarHBondContact O-CB 3.36Å; L280-M284 WeakPolarHBondContact O-CG 3.34Å; L280-M284 PolarHBondContact O-N 3.06Å; V281-M284 PolarHBondContact O-N 3.46Å; M284-K287 PolarHBondContact O-N 2.82Å; M284-Y288 HydrophobicContact CE-CD2 4.09Å; M284-Y288 HydrophobicContact CE-CE2 3.69Å; M284-Y288 WeakPolarHBondContact O-CD2 3.2Å; M284-Y288 PolarHBondContact O-N 3.49Å; M284-Y288 HydrophobicContact SD-CD2 4.34Å; M284-Y288 HydrophobicContact SD-CE2 3.88Å; M284-L296 HydrophobicContact CB-CD1 3.63Å; M284-L299 HydrophobicContact CE-CB 3.63Å; M284-L299 HydrophobicContact CE-CD1 4Å; M284-L299 HydrophobicContact CE-CG 4.42Å; M284-V300 HydrophobicContact CB-CG2 4Å; M284-V300 HydrophobicContact CG-CG2 4.01Å |
| 285 | R | 63 | Low | 57.3 | Low | 97 Ų | 97 | 79.9 Ų | 79.9 | 37% | 0.366 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 173.6 | -170.7 | 72.5 | -167 | -150 | 12.3 | 111.1 | V281 H282 K287 Y288 P289 D293 L296 | V281-R285 WeakPolarHBondContact O-CB 3.31Å; V281-R285 PolarHBondContact O-N 3.28Å; H282-R285 PolarHBondContact O-N 3.46Å; R285-K287 VanDerWaalsContact C-N 3.34Å; R285-Y288 CarbonylContact O-C 3.58Å; R285-P289 PolarHBondContact NH2-O 2.94Å; R285-P289 VanDerWaalsContact NH2-O 3.13Å; R285-P289 VanDerWaalsContact O-CA 3.25Å; R285-P289 WeakPolarHBondContact O-CA 3.22Å; R285-P289 VanDerWaalsContact O-N 3.11Å; R285-D293 IonicContact CZ-OD1 2.84Å; R285-D293 IonicContact NH1-OD1 2.74Å; R285-D293 PolarHBondContact NH1-OD1 2.72Å; R285-L296 HydrophobicContact CB-CD2 4.09Å; R285-L296 VanDerWaalsContact CD-CD2 3.48Å; R285-L296 HydrophobicContact CG-CD2 4.39Å |
| 286 | R | 58.2 | Low | 57.9 | Low | 200 Ų | 200 | 77.8 Ų | 77.8 | 76% | 0.755 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 174.1 | -173.5 | -177.9 | -177.2 | -170.4 | 3.1 | 111.2 | H282 D283 | H282-R286 WeakPolarHBondContact O-CB 3.41Å; H282-R286 PolarHBondContact O-N 2.64Å; D283-R286 PolarHBondContact O-N 3.28Å |
| 287 | K | 54.6 | Low | 57.9 | Low | 84 Ų | 84 | 73 Ų | 73 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.7 | -33 | 178.6 | -164.5 | 174.6 | 177.7 | -167.3 | 0 | 112.5 | D283 M284 R285 E345 | D283-K287 VanDerWaalsContact O-CB 3.27Å; D283-K287 WeakPolarHBondContact O-CB 3.45Å; D283-K287 PolarHBondContact O-N 3.24Å; M284-K287 PolarHBondContact O-N 2.82Å; R285-K287 VanDerWaalsContact C-N 3.34Å; K287-E345 IonicContact NZ-OE1 2.82Å; K287-E345 PolarHBondContact NZ-OE1 3.48Å |
| 288 | Y | 59.4 | Low | 58.1 | Low | 13 Ų | 13 | 75.9 Ų | 75.9 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | trans | -137.2 | 71 | -176.5 | -43.9 | -75.2 | 0 | 0 | 0 | 113.2 | M284 R285 Y290 L291 L299 M344 | M284-Y288 HydrophobicContact CE-CD2 4.09Å; M284-Y288 HydrophobicContact CE-CE2 3.69Å; M284-Y288 WeakPolarHBondContact O-CD2 3.2Å; M284-Y288 PolarHBondContact O-N 3.49Å; M284-Y288 HydrophobicContact SD-CD2 4.34Å; M284-Y288 HydrophobicContact SD-CE2 3.88Å; R285-Y288 CarbonylContact O-C 3.58Å; Y288-Y290 PolarHBondContact O-N 3.21Å; Y288-L291 VanDerWaalsContact CB-CD1 3.41Å; Y288-L291 HydrophobicContact CD1-CD1 4.49Å; Y288-L291 HydrophobicContact CG-CD1 4.04Å; Y288-L291 PolarHBondContact O-N 3.41Å; Y288-L299 HydrophobicContact CD2-CD1 4.44Å; Y288-M344 HydrophobicContact CD1-CB 4.04Å; Y288-M344 HydrophobicContact CD1-SD 4.12Å; Y288-M344 HydrophobicContact CE1-CB 4.23Å | ||
| 289 | P | 50.4 | Low | 58.5 | Low | 52 Ų | 52 | 74.4 Ų | 74.4 | 34% | 0.338 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.8 | -173.7 | 24.6 | -33 | 0 | 0 | 0 | 114.4 | R285 | R285-P289 PolarHBondContact NH2-O 2.94Å; R285-P289 VanDerWaalsContact NH2-O 3.13Å; R285-P289 VanDerWaalsContact O-CA 3.25Å; R285-P289 WeakPolarHBondContact O-CA 3.22Å; R285-P289 VanDerWaalsContact O-N 3.11Å |
| 290 | Y | 49.3 | Very low | 58.6 | Low | 120 Ų | 120 | 66 Ų | 66 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.3 | -177.4 | -29.8 | -78.5 | 0 | 0 | 0 | 114.3 | Y288 L353 | Y288-Y290 PolarHBondContact O-N 3.21Å; Y290-L353 HydrophobicContact CE1-CD1 4.39Å; Y290-L353 HydrophobicContact CE1-CD2 3.92Å; Y290-L353 WeakPolarHBondContact OH-CD1 3.43Å; Y290-L353 WeakPolarHBondContact OH-CD2 3.44Å; Y290-L353 WeakPolarHBondContact OH-CG 3.4Å |
| 291 | L | 56.5 | Low | 58.1 | Low | 18 Ų | 18 | 65.8 Ų | 65.8 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -71.6 | 137 | 175.6 | -101.8 | 93.3 | 0 | 0 | 0 | 110 | Y288 R295 L296 L299 M344 | Y288-L291 VanDerWaalsContact CB-CD1 3.41Å; Y288-L291 HydrophobicContact CD1-CD1 4.49Å; Y288-L291 HydrophobicContact CG-CD1 4.04Å; Y288-L291 PolarHBondContact O-N 3.41Å; L291-R295 HydrophobicContact CD2-CB 3.57Å; L291-R295 HydrophobicContact CG-CB 4.16Å; L291-L296 HydrophobicContact CB-CB 4.26Å; L291-L299 HydrophobicContact CD1-CD1 4.45Å; L291-L299 HydrophobicContact CD2-CD1 3.44Å; L291-L299 VanDerWaalsContact CD2-CD1 3.44Å; L291-L299 HydrophobicContact CD2-CG 4.08Å; L291-M344 HydrophobicContact CD1-CE 3.92Å; L291-M344 HydrophobicContact CD1-SD 3.59Å; L291-M344 VanDerWaalsContact CD1-SD 3.59Å |
| 292 | S | 57 | Low | 58 | Low | 67 Ų | 67 | 66.9 Ų | 66.9 | 47% | 0.469 | 31% | 0.313 | S | S | . | . | trans | -59.7 | 148.2 | 166.2 | 67 | 0 | 0 | 0 | 0 | 110 | E294 R295 L296 | S292-E294 PolarHBondContact O-N 3.03Å; S292-E294 VanDerWaalsContact O-N 3.09Å; S292-R295 PolarHBondContact O-N 3.48Å; S292-R295 VanDerWaalsContact OG-CG 3.24Å; S292-R295 WeakPolarHBondContact OG-CG 3.1Å; S292-L296 PolarHBondContact O-N 2.68Å | ||
| 293 | D | 57.5 | Low | 58.1 | Low | 78 Ų | 78 | 63.8 Ų | 63.8 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.5 | -33.8 | -177.2 | -65.4 | -15.9 | 0 | 0 | 0 | 112.1 | R285 T297 | R285-D293 IonicContact CZ-OD1 2.84Å; R285-D293 IonicContact NH1-OD1 2.74Å; R285-D293 PolarHBondContact NH1-OD1 2.72Å; D293-T297 VanDerWaalsContact O-CB 3.29Å; D293-T297 WeakPolarHBondContact O-CB 3.4Å; D293-T297 PolarHBondContact O-N 2.96Å; D293-T297 PolarHBondContact O-OG1 2.84Å |
| 294 | E | 55.6 | Low | 57.9 | Low | 118 Ų | 118 | 59.9 Ų | 59.9 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 175.1 | -158.4 | -172.9 | 177.8 | 0 | 0 | 112.4 | S292 T297 D298 R653 | S292-E294 PolarHBondContact O-N 3.03Å; S292-E294 VanDerWaalsContact O-N 3.09Å; E294-T297 WeakPolarHBondContact O-CB 3.44Å; E294-T297 PolarHBondContact O-N 3.33Å; E294-D298 PolarHBondContact O-N 2.52Å; E294-R653 IonicContact OE1-NH1 2.8Å; E294-R653 PolarHBondContact OE1-NH1 3.12Å |
| 295 | R | 57.4 | Low | 57.4 | Low | 127 Ų | 127 | 61 Ų | 61 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.2 | -36.8 | -178.8 | -67.4 | -71.7 | -169.6 | 167.1 | 1.8 | 111.5 | L291 S292 T297 D298 L299 | L291-R295 HydrophobicContact CD2-CB 3.57Å; L291-R295 HydrophobicContact CG-CB 4.16Å; S292-R295 PolarHBondContact O-N 3.48Å; S292-R295 VanDerWaalsContact OG-CG 3.24Å; S292-R295 WeakPolarHBondContact OG-CG 3.1Å; R295-T297 VanDerWaalsContact C-N 3.28Å; R295-D298 PolarHBondContact O-N 2.88Å; R295-L299 PolarHBondContact O-N 2.88Å |
| 296 | L | 64.2 | Low | 57.1 | Low | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 173.5 | 179.4 | 65.1 | 0 | 0 | 0 | 109.9 | M284 R285 L291 S292 D298 L299 V300 | M284-L296 HydrophobicContact CB-CD1 3.63Å; R285-L296 HydrophobicContact CB-CD2 4.09Å; R285-L296 VanDerWaalsContact CD-CD2 3.48Å; R285-L296 HydrophobicContact CG-CD2 4.39Å; L291-L296 HydrophobicContact CB-CB 4.26Å; S292-L296 PolarHBondContact O-N 2.68Å; L296-D298 VanDerWaalsContact C-N 3.34Å; L296-D298 PolarHBondContact O-N 2.99Å; L296-L299 PolarHBondContact O-N 3.42Å; L296-V300 HydrophobicContact CD1-CG2 4.32Å; L296-V300 HydrophobicContact CG-CG2 4.43Å; L296-V300 WeakPolarHBondContact O-CB 3.31Å; L296-V300 VanDerWaalsContact O-CG2 3.25Å; L296-V300 WeakPolarHBondContact O-CG2 3.25Å; L296-V300 PolarHBondContact O-N 2.96Å |
| 297 | T | 53.6 | Low | 56.7 | Low | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 112 | D293 E294 R295 V300 T301 P650 R653 | D293-T297 VanDerWaalsContact O-CB 3.29Å; D293-T297 WeakPolarHBondContact O-CB 3.4Å; D293-T297 PolarHBondContact O-N 2.96Å; D293-T297 PolarHBondContact O-OG1 2.84Å; E294-T297 WeakPolarHBondContact O-CB 3.44Å; E294-T297 PolarHBondContact O-N 3.33Å; R295-T297 VanDerWaalsContact C-N 3.28Å; T297-V300 PolarHBondContact O-N 2.9Å; T297-T301 WeakPolarHBondContact O-CB 3.36Å; T297-T301 PolarHBondContact O-N 3.17Å; T297-T301 PolarHBondContact O-OG1 3.19Å; T297-P650 HydrophobicContact CG2-CB 4.17Å; T297-R653 HydrophobicContact CG2-CB 3.58Å; T297-R653 HydrophobicContact CG2-CG 4.26Å |
| 298 | D | 59.4 | Low | 56.6 | Low | 62 Ų | 62 | 56.3 Ų | 56.3 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.2 | -77.7 | -18.7 | 0 | 0 | 0 | 112.2 | E294 R295 L296 T301 D302 R653 | E294-D298 PolarHBondContact O-N 2.52Å; R295-D298 PolarHBondContact O-N 2.88Å; L296-D298 VanDerWaalsContact C-N 3.34Å; L296-D298 PolarHBondContact O-N 2.99Å; D298-T301 PolarHBondContact O-N 3.42Å; D298-D302 WeakPolarHBondContact O-CB 3.11Å; D298-D302 PolarHBondContact O-N 2.84Å; D298-R653 IonicContact OD1-CZ 2.69Å; D298-R653 IonicContact OD1-NE 3.97Å; D298-R653 IonicContact OD1-NH2 3.71Å; D298-R653 PolarHBondContact OD1-NH2 2.85Å; D298-R653 IonicContact OD2-NH2 3.69Å |
| 299 | L | 63.2 | Low | 56.3 | Low | 36 Ų | 36 | 58.9 Ų | 58.9 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.8 | -72.1 | -174.6 | 0 | 0 | 0 | 112.4 | M284 Y288 L291 R295 L296 T301 D302 Q303 I341 | M284-L299 HydrophobicContact CE-CB 3.63Å; M284-L299 HydrophobicContact CE-CD1 4Å; M284-L299 HydrophobicContact CE-CG 4.42Å; Y288-L299 HydrophobicContact CD2-CD1 4.44Å; L291-L299 HydrophobicContact CD1-CD1 4.45Å; L291-L299 HydrophobicContact CD2-CD1 3.44Å; L291-L299 VanDerWaalsContact CD2-CD1 3.44Å; L291-L299 HydrophobicContact CD2-CG 4.08Å; R295-L299 PolarHBondContact O-N 2.88Å; L296-L299 PolarHBondContact O-N 3.42Å; L299-T301 VanDerWaalsContact C-N 3.3Å; L299-T301 PolarHBondContact O-N 2.88Å; L299-D302 PolarHBondContact O-N 2.85Å; L299-Q303 VanDerWaalsContact O-CB 3.31Å; L299-Q303 WeakPolarHBondContact O-CB 3.13Å; L299-Q303 PolarHBondContact O-N 3.44Å; L299-I341 HydrophobicContact CD2-CD1 4.05Å |
| 300 | V | 62.4 | Low | 57 | Low | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.1 | 167.1 | 0 | 0 | 0 | 0 | 109.8 | L280 V281 M284 L296 T297 Q303 I304 | L280-V300 HydrophobicContact CD2-CG1 4.2Å; L280-V300 HydrophobicContact CG-CG1 4.5Å; V281-V300 HydrophobicContact CG2-CB 4.41Å; V281-V300 HydrophobicContact CG2-CG1 3.76Å; V281-V300 HydrophobicContact CG2-CG2 3.97Å; M284-V300 HydrophobicContact CB-CG2 4Å; M284-V300 HydrophobicContact CG-CG2 4.01Å; L296-V300 HydrophobicContact CD1-CG2 4.32Å; L296-V300 HydrophobicContact CG-CG2 4.43Å; L296-V300 WeakPolarHBondContact O-CB 3.31Å; L296-V300 VanDerWaalsContact O-CG2 3.25Å; L296-V300 WeakPolarHBondContact O-CG2 3.25Å; L296-V300 PolarHBondContact O-N 2.96Å; T297-V300 PolarHBondContact O-N 2.9Å; V300-Q303 PolarHBondContact O-N 2.92Å; V300-I304 HydrophobicContact CG1-CD1 3.56Å; V300-I304 HydrophobicContact CG1-CG1 4.42Å; V300-I304 VanDerWaalsContact O-CB 3.27Å; V300-I304 WeakPolarHBondContact O-CB 3.48Å; V300-I304 WeakPolarHBondContact O-CD1 3.47Å; V300-I304 WeakPolarHBondContact O-CG1 3.2Å; V300-I304 PolarHBondContact O-N 3.06Å |
| 301 | T | 53.1 | Low | 57.5 | Low | 22 Ų | 22 | 57.7 Ų | 57.7 | 14% | 0.135 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | T297 D298 L299 I304 T305 L654 A657 | T297-T301 WeakPolarHBondContact O-CB 3.36Å; T297-T301 PolarHBondContact O-N 3.17Å; T297-T301 PolarHBondContact O-OG1 3.19Å; D298-T301 PolarHBondContact O-N 3.42Å; L299-T301 VanDerWaalsContact C-N 3.3Å; L299-T301 PolarHBondContact O-N 2.88Å; T301-I304 PolarHBondContact O-N 3.36Å; T301-T305 HydrophobicContact CG2-CG2 4.45Å; T301-T305 WeakPolarHBondContact O-CB 3.35Å; T301-T305 VanDerWaalsContact O-CG2 3.28Å; T301-T305 WeakPolarHBondContact O-CG2 3.41Å; T301-T305 PolarHBondContact O-N 3.35Å; T301-T305 PolarHBondContact O-OG1 2.86Å; T301-L654 HydrophobicContact CG2-CD1 4.12Å; T301-A657 HydrophobicContact CG2-CB 3.57Å |
| 302 | D | 58.7 | Low | 57.9 | Low | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.6 | -175.9 | 59.2 | 0 | 0 | 0 | 111.6 | D298 L299 I304 T305 K306 | D298-D302 WeakPolarHBondContact O-CB 3.11Å; D298-D302 PolarHBondContact O-N 2.84Å; L299-D302 PolarHBondContact O-N 2.85Å; D302-I304 VanDerWaalsContact C-N 3.34Å; D302-I304 PolarHBondContact O-N 3.43Å; D302-T305 WeakPolarHBondContact CA-OG1 3.27Å; D302-T305 PolarHBondContact O-N 2.93Å; D302-T305 PolarHBondContact O-OG1 3.36Å; D302-K306 WeakPolarHBondContact O-CB 3.31Å; D302-K306 VanDerWaalsContact O-CG 3.24Å; D302-K306 WeakPolarHBondContact O-CG 3.36Å; D302-K306 PolarHBondContact O-N 3.45Å; D302-K306 IonicContact OD1-NZ 2.68Å; D302-K306 WeakPolarHBondContact OD2-CE 3.38Å; D302-K306 IonicContact OD2-NZ 2.79Å; D302-K306 PolarHBondContact OD2-NZ 3.33Å |
| 303 | Q | 61.1 | Low | 58.3 | Low | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.4 | -172.2 | 61.1 | 27.4 | 0 | 0 | 111.6 | L280 L299 V300 K306 D307 | L280-Q303 HydrophobicContact CD1-CG 4.1Å; L280-Q303 HydrophobicContact CD2-CB 4.16Å; L280-Q303 HydrophobicContact CD2-CG 4.06Å; L299-Q303 VanDerWaalsContact O-CB 3.31Å; L299-Q303 WeakPolarHBondContact O-CB 3.13Å; L299-Q303 PolarHBondContact O-N 3.44Å; V300-Q303 PolarHBondContact O-N 2.92Å; Q303-K306 PolarHBondContact O-N 3.39Å; Q303-D307 PolarHBondContact NE2-OD1 2.89Å; Q303-D307 WeakPolarHBondContact O-CB 3.17Å; Q303-D307 PolarHBondContact O-N 3.48Å |
| 304 | I | 57.9 | Low | 58.9 | Low | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 177.2 | -74.7 | 169.2 | 0 | 0 | 0 | 111.9 | V277 L280 V300 T301 D302 K306 D307 Q308 L654 | V277-I304 HydrophobicContact CB-CD1 4.5Å; V277-I304 HydrophobicContact CG1-CD1 4.39Å; V277-I304 HydrophobicContact CG2-CD1 3.78Å; L280-I304 HydrophobicContact CD2-CD1 3.93Å; L280-I304 HydrophobicContact CD2-CG1 3.43Å; L280-I304 VanDerWaalsContact CD2-CG1 3.43Å; V300-I304 HydrophobicContact CG1-CD1 3.56Å; V300-I304 HydrophobicContact CG1-CG1 4.42Å; V300-I304 VanDerWaalsContact O-CB 3.27Å; V300-I304 WeakPolarHBondContact O-CB 3.48Å; V300-I304 WeakPolarHBondContact O-CD1 3.47Å; V300-I304 WeakPolarHBondContact O-CG1 3.2Å; V300-I304 PolarHBondContact O-N 3.06Å; T301-I304 PolarHBondContact O-N 3.36Å; D302-I304 VanDerWaalsContact C-N 3.34Å; D302-I304 PolarHBondContact O-N 3.43Å; I304-K306 PolarHBondContact O-N 2.77Å; I304-D307 PolarHBondContact O-N 3.32Å; I304-Q308 HydrophobicContact CG2-CG 4.41Å; I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.47Å; I304-L654 HydrophobicContact CB-CD1 4.06Å; I304-L654 HydrophobicContact CD1-CD1 3.55Å; I304-L654 HydrophobicContact CD1-CD2 3.5Å; I304-L654 VanDerWaalsContact CD1-CD2 3.5Å; I304-L654 HydrophobicContact CD1-CG 4.16Å; I304-L654 HydrophobicContact CG1-CD1 4.41Å; I304-L654 HydrophobicContact CG2-CD1 3.93Å |
| 305 | T | 53 | Low | 59.7 | Low | 43 Ų | 43 | 48.7 Ų | 48.7 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.4 | -24.5 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | T301 D302 | T301-T305 HydrophobicContact CG2-CG2 4.45Å; T301-T305 WeakPolarHBondContact O-CB 3.35Å; T301-T305 VanDerWaalsContact O-CG2 3.28Å; T301-T305 WeakPolarHBondContact O-CG2 3.41Å; T301-T305 PolarHBondContact O-N 3.35Å; T301-T305 PolarHBondContact O-OG1 2.86Å; D302-T305 WeakPolarHBondContact CA-OG1 3.27Å; D302-T305 PolarHBondContact O-N 2.93Å; D302-T305 PolarHBondContact O-OG1 3.36Å |
| 306 | K | 56 | Low | 60.3 | Low | 123 Ų | 123 | 42.9 Ų | 42.9 | 54% | 0.535 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -74.8 | -39.5 | 168.7 | -76.4 | 169.8 | 174.4 | 168.6 | 0 | 112.6 | D302 Q303 I304 | D302-K306 WeakPolarHBondContact O-CB 3.31Å; D302-K306 VanDerWaalsContact O-CG 3.24Å; D302-K306 WeakPolarHBondContact O-CG 3.36Å; D302-K306 PolarHBondContact O-N 3.45Å; D302-K306 IonicContact OD1-NZ 2.68Å; D302-K306 WeakPolarHBondContact OD2-CE 3.38Å; D302-K306 IonicContact OD2-NZ 2.79Å; D302-K306 PolarHBondContact OD2-NZ 3.33Å; Q303-K306 PolarHBondContact O-N 3.39Å; I304-K306 PolarHBondContact O-N 2.77Å |
| 307 | D | 50.8 | Low | 60.6 | Low | 83 Ų | 83 | 42.6 Ų | 42.6 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75.6 | -23.7 | 179.7 | -96.9 | 24.7 | 0 | 0 | 0 | 113.5 | K276 Q303 I304 G309 | K276-D307 IonicContact NZ-OD2 3.56Å; K276-D307 PolarHBondContact NZ-OD2 2.7Å; K276-D307 VanDerWaalsContact NZ-OD2 3.16Å; Q303-D307 PolarHBondContact NE2-OD1 2.89Å; Q303-D307 WeakPolarHBondContact O-CB 3.17Å; Q303-D307 PolarHBondContact O-N 3.48Å; I304-D307 PolarHBondContact O-N 3.32Å; D307-G309 PolarHBondContact O-N 3.08Å |
| 308 | Q | 51.5 | Low | 61.5 | Low | 77 Ų | 77 | 44.1 Ų | 44.1 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -70.6 | 119.4 | 175.9 | -80.5 | -177 | -63.6 | 0 | 0 | 109.9 | I304 R310 R658 | I304-Q308 HydrophobicContact CG2-CG 4.41Å; I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.47Å; Q308-R310 PolarHBondContact O-N 3.21Å; Q308-R658 VanDerWaalsContact CD-NE 3.26Å |
| 309 | G | 52.8 | Low | 62.2 | Low | 68 Ų | 68 | 41.3 Ų | 41.3 | 70% | 0.701 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -54.1 | 130.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | D307 | D307-G309 PolarHBondContact O-N 3.08Š|
| 310 | R | 65.2 | Low | 62.7 | Low | 67 Ų | 67 | 39.7 Ų | 39.7 | 25% | 0.253 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -86.9 | 118.5 | 176.7 | -66.1 | 174.1 | -175.5 | 171.1 | 8.8 | 108.1 | Q308 W314 Y315 N776 | Q308-R310 PolarHBondContact O-N 3.21Å; R310-W314 HydrophobicContact CB-CD2 4.31Å; R310-W314 HydrophobicContact CB-CE3 4.15Å; R310-W314 HydrophobicContact CG-CD2 4.07Å; R310-W314 HydrophobicContact CG-CE3 4.1Å; R310-W314 HydrophobicContact CG-CG 4.49Å; R310-Y315 HydrophobicContact CB-CE2 3.67Å; R310-Y315 WeakPolarHBondContact CD-OH 3.41Å; R310-N776 PolarHBondContact O-ND2 2.85Å |
| 311 | D | 61.2 | Low | 63.4 | Low | 80 Ų | 80 | 41.5 Ų | 41.5 | 43% | 0.428 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -82.7 | 163.6 | 176.1 | -67.2 | -19.1 | 0 | 0 | 0 | 110.3 | M101 L313 W314 Y315 | M101-D311 HydrophobicContact CE-CB 4.47Å; D311-L313 PolarHBondContact O-N 2.9Å; D311-L313 VanDerWaalsContact O-N 3.1Å; D311-W314 WeakPolarHBondContact O-CB 3.44Å; D311-W314 PolarHBondContact O-N 2.7Å; D311-Y315 WeakPolarHBondContact O-CD2 3.38Å |
| 312 | R | 64.3 | Low | 64.4 | Low | 25 Ų | 25 | 42.1 Ų | 42.1 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.4 | -36.8 | -178.8 | -71.2 | 168 | 179.4 | -162.8 | 3.7 | 113.5 | N97 Y315 R316 D775 N776 G779 N780 | N97-R312 WeakPolarHBondContact OD1-CD 3.29Å; R312-Y315 PolarHBondContact O-N 3.04Å; R312-R316 PolarHBondContact O-N 2.86Å; R312-D775 PolarHBondContact NH2-O 3.48Å; R312-N776 HydrophobicContact CG-CB 3.9Å; R312-N776 WeakPolarHBondContact CG-OD1 3.2Å; R312-G779 VanDerWaalsContact CZ-C 3.49Å; R312-G779 PolarHBondContact NH1-O 2.66Å; R312-G779 VanDerWaalsContact NH2-CA 3.33Å; R312-N780 WeakPolarHBondContact CB-OD1 3.45Å; R312-N780 WeakPolarHBondContact CD-OD1 3.24Å; R312-N780 WeakPolarHBondContact CG-OD1 3.43Å |
| 313 | L | 66.1 | Low | 65.2 | Low | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 179.7 | -172.7 | 60.6 | 0 | 0 | 0 | 112.9 | M55 I58 E59 M101 D311 Y315 R316 I317 | M55-L313 HydrophobicContact CB-CD1 3.58Å; M55-L313 HydrophobicContact CG-CD1 3.88Å; M55-L313 HydrophobicContact SD-CD1 3.18Å; M55-L313 WeakPolarHBondContact SD-CD1 3.2Å; I58-L313 HydrophobicContact CB-CD2 4.44Å; I58-L313 HydrophobicContact CG2-CD2 4.09Å; E59-L313 HydrophobicContact CB-CD2 3.34Å; E59-L313 HydrophobicContact CB-CG 4.24Å; E59-L313 HydrophobicContact CG-CD2 3.86Å; M101-L313 HydrophobicContact CE-CB 3.63Å; M101-L313 HydrophobicContact CE-CD2 3.72Å; M101-L313 HydrophobicContact CE-CG 4.35Å; M101-L313 HydrophobicContact CG-CB 4.23Å; M101-L313 HydrophobicContact CG-CD1 4.47Å; M101-L313 HydrophobicContact CG-CD2 4.2Å; M101-L313 HydrophobicContact SD-CB 3.85Å; M101-L313 HydrophobicContact SD-CD2 4.49Å; D311-L313 PolarHBondContact O-N 2.9Å; D311-L313 VanDerWaalsContact O-N 3.1Å; L313-Y315 VanDerWaalsContact C-N 3.25Å; L313-Y315 PolarHBondContact O-N 3.16Å; L313-R316 WeakPolarHBondContact O-CB 3.29Å; L313-R316 PolarHBondContact O-N 3.38Å; L313-R316 VanDerWaalsContact O-N 3.09Å; L313-I317 HydrophobicContact CD1-CD1 4.38Å; L313-I317 HydrophobicContact CG-CD1 3.94Å; L313-I317 WeakPolarHBondContact O-CG1 3.5Å; L313-I317 PolarHBondContact O-N 3.39Å |
| 314 | W | 70.3 | Confident | 66 | Low | 64 Ų | 64 | 39.5 Ų | 39.5 | 24% | 0.242 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 176.6 | -176.5 | 93.1 | 0 | 0 | 0 | 110.7 | R310 D311 R316 I317 M318 | R310-W314 HydrophobicContact CB-CD2 4.31Å; R310-W314 HydrophobicContact CB-CE3 4.15Å; R310-W314 HydrophobicContact CG-CD2 4.07Å; R310-W314 HydrophobicContact CG-CE3 4.1Å; R310-W314 HydrophobicContact CG-CG 4.49Å; D311-W314 WeakPolarHBondContact O-CB 3.44Å; D311-W314 PolarHBondContact O-N 2.7Å; W314-R316 VanDerWaalsContact C-N 3.33Å; W314-R316 PolarHBondContact O-N 2.71Å; W314-I317 PolarHBondContact O-N 3.11Å; W314-M318 HydrophobicContact CD2-CG 3.81Å; W314-M318 HydrophobicContact CE3-CB 4.47Å; W314-M318 HydrophobicContact CE3-CG 3.98Å; W314-M318 HydrophobicContact CG-CG 4.46Å; W314-M318 HydrophobicContact CH2-CB 4.4Å; W314-M318 HydrophobicContact CH2-CG 3.83Å; W314-M318 HydrophobicContact CZ2-CE 4.5Å; W314-M318 HydrophobicContact CZ2-CG 3.66Å; W314-M318 HydrophobicContact CZ2-SD 4.3Å; W314-M318 HydrophobicContact CZ3-CB 4.28Å; W314-M318 HydrophobicContact CZ3-CG 3.97Å; W314-M318 WeakPolarHBondContact O-CB 3.24Å; W314-M318 WeakPolarHBondContact O-CG 3.36Å; W314-M318 PolarHBondContact O-N 3.01Å |
| 315 | Y | 70.6 | Confident | 66.7 | Low | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 176.9 | -71.6 | -66 | 0 | 0 | 0 | 112.8 | R310 D311 R312 L313 S319 L766 A767 Q770 D771 | R310-Y315 HydrophobicContact CB-CE2 3.67Å; R310-Y315 WeakPolarHBondContact CD-OH 3.41Å; D311-Y315 WeakPolarHBondContact O-CD2 3.38Å; R312-Y315 PolarHBondContact O-N 3.04Å; L313-Y315 VanDerWaalsContact C-N 3.25Å; L313-Y315 PolarHBondContact O-N 3.16Å; Y315-S319 WeakPolarHBondContact O-CB 3.41Å; Y315-S319 PolarHBondContact O-N 3.13Å; Y315-S319 PolarHBondContact O-OG 3.3Å; Y315-L766 HydrophobicContact CD1-CB 3.84Å; Y315-A767 HydrophobicContact CD1-CB 4.2Å; Y315-A767 HydrophobicContact CD2-CB 3.78Å; Y315-A767 HydrophobicContact CE2-CB 4.1Å; Y315-A767 HydrophobicContact CG-CB 3.84Å; Y315-Q770 HydrophobicContact CE1-CB 3.78Å; Y315-Q770 HydrophobicContact CE1-CG 4.3Å; Y315-D771 WeakPolarHBondContact CE2-OD1 3.37Å; Y315-D771 WeakPolarHBondContact CE2-OD2 3.2Å; Y315-D771 VanDerWaalsContact CZ-OD1 3.31Å; Y315-D771 PolarHBondContact OH-OD1 2.64Å |
| 316 | R | 71 | Confident | 67.3 | Low | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -51.6 | 175.8 | -73.3 | 174.4 | 160.8 | -179 | -1.5 | 111.5 | M55 M101 S105 R312 L313 W314 M318 S319 I320 D760 A763 | M55-R316 HydrophobicContact CE-CB 4.33Å; M55-R316 HydrophobicContact CE-CG 4.46Å; M101-R316 PolarHBondContact O-NH1 3.07Å; S105-R316 VanDerWaalsContact CB-NH1 3.25Å; S105-R316 PolarHBondContact OG-NH1 2.99Å; S105-R316 PolarHBondContact OG-NH2 2.95Å; R312-R316 PolarHBondContact O-N 2.86Å; L313-R316 WeakPolarHBondContact O-CB 3.29Å; L313-R316 PolarHBondContact O-N 3.38Å; L313-R316 VanDerWaalsContact O-N 3.09Å; W314-R316 VanDerWaalsContact C-N 3.33Å; W314-R316 PolarHBondContact O-N 2.71Å; R316-M318 PolarHBondContact O-N 3.3Å; R316-S319 WeakPolarHBondContact O-CB 3.46Å; R316-S319 PolarHBondContact O-N 3.41Å; R316-S319 VanDerWaalsContact O-N 3.16Å; R316-S319 PolarHBondContact O-OG 3.35Å; R316-I320 WeakPolarHBondContact O-CG1 3.34Å; R316-I320 PolarHBondContact O-N 3.03Å; R316-I320 VanDerWaalsContact O-N 3.1Å; R316-D760 IonicContact CZ-OD1 3.52Å; R316-D760 IonicContact NE-OD1 2.86Å; R316-D760 PolarHBondContact NE-OD1 3.31Å; R316-D760 IonicContact NH2-OD1 2.6Å; R316-D760 PolarHBondContact NH2-OD1 3.5Å; R316-D760 IonicContact NH2-OD2 3.91Å; R316-D760 PolarHBondContact NH2-OD2 2.87Å; R316-A763 HydrophobicContact CB-CB 4.08Å; R316-A763 HydrophobicContact CG-CB 3.3Å |
| 317 | I | 70.4 | Confident | 67.7 | Low | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.8 | -50.6 | 177.5 | -70.1 | 168.8 | 0 | 0 | 0 | 110.7 | D52 M55 E59 L313 W314 S319 I320 R321 | D52-I317 VanDerWaalsContact OD1-CA 3.24Å; D52-I317 WeakPolarHBondContact OD1-CA 3.33Å; D52-I317 VanDerWaalsContact OD1-CG2 3.29Å; D52-I317 WeakPolarHBondContact OD1-CG2 3.46Å; M55-I317 HydrophobicContact CB-CD1 4.2Å; M55-I317 HydrophobicContact CB-CG1 3.71Å; E59-I317 HydrophobicContact CB-CD1 4.4Å; E59-I317 WeakPolarHBondContact OE2-CD1 3.44Å; L313-I317 HydrophobicContact CD1-CD1 4.38Å; L313-I317 HydrophobicContact CG-CD1 3.94Å; L313-I317 WeakPolarHBondContact O-CG1 3.5Å; L313-I317 PolarHBondContact O-N 3.39Å; W314-I317 PolarHBondContact O-N 3.11Å; I317-S319 VanDerWaalsContact C-N 3.29Å; I317-S319 PolarHBondContact O-N 3.11Å; I317-I320 PolarHBondContact O-N 3.41Å; I317-R321 WeakPolarHBondContact O-CB 3.28Å; I317-R321 VanDerWaalsContact O-CG 3.3Å; I317-R321 WeakPolarHBondContact O-CG 3.4Å; I317-R321 PolarHBondContact O-N 3.3Å |
| 318 | M | 73.2 | Confident | 68.1 | Low | 34 Ų | 34 | 39 Ų | 39 | 17% | 0.167 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -30.5 | -179.2 | -65.1 | -62.3 | 150.2 | 0 | 0 | 112.9 | W314 R316 G322 L327 L766 | W314-M318 HydrophobicContact CD2-CG 3.81Å; W314-M318 HydrophobicContact CE3-CB 4.47Å; W314-M318 HydrophobicContact CE3-CG 3.98Å; W314-M318 HydrophobicContact CG-CG 4.46Å; W314-M318 HydrophobicContact CH2-CB 4.4Å; W314-M318 HydrophobicContact CH2-CG 3.83Å; W314-M318 HydrophobicContact CZ2-CE 4.5Å; W314-M318 HydrophobicContact CZ2-CG 3.66Å; W314-M318 HydrophobicContact CZ2-SD 4.3Å; W314-M318 HydrophobicContact CZ3-CB 4.28Å; W314-M318 HydrophobicContact CZ3-CG 3.97Å; W314-M318 WeakPolarHBondContact O-CB 3.24Å; W314-M318 WeakPolarHBondContact O-CG 3.36Å; W314-M318 PolarHBondContact O-N 3.01Å; R316-M318 PolarHBondContact O-N 3.3Å; M318-G322 PolarHBondContact O-N 3.08Å; M318-L327 HydrophobicContact CB-CD1 4.44Å; M318-L327 HydrophobicContact CG-CD1 4.49Å; M318-L327 HydrophobicContact SD-CD1 3.33Å; M318-L327 WeakPolarHBondContact SD-CD1 3.45Å; M318-L766 HydrophobicContact CB-CD1 4.47Å |
| 319 | S | 73.7 | Confident | 68.2 | Low | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 175.5 | 76.3 | 0 | 0 | 0 | 0 | 112.1 | Y315 R316 I317 G322 M323 P759 A763 | Y315-S319 WeakPolarHBondContact O-CB 3.41Å; Y315-S319 PolarHBondContact O-N 3.13Å; Y315-S319 PolarHBondContact O-OG 3.3Å; R316-S319 WeakPolarHBondContact O-CB 3.46Å; R316-S319 PolarHBondContact O-N 3.41Å; R316-S319 VanDerWaalsContact O-N 3.16Å; R316-S319 PolarHBondContact O-OG 3.35Å; I317-S319 VanDerWaalsContact C-N 3.29Å; I317-S319 PolarHBondContact O-N 3.11Å; S319-G322 PolarHBondContact O-N 3.17Å; S319-M323 WeakPolarHBondContact O-CG 3.27Å; S319-M323 PolarHBondContact O-N 3.21Å; S319-P759 PolarHBondContact OG-O 3.05Å; S319-A763 PolarHBondContact OG-N 2.79Å |
| 320 | I | 73.2 | Confident | 67.9 | Low | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -42.9 | 179.4 | -62.4 | 160.9 | 0 | 0 | 0 | 110.1 | A48 A51 D52 R316 I317 G322 M323 T324 P759 | A48-I320 HydrophobicContact CB-CG2 4.26Å; A48-I320 VanDerWaalsContact O-CG2 3.26Å; A48-I320 WeakPolarHBondContact O-CG2 3.24Å; A51-I320 HydrophobicContact CB-CD1 4.29Å; D52-I320 HydrophobicContact CB-CB 4.08Å; D52-I320 HydrophobicContact CB-CD1 4.03Å; D52-I320 HydrophobicContact CB-CG2 3.72Å; R316-I320 WeakPolarHBondContact O-CG1 3.34Å; R316-I320 PolarHBondContact O-N 3.03Å; R316-I320 VanDerWaalsContact O-N 3.1Å; I317-I320 PolarHBondContact O-N 3.41Å; I320-G322 VanDerWaalsContact C-N 3.25Å; I320-G322 PolarHBondContact O-N 2.95Å; I320-M323 PolarHBondContact O-N 3.36Å; I320-T324 HydrophobicContact CG2-CG2 4.4Å; I320-T324 WeakPolarHBondContact O-CB 3.39Å; I320-T324 WeakPolarHBondContact O-CG2 3.37Å; I320-T324 PolarHBondContact O-N 3.04Å; I320-T324 VanDerWaalsContact O-N 3.09Å; I320-T324 PolarHBondContact O-OG1 3.33Å; I320-P759 HydrophobicContact CD1-CB 4.29Å; I320-P759 HydrophobicContact CG1-CB 4.08Å |
| 321 | R | 77.8 | Confident | 66.5 | Low | 39 Ų | 39 | 46.7 Ų | 46.7 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -35.6 | 174.6 | -69.9 | 177.3 | -179 | -167.7 | -0.6 | 112 | D52 C56 I317 T324 S325 A326 L327 D660 | D52-R321 IonicContact OD1-NE 2.78Å; D52-R321 IonicContact OD2-NE 3.08Å; D52-R321 PolarHBondContact OD2-NE 2.81Å; C56-R321 PolarHBondContact SG-NH2 2.81Å; C56-R321 VanDerWaalsContact SG-NH2 3.43Å; I317-R321 WeakPolarHBondContact O-CB 3.28Å; I317-R321 VanDerWaalsContact O-CG 3.3Å; I317-R321 WeakPolarHBondContact O-CG 3.4Å; I317-R321 PolarHBondContact O-N 3.3Å; R321-T324 PolarHBondContact O-OG1 3.25Å; R321-S325 PolarHBondContact O-N 2.66Å; R321-A326 HydrophobicContact CB-CB 4.24Å; R321-A326 HydrophobicContact CG-CB 4.37Å; R321-A326 CarbonylContact O-C 3.47Å; R321-A326 PolarHBondContact O-N 3.49Å; R321-L327 HydrophobicContact CB-CB 4.19Å; R321-L327 HydrophobicContact CB-CD1 4.32Å; R321-L327 PolarHBondContact O-N 3.25Å; R321-D660 IonicContact CZ-OD2 3.51Å; R321-D660 VanDerWaalsContact CZ-OD2 3.25Å; R321-D660 IonicContact NH1-OD2 3.89Å; R321-D660 PolarHBondContact NH1-OD2 3.24Å; R321-D660 IonicContact NH2-OD2 3.44Å; R321-D660 PolarHBondContact NH2-OD2 3.45Å |
| 322 | G | 73.9 | Confident | 65.1 | Low | 36 Ų | 36 | 50.4 Ų | 50.4 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M318 S319 I320 T324 S325 | M318-G322 PolarHBondContact O-N 3.08Å; S319-G322 PolarHBondContact O-N 3.17Å; I320-G322 VanDerWaalsContact C-N 3.25Å; I320-G322 PolarHBondContact O-N 2.95Å; G322-T324 PolarHBondContact O-N 2.91Å; G322-S325 PolarHBondContact O-N 2.86Å |
| 323 | M | 75.2 | Confident | 63.6 | Low | 59 Ų | 59 | 52 Ų | 52 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -26.2 | 179.2 | -70.9 | 169.5 | 64.3 | 0 | 0 | 113.5 | S319 I320 L758 F762 | S319-M323 WeakPolarHBondContact O-CG 3.27Å; S319-M323 PolarHBondContact O-N 3.21Å; I320-M323 PolarHBondContact O-N 3.36Å; M323-L758 HydrophobicContact CE-CB 4.36Å; M323-F762 HydrophobicContact CE-CD2 3.93Å; M323-F762 HydrophobicContact CE-CE2 3.82Å; M323-F762 HydrophobicContact CG-CD1 4.43Å; M323-F762 HydrophobicContact CG-CD2 3.81Å; M323-F762 HydrophobicContact CG-CE2 3.97Å; M323-F762 HydrophobicContact CG-CG 4.06Å; M323-F762 HydrophobicContact CG-CZ 4.34Å; M323-F762 HydrophobicContact SD-CB 4.18Å; M323-F762 HydrophobicContact SD-CD2 3.2Å; M323-F762 WeakPolarHBondContact SD-CD2 3.47Å; M323-F762 HydrophobicContact SD-CE2 3.65Å; M323-F762 HydrophobicContact SD-CG 3.83Å |
| 324 | T | 78.2 | Confident | 62.2 | Low | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 8.3 | -173.6 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | I49 I320 R321 G322 A326 A693 K697 | I49-T324 HydrophobicContact CD1-CG2 3.7Å; I49-T324 HydrophobicContact CG1-CG2 3.38Å; I320-T324 HydrophobicContact CG2-CG2 4.4Å; I320-T324 WeakPolarHBondContact O-CB 3.39Å; I320-T324 WeakPolarHBondContact O-CG2 3.37Å; I320-T324 PolarHBondContact O-N 3.04Å; I320-T324 VanDerWaalsContact O-N 3.09Å; I320-T324 PolarHBondContact O-OG1 3.33Å; R321-T324 PolarHBondContact O-OG1 3.25Å; G322-T324 PolarHBondContact O-N 2.91Å; T324-A326 PolarHBondContact O-N 3.02Å; T324-A693 HydrophobicContact CG2-CB 4.42Å; T324-K697 WeakPolarHBondContact O-CE 3.12Å; T324-K697 PolarHBondContact O-NZ 3.35Å |
| 325 | S | 71.6 | Confident | 60.8 | Low | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 28.9 | -175.4 | -49 | 0 | 0 | 0 | 0 | 114 | R321 G322 N675 D686 A689 | R321-S325 PolarHBondContact O-N 2.66Å; G322-S325 PolarHBondContact O-N 2.86Å; S325-N675 PolarHBondContact O-N 3.35Å; S325-D686 WeakPolarHBondContact CB-O 3.36Å; S325-D686 WeakPolarHBondContact OG-CA 3.28Å; S325-D686 PolarHBondContact OG-O 3.44Å; S325-A689 WeakPolarHBondContact OG-CB 3.34Å |
| 326 | A | 66.7 | Low | 59.5 | Low | 36 Ų | 36 | 66.6 Ų | 66.6 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | trans | -94 | -11.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R321 T324 | R321-A326 HydrophobicContact CB-CB 4.24Å; R321-A326 HydrophobicContact CG-CB 4.37Å; R321-A326 CarbonylContact O-C 3.47Å; R321-A326 PolarHBondContact O-N 3.49Å; T324-A326 PolarHBondContact O-N 3.02Å | ||
| 327 | L | 64.7 | Low | 58.1 | Low | 63 Ų | 63 | 67.5 Ų | 67.5 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -75.2 | 124.5 | 175.2 | -166.8 | 72.7 | 0 | 0 | 0 | 110.2 | M318 R321 K329 N675 | M318-L327 HydrophobicContact CB-CD1 4.44Å; M318-L327 HydrophobicContact CG-CD1 4.49Å; M318-L327 HydrophobicContact SD-CD1 3.33Å; M318-L327 WeakPolarHBondContact SD-CD1 3.45Å; R321-L327 HydrophobicContact CB-CB 4.19Å; R321-L327 HydrophobicContact CB-CD1 4.32Å; R321-L327 PolarHBondContact O-N 3.25Å; L327-K329 PolarHBondContact O-N 3.3Å; L327-N675 CarbonylContact O-C 3.6Å |
| 328 | R | 58.9 | Low | 56.9 | Low | 143 Ų | 143 | 72.9 Ų | 72.9 | 54% | 0.54 | 35% | 0.35 | S | S | . | . | trans | -70.2 | 112.6 | 164.8 | -172.2 | 176 | 177.4 | 175.2 | 6 | 107.7 | K330 E678 | R328-K330 PolarHBondContact O-N 2.81Å; R328-K330 VanDerWaalsContact O-N 3.15Å; R328-E678 HydrophobicContact CG-CG 4.31Å; R328-E678 IonicContact CZ-OE1 2.77Å; R328-E678 IonicContact NE-OE1 3.84Å; R328-E678 PolarHBondContact NE-OE1 3.29Å; R328-E678 IonicContact NH2-OE1 2.96Å; R328-E678 PolarHBondContact NH2-OE1 2.91Å | ||
| 329 | K | 52.6 | Low | 55.9 | Low | 77 Ų | 77 | 76.5 Ų | 76.5 | 34% | 0.335 | 37% | 0.367 | S | S | . | . | trans | -55.1 | 125.2 | 168.7 | -79.4 | 174.4 | -175.8 | 156.9 | 0 | 106.5 | L327 R331 D686 | L327-K329 PolarHBondContact O-N 3.3Å; K329-R331 PolarHBondContact O-N 3.22Å; K329-D686 IonicContact NZ-OD1 3.01Å; K329-D686 IonicContact NZ-OD2 3.89Å; K329-D686 PolarHBondContact NZ-OD2 3.26Å | ||
| 330 | K | 47 | Very low | 54.7 | Low | 135 Ų | 135 | 80.2 Ų | 80.2 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | trans | -55.1 | 122.2 | 178.5 | -84.1 | -168 | 173.4 | -157.6 | 0 | 106.6 | R328 Q332 | R328-K330 PolarHBondContact O-N 2.81Å; R328-K330 VanDerWaalsContact O-N 3.15Å; K330-Q332 PolarHBondContact O-N 3.22Å | ||
| 331 | R | 35.3 | Very low | 53.8 | Low | 161 Ų | 161 | 82.2 Ų | 82.2 | 61% | 0.608 | 40% | 0.395 | S | S | * | . | trans | -38.9 | 114.9 | 154.3 | -107.1 | -177.2 | 175.1 | 178.8 | -0.3 | 105.5 | K329 | K329-R331 PolarHBondContact O-N 3.22Š| ||
| 332 | Q | 32.4 | Very low | 52.7 | Low | 158 Ų | 158 | 86 Ų | 86 | 74% | 0.738 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -47.2 | 130.7 | 151.6 | -82.6 | 174.5 | -12.3 | 0 | 0 | 104.3 | K330 | K330-Q332 PolarHBondContact O-N 3.22Š|
| 333 | P | 33.9 | Very low | 51.7 | Low | 59 Ų | 59 | 90.1 Ų | 90.1 | 38% | 0.383 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -46 | 122.9 | 171.7 | 21.5 | -30.8 | 0 | 0 | 0 | 104 | I335 A337 E338 | P333-I335 PolarHBondContact O-N 3.44Å; P333-I335 VanDerWaalsContact O-N 3.1Å; P333-A337 HydrophobicContact CB-CB 4.14Å; P333-E338 HydrophobicContact CB-CG 4.35Å; P333-E338 HydrophobicContact CG-CG 3.87Å; P333-E338 WeakPolarHBondContact CG-OE1 3.24Å |
| 334 | P | 35.3 | Very low | 50.5 | Low | 53 Ų | 53 | 88.6 Ų | 88.6 | 34% | 0.344 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -48.2 | 135.4 | -173.2 | 20.4 | -31.9 | 0 | 0 | 0 | 105.1 | R336 A337 | P334-R336 HydrophobicContact CB-CB 4.31Å; P334-R336 CarbonylContact O-C 3.48Å; P334-R336 WeakPolarHBondContact O-CA 3.44Å; P334-R336 PolarHBondContact O-N 3.11Å; P334-A337 HydrophobicContact CG-CB 4.17Å; P334-A337 PolarHBondContact O-N 3.38Å |
| 335 | I | 40.3 | Very low | 49.3 | Very low | 122 Ų | 122 | 91.5 Ų | 91.5 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -46 | -23.8 | -173.7 | -67.6 | 162.2 | 0 | 0 | 0 | 111.4 | P333 H339 | P333-I335 PolarHBondContact O-N 3.44Å; P333-I335 VanDerWaalsContact O-N 3.1Å; I335-H339 VanDerWaalsContact O-CB 3.24Å; I335-H339 WeakPolarHBondContact O-CB 3.19Å; I335-H339 PolarHBondContact O-CD2 2.92Å; I335-H339 PolarHBondContact O-N 3.25Å; I335-H339 VanDerWaalsContact O-N 3.14Å |
| 336 | R | 43.5 | Very low | 48.2 | Very low | 198 Ų | 198 | 94.3 Ų | 94.3 | 75% | 0.747 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -51.8 | -43.7 | 161.5 | -111.9 | 176.3 | -179.8 | 158.1 | -0.2 | 119.3 | P334 M340 | P334-R336 HydrophobicContact CB-CB 4.31Å; P334-R336 CarbonylContact O-C 3.48Å; P334-R336 WeakPolarHBondContact O-CA 3.44Å; P334-R336 PolarHBondContact O-N 3.11Å; R336-M340 WeakPolarHBondContact O-CA 3.25Å; R336-M340 WeakPolarHBondContact O-CB 3.34Å; R336-M340 WeakPolarHBondContact O-CG 3.05Å; R336-M340 PolarHBondContact O-N 3.19Å |
| 337 | A | 41.4 | Very low | 47.1 | Very low | 23 Ų | 23 | 96.8 Ų | 96.8 | 19% | 0.19 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -74.5 | -41.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P333 P334 M340 I341 | P333-A337 HydrophobicContact CB-CB 4.14Å; P334-A337 HydrophobicContact CG-CB 4.17Å; P334-A337 PolarHBondContact O-N 3.38Å; A337-M340 PolarHBondContact O-N 3.06Å; A337-I341 VanDerWaalsContact O-CB 3.31Å; A337-I341 WeakPolarHBondContact O-CB 3.17Å; A337-I341 WeakPolarHBondContact O-CD1 2.76Å; A337-I341 WeakPolarHBondContact O-CG1 3.21Å; A337-I341 PolarHBondContact O-N 3.23Å |
| 338 | E | 46.4 | Very low | 46.2 | Very low | 115 Ų | 115 | 97.3 Ų | 97.3 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 172.2 | -76.4 | -179.4 | 171.4 | 0 | 0 | 111.4 | P333 I341 Q342 | P333-E338 HydrophobicContact CB-CG 4.35Å; P333-E338 HydrophobicContact CG-CG 3.87Å; P333-E338 WeakPolarHBondContact CG-OE1 3.24Å; E338-I341 PolarHBondContact O-N 2.94Å; E338-Q342 WeakPolarHBondContact O-CB 3.49Å; E338-Q342 VanDerWaalsContact O-CG 3.32Å; E338-Q342 WeakPolarHBondContact O-CG 3.38Å; E338-Q342 PolarHBondContact O-N 3.15Å |
| 339 | H | 51.3 | Low | 45.6 | Very low | 111 Ų | 111 | 101 Ų | 101 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 172.9 | -81.2 | -126.1 | 0 | 0 | 0 | 112.5 | I335 Q342 Q343 | I335-H339 VanDerWaalsContact O-CB 3.24Å; I335-H339 WeakPolarHBondContact O-CB 3.19Å; I335-H339 PolarHBondContact O-CD2 2.92Å; I335-H339 PolarHBondContact O-N 3.25Å; I335-H339 VanDerWaalsContact O-N 3.14Å; H339-Q342 PolarHBondContact O-N 3.44Å; H339-Q343 WeakPolarHBondContact O-CB 3.32Å; H339-Q343 WeakPolarHBondContact O-CG 3.5Å; H339-Q343 PolarHBondContact O-N 3.29Å |
| 340 | M | 48.5 | Very low | 45.1 | Very low | 80 Ų | 80 | 98.1 Ų | 98.1 | 39% | 0.394 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 174.7 | -87.6 | 175.6 | 65.9 | 0 | 0 | 111.6 | R336 A337 Q342 Q343 M344 | R336-M340 WeakPolarHBondContact O-CA 3.25Å; R336-M340 WeakPolarHBondContact O-CB 3.34Å; R336-M340 WeakPolarHBondContact O-CG 3.05Å; R336-M340 PolarHBondContact O-N 3.19Å; A337-M340 PolarHBondContact O-N 3.06Å; M340-Q342 VanDerWaalsContact C-N 3.32Å; M340-Q343 PolarHBondContact O-N 3.4Å; M340-M344 HydrophobicContact CE-CE 3.6Å; M340-M344 WeakPolarHBondContact O-CB 3.48Å; M340-M344 WeakPolarHBondContact O-CG 3.07Å; M340-M344 PolarHBondContact O-N 3.48Å |
| 341 | I | 55.2 | Low | 44.9 | Very low | 44 Ų | 44 | 93 Ų | 93 | 23% | 0.226 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.3 | -71.5 | 162.8 | 0 | 0 | 0 | 109.2 | L299 A337 E338 M344 E345 | L299-I341 HydrophobicContact CD2-CD1 4.05Å; A337-I341 VanDerWaalsContact O-CB 3.31Å; A337-I341 WeakPolarHBondContact O-CB 3.17Å; A337-I341 WeakPolarHBondContact O-CD1 2.76Å; A337-I341 WeakPolarHBondContact O-CG1 3.21Å; A337-I341 PolarHBondContact O-N 3.23Å; E338-I341 PolarHBondContact O-N 2.94Å; I341-M344 PolarHBondContact O-N 2.88Å; I341-E345 HydrophobicContact CG2-CG 4.24Å; I341-E345 VanDerWaalsContact O-CB 3.25Å; I341-E345 WeakPolarHBondContact O-CB 3.45Å; I341-E345 VanDerWaalsContact O-CG 3.28Å; I341-E345 WeakPolarHBondContact O-CG 3.42Å; I341-E345 PolarHBondContact O-N 3.5Å |
| 342 | Q | 54.2 | Low | 45.2 | Very low | 120 Ų | 120 | 86.6 Ų | 86.6 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 173.5 | -77.2 | 177.9 | -3.4 | 0 | 0 | 111.9 | E338 H339 M340 E345 T346 | E338-Q342 WeakPolarHBondContact O-CB 3.49Å; E338-Q342 VanDerWaalsContact O-CG 3.32Å; E338-Q342 WeakPolarHBondContact O-CG 3.38Å; E338-Q342 PolarHBondContact O-N 3.15Å; H339-Q342 PolarHBondContact O-N 3.44Å; M340-Q342 VanDerWaalsContact C-N 3.32Å; Q342-E345 PolarHBondContact O-N 3.46Å; Q342-T346 PolarHBondContact O-N 3.48Å; Q342-T346 PolarHBondContact O-OG1 2.89Å |
| 343 | Q | 53 | Low | 45.5 | Very low | 121 Ų | 121 | 83.7 Ų | 83.7 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.2 | -45.9 | 174.7 | -84 | -179.8 | -27.6 | 0 | 0 | 111.9 | H339 M340 T346 M347 | H339-Q343 WeakPolarHBondContact O-CB 3.32Å; H339-Q343 WeakPolarHBondContact O-CG 3.5Å; H339-Q343 PolarHBondContact O-N 3.29Å; M340-Q343 PolarHBondContact O-N 3.4Å; Q343-T346 VanDerWaalsContact C-OG1 3.22Å; Q343-T346 VanDerWaalsContact CA-OG1 3.23Å; Q343-T346 WeakPolarHBondContact CA-OG1 3.48Å; Q343-T346 PolarHBondContact O-N 3.2Å; Q343-T346 PolarHBondContact O-OG1 2.7Å; Q343-M347 VanDerWaalsContact O-CG 3.25Å; Q343-M347 WeakPolarHBondContact O-CG 3.41Å; Q343-M347 PolarHBondContact O-N 3.27Å |
| 344 | M | 50.7 | Low | 45.8 | Very low | 28 Ų | 28 | 88.5 Ų | 88.5 | 14% | 0.138 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.4 | -34.5 | 179.9 | -73 | 175.9 | 172 | 0 | 0 | 112.2 | Y288 L291 M340 I341 M347 S348 | Y288-M344 HydrophobicContact CD1-CB 4.04Å; Y288-M344 HydrophobicContact CD1-SD 4.12Å; Y288-M344 HydrophobicContact CE1-CB 4.23Å; L291-M344 HydrophobicContact CD1-CE 3.92Å; L291-M344 HydrophobicContact CD1-SD 3.59Å; L291-M344 VanDerWaalsContact CD1-SD 3.59Å; M340-M344 HydrophobicContact CE-CE 3.6Å; M340-M344 WeakPolarHBondContact O-CB 3.48Å; M340-M344 WeakPolarHBondContact O-CG 3.07Å; M340-M344 PolarHBondContact O-N 3.48Å; I341-M344 PolarHBondContact O-N 2.88Å; M344-M347 PolarHBondContact O-N 2.76Å; M344-S348 WeakPolarHBondContact O-CB 3.22Å; M344-S348 PolarHBondContact O-N 3.16Å |
| 345 | E | 52.1 | Low | 46 | Very low | 69 Ų | 69 | 94 Ų | 94 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 171.3 | -78 | -171.3 | 155.5 | 0 | 0 | 111.3 | K287 I341 Q342 R349 | K287-E345 IonicContact NZ-OE1 2.82Å; K287-E345 PolarHBondContact NZ-OE1 3.48Å; I341-E345 HydrophobicContact CG2-CG 4.24Å; I341-E345 VanDerWaalsContact O-CB 3.25Å; I341-E345 WeakPolarHBondContact O-CB 3.45Å; I341-E345 VanDerWaalsContact O-CG 3.28Å; I341-E345 WeakPolarHBondContact O-CG 3.42Å; I341-E345 PolarHBondContact O-N 3.5Å; Q342-E345 PolarHBondContact O-N 3.46Å; E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.33Å; E345-R349 VanDerWaalsContact O-CG 3.29Å; E345-R349 WeakPolarHBondContact O-CG 3.26Å; E345-R349 PolarHBondContact O-N 3.47Å |
| 346 | T | 48.6 | Very low | 45.7 | Very low | 65 Ų | 65 | 92.4 Ų | 92.4 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 167.5 | 32.3 | 0 | 0 | 0 | 0 | 112 | Q342 Q343 R349 T350 | Q342-T346 PolarHBondContact O-N 3.48Å; Q342-T346 PolarHBondContact O-OG1 2.89Å; Q343-T346 VanDerWaalsContact C-OG1 3.22Å; Q343-T346 VanDerWaalsContact CA-OG1 3.23Å; Q343-T346 WeakPolarHBondContact CA-OG1 3.48Å; Q343-T346 PolarHBondContact O-N 3.2Å; Q343-T346 PolarHBondContact O-OG1 2.7Å; T346-R349 PolarHBondContact O-N 3Å; T346-T350 VanDerWaalsContact O-CG2 3.29Å; T346-T350 WeakPolarHBondContact O-CG2 3.41Å; T346-T350 PolarHBondContact O-N 3.03Å; T346-T350 PolarHBondContact O-OG1 3.42Å |
| 347 | M | 44.5 | Very low | 45.2 | Very low | 87 Ų | 87 | 91.1 Ų | 91.1 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 178.8 | -69.7 | 170.7 | 75.8 | 0 | 0 | 112.7 | Q343 M344 T350 | Q343-M347 VanDerWaalsContact O-CG 3.25Å; Q343-M347 WeakPolarHBondContact O-CG 3.41Å; Q343-M347 PolarHBondContact O-N 3.27Å; M344-M347 PolarHBondContact O-N 2.76Å; M347-T350 WeakPolarHBondContact CA-OG1 3.43Å; M347-T350 PolarHBondContact O-N 2.94Å; M347-T350 PolarHBondContact O-OG1 3.05Å |
| 348 | S | 45.8 | Very low | 44.8 | Very low | 75 Ų | 75 | 93.5 Ų | 93.5 | 52% | 0.524 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | M344 T350 | M344-S348 WeakPolarHBondContact O-CB 3.22Å; M344-S348 PolarHBondContact O-N 3.16Å; S348-T350 VanDerWaalsContact C-N 3.34Å; S348-T350 PolarHBondContact O-N 3.34Å |
| 349 | R | 44.9 | Very low | 44.2 | Very low | 220 Ų | 220 | 96.7 Ų | 96.7 | 83% | 0.83 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.6 | -25.7 | 175.5 | -78.2 | 179.5 | 170 | -177.6 | -1.7 | 113.9 | E345 T346 G351 | E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.33Å; E345-R349 VanDerWaalsContact O-CG 3.29Å; E345-R349 WeakPolarHBondContact O-CG 3.26Å; E345-R349 PolarHBondContact O-N 3.47Å; T346-R349 PolarHBondContact O-N 3Å; R349-G351 VanDerWaalsContact C-N 3.32Å; R349-G351 PolarHBondContact O-N 2.93Å |
| 350 | T | 42.3 | Very low | 43.2 | Very low | 16 Ų | 16 | 97.6 Ų | 97.6 | 10% | 0.098 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.1 | 179.9 | 47.9 | 0 | 0 | 0 | 0 | 114.4 | T346 M347 S348 A352 L468 | T346-T350 VanDerWaalsContact O-CG2 3.29Å; T346-T350 WeakPolarHBondContact O-CG2 3.41Å; T346-T350 PolarHBondContact O-N 3.03Å; T346-T350 PolarHBondContact O-OG1 3.42Å; M347-T350 WeakPolarHBondContact CA-OG1 3.43Å; M347-T350 PolarHBondContact O-N 2.94Å; M347-T350 PolarHBondContact O-OG1 3.05Å; S348-T350 VanDerWaalsContact C-N 3.34Å; S348-T350 PolarHBondContact O-N 3.34Å; T350-A352 VanDerWaalsContact C-N 3.27Å; T350-A352 PolarHBondContact O-N 3.33Å; T350-L468 HydrophobicContact CG2-CD1 4.22Å; T350-L468 WeakPolarHBondContact O-CB 3.4Å |
| 351 | G | 42.7 | Very low | 42.5 | Very low | 29 Ų | 29 | 96.1 Ų | 96.1 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 12.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R349 L353 | R349-G351 VanDerWaalsContact C-N 3.32Å; R349-G351 PolarHBondContact O-N 2.93Å; G351-L353 PolarHBondContact O-N 2.86Å; G351-L353 VanDerWaalsContact O-N 3.09Å |
| 352 | A | 41.6 | Very low | 41.7 | Very low | 25 Ų | 25 | 101.2 Ų | 101.2 | 21% | 0.207 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -2.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T350 L468 L470 | T350-A352 VanDerWaalsContact C-N 3.27Å; T350-A352 PolarHBondContact O-N 3.33Å; A352-L468 WeakPolarHBondContact CA-O 3.3Å; A352-L468 VanDerWaalsContact CB-O 3.27Å; A352-L468 WeakPolarHBondContact CB-O 3.44Å; A352-L470 HydrophobicContact CB-CD2 4.18Å |
| 353 | L | 39.6 | Very low | 41.2 | Very low | 97 Ų | 97 | 104.5 Ų | 104.5 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 15.1 | -179.5 | -86.1 | 104.8 | 0 | 0 | 0 | 115.5 | Y290 G351 R355 L470 | Y290-L353 HydrophobicContact CE1-CD1 4.39Å; Y290-L353 HydrophobicContact CE1-CD2 3.92Å; Y290-L353 WeakPolarHBondContact OH-CD1 3.43Å; Y290-L353 WeakPolarHBondContact OH-CD2 3.44Å; Y290-L353 WeakPolarHBondContact OH-CG 3.4Å; G351-L353 PolarHBondContact O-N 2.86Å; G351-L353 VanDerWaalsContact O-N 3.09Å; L353-R355 VanDerWaalsContact C-N 3.33Å; L353-R355 PolarHBondContact O-N 3.39Å; L353-L470 HydrophobicContact CD1-CD2 4Å |
| 354 | R | 39.5 | Very low | 41 | Very low | 161 Ų | 161 | 101.8 Ų | 101.8 | 61% | 0.608 | 54% | 0.539 | S | S | * | . | trans | -85.1 | 72.3 | 176 | -146.3 | 177.1 | -158 | -173.6 | 4.3 | 111.3 | T356 | R354-T356 VanDerWaalsContact C-N 3.32Å; R354-T356 HydrophobicContact CG-CG2 3.85Å; R354-T356 PolarHBondContact O-N 3.45Å | ||
| 355 | R | 39.1 | Very low | 41.4 | Very low | 168 Ų | 168 | 102.3 Ų | 102.3 | 63% | 0.634 | 54% | 0.544 | S | S | * | . | trans | -84 | 86.6 | 144.7 | -83.1 | -173.5 | -177.8 | 146.9 | 0.9 | 106 | L353 L357 E500 | L353-R355 VanDerWaalsContact C-N 3.33Å; L353-R355 PolarHBondContact O-N 3.39Å; R355-L357 PolarHBondContact O-N 2.89Å; R355-E500 PolarHBondContact NH1-O 3.36Å | ||
| 356 | T | 34.4 | Very low | 42.2 | Very low | 89 Ų | 89 | 99.4 Ų | 99.4 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | trans | -67.9 | 102.6 | 165.9 | 28.3 | 0 | 0 | 0 | 0 | 107.9 | R354 T358 | R354-T356 VanDerWaalsContact C-N 3.32Å; R354-T356 HydrophobicContact CG-CG2 3.85Å; R354-T356 PolarHBondContact O-N 3.45Å; T356-T358 PolarHBondContact O-N 3.45Å; T356-T358 VanDerWaalsContact O-N 3.1Å | ||
| 357 | L | 33.3 | Very low | 43.4 | Very low | 171 Ų | 171 | 98.3 Ų | 98.3 | 90% | 0.895 | 52% | 0.522 | S | S | * | . | trans | -51.7 | 109.5 | 149.8 | -111.7 | 95.2 | 0 | 0 | 0 | 106.4 | R355 | R355-L357 PolarHBondContact O-N 2.89Š| ||
| 358 | T | 34 | Very low | 45.3 | Very low | 72 Ų | 72 | 94.1 Ų | 94.1 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | trans | -107.6 | 141.2 | 159.3 | 51.8 | 0 | 0 | 0 | 0 | 106.3 | T356 T360 G361 | T356-T358 PolarHBondContact O-N 3.45Å; T356-T358 VanDerWaalsContact O-N 3.1Å; T358-T360 PolarHBondContact O-N 3.05Å; T358-G361 PolarHBondContact O-N 3.28Å | ||
| 359 | D | 32.4 | Very low | 47.3 | Very low | 182 Ų | 182 | 90.8 Ų | 90.8 | 97% | 0.973 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 8 | -176.6 | -83 | -29.3 | 0 | 0 | 0 | 117.2 | ||
| 360 | T | 31.1 | Very low | 49.4 | Very low | 130 Ų | 130 | 80.4 Ų | 80.4 | 80% | 0.798 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 17.9 | -170.2 | 52.5 | 0 | 0 | 0 | 0 | 115.2 | T358 | T358-T360 PolarHBondContact O-N 3.05Š|
| 361 | G | 34.3 | Very low | 51.4 | Low | 49 Ų | 49 | 81.1 Ų | 81.1 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | trans | 105.6 | 159.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T358 R363 | T358-G361 PolarHBondContact O-N 3.28Å; G361-R363 PolarHBondContact O-N 2.66Å | ||
| 362 | V | 38.3 | Very low | 53.2 | Low | 151 Ų | 151 | 79.7 Ų | 79.7 | 92% | 0.915 | 43% | 0.432 | S | S | * | . | trans | -63.3 | 100.7 | -172.3 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | A364 | V362-A364 PolarHBondContact O-N 2.92Š| ||
| 363 | R | 43 | Very low | 55.1 | Low | 189 Ų | 189 | 79.7 Ų | 79.7 | 71% | 0.713 | 43% | 0.43 | S | S | * | . | trans | -76.1 | 119.9 | 165.8 | -86.7 | -176.8 | 174.5 | 178.5 | 1.6 | 109.4 | G361 V365 | G361-R363 PolarHBondContact O-N 2.66Å; R363-V365 PolarHBondContact O-N 3.4Å | ||
| 364 | A | 48.3 | Very low | 57.1 | Low | 65 Ų | 65 | 77.3 Ų | 77.3 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | trans | -64.7 | 99.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V362 | V362-A364 PolarHBondContact O-N 2.92Š| ||
| 365 | V | 60.1 | Low | 59.3 | Low | 39 Ų | 39 | 70.1 Ų | 70.1 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | trans | -77.6 | 136.7 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | R363 R465 T467 | R363-V365 PolarHBondContact O-N 3.4Å; V365-R465 CarbonylContact C-O 3.57Å; V365-R465 WeakPolarHBondContact CA-O 3.24Å; V365-R465 VanDerWaalsContact CG1-O 3.26Å; V365-R465 WeakPolarHBondContact CG1-O 3.46Å; V365-T467 HydrophobicContact CG1-CG2 3.92Å | ||
| 366 | S | 67.4 | Low | 61.4 | Low | 7 Ų | 7 | 62.5 Ų | 62.5 | 5% | 0.049 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.4 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | R391 R392 S394 R465 T466 T467 | S366-R391 PolarHBondContact OG-NE 3.47Å; S366-R392 WeakPolarHBondContact CA-O 3.37Å; S366-S394 WeakPolarHBondContact CB-O 3.36Å; S366-S394 PolarHBondContact OG-O 2.9Å; S366-R465 PolarHBondContact N-O 2.98Å; S366-T466 VanDerWaalsContact O-CA 3.29Å; S366-T466 WeakPolarHBondContact O-CA 3.5Å; S366-T467 PolarHBondContact O-N 2.95Å |
| 367 | N | 75.7 | Confident | 63.7 | Low | 42 Ų | 42 | 58.6 Ų | 58.6 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 152.4 | 173.6 | 64.6 | -2.9 | 0 | 0 | 0 | 111 | R391 R392 T467 | N367-R391 CarbonylContact O-C 3.5Å; N367-R391 WeakPolarHBondContact O-CA 3.39Å; N367-R392 PolarHBondContact N-O 2.97Å; N367-R392 PolarHBondContact O-N 3.43Å; N367-R392 WeakPolarHBondContact OD1-CA 3.2Å; N367-R392 WeakPolarHBondContact OD1-CB 3.33Å; N367-R392 VanDerWaalsContact OD1-CG 3.29Å; N367-R392 WeakPolarHBondContact OD1-CG 3.47Å; N367-R392 PolarHBondContact OD1-N 3.46Å; N367-R392 PolarHBondContact OD1-O 3.45Å; N367-T467 WeakPolarHBondContact CA-O 3.29Å |
| 368 | F | 84.3 | Confident | 65.9 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.9 | 174.4 | 66.3 | -80.8 | 0 | 0 | 0 | 112.1 | V389 I390 L399 F401 L454 L456 T466 T467 L468 G469 | F368-V389 HydrophobicContact CB-CG1 4.5Å; F368-V389 HydrophobicContact CD2-CG1 4.37Å; F368-I390 VanDerWaalsContact CA-O 3.25Å; F368-I390 WeakPolarHBondContact CA-O 3.44Å; F368-L399 HydrophobicContact CB-CD2 3.7Å; F368-L399 HydrophobicContact CD1-CD1 3.92Å; F368-L399 HydrophobicContact CD1-CD2 3.84Å; F368-L399 HydrophobicContact CD1-CG 4.41Å; F368-L399 HydrophobicContact CE1-CD1 4.17Å; F368-L399 HydrophobicContact CG-CD2 3.86Å; F368-F401 HydrophobicContact CD2-CB 3.93Å; F368-F401 HydrophobicContact CD2-CD1 4.36Å; F368-F401 HydrophobicContact CD2-CG 4.05Å; F368-F401 HydrophobicContact CE1-CB 4.45Å; F368-F401 HydrophobicContact CE2-CB 3.3Å; F368-F401 HydrophobicContact CE2-CD2 4.35Å; F368-F401 AromaticContact CE2-CG 3.86Å; F368-F401 HydrophobicContact CE2-CG 3.86Å; F368-F401 HydrophobicContact CZ-CB 3.61Å; F368-L454 HydrophobicContact CD2-CD1 4.13Å; F368-L454 HydrophobicContact CE2-CB 4.09Å; F368-L454 HydrophobicContact CE2-CD1 4.4Å; F368-L456 HydrophobicContact CE1-CD2 3.72Å; F368-L456 HydrophobicContact CZ-CD2 3.95Å; F368-T466 HydrophobicContact CD1-CG2 4.04Å; F368-T466 HydrophobicContact CE1-CG2 3.83Å; F368-T467 WeakPolarHBondContact CD1-O 3.36Å; F368-T467 PolarHBondContact N-O 3.27Å; F368-T467 VanDerWaalsContact N-O 3.11Å; F368-L468 HydrophobicContact CD2-CD2 4.34Å; F368-L468 HydrophobicContact CE1-CD2 4.43Å; F368-L468 HydrophobicContact CE1-CG 4.35Å; F368-L468 HydrophobicContact CE2-CD2 3.47Å; F368-L468 VanDerWaalsContact CE2-CD2 3.47Å; F368-L468 HydrophobicContact CE2-CG 4.25Å; F368-L468 HydrophobicContact CZ-CD2 3.53Å; F368-L468 HydrophobicContact CZ-CG 3.82Å; F368-G469 PolarHBondContact O-N 2.78Å |
| 369 | E | 87.3 | Confident | 67.9 | Low | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 167.6 | -173.4 | 60.9 | -176.2 | 176 | 0 | 0 | 110.7 | V389 I390 R392 L470 A471 R504 | E369-V389 CarbonylContact O-C 3.49Å; E369-V389 WeakPolarHBondContact O-CA 3.22Å; E369-V389 WeakPolarHBondContact O-CG1 3.19Å; E369-I390 PolarHBondContact N-O 2.88Å; E369-I390 PolarHBondContact O-N 3.29Å; E369-R392 IonicContact OE1-CZ 2.74Å; E369-R392 IonicContact OE1-NE 3.08Å; E369-R392 PolarHBondContact OE1-NE 2.92Å; E369-R392 IonicContact OE1-NH2 3.02Å; E369-R392 PolarHBondContact OE1-NH2 2.85Å; E369-L470 PolarHBondContact OE2-N 3.12Å; E369-L470 VanDerWaalsContact OE2-N 3.14Å; E369-A471 HydrophobicContact CB-CB 4.01Å; E369-A471 HydrophobicContact CG-CB 4.41Å; E369-A471 PolarHBondContact OE2-N 3.16Å; E369-R504 VanDerWaalsContact CD-NH1 3.3Å; E369-R504 IonicContact OE1-CZ 2.62Å; E369-R504 VanDerWaalsContact OE1-CZ 3.32Å; E369-R504 IonicContact OE1-NH1 3.97Å; E369-R504 PolarHBondContact OE1-NH1 3.41Å; E369-R504 VanDerWaalsContact OE1-NH1 3.09Å; E369-R504 IonicContact OE1-NH2 3Å; E369-R504 PolarHBondContact OE1-NH2 3.12Å; E369-R504 IonicContact OE2-CZ 2.79Å; E369-R504 IonicContact OE2-NH1 3.78Å; E369-R504 PolarHBondContact OE2-NH1 3.35Å; E369-R504 IonicContact OE2-NH2 3.47Å |
| 370 | F | 88.3 | Confident | 69.8 | Low | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 145.1 | 169 | -67.5 | -67.1 | 0 | 0 | 0 | 111.2 | A372 L387 K388 V389 I434 V452 L454 A471 A474 | F370-A372 WeakPolarHBondContact CB-O 3.44Å; F370-A372 PolarHBondContact O-N 3.21Å; F370-L387 HydrophobicContact CD1-CB 4.1Å; F370-L387 HydrophobicContact CD1-CD2 4.15Å; F370-L387 HydrophobicContact CE1-CB 4.07Å; F370-L387 HydrophobicContact CE1-CD2 3.8Å; F370-L387 HydrophobicContact CZ-CD2 4.26Å; F370-K388 CarbonylContact C-O 3.49Å; F370-K388 WeakPolarHBondContact CA-O 3.1Å; F370-V389 HydrophobicContact CD1-CG2 3.95Å; F370-V389 HydrophobicContact CE1-CG2 3.9Å; F370-I434 HydrophobicContact CE1-CD1 3.69Å; F370-I434 HydrophobicContact CE1-CG1 4.5Å; F370-I434 HydrophobicContact CZ-CD1 4.24Å; F370-V452 VanDerWaalsContact CE2-O 3.24Å; F370-V452 WeakPolarHBondContact CE2-O 3.42Å; F370-V452 HydrophobicContact CZ-CB 4.06Å; F370-V452 HydrophobicContact CZ-CG1 3.81Å; F370-L454 HydrophobicContact CD1-CD1 4.37Å; F370-L454 HydrophobicContact CD2-CD1 3.91Å; F370-L454 HydrophobicContact CD2-CG 4.08Å; F370-L454 HydrophobicContact CE1-CD1 4.31Å; F370-L454 HydrophobicContact CE1-CD2 3.99Å; F370-L454 HydrophobicContact CE1-CG 4.11Å; F370-L454 HydrophobicContact CE2-CD1 3.87Å; F370-L454 HydrophobicContact CE2-CD2 4.21Å; F370-L454 HydrophobicContact CE2-CG 3.51Å; F370-L454 HydrophobicContact CG-CD1 4.17Å; F370-L454 HydrophobicContact CZ-CD1 4.07Å; F370-L454 HydrophobicContact CZ-CD2 3.68Å; F370-L454 HydrophobicContact CZ-CG 3.52Å; F370-A471 HydrophobicContact CB-CB 4.46Å; F370-A471 WeakPolarHBondContact CB-O 3.27Å; F370-A471 VanDerWaalsContact CD2-O 3.25Å; F370-A471 WeakPolarHBondContact CD2-O 3.3Å; F370-A471 PolarHBondContact N-O 2.96Å; F370-A471 WeakPolarHBondContact O-CB 3.14Å; F370-A474 HydrophobicContact CB-CB 4.27Å; F370-A474 HydrophobicContact CD1-CB 4.22Å; F370-A474 HydrophobicContact CD2-CB 3.44Å; F370-A474 VanDerWaalsContact CD2-CB 3.44Å; F370-A474 HydrophobicContact CE1-CB 4.46Å; F370-A474 HydrophobicContact CE2-CB 3.7Å; F370-A474 HydrophobicContact CG-CB 3.72Å; F370-A474 HydrophobicContact CZ-CB 4.22Å |
| 371 | A | 84.4 | Confident | 71.6 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 26% | 0.256 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -62.2 | -29.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K388 I390 | A371-K388 HydrophobicContact CB-CB 3.83Å; A371-K388 HydrophobicContact CB-CD 4.2Å; A371-K388 HydrophobicContact CB-CG 4.01Å; A371-K388 PolarHBondContact N-O 3.35Å; A371-I390 HydrophobicContact CB-CD1 3.51Å; A371-I390 HydrophobicContact CB-CG1 3.88Å |
| 372 | A | 81.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -140.7 | 143.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F370 Y375 V574 E576 | F370-A372 WeakPolarHBondContact CB-O 3.44Å; F370-A372 PolarHBondContact O-N 3.21Å; A372-Y375 HydrophobicContact CB-CE1 4.09Å; A372-Y375 HydrophobicContact CB-CE2 4.05Å; A372-Y375 PolarHBondContact N-OH 3.23Å; A372-Y375 WeakPolarHBondContact O-CE2 3.45Å; A372-Y375 PolarHBondContact O-OH 3.22Å; A372-V574 HydrophobicContact CB-CG1 3.66Å; A372-V574 HydrophobicContact CB-CG2 4.44Å; A372-E576 WeakPolarHBondContact CB-O 3.48Å | ||
| 373 | T | 80.3 | Confident | 75.8 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -83.2 | -17.6 | 173.2 | 44 | 0 | 0 | 0 | 0 | 112.5 | A471 A474 K475 E576 Y578 | T373-A471 HydrophobicContact CG2-CB 3.76Å; T373-A474 CarbonylContact O-C 3.57Å; T373-A474 VanDerWaalsContact O-CA 3.26Å; T373-A474 WeakPolarHBondContact O-CA 3.08Å; T373-K475 PolarHBondContact O-N 3.38Å; T373-E576 PolarHBondContact OG1-OE1 3.4Å; T373-E576 PolarHBondContact OG1-OE2 3.29Å; T373-Y578 HydrophobicContact CG2-CE2 4.49Å; T373-Y578 WeakPolarHBondContact CG2-OH 3.5Å; T373-Y578 PolarHBondContact OG1-OH 3.11Å |
| 374 | I | 81.5 | Confident | 77.8 | Confident | 46 Ų | 46 | 36 Ų | 36 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 123.3 | -178.2 | -51.4 | 178.6 | 0 | 0 | 0 | 110.5 | K475 I477 I575 E576 | I374-K475 CarbonylContact C-O 3.5Å; I374-K475 WeakPolarHBondContact CA-O 3.17Å; I374-I477 HydrophobicContact CG2-CG2 3.96Å; I374-I575 HydrophobicContact CB-CB 4.12Å; I374-I575 HydrophobicContact CB-CG2 4.48Å; I374-I575 HydrophobicContact CG2-CB 3.86Å; I374-I575 HydrophobicContact CG2-CD1 3.63Å; I374-I575 HydrophobicContact CG2-CG1 4.29Å; I374-I575 HydrophobicContact CG2-CG2 4.19Å; I374-I575 PolarHBondContact O-N 2.89Å; I374-I575 VanDerWaalsContact O-N 3.08Å; I374-E576 HydrophobicContact CB-CB 4.27Å; I374-E576 WeakPolarHBondContact CD1-OE2 3.17Å; I374-E576 HydrophobicContact CG1-CB 4.39Å |
| 375 | Y | 86 | Confident | 79.7 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.1 | 175.3 | -62.5 | -94.7 | 0 | 0 | 0 | 110 | A372 L387 K388 A474 K475 I476 I477 V574 | A372-Y375 HydrophobicContact CB-CE1 4.09Å; A372-Y375 HydrophobicContact CB-CE2 4.05Å; A372-Y375 PolarHBondContact N-OH 3.23Å; A372-Y375 WeakPolarHBondContact O-CE2 3.45Å; A372-Y375 PolarHBondContact O-OH 3.22Å; Y375-L387 HydrophobicContact CD2-CD2 3.83Å; Y375-L387 HydrophobicContact CD2-CG 3.98Å; Y375-L387 HydrophobicContact CE1-CB 4.25Å; Y375-L387 HydrophobicContact CE1-CG 4.42Å; Y375-L387 HydrophobicContact CE2-CB 4Å; Y375-L387 HydrophobicContact CE2-CD2 3.69Å; Y375-L387 HydrophobicContact CE2-CG 3.84Å; Y375-L387 HydrophobicContact CG-CG 4.32Å; Y375-K388 PolarHBondContact OH-N 2.9Å; Y375-K388 PolarHBondContact OH-O 3.1Å; Y375-A474 HydrophobicContact CD2-CB 3.94Å; Y375-A474 HydrophobicContact CE2-CB 3.7Å; Y375-K475 PolarHBondContact N-O 2.95Å; Y375-I476 CarbonylContact O-C 3.52Å; Y375-I476 VanDerWaalsContact O-CA 3.31Å; Y375-I476 WeakPolarHBondContact O-CA 3.29Å; Y375-I477 PolarHBondContact O-N 3.42Å; Y375-V574 HydrophobicContact CD1-CG2 4.32Å; Y375-V574 HydrophobicContact CE1-CG2 4.17Å |
| 376 | A | 83.4 | Confident | 81.1 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I477 P479 L540 G573 I575 | A376-I477 WeakPolarHBondContact CA-O 3.43Å; A376-P479 HydrophobicContact CB-CG 3.94Å; A376-L540 HydrophobicContact CB-CD2 3.88Å; A376-G573 WeakPolarHBondContact CB-O 3.24Å; A376-G573 PolarHBondContact N-O 3.4Å; A376-I575 HydrophobicContact CB-CD1 3.58Å; A376-I575 HydrophobicContact CB-CG1 3.79Å |
| 377 | V | 82.7 | Confident | 82.2 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | trans | -128.1 | 138.8 | 165.1 | 63.5 | 0 | 0 | 0 | 0 | 109.2 | P379 V385 V438 W444 I476 I477 Y478 | V377-P379 VanDerWaalsContact O-CD 3.3Å; V377-P379 WeakPolarHBondContact O-CD 3.42Å; V377-V385 HydrophobicContact CB-CG2 3.56Å; V377-V385 HydrophobicContact CG1-CG2 3.9Å; V377-V385 HydrophobicContact CG2-CG2 3.51Å; V377-V438 HydrophobicContact CG1-CG1 4.41Å; V377-W444 HydrophobicContact CG1-CH2 4.31Å; V377-W444 HydrophobicContact CG1-CZ3 4.25Å; V377-I476 HydrophobicContact CB-CG2 4.37Å; V377-I476 HydrophobicContact CG1-CG2 3.55Å; V377-I477 PolarHBondContact N-O 3.28Å; V377-Y478 WeakPolarHBondContact O-CA 3.1Å | ||
| 378 | N | 79.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | trans | -94.9 | 101.7 | 162.4 | -173.4 | -13.8 | 0 | 0 | 0 | 107.8 | L380 V381 E382 L540 | N378-L380 PolarHBondContact O-N 3.09Å; N378-L380 VanDerWaalsContact O-N 3.11Å; N378-L380 WeakPolarHBondContact OD1-CB 3.11Å; N378-L380 PolarHBondContact OD1-N 2.82Å; N378-L380 VanDerWaalsContact OD1-N 3.16Å; N378-V381 HydrophobicContact CB-CB 4.42Å; N378-V381 HydrophobicContact CB-CG2 4.24Å; N378-V381 PolarHBondContact O-N 2.84Å; N378-E382 PolarHBondContact O-N 3.3Å; N378-E382 VanDerWaalsContact O-N 3.14Å; N378-L540 HydrophobicContact CB-CD1 4.28Å | ||
| 379 | P | 75.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.2 | -175.5 | 24.5 | -32.7 | 0 | 0 | 0 | 111.9 | V377 V381 V438 V441 W444 Y478 | V377-P379 VanDerWaalsContact O-CD 3.3Å; V377-P379 WeakPolarHBondContact O-CD 3.42Å; P379-V381 PolarHBondContact O-N 2.98Å; P379-V438 HydrophobicContact CB-CG2 4.22Å; P379-V441 HydrophobicContact CB-CB 3.93Å; P379-V441 HydrophobicContact CB-CG1 3.79Å; P379-V441 WeakPolarHBondContact O-CB 3.2Å; P379-V441 WeakPolarHBondContact O-CG1 3.46Å; P379-W444 HydrophobicContact CB-CB 4.37Å; P379-W444 HydrophobicContact CB-CD2 4.2Å; P379-W444 HydrophobicContact CB-CG 4.14Å; P379-W444 HydrophobicContact CG-CB 3.68Å; P379-W444 HydrophobicContact CG-CD2 3.97Å; P379-W444 HydrophobicContact CG-CE3 4.04Å; P379-W444 HydrophobicContact CG-CG 3.86Å; P379-Y478 HydrophobicContact CG-CD1 4.1Å; P379-Y478 HydrophobicContact CG-CD2 4.41Å; P379-Y478 HydrophobicContact CG-CE1 4.39Å; P379-Y478 HydrophobicContact CG-CG 4.14Å |
| 380 | L | 73.7 | Confident | 83.3 | Confident | 109 Ų | 109 | 38.7 Ų | 38.7 | 57% | 0.571 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15 | 177.7 | -58.1 | 173.7 | 0 | 0 | 0 | 113.7 | N378 | N378-L380 PolarHBondContact O-N 3.09Å; N378-L380 VanDerWaalsContact O-N 3.11Å; N378-L380 WeakPolarHBondContact OD1-CB 3.11Å; N378-L380 PolarHBondContact OD1-N 2.82Å; N378-L380 VanDerWaalsContact OD1-N 3.16Å |
| 381 | V | 68.5 | Low | 83.1 | Confident | 69 Ų | 69 | 39 Ų | 39 | 42% | 0.418 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -41.3 | -174.3 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | N378 P379 | N378-V381 HydrophobicContact CB-CB 4.42Å; N378-V381 HydrophobicContact CB-CG2 4.24Å; N378-V381 PolarHBondContact O-N 2.84Å; P379-V381 PolarHBondContact O-N 2.98Å |
| 382 | E | 75.9 | Confident | 82.7 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 38% | 0.383 | 20% | 0.199 | S | C | . | . | trans | -134 | 126.6 | -175.6 | -159.2 | 173.1 | 178.2 | 0 | 0 | 110 | N378 K384 | N378-E382 PolarHBondContact O-N 3.3Å; N378-E382 VanDerWaalsContact O-N 3.14Å; E382-K384 VanDerWaalsContact C-N 3.31Å; E382-K384 VanDerWaalsContact CD-O 3.31Å; E382-K384 VanDerWaalsContact CG-O 3.28Å; E382-K384 WeakPolarHBondContact CG-O 3.49Å | ||
| 383 | N | 84 | Confident | 82.2 | Confident | 94 Ų | 94 | 42.6 Ų | 42.6 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -89.5 | 2 | 176.7 | 66.3 | -18.9 | 0 | 0 | 0 | 112.9 | E437 V438 | N383-E437 CarbonylContact O-C 3.53Å; N383-E437 VanDerWaalsContact O-CA 3.27Å; N383-E437 WeakPolarHBondContact O-CA 2.97Å; N383-V438 HydrophobicContact CB-CG2 4.45Å; N383-V438 PolarHBondContact O-N 2.94Å |
| 384 | K | 86.7 | Confident | 81.6 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.1 | -179.1 | -65.2 | -170.9 | 179.2 | -164.6 | 0 | 110.2 | E382 Y386 E437 | E382-K384 VanDerWaalsContact C-N 3.31Å; E382-K384 VanDerWaalsContact CD-O 3.31Å; E382-K384 VanDerWaalsContact CG-O 3.28Å; E382-K384 WeakPolarHBondContact CG-O 3.49Å; K384-Y386 HydrophobicContact CB-CE2 4.27Å; K384-E437 WeakPolarHBondContact CE-OE1 3.33Å; K384-E437 HydrophobicContact CG-CG 4.27Å; K384-E437 IonicContact NZ-OE1 3.34Å; K384-E437 PolarHBondContact NZ-OE1 2.74Å |
| 385 | V | 88.1 | Confident | 81.4 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.5 | 176.2 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | V377 L387 C435 V436 V438 I476 | V377-V385 HydrophobicContact CB-CG2 3.56Å; V377-V385 HydrophobicContact CG1-CG2 3.9Å; V377-V385 HydrophobicContact CG2-CG2 3.51Å; V385-L387 HydrophobicContact CG1-CD1 4.27Å; V385-C435 WeakPolarHBondContact O-CA 3.18Å; V385-V436 PolarHBondContact N-O 2.89Å; V385-V436 PolarHBondContact O-N 2.74Å; V385-V438 HydrophobicContact CG2-CG1 4.24Å; V385-I476 HydrophobicContact CB-CD1 4.15Å; V385-I476 HydrophobicContact CG1-CD1 3.96Å; V385-I476 HydrophobicContact CG1-CG1 4.19Å; V385-I476 HydrophobicContact CG1-CG2 4.42Å; V385-I476 HydrophobicContact CG2-CG2 4.19Å |
| 386 | Y | 89.5 | Confident | 80.8 | Confident | 127 Ų | 127 | 51.2 Ų | 51.2 | 50% | 0.498 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.1 | 177.2 | -64.5 | -86.3 | 0 | 0 | 0 | 109.8 | K384 I434 C435 | K384-Y386 HydrophobicContact CB-CE2 4.27Å; Y386-I434 CarbonylContact C-O 3.39Å; Y386-I434 WeakPolarHBondContact CA-O 3.36Å; Y386-C435 HydrophobicContact CD1-CB 4.01Å; Y386-C435 HydrophobicContact CE1-CB 3.92Å |
| 387 | L | 90.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.6 | 173.1 | -52.9 | 78.6 | 0 | 0 | 0 | 108.7 | F370 Y375 V385 R433 I434 V436 V452 A474 I476 | F370-L387 HydrophobicContact CD1-CB 4.1Å; F370-L387 HydrophobicContact CD1-CD2 4.15Å; F370-L387 HydrophobicContact CE1-CB 4.07Å; F370-L387 HydrophobicContact CE1-CD2 3.8Å; F370-L387 HydrophobicContact CZ-CD2 4.26Å; Y375-L387 HydrophobicContact CD2-CD2 3.83Å; Y375-L387 HydrophobicContact CD2-CG 3.98Å; Y375-L387 HydrophobicContact CE1-CB 4.25Å; Y375-L387 HydrophobicContact CE1-CG 4.42Å; Y375-L387 HydrophobicContact CE2-CB 4Å; Y375-L387 HydrophobicContact CE2-CD2 3.69Å; Y375-L387 HydrophobicContact CE2-CG 3.84Å; Y375-L387 HydrophobicContact CG-CG 4.32Å; V385-L387 HydrophobicContact CG1-CD1 4.27Å; L387-R433 WeakPolarHBondContact O-CA 3.46Å; L387-I434 HydrophobicContact CB-CD1 4.23Å; L387-I434 HydrophobicContact CB-CG1 3.78Å; L387-I434 HydrophobicContact CD1-CD1 4.45Å; L387-I434 HydrophobicContact CD1-CG1 4.2Å; L387-I434 PolarHBondContact N-O 2.97Å; L387-I434 PolarHBondContact O-N 3.05Å; L387-V436 HydrophobicContact CD1-CB 4.48Å; L387-V436 HydrophobicContact CD1-CG2 3.96Å; L387-V452 HydrophobicContact CD2-CB 3.99Å; L387-V452 HydrophobicContact CD2-CG1 4.4Å; L387-V452 HydrophobicContact CD2-CG2 3.88Å; L387-A474 HydrophobicContact CD2-CB 3.8Å; L387-I476 HydrophobicContact CD1-CD1 4.1Å; L387-I476 HydrophobicContact CD2-CD1 4.44Å |
| 388 | K | 90.4 | Very high | 80.5 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.5 | 175.1 | 180 | 177.3 | -85.1 | -170.2 | 0 | 109 | F370 A371 Y375 I390 E431 E571 | F370-K388 CarbonylContact C-O 3.49Å; F370-K388 WeakPolarHBondContact CA-O 3.1Å; A371-K388 HydrophobicContact CB-CB 3.83Å; A371-K388 HydrophobicContact CB-CD 4.2Å; A371-K388 HydrophobicContact CB-CG 4.01Å; A371-K388 PolarHBondContact N-O 3.35Å; Y375-K388 PolarHBondContact OH-N 2.9Å; Y375-K388 PolarHBondContact OH-O 3.1Å; K388-I390 HydrophobicContact CD-CG1 4.38Å; K388-I390 HydrophobicContact CG-CG1 4.22Å; K388-E431 HydrophobicContact CD-CB 4.38Å; K388-E431 WeakPolarHBondContact CD-OE2 3.3Å; K388-E431 WeakPolarHBondContact CE-OE2 3.45Å; K388-E431 HydrophobicContact CG-CB 4.38Å; K388-E431 IonicContact NZ-OE1 2.87Å; K388-E431 PolarHBondContact NZ-OE1 3.39Å; K388-E431 IonicContact NZ-OE2 2.71Å; K388-E431 PolarHBondContact NZ-OE2 2.91Å; K388-E571 VanDerWaalsContact CE-OE1 3.26Å; K388-E571 WeakPolarHBondContact CE-OE1 3.44Å; K388-E571 IonicContact NZ-OE1 2.73Å; K388-E571 PolarHBondContact NZ-OE1 3.09Å |
| 389 | V | 91.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.7 | 171.5 | -174.4 | 0 | 0 | 0 | 0 | 107.2 | F368 E369 F370 F401 M425 E431 K432 I434 L454 | F368-V389 HydrophobicContact CB-CG1 4.5Å; F368-V389 HydrophobicContact CD2-CG1 4.37Å; E369-V389 CarbonylContact O-C 3.49Å; E369-V389 WeakPolarHBondContact O-CA 3.22Å; E369-V389 WeakPolarHBondContact O-CG1 3.19Å; F370-V389 HydrophobicContact CD1-CG2 3.95Å; F370-V389 HydrophobicContact CE1-CG2 3.9Å; V389-F401 HydrophobicContact CB-CZ 4.07Å; V389-F401 HydrophobicContact CG1-CE1 4.29Å; V389-F401 HydrophobicContact CG1-CE2 4.27Å; V389-F401 HydrophobicContact CG1-CZ 3.94Å; V389-F401 HydrophobicContact CG2-CE2 4.06Å; V389-F401 HydrophobicContact CG2-CZ 4.01Å; V389-M425 HydrophobicContact CB-CE 3.76Å; V389-M425 HydrophobicContact CG1-CE 3.63Å; V389-M425 VanDerWaalsContact O-CE 3.25Å; V389-M425 WeakPolarHBondContact O-CE 3.47Å; V389-E431 CarbonylContact O-C 3.56Å; V389-E431 VanDerWaalsContact O-CA 3.27Å; V389-E431 WeakPolarHBondContact O-CA 3Å; V389-K432 PolarHBondContact N-O 3.22Å; V389-K432 PolarHBondContact O-N 2.91Å; V389-I434 HydrophobicContact CG2-CD1 4.42Å; V389-I434 HydrophobicContact CG2-CG1 4.4Å; V389-I434 HydrophobicContact CG2-CG2 4.28Å; V389-L454 HydrophobicContact CG1-CD1 4.06Å; V389-L454 HydrophobicContact CG1-CD2 4.44Å; V389-L454 HydrophobicContact CG2-CD2 4.08Å |
| 390 | I | 87.6 | Confident | 81.3 | Confident | 47 Ų | 47 | 60 Ų | 60 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.2 | -178.8 | -55.6 | 177.1 | 0 | 0 | 0 | 108.5 | F368 E369 A371 K388 | F368-I390 VanDerWaalsContact CA-O 3.25Å; F368-I390 WeakPolarHBondContact CA-O 3.44Å; E369-I390 PolarHBondContact N-O 2.88Å; E369-I390 PolarHBondContact O-N 3.29Å; A371-I390 HydrophobicContact CB-CD1 3.51Å; A371-I390 HydrophobicContact CB-CG1 3.88Å; K388-I390 HydrophobicContact CD-CG1 4.38Å; K388-I390 HydrophobicContact CG-CG1 4.22Å |
| 391 | R | 84.1 | Confident | 82 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.5 | 171.9 | 179.3 | -176.1 | -176.7 | 175.5 | 6.1 | 109.8 | S366 N367 S394 A395 K397 L399 M425 R430 | S366-R391 PolarHBondContact OG-NE 3.47Å; N367-R391 CarbonylContact O-C 3.5Å; N367-R391 WeakPolarHBondContact O-CA 3.39Å; R391-S394 VanDerWaalsContact CZ-O 3.31Å; R391-S394 PolarHBondContact NE-O 3.48Å; R391-S394 PolarHBondContact NH2-O 3.21Å; R391-A395 VanDerWaalsContact CZ-CA 3.5Å; R391-K397 PolarHBondContact NH1-O 3.23Å; R391-K397 PolarHBondContact NH2-O 2.94Å; R391-L399 HydrophobicContact CB-CD2 4.42Å; R391-L399 HydrophobicContact CG-CD2 4.06Å; R391-M425 HydrophobicContact CB-SD 3.83Å; R391-R430 PolarHBondContact N-O 2.86Å |
| 392 | R | 76.2 | Confident | 83 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 165.3 | 170.8 | -16.3 | 175.8 | 157.6 | -131.9 | -11.2 | 111 | S366 N367 E369 D580 | S366-R392 WeakPolarHBondContact CA-O 3.37Å; N367-R392 PolarHBondContact N-O 2.97Å; N367-R392 PolarHBondContact O-N 3.43Å; N367-R392 WeakPolarHBondContact OD1-CA 3.2Å; N367-R392 WeakPolarHBondContact OD1-CB 3.33Å; N367-R392 VanDerWaalsContact OD1-CG 3.29Å; N367-R392 WeakPolarHBondContact OD1-CG 3.47Å; N367-R392 PolarHBondContact OD1-N 3.46Å; N367-R392 PolarHBondContact OD1-O 3.45Å; E369-R392 IonicContact OE1-CZ 2.74Å; E369-R392 IonicContact OE1-NE 3.08Å; E369-R392 PolarHBondContact OE1-NE 2.92Å; E369-R392 IonicContact OE1-NH2 3.02Å; E369-R392 PolarHBondContact OE1-NH2 2.85Å; R392-D580 IonicContact CZ-OD2 3.47Å; R392-D580 IonicContact NH1-OD1 3.5Å; R392-D580 IonicContact NH1-OD2 3.48Å; R392-D580 PolarHBondContact NH1-OD2 2.84Å; R392-D580 IonicContact NH2-OD2 2.72Å; R392-D580 PolarHBondContact NH2-OD2 3.38Å |
| 393 | G | 70.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 42% | 0.423 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 76.7 | -143.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A395 | G393-A395 PolarHBondContact O-N 3.24Š|
| 394 | S | 69.3 | Low | 84.3 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | trans | -72 | 118 | -173.3 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | S366 R391 | S366-S394 WeakPolarHBondContact CB-O 3.36Å; S366-S394 PolarHBondContact OG-O 2.9Å; R391-S394 VanDerWaalsContact CZ-O 3.31Å; R391-S394 PolarHBondContact NE-O 3.48Å; R391-S394 PolarHBondContact NH2-O 3.21Å | ||
| 395 | A | 76.1 | Confident | 84.6 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | trans | -92.5 | 9.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R391 G393 K397 S428 R430 | R391-A395 VanDerWaalsContact CZ-CA 3.5Å; G393-A395 PolarHBondContact O-N 3.24Å; A395-K397 PolarHBondContact O-N 2.92Å; A395-S428 PolarHBondContact O-N 2.68Å; A395-R430 HydrophobicContact CB-CG 4.36Å | ||
| 396 | R | 73.4 | Confident | 84.7 | Confident | 218 Ų | 218 | 47.8 Ų | 47.8 | 82% | 0.823 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -71.9 | -31.6 | -168.4 | -64.5 | -176.8 | -177.5 | 177.8 | 1.2 | 114.6 | ||
| 397 | K | 76.1 | Confident | 84.5 | Confident | 112 Ų | 112 | 44 Ų | 44 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -101.6 | 160.1 | -180 | -68.6 | -172.5 | -179.6 | -177.1 | 0 | 111 | R391 A395 D463 | R391-K397 PolarHBondContact NH1-O 3.23Å; R391-K397 PolarHBondContact NH2-O 2.94Å; A395-K397 PolarHBondContact O-N 2.92Å; K397-D463 IonicContact NZ-OD2 3.79Å; K397-D463 PolarHBondContact NZ-OD2 3.25Å |
| 398 | Q | 84.1 | Confident | 84.3 | Confident | 102 Ų | 102 | 45.7 Ų | 45.7 | 48% | 0.477 | 24% | 0.237 | S | C | . | . | trans | -61.8 | 142.6 | 164.3 | -173.1 | 177.4 | 70.9 | 0 | 0 | 109.9 | V424 M425 P427 | Q398-V424 HydrophobicContact CG-CG1 3.45Å; Q398-V424 VanDerWaalsContact CG-CG1 3.45Å; Q398-V424 VanDerWaalsContact NE2-CG1 3.26Å; Q398-M425 WeakPolarHBondContact CA-O 3.26Å; Q398-M425 WeakPolarHBondContact CG-O 3.17Å; Q398-P427 HydrophobicContact CB-CG 4.44Å | ||
| 399 | L | 83.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.7 | 176.6 | 170 | 71.1 | 0 | 0 | 0 | 108.8 | F368 R391 M425 T460 T466 | F368-L399 HydrophobicContact CB-CD2 3.7Å; F368-L399 HydrophobicContact CD1-CD1 3.92Å; F368-L399 HydrophobicContact CD1-CD2 3.84Å; F368-L399 HydrophobicContact CD1-CG 4.41Å; F368-L399 HydrophobicContact CE1-CD1 4.17Å; F368-L399 HydrophobicContact CG-CD2 3.86Å; R391-L399 HydrophobicContact CB-CD2 4.42Å; R391-L399 HydrophobicContact CG-CD2 4.06Å; L399-M425 HydrophobicContact CB-CB 4.15Å; L399-M425 HydrophobicContact CD2-SD 3.88Å; L399-M425 PolarHBondContact N-O 2.81Å; L399-M425 PolarHBondContact O-N 3.18Å; L399-T460 HydrophobicContact CD1-CG2 4.5Å; L399-T466 HydrophobicContact CD1-CG2 3.26Å |
| 400 | V | 87.2 | Confident | 83.9 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.8 | 178 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | T422 V424 G457 T460 | V400-T422 HydrophobicContact CG1-CG2 3.39Å; V400-V424 HydrophobicContact CG2-CG2 4.32Å; V400-G457 PolarHBondContact O-N 3.45Å; V400-T460 PolarHBondContact O-OG1 2.97Å |
| 401 | F | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.5 | 175.7 | 66.1 | -89.5 | 0 | 0 | 0 | 110.5 | F368 V389 T422 V423 M425 I434 L454 | F368-F401 HydrophobicContact CD2-CB 3.93Å; F368-F401 HydrophobicContact CD2-CD1 4.36Å; F368-F401 HydrophobicContact CD2-CG 4.05Å; F368-F401 HydrophobicContact CE1-CB 4.45Å; F368-F401 HydrophobicContact CE2-CB 3.3Å; F368-F401 HydrophobicContact CE2-CD2 4.35Å; F368-F401 AromaticContact CE2-CG 3.86Å; F368-F401 HydrophobicContact CE2-CG 3.86Å; F368-F401 HydrophobicContact CZ-CB 3.61Å; V389-F401 HydrophobicContact CB-CZ 4.07Å; V389-F401 HydrophobicContact CG1-CE1 4.29Å; V389-F401 HydrophobicContact CG1-CE2 4.27Å; V389-F401 HydrophobicContact CG1-CZ 3.94Å; V389-F401 HydrophobicContact CG2-CE2 4.06Å; V389-F401 HydrophobicContact CG2-CZ 4.01Å; F401-T422 CarbonylContact O-C 3.58Å; F401-T422 WeakPolarHBondContact O-CA 3.24Å; F401-V423 HydrophobicContact CD1-CB 4.49Å; F401-V423 HydrophobicContact CD2-CB 4.35Å; F401-V423 HydrophobicContact CE1-CB 3.95Å; F401-V423 HydrophobicContact CE1-CG1 3.91Å; F401-V423 HydrophobicContact CE2-CB 3.8Å; F401-V423 HydrophobicContact CE2-CG1 4.31Å; F401-V423 HydrophobicContact CE2-CG2 4.19Å; F401-V423 HydrophobicContact CZ-CB 3.58Å; F401-V423 HydrophobicContact CZ-CG1 3.61Å; F401-V423 HydrophobicContact CZ-CG2 4.3Å; F401-V423 PolarHBondContact N-O 2.99Å; F401-V423 PolarHBondContact O-N 3.07Å; F401-M425 HydrophobicContact CE1-CE 3.79Å; F401-M425 HydrophobicContact CE1-CG 4.05Å; F401-M425 HydrophobicContact CE1-SD 4.14Å; F401-M425 HydrophobicContact CZ-CE 4.26Å; F401-I434 HydrophobicContact CE2-CG2 4.34Å; F401-I434 HydrophobicContact CZ-CG2 4.41Å; F401-L454 HydrophobicContact CD2-CD2 3.69Å; F401-L454 HydrophobicContact CE2-CD2 3.77Å |
| 402 | T | 90.2 | Very high | 84 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.3 | 173.3 | -56.6 | 0 | 0 | 0 | 0 | 108.4 | E421 T422 L454 E455 | T402-E421 WeakPolarHBondContact CA-O 3.44Å; T402-T422 PolarHBondContact OG1-OG1 2.97Å; T402-L454 CarbonylContact O-C 3.55Å; T402-E455 PolarHBondContact N-O 3.35Å; T402-E455 PolarHBondContact O-N 2.93Å |
| 403 | Y | 93.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.2 | 166.7 | 74.7 | -88.2 | 0 | 0 | 0 | 110.3 | K419 S420 E421 V423 I434 C435 V436 V452 K453 | Y403-K419 HydrophobicContact CE2-CD 4.25Å; Y403-K419 HydrophobicContact CE2-CG 4.26Å; Y403-K419 VanDerWaalsContact OH-CD 3.27Å; Y403-K419 WeakPolarHBondContact OH-CD 3.43Å; Y403-K419 WeakPolarHBondContact OH-CE 3.37Å; Y403-K419 PolarHBondContact OH-NZ 2.96Å; Y403-S420 VanDerWaalsContact O-CA 3.29Å; Y403-S420 WeakPolarHBondContact O-CA 3.48Å; Y403-E421 HydrophobicContact CD1-CB 4.36Å; Y403-E421 WeakPolarHBondContact CD1-O 3.41Å; Y403-E421 HydrophobicContact CE1-CB 3.6Å; Y403-E421 HydrophobicContact CE1-CG 4.11Å; Y403-E421 PolarHBondContact N-O 2.7Å; Y403-E421 PolarHBondContact O-N 3.4Å; Y403-E421 VanDerWaalsContact O-N 3.1Å; Y403-E421 PolarHBondContact OH-OE2 3.02Å; Y403-V423 HydrophobicContact CD1-CG2 3.75Å; Y403-V423 HydrophobicContact CE1-CG2 3.59Å; Y403-I434 HydrophobicContact CD1-CB 4.29Å; Y403-I434 HydrophobicContact CD1-CD1 3.97Å; Y403-I434 HydrophobicContact CD1-CG2 3.92Å; Y403-I434 HydrophobicContact CD2-CD1 3.71Å; Y403-I434 HydrophobicContact CE1-CB 3.92Å; Y403-I434 HydrophobicContact CE1-CD1 4.29Å; Y403-I434 HydrophobicContact CE1-CG2 3.79Å; Y403-I434 HydrophobicContact CE2-CD1 4.04Å; Y403-I434 HydrophobicContact CG-CD1 3.66Å; Y403-C435 PolarHBondContact OH-O 3.31Å; Y403-V436 HydrophobicContact CE2-CG2 4.2Å; Y403-V452 HydrophobicContact CD2-CG1 3.8Å; Y403-V452 HydrophobicContact CG-CG1 4.49Å; Y403-K453 CarbonylContact C-O 3.34Å; Y403-K453 VanDerWaalsContact CA-O 3.24Å; Y403-K453 WeakPolarHBondContact CA-O 3.36Å |
| 404 | R | 93 | Very high | 85.1 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.4 | 175.4 | 65.7 | 173.4 | 174.8 | 164.5 | -8.6 | 112.8 | V406 K419 V452 K453 E455 | R404-V406 HydrophobicContact CG-CG2 4.39Å; R404-K419 CarbonylContact C-O 3.57Å; R404-K419 WeakPolarHBondContact CA-O 3.44Å; R404-V452 WeakPolarHBondContact O-CA 3.38Å; R404-K453 HydrophobicContact CG-CB 4.35Å; R404-K453 PolarHBondContact N-O 2.94Å; R404-K453 PolarHBondContact O-N 3.42Å; R404-E455 IonicContact CZ-OE1 3.8Å; R404-E455 IonicContact NE-OE1 3.51Å; R404-E455 PolarHBondContact NE-OE1 3.31Å; R404-E455 IonicContact NE-OE2 2.79Å; R404-E455 PolarHBondContact NE-OE2 3.33Å; R404-E455 IonicContact NH2-OE1 3.77Å; R404-E455 PolarHBondContact NH2-OE1 3.15Å |
| 405 | T | 93 | Very high | 86.1 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.3 | 171.8 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | F416 P418 K419 V436 F450 W451 | T405-F416 HydrophobicContact CG2-CD2 4.32Å; T405-F416 HydrophobicContact CG2-CE2 4.36Å; T405-F416 WeakPolarHBondContact OG1-CE2 3.39Å; T405-P418 WeakPolarHBondContact OG1-CA 3.46Å; T405-K419 HydrophobicContact CG2-CB 4.06Å; T405-K419 PolarHBondContact N-O 3.47Å; T405-K419 PolarHBondContact OG1-N 3.25Å; T405-K419 PolarHBondContact OG1-O 2.91Å; T405-V436 HydrophobicContact CG2-CG1 3.71Å; T405-V436 HydrophobicContact CG2-CG2 4.23Å; T405-F450 HydrophobicContact CG2-CE2 4.22Å; T405-W451 CarbonylContact C-O 3.54Å; T405-W451 WeakPolarHBondContact CA-O 3.35Å |
| 406 | V | 89.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.5 | 178.8 | -178 | 0 | 0 | 0 | 0 | 108.9 | R404 W451 | R404-V406 HydrophobicContact CG-CG2 4.39Å; V406-W451 HydrophobicContact CB-CB 4.27Å; V406-W451 PolarHBondContact N-O 3.16Å; V406-W451 PolarHBondContact O-N 2.99Å |
| 407 | A | 86.4 | Confident | 87.5 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 41% | 0.405 | 27% | 0.267 | S | S | . | . | trans | -64.5 | 143.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F416 | A407-F416 HydrophobicContact CB-CE1 4.4Å; A407-F416 HydrophobicContact CB-CZ 4.23Å | ||
| 408 | G | 85.9 | Confident | 88.1 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -123.6 | -128.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A410 G449 | G408-A410 VanDerWaalsContact C-N 3.27Å; G408-A410 PolarHBondContact N-O 2.69Å; G408-G449 CarbonylContact C-O 3.48Å; G408-G449 WeakPolarHBondContact CA-O 3.45Å |
| 409 | T | 87.2 | Confident | 88.5 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -67.4 | -33.6 | 165.9 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | M448 G449 | T409-M448 WeakPolarHBondContact O-CE 3.31Å; T409-M448 WeakPolarHBondContact OG1-CA 3.29Å; T409-G449 PolarHBondContact N-O 3.41Å; T409-G449 PolarHBondContact OG1-N 3.5Å; T409-G449 PolarHBondContact OG1-O 2.64Å |
| 410 | A | 85.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.4 | 123.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G408 H415 F416 W444 M448 G449 F450 | G408-A410 VanDerWaalsContact C-N 3.27Å; G408-A410 PolarHBondContact N-O 2.69Å; A410-H415 HydrophobicContact CB-CB 3.75Å; A410-F416 HydrophobicContact CB-CD1 4.48Å; A410-F416 WeakPolarHBondContact O-CE1 3.42Å; A410-W444 HydrophobicContact CB-CH2 4.48Å; A410-W444 HydrophobicContact CB-CZ2 4.44Å; A410-M448 HydrophobicContact CB-CB 4.46Å; A410-G449 PolarHBondContact N-O 3.4Å; A410-F450 HydrophobicContact CB-CB 4.04Å; A410-F450 HydrophobicContact CB-CD1 4.15Å |
| 411 | Q | 86.3 | Confident | 89 | Confident | 123 Ų | 123 | 53.2 Ų | 53.2 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 145.5 | -178.4 | -65.2 | -177.9 | -11.9 | 0 | 0 | 113.5 | A414 H415 | Q411-A414 HydrophobicContact CB-CB 4.03Å; Q411-A414 PolarHBondContact O-N 3.12Å; Q411-H415 PolarHBondContact N-ND1 2.84Å; Q411-H415 WeakPolarHBondContact O-CB 3.15Å; Q411-H415 PolarHBondContact O-N 2.91Å; Q411-H415 PolarHBondContact O-ND1 2.95Å |
| 412 | R | 87.1 | Confident | 89.1 | Confident | 139 Ų | 139 | 56.6 Ų | 56.6 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -56.3 | 139.1 | 173.2 | 177.1 | -175 | -69.7 | -141.8 | -1 | 111.1 | A414 F416 P418 | R412-A414 PolarHBondContact O-N 3.25Å; R412-F416 HydrophobicContact CB-CE2 4.49Å; R412-F416 HydrophobicContact CB-CZ 4.1Å; R412-P418 HydrophobicContact CG-CB 3.77Å; R412-P418 HydrophobicContact CG-CG 3.68Å |
| 413 | N | 85.7 | Confident | 89.1 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -17.5 | -178.7 | -61.2 | -23 | 0 | 0 | 0 | 115.7 | F416 P418 N440 | N413-F416 PolarHBondContact N-O 3.4Å; N413-P418 WeakPolarHBondContact OD1-CD 3.46Å; N413-P418 WeakPolarHBondContact OD1-CG 3.34Å; N413-N440 PolarHBondContact O-ND2 3.5Å |
| 414 | A | 85.1 | Confident | 89 | Confident | 22 Ų | 22 | 59 Ų | 59 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -36.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q411 R412 N440 | Q411-A414 HydrophobicContact CB-CB 4.03Å; Q411-A414 PolarHBondContact O-N 3.12Å; R412-A414 PolarHBondContact O-N 3.25Å; A414-N440 VanDerWaalsContact O-CB 3.28Å; A414-N440 WeakPolarHBondContact O-CB 3.27Å; A414-N440 PolarHBondContact O-ND2 2.91Å |
| 415 | H | 88.4 | Confident | 88.7 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | -31.1 | -172.9 | -59.7 | 96.2 | 0 | 0 | 0 | 112.8 | A410 Q411 C439 K443 W444 M448 | A410-H415 HydrophobicContact CB-CB 3.75Å; Q411-H415 PolarHBondContact N-ND1 2.84Å; Q411-H415 WeakPolarHBondContact O-CB 3.15Å; Q411-H415 PolarHBondContact O-N 2.91Å; Q411-H415 PolarHBondContact O-ND1 2.95Å; H415-C439 CarbonylContact C-O 3.56Å; H415-C439 VanDerWaalsContact C-SG 3.6Å; H415-C439 WeakPolarHBondContact CA-O 3.44Å; H415-C439 PolarHBondContact O-N 2.87Å; H415-K443 PolarHBondContact NE2-O 3.48Å; H415-W444 VanDerWaalsContact C-NE1 3.29Å; H415-W444 HydrophobicContact CB-CD2 4.46Å; H415-W444 HydrophobicContact CB-CZ2 4.04Å; H415-W444 VanDerWaalsContact CB-NE1 3.26Å; H415-W444 AromaticContact CD2-CD1 3.61Å; H415-W444 AromaticContact CD2-NE1 3.95Å; H415-W444 VanDerWaalsContact O-CE2 3.27Å; H415-W444 WeakPolarHBondContact O-CZ2 3.33Å; H415-W444 PolarHBondContact O-NE1 3.06Å; H415-M448 WeakPolarHBondContact NE2-CE 3.46Å |
| 416 | F | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -143.1 | 154.5 | 176.3 | 67 | -85.7 | 0 | 0 | 0 | 110.3 | T405 A407 A410 R412 N413 C439 F450 | T405-F416 HydrophobicContact CG2-CD2 4.32Å; T405-F416 HydrophobicContact CG2-CE2 4.36Å; T405-F416 WeakPolarHBondContact OG1-CE2 3.39Å; A407-F416 HydrophobicContact CB-CE1 4.4Å; A407-F416 HydrophobicContact CB-CZ 4.23Å; A410-F416 HydrophobicContact CB-CD1 4.48Å; A410-F416 WeakPolarHBondContact O-CE1 3.42Å; R412-F416 HydrophobicContact CB-CE2 4.49Å; R412-F416 HydrophobicContact CB-CZ 4.1Å; N413-F416 PolarHBondContact N-O 3.4Å; F416-C439 VanDerWaalsContact C-SG 3.54Å; F416-C439 PolarHBondContact N-SG 3.37Å; F416-F450 HydrophobicContact CB-CD1 4.08Å; F416-F450 HydrophobicContact CB-CE1 3.69Å; F416-F450 HydrophobicContact CB-CE2 4.26Å; F416-F450 HydrophobicContact CB-CZ 3.79Å; F416-F450 HydrophobicContact CD1-CB 3.73Å; F416-F450 AromaticContact CD1-CD1 3.56Å; F416-F450 HydrophobicContact CD1-CD1 3.56Å; F416-F450 AromaticContact CD1-CD2 3.92Å; F416-F450 HydrophobicContact CD1-CD2 3.92Å; F416-F450 HydrophobicContact CD1-CE1 4.08Å; F416-F450 HydrophobicContact CD1-CE2 4.41Å; F416-F450 AromaticContact CD1-CG 3.46Å; F416-F450 HydrophobicContact CD1-CG 3.46Å; F416-F450 VanDerWaalsContact CD1-CG 3.46Å; F416-F450 HydrophobicContact CD1-CZ 4.48Å; F416-F450 HydrophobicContact CD2-CD2 4.05Å; F416-F450 HydrophobicContact CD2-CE2 4.07Å; F416-F450 HydrophobicContact CD2-CG 4.42Å; F416-F450 HydrophobicContact CD2-CZ 4.44Å; F416-F450 HydrophobicContact CE1-CB 3.47Å; F416-F450 VanDerWaalsContact CE1-CB 3.47Å; F416-F450 HydrophobicContact CE1-CD1 4.23Å; F416-F450 HydrophobicContact CE1-CD2 4.07Å; F416-F450 AromaticContact CE1-CG 3.68Å; F416-F450 HydrophobicContact CE1-CG 3.68Å; F416-F450 HydrophobicContact CE2-CD2 4.22Å; F416-F450 AromaticContact CG-CD1 3.9Å; F416-F450 HydrophobicContact CG-CD1 3.9Å; F416-F450 AromaticContact CG-CD2 3.91Å; F416-F450 HydrophobicContact CG-CD2 3.91Å; F416-F450 AromaticContact CG-CE1 3.95Å; F416-F450 HydrophobicContact CG-CE1 3.95Å; F416-F450 AromaticContact CG-CE2 3.98Å; F416-F450 HydrophobicContact CG-CE2 3.98Å; F416-F450 AromaticContact CG-CG 3.87Å; F416-F450 HydrophobicContact CG-CG 3.87Å; F416-F450 AromaticContact CG-CZ 3.99Å; F416-F450 HydrophobicContact CG-CZ 3.99Å; F416-F450 HydrophobicContact CZ-CB 4.12Å; F416-F450 HydrophobicContact CZ-CD2 4.21Å; F416-F450 HydrophobicContact CZ-CG 4.27Å |
| 417 | L | 89.4 | Confident | 88.4 | Confident | 76 Ų | 76 | 59 Ų | 59 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | trans | -81.4 | 123.5 | 174.5 | -63.7 | 178.6 | 0 | 0 | 0 | 109 | K419 E437 C439 | L417-K419 PolarHBondContact O-N 2.93Å; L417-E437 HydrophobicContact CD1-CB 4.27Å; L417-E437 PolarHBondContact N-O 3.33Å; L417-E437 VanDerWaalsContact N-O 3.09Å; L417-C439 HydrophobicContact CD2-CB 4.16Å; L417-C439 HydrophobicContact CG-CB 4.15Å | ||
| 418 | P | 89.7 | Confident | 88.2 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | trans | -60.7 | 126.4 | 178.2 | 23.6 | -31 | 0 | 0 | 0 | 109.9 | T405 R412 N413 | T405-P418 WeakPolarHBondContact OG1-CA 3.46Å; R412-P418 HydrophobicContact CG-CB 3.77Å; R412-P418 HydrophobicContact CG-CG 3.68Å; N413-P418 WeakPolarHBondContact OD1-CD 3.46Å; N413-P418 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 419 | K | 91.4 | Very high | 88.3 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | trans | -127.8 | 134 | 179.6 | -160.9 | 169.8 | -177 | -162.7 | 0 | 110.1 | Y403 R404 T405 L417 E421 C435 | Y403-K419 HydrophobicContact CE2-CD 4.25Å; Y403-K419 HydrophobicContact CE2-CG 4.26Å; Y403-K419 VanDerWaalsContact OH-CD 3.27Å; Y403-K419 WeakPolarHBondContact OH-CD 3.43Å; Y403-K419 WeakPolarHBondContact OH-CE 3.37Å; Y403-K419 PolarHBondContact OH-NZ 2.96Å; R404-K419 CarbonylContact C-O 3.57Å; R404-K419 WeakPolarHBondContact CA-O 3.44Å; T405-K419 HydrophobicContact CG2-CB 4.06Å; T405-K419 PolarHBondContact N-O 3.47Å; T405-K419 PolarHBondContact OG1-N 3.25Å; T405-K419 PolarHBondContact OG1-O 2.91Å; L417-K419 PolarHBondContact O-N 2.93Å; K419-E421 WeakPolarHBondContact CE-OE2 3.44Å; K419-E421 IonicContact NZ-OE2 3.96Å; K419-E421 PolarHBondContact NZ-OE2 3.17Å; K419-C435 WeakPolarHBondContact CD-O 3.36Å; K419-C435 PolarHBondContact NZ-O 3.1Å | ||
| 420 | S | 91.7 | Very high | 88.2 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 63% | 0.629 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 114.3 | 171.4 | -169 | 0 | 0 | 0 | 0 | 107.2 | Y403 | Y403-S420 VanDerWaalsContact O-CA 3.29Å; Y403-S420 WeakPolarHBondContact O-CA 3.48Å |
| 421 | E | 90.7 | Very high | 88.4 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 138 | -172 | 178.9 | 178.5 | -163.3 | 0 | 0 | 109.6 | T402 Y403 K419 V423 | T402-E421 WeakPolarHBondContact CA-O 3.44Å; Y403-E421 HydrophobicContact CD1-CB 4.36Å; Y403-E421 WeakPolarHBondContact CD1-O 3.41Å; Y403-E421 HydrophobicContact CE1-CB 3.6Å; Y403-E421 HydrophobicContact CE1-CG 4.11Å; Y403-E421 PolarHBondContact N-O 2.7Å; Y403-E421 PolarHBondContact O-N 3.4Å; Y403-E421 VanDerWaalsContact O-N 3.1Å; Y403-E421 PolarHBondContact OH-OE2 3.02Å; K419-E421 WeakPolarHBondContact CE-OE2 3.44Å; K419-E421 IonicContact NZ-OE2 3.96Å; K419-E421 PolarHBondContact NZ-OE2 3.17Å; E421-V423 HydrophobicContact CG-CG2 4.38Å |
| 422 | T | 90.9 | Very high | 88.6 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.1 | 173.9 | -57.2 | 0 | 0 | 0 | 0 | 109 | V400 F401 T402 | V400-T422 HydrophobicContact CG1-CG2 3.39Å; F401-T422 CarbonylContact O-C 3.58Å; F401-T422 WeakPolarHBondContact O-CA 3.24Å; T402-T422 PolarHBondContact OG1-OG1 2.97Å |
| 423 | V | 90.8 | Very high | 88.8 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138.1 | -173.8 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | F401 Y403 E421 K432 I434 | F401-V423 HydrophobicContact CD1-CB 4.49Å; F401-V423 HydrophobicContact CD2-CB 4.35Å; F401-V423 HydrophobicContact CE1-CB 3.95Å; F401-V423 HydrophobicContact CE1-CG1 3.91Å; F401-V423 HydrophobicContact CE2-CB 3.8Å; F401-V423 HydrophobicContact CE2-CG1 4.31Å; F401-V423 HydrophobicContact CE2-CG2 4.19Å; F401-V423 HydrophobicContact CZ-CB 3.58Å; F401-V423 HydrophobicContact CZ-CG1 3.61Å; F401-V423 HydrophobicContact CZ-CG2 4.3Å; F401-V423 PolarHBondContact N-O 2.99Å; F401-V423 PolarHBondContact O-N 3.07Å; Y403-V423 HydrophobicContact CD1-CG2 3.75Å; Y403-V423 HydrophobicContact CE1-CG2 3.59Å; E421-V423 HydrophobicContact CG-CG2 4.38Å; V423-K432 HydrophobicContact CG1-CD 4.45Å; V423-K432 HydrophobicContact CG1-CG 3.65Å; V423-I434 HydrophobicContact CG2-CG2 4.01Å |
| 424 | V | 89.8 | Confident | 89.2 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 30% | 0.303 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120 | -180 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | Q398 V400 K432 | Q398-V424 HydrophobicContact CG-CG1 3.45Å; Q398-V424 VanDerWaalsContact CG-CG1 3.45Å; Q398-V424 VanDerWaalsContact NE2-CG1 3.26Å; V400-V424 HydrophobicContact CG2-CG2 4.32Å; V424-K432 WeakPolarHBondContact O-CE 3.29Å; V424-K432 PolarHBondContact O-NZ 3.21Å |
| 425 | M | 88.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121 | 164.9 | -83 | 176.7 | -172.6 | 0 | 0 | 109.3 | V389 R391 Q398 L399 F401 E429 K432 | V389-M425 HydrophobicContact CB-CE 3.76Å; V389-M425 HydrophobicContact CG1-CE 3.63Å; V389-M425 VanDerWaalsContact O-CE 3.25Å; V389-M425 WeakPolarHBondContact O-CE 3.47Å; R391-M425 HydrophobicContact CB-SD 3.83Å; Q398-M425 WeakPolarHBondContact CA-O 3.26Å; Q398-M425 WeakPolarHBondContact CG-O 3.17Å; L399-M425 HydrophobicContact CB-CB 4.15Å; L399-M425 HydrophobicContact CD2-SD 3.88Å; L399-M425 PolarHBondContact N-O 2.81Å; L399-M425 PolarHBondContact O-N 3.18Å; F401-M425 HydrophobicContact CE1-CE 3.79Å; F401-M425 HydrophobicContact CE1-CG 4.05Å; F401-M425 HydrophobicContact CE1-SD 4.14Å; F401-M425 HydrophobicContact CZ-CE 4.26Å; M425-E429 VanDerWaalsContact CA-OE2 3.25Å; M425-E429 WeakPolarHBondContact CA-OE2 3.07Å; M425-E429 HydrophobicContact CB-CB 4.49Å; M425-K432 HydrophobicContact CE-CB 3.38Å; M425-K432 HydrophobicContact CG-CB 3.79Å; M425-K432 HydrophobicContact CG-CD 4.25Å; M425-K432 HydrophobicContact CG-CG 4.25Å; M425-K432 HydrophobicContact SD-CB 4.38Å |
| 426 | Q | 89.9 | Confident | 89.7 | Confident | 96 Ų | 96 | 62 Ų | 62 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 160.6 | 179.9 | -62.5 | -58.8 | -15.5 | 0 | 0 | 111.7 | S428 E429 | Q426-S428 PolarHBondContact O-N 3.32Å; Q426-E429 HydrophobicContact CB-CB 4.33Å; Q426-E429 PolarHBondContact N-OE2 3.09Å; Q426-E429 WeakPolarHBondContact O-CB 3.15Å; Q426-E429 PolarHBondContact O-N 3.3Å |
| 427 | P | 85 | Confident | 89.7 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 137.1 | 166.5 | -26 | 35.2 | 0 | 0 | 0 | 110.9 | Q398 E429 | Q398-P427 HydrophobicContact CB-CG 4.44Å; P427-E429 PolarHBondContact O-N 3.22Å |
| 428 | S | 83.5 | Confident | 89.7 | Confident | 100 Ų | 100 | 62 Ų | 62 | 70% | 0.699 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -7.3 | -174.5 | -52.2 | 0 | 0 | 0 | 0 | 116.4 | A395 Q426 R430 | A395-S428 PolarHBondContact O-N 2.68Å; Q426-S428 PolarHBondContact O-N 3.32Å; S428-R430 PolarHBondContact O-N 2.97Å |
| 429 | E | 87.8 | Confident | 89.4 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | trans | -74 | 116.6 | 173 | -166.7 | 171.1 | -156.4 | 0 | 0 | 109.8 | M425 Q426 P427 E431 K432 | M425-E429 VanDerWaalsContact CA-OE2 3.25Å; M425-E429 WeakPolarHBondContact CA-OE2 3.07Å; M425-E429 HydrophobicContact CB-CB 4.49Å; Q426-E429 HydrophobicContact CB-CB 4.33Å; Q426-E429 PolarHBondContact N-OE2 3.09Å; Q426-E429 WeakPolarHBondContact O-CB 3.15Å; Q426-E429 PolarHBondContact O-N 3.3Å; P427-E429 PolarHBondContact O-N 3.22Å; E429-E431 VanDerWaalsContact CG-O 3.31Å; E429-E431 WeakPolarHBondContact CG-O 3.5Å; E429-K432 WeakPolarHBondContact OE1-CD 3.32Å; E429-K432 WeakPolarHBondContact OE1-CE 3.34Å; E429-K432 IonicContact OE1-NZ 2.88Å; E429-K432 PolarHBondContact OE1-NZ 3.36Å; E429-K432 IonicContact OE2-NZ 2.93Å; E429-K432 PolarHBondContact OE2-NZ 2.89Å | ||
| 430 | R | 84 | Confident | 88.8 | Confident | 150 Ų | 150 | 61.3 Ų | 61.3 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | trans | -99.4 | -13.6 | -178.8 | -72.1 | -170.4 | 175.8 | -101.5 | 4 | 114.2 | R391 A395 S428 | R391-R430 PolarHBondContact N-O 2.86Å; A395-R430 HydrophobicContact CB-CG 4.36Å; S428-R430 PolarHBondContact O-N 2.97Å | ||
| 431 | E | 90.1 | Very high | 87.9 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148 | 178.6 | 56.3 | 172.6 | -144.8 | 0 | 0 | 111 | K388 V389 E429 | K388-E431 HydrophobicContact CD-CB 4.38Å; K388-E431 WeakPolarHBondContact CD-OE2 3.3Å; K388-E431 WeakPolarHBondContact CE-OE2 3.45Å; K388-E431 HydrophobicContact CG-CB 4.38Å; K388-E431 IonicContact NZ-OE1 2.87Å; K388-E431 PolarHBondContact NZ-OE1 3.39Å; K388-E431 IonicContact NZ-OE2 2.71Å; K388-E431 PolarHBondContact NZ-OE2 2.91Å; V389-E431 CarbonylContact O-C 3.56Å; V389-E431 VanDerWaalsContact O-CA 3.27Å; V389-E431 WeakPolarHBondContact O-CA 3Å; E429-E431 VanDerWaalsContact CG-O 3.31Å; E429-E431 WeakPolarHBondContact CG-O 3.5Å |
| 432 | K | 91.7 | Very high | 87.2 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 140.3 | 177 | -158.4 | 74 | 171.8 | -168.8 | 0 | 109.3 | V389 V423 V424 M425 E429 | V389-K432 PolarHBondContact N-O 3.22Å; V389-K432 PolarHBondContact O-N 2.91Å; V423-K432 HydrophobicContact CG1-CD 4.45Å; V423-K432 HydrophobicContact CG1-CG 3.65Å; V424-K432 WeakPolarHBondContact O-CE 3.29Å; V424-K432 PolarHBondContact O-NZ 3.21Å; M425-K432 HydrophobicContact CE-CB 3.38Å; M425-K432 HydrophobicContact CG-CB 3.79Å; M425-K432 HydrophobicContact CG-CD 4.25Å; M425-K432 HydrophobicContact CG-CG 4.25Å; M425-K432 HydrophobicContact SD-CB 4.38Å; E429-K432 WeakPolarHBondContact OE1-CD 3.32Å; E429-K432 WeakPolarHBondContact OE1-CE 3.34Å; E429-K432 IonicContact OE1-NZ 2.88Å; E429-K432 PolarHBondContact OE1-NZ 3.36Å; E429-K432 IonicContact OE2-NZ 2.93Å; E429-K432 PolarHBondContact OE2-NZ 2.89Å |
| 433 | R | 91.9 | Very high | 86.7 | Confident | 153 Ų | 153 | 66.7 Ų | 66.7 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.5 | 174.2 | -72.8 | -179.6 | 167.9 | 172.2 | -3.6 | 110.2 | L387 E571 | L387-R433 WeakPolarHBondContact O-CA 3.46Å; R433-E571 IonicContact CZ-OE2 2.78Å; R433-E571 IonicContact NH2-OE1 3.78Å; R433-E571 IonicContact NH2-OE2 3.81Å; R433-E571 PolarHBondContact NH2-OE2 3.17Å |
| 434 | I | 92.9 | Very high | 86.1 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.7 | 170.7 | 65.2 | 166.2 | 0 | 0 | 0 | 109.4 | F370 Y386 L387 V389 F401 Y403 V423 V452 | F370-I434 HydrophobicContact CE1-CD1 3.69Å; F370-I434 HydrophobicContact CE1-CG1 4.5Å; F370-I434 HydrophobicContact CZ-CD1 4.24Å; Y386-I434 CarbonylContact C-O 3.39Å; Y386-I434 WeakPolarHBondContact CA-O 3.36Å; L387-I434 HydrophobicContact CB-CD1 4.23Å; L387-I434 HydrophobicContact CB-CG1 3.78Å; L387-I434 HydrophobicContact CD1-CD1 4.45Å; L387-I434 HydrophobicContact CD1-CG1 4.2Å; L387-I434 PolarHBondContact N-O 2.97Å; L387-I434 PolarHBondContact O-N 3.05Å; V389-I434 HydrophobicContact CG2-CD1 4.42Å; V389-I434 HydrophobicContact CG2-CG1 4.4Å; V389-I434 HydrophobicContact CG2-CG2 4.28Å; F401-I434 HydrophobicContact CE2-CG2 4.34Å; F401-I434 HydrophobicContact CZ-CG2 4.41Å; Y403-I434 HydrophobicContact CD1-CB 4.29Å; Y403-I434 HydrophobicContact CD1-CD1 3.97Å; Y403-I434 HydrophobicContact CD1-CG2 3.92Å; Y403-I434 HydrophobicContact CD2-CD1 3.71Å; Y403-I434 HydrophobicContact CE1-CB 3.92Å; Y403-I434 HydrophobicContact CE1-CD1 4.29Å; Y403-I434 HydrophobicContact CE1-CG2 3.79Å; Y403-I434 HydrophobicContact CE2-CD1 4.04Å; Y403-I434 HydrophobicContact CG-CD1 3.66Å; V423-I434 HydrophobicContact CG2-CG2 4.01Å; I434-V452 HydrophobicContact CD1-CG1 4.13Å |
| 435 | C | 92 | Very high | 85.7 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.1 | -176.8 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | V385 Y386 Y403 K419 | V385-C435 WeakPolarHBondContact O-CA 3.18Å; Y386-C435 HydrophobicContact CD1-CB 4.01Å; Y386-C435 HydrophobicContact CE1-CB 3.92Å; Y403-C435 PolarHBondContact OH-O 3.31Å; K419-C435 WeakPolarHBondContact CD-O 3.36Å; K419-C435 PolarHBondContact NZ-O 3.1Å |
| 436 | V | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.9 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | V385 L387 Y403 T405 F450 V452 I476 | V385-V436 PolarHBondContact N-O 2.89Å; V385-V436 PolarHBondContact O-N 2.74Å; L387-V436 HydrophobicContact CD1-CB 4.48Å; L387-V436 HydrophobicContact CD1-CG2 3.96Å; Y403-V436 HydrophobicContact CE2-CG2 4.2Å; T405-V436 HydrophobicContact CG2-CG1 3.71Å; T405-V436 HydrophobicContact CG2-CG2 4.23Å; V436-F450 HydrophobicContact CG1-CE2 3.81Å; V436-F450 HydrophobicContact CG1-CZ 3.76Å; V436-V452 HydrophobicContact CG2-CG2 4.08Å; V436-I476 HydrophobicContact CB-CD1 4.33Å |
| 437 | E | 89.7 | Confident | 84.7 | Confident | 69 Ų | 69 | 74 Ų | 74 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.6 | -177 | -53.9 | -167.1 | 160.7 | 0 | 0 | 111.5 | N383 K384 L417 | N383-E437 CarbonylContact O-C 3.53Å; N383-E437 VanDerWaalsContact O-CA 3.27Å; N383-E437 WeakPolarHBondContact O-CA 2.97Å; K384-E437 WeakPolarHBondContact CE-OE1 3.33Å; K384-E437 HydrophobicContact CG-CG 4.27Å; K384-E437 IonicContact NZ-OE1 3.34Å; K384-E437 PolarHBondContact NZ-OE1 2.74Å; L417-E437 HydrophobicContact CD1-CB 4.27Å; L417-E437 PolarHBondContact N-O 3.33Å; L417-E437 VanDerWaalsContact N-O 3.09Å |
| 438 | V | 89.1 | Confident | 84.7 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -96 | 143.2 | 172 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | V377 P379 N383 V385 V441 W444 F450 | V377-V438 HydrophobicContact CG1-CG1 4.41Å; P379-V438 HydrophobicContact CB-CG2 4.22Å; N383-V438 HydrophobicContact CB-CG2 4.45Å; N383-V438 PolarHBondContact O-N 2.94Å; V385-V438 HydrophobicContact CG2-CG1 4.24Å; V438-V441 HydrophobicContact CG2-CG1 4.47Å; V438-W444 HydrophobicContact CB-CZ2 3.98Å; V438-W444 HydrophobicContact CG1-CH2 3.96Å; V438-W444 HydrophobicContact CG1-CZ2 3.59Å; V438-F450 HydrophobicContact CG1-CE1 4.06Å; V438-F450 HydrophobicContact CG1-CZ 4.42Å |
| 439 | C | 83.6 | Confident | 84.8 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 14% | 0.142 | 31% | 0.309 | C | S | . | . | trans | -130.8 | 163 | -177.8 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | H415 F416 L417 V441 W444 | H415-C439 CarbonylContact C-O 3.56Å; H415-C439 VanDerWaalsContact C-SG 3.6Å; H415-C439 WeakPolarHBondContact CA-O 3.44Å; H415-C439 PolarHBondContact O-N 2.87Å; F416-C439 VanDerWaalsContact C-SG 3.54Å; F416-C439 PolarHBondContact N-SG 3.37Å; L417-C439 HydrophobicContact CD2-CB 4.16Å; L417-C439 HydrophobicContact CG-CB 4.15Å; C439-V441 PolarHBondContact O-N 3.41Å; C439-W444 PolarHBondContact O-NE1 3.48Å | ||
| 440 | N | 79.2 | Confident | 85 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | trans | 44.6 | 58.2 | -175.9 | -46 | -46.6 | 0 | 0 | 0 | 112.6 | N413 A414 E442 K443 | N413-N440 PolarHBondContact O-ND2 3.5Å; A414-N440 VanDerWaalsContact O-CB 3.28Å; A414-N440 WeakPolarHBondContact O-CB 3.27Å; A414-N440 PolarHBondContact O-ND2 2.91Å; N440-E442 PolarHBondContact O-N 3.36Å; N440-K443 HydrophobicContact CB-CB 4.47Å; N440-K443 HydrophobicContact CB-CD 4.16Å; N440-K443 HydrophobicContact CB-CG 4.29Å; N440-K443 PolarHBondContact O-N 3.02Å | ||
| 441 | V | 73.6 | Confident | 85.4 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -55.3 | -24.5 | -173.3 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | P379 V438 C439 K443 W444 | P379-V441 HydrophobicContact CB-CB 3.93Å; P379-V441 HydrophobicContact CB-CG1 3.79Å; P379-V441 WeakPolarHBondContact O-CB 3.2Å; P379-V441 WeakPolarHBondContact O-CG1 3.46Å; V438-V441 HydrophobicContact CG2-CG1 4.47Å; C439-V441 PolarHBondContact O-N 3.41Å; V441-K443 VanDerWaalsContact C-N 3.33Å; V441-K443 PolarHBondContact O-N 3.12Å; V441-W444 PolarHBondContact O-N 3.02Å |
| 442 | E | 75.9 | Confident | 85.5 | Confident | 183 Ų | 183 | 58 Ų | 58 | 86% | 0.855 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -69.7 | -23.3 | 175.1 | -58.2 | 178.3 | -176.7 | 0 | 0 | 114.2 | N440 | N440-E442 PolarHBondContact O-N 3.36Š|
| 443 | K | 79.2 | Confident | 85.5 | Confident | 133 Ų | 133 | 57.4 Ų | 57.4 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -87.8 | -12.5 | 179.7 | -66 | -174.3 | 178.5 | 178.9 | 0 | 113.1 | H415 N440 V441 Q445 | H415-K443 PolarHBondContact NE2-O 3.48Å; N440-K443 HydrophobicContact CB-CB 4.47Å; N440-K443 HydrophobicContact CB-CD 4.16Å; N440-K443 HydrophobicContact CB-CG 4.29Å; N440-K443 PolarHBondContact O-N 3.02Å; V441-K443 VanDerWaalsContact C-N 3.33Å; V441-K443 PolarHBondContact O-N 3.12Å; K443-Q445 PolarHBondContact O-N 3.03Å |
| 444 | W | 79.8 | Confident | 85.4 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 120.6 | 179.6 | -83.2 | 67.1 | 0 | 0 | 0 | 111.4 | V377 P379 A410 H415 V438 C439 V441 F450 I476 Y478 | V377-W444 HydrophobicContact CG1-CH2 4.31Å; V377-W444 HydrophobicContact CG1-CZ3 4.25Å; P379-W444 HydrophobicContact CB-CB 4.37Å; P379-W444 HydrophobicContact CB-CD2 4.2Å; P379-W444 HydrophobicContact CB-CG 4.14Å; P379-W444 HydrophobicContact CG-CB 3.68Å; P379-W444 HydrophobicContact CG-CD2 3.97Å; P379-W444 HydrophobicContact CG-CE3 4.04Å; P379-W444 HydrophobicContact CG-CG 3.86Å; A410-W444 HydrophobicContact CB-CH2 4.48Å; A410-W444 HydrophobicContact CB-CZ2 4.44Å; H415-W444 VanDerWaalsContact C-NE1 3.29Å; H415-W444 HydrophobicContact CB-CD2 4.46Å; H415-W444 HydrophobicContact CB-CZ2 4.04Å; H415-W444 VanDerWaalsContact CB-NE1 3.26Å; H415-W444 AromaticContact CD2-CD1 3.61Å; H415-W444 AromaticContact CD2-NE1 3.95Å; H415-W444 VanDerWaalsContact O-CE2 3.27Å; H415-W444 WeakPolarHBondContact O-CZ2 3.33Å; H415-W444 PolarHBondContact O-NE1 3.06Å; V438-W444 HydrophobicContact CB-CZ2 3.98Å; V438-W444 HydrophobicContact CG1-CH2 3.96Å; V438-W444 HydrophobicContact CG1-CZ2 3.59Å; C439-W444 PolarHBondContact O-NE1 3.48Å; V441-W444 PolarHBondContact O-N 3.02Å; W444-F450 AromaticContact CH2-CD1 3.64Å; W444-F450 HydrophobicContact CH2-CD1 3.64Å; W444-F450 AromaticContact CH2-CE1 3.52Å; W444-F450 HydrophobicContact CH2-CE1 3.52Å; W444-F450 AromaticContact CZ2-CD1 3.95Å; W444-F450 HydrophobicContact CZ2-CD1 3.95Å; W444-F450 AromaticContact CZ2-CE1 3.76Å; W444-F450 HydrophobicContact CZ2-CE1 3.76Å; W444-I476 HydrophobicContact CH2-CG2 4.48Å; W444-Y478 HydrophobicContact CB-CD1 4.22Å; W444-Y478 HydrophobicContact CE3-CG 4.48Å |
| 445 | Q | 80.6 | Confident | 85.1 | Confident | 138 Ų | 138 | 52.4 Ų | 52.4 | 65% | 0.645 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -93.9 | 152.3 | 169.4 | -56.1 | 177 | -34.6 | 0 | 0 | 110 | K443 M448 Y478 | K443-Q445 PolarHBondContact O-N 3.03Å; Q445-M448 HydrophobicContact CB-CG 3.89Å; Q445-M448 HydrophobicContact CB-SD 3.61Å; Q445-M448 HydrophobicContact CG-SD 3.95Å; Q445-M448 PolarHBondContact N-SD 3.25Å; Q445-M448 WeakPolarHBondContact O-CB 3.46Å; Q445-M448 VanDerWaalsContact O-CG 3.25Å; Q445-M448 WeakPolarHBondContact O-CG 3.3Å; Q445-M448 PolarHBondContact O-N 3.27Å; Q445-M448 VanDerWaalsContact O-N 3.14Å; Q445-Y478 VanDerWaalsContact C-CD1 3.48Å; Q445-Y478 WeakPolarHBondContact O-CD1 3.43Å |
| 446 | Q | 78.2 | Confident | 84.6 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 150.3 | 172.8 | -66.5 | -178.8 | -2.2 | 0 | 0 | 110.1 | M448 Y478 S481 | Q446-M448 PolarHBondContact O-N 2.93Å; Q446-M448 VanDerWaalsContact O-N 3.13Å; Q446-Y478 HydrophobicContact CG-CD1 4.08Å; Q446-Y478 HydrophobicContact CG-CE1 3.71Å; Q446-Y478 HydrophobicContact CG-CE2 4.34Å; Q446-S481 VanDerWaalsContact NE2-CB 3.34Å; Q446-S481 PolarHBondContact NE2-OG 2.77Å; Q446-S481 PolarHBondContact OE1-OG 3.37Å |
| 447 | Q | 78.4 | Confident | 83.8 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -4.2 | -171.8 | -57.1 | -70 | -14 | 0 | 0 | 115.4 | Y478 E480 | Q447-Y478 PolarHBondContact N-O 3.33Å; Q447-E480 HydrophobicContact CG-CB 4.38Å; Q447-E480 VanDerWaalsContact NE2-CB 3.29Å; Q447-E480 PolarHBondContact NE2-OE2 3.37Å |
| 448 | M | 86 | Confident | 82.6 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | trans | -68.7 | 140.1 | 168.7 | -64.2 | -174.9 | 82.2 | 0 | 0 | 110.6 | T409 A410 H415 Q445 Q446 I477 Y478 | T409-M448 WeakPolarHBondContact O-CE 3.31Å; T409-M448 WeakPolarHBondContact OG1-CA 3.29Å; A410-M448 HydrophobicContact CB-CB 4.46Å; H415-M448 WeakPolarHBondContact NE2-CE 3.46Å; Q445-M448 HydrophobicContact CB-CG 3.89Å; Q445-M448 HydrophobicContact CB-SD 3.61Å; Q445-M448 HydrophobicContact CG-SD 3.95Å; Q445-M448 PolarHBondContact N-SD 3.25Å; Q445-M448 WeakPolarHBondContact O-CB 3.46Å; Q445-M448 VanDerWaalsContact O-CG 3.25Å; Q445-M448 WeakPolarHBondContact O-CG 3.3Å; Q445-M448 PolarHBondContact O-N 3.27Å; Q445-M448 VanDerWaalsContact O-N 3.14Å; Q446-M448 PolarHBondContact O-N 2.93Å; Q446-M448 VanDerWaalsContact O-N 3.13Å; M448-I477 WeakPolarHBondContact O-CA 3.46Å; M448-Y478 PolarHBondContact O-N 3.27Å | ||
| 449 | G | 86.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 159.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G408 T409 A410 I476 | G408-G449 CarbonylContact C-O 3.48Å; G408-G449 WeakPolarHBondContact CA-O 3.45Å; T409-G449 PolarHBondContact N-O 3.41Å; T409-G449 PolarHBondContact OG1-N 3.5Å; T409-G449 PolarHBondContact OG1-O 2.64Å; A410-G449 PolarHBondContact N-O 3.4Å; G449-I476 CarbonylContact C-O 3.43Å; G449-I476 WeakPolarHBondContact CA-O 3.25Å |
| 450 | F | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 170.3 | 175.6 | 68.8 | -88.2 | 0 | 0 | 0 | 109.3 | T405 A410 F416 V436 V438 W444 V452 K475 I476 | T405-F450 HydrophobicContact CG2-CE2 4.22Å; A410-F450 HydrophobicContact CB-CB 4.04Å; A410-F450 HydrophobicContact CB-CD1 4.15Å; F416-F450 HydrophobicContact CB-CD1 4.08Å; F416-F450 HydrophobicContact CB-CE1 3.69Å; F416-F450 HydrophobicContact CB-CE2 4.26Å; F416-F450 HydrophobicContact CB-CZ 3.79Å; F416-F450 HydrophobicContact CD1-CB 3.73Å; F416-F450 AromaticContact CD1-CD1 3.56Å; F416-F450 HydrophobicContact CD1-CD1 3.56Å; F416-F450 AromaticContact CD1-CD2 3.92Å; F416-F450 HydrophobicContact CD1-CD2 3.92Å; F416-F450 HydrophobicContact CD1-CE1 4.08Å; F416-F450 HydrophobicContact CD1-CE2 4.41Å; F416-F450 AromaticContact CD1-CG 3.46Å; F416-F450 HydrophobicContact CD1-CG 3.46Å; F416-F450 VanDerWaalsContact CD1-CG 3.46Å; F416-F450 HydrophobicContact CD1-CZ 4.48Å; F416-F450 HydrophobicContact CD2-CD2 4.05Å; F416-F450 HydrophobicContact CD2-CE2 4.07Å; F416-F450 HydrophobicContact CD2-CG 4.42Å; F416-F450 HydrophobicContact CD2-CZ 4.44Å; F416-F450 HydrophobicContact CE1-CB 3.47Å; F416-F450 VanDerWaalsContact CE1-CB 3.47Å; F416-F450 HydrophobicContact CE1-CD1 4.23Å; F416-F450 HydrophobicContact CE1-CD2 4.07Å; F416-F450 AromaticContact CE1-CG 3.68Å; F416-F450 HydrophobicContact CE1-CG 3.68Å; F416-F450 HydrophobicContact CE2-CD2 4.22Å; F416-F450 AromaticContact CG-CD1 3.9Å; F416-F450 HydrophobicContact CG-CD1 3.9Å; F416-F450 AromaticContact CG-CD2 3.91Å; F416-F450 HydrophobicContact CG-CD2 3.91Å; F416-F450 AromaticContact CG-CE1 3.95Å; F416-F450 HydrophobicContact CG-CE1 3.95Å; F416-F450 AromaticContact CG-CE2 3.98Å; F416-F450 HydrophobicContact CG-CE2 3.98Å; F416-F450 AromaticContact CG-CG 3.87Å; F416-F450 HydrophobicContact CG-CG 3.87Å; F416-F450 AromaticContact CG-CZ 3.99Å; F416-F450 HydrophobicContact CG-CZ 3.99Å; F416-F450 HydrophobicContact CZ-CB 4.12Å; F416-F450 HydrophobicContact CZ-CD2 4.21Å; F416-F450 HydrophobicContact CZ-CG 4.27Å; V436-F450 HydrophobicContact CG1-CE2 3.81Å; V436-F450 HydrophobicContact CG1-CZ 3.76Å; V438-F450 HydrophobicContact CG1-CE1 4.06Å; V438-F450 HydrophobicContact CG1-CZ 4.42Å; W444-F450 AromaticContact CH2-CD1 3.64Å; W444-F450 HydrophobicContact CH2-CD1 3.64Å; W444-F450 AromaticContact CH2-CE1 3.52Å; W444-F450 HydrophobicContact CH2-CE1 3.52Å; W444-F450 AromaticContact CZ2-CD1 3.95Å; W444-F450 HydrophobicContact CZ2-CD1 3.95Å; W444-F450 AromaticContact CZ2-CE1 3.76Å; W444-F450 HydrophobicContact CZ2-CE1 3.76Å; F450-V452 HydrophobicContact CE2-CG2 4.14Å; F450-K475 WeakPolarHBondContact O-CA 3.14Å; F450-I476 HydrophobicContact CD1-CB 4.28Å; F450-I476 HydrophobicContact CD1-CG2 4.48Å; F450-I476 HydrophobicContact CE1-CB 3.89Å; F450-I476 HydrophobicContact CE1-CD1 4.21Å; F450-I476 HydrophobicContact CE1-CG2 3.81Å; F450-I476 HydrophobicContact CE2-CB 4.36Å; F450-I476 HydrophobicContact CE2-CD1 3.63Å; F450-I476 HydrophobicContact CE2-CG1 4.46Å; F450-I476 HydrophobicContact CZ-CB 3.94Å; F450-I476 HydrophobicContact CZ-CD1 3.39Å; F450-I476 HydrophobicContact CZ-CG1 4.24Å; F450-I476 HydrophobicContact CZ-CG2 4.09Å; F450-I476 PolarHBondContact N-O 3.33Å; F450-I476 PolarHBondContact O-N 3.03Å |
| 451 | W | 92.6 | Very high | 78.7 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 40% | 0.398 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 150.5 | -173.4 | -55.2 | 89.6 | 0 | 0 | 0 | 111.4 | T405 V406 T473 A474 K475 | T405-W451 CarbonylContact C-O 3.54Å; T405-W451 WeakPolarHBondContact CA-O 3.35Å; V406-W451 HydrophobicContact CB-CB 4.27Å; V406-W451 PolarHBondContact N-O 3.16Å; V406-W451 PolarHBondContact O-N 2.99Å; W451-T473 HydrophobicContact CB-CG2 4.17Å; W451-T473 HydrophobicContact CD2-CG2 4.43Å; W451-T473 HydrophobicContact CE3-CG2 3.77Å; W451-A474 CarbonylContact C-O 3.29Å; W451-A474 VanDerWaalsContact CA-O 3.31Å; W451-A474 WeakPolarHBondContact CA-O 3.36Å; W451-K475 HydrophobicContact CD2-CB 4.25Å; W451-K475 HydrophobicContact CD2-CG 4.24Å; W451-K475 HydrophobicContact CE3-CB 3.65Å; W451-K475 HydrophobicContact CE3-CG 4.12Å; W451-K475 HydrophobicContact CH2-CB 4.15Å; W451-K475 HydrophobicContact CH2-CD 3.95Å; W451-K475 HydrophobicContact CH2-CG 4.26Å; W451-K475 HydrophobicContact CZ2-CD 4.03Å; W451-K475 HydrophobicContact CZ2-CG 4.34Å; W451-K475 HydrophobicContact CZ3-CB 3.62Å; W451-K475 HydrophobicContact CZ3-CD 4.29Å; W451-K475 HydrophobicContact CZ3-CG 4.16Å |
| 452 | V | 92 | Very high | 77.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.9 | 167.4 | -169.2 | 0 | 0 | 0 | 0 | 106.7 | F370 L387 Y403 R404 I434 V436 F450 T473 A474 I476 | F370-V452 VanDerWaalsContact CE2-O 3.24Å; F370-V452 WeakPolarHBondContact CE2-O 3.42Å; F370-V452 HydrophobicContact CZ-CB 4.06Å; F370-V452 HydrophobicContact CZ-CG1 3.81Å; L387-V452 HydrophobicContact CD2-CB 3.99Å; L387-V452 HydrophobicContact CD2-CG1 4.4Å; L387-V452 HydrophobicContact CD2-CG2 3.88Å; Y403-V452 HydrophobicContact CD2-CG1 3.8Å; Y403-V452 HydrophobicContact CG-CG1 4.49Å; R404-V452 WeakPolarHBondContact O-CA 3.38Å; I434-V452 HydrophobicContact CD1-CG1 4.13Å; V436-V452 HydrophobicContact CG2-CG2 4.08Å; F450-V452 HydrophobicContact CE2-CG2 4.14Å; V452-T473 CarbonylContact O-C 3.59Å; V452-T473 WeakPolarHBondContact O-CA 3.28Å; V452-A474 PolarHBondContact N-O 2.93Å; V452-A474 PolarHBondContact O-N 3.01Å; V452-I476 HydrophobicContact CG2-CD1 3.72Å; V452-I476 HydrophobicContact CG2-CG1 4.36Å |
| 453 | K | 92 | Very high | 76.8 | Confident | 43 Ų | 43 | 64 Ų | 64 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.8 | -177.4 | -177.1 | 173.8 | 179.8 | 180 | 0 | 110 | Y403 R404 E455 T473 | Y403-K453 CarbonylContact C-O 3.34Å; Y403-K453 VanDerWaalsContact CA-O 3.24Å; Y403-K453 WeakPolarHBondContact CA-O 3.36Å; R404-K453 HydrophobicContact CG-CB 4.35Å; R404-K453 PolarHBondContact N-O 2.94Å; R404-K453 PolarHBondContact O-N 3.42Å; K453-E455 HydrophobicContact CG-CG 4.37Å; K453-T473 HydrophobicContact CB-CG2 4.46Å |
| 454 | L | 90.2 | Very high | 75.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 142.2 | 168.4 | -63.5 | 172.2 | 0 | 0 | 0 | 110 | F368 F370 V389 F401 T402 L468 S472 | F368-L454 HydrophobicContact CD2-CD1 4.13Å; F368-L454 HydrophobicContact CE2-CB 4.09Å; F368-L454 HydrophobicContact CE2-CD1 4.4Å; F370-L454 HydrophobicContact CD1-CD1 4.37Å; F370-L454 HydrophobicContact CD2-CD1 3.91Å; F370-L454 HydrophobicContact CD2-CG 4.08Å; F370-L454 HydrophobicContact CE1-CD1 4.31Å; F370-L454 HydrophobicContact CE1-CD2 3.99Å; F370-L454 HydrophobicContact CE1-CG 4.11Å; F370-L454 HydrophobicContact CE2-CD1 3.87Å; F370-L454 HydrophobicContact CE2-CD2 4.21Å; F370-L454 HydrophobicContact CE2-CG 3.51Å; F370-L454 HydrophobicContact CG-CD1 4.17Å; F370-L454 HydrophobicContact CZ-CD1 4.07Å; F370-L454 HydrophobicContact CZ-CD2 3.68Å; F370-L454 HydrophobicContact CZ-CG 3.52Å; V389-L454 HydrophobicContact CG1-CD1 4.06Å; V389-L454 HydrophobicContact CG1-CD2 4.44Å; V389-L454 HydrophobicContact CG2-CD2 4.08Å; F401-L454 HydrophobicContact CD2-CD2 3.69Å; F401-L454 HydrophobicContact CE2-CD2 3.77Å; T402-L454 CarbonylContact O-C 3.55Å; L454-L468 HydrophobicContact CB-CD2 3.41Å; L454-L468 VanDerWaalsContact CB-CD2 3.41Å; L454-L468 WeakPolarHBondContact O-CD2 3.49Å; L454-S472 WeakPolarHBondContact CB-O 3.49Å; L454-S472 PolarHBondContact N-O 3.23Å |
| 455 | E | 86.1 | Confident | 74.9 | Confident | 54 Ų | 54 | 69.6 Ų | 69.6 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.9 | 178.3 | -60.5 | -172.6 | 152.5 | 0 | 0 | 108.7 | T402 R404 K453 G457 | T402-E455 PolarHBondContact N-O 3.35Å; T402-E455 PolarHBondContact O-N 2.93Å; R404-E455 IonicContact CZ-OE1 3.8Å; R404-E455 IonicContact NE-OE1 3.51Å; R404-E455 PolarHBondContact NE-OE1 3.31Å; R404-E455 IonicContact NE-OE2 2.79Å; R404-E455 PolarHBondContact NE-OE2 3.33Å; R404-E455 IonicContact NH2-OE1 3.77Å; R404-E455 PolarHBondContact NH2-OE1 3.15Å; K453-E455 HydrophobicContact CG-CG 4.37Å; E455-G457 PolarHBondContact O-N 3.47Å |
| 456 | L | 82.4 | Confident | 74.4 | Confident | 48 Ų | 48 | 64 Ų | 64 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 137.6 | 174.2 | -69.7 | 165.2 | 0 | 0 | 0 | 108.9 | F368 T460 E461 T466 L468 | F368-L456 HydrophobicContact CE1-CD2 3.72Å; F368-L456 HydrophobicContact CZ-CD2 3.95Å; L456-T460 HydrophobicContact CD2-CG2 4.03Å; L456-E461 HydrophobicContact CB-CG 4.16Å; L456-T466 HydrophobicContact CD2-CG2 4.13Å; L456-L468 HydrophobicContact CG-CD1 4.13Å; L456-L468 HydrophobicContact CG-CG 4.43Å |
| 457 | G | 74.9 | Confident | 74 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 153.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | V400 E455 N459 T460 | V400-G457 PolarHBondContact O-N 3.45Å; E455-G457 PolarHBondContact O-N 3.47Å; G457-N459 PolarHBondContact O-N 2.93Å; G457-T460 WeakPolarHBondContact O-CB 3.32Å; G457-T460 PolarHBondContact O-N 2.81Å; G457-T460 PolarHBondContact O-OG1 3.38Å |
| 458 | P | 62.6 | Low | 73.9 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129.3 | 166.9 | 24.8 | -31.1 | 0 | 0 | 0 | 108.4 | ||
| 459 | N | 59.9 | Low | 73.2 | Confident | 147 Ų | 147 | 56.6 Ų | 56.6 | 79% | 0.786 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -8.7 | -168.5 | -47.3 | -22.9 | 0 | 0 | 0 | 116.8 | G457 | G457-N459 PolarHBondContact O-N 2.93Š|
| 460 | T | 58.3 | Low | 72.3 | Confident | 12 Ų | 12 | 61 Ų | 61 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -19.5 | 176.8 | -43.1 | 0 | 0 | 0 | 0 | 111.8 | L399 V400 L456 G457 E462 D463 T466 | L399-T460 HydrophobicContact CD1-CG2 4.5Å; V400-T460 PolarHBondContact O-OG1 2.97Å; L456-T460 HydrophobicContact CD2-CG2 4.03Å; G457-T460 WeakPolarHBondContact O-CB 3.32Å; G457-T460 PolarHBondContact O-N 2.81Å; G457-T460 PolarHBondContact O-OG1 3.38Å; T460-E462 PolarHBondContact O-N 2.77Å; T460-D463 PolarHBondContact O-N 2.65Å; T460-T466 HydrophobicContact CG2-CG2 3.52Å |
| 461 | E | 53.1 | Low | 71.5 | Confident | 157 Ų | 157 | 61.1 Ų | 61.1 | 73% | 0.734 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.6 | 174.9 | -68.1 | -171.8 | 156.3 | 0 | 0 | 113.6 | L456 | L456-E461 HydrophobicContact CB-CG 4.16Š|
| 462 | E | 50.4 | Low | 71.1 | Confident | 180 Ų | 180 | 56.6 Ų | 56.6 | 84% | 0.841 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -18.3 | 175.7 | -68.4 | -176.4 | 165.8 | 0 | 0 | 113.6 | T460 D464 | T460-E462 PolarHBondContact O-N 2.77Å; E462-D464 PolarHBondContact O-N 3.28Å |
| 463 | D | 58 | Low | 70.8 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | trans | -94.6 | 94.8 | 175.6 | -160.1 | -5 | 0 | 0 | 0 | 109.1 | K397 T460 R465 T466 | K397-D463 IonicContact NZ-OD2 3.79Å; K397-D463 PolarHBondContact NZ-OD2 3.25Å; T460-D463 PolarHBondContact O-N 2.65Å; D463-R465 PolarHBondContact O-N 3.26Å; D463-R465 WeakPolarHBondContact OD1-CB 3.22Å; D463-R465 WeakPolarHBondContact OD1-CD 3.18Å; D463-R465 WeakPolarHBondContact OD1-CG 3.48Å; D463-R465 IonicContact OD1-NE 3.2Å; D463-R465 PolarHBondContact OD1-NE 2.9Å; D463-T466 PolarHBondContact O-N 3.5Å; D463-T466 VanDerWaalsContact O-N 3.1Å | ||
| 464 | D | 56.3 | Low | 70.6 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 73% | 0.733 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -7.3 | 174.6 | -92.6 | -22.1 | 0 | 0 | 0 | 114.4 | E462 | E462-D464 PolarHBondContact O-N 3.28Š|
| 465 | R | 64.5 | Low | 70.5 | Confident | 125 Ų | 125 | 59.4 Ų | 59.4 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -3.2 | -179 | -54.5 | 178.8 | -153.2 | -159.9 | 3.2 | 114.3 | V365 S366 D463 | V365-R465 CarbonylContact C-O 3.57Å; V365-R465 WeakPolarHBondContact CA-O 3.24Å; V365-R465 VanDerWaalsContact CG1-O 3.26Å; V365-R465 WeakPolarHBondContact CG1-O 3.46Å; S366-R465 PolarHBondContact N-O 2.98Å; D463-R465 PolarHBondContact O-N 3.26Å; D463-R465 WeakPolarHBondContact OD1-CB 3.22Å; D463-R465 WeakPolarHBondContact OD1-CD 3.18Å; D463-R465 WeakPolarHBondContact OD1-CG 3.48Å; D463-R465 IonicContact OD1-NE 3.2Å; D463-R465 PolarHBondContact OD1-NE 2.9Å |
| 466 | T | 69.8 | Low | 70.7 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.6 | -178.9 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | S366 F368 L399 L456 T460 D463 | S366-T466 VanDerWaalsContact O-CA 3.29Å; S366-T466 WeakPolarHBondContact O-CA 3.5Å; F368-T466 HydrophobicContact CD1-CG2 4.04Å; F368-T466 HydrophobicContact CE1-CG2 3.83Å; L399-T466 HydrophobicContact CD1-CG2 3.26Å; L456-T466 HydrophobicContact CD2-CG2 4.13Å; T460-T466 HydrophobicContact CG2-CG2 3.52Å; D463-T466 PolarHBondContact O-N 3.5Å; D463-T466 VanDerWaalsContact O-N 3.1Å |
| 467 | T | 69.8 | Low | 70.9 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.7 | -178.6 | 58 | 0 | 0 | 0 | 0 | 112.2 | V365 S366 N367 F368 | V365-T467 HydrophobicContact CG1-CG2 3.92Å; S366-T467 PolarHBondContact O-N 2.95Å; N367-T467 WeakPolarHBondContact CA-O 3.29Å; F368-T467 WeakPolarHBondContact CD1-O 3.36Å; F368-T467 PolarHBondContact N-O 3.27Å; F368-T467 VanDerWaalsContact N-O 3.11Å |
| 468 | L | 76.7 | Confident | 71.3 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.5 | 167.5 | -68.9 | 139.8 | 0 | 0 | 0 | 108.5 | T350 A352 F368 L454 L456 | T350-L468 HydrophobicContact CG2-CD1 4.22Å; T350-L468 WeakPolarHBondContact O-CB 3.4Å; A352-L468 WeakPolarHBondContact CA-O 3.3Å; A352-L468 VanDerWaalsContact CB-O 3.27Å; A352-L468 WeakPolarHBondContact CB-O 3.44Å; F368-L468 HydrophobicContact CD2-CD2 4.34Å; F368-L468 HydrophobicContact CE1-CD2 4.43Å; F368-L468 HydrophobicContact CE1-CG 4.35Å; F368-L468 HydrophobicContact CE2-CD2 3.47Å; F368-L468 VanDerWaalsContact CE2-CD2 3.47Å; F368-L468 HydrophobicContact CE2-CG 4.25Å; F368-L468 HydrophobicContact CZ-CD2 3.53Å; F368-L468 HydrophobicContact CZ-CG 3.82Å; L454-L468 HydrophobicContact CB-CD2 3.41Å; L454-L468 VanDerWaalsContact CB-CD2 3.41Å; L454-L468 WeakPolarHBondContact O-CD2 3.49Å; L456-L468 HydrophobicContact CG-CD1 4.13Å; L456-L468 HydrophobicContact CG-CG 4.43Å |
| 469 | G | 69.4 | Low | 71.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -77 | -179.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F368 A471 S472 | F368-G469 PolarHBondContact O-N 2.78Å; G469-A471 VanDerWaalsContact C-N 3.29Å; G469-A471 PolarHBondContact O-N 3.38Å; G469-S472 WeakPolarHBondContact O-CB 3.22Å; G469-S472 PolarHBondContact O-N 3.45Å | ||
| 470 | L | 68.6 | Low | 72.3 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 49% | 0.492 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -37.4 | -176.3 | -67.8 | 169.1 | 0 | 0 | 0 | 111.5 | A352 L353 E369 S472 | A352-L470 HydrophobicContact CB-CD2 4.18Å; L353-L470 HydrophobicContact CD1-CD2 4Å; E369-L470 PolarHBondContact OE2-N 3.12Å; E369-L470 VanDerWaalsContact OE2-N 3.14Å; L470-S472 PolarHBondContact O-N 3.09Å; L470-S472 VanDerWaalsContact O-N 3.1Å |
| 471 | A | 75.1 | Confident | 72.4 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 49.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E369 F370 T373 G469 T473 | E369-A471 HydrophobicContact CB-CB 4.01Å; E369-A471 HydrophobicContact CG-CB 4.41Å; E369-A471 PolarHBondContact OE2-N 3.16Å; F370-A471 HydrophobicContact CB-CB 4.46Å; F370-A471 WeakPolarHBondContact CB-O 3.27Å; F370-A471 VanDerWaalsContact CD2-O 3.25Å; F370-A471 WeakPolarHBondContact CD2-O 3.3Å; F370-A471 PolarHBondContact N-O 2.96Å; F370-A471 WeakPolarHBondContact O-CB 3.14Å; T373-A471 HydrophobicContact CG2-CB 3.76Å; G469-A471 VanDerWaalsContact C-N 3.29Å; G469-A471 PolarHBondContact O-N 3.38Å; A471-T473 VanDerWaalsContact C-N 3.26Å; A471-T473 PolarHBondContact O-N 3.02Å |
| 472 | S | 83.6 | Confident | 72.5 | Confident | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | trans | -74.5 | -13.9 | 179.4 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | L454 G469 L470 | L454-S472 WeakPolarHBondContact CB-O 3.49Å; L454-S472 PolarHBondContact N-O 3.23Å; G469-S472 WeakPolarHBondContact O-CB 3.22Å; G469-S472 PolarHBondContact O-N 3.45Å; L470-S472 PolarHBondContact O-N 3.09Å; L470-S472 VanDerWaalsContact O-N 3.1Å | ||
| 473 | T | 86 | Confident | 72.7 | Confident | 47 Ų | 47 | 48.9 Ų | 48.9 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.3 | 178.6 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | W451 V452 K453 A471 | W451-T473 HydrophobicContact CB-CG2 4.17Å; W451-T473 HydrophobicContact CD2-CG2 4.43Å; W451-T473 HydrophobicContact CE3-CG2 3.77Å; V452-T473 CarbonylContact O-C 3.59Å; V452-T473 WeakPolarHBondContact O-CA 3.28Å; K453-T473 HydrophobicContact CB-CG2 4.46Å; A471-T473 VanDerWaalsContact C-N 3.26Å; A471-T473 PolarHBondContact O-N 3.02Å |
| 474 | A | 87.1 | Confident | 73 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | F370 T373 Y375 L387 W451 V452 | F370-A474 HydrophobicContact CB-CB 4.27Å; F370-A474 HydrophobicContact CD1-CB 4.22Å; F370-A474 HydrophobicContact CD2-CB 3.44Å; F370-A474 VanDerWaalsContact CD2-CB 3.44Å; F370-A474 HydrophobicContact CE1-CB 4.46Å; F370-A474 HydrophobicContact CE2-CB 3.7Å; F370-A474 HydrophobicContact CG-CB 3.72Å; F370-A474 HydrophobicContact CZ-CB 4.22Å; T373-A474 CarbonylContact O-C 3.57Å; T373-A474 VanDerWaalsContact O-CA 3.26Å; T373-A474 WeakPolarHBondContact O-CA 3.08Å; Y375-A474 HydrophobicContact CD2-CB 3.94Å; Y375-A474 HydrophobicContact CE2-CB 3.7Å; L387-A474 HydrophobicContact CD2-CB 3.8Å; W451-A474 CarbonylContact C-O 3.29Å; W451-A474 VanDerWaalsContact CA-O 3.31Å; W451-A474 WeakPolarHBondContact CA-O 3.36Å; V452-A474 PolarHBondContact N-O 2.93Å; V452-A474 PolarHBondContact O-N 3.01Å |
| 475 | K | 89 | Confident | 73.7 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.7 | 172.4 | -166.8 | 179.5 | 177.5 | -174.6 | 0 | 109.4 | T373 I374 Y375 F450 W451 | T373-K475 PolarHBondContact O-N 3.38Å; I374-K475 CarbonylContact C-O 3.5Å; I374-K475 WeakPolarHBondContact CA-O 3.17Å; Y375-K475 PolarHBondContact N-O 2.95Å; F450-K475 WeakPolarHBondContact O-CA 3.14Å; W451-K475 HydrophobicContact CD2-CB 4.25Å; W451-K475 HydrophobicContact CD2-CG 4.24Å; W451-K475 HydrophobicContact CE3-CB 3.65Å; W451-K475 HydrophobicContact CE3-CG 4.12Å; W451-K475 HydrophobicContact CH2-CB 4.15Å; W451-K475 HydrophobicContact CH2-CD 3.95Å; W451-K475 HydrophobicContact CH2-CG 4.26Å; W451-K475 HydrophobicContact CZ2-CD 4.03Å; W451-K475 HydrophobicContact CZ2-CG 4.34Å; W451-K475 HydrophobicContact CZ3-CB 3.62Å; W451-K475 HydrophobicContact CZ3-CD 4.29Å; W451-K475 HydrophobicContact CZ3-CG 4.16Å |
| 476 | I | 89.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.5 | 165.7 | -64.3 | 169.1 | 0 | 0 | 0 | 107.1 | Y375 V377 V385 L387 V436 W444 G449 F450 V452 | Y375-I476 CarbonylContact O-C 3.52Å; Y375-I476 VanDerWaalsContact O-CA 3.31Å; Y375-I476 WeakPolarHBondContact O-CA 3.29Å; V377-I476 HydrophobicContact CB-CG2 4.37Å; V377-I476 HydrophobicContact CG1-CG2 3.55Å; V385-I476 HydrophobicContact CB-CD1 4.15Å; V385-I476 HydrophobicContact CG1-CD1 3.96Å; V385-I476 HydrophobicContact CG1-CG1 4.19Å; V385-I476 HydrophobicContact CG1-CG2 4.42Å; V385-I476 HydrophobicContact CG2-CG2 4.19Å; L387-I476 HydrophobicContact CD1-CD1 4.1Å; L387-I476 HydrophobicContact CD2-CD1 4.44Å; V436-I476 HydrophobicContact CB-CD1 4.33Å; W444-I476 HydrophobicContact CH2-CG2 4.48Å; G449-I476 CarbonylContact C-O 3.43Å; G449-I476 WeakPolarHBondContact CA-O 3.25Å; F450-I476 HydrophobicContact CD1-CB 4.28Å; F450-I476 HydrophobicContact CD1-CG2 4.48Å; F450-I476 HydrophobicContact CE1-CB 3.89Å; F450-I476 HydrophobicContact CE1-CD1 4.21Å; F450-I476 HydrophobicContact CE1-CG2 3.81Å; F450-I476 HydrophobicContact CE2-CB 4.36Å; F450-I476 HydrophobicContact CE2-CD1 3.63Å; F450-I476 HydrophobicContact CE2-CG1 4.46Å; F450-I476 HydrophobicContact CZ-CB 3.94Å; F450-I476 HydrophobicContact CZ-CD1 3.39Å; F450-I476 HydrophobicContact CZ-CG1 4.24Å; F450-I476 HydrophobicContact CZ-CG2 4.09Å; F450-I476 PolarHBondContact N-O 3.33Å; F450-I476 PolarHBondContact O-N 3.03Å; V452-I476 HydrophobicContact CG2-CD1 3.72Å; V452-I476 HydrophobicContact CG2-CG1 4.36Å |
| 477 | I | 86.9 | Confident | 75.4 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.4 | -176.4 | -167.8 | 169.7 | 0 | 0 | 0 | 111.1 | I374 Y375 A376 V377 M448 P479 I575 | I374-I477 HydrophobicContact CG2-CG2 3.96Å; Y375-I477 PolarHBondContact O-N 3.42Å; A376-I477 WeakPolarHBondContact CA-O 3.43Å; V377-I477 PolarHBondContact N-O 3.28Å; M448-I477 WeakPolarHBondContact O-CA 3.46Å; I477-P479 VanDerWaalsContact O-CD 3.3Å; I477-P479 WeakPolarHBondContact O-CD 3.46Å; I477-I575 HydrophobicContact CG2-CD1 3.51Å |
| 478 | Y | 84.1 | Confident | 76.4 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | trans | -88.6 | 104.9 | 162.8 | 178.5 | -157 | 0 | 0 | 0 | 108.8 | V377 P379 W444 Q445 Q446 Q447 M448 | V377-Y478 WeakPolarHBondContact O-CA 3.1Å; P379-Y478 HydrophobicContact CG-CD1 4.1Å; P379-Y478 HydrophobicContact CG-CD2 4.41Å; P379-Y478 HydrophobicContact CG-CE1 4.39Å; P379-Y478 HydrophobicContact CG-CG 4.14Å; W444-Y478 HydrophobicContact CB-CD1 4.22Å; W444-Y478 HydrophobicContact CE3-CG 4.48Å; Q445-Y478 VanDerWaalsContact C-CD1 3.48Å; Q445-Y478 WeakPolarHBondContact O-CD1 3.43Å; Q446-Y478 HydrophobicContact CG-CD1 4.08Å; Q446-Y478 HydrophobicContact CG-CE1 3.71Å; Q446-Y478 HydrophobicContact CG-CE2 4.34Å; Q447-Y478 PolarHBondContact N-O 3.33Å; M448-Y478 PolarHBondContact O-N 3.27Å | ||
| 479 | P | 73.9 | Confident | 77.1 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | trans | -66.4 | 157.4 | -173.7 | 27.9 | -37.9 | 0 | 0 | 0 | 112.8 | A376 I477 L540 | A376-P479 HydrophobicContact CB-CG 3.94Å; I477-P479 VanDerWaalsContact O-CD 3.3Å; I477-P479 WeakPolarHBondContact O-CD 3.46Å; P479-L540 HydrophobicContact CG-CD1 4.29Å | ||
| 480 | E | 68.4 | Low | 77.7 | Confident | 102 Ų | 102 | 44.8 Ų | 44.8 | 48% | 0.477 | 25% | 0.245 | S | C | . | . | trans | -76.4 | 142.4 | 173.2 | -174.9 | 168 | -165 | 0 | 0 | 111.6 | Q447 S482 | Q447-E480 HydrophobicContact CG-CB 4.38Å; Q447-E480 VanDerWaalsContact NE2-CB 3.29Å; Q447-E480 PolarHBondContact NE2-OE2 3.37Å; E480-S482 VanDerWaalsContact C-N 3.33Å; E480-S482 PolarHBondContact O-N 3.32Å | ||
| 481 | S | 60.9 | Low | 78.5 | Confident | 81 Ų | 81 | 45 Ų | 45 | 57% | 0.566 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -86.4 | 26.3 | -166.2 | 53.9 | 0 | 0 | 0 | 0 | 115.9 | Q446 | Q446-S481 VanDerWaalsContact NE2-CB 3.34Å; Q446-S481 PolarHBondContact NE2-OG 2.77Å; Q446-S481 PolarHBondContact OE1-OG 3.37Å |
| 482 | S | 55.2 | Low | 79.1 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | trans | -132 | 132.9 | -174.4 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | E480 | E480-S482 VanDerWaalsContact C-N 3.33Å; E480-S482 PolarHBondContact O-N 3.32Å | ||
| 483 | N | 54.8 | Low | 79.3 | Confident | 136 Ų | 136 | 56.9 Ų | 56.9 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 106.3 | 142 | 175.6 | -59 | -18.1 | 0 | 0 | 0 | 115.2 | G511 L512 | N483-G511 WeakPolarHBondContact O-CA 3.22Å; N483-L512 PolarHBondContact O-N 3.33Å; N483-L512 VanDerWaalsContact O-N 3.16Å |
| 484 | E | 63.9 | Low | 79.3 | Confident | 145 Ų | 145 | 56.4 Ų | 56.4 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | B | Isolated β-bridge | trans | -56.3 | 145.7 | 175.3 | -67.4 | 179.1 | 165.8 | 0 | 0 | 111.3 | S486 | E484-S486 PolarHBondContact O-N 3.43Å; E484-S486 VanDerWaalsContact O-N 3.16Å |
| 485 | M | 71.5 | Confident | 79.2 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | trans | -65.8 | 117.5 | -178.6 | -165.2 | -177.2 | 81.8 | 0 | 0 | 111 | R509 H510 L512 I513 C544 A604 G605 S606 | M485-R509 HydrophobicContact CG-CG 3.95Å; M485-R509 HydrophobicContact SD-CG 4.2Å; M485-H510 CarbonylContact C-O 3.52Å; M485-H510 WeakPolarHBondContact CA-O 3.39Å; M485-L512 PolarHBondContact N-O 2.82Å; M485-I513 HydrophobicContact CB-CG1 4.34Å; M485-I513 HydrophobicContact CE-CG1 4.4Å; M485-I513 HydrophobicContact SD-CD1 4.38Å; M485-I513 HydrophobicContact SD-CG1 3.79Å; M485-C544 HydrophobicContact CE-CB 4.03Å; M485-A604 HydrophobicContact CE-CB 3.85Å; M485-A604 WeakPolarHBondContact CE-O 3.36Å; M485-G605 WeakPolarHBondContact O-CA 3.45Å; M485-S606 PolarHBondContact O-N 3.39Å; M485-S606 PolarHBondContact O-OG 3.31Å | ||
| 486 | S | 82.5 | Confident | 78.9 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.6 | 176.3 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | E484 R509 H510 S606 | E484-S486 PolarHBondContact O-N 3.43Å; E484-S486 VanDerWaalsContact O-N 3.16Å; S486-R509 CarbonylContact O-C 3.59Å; S486-R509 WeakPolarHBondContact O-CA 3.05Å; S486-H510 PolarHBondContact N-O 2.95Å; S486-H510 PolarHBondContact O-N 3.45Å; S486-S606 CarbonylContact C-O 3.59Å; S486-S606 VanDerWaalsContact CA-O 3.23Å; S486-S606 WeakPolarHBondContact CA-O 3.02Å; S486-S606 WeakPolarHBondContact CB-OG 3.31Å |
| 487 | I | 87.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.3 | 176.8 | -60.7 | 173.6 | 0 | 0 | 0 | 109.7 | L507 V508 R509 C544 V546 L570 L599 C602 S606 I607 G608 | I487-L507 HydrophobicContact CG2-CB 4.47Å; I487-L507 HydrophobicContact CG2-CD2 4.26Å; I487-V508 WeakPolarHBondContact CA-O 3.34Å; I487-R509 HydrophobicContact CG1-CB 4.27Å; I487-R509 HydrophobicContact CG1-CG 4.18Å; I487-C544 HydrophobicContact CD1-CB 4.37Å; I487-C544 WeakPolarHBondContact CD1-SG 3.41Å; I487-V546 HydrophobicContact CD1-CG2 3.33Å; I487-V546 HydrophobicContact CG2-CG2 4.12Å; I487-L570 HydrophobicContact CD1-CD2 4.47Å; I487-L599 HydrophobicContact CG2-CD1 4.49Å; I487-C602 HydrophobicContact CD1-CB 4.33Å; I487-C602 WeakPolarHBondContact CD1-SG 3.49Å; I487-S606 PolarHBondContact N-O 3.12Å; I487-I607 CarbonylContact O-C 3.57Å; I487-I607 WeakPolarHBondContact O-CA 3.32Å; I487-G608 PolarHBondContact O-N 3.49Å |
| 488 | Q | 89.7 | Confident | 77.4 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 162 | -177.7 | 63.9 | -179.9 | 25 | 0 | 0 | 111.8 | L507 V508 H510 S609 N610 | Q488-L507 WeakPolarHBondContact O-CA 3.16Å; Q488-V508 PolarHBondContact N-O 3.16Å; Q488-V508 VanDerWaalsContact N-O 3.11Å; Q488-V508 PolarHBondContact O-N 2.91Å; Q488-H510 PolarHBondContact NE2-CE1 3.37Å; Q488-S609 VanDerWaalsContact OE1-N 3.12Å; Q488-S609 PolarHBondContact OE1-OG 3.48Å; Q488-N610 HydrophobicContact CB-CB 4.06Å |
| 489 | F | 91.4 | Very high | 76.5 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 147.9 | 170.3 | -65.8 | -60.6 | 0 | 0 | 0 | 111.5 | H491 I505 P506 L507 I579 V597 L599 N610 R611 V613 | F489-H491 WeakPolarHBondContact CB-O 3.39Å; F489-I505 HydrophobicContact CD1-CG2 3.4Å; F489-I505 VanDerWaalsContact CD1-CG2 3.4Å; F489-I505 HydrophobicContact CE1-CG2 3.4Å; F489-I505 HydrophobicContact CG-CG2 4.4Å; F489-I505 HydrophobicContact CZ-CG2 4.38Å; F489-P506 WeakPolarHBondContact CA-O 3Å; F489-L507 HydrophobicContact CD1-CD2 4.29Å; F489-L507 HydrophobicContact CD1-CG 3.9Å; F489-L507 HydrophobicContact CE1-CD1 4.38Å; F489-L507 HydrophobicContact CE1-CD2 4Å; F489-L507 HydrophobicContact CE1-CG 3.92Å; F489-I579 HydrophobicContact CE1-CD1 4.2Å; F489-V597 VanDerWaalsContact CE2-O 3.3Å; F489-V597 WeakPolarHBondContact CE2-O 3.48Å; F489-V597 HydrophobicContact CZ-CB 4.28Å; F489-V597 HydrophobicContact CZ-CG1 4.02Å; F489-L599 HydrophobicContact CD2-CD1 4.4Å; F489-L599 HydrophobicContact CD2-CG 4.31Å; F489-L599 HydrophobicContact CE1-CD2 3.93Å; F489-L599 HydrophobicContact CE1-CG 4.41Å; F489-L599 HydrophobicContact CE2-CD1 4.27Å; F489-L599 HydrophobicContact CE2-CD2 3.99Å; F489-L599 HydrophobicContact CE2-CG 3.71Å; F489-L599 HydrophobicContact CZ-CD1 4.44Å; F489-L599 HydrophobicContact CZ-CD2 3.49Å; F489-L599 VanDerWaalsContact CZ-CD2 3.49Å; F489-L599 HydrophobicContact CZ-CG 3.76Å; F489-N610 PolarHBondContact N-O 2.98Å; F489-N610 WeakPolarHBondContact O-CB 3.11Å; F489-N610 PolarHBondContact O-ND2 3.18Å; F489-R611 VanDerWaalsContact CE2-O 3.26Å; F489-R611 WeakPolarHBondContact CE2-O 3.18Å; F489-V613 HydrophobicContact CD1-CG1 4.21Å; F489-V613 HydrophobicContact CD2-CB 3.86Å; F489-V613 HydrophobicContact CD2-CG1 3.95Å; F489-V613 HydrophobicContact CE1-CG1 4.03Å; F489-V613 HydrophobicContact CE2-CB 4.13Å; F489-V613 HydrophobicContact CE2-CG1 3.74Å; F489-V613 HydrophobicContact CG-CB 4.07Å; F489-V613 HydrophobicContact CG-CG1 4.17Å; F489-V613 HydrophobicContact CZ-CG1 3.79Å |
| 490 | V | 83.6 | Confident | 75.9 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 39% | 0.394 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -73 | -43.3 | 176.2 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | P506 V508 | V490-P506 HydrophobicContact CB-CB 4.16Å; V490-P506 HydrophobicContact CB-CG 3.85Å; V490-P506 HydrophobicContact CG2-CB 3.74Å; V490-P506 HydrophobicContact CG2-CG 4.01Å; V490-P506 PolarHBondContact N-O 3.13Å; V490-V508 HydrophobicContact CG2-CB 4.18Å; V490-V508 HydrophobicContact CG2-CG2 3.38Å |
| 491 | H | 85.4 | Confident | 75.6 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | trans | -114.8 | 155 | 177.7 | -47.4 | 111.4 | 0 | 0 | 0 | 110.6 | F489 H493 E494 N610 | F489-H491 WeakPolarHBondContact CB-O 3.39Å; H491-H493 WeakPolarHBondContact CB-O 3.25Å; H491-E494 IonicContact CE1-OE1 3.32Å; H491-E494 IonicContact CG-OE1 2.67Å; H491-E494 IonicContact ND1-OE1 3.76Å; H491-E494 PolarHBondContact ND1-OE1 2.91Å; H491-N610 PolarHBondContact O-ND2 2.92Å | ||
| 492 | R | 86.9 | Confident | 76.3 | Confident | 175 Ų | 175 | 63 Ų | 63 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -87.4 | -13.6 | 173.2 | -76.3 | 179.1 | -179.6 | -167.8 | 0.9 | 112.5 | N610 V613 V614 | R492-N610 WeakPolarHBondContact CG-OD1 3.39Å; R492-V613 WeakPolarHBondContact O-CA 3.41Å; R492-V614 PolarHBondContact O-N 3.29Å |
| 493 | H | 87.7 | Confident | 77.5 | Confident | 87 Ų | 87 | 60 Ų | 60 | 40% | 0.403 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 134.3 | -175.3 | -179.3 | -121.7 | 0 | 0 | 0 | 109 | H491 Q495 V614 T616 | H491-H493 WeakPolarHBondContact CB-O 3.25Å; H493-Q495 WeakPolarHBondContact CE1-CG 3.19Å; H493-V614 CarbonylContact C-O 3.59Å; H493-V614 VanDerWaalsContact CA-O 3.29Å; H493-V614 WeakPolarHBondContact CA-O 3.34Å; H493-V614 PolarHBondContact CD2-O 3.22Å; H493-V614 VanDerWaalsContact CD2-O 3.28Å; H493-T616 PolarHBondContact NE2-OG1 3.43Å |
| 494 | E | 85.6 | Confident | 78.8 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140.9 | 175 | -68.2 | -67.5 | 168.6 | 0 | 0 | 108.2 | H491 V503 P506 V613 V614 V615 T616 | H491-E494 IonicContact CE1-OE1 3.32Å; H491-E494 IonicContact CG-OE1 2.67Å; H491-E494 IonicContact ND1-OE1 3.76Å; H491-E494 PolarHBondContact ND1-OE1 2.91Å; E494-V503 HydrophobicContact CB-CG2 4.31Å; E494-P506 WeakPolarHBondContact OE1-CD 3.26Å; E494-V613 HydrophobicContact CB-CG2 4.4Å; E494-V613 HydrophobicContact CG-CG2 3.82Å; E494-V614 PolarHBondContact N-O 2.8Å; E494-V615 HydrophobicContact CB-CG2 4.46Å; E494-V615 CarbonylContact O-C 3.59Å; E494-V615 WeakPolarHBondContact O-CA 2.85Å; E494-T616 PolarHBondContact O-N 2.89Å |
| 495 | Q | 85.9 | Confident | 79.9 | Confident | 117 Ų | 117 | 48.5 Ų | 48.5 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.1 | 176.3 | -65.4 | -171 | -46.5 | 0 | 0 | 109.5 | H493 T616 L618 | H493-Q495 WeakPolarHBondContact CE1-CG 3.19Å; Q495-T616 WeakPolarHBondContact CA-O 3.27Å; Q495-L618 HydrophobicContact CB-CD1 4.25Å |
| 496 | V | 81.5 | Confident | 80.6 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 148.8 | 179.8 | 66.4 | 0 | 0 | 0 | 0 | 108.2 | E500 F502 V503 I583 V615 T616 I617 L618 | V496-E500 HydrophobicContact CG2-CB 3.84Å; V496-F502 WeakPolarHBondContact CG2-O 3.45Å; V496-V503 HydrophobicContact CB-CB 4.08Å; V496-V503 HydrophobicContact CB-CG2 4.21Å; V496-V503 HydrophobicContact CG1-CB 4.1Å; V496-V503 HydrophobicContact CG1-CG2 4.44Å; V496-V503 HydrophobicContact CG2-CB 4.15Å; V496-I583 HydrophobicContact CG1-CD1 4.23Å; V496-I583 HydrophobicContact CG1-CG1 4.02Å; V496-I583 HydrophobicContact CG2-CG1 4.26Å; V496-V615 HydrophobicContact CG1-CG1 3.86Å; V496-T616 PolarHBondContact N-O 3.19Å; V496-I617 HydrophobicContact CG1-CB 4.49Å; V496-I617 HydrophobicContact CG1-CG1 4.05Å; V496-I617 CarbonylContact O-C 3.57Å; V496-I617 VanDerWaalsContact O-CA 3.31Å; V496-I617 WeakPolarHBondContact O-CA 3.44Å; V496-L618 PolarHBondContact O-N 3.41Å |
| 497 | K | 76.6 | Confident | 80.8 | Confident | 93 Ų | 93 | 47.6 Ų | 47.6 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 153 | 169.5 | -60.9 | 179.5 | 169.9 | -160.4 | 0 | 110.1 | S499 E500 L618 D620 | K497-S499 PolarHBondContact O-N 2.66Å; K497-E500 HydrophobicContact CB-CG 4.23Å; K497-E500 WeakPolarHBondContact O-CB 3.18Å; K497-E500 PolarHBondContact O-N 2.89Å; K497-L618 HydrophobicContact CG-CB 4.35Å; K497-D620 HydrophobicContact CB-CB 4.45Å; K497-D620 HydrophobicContact CD-CB 4.25Å |
| 498 | E | 68.9 | Low | 80.8 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -51.8 | -44.5 | 171.5 | -77.6 | 132.1 | -149.4 | 0 | 0 | 110.7 | E500 G501 N585 I617 D620 | E498-E500 PolarHBondContact O-N 2.92Å; E498-E500 VanDerWaalsContact O-N 3.09Å; E498-G501 PolarHBondContact O-N 3.31Å; E498-N585 HydrophobicContact CB-CB 4.29Å; E498-I617 HydrophobicContact CG-CG2 3.65Å; E498-D620 PolarHBondContact N-OD1 3.26Å; E498-D620 PolarHBondContact OE2-N 3.07Å |
| 499 | S | 64.8 | Low | 80.4 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 44% | 0.441 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -62.9 | -17.2 | -179.8 | 71.1 | 0 | 0 | 0 | 0 | 115.7 | K497 G501 N585 D620 | K497-S499 PolarHBondContact O-N 2.66Å; S499-G501 VanDerWaalsContact C-N 3.3Å; S499-N585 PolarHBondContact N-ND2 2.82Å; S499-D620 WeakPolarHBondContact CB-OD2 3.5Å; S499-D620 PolarHBondContact N-OD1 3.15Å; S499-D620 VanDerWaalsContact N-OD1 3.07Å; S499-D620 PolarHBondContact OG-OD2 2.88Å |
| 500 | E | 61.3 | Low | 79.6 | Confident | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -73.4 | -25.8 | 174.6 | -68.4 | -169.5 | -174.8 | 0 | 0 | 111.6 | R355 V496 K497 E498 F502 | R355-E500 PolarHBondContact NH1-O 3.36Å; V496-E500 HydrophobicContact CG2-CB 3.84Å; K497-E500 HydrophobicContact CB-CG 4.23Å; K497-E500 WeakPolarHBondContact O-CB 3.18Å; K497-E500 PolarHBondContact O-N 2.89Å; E498-E500 PolarHBondContact O-N 2.92Å; E498-E500 VanDerWaalsContact O-N 3.09Å; E500-F502 WeakPolarHBondContact O-CD1 3.37Å; E500-F502 PolarHBondContact O-N 2.93Å; E500-F502 VanDerWaalsContact O-N 3.1Å |
| 501 | G | 61.6 | Low | 78.6 | Confident | 25 Ų | 25 | 50 Ų | 50 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | trans | 69.5 | -2.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E498 S499 I583 | E498-G501 PolarHBondContact O-N 3.31Å; S499-G501 VanDerWaalsContact C-N 3.3Å; G501-I583 CarbonylContact C-O 3.59Å; G501-I583 PolarHBondContact O-N 3.02Å | ||
| 502 | F | 75.6 | Confident | 77.2 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 148.9 | 167.5 | 71.2 | -75.3 | 0 | 0 | 0 | 109.9 | V496 E500 R504 D580 I581 | V496-F502 WeakPolarHBondContact CG2-O 3.45Å; E500-F502 WeakPolarHBondContact O-CD1 3.37Å; E500-F502 PolarHBondContact O-N 2.93Å; E500-F502 VanDerWaalsContact O-N 3.1Å; F502-R504 HydrophobicContact CE2-CB 4.21Å; F502-D580 HydrophobicContact CD2-CB 4.45Å; F502-I581 CarbonylContact C-O 3.45Å; F502-I581 WeakPolarHBondContact CA-O 3.1Å; F502-I581 WeakPolarHBondContact CB-O 3.41Å |
| 503 | V | 80.7 | Confident | 75.2 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.7 | 167.1 | 63.6 | 0 | 0 | 0 | 0 | 109.5 | E494 V496 I505 D580 I581 I583 F595 V615 | E494-V503 HydrophobicContact CB-CG2 4.31Å; V496-V503 HydrophobicContact CB-CB 4.08Å; V496-V503 HydrophobicContact CB-CG2 4.21Å; V496-V503 HydrophobicContact CG1-CB 4.1Å; V496-V503 HydrophobicContact CG1-CG2 4.44Å; V496-V503 HydrophobicContact CG2-CB 4.15Å; V503-I505 HydrophobicContact CG1-CD1 4.36Å; V503-I505 HydrophobicContact CG1-CG1 4.32Å; V503-I505 HydrophobicContact CG2-CG1 4.08Å; V503-D580 WeakPolarHBondContact O-CA 3.26Å; V503-I581 HydrophobicContact CG1-CB 3.8Å; V503-I581 PolarHBondContact N-O 3.42Å; V503-I581 PolarHBondContact O-N 3.24Å; V503-I583 HydrophobicContact CB-CG1 4.47Å; V503-I583 HydrophobicContact CG1-CD1 4.15Å; V503-F595 HydrophobicContact CG1-CZ 3.95Å; V503-V615 HydrophobicContact CB-CG1 4.19Å; V503-V615 HydrophobicContact CG1-CG1 4.09Å; V503-V615 HydrophobicContact CG1-CG2 4.35Å; V503-V615 HydrophobicContact CG2-CG1 3.95Å; V503-V615 HydrophobicContact CG2-CG2 4.38Å |
| 504 | R | 81.8 | Confident | 73 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 112.8 | 173.2 | 175.7 | 168.8 | -68.5 | 172.7 | 9.6 | 109.9 | E369 F502 P506 Y578 D580 | E369-R504 VanDerWaalsContact CD-NH1 3.3Å; E369-R504 IonicContact OE1-CZ 2.62Å; E369-R504 VanDerWaalsContact OE1-CZ 3.32Å; E369-R504 IonicContact OE1-NH1 3.97Å; E369-R504 PolarHBondContact OE1-NH1 3.41Å; E369-R504 VanDerWaalsContact OE1-NH1 3.09Å; E369-R504 IonicContact OE1-NH2 3Å; E369-R504 PolarHBondContact OE1-NH2 3.12Å; E369-R504 IonicContact OE2-CZ 2.79Å; E369-R504 IonicContact OE2-NH1 3.78Å; E369-R504 PolarHBondContact OE2-NH1 3.35Å; E369-R504 IonicContact OE2-NH2 3.47Å; F502-R504 HydrophobicContact CE2-CB 4.21Å; R504-P506 WeakPolarHBondContact O-CD 2.96Å; R504-Y578 HydrophobicContact CG-CD1 3.49Å; R504-Y578 VanDerWaalsContact CG-CD1 3.49Å; R504-Y578 HydrophobicContact CG-CE1 4.31Å; R504-Y578 HydrophobicContact CG-CG 3.83Å; R504-D580 WeakPolarHBondContact CB-OD1 3.43Å; R504-D580 WeakPolarHBondContact CG-OD1 3.49Å; R504-D580 IonicContact CZ-OD1 2.88Å; R504-D580 IonicContact NE-OD1 3.43Å; R504-D580 PolarHBondContact NE-OD1 3.01Å; R504-D580 IonicContact NH2-OD1 3.12Å; R504-D580 IonicContact NH2-OD2 3.4Å |
| 505 | I | 87.7 | Confident | 70.7 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.7 | -175.9 | -56.7 | 173.4 | 0 | 0 | 0 | 109.3 | F489 V503 L507 Y578 I579 I581 V597 V613 V615 | F489-I505 HydrophobicContact CD1-CG2 3.4Å; F489-I505 VanDerWaalsContact CD1-CG2 3.4Å; F489-I505 HydrophobicContact CE1-CG2 3.4Å; F489-I505 HydrophobicContact CG-CG2 4.4Å; F489-I505 HydrophobicContact CZ-CG2 4.38Å; V503-I505 HydrophobicContact CG1-CD1 4.36Å; V503-I505 HydrophobicContact CG1-CG1 4.32Å; V503-I505 HydrophobicContact CG2-CG1 4.08Å; I505-L507 WeakPolarHBondContact O-CD1 3.23Å; I505-Y578 WeakPolarHBondContact O-CA 3.41Å; I505-I579 HydrophobicContact CB-CB 4.4Å; I505-I579 PolarHBondContact N-O 3.3Å; I505-I579 PolarHBondContact O-N 3.16Å; I505-I581 HydrophobicContact CD1-CD1 3.94Å; I505-V597 HydrophobicContact CD1-CB 4.07Å; I505-V597 HydrophobicContact CD1-CG1 4.38Å; I505-V597 HydrophobicContact CD1-CG2 3.53Å; I505-V613 HydrophobicContact CD1-CG1 4.01Å; I505-V613 HydrophobicContact CG2-CG1 3.78Å; I505-V615 HydrophobicContact CD1-CG2 3.78Å; I505-V615 HydrophobicContact CG1-CG2 4.39Å |
| 506 | P | 85.7 | Confident | 68 | Low | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.9 | 179.9 | 30.7 | -35.6 | 0 | 0 | 0 | 112.9 | F489 V490 E494 R504 Y578 | F489-P506 WeakPolarHBondContact CA-O 3Å; V490-P506 HydrophobicContact CB-CB 4.16Å; V490-P506 HydrophobicContact CB-CG 3.85Å; V490-P506 HydrophobicContact CG2-CB 3.74Å; V490-P506 HydrophobicContact CG2-CG 4.01Å; V490-P506 PolarHBondContact N-O 3.13Å; E494-P506 WeakPolarHBondContact OE1-CD 3.26Å; R504-P506 WeakPolarHBondContact O-CD 2.96Å; P506-Y578 HydrophobicContact CB-CD1 4.06Å; P506-Y578 HydrophobicContact CB-CE1 3.87Å |
| 507 | L | 88.3 | Confident | 65.8 | Low | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.4 | 170.6 | -58.1 | 95.6 | 0 | 0 | 0 | 109.9 | I487 Q488 F489 I505 L568 E576 A577 I579 L599 | I487-L507 HydrophobicContact CG2-CB 4.47Å; I487-L507 HydrophobicContact CG2-CD2 4.26Å; Q488-L507 WeakPolarHBondContact O-CA 3.16Å; F489-L507 HydrophobicContact CD1-CD2 4.29Å; F489-L507 HydrophobicContact CD1-CG 3.9Å; F489-L507 HydrophobicContact CE1-CD1 4.38Å; F489-L507 HydrophobicContact CE1-CD2 4Å; F489-L507 HydrophobicContact CE1-CG 3.92Å; I505-L507 WeakPolarHBondContact O-CD1 3.23Å; L507-L568 HydrophobicContact CD1-CD2 3.86Å; L507-E576 CarbonylContact O-C 3.54Å; L507-E576 VanDerWaalsContact O-CA 3.31Å; L507-E576 WeakPolarHBondContact O-CA 3.32Å; L507-A577 PolarHBondContact N-O 2.94Å; L507-A577 PolarHBondContact O-N 3.45Å; L507-I579 HydrophobicContact CD1-CB 4.16Å; L507-I579 HydrophobicContact CD1-CD1 3.67Å; L507-I579 HydrophobicContact CD1-CG1 3.55Å; L507-I579 HydrophobicContact CD2-CD1 3.98Å; L507-I579 HydrophobicContact CG-CD1 4.36Å; L507-L599 HydrophobicContact CD2-CD1 4.03Å; L507-L599 HydrophobicContact CD2-CD2 3.48Å; L507-L599 VanDerWaalsContact CD2-CD2 3.48Å; L507-L599 HydrophobicContact CD2-CG 4.4Å |
| 508 | V | 85.6 | Confident | 63.6 | Low | 22 Ų | 22 | 52.6 Ų | 52.6 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.3 | 176.3 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | I487 Q488 V490 H510 I575 E576 | I487-V508 WeakPolarHBondContact CA-O 3.34Å; Q488-V508 PolarHBondContact N-O 3.16Å; Q488-V508 VanDerWaalsContact N-O 3.11Å; Q488-V508 PolarHBondContact O-N 2.91Å; V490-V508 HydrophobicContact CG2-CB 4.18Å; V490-V508 HydrophobicContact CG2-CG2 3.38Å; V508-H510 WeakPolarHBondContact CG1-CD2 3.26Å; V508-H510 WeakPolarHBondContact CG1-NE2 3.33Å; V508-I575 CarbonylContact C-O 3.53Å; V508-I575 WeakPolarHBondContact CA-O 3.11Å; V508-I575 HydrophobicContact CG1-CG2 4.18Å; V508-E576 HydrophobicContact CG2-CB 4.29Å; V508-E576 HydrophobicContact CG2-CG 4Å |
| 509 | R | 81.4 | Confident | 61.9 | Low | 17 Ų | 17 | 58.1 Ų | 58.1 | 6% | 0.064 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 115.1 | 169.3 | -174.6 | 179.8 | 76.4 | 161 | 2.4 | 109.6 | M485 S486 I487 L570 V574 I575 | M485-R509 HydrophobicContact CG-CG 3.95Å; M485-R509 HydrophobicContact SD-CG 4.2Å; S486-R509 CarbonylContact O-C 3.59Å; S486-R509 WeakPolarHBondContact O-CA 3.05Å; I487-R509 HydrophobicContact CG1-CB 4.27Å; I487-R509 HydrophobicContact CG1-CG 4.18Å; R509-L570 HydrophobicContact CB-CD2 4.19Å; R509-V574 PolarHBondContact NE-O 3.24Å; R509-I575 PolarHBondContact N-O 2.94Å |
| 510 | H | 75.2 | Confident | 60.3 | Low | 88 Ų | 88 | 67.1 Ų | 67.1 | 41% | 0.407 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 151.2 | 168.5 | -67.4 | 166.2 | 0 | 0 | 0 | 110.5 | M485 S486 Q488 V508 | M485-H510 CarbonylContact C-O 3.52Å; M485-H510 WeakPolarHBondContact CA-O 3.39Å; S486-H510 PolarHBondContact N-O 2.95Å; S486-H510 PolarHBondContact O-N 3.45Å; Q488-H510 PolarHBondContact NE2-CE1 3.37Å; V508-H510 WeakPolarHBondContact CG1-CD2 3.26Å; V508-H510 WeakPolarHBondContact CG1-NE2 3.33Å |
| 511 | G | 63.3 | Low | 59 | Low | 25 Ų | 25 | 66.9 Ų | 66.9 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 81.3 | 170.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | N483 | N483-G511 WeakPolarHBondContact O-CA 3.22Š|
| 512 | L | 54.6 | Low | 57.6 | Low | 48 Ų | 48 | 73.8 Ų | 73.8 | 25% | 0.251 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -110.9 | 148.4 | 172.4 | -66.5 | 170.6 | 0 | 0 | 0 | 108.4 | N483 M485 S514 H539 L540 | N483-L512 PolarHBondContact O-N 3.33Å; N483-L512 VanDerWaalsContact O-N 3.16Å; M485-L512 PolarHBondContact N-O 2.82Å; L512-S514 PolarHBondContact O-N 2.91Å; L512-S514 VanDerWaalsContact O-N 3.14Å; L512-H539 HydrophobicContact CB-CB 4.37Å; L512-L540 HydrophobicContact CD2-CD1 3.37Å; L512-L540 HydrophobicContact CD2-CG 3.55Å |
| 513 | I | 46.5 | Very low | 55.3 | Low | 40 Ų | 40 | 79.4 Ų | 79.4 | 21% | 0.205 | 44% | 0.436 | C | S | . | . | trans | -58.6 | 120.7 | 175.9 | -61.8 | 173.6 | 0 | 0 | 0 | 107.9 | M485 H539 V542 A604 | M485-I513 HydrophobicContact CB-CG1 4.34Å; M485-I513 HydrophobicContact CE-CG1 4.4Å; M485-I513 HydrophobicContact SD-CD1 4.38Å; M485-I513 HydrophobicContact SD-CG1 3.79Å; I513-H539 HydrophobicContact CB-CB 4.48Å; I513-H539 WeakPolarHBondContact O-CB 3.48Å; I513-H539 PolarHBondContact O-CD2 2.9Å; I513-V542 HydrophobicContact CD1-CB 3.75Å; I513-V542 HydrophobicContact CD1-CG1 4.3Å; I513-V542 HydrophobicContact CD1-CG2 4.12Å; I513-A604 HydrophobicContact CD1-CB 4.26Å | ||
| 514 | S | 41 | Very low | 52.9 | Low | 90 Ų | 90 | 85.4 Ų | 85.4 | 63% | 0.629 | 47% | 0.473 | S | S | * | . | trans | -89 | 111.6 | 168.5 | -168.7 | 0 | 0 | 0 | 0 | 107.6 | L512 G516 | L512-S514 PolarHBondContact O-N 2.91Å; L512-S514 VanDerWaalsContact O-N 3.14Å; S514-G516 PolarHBondContact O-N 2.96Å | ||
| 515 | G | 37.5 | Very low | 50.6 | Low | 54 Ų | 54 | 89.2 Ų | 89.2 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | trans | -66.5 | 97.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I517 | G515-I517 PolarHBondContact O-N 2.86Š| ||
| 516 | G | 29.6 | Very low | 48 | Very low | 74 Ų | 74 | 94.2 Ų | 94.2 | 76% | 0.763 | 54% | 0.535 | S | S | * | . | trans | -68.2 | 93.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | S514 | S514-G516 PolarHBondContact O-N 2.96Š| ||
| 517 | I | 33.8 | Very low | 45.4 | Very low | 159 Ų | 159 | 104.6 Ų | 104.6 | 82% | 0.815 | 57% | 0.573 | S | S | * | * | trans | -97 | 86.7 | 151.5 | -59.9 | 176.7 | 0 | 0 | 0 | 106 | G515 D519 | G515-I517 PolarHBondContact O-N 2.86Å; I517-D519 HydrophobicContact CG2-CB 4.23Å | ||
| 518 | Q | 31 | Very low | 42.7 | Very low | 198 Ų | 198 | 110.8 Ų | 110.8 | 93% | 0.925 | 61% | 0.61 | S | S | * | * | trans | -89.5 | 89.4 | 153.7 | -83.1 | -173.5 | -7.4 | 0 | 0 | 106.5 | ||||
| 519 | D | 33.8 | Very low | 40.1 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 65% | 0.647 | 63% | 0.633 | S | S | * | * | trans | -120.3 | 103.4 | 161.5 | -153.7 | -9.7 | 0 | 0 | 0 | 108.6 | I517 S521 | I517-D519 HydrophobicContact CG2-CB 4.23Å; D519-S521 PolarHBondContact OD1-OG 2.98Å | ||
| 520 | R | 31.2 | Very low | 37.7 | Very low | 251 Ų | 251 | 123.1 Ų | 123.1 | 95% | 0.947 | 67% | 0.671 | S | S | * | * | trans | -109.5 | 62.1 | 174.5 | -96.7 | -167.3 | 178.1 | -174.6 | 1.3 | 108.4 | ||||
| 521 | S | 32.5 | Very low | 35.5 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | trans | -165 | 101 | 166 | 20.3 | 0 | 0 | 0 | 0 | 110.3 | D519 | D519-S521 PolarHBondContact OD1-OG 2.98Š| ||
| 522 | I | 33.3 | Very low | 34 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | 153.5 | 104.5 | 135.2 | -74.6 | 154.8 | 0 | 0 | 0 | 108.4 | ||||
| 523 | M | 27.3 | Very low | 33.1 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | trans | -74.9 | 166.6 | 170.3 | -128.2 | -172.2 | -75.7 | 0 | 0 | 110 | ||||
| 524 | T | 30.3 | Very low | 32.4 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 80.2 | 125.1 | 168.1 | 5.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 525 | V | 33.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | cis | -150.6 | 135.3 | 22.3 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 526 | S | 32.3 | Very low | 32.2 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 21.6 | 136.3 | 142.6 | -40.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 527 | R | 31.1 | Very low | 32.7 | Very low | 231 Ų | 231 | 149.6 Ų | 149.6 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | cis | -178.4 | 128.5 | 40.8 | -143.9 | 170.4 | -179.5 | -176.8 | 0.4 | 108.3 | ||||
| 528 | V | 31.3 | Very low | 33 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | 58.8 | 132.3 | 131.5 | 174.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 529 | V | 31.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | cis | -171.7 | 143.1 | -1.3 | 141 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 530 | F | 30.7 | Very low | 34.7 | Very low | 198 Ų | 198 | 138.2 Ų | 138.2 | 87% | 0.868 | 72% | 0.715 | S | S | * | * | trans | 138.6 | 74.2 | 153.2 | -81.3 | -66.9 | 0 | 0 | 0 | 111.1 | ||||
| 531 | F | 28.7 | Very low | 35.8 | Very low | 215 Ų | 215 | 133.3 Ų | 133.3 | 94% | 0.943 | 70% | 0.7 | S | S | * | * | trans | -75.2 | 118.7 | 168.8 | -90.4 | -93.7 | 0 | 0 | 0 | 110.4 | ||||
| 532 | K | 32.2 | Very low | 37.3 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 89% | 0.887 | 69% | 0.694 | S | S | * | * | trans | -113 | 106.3 | 151.3 | -137.5 | 176.5 | -175.1 | -180 | 0 | 106 | ||||
| 533 | S | 35.1 | Very low | 39.1 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | -28.3 | 126.7 | -179.7 | 51 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 534 | Q | 33.1 | Very low | 41.6 | Very low | 190 Ų | 190 | 117.7 Ų | 117.7 | 89% | 0.888 | 62% | 0.624 | S | S | * | * | trans | -56.3 | 134.6 | 160.7 | -84.9 | 177.2 | -36.7 | 0 | 0 | 109.6 | ||||
| 535 | P | 36.8 | Very low | 44.3 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 59% | 0.591 | 60% | 0.597 | S | S | * | * | trans | -70.4 | 158.1 | 175.9 | 2.9 | 9.6 | 0 | 0 | 0 | 111.1 | S537 | P535-S537 PolarHBondContact O-N 3.39Å; P535-S537 PolarHBondContact O-OG 3.39Å | ||
| 536 | P | 36.1 | Very low | 47 | Very low | 115 Ų | 115 | 107.8 Ų | 107.8 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -68.8 | 28.3 | -177.9 | -14.8 | 29.8 | 0 | 0 | 0 | 115.6 | L538 H539 | P536-L538 PolarHBondContact O-N 3.43Å; P536-H539 PolarHBondContact O-ND1 2.91Å |
| 537 | S | 41.2 | Very low | 49.8 | Very low | 59 Ų | 59 | 106.5 Ų | 106.5 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 20.7 | -145.7 | 43.2 | 0 | 0 | 0 | 0 | 117.7 | P535 | P535-S537 PolarHBondContact O-N 3.39Å; P535-S537 PolarHBondContact O-OG 3.39Å |
| 538 | L | 39.2 | Very low | 52.8 | Low | 142 Ų | 142 | 97 Ų | 97 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -6.5 | 179.5 | -143.8 | 77.2 | 0 | 0 | 0 | 115.5 | P536 L540 | P536-L538 PolarHBondContact O-N 3.43Å; L538-L540 PolarHBondContact O-N 3.34Å |
| 539 | H | 49.9 | Very low | 55.8 | Low | 66 Ų | 66 | 94.6 Ų | 94.6 | 31% | 0.306 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.6 | -154.4 | -56.6 | 104.5 | 0 | 0 | 0 | 117.5 | L512 I513 P536 | L512-H539 HydrophobicContact CB-CB 4.37Å; I513-H539 HydrophobicContact CB-CB 4.48Å; I513-H539 WeakPolarHBondContact O-CB 3.48Å; I513-H539 PolarHBondContact O-CD2 2.9Å; P536-H539 PolarHBondContact O-ND1 2.91Å |
| 540 | L | 51.7 | Low | 58.9 | Low | 31 Ų | 31 | 90 Ų | 90 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -5.2 | -177.6 | -110.1 | 145.7 | 0 | 0 | 0 | 114.8 | A376 N378 P479 L512 L538 | A376-L540 HydrophobicContact CB-CD2 3.88Å; N378-L540 HydrophobicContact CB-CD1 4.28Å; P479-L540 HydrophobicContact CG-CD1 4.29Å; L512-L540 HydrophobicContact CD2-CD1 3.37Å; L512-L540 HydrophobicContact CD2-CG 3.55Å; L538-L540 PolarHBondContact O-N 3.34Å |
| 541 | K | 53.4 | Low | 61.8 | Low | 148 Ų | 148 | 85.1 Ų | 85.1 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -86.7 | -1.6 | -175.4 | -81.2 | -169.9 | 174.5 | -176.6 | 0 | 115 | P572 | K541-P572 WeakPolarHBondContact O-CG 3.46Š|
| 542 | V | 63.6 | Low | 64.9 | Low | 72 Ų | 72 | 79 Ų | 79 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | trans | -101.3 | 116.9 | -176.7 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | I513 A604 | I513-V542 HydrophobicContact CD1-CB 3.75Å; I513-V542 HydrophobicContact CD1-CG1 4.3Å; I513-V542 HydrophobicContact CD1-CG2 4.12Å; V542-A604 HydrophobicContact CG1-CB 4.2Å | ||
| 543 | G | 71.4 | Confident | 67.6 | Low | 26 Ų | 26 | 71.4 Ų | 71.4 | 27% | 0.268 | 40% | 0.398 | S | S | . | . | trans | -68.8 | 152.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L570 | G543-L570 CarbonylContact C-O 3.6Å; G543-L570 WeakPolarHBondContact CA-O 3.36Å | ||
| 544 | C | 80.7 | Confident | 70.2 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142 | 178 | 55 | 0 | 0 | 0 | 0 | 110.5 | M485 I487 L570 A604 | M485-C544 HydrophobicContact CE-CB 4.03Å; I487-C544 HydrophobicContact CD1-CB 4.37Å; I487-C544 WeakPolarHBondContact CD1-SG 3.41Å; C544-L570 PolarHBondContact N-O 3.14Å; C544-L570 PolarHBondContact O-N 2.85Å; C544-A604 HydrophobicContact CB-CB 4.07Å |
| 545 | T | 86.6 | Confident | 72.9 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 108.2 | L568 V569 C602 T603 | T545-L568 CarbonylContact C-O 3.37Å; T545-L568 WeakPolarHBondContact CA-O 3.47Å; T545-V569 HydrophobicContact CG2-CG2 4.23Å; T545-C602 WeakPolarHBondContact O-CA 3.47Å; T545-T603 PolarHBondContact N-OG1 3.15Å; T545-T603 PolarHBondContact O-N 2.85Å |
| 546 | V | 89.5 | Confident | 75.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.2 | -179.3 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | I487 S567 L568 L570 L599 S601 C602 | I487-V546 HydrophobicContact CD1-CG2 3.33Å; I487-V546 HydrophobicContact CG2-CG2 4.12Å; V546-S567 CarbonylContact O-C 3.53Å; V546-S567 WeakPolarHBondContact O-CA 3.48Å; V546-L568 PolarHBondContact N-O 2.83Å; V546-L568 PolarHBondContact O-N 2.99Å; V546-L570 HydrophobicContact CG2-CD1 3.75Å; V546-L599 HydrophobicContact CG1-CD2 3.95Å; V546-S601 WeakPolarHBondContact CA-O 3.2Å; V546-C602 HydrophobicContact CG2-CB 4.44Å |
| 547 | Q | 92.9 | Very high | 77.9 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133.2 | 172.6 | -67.9 | -70.5 | -15.2 | 0 | 0 | 109.1 | G566 L600 S601 | Q547-G566 PolarHBondContact OE1-O 3.41Å; Q547-L600 HydrophobicContact CB-CB 3.99Å; Q547-L600 PolarHBondContact O-N 3.45Å; Q547-S601 PolarHBondContact N-O 3.29Å |
| 548 | W | 93.7 | Very high | 79.8 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 12% | 0.121 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.8 | 177.1 | 63.4 | -88.7 | 0 | 0 | 0 | 110.7 | T550 G565 G566 I579 I581 V597 T598 L599 | W548-T550 HydrophobicContact CE3-CG2 4.44Å; W548-T550 HydrophobicContact CZ3-CG2 3.84Å; W548-G565 CarbonylContact O-C 3.52Å; W548-G565 WeakPolarHBondContact O-CA 2.69Å; W548-G566 PolarHBondContact N-O 2.84Å; W548-G566 PolarHBondContact NE1-O 3.16Å; W548-G566 PolarHBondContact O-N 2.93Å; W548-I579 HydrophobicContact CB-CD1 3.77Å; W548-I579 HydrophobicContact CD2-CD1 3.88Å; W548-I579 HydrophobicContact CD2-CG1 4.32Å; W548-I579 HydrophobicContact CD2-CG2 3.99Å; W548-I579 HydrophobicContact CE3-CG2 4.13Å; W548-I579 HydrophobicContact CG-CD1 3.46Å; W548-I579 VanDerWaalsContact CG-CD1 3.46Å; W548-I579 HydrophobicContact CG-CG1 4.19Å; W548-I579 HydrophobicContact CH2-CG2 3.97Å; W548-I579 HydrophobicContact CZ2-CG2 3.81Å; W548-I579 HydrophobicContact CZ3-CG2 4.12Å; W548-I581 HydrophobicContact CH2-CD1 4.43Å; W548-I581 HydrophobicContact CH2-CG1 4.15Å; W548-I581 HydrophobicContact CZ3-CD1 3.96Å; W548-I581 HydrophobicContact CZ3-CG1 4.18Å; W548-V597 HydrophobicContact CE3-CG1 3.9Å; W548-T598 CarbonylContact C-O 3.59Å; W548-T598 VanDerWaalsContact CA-O 3.28Å; W548-T598 WeakPolarHBondContact CA-O 3.44Å; W548-L599 HydrophobicContact CB-CD2 4.14Å |
| 549 | K | 94.7 | Very high | 81.8 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.5 | -179.4 | -170.5 | -166.2 | 169 | -161.8 | 0 | 110.1 | E551 E564 V597 T598 L600 | K549-E551 IonicContact NZ-OE1 3.62Å; K549-E564 WeakPolarHBondContact CA-O 3.43Å; K549-E564 WeakPolarHBondContact CG-O 3.46Å; K549-V597 WeakPolarHBondContact O-CA 3.34Å; K549-T598 PolarHBondContact N-O 3.32Å; K549-T598 PolarHBondContact O-N 3.35Å; K549-L600 HydrophobicContact CB-CD1 3.97Å; K549-L600 HydrophobicContact CB-CD2 4.37Å; K549-L600 HydrophobicContact CB-CG 4.24Å |
| 550 | T | 94.6 | Very high | 83.4 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 147.5 | 169.9 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | W548 Y561 G563 E564 I581 F595 T596 V597 | W548-T550 HydrophobicContact CE3-CG2 4.44Å; W548-T550 HydrophobicContact CZ3-CG2 3.84Å; T550-Y561 HydrophobicContact CG2-CE2 3.89Å; T550-G563 PolarHBondContact OG1-O 2.98Å; T550-E564 PolarHBondContact N-O 3.49Å; T550-E564 VanDerWaalsContact OG1-C 3.25Å; T550-E564 VanDerWaalsContact OG1-CA 3.24Å; T550-E564 WeakPolarHBondContact OG1-CA 3.32Å; T550-E564 PolarHBondContact OG1-O 3.2Å; T550-I581 HydrophobicContact CG2-CD1 3.68Å; T550-F595 HydrophobicContact CG2-CD2 4.29Å; T550-F595 HydrophobicContact CG2-CE2 4.24Å; T550-T596 CarbonylContact C-O 3.57Å; T550-T596 VanDerWaalsContact CA-O 3.3Å; T550-T596 WeakPolarHBondContact CA-O 3.35Å; T550-V597 HydrophobicContact CG2-CG2 4.03Å |
| 551 | E | 93.6 | Very high | 85.1 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132 | 171.2 | -63.7 | -176.7 | 165 | 0 | 0 | 109.4 | K549 T596 | K549-E551 IonicContact NZ-OE1 3.62Å; E551-T596 PolarHBondContact N-O 2.73Å; E551-T596 PolarHBondContact O-N 3.12Å; E551-T596 PolarHBondContact O-OG1 3.22Å |
| 552 | N | 92.5 | Very high | 86.6 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 139.5 | 178.5 | -65.1 | -6.7 | 0 | 0 | 0 | 110.5 | A555 R557 Y561 | N552-A555 WeakPolarHBondContact CA-O 3.17Å; N552-A555 WeakPolarHBondContact CB-O 3.26Å; N552-R557 WeakPolarHBondContact OD1-CB 3.44Å; N552-R557 PolarHBondContact OD1-N 3.29Å; N552-Y561 PolarHBondContact N-OH 2.86Å; N552-Y561 PolarHBondContact OD1-OH 3.34Å |
| 553 | G | 89.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 45% | 0.454 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -113.3 | -118.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | A555 T594 | G553-A555 PolarHBondContact N-O 2.79Å; G553-A555 VanDerWaalsContact N-O 3.17Å; G553-T594 CarbonylContact C-O 3.45Å; G553-T594 VanDerWaalsContact C-O 3.29Å; G553-T594 WeakPolarHBondContact CA-O 3.23Å; G553-T594 PolarHBondContact N-O 3.31Å |
| 554 | S | 89.7 | Confident | 87.8 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -68.8 | -38 | 161.5 | 31.5 | 0 | 0 | 0 | 0 | 111.5 | E593 T594 | S554-E593 WeakPolarHBondContact OG-CA 3.39Å; S554-T594 PolarHBondContact N-O 2.98Å; S554-T594 PolarHBondContact OG-N 2.93Å; S554-T594 PolarHBondContact OG-OG1 2.91Å; S554-T594 VanDerWaalsContact OG-OG1 3.07Å |
| 555 | A | 89 | Confident | 88.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -76.4 | 131.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N552 G553 D560 Y561 E593 T594 F595 I617 | N552-A555 WeakPolarHBondContact CA-O 3.17Å; N552-A555 WeakPolarHBondContact CB-O 3.26Å; G553-A555 PolarHBondContact N-O 2.79Å; G553-A555 VanDerWaalsContact N-O 3.17Å; A555-D560 VanDerWaalsContact CA-OD2 3.26Å; A555-D560 WeakPolarHBondContact CA-OD2 3.33Å; A555-D560 HydrophobicContact CB-CB 4.02Å; A555-Y561 HydrophobicContact CB-CD1 4.16Å; A555-Y561 HydrophobicContact CB-CE1 4.4Å; A555-E593 VanDerWaalsContact CA-OE2 3.22Å; A555-E593 WeakPolarHBondContact CA-OE2 3.31Å; A555-E593 HydrophobicContact CB-CB 3.79Å; A555-T594 PolarHBondContact N-O 3.44Å; A555-F595 HydrophobicContact CB-CB 4.18Å; A555-F595 HydrophobicContact CB-CD1 4.2Å; A555-I617 HydrophobicContact CB-CD1 3.93Å |
| 556 | K | 90 | Very high | 88.1 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 135.7 | 177.6 | -62.3 | -162.5 | -140.9 | 122.8 | 0 | 113 | G558 E559 D560 Y561 | K556-G558 PolarHBondContact O-N 2.91Å; K556-E559 HydrophobicContact CB-CB 4.3Å; K556-E559 WeakPolarHBondContact CD-OE2 3.32Å; K556-E559 IonicContact NZ-OE1 2.72Å; K556-E559 IonicContact NZ-OE2 3.09Å; K556-E559 PolarHBondContact NZ-OE2 3.39Å; K556-E559 PolarHBondContact O-N 3.5Å; K556-D560 WeakPolarHBondContact CA-OD2 3.24Å; K556-D560 PolarHBondContact N-OD2 3.13Å; K556-D560 PolarHBondContact O-N 2.89Å; K556-Y561 VanDerWaalsContact C-CE1 3.49Å |
| 557 | R | 88.7 | Confident | 88 | Confident | 117 Ų | 117 | 58.7 Ų | 58.7 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -59.2 | 126.6 | 171.9 | -172.4 | -174.2 | 77.6 | -158.9 | 14.7 | 111.4 | N552 E559 Y561 E564 | N552-R557 WeakPolarHBondContact OD1-CB 3.44Å; N552-R557 PolarHBondContact OD1-N 3.29Å; R557-E559 VanDerWaalsContact C-N 3.32Å; R557-Y561 CarbonylContact C-O 3.6Å; R557-Y561 WeakPolarHBondContact CA-O 3.34Å; R557-Y561 HydrophobicContact CB-CE1 4.21Å; R557-Y561 HydrophobicContact CB-CE2 4.09Å; R557-Y561 HydrophobicContact CG-CE2 4.25Å; R557-Y561 VanDerWaalsContact N-CE1 3.3Å; R557-E564 IonicContact CZ-OE1 2.7Å; R557-E564 VanDerWaalsContact NH1-CG 3.34Å; R557-E564 IonicContact NH1-OE1 3.83Å; R557-E564 PolarHBondContact NH1-OE1 3.29Å; R557-E564 IonicContact NH1-OE2 3.63Å; R557-E564 IonicContact NH2-OE1 2.81Å |
| 558 | G | 80.7 | Confident | 87.7 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -21.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | K556 Y561 | K556-G558 PolarHBondContact O-N 2.91Å; G558-Y561 PolarHBondContact N-O 2.76Å |
| 559 | E | 82.9 | Confident | 87.3 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -62.6 | 170.3 | -68.9 | 170.3 | -170.4 | 0 | 0 | 107.7 | K556 R557 V584 | K556-E559 HydrophobicContact CB-CB 4.3Å; K556-E559 WeakPolarHBondContact CD-OE2 3.32Å; K556-E559 IonicContact NZ-OE1 2.72Å; K556-E559 IonicContact NZ-OE2 3.09Å; K556-E559 PolarHBondContact NZ-OE2 3.39Å; K556-E559 PolarHBondContact O-N 3.5Å; R557-E559 VanDerWaalsContact C-N 3.32Å; E559-V584 WeakPolarHBondContact O-CB 3.45Å; E559-V584 VanDerWaalsContact O-CG1 3.23Å; E559-V584 WeakPolarHBondContact O-CG1 3.37Å; E559-V584 VanDerWaalsContact O-CG2 3.28Å; E559-V584 WeakPolarHBondContact O-CG2 3.37Å |
| 560 | D | 82.6 | Confident | 86.7 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -21.5 | -168.4 | -31.3 | -53.8 | 0 | 0 | 0 | 113.2 | A555 K556 V584 E593 I617 | A555-D560 VanDerWaalsContact CA-OD2 3.26Å; A555-D560 WeakPolarHBondContact CA-OD2 3.33Å; A555-D560 HydrophobicContact CB-CB 4.02Å; K556-D560 WeakPolarHBondContact CA-OD2 3.24Å; K556-D560 PolarHBondContact N-OD2 3.13Å; K556-D560 PolarHBondContact O-N 2.89Å; D560-V584 PolarHBondContact O-N 3.2Å; D560-E593 VanDerWaalsContact CG-OE2 3.3Å; D560-I617 HydrophobicContact CB-CD1 3.99Å |
| 561 | Y | 88.2 | Confident | 86 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -148.7 | 156.3 | 176.8 | 75.5 | -84.5 | 0 | 0 | 0 | 113 | T550 N552 A555 K556 R557 G558 I581 P582 F595 | T550-Y561 HydrophobicContact CG2-CE2 3.89Å; N552-Y561 PolarHBondContact N-OH 2.86Å; N552-Y561 PolarHBondContact OD1-OH 3.34Å; A555-Y561 HydrophobicContact CB-CD1 4.16Å; A555-Y561 HydrophobicContact CB-CE1 4.4Å; K556-Y561 VanDerWaalsContact C-CE1 3.49Å; R557-Y561 CarbonylContact C-O 3.6Å; R557-Y561 WeakPolarHBondContact CA-O 3.34Å; R557-Y561 HydrophobicContact CB-CE1 4.21Å; R557-Y561 HydrophobicContact CB-CE2 4.09Å; R557-Y561 HydrophobicContact CG-CE2 4.25Å; R557-Y561 VanDerWaalsContact N-CE1 3.3Å; G558-Y561 PolarHBondContact N-O 2.76Å; Y561-I581 HydrophobicContact CD2-CG2 4Å; Y561-P582 WeakPolarHBondContact CA-O 3.41Å; Y561-F595 HydrophobicContact CD1-CB 4.07Å; Y561-F595 AromaticContact CD1-CD1 3.84Å; Y561-F595 HydrophobicContact CD1-CD1 3.84Å; Y561-F595 HydrophobicContact CD1-CD2 4.41Å; Y561-F595 HydrophobicContact CD1-CE1 4.36Å; Y561-F595 AromaticContact CD1-CG 3.86Å; Y561-F595 HydrophobicContact CD1-CG 3.86Å; Y561-F595 HydrophobicContact CD2-CD2 4.17Å; Y561-F595 HydrophobicContact CD2-CE2 4.18Å; Y561-F595 HydrophobicContact CD2-CG 4.42Å; Y561-F595 HydrophobicContact CD2-CZ 4.43Å; Y561-F595 HydrophobicContact CE1-CB 3.58Å; Y561-F595 HydrophobicContact CE1-CD1 4.24Å; Y561-F595 HydrophobicContact CE1-CD2 4.28Å; Y561-F595 AromaticContact CE1-CG 3.79Å; Y561-F595 HydrophobicContact CE1-CG 3.79Å; Y561-F595 HydrophobicContact CE2-CD2 4.04Å; Y561-F595 HydrophobicContact CE2-CE2 4.4Å; Y561-F595 HydrophobicContact CE2-CG 4.37Å; Y561-F595 HydrophobicContact CG-CD1 4.08Å; Y561-F595 HydrophobicContact CG-CD2 4.35Å; Y561-F595 HydrophobicContact CG-CE1 4.16Å; Y561-F595 HydrophobicContact CG-CE2 4.43Å; Y561-F595 HydrophobicContact CG-CG 4.17Å; Y561-F595 HydrophobicContact CG-CZ 4.32Å |
| 562 | I | 84 | Confident | 85.1 | Confident | 98 Ų | 98 | 57.5 Ų | 57.5 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | trans | -116.4 | 126.5 | -176.5 | -53.7 | 175.5 | 0 | 0 | 0 | 110.9 | P582 V584 | I562-P582 HydrophobicContact CB-CB 4.15Å; I562-P582 HydrophobicContact CB-CG 4.39Å; I562-P582 HydrophobicContact CD1-CB 4.45Å; I562-P582 PolarHBondContact N-O 3.2Å; I562-P582 WeakPolarHBondContact O-CD 3.26Å; I562-V584 HydrophobicContact CD1-CG2 4.1Å; I562-V584 HydrophobicContact CG1-CG2 3.81Å | ||
| 563 | G | 77.7 | Confident | 84.2 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | trans | 128.8 | 134.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | T550 | T550-G563 PolarHBondContact OG1-O 2.98Š| ||
| 564 | E | 82.6 | Confident | 83.8 | Confident | 110 Ų | 110 | 52.4 Ų | 52.4 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -99.3 | -25.9 | 177.5 | 178.4 | 163.7 | -139.9 | 0 | 0 | 112.3 | K549 T550 R557 | K549-E564 WeakPolarHBondContact CA-O 3.43Å; K549-E564 WeakPolarHBondContact CG-O 3.46Å; T550-E564 PolarHBondContact N-O 3.49Å; T550-E564 VanDerWaalsContact OG1-C 3.25Å; T550-E564 VanDerWaalsContact OG1-CA 3.24Å; T550-E564 WeakPolarHBondContact OG1-CA 3.32Å; T550-E564 PolarHBondContact OG1-O 3.2Å; R557-E564 IonicContact CZ-OE1 2.7Å; R557-E564 VanDerWaalsContact NH1-CG 3.34Å; R557-E564 IonicContact NH1-OE1 3.83Å; R557-E564 PolarHBondContact NH1-OE1 3.29Å; R557-E564 IonicContact NH1-OE2 3.63Å; R557-E564 IonicContact NH2-OE1 2.81Å |
| 565 | G | 86.4 | Confident | 83.2 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W548 | W548-G565 CarbonylContact O-C 3.52Å; W548-G565 WeakPolarHBondContact O-CA 2.69Å |
| 566 | G | 87.2 | Confident | 82.9 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q547 W548 | Q547-G566 PolarHBondContact OE1-O 3.41Å; W548-G566 PolarHBondContact N-O 2.84Å; W548-G566 PolarHBondContact NE1-O 3.16Å; W548-G566 PolarHBondContact O-N 2.93Å |
| 567 | S | 87.1 | Confident | 82.5 | Confident | 71 Ų | 71 | 48 Ų | 48 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118 | 173.3 | 61.7 | 0 | 0 | 0 | 0 | 110 | V546 | V546-S567 CarbonylContact O-C 3.53Å; V546-S567 WeakPolarHBondContact O-CA 3.48Å |
| 568 | L | 86 | Confident | 82.3 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 122.6 | 171.8 | 179.9 | 66.9 | 0 | 0 | 0 | 109.4 | L507 T545 V546 L570 A577 I579 | L507-L568 HydrophobicContact CD1-CD2 3.86Å; T545-L568 CarbonylContact C-O 3.37Å; T545-L568 WeakPolarHBondContact CA-O 3.47Å; V546-L568 PolarHBondContact N-O 2.83Å; V546-L568 PolarHBondContact O-N 2.99Å; L568-L570 HydrophobicContact CD2-CD1 4.06Å; L568-L570 HydrophobicContact CG-CD1 4.08Å; L568-A577 HydrophobicContact CD2-CB 3.88Å; L568-I579 HydrophobicContact CD2-CG1 4.15Å |
| 569 | V | 85.5 | Confident | 82.6 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 55% | 0.552 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 114.8 | 175.3 | -178 | 0 | 0 | 0 | 0 | 109 | T545 | T545-V569 HydrophobicContact CG2-CG2 4.23Å |
| 570 | L | 82.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 111.4 | 168.5 | -71.7 | 79.2 | 0 | 0 | 0 | 108 | I487 R509 G543 C544 V546 L568 A577 | I487-L570 HydrophobicContact CD1-CD2 4.47Å; R509-L570 HydrophobicContact CB-CD2 4.19Å; G543-L570 CarbonylContact C-O 3.6Å; G543-L570 WeakPolarHBondContact CA-O 3.36Å; C544-L570 PolarHBondContact N-O 3.14Å; C544-L570 PolarHBondContact O-N 2.85Å; V546-L570 HydrophobicContact CG2-CD1 3.75Å; L568-L570 HydrophobicContact CD2-CD1 4.06Å; L568-L570 HydrophobicContact CG-CD1 4.08Å; L570-A577 HydrophobicContact CD1-CB 4.37Å; L570-A577 HydrophobicContact CD2-CB 4.16Å; L570-A577 HydrophobicContact CG-CB 3.86Å |
| 571 | E | 80.6 | Confident | 82.8 | Confident | 61 Ų | 61 | 38.6 Ų | 38.6 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | trans | -60.7 | 154.2 | 175 | -69.4 | -172.7 | -160.9 | 0 | 0 | 110.8 | K388 R433 G573 V574 | K388-E571 VanDerWaalsContact CE-OE1 3.26Å; K388-E571 WeakPolarHBondContact CE-OE1 3.44Å; K388-E571 IonicContact NZ-OE1 2.73Å; K388-E571 PolarHBondContact NZ-OE1 3.09Å; R433-E571 IonicContact CZ-OE2 2.78Å; R433-E571 IonicContact NH2-OE1 3.78Å; R433-E571 IonicContact NH2-OE2 3.81Å; R433-E571 PolarHBondContact NH2-OE2 3.17Å; E571-G573 PolarHBondContact O-N 3.44Å; E571-V574 HydrophobicContact CB-CG2 4.06Å; E571-V574 WeakPolarHBondContact O-CB 3.33Å; E571-V574 PolarHBondContact O-N 2.81Å | ||
| 572 | P | 75 | Confident | 82.5 | Confident | 75 Ų | 75 | 41.3 Ų | 41.3 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 133.2 | 175.2 | -26.3 | 33.7 | 0 | 0 | 0 | 112.1 | K541 V574 | K541-P572 WeakPolarHBondContact O-CG 3.46Å; P572-V574 VanDerWaalsContact C-N 3.32Å; P572-V574 PolarHBondContact O-N 3.36Å |
| 573 | G | 73.2 | Confident | 82.4 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -13.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | A376 E571 I575 | A376-G573 WeakPolarHBondContact CB-O 3.24Å; A376-G573 PolarHBondContact N-O 3.4Å; E571-G573 PolarHBondContact O-N 3.44Å; G573-I575 PolarHBondContact O-N 3.41Å |
| 574 | V | 80.7 | Confident | 82.3 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 124.3 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | A372 Y375 R509 E571 P572 E576 A577 | A372-V574 HydrophobicContact CB-CG1 3.66Å; A372-V574 HydrophobicContact CB-CG2 4.44Å; Y375-V574 HydrophobicContact CD1-CG2 4.32Å; Y375-V574 HydrophobicContact CE1-CG2 4.17Å; R509-V574 PolarHBondContact NE-O 3.24Å; E571-V574 HydrophobicContact CB-CG2 4.06Å; E571-V574 WeakPolarHBondContact O-CB 3.33Å; E571-V574 PolarHBondContact O-N 2.81Å; P572-V574 VanDerWaalsContact C-N 3.32Å; P572-V574 PolarHBondContact O-N 3.36Å; V574-E576 WeakPolarHBondContact CG1-O 3.39Å; V574-A577 HydrophobicContact CG1-CB 4.36Å |
| 575 | I | 78 | Confident | 81.9 | Confident | 25 Ų | 25 | 34.8 Ų | 34.8 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | trans | -94.6 | -43 | 176.3 | -69.7 | 167.5 | 0 | 0 | 0 | 111 | I374 A376 I477 V508 R509 G573 | I374-I575 HydrophobicContact CB-CB 4.12Å; I374-I575 HydrophobicContact CB-CG2 4.48Å; I374-I575 HydrophobicContact CG2-CB 3.86Å; I374-I575 HydrophobicContact CG2-CD1 3.63Å; I374-I575 HydrophobicContact CG2-CG1 4.29Å; I374-I575 HydrophobicContact CG2-CG2 4.19Å; I374-I575 PolarHBondContact O-N 2.89Å; I374-I575 VanDerWaalsContact O-N 3.08Å; A376-I575 HydrophobicContact CB-CD1 3.58Å; A376-I575 HydrophobicContact CB-CG1 3.79Å; I477-I575 HydrophobicContact CG2-CD1 3.51Å; V508-I575 CarbonylContact C-O 3.53Å; V508-I575 WeakPolarHBondContact CA-O 3.11Å; V508-I575 HydrophobicContact CG1-CG2 4.18Å; R509-I575 PolarHBondContact N-O 2.94Å; G573-I575 PolarHBondContact O-N 3.41Å | ||
| 576 | E | 81.2 | Confident | 81 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.8 | -177.5 | -169.7 | -179 | 161.5 | 0 | 0 | 109.4 | A372 T373 I374 L507 V508 V574 Y578 | A372-E576 WeakPolarHBondContact CB-O 3.48Å; T373-E576 PolarHBondContact OG1-OE1 3.4Å; T373-E576 PolarHBondContact OG1-OE2 3.29Å; I374-E576 HydrophobicContact CB-CB 4.27Å; I374-E576 WeakPolarHBondContact CD1-OE2 3.17Å; I374-E576 HydrophobicContact CG1-CB 4.39Å; L507-E576 CarbonylContact O-C 3.54Å; L507-E576 VanDerWaalsContact O-CA 3.31Å; L507-E576 WeakPolarHBondContact O-CA 3.32Å; V508-E576 HydrophobicContact CG2-CB 4.29Å; V508-E576 HydrophobicContact CG2-CG 4Å; V574-E576 WeakPolarHBondContact CG1-O 3.39Å; E576-Y578 HydrophobicContact CG-CE1 4.47Å; E576-Y578 WeakPolarHBondContact OE1-CE1 3.17Å; E576-Y578 PolarHBondContact OE1-OH 2.97Å |
| 577 | A | 83.3 | Confident | 79.8 | Confident | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 168 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L507 L568 L570 V574 | L507-A577 PolarHBondContact N-O 2.94Å; L507-A577 PolarHBondContact O-N 3.45Å; L568-A577 HydrophobicContact CD2-CB 3.88Å; L570-A577 HydrophobicContact CD1-CB 4.37Å; L570-A577 HydrophobicContact CD2-CB 4.16Å; L570-A577 HydrophobicContact CG-CB 3.86Å; V574-A577 HydrophobicContact CG1-CB 4.36Å |
| 578 | Y | 84.2 | Confident | 78.7 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.5 | -172.8 | -59 | -73.5 | 0 | 0 | 0 | 111.5 | T373 R504 I505 P506 E576 | T373-Y578 HydrophobicContact CG2-CE2 4.49Å; T373-Y578 WeakPolarHBondContact CG2-OH 3.5Å; T373-Y578 PolarHBondContact OG1-OH 3.11Å; R504-Y578 HydrophobicContact CG-CD1 3.49Å; R504-Y578 VanDerWaalsContact CG-CD1 3.49Å; R504-Y578 HydrophobicContact CG-CE1 4.31Å; R504-Y578 HydrophobicContact CG-CG 3.83Å; I505-Y578 WeakPolarHBondContact O-CA 3.41Å; P506-Y578 HydrophobicContact CB-CD1 4.06Å; P506-Y578 HydrophobicContact CB-CE1 3.87Å; E576-Y578 HydrophobicContact CG-CE1 4.47Å; E576-Y578 WeakPolarHBondContact OE1-CE1 3.17Å; E576-Y578 PolarHBondContact OE1-OH 2.97Å |
| 579 | I | 87.2 | Confident | 77.7 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.3 | 161.3 | -69.6 | 164.4 | 0 | 0 | 0 | 106.9 | F489 I505 L507 W548 L568 I581 L599 | F489-I579 HydrophobicContact CE1-CD1 4.2Å; I505-I579 HydrophobicContact CB-CB 4.4Å; I505-I579 PolarHBondContact N-O 3.3Å; I505-I579 PolarHBondContact O-N 3.16Å; L507-I579 HydrophobicContact CD1-CB 4.16Å; L507-I579 HydrophobicContact CD1-CD1 3.67Å; L507-I579 HydrophobicContact CD1-CG1 3.55Å; L507-I579 HydrophobicContact CD2-CD1 3.98Å; L507-I579 HydrophobicContact CG-CD1 4.36Å; W548-I579 HydrophobicContact CB-CD1 3.77Å; W548-I579 HydrophobicContact CD2-CD1 3.88Å; W548-I579 HydrophobicContact CD2-CG1 4.32Å; W548-I579 HydrophobicContact CD2-CG2 3.99Å; W548-I579 HydrophobicContact CE3-CG2 4.13Å; W548-I579 HydrophobicContact CG-CD1 3.46Å; W548-I579 VanDerWaalsContact CG-CD1 3.46Å; W548-I579 HydrophobicContact CG-CG1 4.19Å; W548-I579 HydrophobicContact CH2-CG2 3.97Å; W548-I579 HydrophobicContact CZ2-CG2 3.81Å; W548-I579 HydrophobicContact CZ3-CG2 4.12Å; L568-I579 HydrophobicContact CD2-CG1 4.15Å; I579-I581 HydrophobicContact CG2-CD1 4.1Å; I579-I581 HydrophobicContact CG2-CG1 3.83Å; I579-L599 HydrophobicContact CD1-CD2 4.33Å |
| 580 | D | 83.8 | Confident | 77.1 | Confident | 48 Ų | 48 | 45.4 Ų | 45.4 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.9 | 173.5 | -59.1 | -53.7 | 0 | 0 | 0 | 109.4 | R392 F502 V503 R504 | R392-D580 IonicContact CZ-OD2 3.47Å; R392-D580 IonicContact NH1-OD1 3.5Å; R392-D580 IonicContact NH1-OD2 3.48Å; R392-D580 PolarHBondContact NH1-OD2 2.84Å; R392-D580 IonicContact NH2-OD2 2.72Å; R392-D580 PolarHBondContact NH2-OD2 3.38Å; F502-D580 HydrophobicContact CD2-CB 4.45Å; V503-D580 WeakPolarHBondContact O-CA 3.26Å; R504-D580 WeakPolarHBondContact CB-OD1 3.43Å; R504-D580 WeakPolarHBondContact CG-OD1 3.49Å; R504-D580 IonicContact CZ-OD1 2.88Å; R504-D580 IonicContact NE-OD1 3.43Å; R504-D580 PolarHBondContact NE-OD1 3.01Å; R504-D580 IonicContact NH2-OD1 3.12Å; R504-D580 IonicContact NH2-OD2 3.4Å |
| 581 | I | 84.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.8 | 178.2 | -60.2 | 175 | 0 | 0 | 0 | 107.5 | F502 V503 I505 W548 T550 Y561 I579 I583 F595 V597 | F502-I581 CarbonylContact C-O 3.45Å; F502-I581 WeakPolarHBondContact CA-O 3.1Å; F502-I581 WeakPolarHBondContact CB-O 3.41Å; V503-I581 HydrophobicContact CG1-CB 3.8Å; V503-I581 PolarHBondContact N-O 3.42Å; V503-I581 PolarHBondContact O-N 3.24Å; I505-I581 HydrophobicContact CD1-CD1 3.94Å; W548-I581 HydrophobicContact CH2-CD1 4.43Å; W548-I581 HydrophobicContact CH2-CG1 4.15Å; W548-I581 HydrophobicContact CZ3-CD1 3.96Å; W548-I581 HydrophobicContact CZ3-CG1 4.18Å; T550-I581 HydrophobicContact CG2-CD1 3.68Å; Y561-I581 HydrophobicContact CD2-CG2 4Å; I579-I581 HydrophobicContact CG2-CD1 4.1Å; I579-I581 HydrophobicContact CG2-CG1 3.83Å; I581-I583 PolarHBondContact O-N 3.47Å; I581-F595 HydrophobicContact CD1-CE2 3.83Å; I581-F595 HydrophobicContact CD1-CZ 4.37Å; I581-F595 HydrophobicContact CG2-CE2 4.22Å; I581-F595 HydrophobicContact CG2-CZ 4.08Å; I581-V597 HydrophobicContact CD1-CG1 4.29Å; I581-V597 HydrophobicContact CD1-CG2 3.5Å; I581-V597 VanDerWaalsContact CD1-CG2 3.5Å |
| 582 | P | 81.9 | Confident | 77.3 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 134.2 | 173.4 | -20.2 | 30 | 0 | 0 | 0 | 111.4 | Y561 I562 | Y561-P582 WeakPolarHBondContact CA-O 3.41Å; I562-P582 HydrophobicContact CB-CB 4.15Å; I562-P582 HydrophobicContact CB-CG 4.39Å; I562-P582 HydrophobicContact CD1-CB 4.45Å; I562-P582 PolarHBondContact N-O 3.2Å; I562-P582 WeakPolarHBondContact O-CD 3.26Å |
| 583 | I | 82.9 | Confident | 78 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -103.1 | 132.5 | 171.9 | -57.9 | -57.1 | 0 | 0 | 0 | 106.6 | V496 G501 V503 I581 F595 I617 | V496-I583 HydrophobicContact CG1-CD1 4.23Å; V496-I583 HydrophobicContact CG1-CG1 4.02Å; V496-I583 HydrophobicContact CG2-CG1 4.26Å; G501-I583 CarbonylContact C-O 3.59Å; G501-I583 PolarHBondContact O-N 3.02Å; V503-I583 HydrophobicContact CB-CG1 4.47Å; V503-I583 HydrophobicContact CG1-CD1 4.15Å; I581-I583 PolarHBondContact O-N 3.47Å; I583-F595 HydrophobicContact CD1-CE1 3.72Å; I583-F595 HydrophobicContact CD1-CZ 4Å; I583-I617 HydrophobicContact CD1-CD1 4Å; I583-I617 HydrophobicContact CD1-CG1 4.17Å; I583-I617 HydrophobicContact CG2-CD1 4.16Å; I583-I617 HydrophobicContact CG2-CG1 4.44Å; I583-I617 HydrophobicContact CG2-CG2 4.12Å |
| 584 | V | 74.9 | Confident | 78.9 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 137.3 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | E559 D560 I562 | E559-V584 WeakPolarHBondContact O-CB 3.45Å; E559-V584 VanDerWaalsContact O-CG1 3.23Å; E559-V584 WeakPolarHBondContact O-CG1 3.37Å; E559-V584 VanDerWaalsContact O-CG2 3.28Å; E559-V584 WeakPolarHBondContact O-CG2 3.37Å; D560-V584 PolarHBondContact O-N 3.2Å; I562-V584 HydrophobicContact CD1-CG2 4.1Å; I562-V584 HydrophobicContact CG1-CG2 3.81Å |
| 585 | N | 74.8 | Confident | 79.6 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | trans | -114.7 | 107.2 | 171.7 | 172.9 | -83.4 | 0 | 0 | 0 | 105.7 | E498 S499 Y587 | E498-N585 HydrophobicContact CB-CB 4.29Å; S499-N585 PolarHBondContact N-ND2 2.82Å; N585-Y587 WeakPolarHBondContact OD1-CE2 3.48Å | ||
| 586 | D | 66 | Low | 80.4 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | trans | -104.5 | 2.7 | -173.8 | 56.8 | 7.7 | 0 | 0 | 0 | 113.5 | E588 | D586-E588 PolarHBondContact O-N 3.07Å; D586-E588 VanDerWaalsContact O-N 3.11Å | ||
| 587 | Y | 63.7 | Low | 81 | Confident | 162 Ų | 162 | 53.3 Ų | 53.3 | 64% | 0.635 | 27% | 0.269 | S | S | * | . | trans | 60.8 | 10.3 | 177.9 | -62 | -82.3 | 0 | 0 | 0 | 113.9 | N585 D621 | N585-Y587 WeakPolarHBondContact OD1-CE2 3.48Å; Y587-D621 WeakPolarHBondContact CA-OD2 3.33Å; Y587-D621 PolarHBondContact N-OD2 3.4Å; Y587-D621 VanDerWaalsContact N-OD2 3.11Å | ||
| 588 | E | 63.3 | Low | 81.6 | Confident | 128 Ų | 128 | 53.7 Ų | 53.7 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | trans | -92.8 | 129.6 | 176.7 | -65.6 | -163.9 | -179.7 | 0 | 0 | 108.8 | D586 E590 | D586-E588 PolarHBondContact O-N 3.07Å; D586-E588 VanDerWaalsContact O-N 3.11Å; E588-E590 WeakPolarHBondContact O-CG 3.5Å; E588-E590 PolarHBondContact O-N 2.79Å | ||
| 589 | P | 65.9 | Low | 82 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | trans | -73.4 | 99.4 | -179.2 | 26.3 | -31.9 | 0 | 0 | 0 | 111 | Q622 | P589-Q622 HydrophobicContact CB-CG 4.03Š| ||
| 590 | E | 72.5 | Confident | 82.2 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | trans | -94.2 | -173.8 | -179.4 | -57.4 | -164.1 | 137.9 | 0 | 0 | 113.6 | E588 N619 | E588-E590 WeakPolarHBondContact O-CG 3.5Å; E588-E590 PolarHBondContact O-N 2.79Å; E590-N619 PolarHBondContact N-ND2 3.01Å; E590-N619 VanDerWaalsContact N-ND2 3.19Å; E590-N619 PolarHBondContact O-ND2 3.04Å | ||
| 591 | K | 81.2 | Confident | 82.4 | Confident | 177 Ų | 177 | 56.1 Ų | 56.1 | 77% | 0.77 | 29% | 0.291 | S | S | * | . | trans | -92.5 | 166.6 | 165.3 | -74.3 | 178.9 | -179.7 | 171.4 | 0 | 108.2 | E593 | K591-E593 WeakPolarHBondContact O-CG 3.22Å; K591-E593 PolarHBondContact O-N 3.31Å | ||
| 592 | D | 85.5 | Confident | 82.5 | Confident | 97 Ų | 97 | 57 Ų | 57 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | trans | -56.4 | 116.5 | 169.5 | -67.5 | -12.4 | 0 | 0 | 0 | 109.6 | T616 I617 N619 | D592-T616 HydrophobicContact CB-CG2 4.13Å; D592-I617 CarbonylContact C-O 3.57Å; D592-I617 WeakPolarHBondContact CA-O 3.43Å; D592-N619 PolarHBondContact OD1-N 2.82Å | ||
| 593 | E | 89.2 | Confident | 82.5 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 156.8 | -174.6 | -55.1 | -141.5 | 134.1 | 0 | 0 | 111.3 | S554 A555 D560 K591 T616 I617 | S554-E593 WeakPolarHBondContact OG-CA 3.39Å; A555-E593 VanDerWaalsContact CA-OE2 3.22Å; A555-E593 WeakPolarHBondContact CA-OE2 3.31Å; A555-E593 HydrophobicContact CB-CB 3.79Å; D560-E593 VanDerWaalsContact CG-OE2 3.3Å; K591-E593 WeakPolarHBondContact O-CG 3.22Å; K591-E593 PolarHBondContact O-N 3.31Å; E593-T616 CarbonylContact O-C 3.6Å; E593-T616 VanDerWaalsContact O-CA 3.29Å; E593-T616 WeakPolarHBondContact O-CA 3.45Å; E593-I617 PolarHBondContact N-O 3.46Å; E593-I617 PolarHBondContact O-N 3.44Å |
| 594 | T | 93 | Very high | 82.1 | Confident | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141 | -175.6 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | G553 S554 A555 V614 V615 T616 | G553-T594 CarbonylContact C-O 3.45Å; G553-T594 VanDerWaalsContact C-O 3.29Å; G553-T594 WeakPolarHBondContact CA-O 3.23Å; G553-T594 PolarHBondContact N-O 3.31Å; S554-T594 PolarHBondContact N-O 2.98Å; S554-T594 PolarHBondContact OG-N 2.93Å; S554-T594 PolarHBondContact OG-OG1 2.91Å; S554-T594 VanDerWaalsContact OG-OG1 3.07Å; A555-T594 PolarHBondContact N-O 3.44Å; T594-V614 HydrophobicContact CG2-CG1 4.36Å; T594-V615 WeakPolarHBondContact CA-O 3.45Å; T594-T616 HydrophobicContact CG2-CG2 4.1Å |
| 595 | F | 94.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 164.9 | 164.9 | 69.2 | -84.4 | 0 | 0 | 0 | 109.4 | V503 T550 A555 Y561 I581 I583 V597 V615 I617 | V503-F595 HydrophobicContact CG1-CZ 3.95Å; T550-F595 HydrophobicContact CG2-CD2 4.29Å; T550-F595 HydrophobicContact CG2-CE2 4.24Å; A555-F595 HydrophobicContact CB-CB 4.18Å; A555-F595 HydrophobicContact CB-CD1 4.2Å; Y561-F595 HydrophobicContact CD1-CB 4.07Å; Y561-F595 AromaticContact CD1-CD1 3.84Å; Y561-F595 HydrophobicContact CD1-CD1 3.84Å; Y561-F595 HydrophobicContact CD1-CD2 4.41Å; Y561-F595 HydrophobicContact CD1-CE1 4.36Å; Y561-F595 AromaticContact CD1-CG 3.86Å; Y561-F595 HydrophobicContact CD1-CG 3.86Å; Y561-F595 HydrophobicContact CD2-CD2 4.17Å; Y561-F595 HydrophobicContact CD2-CE2 4.18Å; Y561-F595 HydrophobicContact CD2-CG 4.42Å; Y561-F595 HydrophobicContact CD2-CZ 4.43Å; Y561-F595 HydrophobicContact CE1-CB 3.58Å; Y561-F595 HydrophobicContact CE1-CD1 4.24Å; Y561-F595 HydrophobicContact CE1-CD2 4.28Å; Y561-F595 AromaticContact CE1-CG 3.79Å; Y561-F595 HydrophobicContact CE1-CG 3.79Å; Y561-F595 HydrophobicContact CE2-CD2 4.04Å; Y561-F595 HydrophobicContact CE2-CE2 4.4Å; Y561-F595 HydrophobicContact CE2-CG 4.37Å; Y561-F595 HydrophobicContact CG-CD1 4.08Å; Y561-F595 HydrophobicContact CG-CD2 4.35Å; Y561-F595 HydrophobicContact CG-CE1 4.16Å; Y561-F595 HydrophobicContact CG-CE2 4.43Å; Y561-F595 HydrophobicContact CG-CG 4.17Å; Y561-F595 HydrophobicContact CG-CZ 4.32Å; I581-F595 HydrophobicContact CD1-CE2 3.83Å; I581-F595 HydrophobicContact CD1-CZ 4.37Å; I581-F595 HydrophobicContact CG2-CE2 4.22Å; I581-F595 HydrophobicContact CG2-CZ 4.08Å; I583-F595 HydrophobicContact CD1-CE1 3.72Å; I583-F595 HydrophobicContact CD1-CZ 4Å; F595-V597 HydrophobicContact CD2-CG2 4.09Å; F595-V597 HydrophobicContact CE2-CG2 3.69Å; F595-V615 HydrophobicContact CD1-CB 3.99Å; F595-V615 HydrophobicContact CD1-CG1 4.21Å; F595-V615 HydrophobicContact CD2-CB 4.43Å; F595-V615 HydrophobicContact CE1-CB 3.57Å; F595-V615 HydrophobicContact CE1-CG1 3.43Å; F595-V615 VanDerWaalsContact CE1-CG1 3.43Å; F595-V615 HydrophobicContact CE1-CG2 4.27Å; F595-V615 HydrophobicContact CE2-CB 4.05Å; F595-V615 HydrophobicContact CE2-CG2 3.93Å; F595-V615 HydrophobicContact CG-CB 4.41Å; F595-V615 HydrophobicContact CZ-CB 3.61Å; F595-V615 HydrophobicContact CZ-CG1 3.65Å; F595-V615 HydrophobicContact CZ-CG2 3.77Å; F595-V615 PolarHBondContact N-O 3.45Å; F595-V615 PolarHBondContact O-N 3.42Å; F595-I617 HydrophobicContact CD1-CD1 4.04Å; F595-I617 HydrophobicContact CD1-CG1 4.32Å; F595-I617 HydrophobicContact CE1-CD1 3.99Å; F595-I617 HydrophobicContact CE1-CG1 4.11Å |
| 596 | T | 94.9 | Very high | 82.5 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.6 | -177.1 | 63 | 0 | 0 | 0 | 0 | 111.5 | T550 E551 V613 V614 | T550-T596 CarbonylContact C-O 3.57Å; T550-T596 VanDerWaalsContact CA-O 3.3Å; T550-T596 WeakPolarHBondContact CA-O 3.35Å; E551-T596 PolarHBondContact N-O 2.73Å; E551-T596 PolarHBondContact O-N 3.12Å; E551-T596 PolarHBondContact O-OG1 3.22Å; T596-V613 WeakPolarHBondContact CA-O 3.36Å; T596-V614 HydrophobicContact CG2-CG2 4.2Å |
| 597 | V | 94.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.1 | 175.5 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | F489 I505 W548 K549 T550 I581 F595 V612 V613 V615 | F489-V597 VanDerWaalsContact CE2-O 3.3Å; F489-V597 WeakPolarHBondContact CE2-O 3.48Å; F489-V597 HydrophobicContact CZ-CB 4.28Å; F489-V597 HydrophobicContact CZ-CG1 4.02Å; I505-V597 HydrophobicContact CD1-CB 4.07Å; I505-V597 HydrophobicContact CD1-CG1 4.38Å; I505-V597 HydrophobicContact CD1-CG2 3.53Å; W548-V597 HydrophobicContact CE3-CG1 3.9Å; K549-V597 WeakPolarHBondContact O-CA 3.34Å; T550-V597 HydrophobicContact CG2-CG2 4.03Å; I581-V597 HydrophobicContact CD1-CG1 4.29Å; I581-V597 HydrophobicContact CD1-CG2 3.5Å; I581-V597 VanDerWaalsContact CD1-CG2 3.5Å; F595-V597 HydrophobicContact CD2-CG2 4.09Å; F595-V597 HydrophobicContact CE2-CG2 3.69Å; V597-V612 WeakPolarHBondContact O-CA 3.49Å; V597-V613 HydrophobicContact CB-CG1 3.71Å; V597-V613 HydrophobicContact CG2-CG1 4.27Å; V597-V613 PolarHBondContact N-O 3.35Å; V597-V613 PolarHBondContact O-N 3.25Å; V597-V615 HydrophobicContact CG2-CG2 4.29Å |
| 598 | T | 94.7 | Very high | 84.4 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.7 | -172.6 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | W548 K549 L600 R611 V612 | W548-T598 CarbonylContact C-O 3.59Å; W548-T598 VanDerWaalsContact CA-O 3.28Å; W548-T598 WeakPolarHBondContact CA-O 3.44Å; K549-T598 PolarHBondContact N-O 3.32Å; K549-T598 PolarHBondContact O-N 3.35Å; T598-L600 HydrophobicContact CG2-CD2 4.42Å; T598-R611 HydrophobicContact CG2-CG 4.24Å; T598-V612 HydrophobicContact CG2-CG2 4.19Å |
| 599 | L | 92.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134 | 169.7 | -52.5 | 179.9 | 0 | 0 | 0 | 109.9 | I487 F489 L507 V546 W548 I579 I607 R611 | I487-L599 HydrophobicContact CG2-CD1 4.49Å; F489-L599 HydrophobicContact CD2-CD1 4.4Å; F489-L599 HydrophobicContact CD2-CG 4.31Å; F489-L599 HydrophobicContact CE1-CD2 3.93Å; F489-L599 HydrophobicContact CE1-CG 4.41Å; F489-L599 HydrophobicContact CE2-CD1 4.27Å; F489-L599 HydrophobicContact CE2-CD2 3.99Å; F489-L599 HydrophobicContact CE2-CG 3.71Å; F489-L599 HydrophobicContact CZ-CD1 4.44Å; F489-L599 HydrophobicContact CZ-CD2 3.49Å; F489-L599 VanDerWaalsContact CZ-CD2 3.49Å; F489-L599 HydrophobicContact CZ-CG 3.76Å; L507-L599 HydrophobicContact CD2-CD1 4.03Å; L507-L599 HydrophobicContact CD2-CD2 3.48Å; L507-L599 VanDerWaalsContact CD2-CD2 3.48Å; L507-L599 HydrophobicContact CD2-CG 4.4Å; V546-L599 HydrophobicContact CG1-CD2 3.95Å; W548-L599 HydrophobicContact CB-CD2 4.14Å; I579-L599 HydrophobicContact CD1-CD2 4.33Å; L599-I607 HydrophobicContact CB-CD1 3.89Å; L599-I607 HydrophobicContact CB-CG1 4.36Å; L599-I607 HydrophobicContact CB-CG2 4.11Å; L599-I607 HydrophobicContact CD1-CG2 4.28Å; L599-R611 HydrophobicContact CB-CG 4.33Å; L599-R611 PolarHBondContact N-O 3.37Å; L599-R611 PolarHBondContact O-NE 3.21Å; L599-R611 PolarHBondContact O-NH2 3.06Å |
| 600 | L | 91.1 | Very high | 86.4 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 41% | 0.414 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -56.1 | -174.8 | -62.9 | -178.7 | 0 | 0 | 0 | 112.9 | Q547 K549 T598 I607 | Q547-L600 HydrophobicContact CB-CB 3.99Å; Q547-L600 PolarHBondContact O-N 3.45Å; K549-L600 HydrophobicContact CB-CD1 3.97Å; K549-L600 HydrophobicContact CB-CD2 4.37Å; K549-L600 HydrophobicContact CB-CG 4.24Å; T598-L600 HydrophobicContact CG2-CD2 4.42Å; L600-I607 VanDerWaalsContact O-CD1 3.28Å; L600-I607 WeakPolarHBondContact O-CD1 3.14Å |
| 601 | S | 88.7 | Confident | 87.3 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 43% | 0.427 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 157.7 | 179.2 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | V546 Q547 | V546-S601 WeakPolarHBondContact CA-O 3.2Å; Q547-S601 PolarHBondContact N-O 3.29Å |
| 602 | C | 85.5 | Confident | 87.9 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.4 | 173 | 173.7 | 0 | 0 | 0 | 0 | 108.8 | I487 T545 V546 A604 G605 | I487-C602 HydrophobicContact CD1-CB 4.33Å; I487-C602 WeakPolarHBondContact CD1-SG 3.49Å; T545-C602 WeakPolarHBondContact O-CA 3.47Å; V546-C602 HydrophobicContact CG2-CB 4.44Å; C602-A604 VanDerWaalsContact C-N 3.3Å; C602-A604 PolarHBondContact O-N 3.4Å; C602-G605 WeakPolarHBondContact CB-O 3.41Å |
| 603 | T | 83.3 | Confident | 88.2 | Confident | 104 Ų | 104 | 40.8 Ų | 40.8 | 64% | 0.638 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -68.8 | -22.4 | -173.6 | 51 | 0 | 0 | 0 | 0 | 115 | T545 | T545-T603 PolarHBondContact N-OG1 3.15Å; T545-T603 PolarHBondContact O-N 2.85Å |
| 604 | A | 73.3 | Confident | 88.4 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -130.2 | 8.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M485 I513 V542 C544 C602 | M485-A604 HydrophobicContact CE-CB 3.85Å; M485-A604 WeakPolarHBondContact CE-O 3.36Å; I513-A604 HydrophobicContact CD1-CB 4.26Å; V542-A604 HydrophobicContact CG1-CB 4.2Å; C544-A604 HydrophobicContact CB-CB 4.07Å; C602-A604 VanDerWaalsContact C-N 3.3Å; C602-A604 PolarHBondContact O-N 3.4Å |
| 605 | G | 74.6 | Confident | 88.4 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -165 | -177.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M485 C602 | M485-G605 WeakPolarHBondContact O-CA 3.45Å; C602-G605 WeakPolarHBondContact CB-O 3.41Å |
| 606 | S | 83.8 | Confident | 88.2 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 162.5 | 177.4 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | M485 S486 I487 | M485-S606 PolarHBondContact O-N 3.39Å; M485-S606 PolarHBondContact O-OG 3.31Å; S486-S606 CarbonylContact C-O 3.59Å; S486-S606 VanDerWaalsContact CA-O 3.23Å; S486-S606 WeakPolarHBondContact CA-O 3.02Å; S486-S606 WeakPolarHBondContact CB-OG 3.31Å; I487-S606 PolarHBondContact N-O 3.12Å |
| 607 | I | 87 | Confident | 87.8 | Confident | 43 Ų | 43 | 39 Ų | 39 | 22% | 0.221 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.6 | 165 | -65.2 | 172.5 | 0 | 0 | 0 | 107.1 | I487 L599 L600 R611 | I487-I607 CarbonylContact O-C 3.57Å; I487-I607 WeakPolarHBondContact O-CA 3.32Å; L599-I607 HydrophobicContact CB-CD1 3.89Å; L599-I607 HydrophobicContact CB-CG1 4.36Å; L599-I607 HydrophobicContact CB-CG2 4.11Å; L599-I607 HydrophobicContact CD1-CG2 4.28Å; L600-I607 VanDerWaalsContact O-CD1 3.28Å; L600-I607 WeakPolarHBondContact O-CD1 3.14Å; I607-R611 HydrophobicContact CG2-CB 3.78Å; I607-R611 HydrophobicContact CG2-CG 3.85Å |
| 608 | G | 83 | Confident | 87.3 | Confident | 17 Ų | 17 | 41 Ų | 41 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | trans | -74 | -172.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I487 N610 | I487-G608 PolarHBondContact O-N 3.49Å; G608-N610 VanDerWaalsContact C-N 3.27Å; G608-N610 PolarHBondContact O-N 3.43Å | ||
| 609 | S | 84.4 | Confident | 86.4 | Confident | 104 Ų | 104 | 41.7 Ų | 41.7 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -67.2 | -26.2 | -173 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | Q488 R611 | Q488-S609 VanDerWaalsContact OE1-N 3.12Å; Q488-S609 PolarHBondContact OE1-OG 3.48Å; S609-R611 PolarHBondContact O-N 2.77Å |
| 610 | N | 87.1 | Confident | 85.3 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | trans | -97.8 | 75.5 | 178.7 | -164.8 | 11.7 | 0 | 0 | 0 | 111.5 | Q488 F489 H491 R492 G608 V612 | Q488-N610 HydrophobicContact CB-CB 4.06Å; F489-N610 PolarHBondContact N-O 2.98Å; F489-N610 WeakPolarHBondContact O-CB 3.11Å; F489-N610 PolarHBondContact O-ND2 3.18Å; H491-N610 PolarHBondContact O-ND2 2.92Å; R492-N610 WeakPolarHBondContact CG-OD1 3.39Å; G608-N610 VanDerWaalsContact C-N 3.27Å; G608-N610 PolarHBondContact O-N 3.43Å; N610-V612 PolarHBondContact OD1-O 3.18Å | ||
| 611 | R | 92.2 | Very high | 83.9 | Confident | 113 Ų | 113 | 41.2 Ų | 41.2 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | trans | -84.3 | -22 | -176.1 | 174.6 | 174 | -178.9 | -175.1 | 2.5 | 114.5 | F489 T598 L599 I607 S609 | F489-R611 VanDerWaalsContact CE2-O 3.26Å; F489-R611 WeakPolarHBondContact CE2-O 3.18Å; T598-R611 HydrophobicContact CG2-CG 4.24Å; L599-R611 HydrophobicContact CB-CG 4.33Å; L599-R611 PolarHBondContact N-O 3.37Å; L599-R611 PolarHBondContact O-NE 3.21Å; L599-R611 PolarHBondContact O-NH2 3.06Å; I607-R611 HydrophobicContact CG2-CB 3.78Å; I607-R611 HydrophobicContact CG2-CG 3.85Å; S609-R611 PolarHBondContact O-N 2.77Å | ||
| 612 | V | 92.2 | Very high | 82.2 | Confident | 65 Ų | 65 | 45.6 Ų | 45.6 | 39% | 0.394 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.1 | -171.9 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | V597 T598 N610 | V597-V612 WeakPolarHBondContact O-CA 3.49Å; T598-V612 HydrophobicContact CG2-CG2 4.19Å; N610-V612 PolarHBondContact OD1-O 3.18Å |
| 613 | V | 92.6 | Very high | 80 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.3 | 171.8 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | F489 R492 E494 I505 T596 V597 | F489-V613 HydrophobicContact CD1-CG1 4.21Å; F489-V613 HydrophobicContact CD2-CB 3.86Å; F489-V613 HydrophobicContact CD2-CG1 3.95Å; F489-V613 HydrophobicContact CE1-CG1 4.03Å; F489-V613 HydrophobicContact CE2-CB 4.13Å; F489-V613 HydrophobicContact CE2-CG1 3.74Å; F489-V613 HydrophobicContact CG-CB 4.07Å; F489-V613 HydrophobicContact CG-CG1 4.17Å; F489-V613 HydrophobicContact CZ-CG1 3.79Å; R492-V613 WeakPolarHBondContact O-CA 3.41Å; E494-V613 HydrophobicContact CB-CG2 4.4Å; E494-V613 HydrophobicContact CG-CG2 3.82Å; I505-V613 HydrophobicContact CD1-CG1 4.01Å; I505-V613 HydrophobicContact CG2-CG1 3.78Å; T596-V613 WeakPolarHBondContact CA-O 3.36Å; V597-V613 HydrophobicContact CB-CG1 3.71Å; V597-V613 HydrophobicContact CG2-CG1 4.27Å; V597-V613 PolarHBondContact N-O 3.35Å; V597-V613 PolarHBondContact O-N 3.25Å |
| 614 | V | 93.9 | Very high | 77.5 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123.1 | 172 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | R492 H493 E494 T594 T596 | R492-V614 PolarHBondContact O-N 3.29Å; H493-V614 CarbonylContact C-O 3.59Å; H493-V614 VanDerWaalsContact CA-O 3.29Å; H493-V614 WeakPolarHBondContact CA-O 3.34Å; H493-V614 PolarHBondContact CD2-O 3.22Å; H493-V614 VanDerWaalsContact CD2-O 3.28Å; E494-V614 PolarHBondContact N-O 2.8Å; T594-V614 HydrophobicContact CG2-CG1 4.36Å; T596-V614 HydrophobicContact CG2-CG2 4.2Å |
| 615 | V | 91.8 | Very high | 75.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.4 | 172.3 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | E494 V496 V503 I505 T594 F595 V597 | E494-V615 HydrophobicContact CB-CG2 4.46Å; E494-V615 CarbonylContact O-C 3.59Å; E494-V615 WeakPolarHBondContact O-CA 2.85Å; V496-V615 HydrophobicContact CG1-CG1 3.86Å; V503-V615 HydrophobicContact CB-CG1 4.19Å; V503-V615 HydrophobicContact CG1-CG1 4.09Å; V503-V615 HydrophobicContact CG1-CG2 4.35Å; V503-V615 HydrophobicContact CG2-CG1 3.95Å; V503-V615 HydrophobicContact CG2-CG2 4.38Å; I505-V615 HydrophobicContact CD1-CG2 3.78Å; I505-V615 HydrophobicContact CG1-CG2 4.39Å; T594-V615 WeakPolarHBondContact CA-O 3.45Å; F595-V615 HydrophobicContact CD1-CB 3.99Å; F595-V615 HydrophobicContact CD1-CG1 4.21Å; F595-V615 HydrophobicContact CD2-CB 4.43Å; F595-V615 HydrophobicContact CE1-CB 3.57Å; F595-V615 HydrophobicContact CE1-CG1 3.43Å; F595-V615 VanDerWaalsContact CE1-CG1 3.43Å; F595-V615 HydrophobicContact CE1-CG2 4.27Å; F595-V615 HydrophobicContact CE2-CB 4.05Å; F595-V615 HydrophobicContact CE2-CG2 3.93Å; F595-V615 HydrophobicContact CG-CB 4.41Å; F595-V615 HydrophobicContact CZ-CB 3.61Å; F595-V615 HydrophobicContact CZ-CG1 3.65Å; F595-V615 HydrophobicContact CZ-CG2 3.77Å; F595-V615 PolarHBondContact N-O 3.45Å; F595-V615 PolarHBondContact O-N 3.42Å; V597-V615 HydrophobicContact CG2-CG2 4.29Å |
| 616 | T | 91.9 | Very high | 73.1 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119 | 170.2 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | H493 E494 Q495 V496 D592 E593 T594 L618 | H493-T616 PolarHBondContact NE2-OG1 3.43Å; E494-T616 PolarHBondContact O-N 2.89Å; Q495-T616 WeakPolarHBondContact CA-O 3.27Å; V496-T616 PolarHBondContact N-O 3.19Å; D592-T616 HydrophobicContact CB-CG2 4.13Å; E593-T616 CarbonylContact O-C 3.6Å; E593-T616 VanDerWaalsContact O-CA 3.29Å; E593-T616 WeakPolarHBondContact O-CA 3.45Å; T594-T616 HydrophobicContact CG2-CG2 4.1Å; T616-L618 HydrophobicContact CG2-CD2 3.94Å |
| 617 | I | 86.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.7 | 169 | -53.9 | 173.5 | 0 | 0 | 0 | 106.4 | V496 E498 A555 D560 I583 D592 E593 F595 | V496-I617 HydrophobicContact CG1-CB 4.49Å; V496-I617 HydrophobicContact CG1-CG1 4.05Å; V496-I617 CarbonylContact O-C 3.57Å; V496-I617 VanDerWaalsContact O-CA 3.31Å; V496-I617 WeakPolarHBondContact O-CA 3.44Å; E498-I617 HydrophobicContact CG-CG2 3.65Å; A555-I617 HydrophobicContact CB-CD1 3.93Å; D560-I617 HydrophobicContact CB-CD1 3.99Å; I583-I617 HydrophobicContact CD1-CD1 4Å; I583-I617 HydrophobicContact CD1-CG1 4.17Å; I583-I617 HydrophobicContact CG2-CD1 4.16Å; I583-I617 HydrophobicContact CG2-CG1 4.44Å; I583-I617 HydrophobicContact CG2-CG2 4.12Å; D592-I617 CarbonylContact C-O 3.57Å; D592-I617 WeakPolarHBondContact CA-O 3.43Å; E593-I617 PolarHBondContact N-O 3.46Å; E593-I617 PolarHBondContact O-N 3.44Å; F595-I617 HydrophobicContact CD1-CD1 4.04Å; F595-I617 HydrophobicContact CD1-CG1 4.32Å; F595-I617 HydrophobicContact CE1-CD1 3.99Å; F595-I617 HydrophobicContact CE1-CG1 4.11Å |
| 618 | L | 83.7 | Confident | 67.8 | Low | 41 Ų | 41 | 78.2 Ų | 78.2 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.4 | 179 | -60.6 | 174.9 | 0 | 0 | 0 | 108.7 | Q495 V496 K497 T616 D620 | Q495-L618 HydrophobicContact CB-CD1 4.25Å; V496-L618 PolarHBondContact O-N 3.41Å; K497-L618 HydrophobicContact CG-CB 4.35Å; T616-L618 HydrophobicContact CG2-CD2 3.94Å; L618-D620 PolarHBondContact O-N 2.68Å |
| 619 | N | 75.2 | Confident | 65.2 | Low | 32 Ų | 32 | 86.8 Ų | 86.8 | 17% | 0.171 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 121.2 | 175 | 172.8 | -2.3 | 0 | 0 | 0 | 109.1 | E590 D592 D621 | E590-N619 PolarHBondContact N-ND2 3.01Å; E590-N619 VanDerWaalsContact N-ND2 3.19Å; E590-N619 PolarHBondContact O-ND2 3.04Å; D592-N619 PolarHBondContact OD1-N 2.82Å; N619-D621 PolarHBondContact OD1-N 3.38Å |
| 620 | D | 69 | Low | 62.6 | Low | 40 Ų | 40 | 87.1 Ų | 87.1 | 21% | 0.214 | 43% | 0.428 | C | S | . | . | trans | -123.6 | 12 | 170.2 | 75.5 | -37.5 | 0 | 0 | 0 | 115 | K497 E498 S499 L618 Q622 | K497-D620 HydrophobicContact CB-CB 4.45Å; K497-D620 HydrophobicContact CD-CB 4.25Å; E498-D620 PolarHBondContact N-OD1 3.26Å; E498-D620 PolarHBondContact OE2-N 3.07Å; S499-D620 WeakPolarHBondContact CB-OD2 3.5Å; S499-D620 PolarHBondContact N-OD1 3.15Å; S499-D620 VanDerWaalsContact N-OD1 3.07Å; S499-D620 PolarHBondContact OG-OD2 2.88Å; L618-D620 PolarHBondContact O-N 2.68Å; D620-Q622 VanDerWaalsContact C-N 3.31Å; D620-Q622 PolarHBondContact O-N 3.21Å | ||
| 621 | D | 62.6 | Low | 59.9 | Low | 29 Ų | 29 | 94.1 Ų | 94.1 | 16% | 0.155 | 46% | 0.455 | C | S | . | . | trans | -82.5 | -2.9 | 177.9 | -72.3 | -26.6 | 0 | 0 | 0 | 113.6 | Y587 N619 I623 | Y587-D621 WeakPolarHBondContact CA-OD2 3.33Å; Y587-D621 PolarHBondContact N-OD2 3.4Å; Y587-D621 VanDerWaalsContact N-OD2 3.11Å; N619-D621 PolarHBondContact OD1-N 3.38Å; D621-I623 PolarHBondContact O-N 3.11Å | ||
| 622 | Q | 52.1 | Low | 56.9 | Low | 152 Ų | 152 | 96.6 Ų | 96.6 | 71% | 0.71 | 48% | 0.476 | S | S | * | . | trans | -74.9 | 65.8 | 166.8 | -68.2 | -164.7 | -2.7 | 0 | 0 | 112.8 | P589 D620 | P589-Q622 HydrophobicContact CB-CG 4.03Å; D620-Q622 VanDerWaalsContact C-N 3.31Å; D620-Q622 PolarHBondContact O-N 3.21Å | ||
| 623 | I | 40.8 | Very low | 53.9 | Low | 122 Ų | 122 | 97.9 Ų | 97.9 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | trans | -99.8 | 101.4 | 161.8 | -59.1 | 175.7 | 0 | 0 | 0 | 106.8 | D621 R625 | D621-I623 PolarHBondContact O-N 3.11Å; I623-R625 VanDerWaalsContact C-N 3.33Å; I623-R625 PolarHBondContact O-N 3.5Å | ||
| 624 | N | 30 | Very low | 50.9 | Low | 169 Ų | 169 | 105.1 Ų | 105.1 | 90% | 0.904 | 53% | 0.532 | S | S | * | . | trans | -29.1 | 84.5 | 172.9 | -76.3 | -23.1 | 0 | 0 | 0 | 114 | ||||
| 625 | R | 28.6 | Very low | 47.9 | Very low | 189 Ų | 189 | 112 Ų | 112 | 71% | 0.713 | 56% | 0.558 | S | S | * | * | trans | -102.2 | 102.6 | 164.8 | -71.7 | -172.9 | -143 | -163.8 | 9.3 | 106.6 | I623 | I623-R625 VanDerWaalsContact C-N 3.33Å; I623-R625 PolarHBondContact O-N 3.5Å | ||
| 626 | Q | 27.1 | Very low | 44.8 | Very low | 177 Ų | 177 | 115.6 Ų | 115.6 | 83% | 0.827 | 58% | 0.583 | S | S | * | * | trans | 58.6 | 96.3 | 153.2 | -62.8 | 167.1 | -44.2 | 0 | 0 | 116.5 | ||||
| 627 | E | 28.8 | Very low | 41.7 | Very low | 190 Ų | 190 | 119 Ų | 119 | 89% | 0.888 | 61% | 0.612 | S | S | * | * | trans | -147.8 | 135.3 | 134 | -84 | -144 | 158 | 0 | 0 | 113.1 | ||||
| 628 | P | 29.2 | Very low | 38.9 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 75% | 0.753 | 65% | 0.652 | S | S | * | * | trans | -85.5 | 134.6 | -178.5 | 34.9 | -32.8 | 0 | 0 | 0 | 111.9 | ||||
| 629 | Y | 30 | Very low | 36.5 | Very low | 198 Ų | 198 | 132.4 Ų | 132.4 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | -59.1 | 144.4 | 176 | -68.6 | -76.9 | 0 | 0 | 0 | 112.9 | Y255 | Y255-Y629 HydrophobicContact CE2-CD2 4.17Å; Y255-Y629 HydrophobicContact CE2-CG 4.43Å; Y255-Y629 VanDerWaalsContact OH-CB 3.26Å; Y255-Y629 WeakPolarHBondContact OH-CB 3.37Å | ||
| 630 | P | 30.2 | Very low | 34.1 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | -150.4 | 143.8 | 98.4 | 34.7 | -15.4 | 0 | 0 | 0 | 117 | |||||
| 631 | Y | 28.9 | Very low | 32.1 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | trans | -2.4 | 126.3 | 146.1 | -107.9 | -99.1 | 0 | 0 | 0 | 118.8 | L258 | L258-Y631 HydrophobicContact CD1-CE2 4.32Å; L258-Y631 WeakPolarHBondContact CD1-OH 3.14Å | ||
| 632 | L | 28.8 | Very low | 30.4 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | 149.2 | 144.8 | 126.5 | -80.5 | 158.5 | 0 | 0 | 0 | 112.3 | |||||
| 633 | A | 30 | Very low | 29.2 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | 85.3 | 74.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 634 | D | 29.3 | Very low | 28.7 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | 48.9 | 97.7 | 108.9 | -147.8 | 9.1 | 0 | 0 | 0 | 118 | |||||
| 635 | F | 31.6 | Very low | 28.9 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -154.1 | 90.8 | 137.1 | -137.8 | -101 | 0 | 0 | 0 | 111.8 | ||||
| 636 | S | 26.4 | Very low | 29.2 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 52% | 0.524 | 76% | 0.764 | S | S | . | * | trans | 37.8 | 111.6 | 134.5 | 72.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 637 | A | 26.1 | Very low | 29.7 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | 60.7 | 101 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 638 | S | 28.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | S | Bend | -173.3 | 139 | 96.8 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | |||
| 639 | K | 32.9 | Very low | 30.8 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 90% | 0.9 | 72% | 0.715 | S | S | * | * | trans | 95.7 | 65.3 | -179.5 | -74.9 | -175.5 | 173.9 | 173.2 | 0 | 118 | ||||
| 640 | Y | 26.4 | Very low | 31.3 | Very low | 220 Ų | 220 | 124.1 Ų | 124.1 | 86% | 0.863 | 68% | 0.683 | S | S | * | * | trans | -64.6 | 122.2 | 150.1 | -78 | -96.2 | 0 | 0 | 0 | 111.1 | ||||
| 641 | S | 27 | Very low | 32 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | 169.7 | 125.4 | 108.4 | 50.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 642 | L | 27.1 | Very low | 32.5 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 82% | 0.817 | 65% | 0.654 | S | S | * | * | trans | 74.5 | 92 | 173.2 | -77.5 | 94.6 | 0 | 0 | 0 | 119 | I644 | L642-I644 PolarHBondContact O-N 3.13Š| ||
| 643 | G | 25.7 | Very low | 33 | Very low | 85 Ų | 85 | 115.3 Ų | 115.3 | 88% | 0.876 | 63% | 0.629 | S | S | * | * | trans | -57.3 | 116.5 | 162 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 644 | I | 29.7 | Very low | 33.6 | Very low | 83 Ų | 83 | 111.1 Ų | 111.1 | 43% | 0.426 | 59% | 0.594 | S | S | . | * | trans | -116.2 | 99.5 | 165.8 | -59.7 | 178.6 | 0 | 0 | 0 | 105.2 | L642 Q646 S648 Y649 | L642-I644 PolarHBondContact O-N 3.13Å; I644-Q646 PolarHBondContact O-N 3.35Å; I644-S648 WeakPolarHBondContact CG2-OG 3.32Å; I644-Y649 HydrophobicContact CD1-CE2 4.43Å; I644-Y649 HydrophobicContact CG2-CD2 3.88Å; I644-Y649 HydrophobicContact CG2-CE2 4.11Å | ||
| 645 | T | 34.6 | Very low | 34 | Very low | 107 Ų | 107 | 104.7 Ų | 104.7 | 66% | 0.656 | 56% | 0.562 | S | S | * | * | trans | -61.8 | 129.5 | 162.8 | 49.3 | 0 | 0 | 0 | 0 | 107.2 | N647 S648 | T645-N647 PolarHBondContact O-N 3.48Å; T645-S648 PolarHBondContact O-N 2.9Å; T645-S648 PolarHBondContact O-OG 3.49Å | ||
| 646 | Q | 36.2 | Very low | 34.1 | Very low | 167 Ų | 167 | 98.2 Ų | 98.2 | 78% | 0.78 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -51.1 | -19.1 | -175.4 | -82.8 | 174.4 | -28 | 0 | 0 | 114.7 | I644 S648 | I644-Q646 PolarHBondContact O-N 3.35Å; Q646-S648 VanDerWaalsContact C-N 3.33Å; Q646-S648 PolarHBondContact O-N 2.88Å |
| 647 | N | 36.6 | Very low | 34.7 | Very low | 141 Ų | 141 | 97.1 Ų | 97.1 | 75% | 0.754 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -77.5 | -4.8 | 175 | -74.6 | -16.6 | 0 | 0 | 0 | 115.8 | T645 | T645-N647 PolarHBondContact O-N 3.48Š|
| 648 | S | 44.2 | Very low | 35.5 | Very low | 23 Ų | 23 | 95.5 Ų | 95.5 | 16% | 0.161 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -96.7 | -15.1 | -174.8 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | I644 T645 Q646 K651 Q652 | I644-S648 WeakPolarHBondContact CG2-OG 3.32Å; T645-S648 PolarHBondContact O-N 2.9Å; T645-S648 PolarHBondContact O-OG 3.49Å; Q646-S648 VanDerWaalsContact C-N 3.33Å; Q646-S648 PolarHBondContact O-N 2.88Å; S648-K651 PolarHBondContact O-N 2.92Å; S648-Q652 PolarHBondContact O-N 3.21Å |
| 649 | Y | 38 | Very low | 35.9 | Very low | 136 Ų | 136 | 91.5 Ų | 91.5 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 179 | -115.6 | -90.3 | 0 | 0 | 0 | 114.4 | I644 K651 Q652 R653 | I644-Y649 HydrophobicContact CD1-CE2 4.43Å; I644-Y649 HydrophobicContact CG2-CD2 3.88Å; I644-Y649 HydrophobicContact CG2-CE2 4.11Å; Y649-K651 VanDerWaalsContact C-N 3.34Å; Y649-K651 PolarHBondContact O-N 3.34Å; Y649-Q652 PolarHBondContact O-N 3.44Å; Y649-R653 PolarHBondContact O-N 2.88Å; Y649-R653 VanDerWaalsContact O-N 3.16Å |
| 650 | P | 40.4 | Very low | 36.8 | Very low | 15 Ų | 15 | 84.2 Ų | 84.2 | 10% | 0.097 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 178.1 | -18.9 | 31.2 | 0 | 0 | 0 | 112 | V281 T297 L654 | V281-P650 HydrophobicContact CG2-CB 4.31Å; T297-P650 HydrophobicContact CG2-CB 4.17Å; P650-L654 WeakPolarHBondContact O-CB 3.47Å; P650-L654 PolarHBondContact O-N 3.25Å |
| 651 | K | 44.6 | Very low | 37.7 | Very low | 49 Ų | 49 | 75.9 Ų | 75.9 | 21% | 0.213 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | -179.6 | -65.7 | -172.5 | 176.6 | -170.7 | 0 | 112 | D274 D278 S648 Y649 L654 A655 | D274-K651 VanDerWaalsContact CG-NZ 3.3Å; D274-K651 IonicContact OD1-NZ 2.79Å; D274-K651 IonicContact OD2-NZ 3.99Å; D274-K651 PolarHBondContact OD2-NZ 3.43Å; D278-K651 WeakPolarHBondContact OD1-CE 3.38Å; D278-K651 IonicContact OD1-NZ 3.89Å; D278-K651 PolarHBondContact OD1-NZ 2.62Å; D278-K651 VanDerWaalsContact OD1-NZ 3.08Å; D278-K651 IonicContact OD2-NZ 3.7Å; D278-K651 PolarHBondContact OD2-NZ 3.03Å; S648-K651 PolarHBondContact O-N 2.92Å; Y649-K651 VanDerWaalsContact C-N 3.34Å; Y649-K651 PolarHBondContact O-N 3.34Å; K651-L654 PolarHBondContact O-N 3.06Å; K651-A655 VanDerWaalsContact O-CB 3.3Å; K651-A655 WeakPolarHBondContact O-CB 3.36Å; K651-A655 PolarHBondContact O-N 3.46Å |
| 652 | Q | 38.6 | Very low | 39.3 | Very low | 110 Ų | 110 | 71 Ų | 71 | 51% | 0.514 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69 | -44.2 | 176.9 | -73.4 | 177.3 | 2.7 | 0 | 0 | 112.4 | S648 Y649 L654 A655 A656 | S648-Q652 PolarHBondContact O-N 3.21Å; Y649-Q652 PolarHBondContact O-N 3.44Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 3.2Å; Q652-A655 PolarHBondContact O-N 2.78Å; Q652-A656 WeakPolarHBondContact O-CB 3.44Å; Q652-A656 PolarHBondContact O-N 3.41Å |
| 653 | R | 39.9 | Very low | 41.6 | Very low | 91 Ų | 91 | 67 Ų | 67 | 34% | 0.343 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 173.3 | -90.5 | -179 | 78.1 | 148.3 | 0.7 | 112.4 | E294 T297 D298 Y649 A656 A657 | E294-R653 IonicContact OE1-NH1 2.8Å; E294-R653 PolarHBondContact OE1-NH1 3.12Å; T297-R653 HydrophobicContact CG2-CB 3.58Å; T297-R653 HydrophobicContact CG2-CG 4.26Å; D298-R653 IonicContact OD1-CZ 2.69Å; D298-R653 IonicContact OD1-NE 3.97Å; D298-R653 IonicContact OD1-NH2 3.71Å; D298-R653 PolarHBondContact OD1-NH2 2.85Å; D298-R653 IonicContact OD2-NH2 3.69Å; Y649-R653 PolarHBondContact O-N 2.88Å; Y649-R653 VanDerWaalsContact O-N 3.16Å; R653-A656 CarbonylContact O-C 3.5Å; R653-A656 PolarHBondContact O-N 2.72Å; R653-A657 VanDerWaalsContact O-CB 3.3Å; R653-A657 WeakPolarHBondContact O-CB 3.24Å; R653-A657 PolarHBondContact O-N 3.2Å |
| 654 | L | 41.9 | Very low | 44.3 | Very low | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.9 | -37.3 | 177.3 | -171.3 | 73.8 | 0 | 0 | 0 | 112.7 | V277 T301 I304 P650 K651 Q652 A657 R658 | V277-L654 HydrophobicContact CB-CD2 4.17Å; V277-L654 HydrophobicContact CG1-CD2 3.69Å; V277-L654 HydrophobicContact CG2-CD2 3.3Å; T301-L654 HydrophobicContact CG2-CD1 4.12Å; I304-L654 HydrophobicContact CB-CD1 4.06Å; I304-L654 HydrophobicContact CD1-CD1 3.55Å; I304-L654 HydrophobicContact CD1-CD2 3.5Å; I304-L654 VanDerWaalsContact CD1-CD2 3.5Å; I304-L654 HydrophobicContact CD1-CG 4.16Å; I304-L654 HydrophobicContact CG1-CD1 4.41Å; I304-L654 HydrophobicContact CG2-CD1 3.93Å; P650-L654 WeakPolarHBondContact O-CB 3.47Å; P650-L654 PolarHBondContact O-N 3.25Å; K651-L654 PolarHBondContact O-N 3.06Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 3.2Å; L654-A657 PolarHBondContact O-N 3.2Å; L654-R658 WeakPolarHBondContact O-CB 3.13Å; L654-R658 PolarHBondContact O-N 2.75Å |
| 655 | A | 37.4 | Very low | 46.7 | Very low | 18 Ų | 18 | 73.2 Ų | 73.2 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L269 L270 K651 Q652 A657 R658 L659 | L269-A655 HydrophobicContact CD2-CB 3.71Å; L270-A655 HydrophobicContact CD1-CB 4.09Å; K651-A655 VanDerWaalsContact O-CB 3.3Å; K651-A655 WeakPolarHBondContact O-CB 3.36Å; K651-A655 PolarHBondContact O-N 3.46Å; Q652-A655 PolarHBondContact O-N 2.78Å; A655-A657 VanDerWaalsContact C-N 3.27Å; A655-A657 PolarHBondContact O-N 3.24Å; A655-R658 PolarHBondContact O-N 2.94Å; A655-L659 PolarHBondContact O-N 2.73Å |
| 656 | A | 34.5 | Very low | 48.5 | Very low | 63 Ų | 63 | 71.7 Ų | 71.7 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.2 | -22.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q652 R653 L659 | Q652-A656 WeakPolarHBondContact O-CB 3.44Å; Q652-A656 PolarHBondContact O-N 3.41Å; R653-A656 CarbonylContact O-C 3.5Å; R653-A656 PolarHBondContact O-N 2.72Å; A656-L659 CarbonylContact C-O 3.58Å |
| 657 | A | 37.9 | Very low | 50.7 | Low | 53 Ų | 53 | 65 Ų | 65 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -86.3 | -25.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T301 R653 L654 A655 | T301-A657 HydrophobicContact CG2-CB 3.57Å; R653-A657 VanDerWaalsContact O-CB 3.3Å; R653-A657 WeakPolarHBondContact O-CB 3.24Å; R653-A657 PolarHBondContact O-N 3.2Å; L654-A657 PolarHBondContact O-N 3.2Å; A655-A657 VanDerWaalsContact C-N 3.27Å; A655-A657 PolarHBondContact O-N 3.24Å |
| 658 | R | 42.8 | Very low | 53.1 | Low | 53 Ų | 53 | 61.4 Ų | 61.4 | 20% | 0.2 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -98.6 | -26.4 | -177.4 | -80.2 | 173.7 | 163 | 171.1 | -18.5 | 113.9 | N273 Q308 L654 A655 | N273-R658 PolarHBondContact ND2-NH1 3.4Å; N273-R658 PolarHBondContact ND2-NH2 3.34Å; Q308-R658 VanDerWaalsContact CD-NE 3.26Å; L654-R658 WeakPolarHBondContact O-CB 3.13Å; L654-R658 PolarHBondContact O-N 2.75Å; A655-R658 PolarHBondContact O-N 2.94Å |
| 659 | L | 37.5 | Very low | 54.8 | Low | 34 Ų | 34 | 65.3 Ų | 65.3 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -110.8 | 120.5 | 168.4 | -82.8 | 140.6 | 0 | 0 | 0 | 104.8 | R60 L269 A655 A656 A661 | R60-L659 VanDerWaalsContact CD-CD2 3.45Å; L269-L659 HydrophobicContact CD2-CD1 3.36Å; L269-L659 HydrophobicContact CG-CD1 4.21Å; A655-L659 PolarHBondContact O-N 2.73Å; A656-L659 CarbonylContact C-O 3.58Å; L659-A661 PolarHBondContact O-N 3.49Å |
| 660 | D | 50.9 | Low | 56.5 | Low | 55 Ų | 55 | 63.1 Ų | 63.1 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | trans | -59.9 | 81.3 | 152.3 | -95.3 | -31 | 0 | 0 | 0 | 106.2 | R321 S662 R670 | R321-D660 IonicContact CZ-OD2 3.51Å; R321-D660 VanDerWaalsContact CZ-OD2 3.25Å; R321-D660 IonicContact NH1-OD2 3.89Å; R321-D660 PolarHBondContact NH1-OD2 3.24Å; R321-D660 IonicContact NH2-OD2 3.44Å; R321-D660 PolarHBondContact NH2-OD2 3.45Å; D660-S662 PolarHBondContact O-N 2.83Å; D660-R670 IonicContact OD1-CZ 2.75Å; D660-R670 IonicContact OD1-NH1 3.96Å; D660-R670 PolarHBondContact OD1-NH1 3.37Å; D660-R670 IonicContact OD1-NH2 2.87Å; D660-R670 PolarHBondContact OD1-NH2 2.84Å; D660-R670 IonicContact OD2-NH1 2.65Å; D660-R670 PolarHBondContact OD2-NH1 3.18Å; D660-R670 VanDerWaalsContact OD2-NH1 3.07Å | ||
| 661 | A | 46.8 | Very low | 58.7 | Low | 45 Ų | 45 | 62.7 Ų | 62.7 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | trans | -71.6 | 52.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | L659 T663 P707 | L659-A661 PolarHBondContact O-N 3.49Å; A661-T663 PolarHBondContact O-N 3.29Å; A661-P707 HydrophobicContact CB-CG 4.5Å | ||
| 662 | S | 60.7 | Low | 60.6 | Low | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -71.3 | 99.1 | -170.6 | 66.8 | 0 | 0 | 0 | 0 | 106.6 | D660 Q667 P705 | D660-S662 PolarHBondContact O-N 2.83Å; S662-Q667 WeakPolarHBondContact OG-CG 3.43Å; S662-Q667 PolarHBondContact OG-NE2 3.22Å; S662-Q667 VanDerWaalsContact OG-NE2 3.08Å; S662-P705 WeakPolarHBondContact O-CB 3.25Å; S662-P705 WeakPolarHBondContact O-CG 3.31Å | ||
| 663 | T | 74.3 | Confident | 62.6 | Low | 70 Ų | 70 | 60.9 Ų | 60.9 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | trans | -57.7 | 157.4 | 161.2 | 58.7 | 0 | 0 | 0 | 0 | 108.6 | A661 R665 E666 Q667 | A661-T663 PolarHBondContact O-N 3.29Å; T663-R665 PolarHBondContact O-N 3.48Å; T663-R665 VanDerWaalsContact O-N 3.1Å; T663-E666 WeakPolarHBondContact O-CA 3.48Å; T663-E666 WeakPolarHBondContact O-CB 3.45Å; T663-E666 PolarHBondContact O-N 3.27Å; T663-E666 PolarHBondContact OG1-N 3.14Å; T663-Q667 PolarHBondContact O-N 3.38Å | ||
| 664 | W | 83.2 | Confident | 64.6 | Low | 105 Ų | 105 | 58 Ų | 58 | 40% | 0.398 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -48.7 | -39.1 | 172.2 | -76.6 | 120.4 | 0 | 0 | 0 | 112.6 | E666 Q667 M668 A701 L702 V703 P704 P705 | W664-E666 VanDerWaalsContact C-N 3.34Å; W664-E666 PolarHBondContact O-N 2.9Å; W664-Q667 PolarHBondContact O-N 2.7Å; W664-M668 WeakPolarHBondContact O-CG 3.39Å; W664-M668 PolarHBondContact O-N 3.13Å; W664-A701 WeakPolarHBondContact CZ3-O 3.41Å; W664-L702 WeakPolarHBondContact CH2-O 3.49Å; W664-V703 WeakPolarHBondContact CH2-O 3.46Å; W664-V703 VanDerWaalsContact CZ3-N 3.3Å; W664-V703 WeakPolarHBondContact CZ3-O 3.43Å; W664-P704 HydrophobicContact CH2-CB 4.48Å; W664-P704 HydrophobicContact CH2-CG 4.3Å; W664-P704 VanDerWaalsContact CZ2-CA 3.46Å; W664-P704 HydrophobicContact CZ2-CB 4.26Å; W664-P704 HydrophobicContact CZ2-CG 4.18Å; W664-P705 HydrophobicContact CD2-CG 3.99Å; W664-P705 HydrophobicContact CE3-CG 4.39Å; W664-P705 HydrophobicContact CG-CG 4.1Å |
| 665 | R | 79.4 | Confident | 66 | Low | 194 Ų | 194 | 58 Ų | 58 | 73% | 0.732 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.4 | -47.8 | 174.3 | 179.7 | -176.2 | 176.4 | -153.2 | -0.5 | 111.9 | T663 M668 L669 | T663-R665 PolarHBondContact O-N 3.48Å; T663-R665 VanDerWaalsContact O-N 3.1Å; R665-M668 PolarHBondContact O-N 3.37Å; R665-L669 HydrophobicContact CG-CD1 4Å; R665-L669 WeakPolarHBondContact O-CB 3.28Å; R665-L669 VanDerWaalsContact O-CG 3.26Å; R665-L669 WeakPolarHBondContact O-CG 3.5Å; R665-L669 PolarHBondContact O-N 2.95Å |
| 666 | E | 73.9 | Confident | 67.3 | Low | 76 Ų | 76 | 58.3 Ų | 58.3 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 179 | -73.4 | 174.8 | -148.4 | 0 | 0 | 112.5 | T663 W664 L669 R670 | T663-E666 WeakPolarHBondContact O-CA 3.48Å; T663-E666 WeakPolarHBondContact O-CB 3.45Å; T663-E666 PolarHBondContact O-N 3.27Å; T663-E666 PolarHBondContact OG1-N 3.14Å; W664-E666 VanDerWaalsContact C-N 3.34Å; W664-E666 PolarHBondContact O-N 2.9Å; E666-L669 PolarHBondContact O-N 3.46Å; E666-R670 WeakPolarHBondContact O-CB 3.4Å; E666-R670 WeakPolarHBondContact O-CD 3.44Å; E666-R670 WeakPolarHBondContact O-CG 3.2Å; E666-R670 PolarHBondContact O-N 2.98Å; E666-R670 IonicContact OE2-NH2 3.55Å |
| 667 | Q | 81.7 | Confident | 68.8 | Low | 27 Ų | 27 | 57.5 Ų | 57.5 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 174.8 | -64.8 | -172 | -2.9 | 0 | 0 | 111.6 | S662 T663 W664 R670 A671 A701 V703 | S662-Q667 WeakPolarHBondContact OG-CG 3.43Å; S662-Q667 PolarHBondContact OG-NE2 3.22Å; S662-Q667 VanDerWaalsContact OG-NE2 3.08Å; T663-Q667 PolarHBondContact O-N 3.38Å; W664-Q667 PolarHBondContact O-N 2.7Å; Q667-R670 PolarHBondContact O-N 3.31Å; Q667-A671 WeakPolarHBondContact O-CB 3.28Å; Q667-A671 PolarHBondContact O-N 3.06Å; Q667-A701 HydrophobicContact CB-CB 4.1Å; Q667-A701 PolarHBondContact OE1-O 3.16Å; Q667-V703 PolarHBondContact OE1-O 3.24Å; Q667-V703 VanDerWaalsContact OE1-O 3.05Å |
| 668 | M | 86.3 | Confident | 70.3 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | -72.5 | -63.4 | 169.5 | 0 | 0 | 112.1 | W664 R665 R670 A671 V672 A701 L702 | W664-M668 WeakPolarHBondContact O-CG 3.39Å; W664-M668 PolarHBondContact O-N 3.13Å; R665-M668 PolarHBondContact O-N 3.37Å; M668-R670 VanDerWaalsContact C-N 3.3Å; M668-R670 PolarHBondContact O-N 3.33Å; M668-A671 PolarHBondContact O-N 3.13Å; M668-V672 WeakPolarHBondContact O-CG2 3.31Å; M668-V672 PolarHBondContact O-N 3.28Å; M668-V672 VanDerWaalsContact O-N 3.17Å; M668-A701 HydrophobicContact CE-CB 3.79Å; M668-A701 WeakPolarHBondContact CE-O 3.08Å; M668-A701 HydrophobicContact CG-CB 4.41Å; M668-A701 HydrophobicContact SD-CB 3.66Å; M668-L702 HydrophobicContact CE-CD2 3.36Å; M668-L702 HydrophobicContact CE-CG 3.9Å |
| 669 | L | 80.1 | Confident | 71.8 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 56% | 0.555 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.6 | -40.7 | 175.7 | -74 | 170.1 | 0 | 0 | 0 | 111.6 | R665 E666 V672 S673 | R665-L669 HydrophobicContact CG-CD1 4Å; R665-L669 WeakPolarHBondContact O-CB 3.28Å; R665-L669 VanDerWaalsContact O-CG 3.26Å; R665-L669 WeakPolarHBondContact O-CG 3.5Å; R665-L669 PolarHBondContact O-N 2.95Å; E666-L669 PolarHBondContact O-N 3.46Å; L669-V672 PolarHBondContact O-N 3.34Å; L669-S673 WeakPolarHBondContact O-CB 3.34Å; L669-S673 PolarHBondContact O-N 2.86Å; L669-S673 VanDerWaalsContact O-N 3.09Å |
| 670 | R | 74.9 | Confident | 73.5 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.9 | -72.4 | 169.6 | -162.7 | -162.7 | 1.2 | 112.4 | D660 E666 Q667 M668 V672 S673 | D660-R670 IonicContact OD1-CZ 2.75Å; D660-R670 IonicContact OD1-NH1 3.96Å; D660-R670 PolarHBondContact OD1-NH1 3.37Å; D660-R670 IonicContact OD1-NH2 2.87Å; D660-R670 PolarHBondContact OD1-NH2 2.84Å; D660-R670 IonicContact OD2-NH1 2.65Å; D660-R670 PolarHBondContact OD2-NH1 3.18Å; D660-R670 VanDerWaalsContact OD2-NH1 3.07Å; E666-R670 WeakPolarHBondContact O-CB 3.4Å; E666-R670 WeakPolarHBondContact O-CD 3.44Å; E666-R670 WeakPolarHBondContact O-CG 3.2Å; E666-R670 PolarHBondContact O-N 2.98Å; E666-R670 IonicContact OE2-NH2 3.55Å; Q667-R670 PolarHBondContact O-N 3.31Å; M668-R670 VanDerWaalsContact C-N 3.3Å; M668-R670 PolarHBondContact O-N 3.33Å; R670-V672 VanDerWaalsContact C-N 3.26Å; R670-V672 PolarHBondContact O-N 2.84Å; R670-S673 WeakPolarHBondContact CA-OG 3.01Å; R670-S673 PolarHBondContact O-N 3.38Å; R670-S673 VanDerWaalsContact O-N 3.14Å; R670-S673 PolarHBondContact O-OG 3.36Å |
| 671 | A | 84.7 | Confident | 74.6 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 5% | 0.05 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q667 M668 H690 K697 A701 | Q667-A671 WeakPolarHBondContact O-CB 3.28Å; Q667-A671 PolarHBondContact O-N 3.06Å; M668-A671 PolarHBondContact O-N 3.13Å; A671-H690 PolarHBondContact O-CE1 3.37Å; A671-K697 HydrophobicContact CB-CB 3.95Å; A671-A701 HydrophobicContact CB-CB 3.89Å |
| 672 | V | 86.2 | Confident | 76 | Confident | 98 Ų | 98 | 65 Ų | 65 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -83.7 | -16.7 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | M668 L669 R670 F694 | M668-V672 WeakPolarHBondContact O-CG2 3.31Å; M668-V672 PolarHBondContact O-N 3.28Å; M668-V672 VanDerWaalsContact O-N 3.17Å; L669-V672 PolarHBondContact O-N 3.34Å; R670-V672 VanDerWaalsContact C-N 3.26Å; R670-V672 PolarHBondContact O-N 2.84Å; V672-F694 HydrophobicContact CG2-CE2 4.37Å |
| 673 | S | 79.1 | Confident | 77.3 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | trans | -83.8 | 132.5 | -177.3 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | L669 R670 H690 | L669-S673 WeakPolarHBondContact O-CB 3.34Å; L669-S673 PolarHBondContact O-N 2.86Å; L669-S673 VanDerWaalsContact O-N 3.09Å; R670-S673 WeakPolarHBondContact CA-OG 3.01Å; R670-S673 PolarHBondContact O-N 3.38Å; R670-S673 VanDerWaalsContact O-N 3.14Å; R670-S673 PolarHBondContact O-OG 3.36Å; S673-H690 VanDerWaalsContact C-CE1 3.42Å; S673-H690 PolarHBondContact O-CE1 3.06Å; S673-H690 PolarHBondContact O-ND1 3.31Å | ||
| 674 | V | 81.9 | Confident | 77.9 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -85.7 | 139.9 | 167.8 | -174.5 | 0 | 0 | 0 | 0 | 109 | G676 G677 A682 H690 | V674-G676 PolarHBondContact O-N 2.91Å; V674-G677 PolarHBondContact O-N 2.86Å; V674-A682 HydrophobicContact CG1-CB 3.93Å; V674-H690 HydrophobicContact CG1-CB 4.25Å; V674-H690 HydrophobicContact CG2-CB 4.07Å |
| 675 | N | 72.4 | Confident | 78 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | 54.6 | 37.6 | 175.2 | -168.2 | 43.6 | 0 | 0 | 0 | 112.7 | S325 L327 G677 E678 A682 | S325-N675 PolarHBondContact O-N 3.35Å; L327-N675 CarbonylContact O-C 3.6Å; N675-G677 PolarHBondContact O-N 3.05Å; N675-E678 PolarHBondContact ND2-O 3.29Å; N675-E678 PolarHBondContact O-N 3.27Å; N675-A682 HydrophobicContact CB-CB 3.91Å |
| 676 | G | 64.9 | Low | 78.2 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 26% | 0.258 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | 63.9 | 21 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V674 | V674-G676 PolarHBondContact O-N 2.91Š|
| 677 | G | 66.2 | Low | 78.8 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | 102.5 | -6.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V674 N675 I679 | V674-G677 PolarHBondContact O-N 2.86Å; N675-G677 PolarHBondContact O-N 3.05Å; G677-I679 PolarHBondContact O-N 3.45Å |
| 678 | E | 68.4 | Low | 79.2 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 13% | 0.131 | 38% | 0.378 | C | S | . | . | trans | -93.7 | 75 | 179.4 | -68.8 | -175.8 | 175.4 | 0 | 0 | 111.1 | R328 N675 A680 E681 A682 | R328-E678 HydrophobicContact CG-CG 4.31Å; R328-E678 IonicContact CZ-OE1 2.77Å; R328-E678 IonicContact NE-OE1 3.84Å; R328-E678 PolarHBondContact NE-OE1 3.29Å; R328-E678 IonicContact NH2-OE1 2.96Å; R328-E678 PolarHBondContact NH2-OE1 2.91Å; N675-E678 PolarHBondContact ND2-O 3.29Å; N675-E678 PolarHBondContact O-N 3.27Å; E678-A680 PolarHBondContact O-N 2.56Å; E678-E681 PolarHBondContact O-N 2.6Å; E678-A682 PolarHBondContact O-N 3.42Å | ||
| 679 | I | 74.5 | Confident | 79.2 | Confident | 135 Ų | 135 | 62.2 Ų | 62.2 | 69% | 0.692 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -60 | -32.5 | -177.2 | -53.3 | 172.7 | 0 | 0 | 0 | 111.3 | G677 E681 A682 | G677-I679 PolarHBondContact O-N 3.45Å; I679-E681 VanDerWaalsContact C-N 3.29Å; I679-E681 PolarHBondContact O-N 3.5Å; I679-A682 WeakPolarHBondContact O-CB 3.32Å; I679-A682 PolarHBondContact O-N 2.96Å |
| 680 | A | 73.9 | Confident | 79.6 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 88% | 0.884 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -66.1 | -25.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E678 | E678-A680 PolarHBondContact O-N 2.56Š|
| 681 | E | 73.6 | Confident | 80.4 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -107.5 | 4.4 | -179.3 | -63.5 | -173.7 | -169.6 | 0 | 0 | 112.7 | E678 I679 T683 | E678-E681 PolarHBondContact O-N 2.6Å; I679-E681 VanDerWaalsContact C-N 3.29Å; I679-E681 PolarHBondContact O-N 3.5Å; E681-T683 PolarHBondContact O-N 3.39Å |
| 682 | A | 76.9 | Confident | 80.7 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 22% | 0.223 | 38% | 0.383 | C | S | . | . | trans | -70 | 125.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V674 N675 E678 I679 | V674-A682 HydrophobicContact CG1-CB 3.93Å; N675-A682 HydrophobicContact CB-CB 3.91Å; E678-A682 PolarHBondContact O-N 3.42Å; I679-A682 WeakPolarHBondContact O-CB 3.32Å; I679-A682 PolarHBondContact O-N 2.96Å | ||
| 683 | T | 86.2 | Confident | 80.9 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | trans | -85.7 | 161.2 | 174.5 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | E681 P685 D686 C687 | E681-T683 PolarHBondContact O-N 3.39Å; T683-P685 VanDerWaalsContact C-N 3.33Å; T683-D686 WeakPolarHBondContact CB-OD2 3.28Å; T683-D686 PolarHBondContact N-OD2 2.99Å; T683-D686 WeakPolarHBondContact O-CA 3.26Å; T683-D686 VanDerWaalsContact O-CB 3.32Å; T683-D686 WeakPolarHBondContact O-CB 3.46Å; T683-D686 PolarHBondContact O-N 3.25Å; T683-D686 PolarHBondContact OG1-N 3.44Å; T683-D686 PolarHBondContact OG1-OD2 3.16Å; T683-C687 PolarHBondContact O-N 2.95Å | ||
| 684 | I | 87.1 | Confident | 81.5 | Confident | 134 Ų | 134 | 61.5 Ų | 61.5 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53.9 | -44.1 | 176 | -63.1 | 171.3 | 0 | 0 | 0 | 112.1 | D686 C687 L688 | I684-D686 VanDerWaalsContact C-N 3.27Å; I684-D686 PolarHBondContact O-N 2.88Å; I684-C687 PolarHBondContact O-N 3.47Å; I684-L688 HydrophobicContact CG2-CD1 4.07Å; I684-L688 HydrophobicContact CG2-CG 4.34Å; I684-L688 WeakPolarHBondContact O-CG 3.44Å; I684-L688 PolarHBondContact O-N 3.35Å |
| 685 | P | 85.6 | Confident | 82 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.9 | -39 | 171.8 | -26.5 | 35.1 | 0 | 0 | 0 | 113.4 | T683 C687 L688 A689 | T683-P685 VanDerWaalsContact C-N 3.33Å; P685-C687 VanDerWaalsContact C-N 3.33Å; P685-C687 PolarHBondContact O-N 3.35Å; P685-L688 PolarHBondContact O-N 3.44Å; P685-A689 VanDerWaalsContact O-CB 3.29Å; P685-A689 WeakPolarHBondContact O-CB 3.44Å; P685-A689 PolarHBondContact O-N 3.22Å |
| 686 | D | 83.8 | Confident | 83 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 178.7 | -58.5 | -39.9 | 0 | 0 | 0 | 110.5 | S325 K329 T683 I684 H690 | S325-D686 WeakPolarHBondContact CB-O 3.36Å; S325-D686 WeakPolarHBondContact OG-CA 3.28Å; S325-D686 PolarHBondContact OG-O 3.44Å; K329-D686 IonicContact NZ-OD1 3.01Å; K329-D686 IonicContact NZ-OD2 3.89Å; K329-D686 PolarHBondContact NZ-OD2 3.26Å; T683-D686 WeakPolarHBondContact CB-OD2 3.28Å; T683-D686 PolarHBondContact N-OD2 2.99Å; T683-D686 WeakPolarHBondContact O-CA 3.26Å; T683-D686 VanDerWaalsContact O-CB 3.32Å; T683-D686 WeakPolarHBondContact O-CB 3.46Å; T683-D686 PolarHBondContact O-N 3.25Å; T683-D686 PolarHBondContact OG1-N 3.44Å; T683-D686 PolarHBondContact OG1-OD2 3.16Å; I684-D686 VanDerWaalsContact C-N 3.27Å; I684-D686 PolarHBondContact O-N 2.88Å; D686-H690 WeakPolarHBondContact O-CB 3.44Å; D686-H690 PolarHBondContact O-N 3.32Å |
| 687 | C | 87.4 | Confident | 84.2 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 33% | 0.331 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 176.3 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | T683 I684 P685 H690 I691 | T683-C687 PolarHBondContact O-N 2.95Å; I684-C687 PolarHBondContact O-N 3.47Å; P685-C687 VanDerWaalsContact C-N 3.33Å; P685-C687 PolarHBondContact O-N 3.35Å; C687-H690 PolarHBondContact O-N 2.83Å; C687-I691 VanDerWaalsContact O-CG1 3.32Å; C687-I691 WeakPolarHBondContact O-CG1 3.42Å; C687-I691 PolarHBondContact O-N 3.27Å |
| 688 | L | 89.5 | Confident | 85.4 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 178.8 | -71.9 | 174.4 | 0 | 0 | 0 | 111.7 | I684 P685 H690 I691 I692 | I684-L688 HydrophobicContact CG2-CD1 4.07Å; I684-L688 HydrophobicContact CG2-CG 4.34Å; I684-L688 WeakPolarHBondContact O-CG 3.44Å; I684-L688 PolarHBondContact O-N 3.35Å; P685-L688 PolarHBondContact O-N 3.44Å; L688-H690 VanDerWaalsContact C-N 3.28Å; L688-H690 PolarHBondContact O-N 3.44Å; L688-I691 PolarHBondContact O-N 3.48Å; L688-I692 WeakPolarHBondContact O-CG1 3.34Å; L688-I692 PolarHBondContact O-N 3.02Å |
| 689 | A | 86.7 | Confident | 86.5 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S325 P685 A693 | S325-A689 WeakPolarHBondContact OG-CB 3.34Å; P685-A689 VanDerWaalsContact O-CB 3.29Å; P685-A689 WeakPolarHBondContact O-CB 3.44Å; P685-A689 PolarHBondContact O-N 3.22Å; A689-A693 WeakPolarHBondContact O-CB 3.47Å; A689-A693 PolarHBondContact O-N 3.31Å |
| 690 | H | 88.7 | Confident | 87.2 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.065 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 172.5 | -178.8 | 99.1 | 0 | 0 | 0 | 111.9 | A671 S673 V674 D686 C687 L688 I692 A693 F694 K697 | A671-H690 PolarHBondContact O-CE1 3.37Å; S673-H690 VanDerWaalsContact C-CE1 3.42Å; S673-H690 PolarHBondContact O-CE1 3.06Å; S673-H690 PolarHBondContact O-ND1 3.31Å; V674-H690 HydrophobicContact CG1-CB 4.25Å; V674-H690 HydrophobicContact CG2-CB 4.07Å; D686-H690 WeakPolarHBondContact O-CB 3.44Å; D686-H690 PolarHBondContact O-N 3.32Å; C687-H690 PolarHBondContact O-N 2.83Å; L688-H690 VanDerWaalsContact C-N 3.28Å; L688-H690 PolarHBondContact O-N 3.44Å; H690-I692 PolarHBondContact O-N 2.83Å; H690-A693 CarbonylContact O-C 3.5Å; H690-A693 PolarHBondContact O-N 3.5Å; H690-F694 AromaticContact NE2-CD2 3.79Å; H690-F694 WeakPolarHBondContact O-CA 3.19Å; H690-F694 WeakPolarHBondContact O-CB 3.48Å; H690-F694 PolarHBondContact O-N 2.87Å; H690-K697 PolarHBondContact ND1-NZ 3.21Å |
| 691 | I | 90.7 | Very high | 87.9 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 60% | 0.595 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.3 | -47.3 | 179.3 | -69.6 | 164 | 0 | 0 | 0 | 110.8 | C687 L688 F694 | C687-I691 VanDerWaalsContact O-CG1 3.32Å; C687-I691 WeakPolarHBondContact O-CG1 3.42Å; C687-I691 PolarHBondContact O-N 3.27Å; L688-I691 PolarHBondContact O-N 3.48Å; I691-F694 WeakPolarHBondContact O-CB 3.41Å; I691-F694 PolarHBondContact O-N 3.36Å |
| 692 | I | 90.7 | Very high | 88.7 | Confident | 90 Ų | 90 | 56.5 Ų | 56.5 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 178.3 | -65 | 167.1 | 0 | 0 | 0 | 110.2 | Y42 L688 H690 F694 | Y42-I692 HydrophobicContact CD2-CG2 4.16Å; Y42-I692 HydrophobicContact CE2-CG2 4.2Å; Y42-I692 WeakPolarHBondContact CE2-O 3.41Å; L688-I692 WeakPolarHBondContact O-CG1 3.34Å; L688-I692 PolarHBondContact O-N 3.02Å; H690-I692 PolarHBondContact O-N 2.83Å; I692-F694 VanDerWaalsContact C-N 3.31Å; I692-F694 PolarHBondContact O-N 2.88Å |
| 693 | A | 90.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77 | -14.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V45 I49 T324 A689 H690 W696 K697 | V45-A693 HydrophobicContact CG1-CB 4.28Å; I49-A693 HydrophobicContact CD1-CB 3.8Å; T324-A693 HydrophobicContact CG2-CB 4.42Å; A689-A693 WeakPolarHBondContact O-CB 3.47Å; A689-A693 PolarHBondContact O-N 3.31Å; H690-A693 CarbonylContact O-C 3.5Å; H690-A693 PolarHBondContact O-N 3.5Å; A693-W696 PolarHBondContact O-N 3.44Å; A693-W696 VanDerWaalsContact O-N 3.15Å; A693-K697 HydrophobicContact CB-CD 4.32Å; A693-K697 HydrophobicContact CB-CG 4.27Å; A693-K697 WeakPolarHBondContact O-CG 3.22Å; A693-K697 PolarHBondContact O-N 2.66Å |
| 694 | F | 92.1 | Very high | 89.7 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.8 | -48.5 | -167.9 | 176.8 | -100.4 | 0 | 0 | 0 | 113.7 | V672 H690 I691 I692 W696 K697 V698 | V672-F694 HydrophobicContact CG2-CE2 4.37Å; H690-F694 AromaticContact NE2-CD2 3.79Å; H690-F694 WeakPolarHBondContact O-CA 3.19Å; H690-F694 WeakPolarHBondContact O-CB 3.48Å; H690-F694 PolarHBondContact O-N 2.87Å; I691-F694 WeakPolarHBondContact O-CB 3.41Å; I691-F694 PolarHBondContact O-N 3.36Å; I692-F694 VanDerWaalsContact C-N 3.31Å; I692-F694 PolarHBondContact O-N 2.88Å; F694-W696 VanDerWaalsContact C-N 3.31Å; F694-W696 PolarHBondContact O-N 3.15Å; F694-K697 WeakPolarHBondContact O-CB 3.29Å; F694-K697 PolarHBondContact O-N 3.44Å; F694-K697 VanDerWaalsContact O-N 3.16Å; F694-V698 HydrophobicContact CD1-CG2 4.46Å; F694-V698 HydrophobicContact CD2-CG2 4.29Å; F694-V698 HydrophobicContact CE1-CG2 4.03Å; F694-V698 HydrophobicContact CE2-CG2 3.84Å; F694-V698 HydrophobicContact CZ-CG2 3.69Å; F694-V698 WeakPolarHBondContact O-CG2 3.25Å; F694-V698 PolarHBondContact O-N 3.44Å |
| 695 | P | 93.2 | Very high | 89.6 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 179.5 | -23.6 | 36 | 0 | 0 | 0 | 112.3 | Y42 V698 L699 | Y42-P695 WeakPolarHBondContact OH-CB 3.26Å; Y42-P695 WeakPolarHBondContact OH-CG 3.14Å; P695-V698 PolarHBondContact O-N 3.38Å; P695-L699 PolarHBondContact O-N 2.88Å |
| 696 | W | 92.8 | Very high | 89.4 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 176.2 | -63.9 | 121.7 | 0 | 0 | 0 | 112.4 | Y42 G46 I49 A693 F694 V698 L699 V700 L725 | Y42-W696 AromaticContact CD1-CZ2 3.87Å; Y42-W696 HydrophobicContact CD1-CZ2 3.87Å; Y42-W696 AromaticContact CD1-NE1 3.66Å; Y42-W696 AromaticContact CD2-NE1 3.84Å; Y42-W696 AromaticContact CE1-CE2 3.54Å; Y42-W696 AromaticContact CE1-CZ2 3.57Å; Y42-W696 HydrophobicContact CE1-CZ2 3.57Å; Y42-W696 AromaticContact CE1-NE1 3.21Å; Y42-W696 AromaticContact CE2-CD1 3.82Å; Y42-W696 AromaticContact CE2-NE1 3.42Å; Y42-W696 AromaticContact CG-NE1 3.95Å; Y42-W696 AromaticContact CZ-CD1 3.64Å; Y42-W696 AromaticContact CZ-CE2 3.79Å; Y42-W696 AromaticContact CZ-NE1 3.07Å; Y42-W696 PolarHBondContact O-NE1 3.48Å; Y42-W696 PolarHBondContact OH-NE1 3.28Å; G46-W696 VanDerWaalsContact CA-CD2 3.42Å; I49-W696 HydrophobicContact CD1-CB 3.63Å; A693-W696 PolarHBondContact O-N 3.44Å; A693-W696 VanDerWaalsContact O-N 3.15Å; F694-W696 VanDerWaalsContact C-N 3.31Å; F694-W696 PolarHBondContact O-N 3.15Å; W696-V698 PolarHBondContact O-N 2.92Å; W696-L699 HydrophobicContact CE3-CD1 4.4Å; W696-L699 HydrophobicContact CZ3-CD1 4.32Å; W696-L699 PolarHBondContact O-N 3.43Å; W696-V700 WeakPolarHBondContact O-CG2 3.47Å; W696-V700 PolarHBondContact O-N 3.25Å; W696-L725 HydrophobicContact CH2-CD1 3.5Å; W696-L725 HydrophobicContact CH2-CD2 4.25Å; W696-L725 HydrophobicContact CZ2-CD1 4.24Å; W696-L725 HydrophobicContact CZ3-CD1 4.01Å; W696-L725 HydrophobicContact CZ3-CD2 4.14Å |
| 697 | K | 89.9 | Confident | 89.1 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 175.2 | -75.1 | -179.2 | 176.2 | -175.6 | 0 | 112.3 | I49 T324 A671 H690 A693 F694 V700 A701 | I49-K697 HydrophobicContact CD1-CG 4.06Å; T324-K697 WeakPolarHBondContact O-CE 3.12Å; T324-K697 PolarHBondContact O-NZ 3.35Å; A671-K697 HydrophobicContact CB-CB 3.95Å; H690-K697 PolarHBondContact ND1-NZ 3.21Å; A693-K697 HydrophobicContact CB-CD 4.32Å; A693-K697 HydrophobicContact CB-CG 4.27Å; A693-K697 WeakPolarHBondContact O-CG 3.22Å; A693-K697 PolarHBondContact O-N 2.66Å; F694-K697 WeakPolarHBondContact O-CB 3.29Å; F694-K697 PolarHBondContact O-N 3.44Å; F694-K697 VanDerWaalsContact O-N 3.16Å; K697-V700 PolarHBondContact O-N 2.64Å; K697-A701 VanDerWaalsContact O-CB 3.29Å; K697-A701 WeakPolarHBondContact O-CB 3.36Å; K697-A701 PolarHBondContact O-N 3.4Å |
| 698 | V | 91.4 | Very high | 88.8 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | F694 P695 W696 V700 A701 L702 | F694-V698 HydrophobicContact CD1-CG2 4.46Å; F694-V698 HydrophobicContact CD2-CG2 4.29Å; F694-V698 HydrophobicContact CE1-CG2 4.03Å; F694-V698 HydrophobicContact CE2-CG2 3.84Å; F694-V698 HydrophobicContact CZ-CG2 3.69Å; F694-V698 WeakPolarHBondContact O-CG2 3.25Å; F694-V698 PolarHBondContact O-N 3.44Å; P695-V698 PolarHBondContact O-N 3.38Å; W696-V698 PolarHBondContact O-N 2.92Å; V698-V700 PolarHBondContact O-N 2.97Å; V698-A701 PolarHBondContact O-N 3.24Å; V698-L702 PolarHBondContact O-N 3.32Å |
| 699 | L | 91.9 | Very high | 88.6 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 176 | -173.5 | 154.3 | 0 | 0 | 0 | 111.7 | L50 P695 W696 A701 L702 L721 | L50-L699 HydrophobicContact CD2-CD2 4.14Å; P695-L699 PolarHBondContact O-N 2.88Å; W696-L699 HydrophobicContact CE3-CD1 4.4Å; W696-L699 HydrophobicContact CZ3-CD1 4.32Å; W696-L699 PolarHBondContact O-N 3.43Å; L699-A701 VanDerWaalsContact C-N 3.32Å; L699-A701 PolarHBondContact O-N 3.28Å; L699-L702 WeakPolarHBondContact O-CB 3.48Å; L699-L702 PolarHBondContact O-N 3.08Å; L699-L721 HydrophobicContact CD2-CD1 4.12Å |
| 700 | V | 89.1 | Confident | 88.2 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -29.4 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 112.4 | I49 L50 A53 W696 K697 V698 L702 V703 | I49-V700 HydrophobicContact CB-CG2 4.26Å; I49-V700 HydrophobicContact CG2-CB 3.82Å; I49-V700 HydrophobicContact CG2-CG1 4.12Å; I49-V700 HydrophobicContact CG2-CG2 3.49Å; I49-V700 VanDerWaalsContact CG2-CG2 3.49Å; L50-V700 HydrophobicContact CD2-CG2 3.51Å; L50-V700 HydrophobicContact CG-CG2 3.78Å; A53-V700 HydrophobicContact CB-CG1 3.65Å; W696-V700 WeakPolarHBondContact O-CG2 3.47Å; W696-V700 PolarHBondContact O-N 3.25Å; K697-V700 PolarHBondContact O-N 2.64Å; V698-V700 PolarHBondContact O-N 2.97Å; V700-L702 PolarHBondContact O-N 3.44Å; V700-L702 VanDerWaalsContact O-N 3.12Å; V700-V703 VanDerWaalsContact O-CB 3.28Å; V700-V703 WeakPolarHBondContact O-CB 3.35Å; V700-V703 PolarHBondContact O-N 2.84Å |
| 701 | A | 88.6 | Confident | 87.9 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W664 Q667 M668 A671 K697 V698 L699 | W664-A701 WeakPolarHBondContact CZ3-O 3.41Å; Q667-A701 HydrophobicContact CB-CB 4.1Å; Q667-A701 PolarHBondContact OE1-O 3.16Å; M668-A701 HydrophobicContact CE-CB 3.79Å; M668-A701 WeakPolarHBondContact CE-O 3.08Å; M668-A701 HydrophobicContact CG-CB 4.41Å; M668-A701 HydrophobicContact SD-CB 3.66Å; A671-A701 HydrophobicContact CB-CB 3.89Å; K697-A701 VanDerWaalsContact O-CB 3.29Å; K697-A701 WeakPolarHBondContact O-CB 3.36Å; K697-A701 PolarHBondContact O-N 3.4Å; V698-A701 PolarHBondContact O-N 3.24Å; L699-A701 VanDerWaalsContact C-N 3.32Å; L699-A701 PolarHBondContact O-N 3.28Å |
| 702 | L | 90.9 | Very high | 87.8 | Confident | 115 Ų | 115 | 50.1 Ų | 50.1 | 60% | 0.602 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 8.7 | 166.9 | -58.4 | 169.6 | 0 | 0 | 0 | 112.9 | W664 M668 V698 L699 V700 | W664-L702 WeakPolarHBondContact CH2-O 3.49Å; M668-L702 HydrophobicContact CE-CD2 3.36Å; M668-L702 HydrophobicContact CE-CG 3.9Å; V698-L702 PolarHBondContact O-N 3.32Å; L699-L702 WeakPolarHBondContact O-CB 3.48Å; L699-L702 PolarHBondContact O-N 3.08Å; V700-L702 PolarHBondContact O-N 3.44Å; V700-L702 VanDerWaalsContact O-N 3.12Å |
| 703 | V | 91.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -89.7 | 129.9 | 169.6 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | W664 Q667 V700 T714 V717 L721 | W664-V703 WeakPolarHBondContact CH2-O 3.46Å; W664-V703 VanDerWaalsContact CZ3-N 3.3Å; W664-V703 WeakPolarHBondContact CZ3-O 3.43Å; Q667-V703 PolarHBondContact OE1-O 3.24Å; Q667-V703 VanDerWaalsContact OE1-O 3.05Å; V700-V703 VanDerWaalsContact O-CB 3.28Å; V700-V703 WeakPolarHBondContact O-CB 3.35Å; V700-V703 PolarHBondContact O-N 2.84Å; V703-T714 HydrophobicContact CG1-CG2 3.91Å; V703-V717 HydrophobicContact CG1-CB 4.4Å; V703-V717 HydrophobicContact CG1-CG1 4.15Å; V703-L721 HydrophobicContact CG2-CD1 3.49Å; V703-L721 VanDerWaalsContact CG2-CD1 3.49Å |
| 704 | P | 91.2 | Very high | 87.9 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | trans | -47.4 | 134.9 | -173.8 | -33.1 | 37.6 | 0 | 0 | 0 | 113.5 | W664 L708 L713 T714 V717 | W664-P704 HydrophobicContact CH2-CB 4.48Å; W664-P704 HydrophobicContact CH2-CG 4.3Å; W664-P704 VanDerWaalsContact CZ2-CA 3.46Å; W664-P704 HydrophobicContact CZ2-CB 4.26Å; W664-P704 HydrophobicContact CZ2-CG 4.18Å; P704-L708 HydrophobicContact CB-CD1 4.17Å; P704-L713 HydrophobicContact CB-CD2 3.73Å; P704-L713 HydrophobicContact CB-CG 3.85Å; P704-L713 HydrophobicContact CG-CD2 3.91Å; P704-L713 HydrophobicContact CG-CG 3.89Å; P704-T714 WeakPolarHBondContact O-CB 3.42Å; P704-T714 VanDerWaalsContact O-CG2 3.27Å; P704-T714 WeakPolarHBondContact O-CG2 3.44Å; P704-T714 PolarHBondContact O-OG1 3.1Å; P704-V717 HydrophobicContact CG-CG2 4.16Å | ||
| 705 | P | 85.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 5% | 0.045 | 23% | 0.233 | C | C | . | . | trans | -44 | 129.8 | 170.1 | -40 | 41.3 | 0 | 0 | 0 | 115 | S662 W664 P707 L708 T714 | S662-P705 WeakPolarHBondContact O-CB 3.25Å; S662-P705 WeakPolarHBondContact O-CG 3.31Å; W664-P705 HydrophobicContact CD2-CG 3.99Å; W664-P705 HydrophobicContact CE3-CG 4.39Å; W664-P705 HydrophobicContact CG-CG 4.1Å; P705-P707 VanDerWaalsContact O-N 3.1Å; P705-L708 HydrophobicContact CB-CD1 4.14Å; P705-L708 HydrophobicContact CB-CG 4.19Å; P705-L708 HydrophobicContact CG-CD1 4.29Å; P705-L708 WeakPolarHBondContact O-CB 3.49Å; P705-L708 PolarHBondContact O-N 3.46Å; P705-T714 VanDerWaalsContact C-OG1 3.26Å; P705-T714 PolarHBondContact O-OG1 3.39Å | ||
| 706 | P | 81 | Confident | 87.8 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -33.3 | 175 | -25.8 | 32.4 | 0 | 0 | 0 | 115.4 | C56 R60 L708 G711 T714 | C56-P706 HydrophobicContact CB-CG 4.04Å; R60-P706 HydrophobicContact CB-CB 4.34Å; R60-P706 WeakPolarHBondContact CG-O 3.48Å; P706-L708 PolarHBondContact O-N 2.88Å; P706-G711 WeakPolarHBondContact O-CA 3.5Å; P706-G711 PolarHBondContact O-N 3.49Å; P706-T714 VanDerWaalsContact CA-OG1 3.29Å; P706-T714 WeakPolarHBondContact CA-OG1 3.28Å; P706-T714 HydrophobicContact CG-CG2 4.27Å |
| 707 | P | 77.1 | Confident | 87.9 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -28.1 | 175.2 | -26.4 | 34.8 | 0 | 0 | 0 | 114.9 | A661 P705 F709 N710 | A661-P707 HydrophobicContact CB-CG 4.5Å; P705-P707 VanDerWaalsContact O-N 3.1Å; P707-F709 PolarHBondContact O-N 2.94Å; P707-N710 PolarHBondContact O-N 3.32Å |
| 708 | L | 81.5 | Confident | 88 | Confident | 74 Ų | 74 | 48 Ų | 48 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -66.6 | 130.8 | -179 | -65.8 | 172.2 | 0 | 0 | 0 | 110.5 | P704 P705 P706 N710 G711 L713 | P704-L708 HydrophobicContact CB-CD1 4.17Å; P705-L708 HydrophobicContact CB-CD1 4.14Å; P705-L708 HydrophobicContact CB-CG 4.19Å; P705-L708 HydrophobicContact CG-CD1 4.29Å; P705-L708 WeakPolarHBondContact O-CB 3.49Å; P705-L708 PolarHBondContact O-N 3.46Å; P706-L708 PolarHBondContact O-N 2.88Å; L708-N710 PolarHBondContact O-N 3.49Å; L708-N710 VanDerWaalsContact O-N 3.11Å; L708-G711 PolarHBondContact O-N 3.11Å; L708-L713 HydrophobicContact CB-CD2 4.44Å |
| 709 | F | 85 | Confident | 88 | Confident | 160 Ų | 160 | 47.7 Ų | 47.7 | 70% | 0.702 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | 47.7 | 38 | -177.7 | -62.2 | -75.6 | 0 | 0 | 0 | 113.7 | P707 G711 W712 L713 | P707-F709 PolarHBondContact O-N 2.94Å; F709-G711 PolarHBondContact O-N 3.47Å; F709-G711 VanDerWaalsContact O-N 3.16Å; F709-W712 PolarHBondContact O-N 3.45Å; F709-L713 HydrophobicContact CB-CB 4.3Å; F709-L713 HydrophobicContact CD2-CB 3.94Å; F709-L713 HydrophobicContact CD2-CD2 3.91Å; F709-L713 HydrophobicContact CD2-CG 4.47Å; F709-L713 HydrophobicContact CE2-CD2 4.2Å |
| 710 | N | 78.3 | Confident | 88.1 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | 52.8 | 34 | -178.8 | -66.6 | -34.3 | 0 | 0 | 0 | 114.1 | I61 P707 L708 | I61-N710 WeakPolarHBondContact CG1-O 3.33Å; P707-N710 PolarHBondContact O-N 3.32Å; L708-N710 PolarHBondContact O-N 3.49Å; L708-N710 VanDerWaalsContact O-N 3.11Å |
| 711 | G | 82.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | 92.4 | -15.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S57 P706 L708 F709 L713 T714 F715 | S57-G711 WeakPolarHBondContact CB-O 3.39Å; P706-G711 WeakPolarHBondContact O-CA 3.5Å; P706-G711 PolarHBondContact O-N 3.49Å; L708-G711 PolarHBondContact O-N 3.11Å; F709-G711 PolarHBondContact O-N 3.47Å; F709-G711 VanDerWaalsContact O-N 3.16Å; G711-L713 VanDerWaalsContact C-N 3.34Å; G711-L713 PolarHBondContact O-N 2.91Å; G711-T714 PolarHBondContact O-N 3.12Å; G711-F715 WeakPolarHBondContact O-CB 3.4Å; G711-F715 PolarHBondContact O-N 3.38Å |
| 712 | W | 89 | Confident | 88.6 | Confident | 116 Ų | 116 | 52.2 Ų | 52.2 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | -177.7 | -73.3 | 104.7 | 0 | 0 | 0 | 113.3 | I61 F709 F715 F716 | I61-W712 HydrophobicContact CD1-CD2 3.95Å; I61-W712 HydrophobicContact CD1-CE3 4.04Å; I61-W712 HydrophobicContact CD1-CG 4.37Å; I61-W712 HydrophobicContact CD1-CZ3 4.39Å; I61-W712 HydrophobicContact CG1-CD2 4.34Å; I61-W712 HydrophobicContact CG2-CH2 4.48Å; I61-W712 HydrophobicContact CG2-CZ2 3.95Å; F709-W712 PolarHBondContact O-N 3.45Å; W712-F715 WeakPolarHBondContact O-CB 3.43Å; W712-F715 PolarHBondContact O-N 2.89Å; W712-F716 AromaticContact CE3-CE2 3.89Å; W712-F716 HydrophobicContact CE3-CE2 3.89Å; W712-F716 HydrophobicContact CE3-CZ 4.17Å; W712-F716 HydrophobicContact CZ3-CZ 4.44Å; W712-F716 WeakPolarHBondContact O-CD2 3.43Å; W712-F716 PolarHBondContact O-N 2.88Å; W712-F716 VanDerWaalsContact O-N 3.15Å |
| 713 | L | 92.3 | Very high | 88.6 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.7 | -47.3 | 178.3 | -178.9 | 63.1 | 0 | 0 | 0 | 111.2 | P704 L708 F709 G711 F715 F716 V717 | P704-L713 HydrophobicContact CB-CD2 3.73Å; P704-L713 HydrophobicContact CB-CG 3.85Å; P704-L713 HydrophobicContact CG-CD2 3.91Å; P704-L713 HydrophobicContact CG-CG 3.89Å; L708-L713 HydrophobicContact CB-CD2 4.44Å; F709-L713 HydrophobicContact CB-CB 4.3Å; F709-L713 HydrophobicContact CD2-CB 3.94Å; F709-L713 HydrophobicContact CD2-CD2 3.91Å; F709-L713 HydrophobicContact CD2-CG 4.47Å; F709-L713 HydrophobicContact CE2-CD2 4.2Å; G711-L713 VanDerWaalsContact C-N 3.34Å; G711-L713 PolarHBondContact O-N 2.91Å; L713-F715 VanDerWaalsContact C-N 3.28Å; L713-F715 PolarHBondContact O-N 3.1Å; L713-F716 PolarHBondContact O-N 3.41Å; L713-V717 HydrophobicContact CD1-CG2 4.25Å; L713-V717 WeakPolarHBondContact O-CG2 3.2Å; L713-V717 PolarHBondContact O-N 3.05Å; L713-V717 VanDerWaalsContact O-N 3.12Å |
| 714 | T | 90.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 173.4 | -47.6 | 0 | 0 | 0 | 0 | 111.3 | V703 P704 P705 P706 G711 V717 S718 | V703-T714 HydrophobicContact CG1-CG2 3.91Å; P704-T714 WeakPolarHBondContact O-CB 3.42Å; P704-T714 VanDerWaalsContact O-CG2 3.27Å; P704-T714 WeakPolarHBondContact O-CG2 3.44Å; P704-T714 PolarHBondContact O-OG1 3.1Å; P705-T714 VanDerWaalsContact C-OG1 3.26Å; P705-T714 PolarHBondContact O-OG1 3.39Å; P706-T714 VanDerWaalsContact CA-OG1 3.29Å; P706-T714 WeakPolarHBondContact CA-OG1 3.28Å; P706-T714 HydrophobicContact CG-CG2 4.27Å; G711-T714 PolarHBondContact O-N 3.12Å; T714-V717 PolarHBondContact O-N 3.05Å; T714-S718 VanDerWaalsContact O-CB 3.26Å; T714-S718 WeakPolarHBondContact O-CB 3.4Å; T714-S718 PolarHBondContact O-N 2.9Å; T714-S718 PolarHBondContact O-OG 3.4Å |
| 715 | F | 90.6 | Very high | 88.8 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -53.5 | 179.8 | -180 | -84.2 | 0 | 0 | 0 | 111.8 | F54 S57 I58 I61 L100 L103 G711 W712 L713 S718 L719 | F54-F715 HydrophobicContact CD2-CD2 4.03Å; F54-F715 HydrophobicContact CD2-CE2 4.3Å; F54-F715 HydrophobicContact CD2-CG 4.45Å; F54-F715 HydrophobicContact CE2-CD1 4.23Å; F54-F715 AromaticContact CE2-CD2 3.35Å; F54-F715 HydrophobicContact CE2-CD2 3.35Å; F54-F715 HydrophobicContact CE2-CE1 4.14Å; F54-F715 AromaticContact CE2-CE2 3.25Å; F54-F715 HydrophobicContact CE2-CE2 3.25Å; F54-F715 AromaticContact CE2-CG 3.85Å; F54-F715 HydrophobicContact CE2-CG 3.85Å; F54-F715 AromaticContact CE2-CZ 3.67Å; F54-F715 HydrophobicContact CE2-CZ 3.67Å; F54-F715 HydrophobicContact CZ-CD2 4.08Å; F54-F715 AromaticContact CZ-CE2 3.51Å; F54-F715 HydrophobicContact CZ-CE2 3.51Å; F54-F715 AromaticContact CZ-CZ 3.81Å; F54-F715 HydrophobicContact CZ-CZ 3.81Å; S57-F715 VanDerWaalsContact OG-CA 3.25Å; S57-F715 WeakPolarHBondContact OG-CA 3.45Å; S57-F715 WeakPolarHBondContact OG-CB 3.31Å; I58-F715 HydrophobicContact CD1-CE2 4.34Å; I58-F715 HydrophobicContact CG1-CD2 3.91Å; I58-F715 HydrophobicContact CG1-CE2 3.88Å; I61-F715 HydrophobicContact CD1-CB 3.97Å; I61-F715 HydrophobicContact CD1-CD2 3.89Å; I61-F715 HydrophobicContact CD1-CG 4.12Å; L100-F715 HydrophobicContact CD2-CE2 4.33Å; L103-F715 HydrophobicContact CD2-CZ 4.24Å; G711-F715 WeakPolarHBondContact O-CB 3.4Å; G711-F715 PolarHBondContact O-N 3.38Å; W712-F715 WeakPolarHBondContact O-CB 3.43Å; W712-F715 PolarHBondContact O-N 2.89Å; L713-F715 VanDerWaalsContact C-N 3.28Å; L713-F715 PolarHBondContact O-N 3.1Å; F715-S718 PolarHBondContact O-OG 3.36Å; F715-L719 HydrophobicContact CE1-CD2 4.27Å; F715-L719 WeakPolarHBondContact O-CB 3.5Å; F715-L719 PolarHBondContact O-N 3.26Å |
| 716 | F | 93.4 | Very high | 89.1 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.2 | -40 | -178.3 | -68.9 | -65.3 | 0 | 0 | 0 | 112.9 | W712 L713 L719 F720 | W712-F716 AromaticContact CE3-CE2 3.89Å; W712-F716 HydrophobicContact CE3-CE2 3.89Å; W712-F716 HydrophobicContact CE3-CZ 4.17Å; W712-F716 HydrophobicContact CZ3-CZ 4.44Å; W712-F716 WeakPolarHBondContact O-CD2 3.43Å; W712-F716 PolarHBondContact O-N 2.88Å; W712-F716 VanDerWaalsContact O-N 3.15Å; L713-F716 PolarHBondContact O-N 3.41Å; F716-L719 PolarHBondContact O-N 3.48Å; F716-F720 WeakPolarHBondContact O-CB 3.08Å; F716-F720 PolarHBondContact O-N 2.96Å |
| 717 | V | 94.5 | Very high | 89.7 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 179.7 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | V703 P704 L713 T714 F720 L721 | V703-V717 HydrophobicContact CG1-CB 4.4Å; V703-V717 HydrophobicContact CG1-CG1 4.15Å; P704-V717 HydrophobicContact CG-CG2 4.16Å; L713-V717 HydrophobicContact CD1-CG2 4.25Å; L713-V717 WeakPolarHBondContact O-CG2 3.2Å; L713-V717 PolarHBondContact O-N 3.05Å; L713-V717 VanDerWaalsContact O-N 3.12Å; T714-V717 PolarHBondContact O-N 3.05Å; V717-F720 PolarHBondContact O-N 3.08Å; V717-L721 HydrophobicContact CG1-CD1 4.27Å; V717-L721 WeakPolarHBondContact O-CG 3.06Å; V717-L721 PolarHBondContact O-N 3.09Å; V717-L721 VanDerWaalsContact O-N 3.07Å |
| 718 | S | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.2 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | F54 T714 F715 F720 L721 I722 | F54-S718 WeakPolarHBondContact CA-OG 3.49Å; F54-S718 WeakPolarHBondContact CD2-OG 3.47Å; T714-S718 VanDerWaalsContact O-CB 3.26Å; T714-S718 WeakPolarHBondContact O-CB 3.4Å; T714-S718 PolarHBondContact O-N 2.9Å; T714-S718 PolarHBondContact O-OG 3.4Å; F715-S718 PolarHBondContact O-OG 3.36Å; S718-F720 VanDerWaalsContact C-N 3.34Å; S718-F720 PolarHBondContact O-N 3.19Å; S718-L721 PolarHBondContact O-N 2.99Å; S718-I722 VanDerWaalsContact O-CG1 3.27Å; S718-I722 WeakPolarHBondContact O-CG1 3.28Å; S718-I722 PolarHBondContact O-N 3.2Å |
| 719 | L | 91.9 | Very high | 91 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 175.8 | -173 | 69.8 | 0 | 0 | 0 | 112.2 | F54 A107 L111 F715 F716 I722 G723 | F54-L719 HydrophobicContact CD2-CB 4.39Å; F54-L719 HydrophobicContact CE1-CD1 4.37Å; F54-L719 HydrophobicContact CE2-CB 4.04Å; F54-L719 HydrophobicContact CE2-CD1 4.05Å; F54-L719 HydrophobicContact CZ-CD1 3.86Å; A107-L719 HydrophobicContact CB-CD1 4.3Å; L111-L719 HydrophobicContact CD1-CD1 3.76Å; L111-L719 HydrophobicContact CD1-CG 4.39Å; L111-L719 HydrophobicContact CG-CD1 4.49Å; F715-L719 HydrophobicContact CE1-CD2 4.27Å; F715-L719 WeakPolarHBondContact O-CB 3.5Å; F715-L719 PolarHBondContact O-N 3.26Å; F716-L719 PolarHBondContact O-N 3.48Å; L719-I722 PolarHBondContact O-N 3.29Å; L719-G723 PolarHBondContact O-N 2.99Å |
| 720 | F | 93.8 | Very high | 91.3 | Very high | 147 Ų | 147 | 39.9 Ų | 39.9 | 65% | 0.645 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.2 | -45.5 | 175.1 | 174 | -98.5 | 0 | 0 | 0 | 112.2 | F716 V717 S718 G723 L724 | F716-F720 WeakPolarHBondContact O-CB 3.08Å; F716-F720 PolarHBondContact O-N 2.96Å; V717-F720 PolarHBondContact O-N 3.08Å; S718-F720 VanDerWaalsContact C-N 3.34Å; S718-F720 PolarHBondContact O-N 3.19Å; F720-G723 WeakPolarHBondContact O-CA 3.27Å; F720-G723 PolarHBondContact O-N 3.38Å; F720-G723 VanDerWaalsContact O-N 3.13Å; F720-L724 PolarHBondContact O-N 2.99Å |
| 721 | L | 94.3 | Very high | 92 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 19% | 0.194 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 178 | -69.4 | 174.6 | 0 | 0 | 0 | 112.5 | L50 L699 V703 V717 S718 G723 L724 L725 | L50-L721 HydrophobicContact CD1-CB 4.05Å; L50-L721 HydrophobicContact CD2-CB 3.69Å; L50-L721 HydrophobicContact CD2-CD1 3.89Å; L50-L721 HydrophobicContact CD2-CG 4.47Å; L699-L721 HydrophobicContact CD2-CD1 4.12Å; V703-L721 HydrophobicContact CG2-CD1 3.49Å; V703-L721 VanDerWaalsContact CG2-CD1 3.49Å; V717-L721 HydrophobicContact CG1-CD1 4.27Å; V717-L721 WeakPolarHBondContact O-CG 3.06Å; V717-L721 PolarHBondContact O-N 3.09Å; V717-L721 VanDerWaalsContact O-N 3.07Å; S718-L721 PolarHBondContact O-N 2.99Å; L721-G723 VanDerWaalsContact C-N 3.28Å; L721-L724 PolarHBondContact O-N 3Å; L721-L725 WeakPolarHBondContact O-CB 3.12Å; L721-L725 PolarHBondContact O-N 3.26Å |
| 722 | I | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 170.1 | -66.5 | 167.7 | 0 | 0 | 0 | 108.8 | L50 F54 P108 L111 S718 L719 L724 L725 T726 | L50-I722 HydrophobicContact CB-CD1 4.47Å; L50-I722 HydrophobicContact CB-CG1 3.68Å; F54-I722 HydrophobicContact CB-CD1 3.77Å; F54-I722 HydrophobicContact CD1-CD1 4.14Å; F54-I722 HydrophobicContact CG-CD1 4.03Å; P108-I722 HydrophobicContact CG-CG2 4.24Å; L111-I722 HydrophobicContact CD1-CB 3.91Å; L111-I722 HydrophobicContact CD1-CG2 3.54Å; S718-I722 VanDerWaalsContact O-CG1 3.27Å; S718-I722 WeakPolarHBondContact O-CG1 3.28Å; S718-I722 PolarHBondContact O-N 3.2Å; L719-I722 PolarHBondContact O-N 3.29Å; I722-L724 PolarHBondContact O-N 3.38Å; I722-L725 PolarHBondContact O-N 2.82Å; I722-T726 HydrophobicContact CG2-CG2 3.96Å; I722-T726 WeakPolarHBondContact O-CB 3.04Å; I722-T726 VanDerWaalsContact O-CG2 3.24Å; I722-T726 WeakPolarHBondContact O-CG2 3.34Å; I722-T726 PolarHBondContact O-N 3.36Å; I722-T726 PolarHBondContact O-OG1 2.61Å |
| 723 | G | 92.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 32 Ų | 32 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55 | -52.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I115 L719 F720 L721 L725 T726 A727 | I115-G723 WeakPolarHBondContact CD1-O 3.28Å; L719-G723 PolarHBondContact O-N 2.99Å; F720-G723 WeakPolarHBondContact O-CA 3.27Å; F720-G723 PolarHBondContact O-N 3.38Å; F720-G723 VanDerWaalsContact O-N 3.13Å; L721-G723 VanDerWaalsContact C-N 3.28Å; G723-L725 VanDerWaalsContact C-N 3.34Å; G723-L725 PolarHBondContact O-N 3.06Å; G723-T726 VanDerWaalsContact CA-OG1 3.32Å; G723-T726 WeakPolarHBondContact CA-OG1 3.48Å; G723-T726 PolarHBondContact O-N 3.33Å; G723-T726 PolarHBondContact O-OG1 3.45Å; G723-A727 PolarHBondContact O-N 3.02Å |
| 724 | L | 93.1 | Very high | 92.6 | Very high | 85 Ų | 85 | 30.2 Ų | 30.2 | 45% | 0.445 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58 | -45.4 | 177.3 | -178.3 | 64 | 0 | 0 | 0 | 112.1 | F720 L721 I722 A727 I728 | F720-L724 PolarHBondContact O-N 2.99Å; L721-L724 PolarHBondContact O-N 3Å; I722-L724 PolarHBondContact O-N 3.38Å; L724-A727 WeakPolarHBondContact O-CB 3.27Å; L724-A727 PolarHBondContact O-N 2.82Å; L724-I728 PolarHBondContact O-N 3.39Å |
| 725 | L | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.3 | -36.3 | 179.6 | -174.8 | 57.8 | 0 | 0 | 0 | 112.1 | V47 L50 W696 L721 I722 G723 A727 I728 V729 | V47-L725 HydrophobicContact CB-CD2 4.3Å; V47-L725 HydrophobicContact CG2-CD2 3.6Å; V47-L725 HydrophobicContact CG2-CG 3.81Å; L50-L725 HydrophobicContact CD1-CB 4.24Å; L50-L725 HydrophobicContact CD1-CD2 3.79Å; W696-L725 HydrophobicContact CH2-CD1 3.5Å; W696-L725 HydrophobicContact CH2-CD2 4.25Å; W696-L725 HydrophobicContact CZ2-CD1 4.24Å; W696-L725 HydrophobicContact CZ3-CD1 4.01Å; W696-L725 HydrophobicContact CZ3-CD2 4.14Å; L721-L725 WeakPolarHBondContact O-CB 3.12Å; L721-L725 PolarHBondContact O-N 3.26Å; I722-L725 PolarHBondContact O-N 2.82Å; G723-L725 VanDerWaalsContact C-N 3.34Å; G723-L725 PolarHBondContact O-N 3.06Å; L725-A727 VanDerWaalsContact C-N 3.32Å; L725-A727 PolarHBondContact O-N 3.43Å; L725-I728 HydrophobicContact CD1-CD1 4.47Å; L725-I728 WeakPolarHBondContact O-CB 3.42Å; L725-I728 PolarHBondContact O-N 3.08Å; L725-V729 WeakPolarHBondContact O-CG2 3.38Å; L725-V729 PolarHBondContact O-N 3.35Å |
| 726 | T | 91.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.6 | -30.6 | 176 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | P108 L111 L112 I115 I722 G723 I728 V729 G730 | P108-T726 HydrophobicContact CB-CG2 3.92Å; P108-T726 WeakPolarHBondContact O-CG2 3.49Å; L111-T726 HydrophobicContact CB-CG2 4.49Å; L112-T726 WeakPolarHBondContact CD1-O 3.45Å; I115-T726 WeakPolarHBondContact CD1-OG1 3.4Å; I722-T726 HydrophobicContact CG2-CG2 3.96Å; I722-T726 WeakPolarHBondContact O-CB 3.04Å; I722-T726 VanDerWaalsContact O-CG2 3.24Å; I722-T726 WeakPolarHBondContact O-CG2 3.34Å; I722-T726 PolarHBondContact O-N 3.36Å; I722-T726 PolarHBondContact O-OG1 2.61Å; G723-T726 VanDerWaalsContact CA-OG1 3.32Å; G723-T726 WeakPolarHBondContact CA-OG1 3.48Å; G723-T726 PolarHBondContact O-N 3.33Å; G723-T726 PolarHBondContact O-OG1 3.45Å; T726-I728 VanDerWaalsContact C-N 3.34Å; T726-V729 PolarHBondContact O-N 3.07Å; T726-G730 PolarHBondContact O-N 3.04Å |
| 727 | A | 92.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 7% | 0.074 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I18 I115 G723 L724 L725 V729 G730 D731 | I18-A727 HydrophobicContact CD1-CB 3.84Å; I115-A727 HydrophobicContact CD1-CB 4.24Å; I115-A727 HydrophobicContact CG2-CB 3.87Å; G723-A727 PolarHBondContact O-N 3.02Å; L724-A727 WeakPolarHBondContact O-CB 3.27Å; L724-A727 PolarHBondContact O-N 2.82Å; L725-A727 VanDerWaalsContact C-N 3.32Å; L725-A727 PolarHBondContact O-N 3.43Å; A727-V729 PolarHBondContact O-N 3.29Å; A727-G730 PolarHBondContact O-N 3.06Å; A727-G730 VanDerWaalsContact O-N 3.15Å; A727-D731 PolarHBondContact O-N 2.88Å |
| 728 | I | 93.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 26% | 0.262 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.2 | -61.4 | 169.2 | 0 | 0 | 0 | 110.8 | I18 L19 L724 L725 T726 G730 D731 L732 | I18-I728 HydrophobicContact CD1-CG1 4.39Å; L19-I728 HydrophobicContact CD1-CG2 4.29Å; L724-I728 PolarHBondContact O-N 3.39Å; L725-I728 HydrophobicContact CD1-CD1 4.47Å; L725-I728 WeakPolarHBondContact O-CB 3.42Å; L725-I728 PolarHBondContact O-N 3.08Å; T726-I728 VanDerWaalsContact C-N 3.34Å; I728-G730 VanDerWaalsContact C-N 3.28Å; I728-G730 PolarHBondContact O-N 2.85Å; I728-D731 PolarHBondContact O-N 3.46Å; I728-L732 HydrophobicContact CG2-CD1 3.72Å; I728-L732 HydrophobicContact CG2-CG 4.14Å; I728-L732 WeakPolarHBondContact O-CB 3.42Å; I728-L732 WeakPolarHBondContact O-CD1 3.39Å; I728-L732 WeakPolarHBondContact O-CG 3.48Å; I728-L732 PolarHBondContact O-N 3.06Å |
| 729 | V | 93.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L40 S43 F44 V47 L725 T726 A727 L732 A733 V752 | L40-V729 HydrophobicContact CD1-CG1 3.94Å; S43-V729 WeakPolarHBondContact OG-CG2 3.33Å; F44-V729 HydrophobicContact CE1-CG1 3.86Å; F44-V729 HydrophobicContact CZ-CG1 4.49Å; V47-V729 HydrophobicContact CG2-CG2 4.02Å; L725-V729 WeakPolarHBondContact O-CG2 3.38Å; L725-V729 PolarHBondContact O-N 3.35Å; T726-V729 PolarHBondContact O-N 3.07Å; A727-V729 PolarHBondContact O-N 3.29Å; V729-L732 PolarHBondContact O-N 2.59Å; V729-A733 VanDerWaalsContact O-CB 3.26Å; V729-A733 WeakPolarHBondContact O-CB 3.38Å; V729-A733 PolarHBondContact O-N 3.26Å; V729-V752 HydrophobicContact CG1-CG1 4.23Å |
| 730 | G | 92 | Very high | 92.3 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 7% | 0.072 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.9 | -53.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T726 A727 I728 L732 A733 S734 | T726-G730 PolarHBondContact O-N 3.04Å; A727-G730 PolarHBondContact O-N 3.06Å; A727-G730 VanDerWaalsContact O-N 3.15Å; I728-G730 VanDerWaalsContact C-N 3.28Å; I728-G730 PolarHBondContact O-N 2.85Å; G730-L732 PolarHBondContact O-N 3.17Å; G730-A733 PolarHBondContact O-N 3.21Å; G730-S734 PolarHBondContact O-N 3.46Å; G730-S734 PolarHBondContact O-OG 3.43Å |
| 731 | D | 92 | Very high | 92 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 178.7 | -66.8 | -3.5 | 0 | 0 | 0 | 112.5 | G16 L17 I18 L19 A727 I728 A733 S734 I735 | G16-D731 WeakPolarHBondContact CA-OD1 3.12Å; L17-D731 WeakPolarHBondContact CB-OD1 3.47Å; L17-D731 PolarHBondContact N-OD1 3.24Å; L17-D731 PolarHBondContact N-OD2 3.19Å; I18-D731 VanDerWaalsContact CA-OD2 3.31Å; I18-D731 WeakPolarHBondContact CA-OD2 3.04Å; I18-D731 VanDerWaalsContact CB-OD2 3.3Å; I18-D731 WeakPolarHBondContact CB-OD2 3.27Å; I18-D731 PolarHBondContact N-OD2 3.25Å; L19-D731 HydrophobicContact CB-CB 4.05Å; L19-D731 HydrophobicContact CD1-CB 4.11Å; L19-D731 HydrophobicContact CG-CB 4.25Å; L19-D731 PolarHBondContact N-OD2 3.25Å; A727-D731 PolarHBondContact O-N 2.88Å; I728-D731 PolarHBondContact O-N 3.46Å; D731-A733 VanDerWaalsContact C-N 3.26Å; D731-A733 PolarHBondContact O-N 2.94Å; D731-S734 PolarHBondContact O-N 2.93Å; D731-I735 HydrophobicContact CB-CD1 4.47Å; D731-I735 WeakPolarHBondContact O-CB 3.33Å; D731-I735 VanDerWaalsContact O-CG1 3.23Å; D731-I735 WeakPolarHBondContact O-CG1 3.41Å; D731-I735 PolarHBondContact O-N 3.21Å |
| 732 | L | 93.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 179.2 | -73.2 | 168.6 | 0 | 0 | 0 | 110.8 | L19 Y36 L40 I728 V729 G730 F736 | L19-L732 HydrophobicContact CD1-CD2 3.47Å; L19-L732 VanDerWaalsContact CD1-CD2 3.47Å; L19-L732 HydrophobicContact CD1-CG 3.64Å; Y36-L732 HydrophobicContact CD1-CD2 3.63Å; Y36-L732 HydrophobicContact CE1-CD2 4.15Å; L40-L732 HydrophobicContact CB-CB 4.25Å; L40-L732 HydrophobicContact CD1-CB 4.19Å; I728-L732 HydrophobicContact CG2-CD1 3.72Å; I728-L732 HydrophobicContact CG2-CG 4.14Å; I728-L732 WeakPolarHBondContact O-CB 3.42Å; I728-L732 WeakPolarHBondContact O-CD1 3.39Å; I728-L732 WeakPolarHBondContact O-CG 3.48Å; I728-L732 PolarHBondContact O-N 3.06Å; V729-L732 PolarHBondContact O-N 2.59Å; G730-L732 PolarHBondContact O-N 3.17Å; L732-F736 WeakPolarHBondContact O-CB 3.25Å; L732-F736 PolarHBondContact O-N 2.89Å |
| 733 | A | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -47 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L40 L127 V729 G730 D731 G737 T747 V752 | L40-A733 HydrophobicContact CD1-CB 4.18Å; L40-A733 HydrophobicContact CD2-CB 4.41Å; L127-A733 HydrophobicContact CD1-CB 4.18Å; L127-A733 HydrophobicContact CD2-CB 4.39Å; V729-A733 VanDerWaalsContact O-CB 3.26Å; V729-A733 WeakPolarHBondContact O-CB 3.38Å; V729-A733 PolarHBondContact O-N 3.26Å; G730-A733 PolarHBondContact O-N 3.21Å; D731-A733 VanDerWaalsContact C-N 3.26Å; D731-A733 PolarHBondContact O-N 2.94Å; A733-G737 PolarHBondContact O-N 3.24Å; A733-T747 HydrophobicContact CB-CG2 4.1Å; A733-V752 HydrophobicContact CB-CG2 3.47Å; A733-V752 VanDerWaalsContact CB-CG2 3.47Å |
| 734 | S | 90.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 178.8 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | G730 D731 G737 C738 | G730-S734 PolarHBondContact O-N 3.46Å; G730-S734 PolarHBondContact O-OG 3.43Å; D731-S734 PolarHBondContact O-N 2.93Å; S734-G737 PolarHBondContact O-N 3.45Å; S734-C738 WeakPolarHBondContact O-CB 3.11Å; S734-C738 PolarHBondContact O-N 2.83Å |
| 735 | I | 91.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.4 | -45.3 | -179.5 | -61.2 | 165.5 | 0 | 0 | 0 | 110.6 | L19 Y36 D731 G737 C738 L739 | L19-I735 HydrophobicContact CB-CD1 3.86Å; Y36-I735 HydrophobicContact CD1-CB 3.94Å; Y36-I735 HydrophobicContact CD1-CD1 4.43Å; Y36-I735 HydrophobicContact CD1-CG2 3.87Å; Y36-I735 HydrophobicContact CD2-CG2 3.82Å; Y36-I735 HydrophobicContact CE1-CB 3.84Å; Y36-I735 HydrophobicContact CE1-CD1 3.6Å; Y36-I735 HydrophobicContact CE1-CG1 4.32Å; Y36-I735 HydrophobicContact CE1-CG2 3.63Å; Y36-I735 HydrophobicContact CE2-CG2 3.61Å; Y36-I735 HydrophobicContact CG-CB 4.42Å; Y36-I735 HydrophobicContact CG-CG2 4Å; D731-I735 HydrophobicContact CB-CD1 4.47Å; D731-I735 WeakPolarHBondContact O-CB 3.33Å; D731-I735 VanDerWaalsContact O-CG1 3.23Å; D731-I735 WeakPolarHBondContact O-CG1 3.41Å; D731-I735 PolarHBondContact O-N 3.21Å; I735-G737 VanDerWaalsContact C-N 3.34Å; I735-G737 PolarHBondContact O-N 3.21Å; I735-C738 PolarHBondContact O-N 3.21Å; I735-L739 HydrophobicContact CG2-CD1 3.92Å; I735-L739 HydrophobicContact CG2-CG 4.3Å; I735-L739 VanDerWaalsContact O-CG 3.24Å; I735-L739 WeakPolarHBondContact O-CG 3.37Å; I735-L739 PolarHBondContact O-N 3.04Å |
| 736 | F | 92.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.4 | -48.4 | 174.5 | 168.5 | -108.1 | 0 | 0 | 0 | 111.8 | F37 L732 C738 L739 V740 L742 T747 F751 | F37-F736 HydrophobicContact CB-CD2 3.78Å; F37-F736 HydrophobicContact CB-CE2 3.63Å; F37-F736 HydrophobicContact CB-CZ 4.36Å; F37-F736 HydrophobicContact CD2-CD1 4.5Å; F37-F736 HydrophobicContact CD2-CD2 4.27Å; F37-F736 AromaticContact CD2-CE1 3.96Å; F37-F736 HydrophobicContact CD2-CE1 3.96Å; F37-F736 AromaticContact CD2-CE2 3.7Å; F37-F736 HydrophobicContact CD2-CE2 3.7Å; F37-F736 AromaticContact CD2-CZ 3.52Å; F37-F736 HydrophobicContact CD2-CZ 3.52Å; F37-F736 HydrophobicContact CE2-CZ 4.17Å; F37-F736 HydrophobicContact CG-CD2 4.47Å; F37-F736 AromaticContact CG-CE2 3.95Å; F37-F736 HydrophobicContact CG-CE2 3.95Å; F37-F736 HydrophobicContact CG-CZ 4.21Å; L732-F736 WeakPolarHBondContact O-CB 3.25Å; L732-F736 PolarHBondContact O-N 2.89Å; F736-C738 PolarHBondContact O-N 2.96Å; F736-L739 PolarHBondContact O-N 3.48Å; F736-V740 HydrophobicContact CD2-CG2 3.92Å; F736-V740 HydrophobicContact CE2-CG2 3.45Å; F736-V740 VanDerWaalsContact CE2-CG2 3.45Å; F736-V740 HydrophobicContact CZ-CG2 3.87Å; F736-V740 PolarHBondContact O-N 2.95Å; F736-L742 HydrophobicContact CE1-CD1 4.38Å; F736-T747 HydrophobicContact CD1-CG2 4.42Å; F736-F751 AromaticContact CE1-CD2 3.94Å; F736-F751 HydrophobicContact CE1-CD2 3.94Å; F736-F751 AromaticContact CE1-CE2 3.86Å; F736-F751 HydrophobicContact CE1-CE2 3.86Å; F736-F751 HydrophobicContact CE1-CZ 4.4Å; F736-F751 HydrophobicContact CZ-CE2 4.44Å |
| 737 | G | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A733 S734 I735 L739 V740 G741 L742 | A733-G737 PolarHBondContact O-N 3.24Å; S734-G737 PolarHBondContact O-N 3.45Å; I735-G737 VanDerWaalsContact C-N 3.34Å; I735-G737 PolarHBondContact O-N 3.21Å; G737-L739 PolarHBondContact O-N 2.73Å; G737-V740 PolarHBondContact O-N 2.99Å; G737-G741 CarbonylContact O-C 3.25Å; G737-G741 PolarHBondContact O-N 2.88Å; G737-L742 CarbonylContact C-O 3.53Å; G737-L742 VanDerWaalsContact C-O 3.26Å; G737-L742 PolarHBondContact O-N 3.16Å; G737-L742 VanDerWaalsContact O-O 3.13Å |
| 738 | C | 90.1 | Very high | 91.9 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 17% | 0.169 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | C12 S734 I735 F736 G741 | C12-C738 WeakPolarHBondContact CA-SG 3.48Å; C12-C738 HydrophobicContact CB-CB 3.65Å; C12-C738 WeakPolarHBondContact CB-SG 3.29Å; C12-C738 WeakPolarHBondContact SG-CB 3.48Å; C12-C738 CovalentContact SG-SG 2.04Å; C12-C738 PolarHBondContact SG-SG 3.04Å; S734-C738 WeakPolarHBondContact O-CB 3.11Å; S734-C738 PolarHBondContact O-N 2.83Å; I735-C738 PolarHBondContact O-N 3.21Å; F736-C738 PolarHBondContact O-N 2.96Å; C738-G741 PolarHBondContact O-N 2.88Å |
| 739 | L | 89.5 | Confident | 91.9 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 179 | -70.4 | 170.7 | 0 | 0 | 0 | 112 | K8 E29 R32 A33 Y36 I735 F736 G737 G741 | K8-L739 PolarHBondContact NZ-O 3Å; E29-L739 HydrophobicContact CG-CD2 4.19Å; E29-L739 VanDerWaalsContact OE1-O 3.11Å; R32-L739 HydrophobicContact CB-CD1 3.76Å; A33-L739 HydrophobicContact CB-CB 4.13Å; A33-L739 HydrophobicContact CB-CD1 4.47Å; Y36-L739 HydrophobicContact CD2-CD1 3.59Å; Y36-L739 HydrophobicContact CE2-CD1 4.12Å; Y36-L739 HydrophobicContact CG-CD1 4.39Å; I735-L739 HydrophobicContact CG2-CD1 3.92Å; I735-L739 HydrophobicContact CG2-CG 4.3Å; I735-L739 VanDerWaalsContact O-CG 3.24Å; I735-L739 WeakPolarHBondContact O-CG 3.37Å; I735-L739 PolarHBondContact O-N 3.04Å; F736-L739 PolarHBondContact O-N 3.48Å; G737-L739 PolarHBondContact O-N 2.73Å; L739-G741 VanDerWaalsContact C-N 3.28Å; L739-G741 PolarHBondContact O-N 3.15Å |
| 740 | V | 90.4 | Very high | 91.9 | Very high | 80 Ų | 80 | 21.6 Ų | 21.6 | 49% | 0.485 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -78.3 | -13.1 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | A33 F736 G737 L742 | A33-V740 HydrophobicContact CB-CG2 4.04Å; F736-V740 HydrophobicContact CD2-CG2 3.92Å; F736-V740 HydrophobicContact CE2-CG2 3.45Å; F736-V740 VanDerWaalsContact CE2-CG2 3.45Å; F736-V740 HydrophobicContact CZ-CG2 3.87Å; F736-V740 PolarHBondContact O-N 2.95Å; G737-V740 PolarHBondContact O-N 2.99Å; V740-L742 HydrophobicContact CB-CG 4.47Å; V740-L742 HydrophobicContact CG1-CD1 4.48Å; V740-L742 HydrophobicContact CG1-CG 4.25Å |
| 741 | G | 89 | Confident | 92 | Very high | 44 Ų | 44 | 24.6 Ų | 24.6 | 45% | 0.454 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 22.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G737 C738 L739 Y880 | G737-G741 CarbonylContact O-C 3.25Å; G737-G741 PolarHBondContact O-N 2.88Å; C738-G741 PolarHBondContact O-N 2.88Å; L739-G741 VanDerWaalsContact C-N 3.28Å; L739-G741 PolarHBondContact O-N 3.15Å; G741-Y880 PolarHBondContact O-OH 2.99Å |
| 742 | L | 91.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 24.2 Ų | 24.2 | 22% | 0.22 | 14% | 0.144 | C | C | . | . | trans | -85.7 | 128.8 | 170.8 | -61.9 | 178.7 | 0 | 0 | 0 | 110.3 | F736 G737 V740 V746 T747 F751 Y880 | F736-L742 HydrophobicContact CE1-CD1 4.38Å; G737-L742 CarbonylContact C-O 3.53Å; G737-L742 VanDerWaalsContact C-O 3.26Å; G737-L742 PolarHBondContact O-N 3.16Å; G737-L742 VanDerWaalsContact O-O 3.13Å; V740-L742 HydrophobicContact CB-CG 4.47Å; V740-L742 HydrophobicContact CG1-CD1 4.48Å; V740-L742 HydrophobicContact CG1-CG 4.25Å; L742-V746 HydrophobicContact CD2-CG1 4.32Å; L742-T747 WeakPolarHBondContact CB-OG1 3.35Å; L742-F751 HydrophobicContact CD1-CD2 4.46Å; L742-F751 HydrophobicContact CD1-CE2 3.77Å; L742-Y880 WeakPolarHBondContact CA-OH 3.32Å | ||
| 743 | K | 91.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 23.5 Ų | 23.5 | 44% | 0.443 | 14% | 0.141 | S | C | . | . | trans | -63.9 | 147.4 | 169.9 | -69.3 | -165.9 | -177.8 | 175.5 | 0 | 109.8 | S745 V746 T747 T879 Y880 | K743-S745 PolarHBondContact O-N 3.01Å; K743-V746 HydrophobicContact CB-CG2 4.44Å; K743-V746 PolarHBondContact O-N 3.05Å; K743-T747 PolarHBondContact O-N 3.48Å; K743-T747 PolarHBondContact O-OG1 3.44Å; K743-T879 HydrophobicContact CB-CG2 3.94Å; K743-T879 HydrophobicContact CD-CG2 3.57Å; K743-T879 WeakPolarHBondContact CE-O 3.2Å; K743-T879 HydrophobicContact CG-CG2 4.24Å; K743-T879 PolarHBondContact NZ-O 2.7Å; K743-Y880 HydrophobicContact CG-CE1 4.43Å | ||
| 744 | A | 90 | Very high | 92 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 31% | 0.306 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -52.6 | -41.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D126 V746 T747 A748 | D126-A744 HydrophobicContact CB-CB 4.21Å; A744-V746 PolarHBondContact O-N 3.3Å; A744-T747 PolarHBondContact O-N 3.35Å; A744-A748 VanDerWaalsContact O-CB 3.3Å; A744-A748 WeakPolarHBondContact O-CB 3.38Å; A744-A748 PolarHBondContact O-N 3.42Å |
| 745 | S | 90.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 8% | 0.077 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | K743 A748 I749 T879 | K743-S745 PolarHBondContact O-N 3.01Å; S745-A748 PolarHBondContact O-N 3.18Å; S745-I749 WeakPolarHBondContact O-CG1 3.01Å; S745-I749 WeakPolarHBondContact O-CG2 3.47Å; S745-I749 PolarHBondContact O-N 3.02Å; S745-I749 VanDerWaalsContact O-N 3.09Å; S745-T879 VanDerWaalsContact OG-CG2 3.29Å; S745-T879 WeakPolarHBondContact OG-CG2 3.48Å |
| 746 | V | 94.5 | Very high | 92 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.9 | -44.4 | 176.6 | -178 | 0 | 0 | 0 | 0 | 110.8 | L742 K743 A744 A748 I749 T750 T879 Y880 | L742-V746 HydrophobicContact CD2-CG1 4.32Å; K743-V746 HydrophobicContact CB-CG2 4.44Å; K743-V746 PolarHBondContact O-N 3.05Å; A744-V746 PolarHBondContact O-N 3.3Å; V746-A748 VanDerWaalsContact C-N 3.26Å; V746-A748 PolarHBondContact O-N 3.06Å; V746-I749 WeakPolarHBondContact O-CG1 3.44Å; V746-T750 HydrophobicContact CG1-CG2 4.44Å; V746-T750 WeakPolarHBondContact O-CB 3.25Å; V746-T750 WeakPolarHBondContact O-CG2 3.49Å; V746-T750 PolarHBondContact O-N 3.29Å; V746-T750 PolarHBondContact O-OG1 2.92Å; V746-T879 HydrophobicContact CG2-CG2 3.66Å; V746-Y880 HydrophobicContact CG2-CE2 3.97Å |
| 747 | T | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -40 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | A733 F736 L742 K743 A744 T750 F751 V752 | A733-T747 HydrophobicContact CB-CG2 4.1Å; F736-T747 HydrophobicContact CD1-CG2 4.42Å; L742-T747 WeakPolarHBondContact CB-OG1 3.35Å; K743-T747 PolarHBondContact O-N 3.48Å; K743-T747 PolarHBondContact O-OG1 3.44Å; A744-T747 PolarHBondContact O-N 3.35Å; T747-T750 PolarHBondContact O-OG1 3.11Å; T747-F751 HydrophobicContact CG2-CD2 4.48Å; T747-F751 PolarHBondContact O-N 3.35Å; T747-F751 VanDerWaalsContact O-N 3.08Å; T747-V752 HydrophobicContact CG2-CG2 4.49Å; T747-V752 PolarHBondContact O-N 3.46Å |
| 748 | A | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -64.2 | -53.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L127 A744 S745 V746 T750 A753 | L127-A748 HydrophobicContact CD1-CB 3.99Å; L127-A748 HydrophobicContact CG-CB 4.46Å; L127-A748 WeakPolarHBondContact O-CB 3.12Å; A744-A748 VanDerWaalsContact O-CB 3.3Å; A744-A748 WeakPolarHBondContact O-CB 3.38Å; A744-A748 PolarHBondContact O-N 3.42Å; S745-A748 PolarHBondContact O-N 3.18Å; V746-A748 VanDerWaalsContact C-N 3.26Å; V746-A748 PolarHBondContact O-N 3.06Å; A748-T750 PolarHBondContact O-N 2.81Å; A748-A753 WeakPolarHBondContact O-CB 3.38Å; A748-A753 PolarHBondContact O-N 3.23Å |
| 749 | I | 94.7 | Very high | 91 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -70.3 | -13.8 | -176.2 | 67.7 | 178 | 0 | 0 | 0 | 113.5 | G130 S745 V746 Y871 | G130-I749 WeakPolarHBondContact O-CG2 3.39Å; S745-I749 WeakPolarHBondContact O-CG1 3.01Å; S745-I749 WeakPolarHBondContact O-CG2 3.47Å; S745-I749 PolarHBondContact O-N 3.02Å; S745-I749 VanDerWaalsContact O-N 3.09Å; V746-I749 WeakPolarHBondContact O-CG1 3.44Å; I749-Y871 HydrophobicContact CB-CE1 4.3Å |
| 750 | T | 93.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 14% | 0.135 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -106 | -80.8 | -178 | 56.9 | 0 | 0 | 0 | 0 | 112 | V746 T747 A748 L754 I872 | V746-T750 HydrophobicContact CG1-CG2 4.44Å; V746-T750 WeakPolarHBondContact O-CB 3.25Å; V746-T750 WeakPolarHBondContact O-CG2 3.49Å; V746-T750 PolarHBondContact O-N 3.29Å; V746-T750 PolarHBondContact O-OG1 2.92Å; T747-T750 PolarHBondContact O-OG1 3.11Å; A748-T750 PolarHBondContact O-N 2.81Å; T750-L754 WeakPolarHBondContact O-CB 3.39Å; T750-L754 PolarHBondContact O-N 2.75Å; T750-L754 VanDerWaalsContact O-N 3.11Å; T750-I872 HydrophobicContact CG2-CB 4.44Å; T750-I872 HydrophobicContact CG2-CD1 4.05Å; T750-I872 HydrophobicContact CG2-CG1 4.12Å; T750-I872 HydrophobicContact CG2-CG2 3.5Å |
| 751 | F | 93 | Very high | 90.7 | Very high | 71 Ų | 71 | 24.1 Ų | 24.1 | 31% | 0.311 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -74.9 | -45.9 | -168.3 | -64.5 | -71.5 | 0 | 0 | 0 | 112.5 | F37 L40 F44 F736 L742 T747 G755 | F37-F751 AromaticContact CE2-CD1 3.9Å; F37-F751 HydrophobicContact CE2-CD1 3.9Å; F37-F751 AromaticContact CE2-CE1 3.8Å; F37-F751 HydrophobicContact CE2-CE1 3.8Å; F37-F751 HydrophobicContact CE2-CZ 4.49Å; F37-F751 HydrophobicContact CZ-CE1 4.32Å; L40-F751 HydrophobicContact CD2-CB 4.28Å; F44-F751 WeakPolarHBondContact CZ-O 3.24Å; F736-F751 AromaticContact CE1-CD2 3.94Å; F736-F751 HydrophobicContact CE1-CD2 3.94Å; F736-F751 AromaticContact CE1-CE2 3.86Å; F736-F751 HydrophobicContact CE1-CE2 3.86Å; F736-F751 HydrophobicContact CE1-CZ 4.4Å; F736-F751 HydrophobicContact CZ-CE2 4.44Å; L742-F751 HydrophobicContact CD1-CD2 4.46Å; L742-F751 HydrophobicContact CD1-CE2 3.77Å; T747-F751 HydrophobicContact CG2-CD2 4.48Å; T747-F751 PolarHBondContact O-N 3.35Å; T747-F751 VanDerWaalsContact O-N 3.08Å; F751-G755 PolarHBondContact O-N 2.93Å |
| 752 | V | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -68.9 | -50.8 | -177.9 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | L112 L127 T131 V729 A733 T747 L754 G755 T756 | L112-V752 HydrophobicContact CD2-CG1 3.74Å; L127-V752 HydrophobicContact CD1-CG2 4.29Å; T131-V752 HydrophobicContact CG2-CB 4.32Å; T131-V752 HydrophobicContact CG2-CG1 3.73Å; T131-V752 WeakPolarHBondContact OG1-CG1 3.44Å; V729-V752 HydrophobicContact CG1-CG1 4.23Å; A733-V752 HydrophobicContact CB-CG2 3.47Å; A733-V752 VanDerWaalsContact CB-CG2 3.47Å; T747-V752 HydrophobicContact CG2-CG2 4.49Å; T747-V752 PolarHBondContact O-N 3.46Å; V752-L754 VanDerWaalsContact C-N 3.33Å; V752-L754 PolarHBondContact O-N 2.87Å; V752-G755 PolarHBondContact O-N 2.75Å; V752-G755 VanDerWaalsContact O-N 3.16Å; V752-T756 HydrophobicContact CG1-CG2 4.34Å; V752-T756 WeakPolarHBondContact O-CG2 3.46Å; V752-T756 PolarHBondContact O-N 3.28Å; V752-T756 PolarHBondContact O-OG1 3.03Å |
| 753 | A | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.3 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G134 S135 A748 S757 | G134-A753 VanDerWaalsContact C-CB 3.42Å; S135-A753 WeakPolarHBondContact OG-CA 3.28Å; S135-A753 PolarHBondContact OG-O 3.35Å; A748-A753 WeakPolarHBondContact O-CB 3.38Å; A748-A753 PolarHBondContact O-N 3.23Å; A753-S757 VanDerWaalsContact O-CB 3.23Å; A753-S757 WeakPolarHBondContact O-CB 3.47Å; A753-S757 PolarHBondContact O-N 3.43Å; A753-S757 PolarHBondContact O-OG 2.86Å |
| 754 | L | 91.9 | Very high | 90.1 | Very high | 61 Ų | 61 | 18.9 Ų | 18.9 | 32% | 0.319 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 177.4 | -178 | 152.4 | 0 | 0 | 0 | 110.9 | F138 T750 V752 S757 L758 W868 | F138-L754 HydrophobicContact CE2-CD1 3.94Å; F138-L754 HydrophobicContact CE2-CG 3.96Å; F138-L754 HydrophobicContact CZ-CD1 4.42Å; F138-L754 HydrophobicContact CZ-CG 4.06Å; T750-L754 WeakPolarHBondContact O-CB 3.39Å; T750-L754 PolarHBondContact O-N 2.75Å; T750-L754 VanDerWaalsContact O-N 3.11Å; V752-L754 VanDerWaalsContact C-N 3.33Å; V752-L754 PolarHBondContact O-N 2.87Å; L754-S757 PolarHBondContact O-N 3.35Å; L754-L758 HydrophobicContact CD2-CD2 4.09Å; L754-L758 HydrophobicContact CD2-CG 4.33Å; L754-L758 WeakPolarHBondContact O-CG 3.42Å; L754-L758 PolarHBondContact O-N 3.49Å; L754-W868 HydrophobicContact CD1-CH2 3.92Å; L754-W868 HydrophobicContact CD1-CZ2 4.09Å |
| 755 | G | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F751 V752 S757 | F751-G755 PolarHBondContact O-N 2.93Å; V752-G755 PolarHBondContact O-N 2.75Å; V752-G755 VanDerWaalsContact O-N 3.16Å; G755-S757 VanDerWaalsContact C-N 3.34Å |
| 756 | T | 89.6 | Confident | 89.7 | Confident | 8 Ų | 8 | 21.8 Ų | 21.8 | 5% | 0.049 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73 | -26 | 178.7 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | F44 P108 E109 S135 V752 P759 | F44-T756 HydrophobicContact CE1-CG2 4.25Å; P108-T756 HydrophobicContact CB-CG2 4.09Å; E109-T756 VanDerWaalsContact CD-OG1 3.32Å; E109-T756 WeakPolarHBondContact OE1-CB 3.5Å; E109-T756 PolarHBondContact OE1-OG1 3.26Å; S135-T756 PolarHBondContact OG-OG1 3.35Å; V752-T756 HydrophobicContact CG1-CG2 4.34Å; V752-T756 WeakPolarHBondContact O-CG2 3.46Å; V752-T756 PolarHBondContact O-N 3.28Å; V752-T756 PolarHBondContact O-OG1 3.03Å; T756-P759 WeakPolarHBondContact O-CD 3.23Å |
| 757 | S | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -2.7 | 179 | -54.9 | 0 | 0 | 0 | 0 | 114.7 | S135 F138 A753 L754 G755 D760 T761 | S135-S757 VanDerWaalsContact CB-OG 3.31Å; S135-S757 WeakPolarHBondContact CB-OG 3.27Å; S135-S757 PolarHBondContact OG-OG 2.9Å; F138-S757 VanDerWaalsContact CD1-CB 3.44Å; A753-S757 VanDerWaalsContact O-CB 3.23Å; A753-S757 WeakPolarHBondContact O-CB 3.47Å; A753-S757 PolarHBondContact O-N 3.43Å; A753-S757 PolarHBondContact O-OG 2.86Å; L754-S757 PolarHBondContact O-N 3.35Å; G755-S757 VanDerWaalsContact C-N 3.34Å; S757-D760 PolarHBondContact O-N 2.96Å; S757-T761 PolarHBondContact O-N 3.36Å; S757-T761 PolarHBondContact O-OG1 3.4Å |
| 758 | L | 84.8 | Confident | 88.9 | Confident | 52 Ų | 52 | 21.4 Ų | 21.4 | 27% | 0.272 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -59 | -47.7 | 178.4 | -72.6 | 179.2 | 0 | 0 | 0 | 113 | M323 L754 D760 T761 F762 | M323-L758 HydrophobicContact CE-CB 4.36Å; L754-L758 HydrophobicContact CD2-CD2 4.09Å; L754-L758 HydrophobicContact CD2-CG 4.33Å; L754-L758 WeakPolarHBondContact O-CG 3.42Å; L754-L758 PolarHBondContact O-N 3.49Å; L758-D760 PolarHBondContact O-N 3.07Å; L758-T761 VanDerWaalsContact O-CB 3.32Å; L758-T761 WeakPolarHBondContact O-CB 3.34Å; L758-T761 PolarHBondContact O-N 3.03Å; L758-F762 VanDerWaalsContact O-CD2 3.27Å; L758-F762 WeakPolarHBondContact O-CD2 3.43Å; L758-F762 PolarHBondContact O-N 2.82Å; L758-F762 VanDerWaalsContact O-N 3.12Å |
| 759 | P | 79.7 | Confident | 88.6 | Confident | 15 Ų | 15 | 25.3 Ų | 25.3 | 10% | 0.097 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.3 | -39.4 | 176.5 | -25.8 | 36.4 | 0 | 0 | 0 | 112.5 | A48 S319 I320 T756 T761 F762 A763 | A48-P759 HydrophobicContact CB-CG 4.06Å; S319-P759 PolarHBondContact OG-O 3.05Å; I320-P759 HydrophobicContact CD1-CB 4.29Å; I320-P759 HydrophobicContact CG1-CB 4.08Å; T756-P759 WeakPolarHBondContact O-CD 3.23Å; P759-T761 VanDerWaalsContact C-N 3.34Å; P759-T761 PolarHBondContact O-N 2.97Å; P759-F762 PolarHBondContact O-N 2.84Å; P759-A763 VanDerWaalsContact O-CB 3.22Å; P759-A763 WeakPolarHBondContact O-CB 3.31Å; P759-A763 PolarHBondContact O-N 2.87Å |
| 760 | D | 83.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.8 | -33.9 | 177.2 | -83.3 | -19.1 | 0 | 0 | 0 | 113.2 | S105 I143 R316 S757 L758 S764 | S105-D760 WeakPolarHBondContact CB-OD1 3.39Å; S105-D760 VanDerWaalsContact CB-OD2 3.32Å; S105-D760 WeakPolarHBondContact CB-OD2 3.32Å; S105-D760 PolarHBondContact OG-OD2 3.36Å; I143-D760 HydrophobicContact CD1-CB 3.85Å; R316-D760 IonicContact CZ-OD1 3.52Å; R316-D760 IonicContact NE-OD1 2.86Å; R316-D760 PolarHBondContact NE-OD1 3.31Å; R316-D760 IonicContact NH2-OD1 2.6Å; R316-D760 PolarHBondContact NH2-OD1 3.5Å; R316-D760 IonicContact NH2-OD2 3.91Å; R316-D760 PolarHBondContact NH2-OD2 2.87Å; S757-D760 PolarHBondContact O-N 2.96Å; L758-D760 PolarHBondContact O-N 3.07Å; D760-S764 VanDerWaalsContact O-CB 3.24Å; D760-S764 WeakPolarHBondContact O-CB 3.19Å; D760-S764 PolarHBondContact O-N 3.36Å; D760-S764 PolarHBondContact O-OG 3.39Å |
| 761 | T | 89 | Confident | 87.1 | Confident | 16 Ų | 16 | 29 Ų | 29 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -51.1 | 176 | -56 | 0 | 0 | 0 | 0 | 110.8 | F138 I143 V146 S757 L758 P759 K765 | F138-T761 VanDerWaalsContact CE1-OG1 3.28Å; F138-T761 WeakPolarHBondContact CE1-OG1 3.42Å; I143-T761 WeakPolarHBondContact CD1-OG1 3.49Å; I143-T761 HydrophobicContact CG1-CG2 4.36Å; I143-T761 WeakPolarHBondContact CG1-OG1 3.31Å; V146-T761 HydrophobicContact CG1-CG2 4.28Å; V146-T761 HydrophobicContact CG2-CG2 4.32Å; S757-T761 PolarHBondContact O-N 3.36Å; S757-T761 PolarHBondContact O-OG1 3.4Å; L758-T761 VanDerWaalsContact O-CB 3.32Å; L758-T761 WeakPolarHBondContact O-CB 3.34Å; L758-T761 PolarHBondContact O-N 3.03Å; P759-T761 VanDerWaalsContact C-N 3.34Å; P759-T761 PolarHBondContact O-N 2.97Å; T761-K765 WeakPolarHBondContact O-CB 3.31Å; T761-K765 PolarHBondContact O-N 3.43Å |
| 762 | F | 86.5 | Confident | 86.6 | Confident | 78 Ų | 78 | 36.9 Ų | 36.9 | 34% | 0.342 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.9 | -36.3 | -178.9 | -71.4 | -80.7 | 0 | 0 | 0 | 111.7 | M323 L758 P759 K765 L766 | M323-F762 HydrophobicContact CE-CD2 3.93Å; M323-F762 HydrophobicContact CE-CE2 3.82Å; M323-F762 HydrophobicContact CG-CD1 4.43Å; M323-F762 HydrophobicContact CG-CD2 3.81Å; M323-F762 HydrophobicContact CG-CE2 3.97Å; M323-F762 HydrophobicContact CG-CG 4.06Å; M323-F762 HydrophobicContact CG-CZ 4.34Å; M323-F762 HydrophobicContact SD-CB 4.18Å; M323-F762 HydrophobicContact SD-CD2 3.2Å; M323-F762 WeakPolarHBondContact SD-CD2 3.47Å; M323-F762 HydrophobicContact SD-CE2 3.65Å; M323-F762 HydrophobicContact SD-CG 3.83Å; L758-F762 VanDerWaalsContact O-CD2 3.27Å; L758-F762 WeakPolarHBondContact O-CD2 3.43Å; L758-F762 PolarHBondContact O-N 2.82Å; L758-F762 VanDerWaalsContact O-N 3.12Å; P759-F762 PolarHBondContact O-N 2.84Å; F762-K765 PolarHBondContact O-N 3.32Å; F762-L766 WeakPolarHBondContact O-CB 3.32Å; F762-L766 WeakPolarHBondContact O-CG 3.43Å; F762-L766 PolarHBondContact O-N 3.34Å |
| 763 | A | 83.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -49.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R316 S319 P759 K765 L766 A767 | R316-A763 HydrophobicContact CB-CB 4.08Å; R316-A763 HydrophobicContact CG-CB 3.3Å; S319-A763 PolarHBondContact OG-N 2.79Å; P759-A763 VanDerWaalsContact O-CB 3.22Å; P759-A763 WeakPolarHBondContact O-CB 3.31Å; P759-A763 PolarHBondContact O-N 2.87Å; A763-K765 VanDerWaalsContact C-N 3.32Å; A763-K765 PolarHBondContact O-N 2.86Å; A763-L766 PolarHBondContact O-N 3.3Å; A763-A767 WeakPolarHBondContact O-CB 3.04Å; A763-A767 PolarHBondContact O-N 2.95Å |
| 764 | S | 89.2 | Confident | 86 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.6 | -36.6 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | I143 C147 D760 A768 A777 | I143-S764 VanDerWaalsContact CG2-CB 3.42Å; C147-S764 VanDerWaalsContact SG-C 3.56Å; C147-S764 VanDerWaalsContact SG-CB 3.57Å; C147-S764 PolarHBondContact SG-O 2.93Å; D760-S764 VanDerWaalsContact O-CB 3.24Å; D760-S764 WeakPolarHBondContact O-CB 3.19Å; D760-S764 PolarHBondContact O-N 3.36Å; D760-S764 PolarHBondContact O-OG 3.39Å; S764-A768 VanDerWaalsContact O-CB 3.24Å; S764-A768 WeakPolarHBondContact O-CB 3.5Å; S764-A768 PolarHBondContact O-N 3.28Å; S764-A777 WeakPolarHBondContact O-CB 3.29Å |
| 765 | K | 90.6 | Very high | 85.7 | Confident | 71 Ų | 71 | 35.8 Ų | 35.8 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61 | -49.7 | 171 | 172.6 | 173.3 | -179.9 | -173 | 0 | 112.4 | V146 S150 T761 F762 A763 A767 A768 Q769 | V146-K765 HydrophobicContact CG1-CB 4.05Å; V146-K765 HydrophobicContact CG1-CD 4.08Å; V146-K765 HydrophobicContact CG1-CG 4.34Å; S150-K765 WeakPolarHBondContact OG-CG 3.45Å; T761-K765 WeakPolarHBondContact O-CB 3.31Å; T761-K765 PolarHBondContact O-N 3.43Å; F762-K765 PolarHBondContact O-N 3.32Å; A763-K765 VanDerWaalsContact C-N 3.32Å; A763-K765 PolarHBondContact O-N 2.86Å; K765-A767 VanDerWaalsContact C-N 3.34Å; K765-A767 PolarHBondContact O-N 3.26Å; K765-A768 CarbonylContact O-C 3.57Å; K765-A768 PolarHBondContact O-N 3.48Å; K765-Q769 WeakPolarHBondContact O-CG 3.26Å; K765-Q769 PolarHBondContact O-N 2.97Å |
| 766 | L | 82.4 | Confident | 85.1 | Confident | 38 Ų | 38 | 36.9 Ų | 36.9 | 20% | 0.199 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 179.4 | -75 | 179.7 | 0 | 0 | 0 | 111.2 | Y315 M318 F762 A763 Q769 Q770 | Y315-L766 HydrophobicContact CD1-CB 3.84Å; M318-L766 HydrophobicContact CB-CD1 4.47Å; F762-L766 WeakPolarHBondContact O-CB 3.32Å; F762-L766 WeakPolarHBondContact O-CG 3.43Å; F762-L766 PolarHBondContact O-N 3.34Å; A763-L766 PolarHBondContact O-N 3.3Å; L766-Q769 PolarHBondContact O-N 3.49Å; L766-Q770 WeakPolarHBondContact O-CB 3.33Å; L766-Q770 WeakPolarHBondContact O-CG 3.32Å; L766-Q770 PolarHBondContact O-N 3.47Å |
| 767 | A | 83.4 | Confident | 85 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y315 A763 K765 Q769 Q770 D771 N776 A777 | Y315-A767 HydrophobicContact CD1-CB 4.2Å; Y315-A767 HydrophobicContact CD2-CB 3.78Å; Y315-A767 HydrophobicContact CE2-CB 4.1Å; Y315-A767 HydrophobicContact CG-CB 3.84Å; A763-A767 WeakPolarHBondContact O-CB 3.04Å; A763-A767 PolarHBondContact O-N 2.95Å; K765-A767 VanDerWaalsContact C-N 3.34Å; K765-A767 PolarHBondContact O-N 3.26Å; A767-Q769 PolarHBondContact O-N 3.27Å; A767-Q769 VanDerWaalsContact O-N 3.17Å; A767-Q770 PolarHBondContact O-N 3.36Å; A767-D771 WeakPolarHBondContact O-CB 3.35Å; A767-D771 PolarHBondContact O-N 3.05Å; A767-N776 HydrophobicContact CB-CB 4.03Å; A767-A777 HydrophobicContact CB-CB 4.14Å |
| 768 | A | 89.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -23.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C147 V151 K157 S764 K765 A777 L850 | C147-A768 HydrophobicContact CB-CB 4.03Å; V151-A768 WeakPolarHBondContact CG2-O 3.37Å; K157-A768 WeakPolarHBondContact CD-O 3.43Å; K157-A768 VanDerWaalsContact CE-O 3.28Å; K157-A768 WeakPolarHBondContact CE-O 3.06Å; K157-A768 PolarHBondContact NZ-O 3.07Å; S764-A768 VanDerWaalsContact O-CB 3.24Å; S764-A768 WeakPolarHBondContact O-CB 3.5Å; S764-A768 PolarHBondContact O-N 3.28Å; K765-A768 CarbonylContact O-C 3.57Å; K765-A768 PolarHBondContact O-N 3.48Å; A768-A777 HydrophobicContact CB-CB 3.89Å; A768-L850 HydrophobicContact CB-CD1 4.02Å |
| 769 | Q | 87 | Confident | 84.7 | Confident | 82 Ų | 82 | 34.4 Ų | 34.4 | 38% | 0.383 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -87.3 | -45 | 175.7 | -73.5 | 179 | -34.4 | 0 | 0 | 112.5 | S150 K157 K765 L766 A767 | S150-Q769 WeakPolarHBondContact O-CG 3.25Å; K157-Q769 PolarHBondContact NZ-O 3.41Å; K765-Q769 WeakPolarHBondContact O-CG 3.26Å; K765-Q769 PolarHBondContact O-N 2.97Å; L766-Q769 PolarHBondContact O-N 3.49Å; A767-Q769 PolarHBondContact O-N 3.27Å; A767-Q769 VanDerWaalsContact O-N 3.17Å |
| 770 | Q | 79.5 | Confident | 84.6 | Confident | 84 Ų | 84 | 34 Ų | 34 | 39% | 0.393 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -94.5 | -31.7 | -166.7 | -61.2 | -178 | 11 | 0 | 0 | 114.1 | Y315 L766 A767 | Y315-Q770 HydrophobicContact CE1-CB 3.78Å; Y315-Q770 HydrophobicContact CE1-CG 4.3Å; L766-Q770 WeakPolarHBondContact O-CB 3.33Å; L766-Q770 WeakPolarHBondContact O-CG 3.32Å; L766-Q770 PolarHBondContact O-N 3.47Å; A767-Q770 PolarHBondContact O-N 3.36Å |
| 771 | D | 77.6 | Confident | 84.8 | Confident | 24 Ų | 24 | 33.8 Ų | 33.8 | 13% | 0.128 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -76.5 | 154.2 | -178.2 | -77.2 | -29.7 | 0 | 0 | 0 | 112.8 | K157 Y315 A767 T773 N776 | K157-D771 WeakPolarHBondContact CD-O 3.47Å; K157-D771 WeakPolarHBondContact CE-O 3.44Å; K157-D771 PolarHBondContact NZ-O 3.29Å; Y315-D771 WeakPolarHBondContact CE2-OD1 3.37Å; Y315-D771 WeakPolarHBondContact CE2-OD2 3.2Å; Y315-D771 VanDerWaalsContact CZ-OD1 3.31Å; Y315-D771 PolarHBondContact OH-OD1 2.64Å; A767-D771 WeakPolarHBondContact O-CB 3.35Å; A767-D771 PolarHBondContact O-N 3.05Å; D771-T773 VanDerWaalsContact C-N 3.29Å; D771-N776 VanDerWaalsContact OD2-CB 3.25Å; D771-N776 WeakPolarHBondContact OD2-CB 3.33Å; D771-N776 PolarHBondContact OD2-ND2 2.94Å |
| 772 | R | 82.4 | Confident | 84.7 | Confident | 236 Ų | 236 | 33.2 Ų | 33.2 | 89% | 0.891 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -72.8 | -25.9 | 174.2 | -64.4 | -177.5 | -179.5 | -178.6 | 0.6 | 112.5 | ||
| 773 | T | 87.8 | Confident | 84.6 | Confident | 23 Ų | 23 | 29.6 Ų | 29.6 | 14% | 0.141 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -119.3 | 171.6 | -174 | 76.8 | 0 | 0 | 0 | 0 | 111.1 | R158 E160 D771 D775 | R158-T773 WeakPolarHBondContact O-CA 3.05Å; R158-T773 WeakPolarHBondContact O-CB 3.28Å; E160-T773 HydrophobicContact CB-CG2 4.37Å; E160-T773 HydrophobicContact CG-CG2 3.56Å; E160-T773 VanDerWaalsContact OE1-CG2 3.27Å; E160-T773 WeakPolarHBondContact OE1-CG2 2.95Å; D771-T773 VanDerWaalsContact C-N 3.29Å; T773-D775 WeakPolarHBondContact CB-OD2 2.93Å; T773-D775 PolarHBondContact OG1-N 3.19Å; T773-D775 PolarHBondContact OG1-OD2 2.85Å |
| 774 | A | 88.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -92.6 | 0.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K157 R158 I159 N776 A777 I778 L850 | K157-A774 HydrophobicContact CB-CB 4.34Å; R158-A774 PolarHBondContact O-N 3.18Å; I159-A774 HydrophobicContact CG1-CB 3.8Å; A774-N776 PolarHBondContact O-N 3.22Å; A774-A777 PolarHBondContact O-N 2.78Å; A774-I778 PolarHBondContact O-N 2.88Å; A774-L850 HydrophobicContact CB-CD1 3.59Å; A774-L850 HydrophobicContact CB-CG 3.84Å |
| 775 | D | 84.7 | Confident | 84.8 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 9% | 0.086 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | -169.3 | -64.4 | -82 | 0 | 0 | 0 | 113.9 | I159 E160 N161 R312 T773 G779 | I159-D775 WeakPolarHBondContact CG2-OD1 3.04Å; E160-D775 PolarHBondContact N-OD1 3.22Å; E160-D775 VanDerWaalsContact N-OD1 3.16Å; E160-D775 PolarHBondContact N-OD2 2.97Å; N161-D775 WeakPolarHBondContact CB-OD1 3.14Å; N161-D775 PolarHBondContact N-OD1 3.05Å; R312-D775 PolarHBondContact NH2-O 3.48Å; T773-D775 WeakPolarHBondContact CB-OD2 2.93Å; T773-D775 PolarHBondContact OG1-N 3.19Å; T773-D775 PolarHBondContact OG1-OD2 2.85Å; D775-G779 WeakPolarHBondContact O-CA 3.3Å; D775-G779 PolarHBondContact O-N 2.98Å; D775-G779 VanDerWaalsContact O-N 3.12Å |
| 776 | N | 79.4 | Confident | 84.8 | Confident | 27 Ų | 27 | 26.3 Ų | 26.3 | 14% | 0.144 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -79.5 | -39.9 | 179.7 | -72.7 | -22.6 | 0 | 0 | 0 | 111.9 | R310 R312 A767 D771 A774 N780 | R310-N776 PolarHBondContact O-ND2 2.85Å; R312-N776 HydrophobicContact CG-CB 3.9Å; R312-N776 WeakPolarHBondContact CG-OD1 3.2Å; A767-N776 HydrophobicContact CB-CB 4.03Å; D771-N776 VanDerWaalsContact OD2-CB 3.25Å; D771-N776 WeakPolarHBondContact OD2-CB 3.33Å; D771-N776 PolarHBondContact OD2-ND2 2.94Å; A774-N776 PolarHBondContact O-N 3.22Å; N776-N780 WeakPolarHBondContact O-CB 3.45Å; N776-N780 PolarHBondContact O-N 3.22Å; N776-N780 PolarHBondContact O-ND2 3.46Å; N776-N780 PolarHBondContact O-OD1 2.72Å |
| 777 | A | 86.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -52.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S764 A767 A768 A774 L850 | S764-A777 WeakPolarHBondContact O-CB 3.29Å; A767-A777 HydrophobicContact CB-CB 4.14Å; A768-A777 HydrophobicContact CB-CB 3.89Å; A774-A777 PolarHBondContact O-N 2.78Å; A777-L850 HydrophobicContact CB-CD1 4Å |
| 778 | I | 87.7 | Confident | 85.5 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -79.9 | -34.8 | -178.9 | -63.9 | -59.3 | 0 | 0 | 0 | 111.6 | T144 I159 F165 A774 N780 V781 T782 L850 | T144-I778 HydrophobicContact CG2-CD1 3.99Å; I159-I778 HydrophobicContact CD1-CB 4.16Å; I159-I778 HydrophobicContact CD1-CG1 4.43Å; I159-I778 HydrophobicContact CD1-CG2 4.02Å; F165-I778 HydrophobicContact CD2-CG2 3.85Å; F165-I778 HydrophobicContact CE2-CG2 3.45Å; F165-I778 VanDerWaalsContact CE2-CG2 3.45Å; F165-I778 HydrophobicContact CZ-CG2 4.49Å; A774-I778 PolarHBondContact O-N 2.88Å; I778-N780 VanDerWaalsContact C-N 3.27Å; I778-N780 PolarHBondContact O-N 3.42Å; I778-V781 WeakPolarHBondContact O-CB 3.5Å; I778-V781 PolarHBondContact O-N 3.46Å; I778-V781 VanDerWaalsContact O-N 3.16Å; I778-T782 PolarHBondContact O-N 2.88Å; I778-L850 HydrophobicContact CD1-CD2 3.98Å; I778-L850 HydrophobicContact CG1-CD2 4.29Å |
| 779 | G | 80.5 | Confident | 85.7 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 5% | 0.052 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72.1 | -19.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R312 D775 G783 | R312-G779 VanDerWaalsContact CZ-C 3.49Å; R312-G779 PolarHBondContact NH1-O 2.66Å; R312-G779 VanDerWaalsContact NH2-CA 3.33Å; D775-G779 WeakPolarHBondContact O-CA 3.3Å; D775-G779 PolarHBondContact O-N 2.98Å; D775-G779 VanDerWaalsContact O-N 3.12Å; G779-G783 PolarHBondContact O-N 2.89Å |
| 780 | N | 78.4 | Confident | 86.1 | Confident | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 167.2 | -80.9 | -7.3 | 0 | 0 | 0 | 111.2 | R312 N776 I778 S784 | R312-N780 WeakPolarHBondContact CB-OD1 3.45Å; R312-N780 WeakPolarHBondContact CD-OD1 3.24Å; R312-N780 WeakPolarHBondContact CG-OD1 3.43Å; N776-N780 WeakPolarHBondContact O-CB 3.45Å; N776-N780 PolarHBondContact O-N 3.22Å; N776-N780 PolarHBondContact O-ND2 3.46Å; N776-N780 PolarHBondContact O-OD1 2.72Å; I778-N780 VanDerWaalsContact C-N 3.27Å; I778-N780 PolarHBondContact O-N 3.42Å; N780-S784 WeakPolarHBondContact O-CB 3.38Å; N780-S784 PolarHBondContact O-N 2.92Å |
| 781 | V | 87.1 | Confident | 86.7 | Confident | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -53 | -179.5 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | N139 L140 I143 I778 G783 S784 N785 | N139-V781 VanDerWaalsContact C-CG1 3.47Å; N139-V781 HydrophobicContact CB-CG1 4.16Å; N139-V781 WeakPolarHBondContact O-CG1 3.26Å; N139-V781 WeakPolarHBondContact O-CG2 3.34Å; L140-V781 HydrophobicContact CB-CG1 4.46Å; L140-V781 HydrophobicContact CD1-CG1 4.16Å; I143-V781 HydrophobicContact CB-CG2 4.13Å; I143-V781 HydrophobicContact CG2-CG2 3.78Å; I778-V781 WeakPolarHBondContact O-CB 3.5Å; I778-V781 PolarHBondContact O-N 3.46Å; I778-V781 VanDerWaalsContact O-N 3.16Å; V781-G783 PolarHBondContact O-N 3Å; V781-S784 PolarHBondContact O-N 3.44Å; V781-N785 PolarHBondContact O-N 2.86Å; V781-N785 VanDerWaalsContact O-N 3.12Å; V781-N785 PolarHBondContact O-OD1 3.25Å |
| 782 | T | 87.3 | Confident | 87.3 | Confident | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.4 | -33.9 | -176.9 | 59.8 | 0 | 0 | 0 | 0 | 113 | F165 T168 I778 S786 | F165-T782 HydrophobicContact CE2-CG2 4.3Å; T168-T782 PolarHBondContact OG1-OG1 3.42Å; I778-T782 PolarHBondContact O-N 2.88Å; T782-S786 PolarHBondContact O-N 3.2Å; T782-S786 PolarHBondContact O-OG 3.48Å |
| 783 | G | 83.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 5.8 Ų | 5.8 | 2% | 0.021 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.8 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G779 V781 S786 V787 | G779-G783 PolarHBondContact O-N 2.89Å; V781-G783 PolarHBondContact O-N 3Å; G783-S786 PolarHBondContact O-N 3.43Å; G783-V787 WeakPolarHBondContact O-CG2 3.22Å; G783-V787 PolarHBondContact O-N 2.87Å |
| 784 | S | 87.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 4.8 Ų | 4.8 | 1% | 0.007 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | S106 N139 N780 V781 S786 V787 N788 | S106-S784 PolarHBondContact OG-OG 3.44Å; N139-S784 PolarHBondContact ND2-OG 3.12Å; N780-S784 WeakPolarHBondContact O-CB 3.38Å; N780-S784 PolarHBondContact O-N 2.92Å; V781-S784 PolarHBondContact O-N 3.44Å; S784-S786 VanDerWaalsContact C-N 3.29Å; S784-S786 PolarHBondContact O-N 2.59Å; S784-V787 PolarHBondContact O-N 3.36Å; S784-N788 VanDerWaalsContact O-CG 3.27Å; S784-N788 PolarHBondContact O-N 3.02Å; S784-N788 PolarHBondContact O-OD1 2.98Å; S784-N788 VanDerWaalsContact O-OD1 3.12Å |
| 785 | N | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 179.1 | -74.3 | 12.8 | 0 | 0 | 0 | 113 | A136 N139 S172 Y176 V781 | A136-N785 WeakPolarHBondContact CA-OD1 3.49Å; A136-N785 PolarHBondContact O-ND2 2.84Å; N139-N785 VanDerWaalsContact CB-OD1 3.29Å; N139-N785 WeakPolarHBondContact CB-OD1 3.44Å; N139-N785 PolarHBondContact ND2-OD1 2.97Å; S172-N785 VanDerWaalsContact OG-CB 3.27Å; S172-N785 WeakPolarHBondContact OG-CB 3.45Å; Y176-N785 HydrophobicContact CE2-CB 4.36Å; Y176-N785 PolarHBondContact OH-O 3.05Å; V781-N785 PolarHBondContact O-N 2.86Å; V781-N785 VanDerWaalsContact O-N 3.12Å; V781-N785 PolarHBondContact O-OD1 3.25Å |
| 786 | S | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.9 | -40.3 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | S172 L206 T782 G783 S784 F790 | S172-S786 VanDerWaalsContact CA-OG 3.24Å; S172-S786 WeakPolarHBondContact CA-OG 3.44Å; S172-S786 WeakPolarHBondContact CB-OG 3.27Å; S172-S786 PolarHBondContact N-OG 3.02Å; L206-S786 VanDerWaalsContact CD2-CB 3.48Å; T782-S786 PolarHBondContact O-N 3.2Å; T782-S786 PolarHBondContact O-OG 3.48Å; G783-S786 PolarHBondContact O-N 3.43Å; S784-S786 VanDerWaalsContact C-N 3.29Å; S784-S786 PolarHBondContact O-N 2.59Å; S786-F790 VanDerWaalsContact O-CD2 3.27Å; S786-F790 WeakPolarHBondContact O-CD2 3.24Å; S786-F790 PolarHBondContact O-N 3.47Å |
| 787 | V | 90.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.006 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 178.6 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | A102 I110 F203 G783 S784 V789 L791 G792 | A102-V787 HydrophobicContact CB-CB 4.38Å; A102-V787 HydrophobicContact CB-CG2 3.64Å; I110-V787 HydrophobicContact CD1-CG1 4.16Å; F203-V787 HydrophobicContact CD2-CG2 4.37Å; F203-V787 HydrophobicContact CE2-CG2 3.72Å; G783-V787 WeakPolarHBondContact O-CG2 3.22Å; G783-V787 PolarHBondContact O-N 2.87Å; S784-V787 PolarHBondContact O-N 3.36Å; V787-V789 PolarHBondContact O-N 3.17Å; V787-L791 HydrophobicContact CG1-CB 4.22Å; V787-L791 HydrophobicContact CG1-CD2 4.33Å; V787-L791 WeakPolarHBondContact O-CA 3.26Å; V787-L791 WeakPolarHBondContact O-CB 3.37Å; V787-L791 PolarHBondContact O-N 2.89Å; V787-G792 PolarHBondContact O-N 3.45Å |
| 788 | N | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -55 | -38.7 | 179 | -72.6 | 5.6 | 0 | 0 | 0 | 111.9 | S106 I132 S784 G792 L793 | S106-N788 WeakPolarHBondContact CB-OD1 3.38Å; S106-N788 PolarHBondContact OG-OD1 3.49Å; S106-N788 VanDerWaalsContact OG-OD1 3.04Å; I132-N788 HydrophobicContact CG2-CB 3.94Å; S784-N788 VanDerWaalsContact O-CG 3.27Å; S784-N788 PolarHBondContact O-N 3.02Å; S784-N788 PolarHBondContact O-OD1 2.98Å; S784-N788 VanDerWaalsContact O-OD1 3.12Å; N788-G792 CarbonylContact O-C 3.55Å; N788-G792 VanDerWaalsContact O-C 3.28Å; N788-G792 WeakPolarHBondContact O-CA 3.27Å; N788-G792 PolarHBondContact O-N 3.44Å; N788-G792 VanDerWaalsContact O-N 3.15Å; N788-L793 PolarHBondContact O-N 2.99Å |
| 789 | V | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -85 | -60.3 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | A175 Y176 L179 V787 L791 L793 G794 | A175-V789 HydrophobicContact CB-CB 3.75Å; A175-V789 HydrophobicContact CB-CG1 3.84Å; A175-V789 HydrophobicContact CB-CG2 4.08Å; Y176-V789 HydrophobicContact CD1-CG2 4.06Å; Y176-V789 HydrophobicContact CD2-CG2 4.31Å; Y176-V789 HydrophobicContact CE1-CG2 3.53Å; Y176-V789 HydrophobicContact CE2-CG2 3.8Å; Y176-V789 HydrophobicContact CG-CG2 4.41Å; Y176-V789 WeakPolarHBondContact OH-CG2 3.07Å; L179-V789 HydrophobicContact CD1-CB 4.4Å; L179-V789 HydrophobicContact CD1-CG1 3.73Å; L179-V789 HydrophobicContact CD1-CG2 3.82Å; L179-V789 HydrophobicContact CD2-CG1 3.93Å; L179-V789 HydrophobicContact CG-CG1 3.65Å; V787-V789 PolarHBondContact O-N 3.17Å; V789-L791 VanDerWaalsContact C-N 3.27Å; V789-L791 PolarHBondContact O-N 2.63Å; V789-L793 PolarHBondContact O-N 3.4Å; V789-L793 VanDerWaalsContact O-N 3.15Å; V789-G794 PolarHBondContact O-N 3.32Å |
| 790 | F | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -65.1 | -33 | -169.1 | -63.5 | -44 | 0 | 0 | 0 | 112.9 | W171 F174 A175 T199 F202 F203 L206 S786 | W171-F790 HydrophobicContact CB-CE2 4.47Å; W171-F790 AromaticContact CE3-CE2 3.81Å; W171-F790 HydrophobicContact CE3-CE2 3.81Å; W171-F790 AromaticContact CE3-CZ 3.71Å; W171-F790 HydrophobicContact CE3-CZ 3.71Å; W171-F790 HydrophobicContact CZ3-CZ 4.22Å; F174-F790 HydrophobicContact CD1-CE1 4.48Å; F174-F790 HydrophobicContact CD1-CZ 4.07Å; A175-F790 HydrophobicContact CB-CD1 4.25Å; A175-F790 HydrophobicContact CB-CE1 3.64Å; A175-F790 HydrophobicContact CB-CE2 3.95Å; A175-F790 HydrophobicContact CB-CZ 3.45Å; A175-F790 VanDerWaalsContact CB-CZ 3.45Å; T199-F790 HydrophobicContact CG2-CD1 4.29Å; F202-F790 HydrophobicContact CB-CD1 3.66Å; F202-F790 HydrophobicContact CB-CE1 3.54Å; F202-F790 HydrophobicContact CB-CE2 4.4Å; F202-F790 HydrophobicContact CB-CG 4.19Å; F202-F790 HydrophobicContact CB-CZ 3.95Å; F202-F790 HydrophobicContact CD2-CE1 4.06Å; F202-F790 HydrophobicContact CG-CE1 4.19Å; F203-F790 HydrophobicContact CB-CB 3.73Å; F203-F790 HydrophobicContact CB-CG 4.5Å; L206-F790 HydrophobicContact CD2-CD2 4.28Å; L206-F790 HydrophobicContact CD2-CE2 4.34Å; S786-F790 VanDerWaalsContact O-CD2 3.27Å; S786-F790 WeakPolarHBondContact O-CD2 3.24Å; S786-F790 PolarHBondContact O-N 3.47Å |
| 791 | L | 92.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 11 Ų | 11 | 17% | 0.168 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -103.5 | -45.7 | 175.4 | -168.6 | 64.6 | 0 | 0 | 0 | 111.6 | L103 I110 L200 V787 V789 L795 | L103-L791 HydrophobicContact CD1-CD2 3.63Å; I110-L791 HydrophobicContact CD1-CD2 4.23Å; L200-L791 HydrophobicContact CD2-CD1 4.09Å; V787-L791 HydrophobicContact CG1-CB 4.22Å; V787-L791 HydrophobicContact CG1-CD2 4.33Å; V787-L791 WeakPolarHBondContact O-CA 3.26Å; V787-L791 WeakPolarHBondContact O-CB 3.37Å; V787-L791 PolarHBondContact O-N 2.89Å; V789-L791 VanDerWaalsContact C-N 3.27Å; V789-L791 PolarHBondContact O-N 2.63Å; L791-L795 HydrophobicContact CD1-CB 4.43Å; L791-L795 WeakPolarHBondContact O-CB 3.31Å; L791-L795 PolarHBondContact O-N 3.15Å |
| 792 | G | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -72.4 | -33.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | I132 V787 N788 P796 | I132-G792 VanDerWaalsContact CD1-C 3.41Å; I132-G792 WeakPolarHBondContact CD1-O 3.23Å; V787-G792 PolarHBondContact O-N 3.45Å; N788-G792 CarbonylContact O-C 3.55Å; N788-G792 VanDerWaalsContact O-C 3.28Å; N788-G792 WeakPolarHBondContact O-CA 3.27Å; N788-G792 PolarHBondContact O-N 3.44Å; N788-G792 VanDerWaalsContact O-N 3.15Å; G792-P796 WeakPolarHBondContact O-CD 3.25Å; G792-P796 WeakPolarHBondContact O-CG 3.46Å |
| 793 | L | 92.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -95.7 | -39.3 | 167.1 | -75.5 | 176.4 | 0 | 0 | 0 | 111.4 | P129 I132 L179 N788 V789 L795 P796 W797 | P129-L793 HydrophobicContact CB-CD2 3.9Å; P129-L793 HydrophobicContact CG-CD2 3.9Å; I132-L793 HydrophobicContact CB-CG 4.36Å; I132-L793 HydrophobicContact CD1-CD2 3.74Å; I132-L793 HydrophobicContact CD1-CG 3.66Å; I132-L793 HydrophobicContact CG2-CD1 3.83Å; I132-L793 HydrophobicContact CG2-CG 3.89Å; L179-L793 HydrophobicContact CD1-CD1 3.69Å; L179-L793 HydrophobicContact CD2-CD1 3.93Å; L179-L793 HydrophobicContact CG-CD1 4.48Å; N788-L793 PolarHBondContact O-N 2.99Å; V789-L793 PolarHBondContact O-N 3.4Å; V789-L793 VanDerWaalsContact O-N 3.15Å; L793-L795 PolarHBondContact O-N 2.89Å; L793-P796 VanDerWaalsContact O-CD 3.31Å; L793-P796 WeakPolarHBondContact O-CD 3.38Å; L793-P796 WeakPolarHBondContact O-CG 3.39Å; L793-W797 HydrophobicContact CB-CD2 4.38Å; L793-W797 HydrophobicContact CD1-CH2 4.25Å; L793-W797 HydrophobicContact CD1-CZ2 4.26Å; L793-W797 HydrophobicContact CD2-CD2 4.48Å; L793-W797 HydrophobicContact CD2-CZ2 3.8Å; L793-W797 HydrophobicContact CG-CZ2 4.47Å; L793-W797 VanDerWaalsContact O-CB 3.22Å; L793-W797 WeakPolarHBondContact O-CB 3.11Å; L793-W797 VanDerWaalsContact O-CG 3.29Å; L793-W797 PolarHBondContact O-N 3.37Å |
| 794 | G | 93.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.6 | -45.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V789 F798 | V789-G794 PolarHBondContact O-N 3.32Å; G794-F798 WeakPolarHBondContact O-CB 3.16Å; G794-F798 PolarHBondContact O-N 3.11Å |
| 795 | L | 93.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 21.2 Ų | 21.2 | 29% | 0.293 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -67.5 | -55.6 | -179.3 | -176.2 | 62.4 | 0 | 0 | 0 | 113.1 | I114 L200 L791 L793 W797 F798 I799 | I114-L795 HydrophobicContact CD1-CD2 3.93Å; I114-L795 HydrophobicContact CD1-CG 4.5Å; L200-L795 HydrophobicContact CD2-CB 4.18Å; L791-L795 HydrophobicContact CD1-CB 4.43Å; L791-L795 WeakPolarHBondContact O-CB 3.31Å; L791-L795 PolarHBondContact O-N 3.15Å; L793-L795 PolarHBondContact O-N 2.89Å; L795-W797 PolarHBondContact O-N 3.06Å; L795-F798 PolarHBondContact O-N 3.07Å; L795-I799 HydrophobicContact CD1-CD1 4.05Å; L795-I799 HydrophobicContact CD1-CG1 4.45Å; L795-I799 HydrophobicContact CG-CD1 4.03Å; L795-I799 VanDerWaalsContact O-CG1 3.28Å; L795-I799 WeakPolarHBondContact O-CG1 3.19Å; L795-I799 PolarHBondContact O-N 3.5Å |
| 796 | P | 93.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -36.5 | -179.9 | 25.6 | -34.8 | 0 | 0 | 0 | 112.8 | S113 I114 I117 G792 L793 I799 A800 | S113-P796 WeakPolarHBondContact OG-CG 3.26Å; I114-P796 HydrophobicContact CG1-CB 3.92Å; I114-P796 HydrophobicContact CG1-CG 4.28Å; I117-P796 HydrophobicContact CD1-CB 3.69Å; I117-P796 HydrophobicContact CG1-CB 4.37Å; G792-P796 WeakPolarHBondContact O-CD 3.25Å; G792-P796 WeakPolarHBondContact O-CG 3.46Å; L793-P796 VanDerWaalsContact O-CD 3.31Å; L793-P796 WeakPolarHBondContact O-CD 3.38Å; L793-P796 WeakPolarHBondContact O-CG 3.39Å; P796-I799 PolarHBondContact O-N 3.12Å; P796-A800 WeakPolarHBondContact O-CB 2.96Å; P796-A800 PolarHBondContact O-N 3.33Å |
| 797 | W | 94.4 | Very high | 94 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.5 | -34.6 | 176.2 | -68.4 | 3.8 | 0 | 0 | 0 | 112.9 | P129 L179 I182 L183 V191 L793 L795 A800 S801 F811 V813 L818 | P129-W797 HydrophobicContact CB-CZ2 4.34Å; P129-W797 HydrophobicContact CG-CZ2 4.15Å; L179-W797 HydrophobicContact CD2-CH2 4.14Å; L179-W797 HydrophobicContact CD2-CZ3 3.73Å; I182-W797 HydrophobicContact CD1-CE3 4.24Å; I182-W797 HydrophobicContact CD1-CZ3 3.92Å; L183-W797 HydrophobicContact CD1-CH2 4.22Å; L183-W797 HydrophobicContact CD2-CH2 3.96Å; L183-W797 HydrophobicContact CD2-CZ3 4.15Å; L183-W797 HydrophobicContact CG-CH2 4.38Å; V191-W797 HydrophobicContact CG1-CB 4.39Å; V191-W797 HydrophobicContact CG1-CE3 4.33Å; V191-W797 HydrophobicContact CG2-CD2 4.41Å; V191-W797 HydrophobicContact CG2-CE3 3.77Å; V191-W797 HydrophobicContact CG2-CZ3 4Å; L793-W797 HydrophobicContact CB-CD2 4.38Å; L793-W797 HydrophobicContact CD1-CH2 4.25Å; L793-W797 HydrophobicContact CD1-CZ2 4.26Å; L793-W797 HydrophobicContact CD2-CD2 4.48Å; L793-W797 HydrophobicContact CD2-CZ2 3.8Å; L793-W797 HydrophobicContact CG-CZ2 4.47Å; L793-W797 VanDerWaalsContact O-CB 3.22Å; L793-W797 WeakPolarHBondContact O-CB 3.11Å; L793-W797 VanDerWaalsContact O-CG 3.29Å; L793-W797 PolarHBondContact O-N 3.37Å; L795-W797 PolarHBondContact O-N 3.06Å; W797-A800 PolarHBondContact O-N 3.15Å; W797-S801 VanDerWaalsContact O-CB 3.27Å; W797-S801 WeakPolarHBondContact O-CB 3.28Å; W797-S801 PolarHBondContact O-N 2.98Å; W797-S801 PolarHBondContact O-OG 3.25Å; W797-F811 HydrophobicContact CB-CE1 4.05Å; W797-F811 AromaticContact CD1-CE1 3.82Å; W797-F811 AromaticContact CG-CE1 3.89Å; W797-F811 HydrophobicContact CG-CE1 3.89Å; W797-V813 HydrophobicContact CH2-CG1 4.19Å; W797-V813 HydrophobicContact CZ2-CG1 3.95Å; W797-L818 HydrophobicContact CH2-CD2 3.92Å; W797-L818 HydrophobicContact CZ2-CD2 3.91Å |
| 798 | F | 95.2 | Very high | 94.1 | Very high | 60 Ų | 60 | 34.7 Ų | 34.7 | 26% | 0.263 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 169.8 | 171 | -112.4 | 0 | 0 | 0 | 111.2 | V193 V197 L200 G794 L795 A800 S801 V802 | V193-F798 HydrophobicContact CG1-CD2 4.46Å; V193-F798 HydrophobicContact CG1-CE2 4.1Å; V197-F798 HydrophobicContact CG2-CD2 3.68Å; V197-F798 HydrophobicContact CG2-CE2 3.35Å; V197-F798 HydrophobicContact CG2-CZ 4.28Å; L200-F798 HydrophobicContact CD1-CB 3.92Å; L200-F798 HydrophobicContact CD1-CD1 3.88Å; L200-F798 HydrophobicContact CD1-CG 3.91Å; G794-F798 WeakPolarHBondContact O-CB 3.16Å; G794-F798 PolarHBondContact O-N 3.11Å; L795-F798 PolarHBondContact O-N 3.07Å; F798-A800 PolarHBondContact O-N 3.21Å; F798-S801 WeakPolarHBondContact CA-OG 3.1Å; F798-S801 PolarHBondContact O-N 3.47Å; F798-S801 PolarHBondContact O-OG 2.97Å; F798-V802 HydrophobicContact CD2-CG2 3.95Å; F798-V802 HydrophobicContact CE1-CG2 4.42Å; F798-V802 HydrophobicContact CE2-CG2 3.48Å; F798-V802 VanDerWaalsContact CE2-CG2 3.48Å; F798-V802 HydrophobicContact CZ-CG2 3.76Å; F798-V802 WeakPolarHBondContact O-CB 3.37Å; F798-V802 VanDerWaalsContact O-CG2 3.28Å; F798-V802 WeakPolarHBondContact O-CG2 3.12Å; F798-V802 PolarHBondContact O-N 2.66Å |
| 799 | I | 94.7 | Very high | 94.3 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 178 | -67.5 | 165.9 | 0 | 0 | 0 | 110.8 | F122 L795 P796 Y803 | F122-I799 HydrophobicContact CD1-CG2 4.28Å; F122-I799 HydrophobicContact CE1-CG2 3.75Å; L795-I799 HydrophobicContact CD1-CD1 4.05Å; L795-I799 HydrophobicContact CD1-CG1 4.45Å; L795-I799 HydrophobicContact CG-CD1 4.03Å; L795-I799 VanDerWaalsContact O-CG1 3.28Å; L795-I799 WeakPolarHBondContact O-CG1 3.19Å; L795-I799 PolarHBondContact O-N 3.5Å; P796-I799 PolarHBondContact O-N 3.12Å; I799-Y803 WeakPolarHBondContact O-CB 3.17Å; I799-Y803 PolarHBondContact O-N 2.84Å |
| 800 | A | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I117 P796 W797 F798 Y803 W804 F811 | I117-A800 HydrophobicContact CD1-CB 4.22Å; I117-A800 HydrophobicContact CG2-CB 3.83Å; P796-A800 WeakPolarHBondContact O-CB 2.96Å; P796-A800 PolarHBondContact O-N 3.33Å; W797-A800 PolarHBondContact O-N 3.15Å; F798-A800 PolarHBondContact O-N 3.21Å; A800-Y803 WeakPolarHBondContact O-CB 3.39Å; A800-Y803 PolarHBondContact O-N 2.94Å; A800-W804 PolarHBondContact O-N 2.97Å; A800-F811 HydrophobicContact CB-CD1 3.97Å; A800-F811 HydrophobicContact CB-CD2 3.71Å; A800-F811 HydrophobicContact CB-CE1 3.84Å; A800-F811 HydrophobicContact CB-CE2 3.53Å; A800-F811 HydrophobicContact CB-CG 3.94Å; A800-F811 HydrophobicContact CB-CZ 3.62Å |
| 801 | S | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | V191 W797 F798 Y803 W804 A805 | V191-S801 WeakPolarHBondContact O-CB 3.25Å; W797-S801 VanDerWaalsContact O-CB 3.27Å; W797-S801 WeakPolarHBondContact O-CB 3.28Å; W797-S801 PolarHBondContact O-N 2.98Å; W797-S801 PolarHBondContact O-OG 3.25Å; F798-S801 WeakPolarHBondContact CA-OG 3.1Å; F798-S801 PolarHBondContact O-N 3.47Å; F798-S801 PolarHBondContact O-OG 2.97Å; S801-Y803 PolarHBondContact O-N 2.98Å; S801-W804 PolarHBondContact O-N 3.16Å; S801-A805 WeakPolarHBondContact O-CB 3.38Å; S801-A805 PolarHBondContact O-N 3.18Å |
| 802 | V | 96 | Very high | 94.3 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 173.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V193 F798 A805 S806 | V193-V802 HydrophobicContact CG1-CG2 3.85Å; V193-V802 HydrophobicContact CG2-CG2 4.47Å; F798-V802 HydrophobicContact CD2-CG2 3.95Å; F798-V802 HydrophobicContact CE1-CG2 4.42Å; F798-V802 HydrophobicContact CE2-CG2 3.48Å; F798-V802 VanDerWaalsContact CE2-CG2 3.48Å; F798-V802 HydrophobicContact CZ-CG2 3.76Å; F798-V802 WeakPolarHBondContact O-CB 3.37Å; F798-V802 VanDerWaalsContact O-CG2 3.28Å; F798-V802 WeakPolarHBondContact O-CG2 3.12Å; F798-V802 PolarHBondContact O-N 2.66Å; V802-A805 PolarHBondContact O-N 3.42Å; V802-S806 PolarHBondContact O-N 2.91Å |
| 803 | Y | 96.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 46.5 Ų | 46.5 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 177.6 | 176.6 | -94.1 | 0 | 0 | 0 | 112.2 | F122 I799 A800 S801 S806 K807 | F122-Y803 HydrophobicContact CB-CD1 3.44Å; F122-Y803 VanDerWaalsContact CB-CD1 3.44Å; F122-Y803 HydrophobicContact CB-CE1 3.76Å; F122-Y803 HydrophobicContact CB-CG 3.96Å; F122-Y803 HydrophobicContact CD1-CD1 4.33Å; F122-Y803 HydrophobicContact CD1-CD2 4.34Å; F122-Y803 AromaticContact CD1-CG 3.96Å; F122-Y803 HydrophobicContact CD1-CG 3.96Å; F122-Y803 AromaticContact CD2-CD1 3.76Å; F122-Y803 HydrophobicContact CD2-CD1 3.76Å; F122-Y803 AromaticContact CD2-CD2 3.71Å; F122-Y803 HydrophobicContact CD2-CD2 3.71Å; F122-Y803 AromaticContact CD2-CE1 3.63Å; F122-Y803 HydrophobicContact CD2-CE1 3.63Å; F122-Y803 AromaticContact CD2-CE2 3.56Å; F122-Y803 HydrophobicContact CD2-CE2 3.56Å; F122-Y803 AromaticContact CD2-CG 3.77Å; F122-Y803 HydrophobicContact CD2-CG 3.77Å; F122-Y803 AromaticContact CD2-CZ 3.48Å; F122-Y803 VanDerWaalsContact CD2-CZ 3.48Å; F122-Y803 HydrophobicContact CE1-CD2 4.38Å; F122-Y803 HydrophobicContact CE1-CG 4.41Å; F122-Y803 AromaticContact CE2-CD2 3.77Å; F122-Y803 HydrophobicContact CE2-CD2 3.77Å; F122-Y803 AromaticContact CE2-CE2 3.62Å; F122-Y803 HydrophobicContact CE2-CE2 3.62Å; F122-Y803 HydrophobicContact CE2-CG 4.24Å; F122-Y803 AromaticContact CE2-CZ 3.98Å; F122-Y803 AromaticContact CG-CD1 3.58Å; F122-Y803 HydrophobicContact CG-CD1 3.58Å; F122-Y803 HydrophobicContact CG-CD2 4.01Å; F122-Y803 AromaticContact CG-CE1 3.89Å; F122-Y803 HydrophobicContact CG-CE1 3.89Å; F122-Y803 HydrophobicContact CG-CE2 4.28Å; F122-Y803 AromaticContact CG-CG 3.61Å; F122-Y803 HydrophobicContact CG-CG 3.61Å; F122-Y803 HydrophobicContact CZ-CD2 4.11Å; F122-Y803 HydrophobicContact CZ-CE2 4.37Å; I799-Y803 WeakPolarHBondContact O-CB 3.17Å; I799-Y803 PolarHBondContact O-N 2.84Å; A800-Y803 WeakPolarHBondContact O-CB 3.39Å; A800-Y803 PolarHBondContact O-N 2.94Å; S801-Y803 PolarHBondContact O-N 2.98Å; Y803-S806 PolarHBondContact O-N 3.47Å; Y803-S806 PolarHBondContact O-OG 3.41Å; Y803-K807 HydrophobicContact CD1-CD 4.46Å; Y803-K807 HydrophobicContact CE1-CD 3.88Å; Y803-K807 VanDerWaalsContact CZ-CE 3.42Å; Y803-K807 VanDerWaalsContact CZ-NZ 3.25Å; Y803-K807 PolarHBondContact O-N 3.44Å; Y803-K807 WeakPolarHBondContact OH-CE 3.38Å; Y803-K807 PolarHBondContact OH-NZ 2.93Å |
| 804 | W | 96.4 | Very high | 94.2 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.8 | -36 | 180 | -73.6 | 109.2 | 0 | 0 | 0 | 112.6 | F122 K123 A800 S801 S806 K807 G808 K809 F811 | F122-W804 PolarHBondContact O-NE1 3.18Å; K123-W804 HydrophobicContact CG-CZ2 3.98Å; A800-W804 PolarHBondContact O-N 2.97Å; S801-W804 PolarHBondContact O-N 3.16Å; W804-S806 VanDerWaalsContact C-N 3.29Å; W804-S806 PolarHBondContact O-N 2.84Å; W804-K807 HydrophobicContact CE3-CD 4.32Å; W804-K807 HydrophobicContact CZ3-CD 4.38Å; W804-K807 CarbonylContact O-C 3.36Å; W804-K807 WeakPolarHBondContact O-CA 3.47Å; W804-K807 WeakPolarHBondContact O-CB 3.47Å; W804-K807 PolarHBondContact O-N 3.38Å; W804-G808 PolarHBondContact O-N 2.66Å; W804-G808 VanDerWaalsContact O-N 3.14Å; W804-K809 CarbonylContact C-O 3.53Å; W804-K809 WeakPolarHBondContact CB-O 3.49Å; W804-K809 HydrophobicContact CE3-CB 3.91Å; W804-K809 HydrophobicContact CE3-CD 4.03Å; W804-K809 HydrophobicContact CZ3-CD 3.9Å; W804-K809 PolarHBondContact O-N 3.46Å; W804-F811 HydrophobicContact CB-CB 4.32Å; W804-F811 AromaticContact CD1-CD2 3.58Å; W804-F811 HydrophobicContact CG-CB 4.38Å; W804-F811 AromaticContact NE1-CD2 3.85Å |
| 805 | A | 94.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | V193 S801 V802 K807 G808 K809 | V193-A805 HydrophobicContact CG2-CB 3.7Å; S801-A805 WeakPolarHBondContact O-CB 3.38Å; S801-A805 PolarHBondContact O-N 3.18Å; V802-A805 PolarHBondContact O-N 3.42Å; A805-K807 PolarHBondContact O-N 2.96Å; A805-K807 VanDerWaalsContact O-N 3.17Å; A805-G808 PolarHBondContact O-N 3.16Å; A805-K809 PolarHBondContact N-O 3.15Å |
| 806 | S | 95.4 | Very high | 93.5 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 67% | 0.671 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.2 | -21.7 | 174 | 81.6 | 0 | 0 | 0 | 0 | 113.4 | V802 Y803 W804 | V802-S806 PolarHBondContact O-N 2.91Å; Y803-S806 PolarHBondContact O-N 3.47Å; Y803-S806 PolarHBondContact O-OG 3.41Å; W804-S806 VanDerWaalsContact C-N 3.29Å; W804-S806 PolarHBondContact O-N 2.84Å |
| 807 | K | 94.3 | Very high | 93.3 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 6.3 | 175.5 | -65.6 | -174.3 | 168.6 | -169.8 | 0 | 113.6 | Y803 W804 A805 K809 | Y803-K807 HydrophobicContact CD1-CD 4.46Å; Y803-K807 HydrophobicContact CE1-CD 3.88Å; Y803-K807 VanDerWaalsContact CZ-CE 3.42Å; Y803-K807 VanDerWaalsContact CZ-NZ 3.25Å; Y803-K807 PolarHBondContact O-N 3.44Å; Y803-K807 WeakPolarHBondContact OH-CE 3.38Å; Y803-K807 PolarHBondContact OH-NZ 2.93Å; W804-K807 HydrophobicContact CE3-CD 4.32Å; W804-K807 HydrophobicContact CZ3-CD 4.38Å; W804-K807 CarbonylContact O-C 3.36Å; W804-K807 WeakPolarHBondContact O-CA 3.47Å; W804-K807 WeakPolarHBondContact O-CB 3.47Å; W804-K807 PolarHBondContact O-N 3.38Å; A805-K807 PolarHBondContact O-N 2.96Å; A805-K807 VanDerWaalsContact O-N 3.17Å; K807-K809 VanDerWaalsContact C-N 3.29Å; K807-K809 PolarHBondContact O-N 2.93Å |
| 808 | G | 93.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 76% | 0.763 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 25.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W804 A805 | W804-G808 PolarHBondContact O-N 2.66Å; W804-G808 VanDerWaalsContact O-N 3.14Å; A805-G808 PolarHBondContact O-N 3.16Å |
| 809 | K | 94.1 | Very high | 92.9 | Very high | 138 Ų | 138 | 49.7 Ų | 49.7 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | trans | -123.7 | 155.8 | 178.2 | -66.7 | -178 | 177.7 | -175.3 | 0 | 110.6 | W804 A805 K807 | W804-K809 CarbonylContact C-O 3.53Å; W804-K809 WeakPolarHBondContact CB-O 3.49Å; W804-K809 HydrophobicContact CE3-CB 3.91Å; W804-K809 HydrophobicContact CE3-CD 4.03Å; W804-K809 HydrophobicContact CZ3-CD 3.9Å; W804-K809 PolarHBondContact O-N 3.46Å; A805-K809 PolarHBondContact N-O 3.15Å; K807-K809 VanDerWaalsContact C-N 3.29Å; K807-K809 PolarHBondContact O-N 2.93Å | ||
| 810 | A | 92.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | trans | -80.5 | 148.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q190 V812 | Q190-A810 HydrophobicContact CB-CB 4.35Å; A810-V812 PolarHBondContact O-N 2.99Å | ||
| 811 | F | 95.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 105.7 | 169.7 | 173.1 | -128.3 | 0 | 0 | 0 | 109.1 | I117 F122 A124 Q190 V191 W797 A800 W804 V813 | I117-F811 HydrophobicContact CD1-CZ 4.08Å; F122-F811 WeakPolarHBondContact O-CE2 3.45Å; A124-F811 HydrophobicContact CB-CE2 3.91Å; A124-F811 HydrophobicContact CB-CZ 3.8Å; Q190-F811 CarbonylContact C-O 3.58Å; Q190-F811 VanDerWaalsContact CA-O 3.24Å; Q190-F811 WeakPolarHBondContact CA-O 3.28Å; Q190-F811 WeakPolarHBondContact CB-O 3.49Å; V191-F811 HydrophobicContact CB-CD1 3.99Å; V191-F811 HydrophobicContact CB-CE1 4.48Å; V191-F811 PolarHBondContact N-O 3.33Å; W797-F811 HydrophobicContact CB-CE1 4.05Å; W797-F811 AromaticContact CD1-CE1 3.82Å; W797-F811 AromaticContact CG-CE1 3.89Å; W797-F811 HydrophobicContact CG-CE1 3.89Å; A800-F811 HydrophobicContact CB-CD1 3.97Å; A800-F811 HydrophobicContact CB-CD2 3.71Å; A800-F811 HydrophobicContact CB-CE1 3.84Å; A800-F811 HydrophobicContact CB-CE2 3.53Å; A800-F811 HydrophobicContact CB-CG 3.94Å; A800-F811 HydrophobicContact CB-CZ 3.62Å; W804-F811 HydrophobicContact CB-CB 4.32Å; W804-F811 AromaticContact CD1-CD2 3.58Å; W804-F811 HydrophobicContact CG-CB 4.38Å; W804-F811 AromaticContact NE1-CD2 3.85Å; F811-V813 HydrophobicContact CD1-CG2 3.69Å; F811-V813 HydrophobicContact CE1-CG2 3.27Å; F811-V813 HydrophobicContact CE2-CG2 4.3Å; F811-V813 HydrophobicContact CG-CG2 4.33Å; F811-V813 HydrophobicContact CZ-CG2 3.63Å |
| 812 | V | 93.8 | Very high | 92.6 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123.8 | -176.1 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | A810 | A810-V812 PolarHBondContact O-N 2.99Å |
| 813 | V | 92.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | trans | -127.7 | 94.7 | 177.4 | -174 | 0 | 0 | 0 | 0 | 107.8 | A124 L183 N189 V191 W797 F811 S815 L818 | A124-V813 HydrophobicContact CB-CB 4.43Å; A124-V813 HydrophobicContact CB-CG1 4.34Å; A124-V813 HydrophobicContact CB-CG2 4.08Å; L183-V813 HydrophobicContact CD2-CB 4.15Å; L183-V813 HydrophobicContact CD2-CG1 3.76Å; N189-V813 CarbonylContact C-O 3.51Å; N189-V813 VanDerWaalsContact C-O 3.25Å; N189-V813 WeakPolarHBondContact CA-O 3.24Å; N189-V813 CarbonylContact O-C 3.01Å; N189-V813 PolarHBondContact O-N 2.66Å; V191-V813 HydrophobicContact CB-CG2 4.29Å; V191-V813 HydrophobicContact CG2-CB 4.23Å; V191-V813 HydrophobicContact CG2-CG2 3.75Å; W797-V813 HydrophobicContact CH2-CG1 4.19Å; W797-V813 HydrophobicContact CZ2-CG1 3.95Å; F811-V813 HydrophobicContact CD1-CG2 3.69Å; F811-V813 HydrophobicContact CE1-CG2 3.27Å; F811-V813 HydrophobicContact CE2-CG2 4.3Å; F811-V813 HydrophobicContact CG-CG2 4.33Å; F811-V813 HydrophobicContact CZ-CG2 3.63Å; V813-S815 PolarHBondContact O-N 3.43Å; V813-L818 HydrophobicContact CG1-CD2 4.46Å | ||
| 814 | P | 89.2 | Confident | 92.5 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 53% | 0.532 | 28% | 0.279 | S | S | . | . | trans | -57.6 | 123 | -179.2 | -24.3 | 34.6 | 0 | 0 | 0 | 111.6 | ||||
| 815 | S | 85.3 | Confident | 92.5 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | trans | -80.4 | -17.2 | -173.3 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | N189 V813 G819 | N189-S815 VanDerWaalsContact OD1-CB 3.32Å; N189-S815 WeakPolarHBondContact OD1-CB 3.06Å; N189-S815 PolarHBondContact OD1-N 2.99Å; N189-S815 PolarHBondContact OD1-OG 2.94Å; V813-S815 PolarHBondContact O-N 3.43Å; S815-G819 WeakPolarHBondContact O-CA 3.48Å; S815-G819 PolarHBondContact O-N 2.94Å | ||
| 816 | G | 86.5 | Confident | 92.5 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -45.7 | -76.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F820 H878 | G816-F820 WeakPolarHBondContact O-CB 3.23Å; G816-F820 PolarHBondContact O-N 2.92Å; G816-H878 PolarHBondContact O-CE1 3.24Å |
| 817 | D | 89.1 | Confident | 92.5 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -43.2 | -178.3 | -78.9 | -31.1 | 0 | 0 | 0 | 112.8 | S821 H878 T879 | D817-S821 WeakPolarHBondContact O-CB 3.39Å; D817-S821 PolarHBondContact O-N 3.33Å; D817-H878 IonicContact OD1-CE1 3.89Å; D817-H878 IonicContact OD1-ND1 2.7Å; D817-H878 PolarHBondContact OD1-ND1 3.5Å; D817-T879 WeakPolarHBondContact OD1-CA 3.13Å; D817-T879 WeakPolarHBondContact OD1-CB 3.45Å; D817-T879 PolarHBondContact OD1-OG1 3.41Å |
| 818 | L | 89.9 | Confident | 92.6 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -49.9 | -176.5 | -179.3 | 61 | 0 | 0 | 0 | 111.7 | P129 V133 L183 W797 V813 S821 V822 | P129-L818 HydrophobicContact CB-CD1 3.77Å; P129-L818 HydrophobicContact CB-CD2 3.74Å; P129-L818 HydrophobicContact CB-CG 4.42Å; V133-L818 HydrophobicContact CG2-CD1 3.85Å; L183-L818 HydrophobicContact CD1-CD2 3.87Å; L183-L818 HydrophobicContact CD1-CG 4.06Å; W797-L818 HydrophobicContact CH2-CD2 3.92Å; W797-L818 HydrophobicContact CZ2-CD2 3.91Å; V813-L818 HydrophobicContact CG1-CD2 4.46Å; L818-S821 PolarHBondContact O-N 3.48Å; L818-V822 HydrophobicContact CD1-CG2 4.16Å; L818-V822 HydrophobicContact CG-CG2 4.42Å; L818-V822 WeakPolarHBondContact O-CB 3.17Å; L818-V822 WeakPolarHBondContact O-CG2 3.42Å; L818-V822 PolarHBondContact O-N 3.32Å |
| 819 | G | 91.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S815 T823 | S815-G819 WeakPolarHBondContact O-CA 3.48Å; S815-G819 PolarHBondContact O-N 2.94Å; G819-T823 VanDerWaalsContact O-CB 3.32Å; G819-T823 WeakPolarHBondContact O-CB 3.35Å; G819-T823 PolarHBondContact O-N 3.43Å; G819-T823 PolarHBondContact O-OG1 2.91Å |
| 820 | F | 93 | Very high | 92.8 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 13% | 0.132 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 171.3 | -177.8 | -90.8 | 0 | 0 | 0 | 111.2 | G816 V822 T823 L824 V874 H878 I883 | G816-F820 WeakPolarHBondContact O-CB 3.23Å; G816-F820 PolarHBondContact O-N 2.92Å; F820-V822 PolarHBondContact O-N 3.5Å; F820-T823 PolarHBondContact O-N 3.15Å; F820-L824 HydrophobicContact CE1-CD2 4.33Å; F820-L824 PolarHBondContact O-N 2.88Å; F820-V874 HydrophobicContact CE1-CG1 3.95Å; F820-V874 HydrophobicContact CZ-CG1 3.81Å; F820-H878 HydrophobicContact CD1-CB 3.56Å; F820-H878 AromaticContact CD1-CD2 4Å; F820-H878 AromaticContact CD1-CG 3.57Å; F820-H878 HydrophobicContact CD2-CB 4.44Å; F820-H878 AromaticContact CD2-CD2 3.45Å; F820-H878 VanDerWaalsContact CD2-CD2 3.45Å; F820-H878 WeakPolarHBondContact CD2-CD2 3.49Å; F820-H878 AromaticContact CD2-CG 3.91Å; F820-H878 AromaticContact CD2-NE2 3.89Å; F820-H878 HydrophobicContact CE1-CB 3.53Å; F820-H878 AromaticContact CE1-CG 3.98Å; F820-H878 HydrophobicContact CE2-CB 4.4Å; F820-H878 AromaticContact CE2-CD2 3.84Å; F820-H878 HydrophobicContact CG-CB 4.04Å; F820-H878 AromaticContact CG-CD2 3.53Å; F820-H878 AromaticContact CG-CG 3.54Å; F820-H878 AromaticContact CG-ND1 3.89Å; F820-H878 AromaticContact CG-NE2 3.88Å; F820-H878 HydrophobicContact CZ-CB 3.97Å; F820-I883 HydrophobicContact CZ-CG2 4.49Å |
| 821 | S | 93.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | -178.9 | -155.2 | 0 | 0 | 0 | 0 | 112.2 | D817 L818 T823 L824 F825 Y871 S875 | D817-S821 WeakPolarHBondContact O-CB 3.39Å; D817-S821 PolarHBondContact O-N 3.33Å; L818-S821 PolarHBondContact O-N 3.48Å; S821-T823 VanDerWaalsContact C-N 3.34Å; S821-T823 PolarHBondContact O-N 2.92Å; S821-L824 PolarHBondContact O-N 3.47Å; S821-F825 WeakPolarHBondContact O-CB 3.03Å; S821-F825 PolarHBondContact O-N 3Å; S821-Y871 WeakPolarHBondContact O-CE2 3.28Å; S821-Y871 WeakPolarHBondContact OG-CE2 3.39Å; S821-Y871 VanDerWaalsContact OG-CZ 3.25Å; S821-Y871 PolarHBondContact OG-OH 3.07Å; S821-S875 PolarHBondContact OG-OG 3.17Å |
| 822 | V | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | V133 Y176 L179 I180 L818 F820 F825 T826 | V133-V822 HydrophobicContact CB-CG2 4.43Å; V133-V822 HydrophobicContact CG1-CG2 3.92Å; V133-V822 HydrophobicContact CG2-CG2 3.58Å; Y176-V822 HydrophobicContact CD1-CG1 4.24Å; Y176-V822 WeakPolarHBondContact O-CG1 3.49Å; L179-V822 HydrophobicContact CB-CG1 4.11Å; L179-V822 HydrophobicContact CD1-CG2 4.4Å; I180-V822 HydrophobicContact CD1-CG1 4.08Å; I180-V822 HydrophobicContact CG1-CB 4.41Å; I180-V822 HydrophobicContact CG1-CG1 3.63Å; L818-V822 HydrophobicContact CD1-CG2 4.16Å; L818-V822 HydrophobicContact CG-CG2 4.42Å; L818-V822 WeakPolarHBondContact O-CB 3.17Å; L818-V822 WeakPolarHBondContact O-CG2 3.42Å; L818-V822 PolarHBondContact O-N 3.32Å; F820-V822 PolarHBondContact O-N 3.5Å; V822-F825 PolarHBondContact O-N 3.34Å; V822-T826 WeakPolarHBondContact O-CB 3.43Å; V822-T826 PolarHBondContact O-N 3.43Å; V822-T826 PolarHBondContact O-OG1 3.39Å |
| 823 | T | 94.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -48.8 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | G819 F820 S821 F825 T826 I827 F886 | G819-T823 VanDerWaalsContact O-CB 3.32Å; G819-T823 WeakPolarHBondContact O-CB 3.35Å; G819-T823 PolarHBondContact O-N 3.43Å; G819-T823 PolarHBondContact O-OG1 2.91Å; F820-T823 PolarHBondContact O-N 3.15Å; S821-T823 VanDerWaalsContact C-N 3.34Å; S821-T823 PolarHBondContact O-N 2.92Å; T823-F825 PolarHBondContact O-N 2.97Å; T823-T826 PolarHBondContact O-N 3.04Å; T823-I827 HydrophobicContact CG2-CD1 4.16Å; T823-I827 WeakPolarHBondContact O-CG1 3.38Å; T823-I827 PolarHBondContact O-N 3.15Å; T823-F886 HydrophobicContact CG2-CE2 4.49Å |
| 824 | L | 95.2 | Very high | 93 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 177.8 | -180 | 61.2 | 0 | 0 | 0 | 111.6 | F820 S821 T826 I827 L828 Y871 V874 | F820-L824 HydrophobicContact CE1-CD2 4.33Å; F820-L824 PolarHBondContact O-N 2.88Å; S821-L824 PolarHBondContact O-N 3.47Å; L824-T826 VanDerWaalsContact C-N 3.32Å; L824-T826 PolarHBondContact O-N 3.34Å; L824-I827 PolarHBondContact O-N 3.32Å; L824-L828 HydrophobicContact CD1-CD1 4.09Å; L824-L828 HydrophobicContact CD1-CG 4.32Å; L824-L828 HydrophobicContact CG-CD1 4.1Å; L824-L828 WeakPolarHBondContact O-CG 3.33Å; L824-L828 PolarHBondContact O-N 2.9Å; L824-Y871 HydrophobicContact CD2-CD2 4.14Å; L824-Y871 HydrophobicContact CG-CD2 4.24Å; L824-V874 HydrophobicContact CD2-CB 3.74Å; L824-V874 HydrophobicContact CD2-CG1 3.8Å |
| 825 | F | 95.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 175 | 169.3 | -105.6 | 0 | 0 | 0 | 111.3 | V133 A136 A137 L140 F141 Y176 S821 V822 T823 I827 L828 S829 Y871 | V133-F825 HydrophobicContact CG1-CB 4.41Å; A136-F825 HydrophobicContact CB-CE1 4.29Å; A136-F825 HydrophobicContact CB-CE2 4.38Å; A136-F825 HydrophobicContact CB-CZ 3.98Å; A137-F825 VanDerWaalsContact CA-CE2 3.49Å; A137-F825 HydrophobicContact CB-CD2 3.72Å; A137-F825 HydrophobicContact CB-CE2 4.14Å; L140-F825 HydrophobicContact CB-CE2 4.26Å; L140-F825 HydrophobicContact CD2-CE2 4.12Å; L140-F825 HydrophobicContact CD2-CZ 4.07Å; F141-F825 AromaticContact CE2-CD2 3.86Å; F141-F825 HydrophobicContact CE2-CD2 3.86Å; F141-F825 HydrophobicContact CE2-CE2 4.16Å; F141-F825 AromaticContact CZ-CD2 3.82Å; F141-F825 HydrophobicContact CZ-CD2 3.82Å; F141-F825 AromaticContact CZ-CE2 3.9Å; F141-F825 HydrophobicContact CZ-CE2 3.9Å; Y176-F825 AromaticContact CD1-CD1 3.62Å; Y176-F825 HydrophobicContact CD1-CD1 3.62Å; Y176-F825 AromaticContact CD1-CE1 3.7Å; Y176-F825 HydrophobicContact CD1-CE1 3.7Å; Y176-F825 HydrophobicContact CD2-CD1 4.14Å; Y176-F825 AromaticContact CD2-CE1 3.45Å; Y176-F825 HydrophobicContact CD2-CE1 3.45Å; Y176-F825 VanDerWaalsContact CD2-CE1 3.45Å; Y176-F825 HydrophobicContact CD2-CZ 4.46Å; Y176-F825 AromaticContact CE1-CD1 4Å; Y176-F825 HydrophobicContact CE1-CD1 4Å; Y176-F825 AromaticContact CE1-CE1 3.82Å; Y176-F825 HydrophobicContact CE1-CE1 3.82Å; Y176-F825 HydrophobicContact CE2-CD1 4.49Å; Y176-F825 AromaticContact CE2-CE1 3.6Å; Y176-F825 HydrophobicContact CE2-CE1 3.6Å; Y176-F825 HydrophobicContact CE2-CZ 4.29Å; Y176-F825 AromaticContact CG-CD1 3.71Å; Y176-F825 HydrophobicContact CG-CD1 3.71Å; Y176-F825 AromaticContact CG-CE1 3.53Å; Y176-F825 HydrophobicContact CG-CE1 3.53Å; Y176-F825 AromaticContact CZ-CE1 3.8Å; S821-F825 WeakPolarHBondContact O-CB 3.03Å; S821-F825 PolarHBondContact O-N 3Å; V822-F825 PolarHBondContact O-N 3.34Å; T823-F825 PolarHBondContact O-N 2.97Å; F825-I827 VanDerWaalsContact C-N 3.34Å; F825-I827 PolarHBondContact O-N 3.38Å; F825-L828 PolarHBondContact O-N 2.74Å; F825-S829 VanDerWaalsContact O-CB 3.22Å; F825-S829 WeakPolarHBondContact O-CB 3.35Å; F825-S829 PolarHBondContact O-N 3.13Å; F825-S829 PolarHBondContact O-OG 3.22Å; F825-Y871 HydrophobicContact CB-CD2 4.18Å; F825-Y871 HydrophobicContact CB-CE2 3.85Å |
| 826 | T | 95.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | -179.5 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L173 Y176 I177 I180 V822 T823 L824 S829 L830 | L173-T826 HydrophobicContact CD1-CG2 3.92Å; Y176-T826 WeakPolarHBondContact CB-OG1 3.45Å; I177-T826 HydrophobicContact CD1-CG2 4.48Å; I177-T826 HydrophobicContact CG1-CG2 3.77Å; I180-T826 HydrophobicContact CD1-CG2 4.44Å; V822-T826 WeakPolarHBondContact O-CB 3.43Å; V822-T826 PolarHBondContact O-N 3.43Å; V822-T826 PolarHBondContact O-OG1 3.39Å; T823-T826 PolarHBondContact O-N 3.04Å; L824-T826 VanDerWaalsContact C-N 3.32Å; L824-T826 PolarHBondContact O-N 3.34Å; T826-S829 WeakPolarHBondContact CA-OG 3.03Å; T826-S829 PolarHBondContact O-N 2.95Å; T826-S829 PolarHBondContact O-OG 3.07Å; T826-L830 PolarHBondContact O-N 3.4Å |
| 827 | I | 95.9 | Very high | 93.8 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 43% | 0.426 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.1 | -50.7 | 176.2 | -66.5 | 166.7 | 0 | 0 | 0 | 111.2 | T823 L824 F825 S829 L830 F831 | T823-I827 HydrophobicContact CG2-CD1 4.16Å; T823-I827 WeakPolarHBondContact O-CG1 3.38Å; T823-I827 PolarHBondContact O-N 3.15Å; L824-I827 PolarHBondContact O-N 3.32Å; F825-I827 VanDerWaalsContact C-N 3.34Å; F825-I827 PolarHBondContact O-N 3.38Å; I827-S829 VanDerWaalsContact C-N 3.27Å; I827-S829 PolarHBondContact O-N 2.82Å; I827-L830 WeakPolarHBondContact O-CB 3.45Å; I827-L830 PolarHBondContact O-N 3.41Å; I827-F831 HydrophobicContact CG2-CD2 4.08Å; I827-F831 HydrophobicContact CG2-CE2 3.66Å; I827-F831 WeakPolarHBondContact O-CD2 3.19Å; I827-F831 PolarHBondContact O-N 3.4Å |
| 828 | L | 96.9 | Very high | 94 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -31.1 | 179.8 | -67.4 | 175.1 | 0 | 0 | 0 | 112.4 | F141 L824 F825 F831 C832 F867 I870 | F141-L828 HydrophobicContact CE1-CB 4.18Å; F141-L828 HydrophobicContact CE2-CB 3.99Å; F141-L828 HydrophobicContact CE2-CD1 4.45Å; F141-L828 HydrophobicContact CZ-CB 3.44Å; F141-L828 VanDerWaalsContact CZ-CB 3.44Å; L824-L828 HydrophobicContact CD1-CD1 4.09Å; L824-L828 HydrophobicContact CD1-CG 4.32Å; L824-L828 HydrophobicContact CG-CD1 4.1Å; L824-L828 WeakPolarHBondContact O-CG 3.33Å; L824-L828 PolarHBondContact O-N 2.9Å; F825-L828 PolarHBondContact O-N 2.74Å; L828-F831 PolarHBondContact O-N 2.95Å; L828-C832 PolarHBondContact O-N 3.47Å; L828-F867 HydrophobicContact CD2-CD1 4.15Å; L828-F867 HydrophobicContact CD2-CG 4.25Å; L828-I870 HydrophobicContact CD1-CG2 4.42Å |
| 829 | S | 95 | Very high | 94.2 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 176.1 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | L173 F825 T826 I827 C832 L833 | L173-S829 WeakPolarHBondContact CD1-OG 3.36Å; F825-S829 VanDerWaalsContact O-CB 3.22Å; F825-S829 WeakPolarHBondContact O-CB 3.35Å; F825-S829 PolarHBondContact O-N 3.13Å; F825-S829 PolarHBondContact O-OG 3.22Å; T826-S829 WeakPolarHBondContact CA-OG 3.03Å; T826-S829 PolarHBondContact O-N 2.95Å; T826-S829 PolarHBondContact O-OG 3.07Å; I827-S829 VanDerWaalsContact C-N 3.27Å; I827-S829 PolarHBondContact O-N 2.82Å; S829-C832 WeakPolarHBondContact O-CB 3.33Å; S829-C832 PolarHBondContact O-N 3.24Å; S829-L833 WeakPolarHBondContact O-CG 3.32Å; S829-L833 PolarHBondContact O-N 3.33Å |
| 830 | L | 95.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 38.2 Ų | 38.2 | 45% | 0.445 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 173 | -74.4 | 169.7 | 0 | 0 | 0 | 111 | L173 T826 I827 C832 L833 V834 | L173-L830 HydrophobicContact CD1-CD2 4.17Å; L173-L830 HydrophobicContact CD1-CG 4.14Å; L173-L830 HydrophobicContact CD2-CD2 3.49Å; L173-L830 VanDerWaalsContact CD2-CD2 3.49Å; L173-L830 HydrophobicContact CD2-CG 4.32Å; L173-L830 HydrophobicContact CG-CD2 4.5Å; T826-L830 PolarHBondContact O-N 3.4Å; I827-L830 WeakPolarHBondContact O-CB 3.45Å; I827-L830 PolarHBondContact O-N 3.41Å; L830-C832 VanDerWaalsContact C-N 3.34Å; L830-C832 PolarHBondContact O-N 2.98Å; L830-L833 PolarHBondContact O-N 3.4Å; L830-V834 WeakPolarHBondContact O-CG2 3.45Å; L830-V834 PolarHBondContact O-N 2.84Å |
| 831 | F | 96 | Very high | 94.1 | Very high | 117 Ų | 117 | 39.4 Ų | 39.4 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 175.4 | -70.9 | -65.1 | 0 | 0 | 0 | 112.2 | I827 L828 V834 V835 F867 | I827-F831 HydrophobicContact CG2-CD2 4.08Å; I827-F831 HydrophobicContact CG2-CE2 3.66Å; I827-F831 WeakPolarHBondContact O-CD2 3.19Å; I827-F831 PolarHBondContact O-N 3.4Å; L828-F831 PolarHBondContact O-N 2.95Å; F831-V834 PolarHBondContact O-N 2.99Å; F831-V835 WeakPolarHBondContact O-CG2 3.34Å; F831-V835 PolarHBondContact O-N 2.79Å; F831-F867 HydrophobicContact CB-CE2 3.69Å; F831-F867 HydrophobicContact CB-CZ 3.83Å |
| 832 | C | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | L140 F141 L828 S829 L830 V834 V835 I836 L864 | L140-C832 HydrophobicContact CD2-CB 4.42Å; L140-C832 HydrophobicContact CG-CB 4.38Å; F141-C832 HydrophobicContact CD1-CB 3.94Å; F141-C832 HydrophobicContact CE1-CB 3.73Å; L828-C832 PolarHBondContact O-N 3.47Å; S829-C832 WeakPolarHBondContact O-CB 3.33Å; S829-C832 PolarHBondContact O-N 3.24Å; L830-C832 VanDerWaalsContact C-N 3.34Å; L830-C832 PolarHBondContact O-N 2.98Å; C832-V834 VanDerWaalsContact C-N 3.31Å; C832-V834 PolarHBondContact O-N 3.31Å; C832-V835 WeakPolarHBondContact O-CB 3.43Å; C832-V835 PolarHBondContact O-N 3.42Å; C832-V835 VanDerWaalsContact O-N 3.12Å; C832-I836 WeakPolarHBondContact O-CG1 3.23Å; C832-I836 PolarHBondContact O-N 2.99Å; C832-L864 HydrophobicContact CB-CD2 3.96Å; C832-L864 VanDerWaalsContact SG-CD2 3.51Å |
| 833 | L | 92.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 22% | 0.22 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 176.6 | -69.9 | 175.5 | 0 | 0 | 0 | 112.1 | F165 S829 L830 I836 F837 | F165-L833 HydrophobicContact CZ-CD2 4.46Å; S829-L833 WeakPolarHBondContact O-CG 3.32Å; S829-L833 PolarHBondContact O-N 3.33Å; L830-L833 PolarHBondContact O-N 3.4Å; L833-I836 PolarHBondContact O-N 3.17Å; L833-F837 WeakPolarHBondContact O-CB 3.41Å; L833-F837 PolarHBondContact O-N 3.34Å |
| 834 | V | 94.2 | Very high | 93.3 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 47% | 0.473 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 172.1 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L830 F831 C832 I836 F837 L838 | L830-V834 WeakPolarHBondContact O-CG2 3.45Å; L830-V834 PolarHBondContact O-N 2.84Å; F831-V834 PolarHBondContact O-N 2.99Å; C832-V834 VanDerWaalsContact C-N 3.31Å; C832-V834 PolarHBondContact O-N 3.31Å; V834-I836 PolarHBondContact O-N 3.2Å; V834-F837 PolarHBondContact O-N 2.7Å; V834-L838 HydrophobicContact CG1-CD1 3.82Å; V834-L838 HydrophobicContact CG1-CG 4.09Å; V834-L838 WeakPolarHBondContact O-CB 3.43Å; V834-L838 VanDerWaalsContact O-CG 3.25Å; V834-L838 WeakPolarHBondContact O-CG 3.44Å; V834-L838 PolarHBondContact O-N 2.99Å |
| 835 | V | 94.4 | Very high | 92.7 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 176 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | F831 C832 F837 L838 R839 L863 L864 | F831-V835 WeakPolarHBondContact O-CG2 3.34Å; F831-V835 PolarHBondContact O-N 2.79Å; C832-V835 WeakPolarHBondContact O-CB 3.43Å; C832-V835 PolarHBondContact O-N 3.42Å; C832-V835 VanDerWaalsContact O-N 3.12Å; V835-F837 VanDerWaalsContact C-N 3.32Å; V835-F837 PolarHBondContact O-N 3.21Å; V835-L838 PolarHBondContact O-N 2.88Å; V835-R839 HydrophobicContact CG1-CG 4.44Å; V835-R839 WeakPolarHBondContact O-CB 3.44Å; V835-R839 WeakPolarHBondContact O-CG 3.3Å; V835-R839 PolarHBondContact O-N 3.45Å; V835-L863 HydrophobicContact CG2-CD2 3.83Å; V835-L864 HydrophobicContact CB-CD2 4.49Å; V835-L864 HydrophobicContact CG1-CD2 4.43Å |
| 836 | I | 92.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.8 | -65.7 | 170.2 | 0 | 0 | 0 | 110.7 | T144 F165 C832 L833 V834 R839 R840 E849 | T144-I836 HydrophobicContact CG2-CD1 4.17Å; T144-I836 HydrophobicContact CG2-CG1 4.44Å; F165-I836 HydrophobicContact CZ-CG2 4.1Å; C832-I836 WeakPolarHBondContact O-CG1 3.23Å; C832-I836 PolarHBondContact O-N 2.99Å; L833-I836 PolarHBondContact O-N 3.17Å; V834-I836 PolarHBondContact O-N 3.2Å; I836-R839 PolarHBondContact O-N 2.77Å; I836-R840 PolarHBondContact O-N 3.47Å; I836-R840 VanDerWaalsContact O-N 3.08Å; I836-E849 HydrophobicContact CG2-CB 4.37Å; I836-E849 HydrophobicContact CG2-CG 3.83Å |
| 837 | F | 92.1 | Very high | 91.8 | Very high | 120 Ų | 120 | 54 Ų | 54 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 178.2 | -177 | -97.1 | 0 | 0 | 0 | 112.8 | L833 V834 V835 R839 R840 S841 | L833-F837 WeakPolarHBondContact O-CB 3.41Å; L833-F837 PolarHBondContact O-N 3.34Å; V834-F837 PolarHBondContact O-N 2.7Å; V835-F837 VanDerWaalsContact C-N 3.32Å; V835-F837 PolarHBondContact O-N 3.21Å; F837-R839 VanDerWaalsContact C-N 3.32Å; F837-R839 PolarHBondContact O-N 3.16Å; F837-R840 WeakPolarHBondContact O-CB 3.32Å; F837-R840 PolarHBondContact O-N 2.98Å; F837-S841 PolarHBondContact O-N 2.86Å; F837-S841 PolarHBondContact O-OG 2.92Å; F837-S841 VanDerWaalsContact O-OG 3.08Å |
| 838 | L | 93.4 | Very high | 91.5 | Very high | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.356 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 175 | -71.9 | 176 | 0 | 0 | 0 | 111.2 | V834 V835 R840 S841 L842 | V834-L838 HydrophobicContact CG1-CD1 3.82Å; V834-L838 HydrophobicContact CG1-CG 4.09Å; V834-L838 WeakPolarHBondContact O-CB 3.43Å; V834-L838 VanDerWaalsContact O-CG 3.25Å; V834-L838 WeakPolarHBondContact O-CG 3.44Å; V834-L838 PolarHBondContact O-N 2.99Å; V835-L838 PolarHBondContact O-N 2.88Å; L838-R840 VanDerWaalsContact C-N 3.28Å; L838-R840 PolarHBondContact O-N 3.4Å; L838-S841 PolarHBondContact O-N 3.32Å; L838-S841 PolarHBondContact O-OG 3.34Å; L838-L842 HydrophobicContact CB-CD1 4.21Å; L838-L842 HydrophobicContact CD2-CD1 3.93Å; L838-L842 HydrophobicContact CD2-CG 4.48Å; L838-L842 WeakPolarHBondContact O-CB 3.31Å; L838-L842 PolarHBondContact O-N 3.46Å |
| 839 | R | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.6 | -74.7 | 178.3 | 65.9 | 71.9 | 13.8 | 112.6 | V835 I836 F837 F845 Q847 A848 E849 G851 T856 S860 | V835-R839 HydrophobicContact CG1-CG 4.44Å; V835-R839 WeakPolarHBondContact O-CB 3.44Å; V835-R839 WeakPolarHBondContact O-CG 3.3Å; V835-R839 PolarHBondContact O-N 3.45Å; I836-R839 PolarHBondContact O-N 2.77Å; F837-R839 VanDerWaalsContact C-N 3.32Å; F837-R839 PolarHBondContact O-N 3.16Å; R839-F845 HydrophobicContact CB-CB 4.15Å; R839-F845 HydrophobicContact CB-CG 4.31Å; R839-F845 HydrophobicContact CG-CB 4.11Å; R839-F845 HydrophobicContact CG-CD1 3.61Å; R839-F845 HydrophobicContact CG-CE1 4.15Å; R839-F845 HydrophobicContact CG-CG 3.83Å; R839-Q847 CarbonylContact O-C 3.54Å; R839-Q847 WeakPolarHBondContact O-CA 3.48Å; R839-A848 PolarHBondContact O-N 3.3Å; R839-E849 PolarHBondContact NE-O 3.29Å; R839-E849 PolarHBondContact NH2-O 3.46Å; R839-G851 PolarHBondContact NH2-O 3.1Å; R839-T856 PolarHBondContact NH1-O 3.49Å; R839-S860 WeakPolarHBondContact CD-OG 3.3Å; R839-S860 VanDerWaalsContact NH1-CB 3.3Å; R839-S860 PolarHBondContact NH1-OG 3.46Å |
| 840 | R | 92.5 | Very high | 91.1 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 175.5 | -176 | -176.9 | 175.7 | 84.1 | -2.5 | 112.6 | R158 I159 F162 I836 F837 L838 E849 | R158-R840 PolarHBondContact NH2-O 3.5Å; I159-R840 PolarHBondContact O-NH1 2.61Å; I159-R840 VanDerWaalsContact O-NH1 3.13Å; F162-R840 VanDerWaalsContact CE2-CD 3.45Å; I836-R840 PolarHBondContact O-N 3.47Å; I836-R840 VanDerWaalsContact O-N 3.08Å; F837-R840 WeakPolarHBondContact O-CB 3.32Å; F837-R840 PolarHBondContact O-N 2.98Å; L838-R840 VanDerWaalsContact C-N 3.28Å; L838-R840 PolarHBondContact O-N 3.4Å; R840-E849 HydrophobicContact CB-CG 4.25Å; R840-E849 VanDerWaalsContact CD-OE1 3.24Å; R840-E849 WeakPolarHBondContact CD-OE1 3.36Å; R840-E849 WeakPolarHBondContact CG-OE1 3.21Å; R840-E849 IonicContact CZ-OE1 3.2Å; R840-E849 IonicContact NE-OE1 3.07Å; R840-E849 IonicContact NH1-OE1 3.19Å; R840-E849 PolarHBondContact NH1-OE1 2.98Å; R840-E849 IonicContact NH1-OE2 3.25Å |
| 841 | S | 90.2 | Very high | 91 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -87 | -41.3 | -169.9 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | F837 L838 | F837-S841 PolarHBondContact O-N 2.86Å; F837-S841 PolarHBondContact O-OG 2.92Å; F837-S841 VanDerWaalsContact O-OG 3.08Å; L838-S841 PolarHBondContact O-N 3.32Å; L838-S841 PolarHBondContact O-OG 3.34Å |
| 842 | L | 91.7 | Very high | 90.6 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 40% | 0.403 | 23% | 0.231 | S | C | . | . | trans | -85.2 | 136.2 | -172.1 | -66 | 174.5 | 0 | 0 | 0 | 112.4 | L838 S844 F845 Q847 | L838-L842 HydrophobicContact CB-CD1 4.21Å; L838-L842 HydrophobicContact CD2-CD1 3.93Å; L838-L842 HydrophobicContact CD2-CG 4.48Å; L838-L842 WeakPolarHBondContact O-CB 3.31Å; L838-L842 PolarHBondContact O-N 3.46Å; L842-S844 VanDerWaalsContact C-N 3.3Å; L842-S844 PolarHBondContact O-N 3.15Å; L842-F845 HydrophobicContact CB-CD2 3.88Å; L842-F845 HydrophobicContact CB-CE2 4.46Å; L842-F845 HydrophobicContact CD1-CD2 4.15Å; L842-F845 HydrophobicContact CD1-CE2 3.9Å; L842-F845 PolarHBondContact O-N 2.95Å; L842-Q847 PolarHBondContact O-N 2.95Å | ||
| 843 | A | 86.1 | Confident | 90.3 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 62% | 0.62 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -63.5 | -33.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F845 G846 | A843-F845 PolarHBondContact O-N 2.93Å; A843-F845 VanDerWaalsContact O-N 3.15Å; A843-G846 WeakPolarHBondContact O-CA 3.44Å; A843-G846 PolarHBondContact O-N 3.08Å |
| 844 | S | 85.6 | Confident | 90.1 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -59 | -27.2 | 179.7 | -47.3 | 0 | 0 | 0 | 0 | 113.4 | L842 G846 T856 | L842-S844 VanDerWaalsContact C-N 3.3Å; L842-S844 PolarHBondContact O-N 3.15Å; S844-G846 VanDerWaalsContact C-N 3.3Å; S844-T856 VanDerWaalsContact O-CG2 3.29Å; S844-T856 WeakPolarHBondContact O-CG2 3.44Å; S844-T856 PolarHBondContact O-OG1 3.44Å |
| 845 | F | 84 | Confident | 89.9 | Confident | 44 Ų | 44 | 49.4 Ų | 49.4 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -89.2 | 7.5 | 176.4 | -68 | -81.2 | 0 | 0 | 0 | 113.3 | R839 L842 A843 Q847 P853 T856 S860 | R839-F845 HydrophobicContact CB-CB 4.15Å; R839-F845 HydrophobicContact CB-CG 4.31Å; R839-F845 HydrophobicContact CG-CB 4.11Å; R839-F845 HydrophobicContact CG-CD1 3.61Å; R839-F845 HydrophobicContact CG-CE1 4.15Å; R839-F845 HydrophobicContact CG-CG 3.83Å; L842-F845 HydrophobicContact CB-CD2 3.88Å; L842-F845 HydrophobicContact CB-CE2 4.46Å; L842-F845 HydrophobicContact CD1-CD2 4.15Å; L842-F845 HydrophobicContact CD1-CE2 3.9Å; L842-F845 PolarHBondContact O-N 2.95Å; A843-F845 PolarHBondContact O-N 2.93Å; A843-F845 VanDerWaalsContact O-N 3.15Å; F845-Q847 PolarHBondContact O-N 3.02Å; F845-P853 VanDerWaalsContact C-CD 3.49Å; F845-T856 HydrophobicContact CD1-CG2 4.17Å; F845-T856 HydrophobicContact CE1-CG2 4.28Å; F845-S860 WeakPolarHBondContact CE1-OG 3.31Å |
| 846 | G | 81.6 | Confident | 89.8 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 19% | 0.186 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 9.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A843 S844 A848 | A843-G846 WeakPolarHBondContact O-CA 3.44Å; A843-G846 PolarHBondContact O-N 3.08Å; S844-G846 VanDerWaalsContact C-N 3.3Å; G846-A848 VanDerWaalsContact C-N 3.33Å; G846-A848 PolarHBondContact O-N 3.26Å |
| 847 | Q | 88.6 | Confident | 89.7 | Confident | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 59.3 | 45.6 | 176.7 | -109.8 | 179.6 | 8 | 0 | 0 | 110.1 | R158 R839 L842 F845 | R158-Q847 PolarHBondContact NE-O 3.16Å; R158-Q847 PolarHBondContact NH2-O 3.14Å; R839-Q847 CarbonylContact O-C 3.54Å; R839-Q847 WeakPolarHBondContact O-CA 3.48Å; L842-Q847 PolarHBondContact O-N 2.95Å; F845-Q847 PolarHBondContact O-N 3.02Å |
| 848 | A | 89.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -153.9 | 141.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | K156 R158 R839 G846 | K156-A848 HydrophobicContact CB-CB 3.69Å; K156-A848 HydrophobicContact CG-CB 4.47Å; R158-A848 HydrophobicContact CG-CB 4.27Å; R839-A848 PolarHBondContact O-N 3.3Å; G846-A848 VanDerWaalsContact C-N 3.33Å; G846-A848 PolarHBondContact O-N 3.26Å | ||
| 849 | E | 91.5 | Very high | 89.8 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.023 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -64.3 | -45.4 | 178.9 | -64.8 | 87.3 | 156.7 | 0 | 0 | 110.5 | R158 I159 I836 R839 R840 | R158-E849 WeakPolarHBondContact CA-OE2 3.22Å; I159-E849 HydrophobicContact CD1-CG 4.22Å; I159-E849 HydrophobicContact CG1-CG 4.26Å; I159-E849 PolarHBondContact N-OE2 2.91Å; I836-E849 HydrophobicContact CG2-CB 4.37Å; I836-E849 HydrophobicContact CG2-CG 3.83Å; R839-E849 PolarHBondContact NE-O 3.29Å; R839-E849 PolarHBondContact NH2-O 3.46Å; R840-E849 HydrophobicContact CB-CG 4.25Å; R840-E849 VanDerWaalsContact CD-OE1 3.24Å; R840-E849 WeakPolarHBondContact CD-OE1 3.36Å; R840-E849 WeakPolarHBondContact CG-OE1 3.21Å; R840-E849 IonicContact CZ-OE1 3.2Å; R840-E849 IonicContact NE-OE1 3.07Å; R840-E849 IonicContact NH1-OE1 3.19Å; R840-E849 PolarHBondContact NH1-OE1 2.98Å; R840-E849 IonicContact NH1-OE2 3.25Å |
| 850 | L | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.5 | 179.4 | -52.2 | -179.1 | 0 | 0 | 0 | 112.2 | C147 I148 V151 K157 A768 A774 A777 I778 | C147-L850 HydrophobicContact CB-CD1 4.25Å; C147-L850 HydrophobicContact CB-CD2 3.77Å; I148-L850 HydrophobicContact CG1-CD2 3.8Å; V151-L850 HydrophobicContact CG2-CB 3.77Å; K157-L850 HydrophobicContact CB-CB 4.28Å; K157-L850 PolarHBondContact N-O 3.48Å; K157-L850 PolarHBondContact O-N 3.28Å; A768-L850 HydrophobicContact CB-CD1 4.02Å; A774-L850 HydrophobicContact CB-CD1 3.59Å; A774-L850 HydrophobicContact CB-CG 3.84Å; A777-L850 HydrophobicContact CB-CD1 4Å; I778-L850 HydrophobicContact CD1-CD2 3.98Å; I778-L850 HydrophobicContact CG1-CD2 4.29Å |
| 851 | G | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | -138 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R839 | R839-G851 PolarHBondContact NH2-O 3.1Å |
| 852 | G | 88.1 | Confident | 90.3 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | trans | 90.4 | -167.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T155 | T155-G852 PolarHBondContact O-N 3.44Å; T155-G852 VanDerWaalsContact O-N 3.17Å | ||
| 853 | P | 89.2 | Confident | 90.6 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -56.5 | 142.2 | -178.6 | -24.1 | 33.8 | 0 | 0 | 0 | 112 | F845 L855 T856 K857 | F845-P853 VanDerWaalsContact C-CD 3.49Å; P853-L855 VanDerWaalsContact C-N 3.32Å; P853-L855 PolarHBondContact O-N 2.68Å; P853-T856 PolarHBondContact O-N 3.42Å; P853-T856 PolarHBondContact O-OG1 2.96Å; P853-K857 WeakPolarHBondContact O-CB 3.09Å; P853-K857 PolarHBondContact O-N 2.68Å |
| 854 | I | 89.3 | Confident | 91.1 | Very high | 111 Ų | 111 | 48.3 Ų | 48.3 | 57% | 0.569 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -57.8 | -42.7 | -168.4 | -156.6 | 159.1 | 0 | 0 | 0 | 112.8 | W858 | I854-W858 PolarHBondContact O-N 3.03Å |
| 855 | L | 90.3 | Very high | 91.6 | Very high | 140 Ų | 140 | 48.7 Ų | 48.7 | 73% | 0.733 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.7 | -49.6 | -178.4 | -176.6 | 65.8 | 0 | 0 | 0 | 111.6 | P853 K857 W858 A859 | P853-L855 VanDerWaalsContact C-N 3.32Å; P853-L855 PolarHBondContact O-N 2.68Å; L855-K857 VanDerWaalsContact C-N 3.34Å; L855-W858 PolarHBondContact O-N 2.04Å; L855-A859 VanDerWaalsContact O-CB 3.24Å; L855-A859 WeakPolarHBondContact O-CB 3.28Å; L855-A859 PolarHBondContact O-N 3.06Å |
| 856 | T | 90.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.8 | -30.2 | -177.9 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | R839 S844 F845 P853 S860 | R839-T856 PolarHBondContact NH1-O 3.49Å; S844-T856 VanDerWaalsContact O-CG2 3.29Å; S844-T856 WeakPolarHBondContact O-CG2 3.44Å; S844-T856 PolarHBondContact O-OG1 3.44Å; F845-T856 HydrophobicContact CD1-CG2 4.17Å; F845-T856 HydrophobicContact CE1-CG2 4.28Å; P853-T856 PolarHBondContact O-N 3.42Å; P853-T856 PolarHBondContact O-OG1 2.96Å; T856-S860 WeakPolarHBondContact O-CB 3.04Å; T856-S860 PolarHBondContact O-N 3.36Å; T856-S860 PolarHBondContact O-OG 3.46Å |
| 857 | K | 92 | Very high | 93 | Very high | 14 Ų | 14 | 51 Ų | 51 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.9 | -54.3 | 169.1 | 177 | -173.5 | 168.1 | -178.6 | 0 | 111.4 | I148 V149 V151 P853 L855 A861 | I148-K857 HydrophobicContact CG2-CB 4.46Å; I148-K857 HydrophobicContact CG2-CG 3.84Å; I148-K857 WeakPolarHBondContact CG2-O 3.43Å; I148-K857 VanDerWaalsContact O-CE 3.24Å; I148-K857 WeakPolarHBondContact O-CE 3.38Å; V149-K857 WeakPolarHBondContact O-CE 3.4Å; V149-K857 PolarHBondContact O-NZ 2.77Å; V151-K857 PolarHBondContact O-NZ 3.43Å; P853-K857 WeakPolarHBondContact O-CB 3.09Å; P853-K857 PolarHBondContact O-N 2.68Å; L855-K857 VanDerWaalsContact C-N 3.34Å; K857-A861 WeakPolarHBondContact O-CB 3.39Å; K857-A861 PolarHBondContact O-N 3.22Å; K857-A861 VanDerWaalsContact O-N 3.15Å |
| 858 | W | 93.4 | Very high | 93.4 | Very high | 154 Ų | 154 | 48.4 Ų | 48.4 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.7 | -39.7 | 179.4 | -76.2 | 110.8 | 0 | 0 | 0 | 112.8 | V149 I854 L855 A861 L862 | V149-W858 HydrophobicContact CG1-CD2 4.38Å; V149-W858 HydrophobicContact CG1-CE3 3.93Å; V149-W858 HydrophobicContact CG1-CH2 4.48Å; V149-W858 HydrophobicContact CG1-CZ3 3.99Å; I854-W858 PolarHBondContact O-N 3.03Å; L855-W858 PolarHBondContact O-N 2.04Å; W858-A861 PolarHBondContact O-N 2.76Å; W858-L862 WeakPolarHBondContact O-CB 3.22Å; W858-L862 PolarHBondContact O-N 3.39Å |
| 859 | A | 94.5 | Very high | 93.7 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 45% | 0.446 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L855 L862 L863 | L855-A859 VanDerWaalsContact O-CB 3.24Å; L855-A859 WeakPolarHBondContact O-CB 3.28Å; L855-A859 PolarHBondContact O-N 3.06Å; A859-L862 PolarHBondContact O-N 3.37Å; A859-L863 WeakPolarHBondContact O-CB 3.36Å; A859-L863 PolarHBondContact O-N 2.92Å |
| 860 | S | 94.6 | Very high | 94 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.5 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | R839 F845 T856 L863 L864 | R839-S860 WeakPolarHBondContact CD-OG 3.3Å; R839-S860 VanDerWaalsContact NH1-CB 3.3Å; R839-S860 PolarHBondContact NH1-OG 3.46Å; F845-S860 WeakPolarHBondContact CE1-OG 3.31Å; T856-S860 WeakPolarHBondContact O-CB 3.04Å; T856-S860 PolarHBondContact O-N 3.36Å; T856-S860 PolarHBondContact O-OG 3.46Å; S860-L863 PolarHBondContact O-N 3.38Å; S860-L864 WeakPolarHBondContact O-CG 3.36Å; S860-L864 PolarHBondContact O-N 3.21Å |
| 861 | A | 95.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | A145 I148 V149 K857 W858 L864 F865 | A145-A861 HydrophobicContact CB-CB 4.18Å; A145-A861 WeakPolarHBondContact CB-O 3.45Å; I148-A861 HydrophobicContact CG2-CB 4.42Å; V149-A861 HydrophobicContact CG1-CB 3.35Å; K857-A861 WeakPolarHBondContact O-CB 3.39Å; K857-A861 PolarHBondContact O-N 3.22Å; K857-A861 VanDerWaalsContact O-N 3.15Å; W858-A861 PolarHBondContact O-N 2.76Å; A861-L864 PolarHBondContact O-N 3.02Å; A861-F865 WeakPolarHBondContact O-CB 3.5Å; A861-F865 PolarHBondContact O-N 2.76Å |
| 862 | L | 96.7 | Very high | 94.3 | Very high | 124 Ų | 124 | 55.4 Ų | 55.4 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 175.7 | -177.5 | 64.7 | 0 | 0 | 0 | 111.4 | W858 A859 F865 L866 | W858-L862 WeakPolarHBondContact O-CB 3.22Å; W858-L862 PolarHBondContact O-N 3.39Å; A859-L862 PolarHBondContact O-N 3.37Å; L862-F865 PolarHBondContact O-N 2.85Å; L862-L866 VanDerWaalsContact O-CB 3.31Å; L862-L866 WeakPolarHBondContact O-CB 3.26Å; L862-L866 PolarHBondContact O-N 3.34Å |
| 863 | L | 97.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 61 Ų | 61 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.6 | 179.1 | 65.7 | 0 | 0 | 0 | 111.8 | V835 A859 S860 L866 F867 | V835-L863 HydrophobicContact CG2-CD2 3.83Å; A859-L863 WeakPolarHBondContact O-CB 3.36Å; A859-L863 PolarHBondContact O-N 2.92Å; S860-L863 PolarHBondContact O-N 3.38Å; L863-L866 WeakPolarHBondContact O-CB 3.33Å; L863-L866 PolarHBondContact O-N 2.87Å; L863-F867 HydrophobicContact CD1-CD1 4.41Å; L863-F867 HydrophobicContact CD1-CE1 3.71Å; L863-F867 HydrophobicContact CD1-CZ 4.01Å; L863-F867 HydrophobicContact CD2-CZ 4.38Å; L863-F867 HydrophobicContact CG-CE1 4.12Å; L863-F867 HydrophobicContact CG-CZ 4.02Å; L863-F867 PolarHBondContact O-N 2.99Å |
| 864 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -41 | 178.8 | -69.2 | -178 | 0 | 0 | 0 | 111.7 | F141 T144 A145 I148 C832 V835 S860 A861 L866 F867 W868 | F141-L864 WeakPolarHBondContact CB-O 3.5Å; T144-L864 HydrophobicContact CG2-CD1 3.6Å; A145-L864 HydrophobicContact CB-CB 4.06Å; I148-L864 HydrophobicContact CD1-CD1 3.78Å; C832-L864 HydrophobicContact CB-CD2 3.96Å; C832-L864 VanDerWaalsContact SG-CD2 3.51Å; V835-L864 HydrophobicContact CB-CD2 4.49Å; V835-L864 HydrophobicContact CG1-CD2 4.43Å; S860-L864 WeakPolarHBondContact O-CG 3.36Å; S860-L864 PolarHBondContact O-N 3.21Å; A861-L864 PolarHBondContact O-N 3.02Å; L864-L866 VanDerWaalsContact C-N 3.3Å; L864-L866 PolarHBondContact O-N 2.93Å; L864-F867 HydrophobicContact CD2-CD2 4.07Å; L864-F867 HydrophobicContact CD2-CE2 4.28Å; L864-F867 WeakPolarHBondContact O-CB 3.49Å; L864-F867 PolarHBondContact O-N 2.74Å; L864-W868 PolarHBondContact O-N 3.26Å |
| 865 | F | 96.1 | Very high | 95.3 | Very high | 95 Ų | 95 | 54.5 Ų | 54.5 | 42% | 0.417 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 174 | -171.3 | -98.4 | 0 | 0 | 0 | 111.8 | A145 A861 L862 F867 W868 V869 | A145-F865 HydrophobicContact CB-CB 4.49Å; A861-F865 WeakPolarHBondContact O-CB 3.5Å; A861-F865 PolarHBondContact O-N 2.76Å; L862-F865 PolarHBondContact O-N 2.85Å; F865-F867 VanDerWaalsContact C-N 3.32Å; F865-F867 PolarHBondContact O-N 3.08Å; F865-W868 HydrophobicContact CD2-CE3 4.42Å; F865-W868 AromaticContact CE2-CE3 3.86Å; F865-W868 HydrophobicContact CE2-CE3 3.86Å; F865-W868 AromaticContact CE2-CZ3 3.99Å; F865-W868 HydrophobicContact CE2-CZ3 3.99Å; F865-W868 HydrophobicContact CZ-CE3 4.01Å; F865-W868 AromaticContact CZ-CZ3 3.91Å; F865-W868 HydrophobicContact CZ-CZ3 3.91Å; F865-W868 WeakPolarHBondContact O-CB 3.13Å; F865-W868 PolarHBondContact O-N 2.9Å; F865-W868 VanDerWaalsContact O-N 3.15Å; F865-V869 HydrophobicContact CD1-CG2 4.12Å; F865-V869 HydrophobicContact CE1-CG2 3.82Å; F865-V869 HydrophobicContact CZ-CG2 4.45Å; F865-V869 PolarHBondContact O-N 3.45Å; F865-V869 VanDerWaalsContact O-N 3.11Å |
| 866 | L | 97.1 | Very high | 95.4 | Very high | 86 Ų | 86 | 48.8 Ų | 48.8 | 45% | 0.45 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 174.6 | -174.7 | 69.4 | 0 | 0 | 0 | 111.8 | L862 L863 L864 W868 V869 I870 | L862-L866 VanDerWaalsContact O-CB 3.31Å; L862-L866 WeakPolarHBondContact O-CB 3.26Å; L862-L866 PolarHBondContact O-N 3.34Å; L863-L866 WeakPolarHBondContact O-CB 3.33Å; L863-L866 PolarHBondContact O-N 2.87Å; L864-L866 VanDerWaalsContact C-N 3.3Å; L864-L866 PolarHBondContact O-N 2.93Å; L866-W868 VanDerWaalsContact C-N 3.28Å; L866-W868 PolarHBondContact O-N 2.79Å; L866-V869 PolarHBondContact O-N 3.44Å; L866-I870 HydrophobicContact CD1-CD1 4.49Å; L866-I870 HydrophobicContact CD1-CG1 4.46Å; L866-I870 HydrophobicContact CD2-CD1 4.2Å; L866-I870 HydrophobicContact CG-CD1 3.81Å; L866-I870 HydrophobicContact CG-CG1 4.21Å; L866-I870 WeakPolarHBondContact O-CB 3.35Å; L866-I870 VanDerWaalsContact O-CG1 3.26Å; L866-I870 WeakPolarHBondContact O-CG1 3.39Å; L866-I870 PolarHBondContact O-N 3.5Å |
| 867 | F | 97.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 173.2 | -70 | -9.3 | 0 | 0 | 0 | 112.3 | F141 L828 F831 L863 L864 F865 I870 Y871 | F141-F867 HydrophobicContact CD1-CB 4.26Å; F141-F867 HydrophobicContact CD1-CD2 4.49Å; F141-F867 HydrophobicContact CD2-CB 4.21Å; F141-F867 HydrophobicContact CE2-CB 4.49Å; F141-F867 HydrophobicContact CG-CB 4.11Å; L828-F867 HydrophobicContact CD2-CD1 4.15Å; L828-F867 HydrophobicContact CD2-CG 4.25Å; F831-F867 HydrophobicContact CB-CE2 3.69Å; F831-F867 HydrophobicContact CB-CZ 3.83Å; L863-F867 HydrophobicContact CD1-CD1 4.41Å; L863-F867 HydrophobicContact CD1-CE1 3.71Å; L863-F867 HydrophobicContact CD1-CZ 4.01Å; L863-F867 HydrophobicContact CD2-CZ 4.38Å; L863-F867 HydrophobicContact CG-CE1 4.12Å; L863-F867 HydrophobicContact CG-CZ 4.02Å; L863-F867 PolarHBondContact O-N 2.99Å; L864-F867 HydrophobicContact CD2-CD2 4.07Å; L864-F867 HydrophobicContact CD2-CE2 4.28Å; L864-F867 WeakPolarHBondContact O-CB 3.49Å; L864-F867 PolarHBondContact O-N 2.74Å; F865-F867 VanDerWaalsContact C-N 3.32Å; F865-F867 PolarHBondContact O-N 3.08Å; F867-I870 PolarHBondContact O-N 3.43Å; F867-Y871 VanDerWaalsContact O-CB 3.3Å; F867-Y871 WeakPolarHBondContact O-CB 3.24Å; F867-Y871 PolarHBondContact O-N 3.05Å |
| 868 | W | 96.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 175.1 | 179.6 | 67.7 | 0 | 0 | 0 | 112.6 | F138 F141 L754 L864 F865 L866 Y871 I872 | F138-W868 HydrophobicContact CD2-CD2 4.22Å; F138-W868 AromaticContact CD2-CE2 3.54Å; F138-W868 HydrophobicContact CD2-CH2 4.46Å; F138-W868 AromaticContact CD2-CZ2 3.67Å; F138-W868 HydrophobicContact CD2-CZ2 3.67Å; F138-W868 AromaticContact CD2-NE1 3.6Å; F138-W868 HydrophobicContact CE2-CH2 4.37Å; F138-W868 AromaticContact CE2-CZ2 3.98Å; F138-W868 HydrophobicContact CE2-CZ2 3.98Å; F141-W868 HydrophobicContact CB-CB 3.89Å; F141-W868 HydrophobicContact CD2-CB 4.19Å; L754-W868 HydrophobicContact CD1-CH2 3.92Å; L754-W868 HydrophobicContact CD1-CZ2 4.09Å; L864-W868 PolarHBondContact O-N 3.26Å; F865-W868 HydrophobicContact CD2-CE3 4.42Å; F865-W868 AromaticContact CE2-CE3 3.86Å; F865-W868 HydrophobicContact CE2-CE3 3.86Å; F865-W868 AromaticContact CE2-CZ3 3.99Å; F865-W868 HydrophobicContact CE2-CZ3 3.99Å; F865-W868 HydrophobicContact CZ-CE3 4.01Å; F865-W868 AromaticContact CZ-CZ3 3.91Å; F865-W868 HydrophobicContact CZ-CZ3 3.91Å; F865-W868 WeakPolarHBondContact O-CB 3.13Å; F865-W868 PolarHBondContact O-N 2.9Å; F865-W868 VanDerWaalsContact O-N 3.15Å; L866-W868 VanDerWaalsContact C-N 3.28Å; L866-W868 PolarHBondContact O-N 2.79Å; W868-Y871 WeakPolarHBondContact O-CB 3.36Å; W868-Y871 PolarHBondContact O-N 2.67Å; W868-I872 HydrophobicContact CD2-CD1 3.88Å; W868-I872 HydrophobicContact CE3-CD1 4.36Å; W868-I872 HydrophobicContact CH2-CD1 3.79Å; W868-I872 HydrophobicContact CZ2-CD1 3.21Å; W868-I872 HydrophobicContact CZ3-CD1 4.31Å; W868-I872 PolarHBondContact O-N 2.72Å |
| 869 | V | 96.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 38% | 0.376 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | F865 L866 Y871 I872 F873 | F865-V869 HydrophobicContact CD1-CG2 4.12Å; F865-V869 HydrophobicContact CE1-CG2 3.82Å; F865-V869 HydrophobicContact CZ-CG2 4.45Å; F865-V869 PolarHBondContact O-N 3.45Å; F865-V869 VanDerWaalsContact O-N 3.11Å; L866-V869 PolarHBondContact O-N 3.44Å; V869-Y871 VanDerWaalsContact C-N 3.34Å; V869-I872 PolarHBondContact O-N 3.1Å; V869-F873 VanDerWaalsContact O-CB 3.25Å; V869-F873 WeakPolarHBondContact O-CB 3.48Å; V869-F873 PolarHBondContact O-N 3.14Å |
| 870 | I | 96.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 45 Ų | 45 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.6 | -71.4 | 168.4 | 0 | 0 | 0 | 110.2 | L828 L866 F867 F873 V874 | L828-I870 HydrophobicContact CD1-CG2 4.42Å; L866-I870 HydrophobicContact CD1-CD1 4.49Å; L866-I870 HydrophobicContact CD1-CG1 4.46Å; L866-I870 HydrophobicContact CD2-CD1 4.2Å; L866-I870 HydrophobicContact CG-CD1 3.81Å; L866-I870 HydrophobicContact CG-CG1 4.21Å; L866-I870 WeakPolarHBondContact O-CB 3.35Å; L866-I870 VanDerWaalsContact O-CG1 3.26Å; L866-I870 WeakPolarHBondContact O-CG1 3.39Å; L866-I870 PolarHBondContact O-N 3.5Å; F867-I870 PolarHBondContact O-N 3.43Å; I870-F873 PolarHBondContact O-N 3.33Å; I870-V874 HydrophobicContact CG2-CG2 4.01Å; I870-V874 VanDerWaalsContact O-CB 3.31Å; I870-V874 WeakPolarHBondContact O-CB 3.27Å; I870-V874 VanDerWaalsContact O-CG2 3.29Å; I870-V874 WeakPolarHBondContact O-CG2 3.41Å; I870-V874 PolarHBondContact O-N 3.17Å |
| 871 | Y | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.2 | -54.3 | 176.9 | 167.2 | -101.2 | 0 | 0 | 0 | 111.4 | V133 A137 I749 S821 L824 F825 F867 W868 V869 F873 S875 | V133-Y871 WeakPolarHBondContact CG1-OH 3.41Å; A137-Y871 HydrophobicContact CB-CD1 3.52Å; A137-Y871 HydrophobicContact CB-CD2 4.41Å; A137-Y871 HydrophobicContact CB-CE1 3.47Å; A137-Y871 VanDerWaalsContact CB-CE1 3.47Å; A137-Y871 HydrophobicContact CB-CE2 4.36Å; A137-Y871 HydrophobicContact CB-CG 4.02Å; I749-Y871 HydrophobicContact CB-CE1 4.3Å; S821-Y871 WeakPolarHBondContact O-CE2 3.28Å; S821-Y871 WeakPolarHBondContact OG-CE2 3.39Å; S821-Y871 VanDerWaalsContact OG-CZ 3.25Å; S821-Y871 PolarHBondContact OG-OH 3.07Å; L824-Y871 HydrophobicContact CD2-CD2 4.14Å; L824-Y871 HydrophobicContact CG-CD2 4.24Å; F825-Y871 HydrophobicContact CB-CD2 4.18Å; F825-Y871 HydrophobicContact CB-CE2 3.85Å; F867-Y871 VanDerWaalsContact O-CB 3.3Å; F867-Y871 WeakPolarHBondContact O-CB 3.24Å; F867-Y871 PolarHBondContact O-N 3.05Å; W868-Y871 WeakPolarHBondContact O-CB 3.36Å; W868-Y871 PolarHBondContact O-N 2.67Å; V869-Y871 VanDerWaalsContact C-N 3.34Å; Y871-F873 PolarHBondContact O-N 3.24Å; Y871-S875 VanDerWaalsContact O-CB 3.22Å; Y871-S875 WeakPolarHBondContact O-CB 3.48Å; Y871-S875 PolarHBondContact O-N 3.32Å; Y871-S875 PolarHBondContact O-OG 3.33Å; Y871-S875 VanDerWaalsContact O-OG 3.12Å |
| 872 | I | 95.5 | Very high | 95.1 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 178.9 | -73.4 | 171.5 | 0 | 0 | 0 | 111.1 | T750 W868 V869 S876 | T750-I872 HydrophobicContact CG2-CB 4.44Å; T750-I872 HydrophobicContact CG2-CD1 4.05Å; T750-I872 HydrophobicContact CG2-CG1 4.12Å; T750-I872 HydrophobicContact CG2-CG2 3.5Å; W868-I872 HydrophobicContact CD2-CD1 3.88Å; W868-I872 HydrophobicContact CE3-CD1 4.36Å; W868-I872 HydrophobicContact CH2-CD1 3.79Å; W868-I872 HydrophobicContact CZ2-CD1 3.21Å; W868-I872 HydrophobicContact CZ3-CD1 4.31Å; W868-I872 PolarHBondContact O-N 2.72Å; V869-I872 PolarHBondContact O-N 3.1Å; I872-S876 VanDerWaalsContact O-CB 3.25Å; I872-S876 WeakPolarHBondContact O-CB 3.38Å; I872-S876 PolarHBondContact O-N 2.97Å; I872-S876 PolarHBondContact O-OG 3.37Å |
| 873 | F | 95.7 | Very high | 94.6 | Very high | 126 Ų | 126 | 51.2 Ų | 51.2 | 55% | 0.553 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.4 | -49.4 | -174.2 | -179.1 | -107.7 | 0 | 0 | 0 | 111.8 | V869 I870 Y871 S876 L877 | V869-F873 VanDerWaalsContact O-CB 3.25Å; V869-F873 WeakPolarHBondContact O-CB 3.48Å; V869-F873 PolarHBondContact O-N 3.14Å; I870-F873 PolarHBondContact O-N 3.33Å; Y871-F873 PolarHBondContact O-N 3.24Å; F873-S876 PolarHBondContact O-N 3.23Å; F873-L877 HydrophobicContact CD1-CD1 3.97Å; F873-L877 HydrophobicContact CE1-CD1 3.43Å; F873-L877 VanDerWaalsContact CE1-CD1 3.43Å; F873-L877 HydrophobicContact CE1-CG 4.24Å; F873-L877 HydrophobicContact CE2-CD1 4.43Å; F873-L877 HydrophobicContact CE2-CG 4.46Å; F873-L877 HydrophobicContact CZ-CD1 3.71Å; F873-L877 HydrophobicContact CZ-CD2 4.4Å; F873-L877 HydrophobicContact CZ-CG 4.19Å; F873-L877 WeakPolarHBondContact O-CG 3.37Å; F873-L877 PolarHBondContact O-N 3.46Å |
| 874 | V | 95.7 | Very high | 93.6 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.8 | -40.6 | -177.6 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | F820 L824 I870 S876 L877 H878 I883 | F820-V874 HydrophobicContact CE1-CG1 3.95Å; F820-V874 HydrophobicContact CZ-CG1 3.81Å; L824-V874 HydrophobicContact CD2-CB 3.74Å; L824-V874 HydrophobicContact CD2-CG1 3.8Å; I870-V874 HydrophobicContact CG2-CG2 4.01Å; I870-V874 VanDerWaalsContact O-CB 3.31Å; I870-V874 WeakPolarHBondContact O-CB 3.27Å; I870-V874 VanDerWaalsContact O-CG2 3.29Å; I870-V874 WeakPolarHBondContact O-CG2 3.41Å; I870-V874 PolarHBondContact O-N 3.17Å; V874-S876 VanDerWaalsContact C-N 3.31Å; V874-S876 PolarHBondContact O-N 3.43Å; V874-L877 PolarHBondContact O-N 2.88Å; V874-H878 PolarHBondContact O-N 3.28Å; V874-I883 HydrophobicContact CG1-CD1 4Å |
| 875 | S | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 172 | -68.8 | 0 | 0 | 0 | 0 | 111.4 | S821 Y871 H878 T879 | S821-S875 PolarHBondContact OG-OG 3.17Å; Y871-S875 VanDerWaalsContact O-CB 3.22Å; Y871-S875 WeakPolarHBondContact O-CB 3.48Å; Y871-S875 PolarHBondContact O-N 3.32Å; Y871-S875 PolarHBondContact O-OG 3.33Å; Y871-S875 VanDerWaalsContact O-OG 3.12Å; S875-H878 PolarHBondContact O-N 3.47Å; S875-T879 WeakPolarHBondContact O-CB 3.15Å; S875-T879 PolarHBondContact O-N 3.01Å; S875-T879 PolarHBondContact O-OG1 3.32Å; S875-T879 VanDerWaalsContact O-OG1 3.08Å |
| 876 | S | 94 | Very high | 90.2 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | I872 F873 V874 H878 T879 Y880 | I872-S876 VanDerWaalsContact O-CB 3.25Å; I872-S876 WeakPolarHBondContact O-CB 3.38Å; I872-S876 PolarHBondContact O-N 2.97Å; I872-S876 PolarHBondContact O-OG 3.37Å; F873-S876 PolarHBondContact O-N 3.23Å; V874-S876 VanDerWaalsContact C-N 3.31Å; V874-S876 PolarHBondContact O-N 3.43Å; S876-H878 VanDerWaalsContact C-N 3.31Å; S876-H878 PolarHBondContact O-N 2.94Å; S876-T879 PolarHBondContact O-N 2.95Å; S876-Y880 WeakPolarHBondContact O-CD2 3.39Å; S876-Y880 PolarHBondContact O-N 2.74Å |
| 877 | L | 94.4 | Very high | 89.8 | Confident | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 177.3 | -74.3 | -179.9 | 0 | 0 | 0 | 112.6 | F873 V874 Y880 G881 H882 I883 | F873-L877 HydrophobicContact CD1-CD1 3.97Å; F873-L877 HydrophobicContact CE1-CD1 3.43Å; F873-L877 VanDerWaalsContact CE1-CD1 3.43Å; F873-L877 HydrophobicContact CE1-CG 4.24Å; F873-L877 HydrophobicContact CE2-CD1 4.43Å; F873-L877 HydrophobicContact CE2-CG 4.46Å; F873-L877 HydrophobicContact CZ-CD1 3.71Å; F873-L877 HydrophobicContact CZ-CD2 4.4Å; F873-L877 HydrophobicContact CZ-CG 4.19Å; F873-L877 WeakPolarHBondContact O-CG 3.37Å; F873-L877 PolarHBondContact O-N 3.46Å; V874-L877 PolarHBondContact O-N 2.88Å; L877-Y880 PolarHBondContact O-N 2.86Å; L877-G881 PolarHBondContact O-N 3.46Å; L877-H882 HydrophobicContact CB-CB 4.32Å; L877-H882 HydrophobicContact CD2-CB 4.02Å; L877-H882 WeakPolarHBondContact O-CB 3.36Å; L877-H882 PolarHBondContact O-N 3.41Å; L877-I883 HydrophobicContact CB-CD1 3.61Å; L877-I883 HydrophobicContact CB-CG1 3.94Å; L877-I883 HydrophobicContact CD1-CD1 3.87Å; L877-I883 HydrophobicContact CD1-CG1 4.48Å; L877-I883 HydrophobicContact CG-CD1 4.43Å; L877-I883 PolarHBondContact O-N 3.14Å |
| 878 | H | 93.7 | Very high | 89.4 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 172.8 | 176 | -88.3 | 0 | 0 | 0 | 111.2 | G816 D817 F820 V874 S875 S876 Y880 G881 I883 G885 | G816-H878 PolarHBondContact O-CE1 3.24Å; D817-H878 IonicContact OD1-CE1 3.89Å; D817-H878 IonicContact OD1-ND1 2.7Å; D817-H878 PolarHBondContact OD1-ND1 3.5Å; F820-H878 HydrophobicContact CD1-CB 3.56Å; F820-H878 AromaticContact CD1-CD2 4Å; F820-H878 AromaticContact CD1-CG 3.57Å; F820-H878 HydrophobicContact CD2-CB 4.44Å; F820-H878 AromaticContact CD2-CD2 3.45Å; F820-H878 VanDerWaalsContact CD2-CD2 3.45Å; F820-H878 WeakPolarHBondContact CD2-CD2 3.49Å; F820-H878 AromaticContact CD2-CG 3.91Å; F820-H878 AromaticContact CD2-NE2 3.89Å; F820-H878 HydrophobicContact CE1-CB 3.53Å; F820-H878 AromaticContact CE1-CG 3.98Å; F820-H878 HydrophobicContact CE2-CB 4.4Å; F820-H878 AromaticContact CE2-CD2 3.84Å; F820-H878 HydrophobicContact CG-CB 4.04Å; F820-H878 AromaticContact CG-CD2 3.53Å; F820-H878 AromaticContact CG-CG 3.54Å; F820-H878 AromaticContact CG-ND1 3.89Å; F820-H878 AromaticContact CG-NE2 3.88Å; F820-H878 HydrophobicContact CZ-CB 3.97Å; V874-H878 PolarHBondContact O-N 3.28Å; S875-H878 PolarHBondContact O-N 3.47Å; S876-H878 VanDerWaalsContact C-N 3.31Å; S876-H878 PolarHBondContact O-N 2.94Å; H878-Y880 PolarHBondContact O-N 2.95Å; H878-G881 WeakPolarHBondContact O-CA 3.44Å; H878-G881 PolarHBondContact O-N 3.17Å; H878-I883 PolarHBondContact CD2-O 3.4Å; H878-G885 VanDerWaalsContact CD2-CA 3.49Å; H878-G885 WeakPolarHBondContact CD2-CA 3.42Å; H878-G885 PolarHBondContact CD2-N 2.64Å; H878-G885 VanDerWaalsContact CD2-N 3.33Å; H878-G885 VanDerWaalsContact NE2-CA 3.27Å; H878-G885 WeakPolarHBondContact NE2-CA 3.38Å; H878-G885 PolarHBondContact NE2-N 3.3Å |
| 879 | T | 91.6 | Very high | 89 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -31 | -179.6 | -67.8 | 0 | 0 | 0 | 0 | 113.5 | K743 S745 V746 D817 S875 S876 G881 | K743-T879 HydrophobicContact CB-CG2 3.94Å; K743-T879 HydrophobicContact CD-CG2 3.57Å; K743-T879 WeakPolarHBondContact CE-O 3.2Å; K743-T879 HydrophobicContact CG-CG2 4.24Å; K743-T879 PolarHBondContact NZ-O 2.7Å; S745-T879 VanDerWaalsContact OG-CG2 3.29Å; S745-T879 WeakPolarHBondContact OG-CG2 3.48Å; V746-T879 HydrophobicContact CG2-CG2 3.66Å; D817-T879 WeakPolarHBondContact OD1-CA 3.13Å; D817-T879 WeakPolarHBondContact OD1-CB 3.45Å; D817-T879 PolarHBondContact OD1-OG1 3.41Å; S875-T879 WeakPolarHBondContact O-CB 3.15Å; S875-T879 PolarHBondContact O-N 3.01Å; S875-T879 PolarHBondContact O-OG1 3.32Å; S875-T879 VanDerWaalsContact O-OG1 3.08Å; S876-T879 PolarHBondContact O-N 2.95Å; T879-G881 VanDerWaalsContact C-N 3.34Å |
| 880 | Y | 92.8 | Very high | 88.6 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.1 | 172.6 | -74.3 | -75.6 | 0 | 0 | 0 | 114.4 | G741 L742 K743 V746 S876 L877 H878 H882 | G741-Y880 PolarHBondContact O-OH 2.99Å; L742-Y880 WeakPolarHBondContact CA-OH 3.32Å; K743-Y880 HydrophobicContact CG-CE1 4.43Å; V746-Y880 HydrophobicContact CG2-CE2 3.97Å; S876-Y880 WeakPolarHBondContact O-CD2 3.39Å; S876-Y880 PolarHBondContact O-N 2.74Å; L877-Y880 PolarHBondContact O-N 2.86Å; H878-Y880 PolarHBondContact O-N 2.95Å; Y880-H882 VanDerWaalsContact C-N 3.32Å; Y880-H882 PolarHBondContact O-N 2.94Å |
| 881 | G | 89.5 | Confident | 88.1 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 13.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L877 H878 T879 I883 | L877-G881 PolarHBondContact O-N 3.46Å; H878-G881 WeakPolarHBondContact O-CA 3.44Å; H878-G881 PolarHBondContact O-N 3.17Å; T879-G881 VanDerWaalsContact C-N 3.34Å; G881-I883 VanDerWaalsContact C-N 3.34Å |
| 882 | H | 90.5 | Very high | 87.5 | Confident | 147 Ų | 147 | 65.3 Ų | 65.3 | 68% | 0.681 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -78.1 | -22.3 | 174.7 | -68.5 | -59.1 | 0 | 0 | 0 | 112.7 | L877 Y880 | L877-H882 HydrophobicContact CB-CB 4.32Å; L877-H882 HydrophobicContact CD2-CB 4.02Å; L877-H882 WeakPolarHBondContact O-CB 3.36Å; L877-H882 PolarHBondContact O-N 3.41Å; Y880-H882 VanDerWaalsContact C-N 3.32Å; Y880-H882 PolarHBondContact O-N 2.94Å |
| 883 | I | 87.1 | Confident | 86.9 | Confident | 57 Ų | 57 | 68 Ų | 68 | 29% | 0.292 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -121.6 | 123.8 | 173 | -61.1 | 173.2 | 0 | 0 | 0 | 107.1 | F820 V874 L877 H878 G881 G885 | F820-I883 HydrophobicContact CZ-CG2 4.49Å; V874-I883 HydrophobicContact CG1-CD1 4Å; L877-I883 HydrophobicContact CB-CD1 3.61Å; L877-I883 HydrophobicContact CB-CG1 3.94Å; L877-I883 HydrophobicContact CD1-CD1 3.87Å; L877-I883 HydrophobicContact CD1-CG1 4.48Å; L877-I883 HydrophobicContact CG-CD1 4.43Å; L877-I883 PolarHBondContact O-N 3.14Å; H878-I883 PolarHBondContact CD2-O 3.4Å; G881-I883 VanDerWaalsContact C-N 3.34Å; I883-G885 PolarHBondContact O-N 2.98Å |
| 884 | S | 75.1 | Confident | 86.2 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 85% | 0.846 | 36% | 0.362 | S | S | * | . | trans | -72.4 | 115.3 | 169.6 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 885 | G | 66.7 | Low | 85.4 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | trans | -96.4 | -152.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H878 I883 | H878-G885 VanDerWaalsContact CD2-CA 3.49Å; H878-G885 WeakPolarHBondContact CD2-CA 3.42Å; H878-G885 PolarHBondContact CD2-N 2.64Å; H878-G885 VanDerWaalsContact CD2-N 3.33Å; H878-G885 VanDerWaalsContact NE2-CA 3.27Å; H878-G885 WeakPolarHBondContact NE2-CA 3.38Å; H878-G885 PolarHBondContact NE2-N 3.3Å; I883-G885 PolarHBondContact O-N 2.98Å | ||
| 886 | F | 55 | Low | 84.6 | Confident | 181 Ų | 181 | 71.7 Ų | 71.7 | 79% | 0.794 | 41% | 0.408 | S | S | * | . | trans | -62.1 | 0 | -176.6 | -61.2 | -75.8 | 0 | 0 | 0 | 113.5 | I184 T823 | I184-F886 HydrophobicContact CD1-CD2 4.1Å; I184-F886 HydrophobicContact CD1-CE2 4.1Å; I184-F886 HydrophobicContact CD1-CG 4.47Å; I184-F886 HydrophobicContact CD1-CZ 4.48Å; T823-F886 HydrophobicContact CG2-CE2 4.49Å |
Retrieved 886 of 886 residues in 292.5 ms
(Link to these results)