| 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 | 26.7 | Very low | 34.8 | Very low | 213 Ų | 213 | 85.3 Ų | 85.3 | 100% | 1.049 | 48% | 0.478 | S | S | * | . | 0 | 110.4 | 0 | -80.2 | 176.7 | -142.9 | 0 | 0 | 108.4 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.35Š| |||
| 2 | L | 28.8 | Very low | 36.3 | Very low | 44 Ų | 44 | 80.1 Ų | 80.1 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | trans | -63.3 | 119.7 | 165.9 | -82.5 | 163.3 | 0 | 0 | 0 | 106.9 | F4 R51 W95 V98 | L2-F4 HydrophobicContact CB-CD2 4.36Å; L2-F4 HydrophobicContact CB-CE2 4.47Å; L2-F4 PolarHBondContact O-N 3Å; L2-R51 HydrophobicContact CD2-CG 4.45Å; L2-W95 HydrophobicContact CD2-CH2 3.79Å; L2-W95 HydrophobicContact CD2-CZ2 4.39Å; L2-W95 HydrophobicContact CD2-CZ3 4.21Å; L2-V98 HydrophobicContact CD1-CB 4.48Å; L2-V98 HydrophobicContact CD1-CG1 4.04Å; L2-V98 HydrophobicContact CD1-CG2 3.54Å; L2-V98 HydrophobicContact CG-CG2 4.27Å | ||
| 3 | P | 27 | Very low | 37.8 | Very low | 91 Ų | 91 | 78.6 Ų | 78.6 | 59% | 0.591 | 45% | 0.448 | S | S | * | . | trans | -79.8 | 83 | 177.4 | 33.1 | -29.2 | 0 | 0 | 0 | 106.6 | M1 | M1-P3 WeakPolarHBondContact O-CD 3.35Š| ||
| 4 | F | 36 | Very low | 40 | Very low | 52 Ų | 52 | 77.9 Ų | 77.9 | 23% | 0.228 | 44% | 0.442 | C | S | . | . | trans | -69.7 | 132.4 | 139.4 | -70.3 | -81.8 | 0 | 0 | 0 | 105 | L2 E163 | L2-F4 HydrophobicContact CB-CD2 4.36Å; L2-F4 HydrophobicContact CB-CE2 4.47Å; L2-F4 PolarHBondContact O-N 3Å; F4-E163 WeakPolarHBondContact CB-OE2 3.37Å | ||
| 5 | C | 26.6 | Very low | 42.6 | Very low | 65 Ų | 65 | 73.2 Ų | 73.2 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | trans | -59.4 | 126.7 | -170 | -163.4 | 0 | 0 | 0 | 0 | 108.1 | T7 C8 | C5-T7 PolarHBondContact O-N 3.34Å; C5-T7 PolarHBondContact SG-OG1 3.43Å; C5-C8 HydrophobicContact CB-CB 3.98Å; C5-C8 PolarHBondContact O-N 3.41Å | ||
| 6 | P | 30.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 72.4 Ų | 72.4 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 1.6 | -176.4 | 24.2 | -32.6 | 0 | 0 | 0 | 113.7 | Q223 | P6-Q223 PolarHBondContact O-NE2 2.61Š|
| 7 | T | 30.7 | Very low | 47.2 | Very low | 97 Ų | 97 | 76 Ų | 76 | 60% | 0.595 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -5.8 | 176.2 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | C5 S9 Y227 | C5-T7 PolarHBondContact O-N 3.34Å; C5-T7 PolarHBondContact SG-OG1 3.43Å; T7-S9 PolarHBondContact O-N 3.05Å; T7-Y227 PolarHBondContact O-OH 3.27Å |
| 8 | C | 33.7 | Very low | 49.4 | Very low | 81 Ų | 81 | 73.5 Ų | 73.5 | 55% | 0.547 | 41% | 0.412 | S | S | . | . | trans | -90.2 | 96.5 | -179.1 | -87.8 | 0 | 0 | 0 | 0 | 110.6 | C5 I10 | C5-C8 HydrophobicContact CB-CB 3.98Å; C5-C8 PolarHBondContact O-N 3.41Å; C8-I10 PolarHBondContact O-N 2.85Å | ||
| 9 | S | 40.7 | Very low | 51.4 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | trans | -56.1 | 126.6 | 152 | 69.2 | 0 | 0 | 0 | 0 | 106.9 | T7 R11 Y227 | T7-S9 PolarHBondContact O-N 3.05Å; S9-R11 PolarHBondContact O-N 2.96Å; S9-Y227 VanDerWaalsContact CB-CZ 3.41Å; S9-Y227 WeakPolarHBondContact CB-OH 3.33Å; S9-Y227 WeakPolarHBondContact OG-CE1 3.44Å; S9-Y227 PolarHBondContact OG-OH 2.81Å; S9-Y227 VanDerWaalsContact OG-OH 3.1Å | ||
| 10 | I | 50.5 | Low | 53.3 | Low | 62 Ų | 62 | 74.5 Ų | 74.5 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | trans | -69.3 | 103.9 | 167.9 | -57.3 | 175.9 | 0 | 0 | 0 | 105.2 | C8 T12 L215 | C8-I10 PolarHBondContact O-N 2.85Å; I10-T12 VanDerWaalsContact C-N 3.27Å; I10-T12 HydrophobicContact CG2-CG2 3.7Å; I10-T12 PolarHBondContact O-N 3.23Å; I10-T12 VanDerWaalsContact O-N 3.1Å; I10-L215 HydrophobicContact CB-CD1 4.1Å; I10-L215 HydrophobicContact CG2-CD1 4.26Å; I10-L215 WeakPolarHBondContact O-CD1 3.39Å; I10-L215 PolarHBondContact O-N 3.09Å | ||
| 11 | R | 51 | Low | 55.1 | Low | 98 Ų | 98 | 73.4 Ų | 73.4 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 91.4 | 164.7 | -155.5 | 176.5 | -167.4 | 177.3 | 6.4 | 104.7 | S9 S13 E234 | S9-R11 PolarHBondContact O-N 2.96Å; R11-S13 VanDerWaalsContact C-N 3.28Å; R11-S13 PolarHBondContact O-N 3.2Å; R11-E234 IonicContact CZ-OE2 2.62Å; R11-E234 IonicContact NH2-OE1 3.62Å; R11-E234 IonicContact NH2-OE2 2.7Å; R11-E234 PolarHBondContact NH2-OE2 3.04Å |
| 12 | T | 53.3 | Low | 58.3 | Low | 23 Ų | 23 | 65.1 Ų | 65.1 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 98.4 | 172.9 | 43.4 | 0 | 0 | 0 | 0 | 106.6 | I10 L172 K213 L215 | I10-T12 VanDerWaalsContact C-N 3.27Å; I10-T12 HydrophobicContact CG2-CG2 3.7Å; I10-T12 PolarHBondContact O-N 3.23Å; I10-T12 VanDerWaalsContact O-N 3.1Å; T12-L172 HydrophobicContact CG2-CD2 4.29Å; T12-L172 WeakPolarHBondContact OG1-CD2 3.44Å; T12-K213 WeakPolarHBondContact OG1-CB 3.42Å; T12-L215 HydrophobicContact CG2-CD1 3.44Å; T12-L215 VanDerWaalsContact CG2-CD1 3.44Å |
| 13 | S | 55.1 | Low | 61.3 | Low | 61 Ų | 61 | 65.7 Ų | 65.7 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | trans | -70.4 | 167.4 | 174.5 | 56.2 | 0 | 0 | 0 | 0 | 110 | R11 T15 Y17 | R11-S13 VanDerWaalsContact C-N 3.28Å; R11-S13 PolarHBondContact O-N 3.2Å; S13-T15 PolarHBondContact O-N 3.05Å; S13-Y17 VanDerWaalsContact CB-CD2 3.41Å; S13-Y17 WeakPolarHBondContact OG-CB 3.37Å; S13-Y17 VanDerWaalsContact OG-CD2 3.25Å; S13-Y17 WeakPolarHBondContact OG-CD2 3.22Å | ||
| 14 | N | 68.8 | Low | 64.6 | Low | 69 Ų | 69 | 67.4 Ų | 67.4 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | trans | -35.7 | 135.2 | 177.6 | -172.8 | -21.2 | 0 | 0 | 0 | 112.4 | A16 Y17 | N14-A16 PolarHBondContact O-N 3.35Å; N14-A16 PolarHBondContact OD1-N 3.14Å; N14-Y17 HydrophobicContact CB-CD2 3.95Å; N14-Y17 HydrophobicContact CB-CE2 4.08Å; N14-Y17 WeakPolarHBondContact O-CD2 3.36Å; N14-Y17 PolarHBondContact O-N 3.3Å | ||
| 15 | T | 79.1 | Confident | 67.4 | Low | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.043 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -44.3 | -29.2 | 177.4 | -73.6 | 0 | 0 | 0 | 0 | 114.2 | S13 Y17 L18 M19 L63 R127 E176 I179 | S13-T15 PolarHBondContact O-N 3.05Å; T15-Y17 PolarHBondContact O-N 3.41Å; T15-L18 WeakPolarHBondContact O-CB 3.22Å; T15-L18 PolarHBondContact O-N 3.23Å; T15-L18 VanDerWaalsContact O-N 3.15Å; T15-M19 HydrophobicContact CG2-CG 4.35Å; T15-M19 WeakPolarHBondContact O-CG 3.35Å; T15-M19 PolarHBondContact O-N 3.4Å; T15-L63 HydrophobicContact CG2-CD2 4.25Å; T15-R127 PolarHBondContact OG1-NH1 2.91Å; T15-E176 VanDerWaalsContact OG1-CD 3.3Å; T15-E176 PolarHBondContact OG1-OE2 3.4Å; T15-I179 HydrophobicContact CG2-CD1 3.19Å; T15-I179 HydrophobicContact CG2-CG1 3.41Å; T15-I179 VanDerWaalsContact CG2-CG1 3.41Å |
| 16 | A | 79.9 | Confident | 70.6 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.9 | -45.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N14 L18 M19 E20 | N14-A16 PolarHBondContact O-N 3.35Å; N14-A16 PolarHBondContact OD1-N 3.14Å; A16-L18 VanDerWaalsContact C-N 3.29Å; A16-L18 PolarHBondContact O-N 3.15Å; A16-M19 WeakPolarHBondContact O-CB 3.38Å; A16-M19 PolarHBondContact O-N 3.33Å; A16-E20 PolarHBondContact O-N 3.39Å |
| 17 | Y | 83.8 | Confident | 73.7 | Confident | 134 Ų | 134 | 63 Ų | 63 | 53% | 0.525 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.8 | -32.5 | 178.2 | -62.1 | -66 | 0 | 0 | 0 | 112.3 | S13 N14 T15 E20 T21 | S13-Y17 VanDerWaalsContact CB-CD2 3.41Å; S13-Y17 WeakPolarHBondContact OG-CB 3.37Å; S13-Y17 VanDerWaalsContact OG-CD2 3.25Å; S13-Y17 WeakPolarHBondContact OG-CD2 3.22Å; N14-Y17 HydrophobicContact CB-CD2 3.95Å; N14-Y17 HydrophobicContact CB-CE2 4.08Å; N14-Y17 WeakPolarHBondContact O-CD2 3.36Å; N14-Y17 PolarHBondContact O-N 3.3Å; T15-Y17 PolarHBondContact O-N 3.41Å; Y17-E20 PolarHBondContact O-N 3.3Å; Y17-T21 WeakPolarHBondContact O-CB 3.49Å; Y17-T21 PolarHBondContact O-N 3.04Å; Y17-T21 PolarHBondContact O-OG1 3.29Å |
| 18 | L | 86.9 | Confident | 76.6 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.5 | -39 | 176.3 | -171.4 | 65.5 | 0 | 0 | 0 | 110.9 | T15 A16 T21 Y22 V59 L62 L63 | T15-L18 WeakPolarHBondContact O-CB 3.22Å; T15-L18 PolarHBondContact O-N 3.23Å; T15-L18 VanDerWaalsContact O-N 3.15Å; A16-L18 VanDerWaalsContact C-N 3.29Å; A16-L18 PolarHBondContact O-N 3.15Å; L18-T21 PolarHBondContact O-N 3Å; L18-Y22 WeakPolarHBondContact O-CB 3.04Å; L18-Y22 PolarHBondContact O-N 3.49Å; L18-V59 HydrophobicContact CD1-CB 4.22Å; L18-V59 HydrophobicContact CD1-CG1 3.86Å; L18-V59 HydrophobicContact CD1-CG2 3.99Å; L18-V59 HydrophobicContact CG-CG1 4.32Å; L18-L62 HydrophobicContact CD1-CB 4.25Å; L18-L62 HydrophobicContact CD1-CD1 4.1Å; L18-L62 HydrophobicContact CD2-CB 3.49Å; L18-L62 VanDerWaalsContact CD2-CB 3.49Å; L18-L62 HydrophobicContact CD2-CD1 4.48Å; L18-L62 HydrophobicContact CG-CB 4.47Å; L18-L63 HydrophobicContact CB-CD2 4.14Å; L18-L63 HydrophobicContact CD2-CD2 3.47Å; L18-L63 VanDerWaalsContact CD2-CD2 3.47Å; L18-L63 HydrophobicContact CD2-CG 3.58Å; L18-L63 HydrophobicContact CG-CD1 4.15Å; L18-L63 HydrophobicContact CG-CD2 3.69Å; L18-L63 HydrophobicContact CG-CG 3.65Å |
| 19 | M | 88 | Confident | 79.4 | Confident | 31 Ų | 31 | 59 Ų | 59 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 172.1 | -73 | -62.6 | -70.5 | 0 | 0 | 112.2 | T15 A16 T21 Y22 A23 L63 I179 E181 | T15-M19 HydrophobicContact CG2-CG 4.35Å; T15-M19 WeakPolarHBondContact O-CG 3.35Å; T15-M19 PolarHBondContact O-N 3.4Å; A16-M19 WeakPolarHBondContact O-CB 3.38Å; A16-M19 PolarHBondContact O-N 3.33Å; M19-T21 VanDerWaalsContact C-N 3.35Å; M19-T21 PolarHBondContact O-N 2.92Å; M19-Y22 WeakPolarHBondContact O-CB 3.43Å; M19-Y22 PolarHBondContact O-N 2.68Å; M19-A23 PolarHBondContact O-N 3.05Å; M19-L63 HydrophobicContact CG-CD2 4.05Å; M19-L63 HydrophobicContact SD-CD1 3.69Å; M19-L63 HydrophobicContact SD-CD2 3.62Å; M19-L63 HydrophobicContact SD-CG 4.27Å; M19-I179 HydrophobicContact CG-CD1 3.99Å; M19-I179 HydrophobicContact SD-CD1 3.82Å; M19-E181 WeakPolarHBondContact CE-OE2 3.37Å |
| 20 | E | 88.6 | Confident | 81.8 | Confident | 135 Ų | 135 | 62 Ų | 62 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 175.3 | -167.7 | 178.6 | -162.9 | 0 | 0 | 111.4 | A16 Y17 Y22 A23 F24 | A16-E20 PolarHBondContact O-N 3.39Å; Y17-E20 PolarHBondContact O-N 3.3Å; E20-Y22 VanDerWaalsContact C-N 3.32Å; E20-Y22 PolarHBondContact O-N 3.46Å; E20-A23 PolarHBondContact O-N 2.89Å; E20-F24 PolarHBondContact O-N 3.37Å |
| 21 | T | 91.4 | Very high | 83.8 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | Y17 L18 M19 F24 Y25 V59 | Y17-T21 WeakPolarHBondContact O-CB 3.49Å; Y17-T21 PolarHBondContact O-N 3.04Å; Y17-T21 PolarHBondContact O-OG1 3.29Å; L18-T21 PolarHBondContact O-N 3Å; M19-T21 VanDerWaalsContact C-N 3.35Å; M19-T21 PolarHBondContact O-N 2.92Å; T21-F24 PolarHBondContact O-N 2.87Å; T21-Y25 HydrophobicContact CG2-CD2 3.96Å; T21-Y25 HydrophobicContact CG2-CE2 3.55Å; T21-Y25 WeakPolarHBondContact O-CD2 3.45Å; T21-Y25 PolarHBondContact O-N 3.47Å; T21-V59 HydrophobicContact CG2-CG2 3.84Å |
| 22 | Y | 92.9 | Very high | 85.6 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 174.4 | 174.3 | -95 | 0 | 0 | 0 | 111.7 | L18 M19 E20 F24 Y25 L26 F56 V59 L63 K65 Q68 | L18-Y22 WeakPolarHBondContact O-CB 3.04Å; L18-Y22 PolarHBondContact O-N 3.49Å; M19-Y22 WeakPolarHBondContact O-CB 3.43Å; M19-Y22 PolarHBondContact O-N 2.68Å; E20-Y22 VanDerWaalsContact C-N 3.32Å; E20-Y22 PolarHBondContact O-N 3.46Å; Y22-F24 VanDerWaalsContact C-N 3.31Å; Y22-F24 PolarHBondContact O-N 3.1Å; Y22-Y25 PolarHBondContact O-N 2.81Å; Y22-L26 HydrophobicContact CE1-CD2 4.24Å; Y22-L26 WeakPolarHBondContact O-CB 3.33Å; Y22-L26 PolarHBondContact O-N 2.96Å; Y22-F56 AromaticContact CD2-CE2 3.67Å; Y22-F56 HydrophobicContact CD2-CE2 3.67Å; Y22-F56 HydrophobicContact CD2-CZ 4.43Å; Y22-F56 AromaticContact CE2-CE2 3.82Å; Y22-F56 HydrophobicContact CE2-CE2 3.82Å; Y22-F56 HydrophobicContact CE2-CZ 4.2Å; Y22-V59 HydrophobicContact CD2-CG1 4.34Å; Y22-L63 VanDerWaalsContact CB-CD1 3.44Å; Y22-L63 HydrophobicContact CD2-CD1 3.96Å; Y22-L63 HydrophobicContact CG-CD1 3.75Å; Y22-K65 HydrophobicContact CE2-CG 4.34Å; Y22-Q68 HydrophobicContact CE2-CG 4.5Å |
| 23 | A | 93.5 | Very high | 87.1 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | M19 E20 L26 A27 | M19-A23 PolarHBondContact O-N 3.05Å; E20-A23 PolarHBondContact O-N 2.89Å; A23-L26 PolarHBondContact O-N 3.45Å; A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.14Å |
| 24 | F | 95 | Very high | 88.6 | Confident | 127 Ų | 127 | 74 Ų | 74 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.5 | -49.7 | 174.1 | 174.4 | -99.3 | 0 | 0 | 0 | 112.1 | E20 T21 Y22 L26 A27 V28 | E20-F24 PolarHBondContact O-N 3.37Å; T21-F24 PolarHBondContact O-N 2.87Å; Y22-F24 VanDerWaalsContact C-N 3.31Å; Y22-F24 PolarHBondContact O-N 3.1Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 2.72Å; F24-A27 WeakPolarHBondContact O-CB 3.49Å; F24-A27 PolarHBondContact O-N 3.29Å; F24-V28 HydrophobicContact CD1-CG2 4.45Å; F24-V28 HydrophobicContact CE1-CG2 4Å; F24-V28 HydrophobicContact CE2-CG2 4.38Å; F24-V28 HydrophobicContact CZ-CG2 3.96Å; F24-V28 WeakPolarHBondContact O-CG2 3.31Å; F24-V28 PolarHBondContact O-N 2.94Å |
| 25 | Y | 95.6 | Very high | 89.2 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 178.1 | -69.9 | -34 | 0 | 0 | 0 | 112.7 | T21 Y22 A27 V28 R29 Y52 R55 F56 V59 | T21-Y25 HydrophobicContact CG2-CD2 3.96Å; T21-Y25 HydrophobicContact CG2-CE2 3.55Å; T21-Y25 WeakPolarHBondContact O-CD2 3.45Å; T21-Y25 PolarHBondContact O-N 3.47Å; Y22-Y25 PolarHBondContact O-N 2.81Å; Y25-A27 VanDerWaalsContact C-N 3.3Å; Y25-A27 PolarHBondContact O-N 2.88Å; Y25-V28 PolarHBondContact O-N 3.19Å; Y25-R29 PolarHBondContact O-N 3.41Å; Y25-Y52 AromaticContact CD1-CD2 3.75Å; Y25-Y52 HydrophobicContact CD1-CD2 3.75Å; Y25-Y52 AromaticContact CD1-CE2 3.55Å; Y25-Y52 HydrophobicContact CD1-CE2 3.55Å; Y25-Y52 HydrophobicContact CE1-CD2 4.09Å; Y25-Y52 HydrophobicContact CE1-CE2 4.34Å; Y25-Y52 HydrophobicContact CG-CD2 4.5Å; Y25-Y52 AromaticContact CG-CE2 3.99Å; Y25-Y52 HydrophobicContact CG-CE2 3.99Å; Y25-Y52 PolarHBondContact O-OH 2.92Å; Y25-R55 HydrophobicContact CE2-CB 4.12Å; Y25-R55 WeakPolarHBondContact OH-CB 3.47Å; Y25-F56 VanDerWaalsContact CB-CD2 3.42Å; Y25-F56 HydrophobicContact CD2-CB 3.89Å; Y25-F56 AromaticContact CD2-CD2 3.67Å; Y25-F56 HydrophobicContact CD2-CD2 3.67Å; Y25-F56 HydrophobicContact CD2-CE2 4.49Å; Y25-F56 AromaticContact CD2-CG 4Å; Y25-F56 HydrophobicContact CD2-CG 4Å; Y25-F56 HydrophobicContact CE2-CB 4.47Å; Y25-F56 HydrophobicContact CG-CB 4.11Å; Y25-F56 AromaticContact CG-CD2 3.95Å; Y25-F56 HydrophobicContact CG-CD2 3.95Å; Y25-F56 HydrophobicContact CG-CG 4.04Å; Y25-V59 HydrophobicContact CD2-CB 4.41Å; Y25-V59 HydrophobicContact CD2-CG2 4.13Å; Y25-V59 HydrophobicContact CE2-CG2 3.78Å |
| 26 | L | 94.3 | Very high | 89.1 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 36% | 0.356 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 173.6 | -165.2 | 70.5 | 0 | 0 | 0 | 111.9 | Y22 A23 F24 R29 S30 F56 | Y22-L26 HydrophobicContact CE1-CD2 4.24Å; Y22-L26 WeakPolarHBondContact O-CB 3.33Å; Y22-L26 PolarHBondContact O-N 2.96Å; A23-L26 PolarHBondContact O-N 3.45Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 2.72Å; L26-R29 PolarHBondContact O-N 3.38Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.47Å; L26-S30 PolarHBondContact O-OG 3.43Å; L26-F56 HydrophobicContact CB-CZ 4.5Å; L26-F56 HydrophobicContact CD1-CZ 4.39Å |
| 27 | A | 94.2 | Very high | 89 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A23 F24 Y25 R29 S30 R31 | A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.14Å; F24-A27 WeakPolarHBondContact O-CB 3.49Å; F24-A27 PolarHBondContact O-N 3.29Å; Y25-A27 VanDerWaalsContact C-N 3.3Å; Y25-A27 PolarHBondContact O-N 2.88Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 2.9Å; A27-S30 WeakPolarHBondContact CA-OG 3.45Å; A27-S30 PolarHBondContact O-N 3.38Å; A27-S30 PolarHBondContact O-OG 3Å; A27-S30 VanDerWaalsContact O-OG 3.08Å; A27-R31 WeakPolarHBondContact O-CB 3.46Å; A27-R31 WeakPolarHBondContact O-CG 3.32Å; A27-R31 PolarHBondContact O-N 3.04Å; A27-R31 VanDerWaalsContact O-N 3.08Å |
| 28 | V | 93.1 | Very high | 88.3 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | F24 Y25 Q32 Y33 F34 Y52 | F24-V28 HydrophobicContact CD1-CG2 4.45Å; F24-V28 HydrophobicContact CE1-CG2 4Å; F24-V28 HydrophobicContact CE2-CG2 4.38Å; F24-V28 HydrophobicContact CZ-CG2 3.96Å; F24-V28 WeakPolarHBondContact O-CG2 3.31Å; F24-V28 PolarHBondContact O-N 2.94Å; Y25-V28 PolarHBondContact O-N 3.19Å; V28-Q32 PolarHBondContact O-N 3.45Å; V28-Y33 HydrophobicContact CB-CD2 4.46Å; V28-Y33 HydrophobicContact CG1-CD2 4.4Å; V28-Y33 HydrophobicContact CG1-CG 4.47Å; V28-Y33 PolarHBondContact O-N 3.47Å; V28-F34 HydrophobicContact CG1-CD2 4.22Å; V28-F34 HydrophobicContact CG1-CE2 3.8Å; V28-Y52 HydrophobicContact CB-CE2 3.91Å; V28-Y52 HydrophobicContact CG1-CD2 4.08Å; V28-Y52 HydrophobicContact CG1-CE1 4.49Å; V28-Y52 HydrophobicContact CG1-CE2 3.64Å |
| 29 | R | 91.9 | Very high | 87.6 | Confident | 78 Ų | 78 | 76 Ų | 76 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.3 | -52 | 176.9 | -171.6 | 177.8 | 167.6 | 109.5 | 2.4 | 112.4 | Y25 L26 A27 R31 Q32 Y52 E75 | Y25-R29 PolarHBondContact O-N 3.41Å; L26-R29 PolarHBondContact O-N 3.38Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 2.9Å; R29-R31 VanDerWaalsContact C-N 3.34Å; R29-R31 PolarHBondContact O-N 3.47Å; R29-Q32 PolarHBondContact O-N 2.8Å; R29-Q32 VanDerWaalsContact O-N 3.13Å; R29-Y52 WeakPolarHBondContact CB-OH 3.38Å; R29-E75 IonicContact CZ-OE1 3.65Å; R29-E75 IonicContact CZ-OE2 3.2Å; R29-E75 IonicContact NH1-OE1 2.94Å; R29-E75 PolarHBondContact NH1-OE1 3.16Å; R29-E75 IonicContact NH1-OE2 3.7Å; R29-E75 PolarHBondContact NH1-OE2 3.14Å; R29-E75 IonicContact NH2-OE1 3.98Å; R29-E75 PolarHBondContact NH2-OE1 3.38Å; R29-E75 IonicContact NH2-OE2 2.67Å; R29-E75 PolarHBondContact NH2-OE2 2.81Å |
| 30 | S | 90.2 | Very high | 87 | Confident | 88 Ų | 88 | 78.7 Ų | 78.7 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | -175.1 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | L26 A27 Q32 | L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.47Å; L26-S30 PolarHBondContact O-OG 3.43Å; A27-S30 WeakPolarHBondContact CA-OG 3.45Å; A27-S30 PolarHBondContact O-N 3.38Å; A27-S30 PolarHBondContact O-OG 3Å; A27-S30 VanDerWaalsContact O-OG 3.08Å; S30-Q32 VanDerWaalsContact C-N 3.27Å; S30-Q32 PolarHBondContact O-N 3.35Å |
| 31 | R | 92.8 | Very high | 86.4 | Confident | 171 Ų | 171 | 76.7 Ų | 76.7 | 65% | 0.645 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.5 | 176.9 | -66.8 | 170.7 | 176.4 | -175.7 | 6.9 | 113.8 | A27 R29 Y33 | A27-R31 WeakPolarHBondContact O-CB 3.46Å; A27-R31 WeakPolarHBondContact O-CG 3.32Å; A27-R31 PolarHBondContact O-N 3.04Å; A27-R31 VanDerWaalsContact O-N 3.08Å; R29-R31 VanDerWaalsContact C-N 3.34Å; R29-R31 PolarHBondContact O-N 3.47Å; R31-Y33 VanDerWaalsContact C-N 3.33Å; R31-Y33 HydrophobicContact CB-CD2 3.65Å; R31-Y33 HydrophobicContact CB-CE2 3.44Å; R31-Y33 VanDerWaalsContact CB-CE2 3.44Å; R31-Y33 HydrophobicContact CG-CE2 4.13Å; R31-Y33 PolarHBondContact NH1-OH 3.03Å; R31-Y33 PolarHBondContact O-N 3.16Å |
| 32 | Q | 88.4 | Confident | 86 | Confident | 141 Ų | 141 | 81.9 Ų | 81.9 | 66% | 0.659 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 43.2 | 176 | -55.3 | -175.9 | -21.3 | 0 | 0 | 114.4 | V28 R29 S30 F34 A35 | V28-Q32 PolarHBondContact O-N 3.45Å; R29-Q32 PolarHBondContact O-N 2.8Å; R29-Q32 VanDerWaalsContact O-N 3.13Å; S30-Q32 VanDerWaalsContact C-N 3.27Å; S30-Q32 PolarHBondContact O-N 3.35Å; Q32-F34 PolarHBondContact O-N 3.26Å; Q32-A35 HydrophobicContact CB-CB 4.09Å; Q32-A35 VanDerWaalsContact O-CB 3.29Å; Q32-A35 WeakPolarHBondContact O-CB 3.5Å; Q32-A35 PolarHBondContact O-N 3.1Å |
| 33 | Y | 85.7 | Confident | 85.6 | Confident | 138 Ų | 138 | 82.3 Ų | 82.3 | 54% | 0.541 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -23.6 | -177.8 | -83.7 | -104.5 | 0 | 0 | 0 | 114.4 | V28 R31 | V28-Y33 HydrophobicContact CB-CD2 4.46Å; V28-Y33 HydrophobicContact CG1-CD2 4.4Å; V28-Y33 HydrophobicContact CG1-CG 4.47Å; V28-Y33 PolarHBondContact O-N 3.47Å; R31-Y33 VanDerWaalsContact C-N 3.33Å; R31-Y33 HydrophobicContact CB-CD2 3.65Å; R31-Y33 HydrophobicContact CB-CE2 3.44Å; R31-Y33 VanDerWaalsContact CB-CE2 3.44Å; R31-Y33 HydrophobicContact CG-CE2 4.13Å; R31-Y33 PolarHBondContact NH1-OH 3.03Å; R31-Y33 PolarHBondContact O-N 3.16Å |
| 34 | F | 85.7 | Confident | 85.2 | Confident | 47 Ų | 47 | 86.1 Ų | 86.1 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 16 | 179.5 | -61.8 | -73 | 0 | 0 | 0 | 114 | V28 Q32 S36 V37 K48 K49 Y52 | V28-F34 HydrophobicContact CG1-CD2 4.22Å; V28-F34 HydrophobicContact CG1-CE2 3.8Å; Q32-F34 PolarHBondContact O-N 3.26Å; F34-S36 VanDerWaalsContact C-N 3.34Å; F34-V37 HydrophobicContact CB-CG2 3.98Å; F34-V37 HydrophobicContact CD1-CG2 3.79Å; F34-V37 HydrophobicContact CG-CG2 4.4Å; F34-V37 PolarHBondContact O-N 3.13Å; F34-K48 HydrophobicContact CE1-CB 4.3Å; F34-K49 HydrophobicContact CB-CB 4.34Å; F34-K49 HydrophobicContact CB-CD 3.75Å; F34-K49 HydrophobicContact CB-CG 3.78Å; F34-K49 HydrophobicContact CD1-CB 3.92Å; F34-K49 HydrophobicContact CD1-CG 4.24Å; F34-K49 HydrophobicContact CD2-CG 4.18Å; F34-K49 HydrophobicContact CE1-CB 4.3Å; F34-K49 HydrophobicContact CG-CB 4.05Å; F34-K49 HydrophobicContact CG-CD 4.34Å; F34-K49 HydrophobicContact CG-CG 3.83Å; F34-Y52 HydrophobicContact CD2-CD1 4.07Å; F34-Y52 HydrophobicContact CD2-CE1 4.48Å; F34-Y52 HydrophobicContact CD2-CG 4.46Å; F34-Y52 AromaticContact CE2-CD1 3.65Å; F34-Y52 HydrophobicContact CE2-CD1 3.65Å; F34-Y52 HydrophobicContact CE2-CD2 4.21Å; F34-Y52 HydrophobicContact CE2-CE1 4.31Å; F34-Y52 AromaticContact CE2-CG 3.6Å; F34-Y52 HydrophobicContact CE2-CG 3.6Å; F34-Y52 HydrophobicContact CZ-CG 4.24Å |
| 35 | A | 81.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 81.8 Ų | 81.8 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -64 | -37.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q32 V37 | Q32-A35 HydrophobicContact CB-CB 4.09Å; Q32-A35 VanDerWaalsContact O-CB 3.29Å; Q32-A35 WeakPolarHBondContact O-CB 3.5Å; Q32-A35 PolarHBondContact O-N 3.1Å; A35-V37 VanDerWaalsContact C-N 3.29Å; A35-V37 PolarHBondContact O-N 3Å |
| 36 | S | 78.1 | Confident | 84.5 | Confident | 59 Ų | 59 | 81 Ų | 81 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -16 | -179.5 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | F34 E38 A39 E40 | F34-S36 VanDerWaalsContact C-N 3.34Å; S36-E38 PolarHBondContact O-N 3.35Å; S36-A39 WeakPolarHBondContact O-CB 3.17Å; S36-A39 PolarHBondContact O-N 3.36Å; S36-E40 WeakPolarHBondContact CB-OE1 3.39Å; S36-E40 PolarHBondContact O-N 3.44Å; S36-E40 VanDerWaalsContact O-N 3.09Å; S36-E40 PolarHBondContact OG-OE1 3.1Å |
| 37 | V | 77.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 78.8 Ų | 78.8 | 6% | 0.055 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.6 | -35.6 | -175.3 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | F34 A35 A39 L45 A46 | F34-V37 HydrophobicContact CB-CG2 3.98Å; F34-V37 HydrophobicContact CD1-CG2 3.79Å; F34-V37 HydrophobicContact CG-CG2 4.4Å; F34-V37 PolarHBondContact O-N 3.13Å; A35-V37 VanDerWaalsContact C-N 3.29Å; A35-V37 PolarHBondContact O-N 3Å; V37-A39 VanDerWaalsContact C-N 3.25Å; V37-A39 PolarHBondContact O-N 3.48Å; V37-L45 HydrophobicContact CB-CB 4.38Å; V37-L45 HydrophobicContact CG1-CB 3.74Å; V37-L45 HydrophobicContact CG2-CB 4Å; V37-A46 HydrophobicContact CG1-CB 4.33Å |
| 38 | E | 69.2 | Low | 84 | Confident | 129 Ų | 129 | 82.7 Ų | 82.7 | 60% | 0.603 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.2 | -30.3 | 179 | -73.3 | 164.5 | -150.7 | 0 | 0 | 111.7 | S36 K49 | S36-E38 PolarHBondContact O-N 3.35Å; E38-K49 IonicContact OE1-NZ 3.75Å; E38-K49 PolarHBondContact OE1-NZ 3.1Å |
| 39 | A | 72.4 | Confident | 83.9 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 74% | 0.744 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -83.3 | -31.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S36 V37 D41 | S36-A39 WeakPolarHBondContact O-CB 3.17Å; S36-A39 PolarHBondContact O-N 3.36Å; V37-A39 VanDerWaalsContact C-N 3.25Å; V37-A39 PolarHBondContact O-N 3.48Å; A39-D41 VanDerWaalsContact C-N 3.33Å; A39-D41 PolarHBondContact O-N 3.39Å |
| 40 | E | 75.8 | Confident | 83.9 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -81.1 | -8.9 | -172.2 | -74.5 | 176.5 | -136.3 | 0 | 0 | 114.7 | S36 R42 L45 | S36-E40 WeakPolarHBondContact CB-OE1 3.39Å; S36-E40 PolarHBondContact O-N 3.44Å; S36-E40 VanDerWaalsContact O-N 3.09Å; S36-E40 PolarHBondContact OG-OE1 3.1Å; E40-R42 WeakPolarHBondContact O-CG 3.45Å; E40-R42 PolarHBondContact O-N 3.16Å; E40-L45 HydrophobicContact CB-CD1 3.98Å; E40-L45 WeakPolarHBondContact OE2-CD1 3.15Å |
| 41 | D | 75.2 | Confident | 84 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | trans | 46.2 | 34 | 179.2 | -155.3 | 13 | 0 | 0 | 0 | 116.8 | A39 K86 Y87 | A39-D41 VanDerWaalsContact C-N 3.33Å; A39-D41 PolarHBondContact O-N 3.39Å; D41-K86 VanDerWaalsContact CG-CE 3.5Å; D41-K86 WeakPolarHBondContact OD1-CD 3.48Å; D41-K86 WeakPolarHBondContact OD1-CE 3.39Å; D41-K86 IonicContact OD1-NZ 3.08Å; D41-K86 PolarHBondContact OD1-NZ 3.18Å; D41-K86 IonicContact OD2-NZ 2.67Å; D41-Y87 WeakPolarHBondContact OD1-CE1 3.5Å; D41-Y87 PolarHBondContact OD1-OH 3.1Å | ||
| 42 | R | 82.7 | Confident | 84.1 | Confident | 161 Ų | 161 | 73.2 Ų | 73.2 | 61% | 0.608 | 37% | 0.367 | S | S | * | . | trans | -103.6 | 117.3 | 176.4 | -69.9 | 172 | -176.3 | -168.7 | 0.1 | 110.5 | E40 E44 L45 A46 | E40-R42 WeakPolarHBondContact O-CG 3.45Å; E40-R42 PolarHBondContact O-N 3.16Å; R42-E44 PolarHBondContact O-N 2.98Å; R42-L45 HydrophobicContact CB-CB 4.38Å; R42-L45 HydrophobicContact CB-CD1 4.04Å; R42-L45 HydrophobicContact CB-CG 4.05Å; R42-L45 PolarHBondContact O-N 2.93Å; R42-A46 PolarHBondContact O-N 3.3Å | ||
| 43 | S | 85 | Confident | 84.3 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.9 | -36.2 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | L45 A46 L47 | S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.12Å; S43-A46 PolarHBondContact O-N 3.42Å; S43-L47 WeakPolarHBondContact O-CG 3.28Å; S43-L47 PolarHBondContact O-N 3.46Å |
| 44 | E | 86 | Confident | 84.7 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.1 | -37.8 | 176.7 | -64 | -177.1 | -177.1 | 0 | 0 | 113.4 | R42 K48 | R42-E44 PolarHBondContact O-N 2.98Å; E44-K48 WeakPolarHBondContact O-CG 3.12Å; E44-K48 PolarHBondContact O-N 2.93Å |
| 45 | L | 87.2 | Confident | 85 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 19% | 0.194 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.1 | -38.7 | 178.8 | -67.3 | 178.8 | 0 | 0 | 0 | 111 | V37 E40 R42 S43 L47 K48 K49 | V37-L45 HydrophobicContact CB-CB 4.38Å; V37-L45 HydrophobicContact CG1-CB 3.74Å; V37-L45 HydrophobicContact CG2-CB 4Å; E40-L45 HydrophobicContact CB-CD1 3.98Å; E40-L45 WeakPolarHBondContact OE2-CD1 3.15Å; R42-L45 HydrophobicContact CB-CB 4.38Å; R42-L45 HydrophobicContact CB-CD1 4.04Å; R42-L45 HydrophobicContact CB-CG 4.05Å; R42-L45 PolarHBondContact O-N 2.93Å; S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.12Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-K48 HydrophobicContact CD2-CD 4.31Å; L45-K48 WeakPolarHBondContact O-CB 3.47Å; L45-K48 PolarHBondContact O-N 3.15Å; L45-K49 PolarHBondContact O-N 3.48Å |
| 46 | A | 87.4 | Confident | 85.6 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V37 R42 S43 K48 K49 L50 Y83 Y87 | V37-A46 HydrophobicContact CG1-CB 4.33Å; R42-A46 PolarHBondContact O-N 3.3Å; S43-A46 PolarHBondContact O-N 3.42Å; A46-K48 VanDerWaalsContact C-N 3.34Å; A46-K48 PolarHBondContact O-N 3.23Å; A46-K49 WeakPolarHBondContact O-CB 3.34Å; A46-K49 PolarHBondContact O-N 3.1Å; A46-K49 VanDerWaalsContact O-N 3.14Å; A46-L50 WeakPolarHBondContact O-CG 3.5Å; A46-L50 PolarHBondContact O-N 2.94Å; A46-Y83 HydrophobicContact CB-CD2 3.74Å; A46-Y83 HydrophobicContact CB-CE2 4.27Å; A46-Y87 HydrophobicContact CB-CE2 4.06Å |
| 47 | L | 88.5 | Confident | 86.4 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 173.8 | -75.9 | 172.9 | 0 | 0 | 0 | 112.5 | S43 L45 L50 R51 Y83 W95 | S43-L47 WeakPolarHBondContact O-CG 3.28Å; S43-L47 PolarHBondContact O-N 3.46Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L47-L50 PolarHBondContact O-N 3.13Å; L47-R51 VanDerWaalsContact O-CB 3.29Å; L47-R51 WeakPolarHBondContact O-CB 3Å; L47-R51 VanDerWaalsContact O-CG 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.36Å; L47-R51 PolarHBondContact O-N 2.94Å; L47-Y83 HydrophobicContact CD2-CE1 4.17Å; L47-Y83 HydrophobicContact CD2-CE2 3.97Å; L47-Y83 HydrophobicContact CG-CE2 3.8Å; L47-W95 HydrophobicContact CD2-CZ2 3.84Å |
| 48 | K | 90.2 | Very high | 87.1 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 173.1 | -75.5 | 174.8 | -175.3 | 174.1 | 0 | 111.5 | F34 E44 L45 A46 R51 Y52 | F34-K48 HydrophobicContact CE1-CB 4.3Å; E44-K48 WeakPolarHBondContact O-CG 3.12Å; E44-K48 PolarHBondContact O-N 2.93Å; L45-K48 HydrophobicContact CD2-CD 4.31Å; L45-K48 WeakPolarHBondContact O-CB 3.47Å; L45-K48 PolarHBondContact O-N 3.15Å; A46-K48 VanDerWaalsContact C-N 3.34Å; A46-K48 PolarHBondContact O-N 3.23Å; K48-R51 PolarHBondContact O-N 2.96Å; K48-Y52 WeakPolarHBondContact O-CB 3.35Å; K48-Y52 PolarHBondContact O-N 2.96Å |
| 49 | K | 91.5 | Very high | 88.2 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 176.6 | -170.4 | 179.9 | -174.5 | 173.1 | 0 | 111.7 | F34 E38 L45 A46 Y52 H53 L79 | F34-K49 HydrophobicContact CB-CB 4.34Å; F34-K49 HydrophobicContact CB-CD 3.75Å; F34-K49 HydrophobicContact CB-CG 3.78Å; F34-K49 HydrophobicContact CD1-CB 3.92Å; F34-K49 HydrophobicContact CD1-CG 4.24Å; F34-K49 HydrophobicContact CD2-CG 4.18Å; F34-K49 HydrophobicContact CE1-CB 4.3Å; F34-K49 HydrophobicContact CG-CB 4.05Å; F34-K49 HydrophobicContact CG-CD 4.34Å; F34-K49 HydrophobicContact CG-CG 3.83Å; E38-K49 IonicContact OE1-NZ 3.75Å; E38-K49 PolarHBondContact OE1-NZ 3.1Å; L45-K49 PolarHBondContact O-N 3.48Å; A46-K49 WeakPolarHBondContact O-CB 3.34Å; A46-K49 PolarHBondContact O-N 3.1Å; A46-K49 VanDerWaalsContact O-N 3.14Å; K49-Y52 WeakPolarHBondContact O-CB 3.17Å; K49-Y52 PolarHBondContact O-N 2.91Å; K49-H53 PolarHBondContact O-N 3.23Å; K49-H53 VanDerWaalsContact O-N 3.11Å; K49-H53 PolarHBondContact O-ND1 2.86Å; K49-L79 HydrophobicContact CD-CD1 4.28Å; K49-L79 HydrophobicContact CD-CD2 4.04Å; K49-L79 HydrophobicContact CG-CD1 4.25Å |
| 50 | L | 91.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 175.9 | -71.5 | 176.1 | 0 | 0 | 0 | 112.2 | A46 L47 Y52 H53 A54 M76 L79 V80 Y83 W95 | A46-L50 WeakPolarHBondContact O-CG 3.5Å; A46-L50 PolarHBondContact O-N 2.94Å; L47-L50 PolarHBondContact O-N 3.13Å; L50-Y52 VanDerWaalsContact C-N 3.27Å; L50-Y52 PolarHBondContact O-N 3.33Å; L50-H53 PolarHBondContact O-N 3.49Å; L50-H53 VanDerWaalsContact O-N 3.13Å; L50-A54 PolarHBondContact O-N 3.44Å; L50-M76 HydrophobicContact CD2-CG 4.47Å; L50-L79 HydrophobicContact CD2-CB 3.62Å; L50-V80 HydrophobicContact CD1-CG2 4.35Å; L50-V80 HydrophobicContact CD2-CG2 3.62Å; L50-Y83 HydrophobicContact CD1-CD1 4.19Å; L50-Y83 HydrophobicContact CD1-CD2 4.38Å; L50-Y83 HydrophobicContact CD1-CG 3.96Å; L50-W95 HydrophobicContact CB-CH2 3.52Å; L50-W95 HydrophobicContact CB-CZ2 3.82Å; L50-W95 HydrophobicContact CB-CZ3 3.94Å; L50-W95 HydrophobicContact CD1-CD2 4.11Å; L50-W95 HydrophobicContact CD1-CE3 4.49Å; L50-W95 HydrophobicContact CD1-CH2 4.4Å; L50-W95 HydrophobicContact CD1-CZ2 4Å |
| 51 | R | 91.4 | Very high | 89.9 | Confident | 101 Ų | 101 | 43.8 Ų | 43.8 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -34.4 | 176.5 | -81.1 | 179.2 | -168.8 | 169.3 | 6.8 | 113 | L2 L47 K48 R55 W95 | L2-R51 HydrophobicContact CD2-CG 4.45Å; L47-R51 VanDerWaalsContact O-CB 3.29Å; L47-R51 WeakPolarHBondContact O-CB 3Å; L47-R51 VanDerWaalsContact O-CG 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.36Å; L47-R51 PolarHBondContact O-N 2.94Å; K48-R51 PolarHBondContact O-N 2.96Å; R51-R55 WeakPolarHBondContact O-CG 3.38Å; R51-R55 PolarHBondContact O-N 3.09Å; R51-R55 PolarHBondContact O-NH1 3.44Å; R51-R55 VanDerWaalsContact O-NH1 3.08Å; R51-W95 HydrophobicContact CG-CH2 4.26Å |
| 52 | Y | 94.1 | Very high | 90.6 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -49 | 171.5 | 155.8 | -99.3 | 0 | 0 | 0 | 111.2 | Y25 V28 R29 F34 K48 K49 L50 A54 R55 F56 | Y25-Y52 AromaticContact CD1-CD2 3.75Å; Y25-Y52 HydrophobicContact CD1-CD2 3.75Å; Y25-Y52 AromaticContact CD1-CE2 3.55Å; Y25-Y52 HydrophobicContact CD1-CE2 3.55Å; Y25-Y52 HydrophobicContact CE1-CD2 4.09Å; Y25-Y52 HydrophobicContact CE1-CE2 4.34Å; Y25-Y52 HydrophobicContact CG-CD2 4.5Å; Y25-Y52 AromaticContact CG-CE2 3.99Å; Y25-Y52 HydrophobicContact CG-CE2 3.99Å; Y25-Y52 PolarHBondContact O-OH 2.92Å; V28-Y52 HydrophobicContact CB-CE2 3.91Å; V28-Y52 HydrophobicContact CG1-CD2 4.08Å; V28-Y52 HydrophobicContact CG1-CE1 4.49Å; V28-Y52 HydrophobicContact CG1-CE2 3.64Å; R29-Y52 WeakPolarHBondContact CB-OH 3.38Å; F34-Y52 HydrophobicContact CD2-CD1 4.07Å; F34-Y52 HydrophobicContact CD2-CE1 4.48Å; F34-Y52 HydrophobicContact CD2-CG 4.46Å; F34-Y52 AromaticContact CE2-CD1 3.65Å; F34-Y52 HydrophobicContact CE2-CD1 3.65Å; F34-Y52 HydrophobicContact CE2-CD2 4.21Å; F34-Y52 HydrophobicContact CE2-CE1 4.31Å; F34-Y52 AromaticContact CE2-CG 3.6Å; F34-Y52 HydrophobicContact CE2-CG 3.6Å; F34-Y52 HydrophobicContact CZ-CG 4.24Å; K48-Y52 WeakPolarHBondContact O-CB 3.35Å; K48-Y52 PolarHBondContact O-N 2.96Å; K49-Y52 WeakPolarHBondContact O-CB 3.17Å; K49-Y52 PolarHBondContact O-N 2.91Å; L50-Y52 VanDerWaalsContact C-N 3.27Å; L50-Y52 PolarHBondContact O-N 3.33Å; Y52-A54 PolarHBondContact O-N 2.85Å; Y52-R55 PolarHBondContact O-N 2.91Å; Y52-F56 HydrophobicContact CE2-CB 4.48Å; Y52-F56 HydrophobicContact CE2-CD1 4.39Å; Y52-F56 AromaticContact CZ-CD1 3.93Å; Y52-F56 WeakPolarHBondContact O-CB 3.11Å; Y52-F56 PolarHBondContact O-N 2.68Å; Y52-F56 WeakPolarHBondContact OH-CD1 3.39Å |
| 53 | H | 94.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.06 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 178.3 | -79.3 | 75.4 | 0 | 0 | 0 | 111.7 | K49 L50 R55 F56 I57 E75 M76 L79 | K49-H53 PolarHBondContact O-N 3.23Å; K49-H53 VanDerWaalsContact O-N 3.11Å; K49-H53 PolarHBondContact O-ND1 2.86Å; L50-H53 PolarHBondContact O-N 3.49Å; L50-H53 VanDerWaalsContact O-N 3.13Å; H53-R55 PolarHBondContact O-N 3.33Å; H53-F56 PolarHBondContact O-N 3.4Å; H53-I57 VanDerWaalsContact O-CG1 3.25Å; H53-I57 WeakPolarHBondContact O-CG1 3.33Å; H53-I57 PolarHBondContact O-N 3.35Å; H53-E75 IonicContact NE2-OE2 2.71Å; H53-M76 HydrophobicContact CB-CB 4.21Å; H53-M76 HydrophobicContact CB-CG 4.14Å; H53-M76 HydrophobicContact CB-SD 4.17Å; H53-L79 WeakPolarHBondContact CE1-CD1 3.05Å |
| 54 | A | 93.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.033 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L50 Y52 F56 I57 V58 M76 | L50-A54 PolarHBondContact O-N 3.44Å; Y52-A54 PolarHBondContact O-N 2.85Å; A54-F56 PolarHBondContact O-N 3.33Å; A54-I57 PolarHBondContact O-N 3.27Å; A54-V58 WeakPolarHBondContact O-CG2 3.15Å; A54-V58 PolarHBondContact O-N 3.4Å; A54-M76 HydrophobicContact CB-CE 4.08Å; A54-M76 HydrophobicContact CB-SD 4.45Å |
| 55 | R | 92.5 | Very high | 91.3 | Very high | 93 Ų | 93 | 28 Ų | 28 | 35% | 0.351 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.9 | -72.9 | 173.8 | 175.1 | 72.7 | 1.5 | 112.3 | Y25 R51 Y52 H53 I57 V58 V59 | Y25-R55 HydrophobicContact CE2-CB 4.12Å; Y25-R55 WeakPolarHBondContact OH-CB 3.47Å; R51-R55 WeakPolarHBondContact O-CG 3.38Å; R51-R55 PolarHBondContact O-N 3.09Å; R51-R55 PolarHBondContact O-NH1 3.44Å; R51-R55 VanDerWaalsContact O-NH1 3.08Å; Y52-R55 PolarHBondContact O-N 2.91Å; H53-R55 PolarHBondContact O-N 3.33Å; R55-I57 VanDerWaalsContact C-N 3.33Å; R55-I57 PolarHBondContact O-N 3.38Å; R55-V58 PolarHBondContact O-N 2.76Å; R55-V59 PolarHBondContact O-N 2.92Å; R55-V59 VanDerWaalsContact O-N 3.09Å |
| 56 | F | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.3 | -36.6 | -180 | -169.2 | -166.8 | 0 | 0 | 0 | 111.8 | Y22 Y25 L26 Y52 H53 A54 V59 C60 Q68 L72 | Y22-F56 AromaticContact CD2-CE2 3.67Å; Y22-F56 HydrophobicContact CD2-CE2 3.67Å; Y22-F56 HydrophobicContact CD2-CZ 4.43Å; Y22-F56 AromaticContact CE2-CE2 3.82Å; Y22-F56 HydrophobicContact CE2-CE2 3.82Å; Y22-F56 HydrophobicContact CE2-CZ 4.2Å; Y25-F56 VanDerWaalsContact CB-CD2 3.42Å; Y25-F56 HydrophobicContact CD2-CB 3.89Å; Y25-F56 AromaticContact CD2-CD2 3.67Å; Y25-F56 HydrophobicContact CD2-CD2 3.67Å; Y25-F56 HydrophobicContact CD2-CE2 4.49Å; Y25-F56 AromaticContact CD2-CG 4Å; Y25-F56 HydrophobicContact CD2-CG 4Å; Y25-F56 HydrophobicContact CE2-CB 4.47Å; Y25-F56 HydrophobicContact CG-CB 4.11Å; Y25-F56 AromaticContact CG-CD2 3.95Å; Y25-F56 HydrophobicContact CG-CD2 3.95Å; Y25-F56 HydrophobicContact CG-CG 4.04Å; L26-F56 HydrophobicContact CB-CZ 4.5Å; L26-F56 HydrophobicContact CD1-CZ 4.39Å; Y52-F56 HydrophobicContact CE2-CB 4.48Å; Y52-F56 HydrophobicContact CE2-CD1 4.39Å; Y52-F56 AromaticContact CZ-CD1 3.93Å; Y52-F56 WeakPolarHBondContact O-CB 3.11Å; Y52-F56 PolarHBondContact O-N 2.68Å; Y52-F56 WeakPolarHBondContact OH-CD1 3.39Å; H53-F56 PolarHBondContact O-N 3.4Å; A54-F56 PolarHBondContact O-N 3.33Å; F56-V59 PolarHBondContact O-N 2.79Å; F56-C60 VanDerWaalsContact CE2-SG 3.52Å; F56-C60 PolarHBondContact O-N 3.13Å; F56-C60 PolarHBondContact O-SG 3.01Å; F56-Q68 HydrophobicContact CZ-CG 4.42Å; F56-L72 HydrophobicContact CB-CD1 4.19Å; F56-L72 HydrophobicContact CD1-CD1 3.49Å; F56-L72 VanDerWaalsContact CD1-CD1 3.49Å; F56-L72 HydrophobicContact CD1-CD2 3.55Å; F56-L72 HydrophobicContact CD1-CG 4.18Å; F56-L72 HydrophobicContact CD2-CD1 4.16Å; F56-L72 HydrophobicContact CE1-CD1 3.86Å; F56-L72 HydrophobicContact CE1-CD2 3.97Å; F56-L72 HydrophobicContact CE1-CG 4.47Å; F56-L72 HydrophobicContact CE2-CD1 4.47Å; F56-L72 HydrophobicContact CG-CD1 3.66Å; F56-L72 HydrophobicContact CG-CD2 4.39Å; F56-L72 HydrophobicContact CZ-CD1 4.33Å |
| 57 | I | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 173 | -66.9 | 161 | 0 | 0 | 0 | 110.3 | H53 A54 R55 V59 C60 L61 L72 I73 M76 V102 F161 | H53-I57 VanDerWaalsContact O-CG1 3.25Å; H53-I57 WeakPolarHBondContact O-CG1 3.33Å; H53-I57 PolarHBondContact O-N 3.35Å; A54-I57 PolarHBondContact O-N 3.27Å; R55-I57 VanDerWaalsContact C-N 3.33Å; R55-I57 PolarHBondContact O-N 3.38Å; I57-V59 VanDerWaalsContact C-N 3.31Å; I57-V59 PolarHBondContact O-N 3.44Å; I57-C60 WeakPolarHBondContact O-CB 3.46Å; I57-C60 PolarHBondContact O-N 3.4Å; I57-C60 VanDerWaalsContact O-N 3.1Å; I57-L61 HydrophobicContact CG2-CD1 4Å; I57-L61 HydrophobicContact CG2-CG 4.16Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 2.97Å; I57-L72 HydrophobicContact CD1-CB 4.18Å; I57-L72 HydrophobicContact CG1-CB 3.55Å; I57-L72 HydrophobicContact CG1-CD1 4.24Å; I57-I73 HydrophobicContact CD1-CG1 3.83Å; I57-I73 HydrophobicContact CG1-CG1 4.24Å; I57-I73 HydrophobicContact CG2-CD1 4.34Å; I57-I73 HydrophobicContact CG2-CG1 4.15Å; I57-M76 HydrophobicContact CD1-CB 4.36Å; I57-M76 HydrophobicContact CD1-SD 3.6Å; I57-M76 VanDerWaalsContact CD1-SD 3.6Å; I57-V102 HydrophobicContact CG2-CG2 3.75Å; I57-F161 HydrophobicContact CG2-CE1 4.02Å; I57-F161 HydrophobicContact CG2-CZ 4.27Å |
| 58 | V | 92.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 11% | 0.109 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.1 | -47 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | A54 R55 C60 L61 L62 F161 F164 | A54-V58 WeakPolarHBondContact O-CG2 3.15Å; A54-V58 PolarHBondContact O-N 3.4Å; R55-V58 PolarHBondContact O-N 2.76Å; V58-C60 PolarHBondContact O-N 2.54Å; V58-L61 PolarHBondContact O-N 3.27Å; V58-L62 HydrophobicContact CG1-CD1 3.94Å; V58-L62 HydrophobicContact CG1-CG 4.33Å; V58-L62 WeakPolarHBondContact O-CG 3.29Å; V58-L62 PolarHBondContact O-N 3.12Å; V58-F161 HydrophobicContact CG2-CD1 4.29Å; V58-F161 HydrophobicContact CG2-CE1 3.55Å; V58-F161 HydrophobicContact CG2-CZ 4.13Å; V58-F164 HydrophobicContact CG1-CE1 4.14Å |
| 59 | V | 92 | Very high | 92.2 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 7% | 0.067 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | L18 T21 Y22 Y25 R55 F56 I57 L61 L62 L63 | L18-V59 HydrophobicContact CD1-CB 4.22Å; L18-V59 HydrophobicContact CD1-CG1 3.86Å; L18-V59 HydrophobicContact CD1-CG2 3.99Å; L18-V59 HydrophobicContact CG-CG1 4.32Å; T21-V59 HydrophobicContact CG2-CG2 3.84Å; Y22-V59 HydrophobicContact CD2-CG1 4.34Å; Y25-V59 HydrophobicContact CD2-CB 4.41Å; Y25-V59 HydrophobicContact CD2-CG2 4.13Å; Y25-V59 HydrophobicContact CE2-CG2 3.78Å; R55-V59 PolarHBondContact O-N 2.92Å; R55-V59 VanDerWaalsContact O-N 3.09Å; F56-V59 PolarHBondContact O-N 2.79Å; I57-V59 VanDerWaalsContact C-N 3.31Å; I57-V59 PolarHBondContact O-N 3.44Å; V59-L61 PolarHBondContact O-N 2.89Å; V59-L62 PolarHBondContact O-N 2.97Å; V59-L63 HydrophobicContact CG1-CD1 4Å; V59-L63 WeakPolarHBondContact O-CB 3.06Å; V59-L63 PolarHBondContact O-N 3.37Å |
| 60 | C | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 177.2 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | F56 I57 V58 K64 K65 A69 | F56-C60 VanDerWaalsContact CE2-SG 3.52Å; F56-C60 PolarHBondContact O-N 3.13Å; F56-C60 PolarHBondContact O-SG 3.01Å; I57-C60 WeakPolarHBondContact O-CB 3.46Å; I57-C60 PolarHBondContact O-N 3.4Å; I57-C60 VanDerWaalsContact O-N 3.1Å; V58-C60 PolarHBondContact O-N 2.54Å; C60-K64 CarbonylContact O-C 3.57Å; C60-K64 PolarHBondContact O-N 2.85Å; C60-K65 HydrophobicContact CB-CB 4.46Å; C60-K65 PolarHBondContact O-N 3.09Å; C60-A69 HydrophobicContact CB-CB 3.87Å |
| 61 | L | 91.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -50.4 | 175 | -67.7 | 175.5 | 0 | 0 | 0 | 110.2 | I57 V58 V59 L63 K64 M66 A69 F105 V106 F161 Y169 | I57-L61 HydrophobicContact CG2-CD1 4Å; I57-L61 HydrophobicContact CG2-CG 4.16Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 2.97Å; V58-L61 PolarHBondContact O-N 3.27Å; V59-L61 PolarHBondContact O-N 2.89Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 3.38Å; L61-K64 WeakPolarHBondContact O-CA 3.21Å; L61-K64 PolarHBondContact O-N 3.3Å; L61-M66 HydrophobicContact CD2-CE 4.1Å; L61-M66 HydrophobicContact CD2-SD 3.67Å; L61-A69 HydrophobicContact CD2-CB 4.04Å; L61-F105 HydrophobicContact CD1-CD1 4.34Å; L61-V106 HydrophobicContact CD2-CG2 3.85Å; L61-F161 HydrophobicContact CD1-CD1 3.72Å; L61-F161 HydrophobicContact CD1-CE1 3.84Å; L61-Y169 HydrophobicContact CB-CE2 4.37Å; L61-Y169 WeakPolarHBondContact O-CE2 3.36Å; L61-Y169 PolarHBondContact O-OH 2.89Å |
| 62 | L | 89.5 | Confident | 92.8 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 10% | 0.099 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | -179.9 | -68.3 | 175 | 0 | 0 | 0 | 112.4 | L18 V58 V59 K64 R127 Y169 L172 Q173 | L18-L62 HydrophobicContact CD1-CB 4.25Å; L18-L62 HydrophobicContact CD1-CD1 4.1Å; L18-L62 HydrophobicContact CD2-CB 3.49Å; L18-L62 VanDerWaalsContact CD2-CB 3.49Å; L18-L62 HydrophobicContact CD2-CD1 4.48Å; L18-L62 HydrophobicContact CG-CB 4.47Å; V58-L62 HydrophobicContact CG1-CD1 3.94Å; V58-L62 HydrophobicContact CG1-CG 4.33Å; V58-L62 WeakPolarHBondContact O-CG 3.29Å; V58-L62 PolarHBondContact O-N 3.12Å; V59-L62 PolarHBondContact O-N 2.97Å; L62-K64 VanDerWaalsContact C-N 3.27Å; L62-K64 PolarHBondContact O-N 3.05Å; L62-R127 PolarHBondContact O-NH2 3.36Å; L62-Y169 HydrophobicContact CD2-CD2 4.34Å; L62-L172 HydrophobicContact CD2-CD1 3.97Å; L62-Q173 PolarHBondContact O-NE2 3.38Å |
| 63 | L | 88.9 | Confident | 92.9 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 3.5 | 172.7 | -67.9 | 173.9 | 0 | 0 | 0 | 114.3 | T15 L18 M19 Y22 V59 L61 K65 I179 | T15-L63 HydrophobicContact CG2-CD2 4.25Å; L18-L63 HydrophobicContact CB-CD2 4.14Å; L18-L63 HydrophobicContact CD2-CD2 3.47Å; L18-L63 VanDerWaalsContact CD2-CD2 3.47Å; L18-L63 HydrophobicContact CD2-CG 3.58Å; L18-L63 HydrophobicContact CG-CD1 4.15Å; L18-L63 HydrophobicContact CG-CD2 3.69Å; L18-L63 HydrophobicContact CG-CG 3.65Å; M19-L63 HydrophobicContact CG-CD2 4.05Å; M19-L63 HydrophobicContact SD-CD1 3.69Å; M19-L63 HydrophobicContact SD-CD2 3.62Å; M19-L63 HydrophobicContact SD-CG 4.27Å; Y22-L63 VanDerWaalsContact CB-CD1 3.44Å; Y22-L63 HydrophobicContact CD2-CD1 3.96Å; Y22-L63 HydrophobicContact CG-CD1 3.75Å; V59-L63 HydrophobicContact CG1-CD1 4Å; V59-L63 WeakPolarHBondContact O-CB 3.06Å; V59-L63 PolarHBondContact O-N 3.37Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 3.38Å; L63-K65 HydrophobicContact CB-CG 3.97Å; L63-K65 PolarHBondContact O-N 2.84Å; L63-I179 HydrophobicContact CD2-CD1 3.97Å |
| 64 | K | 88.8 | Confident | 93 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 25.1 | -176.9 | -157.8 | 151.5 | -172.3 | 176.3 | 0 | 114.4 | C60 L61 L62 M66 M123 V124 H126 | C60-K64 CarbonylContact O-C 3.57Å; C60-K64 PolarHBondContact O-N 2.85Å; L61-K64 WeakPolarHBondContact O-CA 3.21Å; L61-K64 PolarHBondContact O-N 3.3Å; L62-K64 VanDerWaalsContact C-N 3.27Å; L62-K64 PolarHBondContact O-N 3.05Å; K64-M66 HydrophobicContact CG-CG 4.35Å; K64-M66 PolarHBondContact O-N 3.46Å; K64-M123 HydrophobicContact CD-CE 4.18Å; K64-M123 HydrophobicContact CG-CE 3.67Å; K64-V124 VanDerWaalsContact CE-O 3.23Å; K64-V124 WeakPolarHBondContact CE-O 3.41Å; K64-V124 PolarHBondContact NZ-O 2.91Å; K64-H126 PolarHBondContact NZ-CD2 2.85Å; K64-H126 PolarHBondContact NZ-NE2 3.35Å |
| 65 | K | 90.5 | Very high | 93.1 | Very high | 55 Ų | 55 | 37 Ų | 37 | 24% | 0.239 | 16% | 0.159 | C | C | . | . | trans | -78.7 | 62.5 | 173 | -58.7 | -62.1 | -173.2 | -169.7 | 0 | 110.3 | Y22 C60 L63 K67 Q68 A69 D182 | Y22-K65 HydrophobicContact CE2-CG 4.34Å; C60-K65 HydrophobicContact CB-CB 4.46Å; C60-K65 PolarHBondContact O-N 3.09Å; L63-K65 HydrophobicContact CB-CG 3.97Å; L63-K65 PolarHBondContact O-N 2.84Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.96Å; K65-Q68 HydrophobicContact CB-CB 4.34Å; K65-Q68 WeakPolarHBondContact O-CB 3.35Å; K65-Q68 PolarHBondContact O-N 2.63Å; K65-Q68 VanDerWaalsContact O-N 3.11Å; K65-A69 PolarHBondContact O-N 3.32Å; K65-D182 IonicContact NZ-OD1 2.67Å | ||
| 66 | M | 91 | Very high | 93.2 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.034 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -29.7 | -167.9 | -66.4 | -59.6 | -83.3 | 0 | 0 | 114.8 | L61 K64 A69 R70 V106 M123 | L61-M66 HydrophobicContact CD2-CE 4.1Å; L61-M66 HydrophobicContact CD2-SD 3.67Å; K64-M66 HydrophobicContact CG-CG 4.35Å; K64-M66 PolarHBondContact O-N 3.46Å; M66-A69 PolarHBondContact O-N 3.08Å; M66-R70 WeakPolarHBondContact O-CB 3.25Å; M66-R70 WeakPolarHBondContact O-CG 3.22Å; M66-R70 PolarHBondContact O-N 3.16Å; M66-V106 HydrophobicContact CE-CB 4.49Å; M66-V106 HydrophobicContact CE-CG1 3.87Å; M66-V106 HydrophobicContact CE-CG2 4.26Å; M66-M123 HydrophobicContact CB-CE 3.96Å; M66-M123 HydrophobicContact CB-CG 4.38Å; M66-M123 HydrophobicContact CB-SD 3.62Å; M66-M123 HydrophobicContact CG-CE 3.28Å; M66-M123 HydrophobicContact CG-SD 3.65Å |
| 67 | K | 91.4 | Very high | 93.2 | Very high | 154 Ų | 154 | 33.5 Ų | 33.5 | 67% | 0.67 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -60.5 | -50 | 173 | -177.1 | 177.2 | 172.8 | 179 | 0 | 110.4 | K65 A69 R70 D71 | K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.96Å; K67-A69 VanDerWaalsContact C-N 3.35Å; K67-A69 PolarHBondContact O-N 3.08Å; K67-R70 PolarHBondContact O-N 2.88Å; K67-D71 VanDerWaalsContact O-CG 3.27Å; K67-D71 PolarHBondContact O-N 2.76Å |
| 68 | Q | 93.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 177.4 | -168.8 | 65.1 | 48.5 | 0 | 0 | 111.6 | Y22 F56 K65 R70 D71 L72 | Y22-Q68 HydrophobicContact CE2-CG 4.5Å; F56-Q68 HydrophobicContact CZ-CG 4.42Å; K65-Q68 HydrophobicContact CB-CB 4.34Å; K65-Q68 WeakPolarHBondContact O-CB 3.35Å; K65-Q68 PolarHBondContact O-N 2.63Å; K65-Q68 VanDerWaalsContact O-N 3.11Å; Q68-R70 PolarHBondContact O-N 3.33Å; Q68-D71 PolarHBondContact O-N 3.2Å; Q68-L72 HydrophobicContact CG-CD1 4.06Å; Q68-L72 WeakPolarHBondContact O-CB 3.44Å; Q68-L72 VanDerWaalsContact O-CG 3.29Å; Q68-L72 WeakPolarHBondContact O-CG 3.45Å; Q68-L72 PolarHBondContact O-N 3.3Å |
| 69 | A | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C60 L61 K65 M66 K67 D71 L72 I73 | C60-A69 HydrophobicContact CB-CB 3.87Å; L61-A69 HydrophobicContact CD2-CB 4.04Å; K65-A69 PolarHBondContact O-N 3.32Å; M66-A69 PolarHBondContact O-N 3.08Å; K67-A69 VanDerWaalsContact C-N 3.35Å; K67-A69 PolarHBondContact O-N 3.08Å; A69-D71 VanDerWaalsContact C-N 3.34Å; A69-D71 PolarHBondContact O-N 3.21Å; A69-L72 PolarHBondContact O-N 3.49Å; A69-I73 WeakPolarHBondContact O-CD1 3.33Å; A69-I73 WeakPolarHBondContact O-CG1 3.34Å; A69-I73 PolarHBondContact O-N 2.86Å |
| 70 | R | 95 | Very high | 93.1 | Very high | 97 Ų | 97 | 41.7 Ų | 41.7 | 37% | 0.366 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.8 | -36 | 177.6 | -73.7 | -174.8 | -65.6 | -100.1 | 4.4 | 113.1 | M66 K67 Q68 R74 V106 | M66-R70 WeakPolarHBondContact O-CB 3.25Å; M66-R70 WeakPolarHBondContact O-CG 3.22Å; M66-R70 PolarHBondContact O-N 3.16Å; K67-R70 PolarHBondContact O-N 2.88Å; Q68-R70 PolarHBondContact O-N 3.33Å; R70-R74 WeakPolarHBondContact O-CG 3.41Å; R70-R74 PolarHBondContact O-N 2.62Å; R70-R74 PolarHBondContact O-NE 2.91Å; R70-V106 HydrophobicContact CG-CG1 4.45Å |
| 71 | D | 95.8 | Very high | 93 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 174.8 | -64.6 | -14.3 | 0 | 0 | 0 | 110.4 | K67 Q68 A69 I73 R74 E75 | K67-D71 VanDerWaalsContact O-CG 3.27Å; K67-D71 PolarHBondContact O-N 2.76Å; Q68-D71 PolarHBondContact O-N 3.2Å; A69-D71 VanDerWaalsContact C-N 3.34Å; A69-D71 PolarHBondContact O-N 3.21Å; D71-I73 PolarHBondContact O-N 3.02Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 IonicContact OD1-CZ 3.92Å; D71-R74 IonicContact OD1-NH2 2.77Å; D71-R74 PolarHBondContact OD1-NH2 3.49Å; D71-E75 WeakPolarHBondContact O-CG 3.39Å; D71-E75 PolarHBondContact O-N 2.93Å |
| 72 | L | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.8 | -71.7 | 165.6 | 0 | 0 | 0 | 113 | F56 I57 Q68 A69 R74 E75 M76 | F56-L72 HydrophobicContact CB-CD1 4.19Å; F56-L72 HydrophobicContact CD1-CD1 3.49Å; F56-L72 VanDerWaalsContact CD1-CD1 3.49Å; F56-L72 HydrophobicContact CD1-CD2 3.55Å; F56-L72 HydrophobicContact CD1-CG 4.18Å; F56-L72 HydrophobicContact CD2-CD1 4.16Å; F56-L72 HydrophobicContact CE1-CD1 3.86Å; F56-L72 HydrophobicContact CE1-CD2 3.97Å; F56-L72 HydrophobicContact CE1-CG 4.47Å; F56-L72 HydrophobicContact CE2-CD1 4.47Å; F56-L72 HydrophobicContact CG-CD1 3.66Å; F56-L72 HydrophobicContact CG-CD2 4.39Å; F56-L72 HydrophobicContact CZ-CD1 4.33Å; I57-L72 HydrophobicContact CD1-CB 4.18Å; I57-L72 HydrophobicContact CG1-CB 3.55Å; I57-L72 HydrophobicContact CG1-CD1 4.24Å; Q68-L72 HydrophobicContact CG-CD1 4.06Å; Q68-L72 WeakPolarHBondContact O-CB 3.44Å; Q68-L72 VanDerWaalsContact O-CG 3.29Å; Q68-L72 WeakPolarHBondContact O-CG 3.45Å; Q68-L72 PolarHBondContact O-N 3.3Å; A69-L72 PolarHBondContact O-N 3.49Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-E75 PolarHBondContact O-N 3.15Å; L72-M76 WeakPolarHBondContact O-CB 3.34Å; L72-M76 PolarHBondContact O-N 2.81Å |
| 73 | I | 96.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 177.1 | -69.3 | 161.3 | 0 | 0 | 0 | 111.1 | I57 A69 D71 S77 V102 K103 V106 | I57-I73 HydrophobicContact CD1-CG1 3.83Å; I57-I73 HydrophobicContact CG1-CG1 4.24Å; I57-I73 HydrophobicContact CG2-CD1 4.34Å; I57-I73 HydrophobicContact CG2-CG1 4.15Å; A69-I73 WeakPolarHBondContact O-CD1 3.33Å; A69-I73 WeakPolarHBondContact O-CG1 3.34Å; A69-I73 PolarHBondContact O-N 2.86Å; D71-I73 PolarHBondContact O-N 3.02Å; I73-S77 PolarHBondContact O-N 3.02Å; I73-S77 PolarHBondContact O-OG 3.11Å; I73-V102 HydrophobicContact CD1-CG1 4.4Å; I73-V102 HydrophobicContact CD1-CG2 3.75Å; I73-V102 HydrophobicContact CG1-CG1 4.08Å; I73-V102 HydrophobicContact CG1-CG2 3.91Å; I73-V102 HydrophobicContact CG2-CG1 4.08Å; I73-K103 HydrophobicContact CG2-CG 3.97Å; I73-V106 HydrophobicContact CD1-CG2 3.76Å |
| 74 | R | 96.7 | Very high | 92.9 | Very high | 147 Ų | 147 | 51.3 Ų | 51.3 | 56% | 0.555 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.8 | -43.1 | 176.1 | -76.9 | -178.4 | -78.8 | 161.7 | -16.8 | 111.6 | R70 D71 L72 S77 R78 | R70-R74 WeakPolarHBondContact O-CG 3.41Å; R70-R74 PolarHBondContact O-N 2.62Å; R70-R74 PolarHBondContact O-NE 2.91Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 IonicContact OD1-CZ 3.92Å; D71-R74 IonicContact OD1-NH2 2.77Å; D71-R74 PolarHBondContact OD1-NH2 3.49Å; L72-R74 VanDerWaalsContact C-N 3.34Å; R74-S77 PolarHBondContact O-N 3.08Å; R74-R78 PolarHBondContact O-N 3.06Å |
| 75 | E | 95 | Very high | 92.8 | Very high | 58 Ų | 58 | 60.4 Ų | 60.4 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 175.2 | -72.4 | 169.2 | -160.9 | 0 | 0 | 111.9 | R29 H53 D71 L72 S77 R78 L79 | R29-E75 IonicContact CZ-OE1 3.65Å; R29-E75 IonicContact CZ-OE2 3.2Å; R29-E75 IonicContact NH1-OE1 2.94Å; R29-E75 PolarHBondContact NH1-OE1 3.16Å; R29-E75 IonicContact NH1-OE2 3.7Å; R29-E75 PolarHBondContact NH1-OE2 3.14Å; R29-E75 IonicContact NH2-OE1 3.98Å; R29-E75 PolarHBondContact NH2-OE1 3.38Å; R29-E75 IonicContact NH2-OE2 2.67Å; R29-E75 PolarHBondContact NH2-OE2 2.81Å; H53-E75 IonicContact NE2-OE2 2.71Å; D71-E75 WeakPolarHBondContact O-CG 3.39Å; D71-E75 PolarHBondContact O-N 2.93Å; L72-E75 PolarHBondContact O-N 3.15Å; E75-S77 VanDerWaalsContact C-N 3.25Å; E75-S77 PolarHBondContact O-N 3.39Å; E75-R78 PolarHBondContact O-N 2.91Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-L79 WeakPolarHBondContact O-CG 3.44Å; E75-L79 PolarHBondContact O-N 3.49Å |
| 76 | M | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 177.5 | -172.8 | 176.7 | 171.4 | 0 | 0 | 111.6 | L50 H53 A54 I57 L72 R78 L79 V80 W95 V98 L99 | L50-M76 HydrophobicContact CD2-CG 4.47Å; H53-M76 HydrophobicContact CB-CB 4.21Å; H53-M76 HydrophobicContact CB-CG 4.14Å; H53-M76 HydrophobicContact CB-SD 4.17Å; A54-M76 HydrophobicContact CB-CE 4.08Å; A54-M76 HydrophobicContact CB-SD 4.45Å; I57-M76 HydrophobicContact CD1-CB 4.36Å; I57-M76 HydrophobicContact CD1-SD 3.6Å; I57-M76 VanDerWaalsContact CD1-SD 3.6Å; L72-M76 WeakPolarHBondContact O-CB 3.34Å; L72-M76 PolarHBondContact O-N 2.81Å; M76-R78 PolarHBondContact O-N 3.49Å; M76-L79 PolarHBondContact O-N 2.84Å; M76-V80 HydrophobicContact CG-CG2 4.39Å; M76-V80 VanDerWaalsContact O-CG2 3.31Å; M76-V80 WeakPolarHBondContact O-CG2 3.32Å; M76-V80 PolarHBondContact O-N 3.16Å; M76-W95 HydrophobicContact CE-CE3 3.84Å; M76-W95 HydrophobicContact CE-CZ3 3.57Å; M76-V98 HydrophobicContact CE-CG1 3.81Å; M76-L99 HydrophobicContact CB-CD2 4.34Å; M76-L99 HydrophobicContact CE-CD2 4.48Å; M76-L99 HydrophobicContact CG-CD2 3.97Å; M76-L99 HydrophobicContact SD-CD2 4.34Å |
| 77 | S | 95.5 | Very high | 92.3 | Very high | 18 Ų | 18 | 65 Ų | 65 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -48 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | I73 R74 E75 L79 V80 D81 K103 | I73-S77 PolarHBondContact O-N 3.02Å; I73-S77 PolarHBondContact O-OG 3.11Å; R74-S77 PolarHBondContact O-N 3.08Å; E75-S77 VanDerWaalsContact C-N 3.25Å; E75-S77 PolarHBondContact O-N 3.39Å; S77-L79 PolarHBondContact O-N 2.7Å; S77-V80 PolarHBondContact O-N 3.13Å; S77-D81 VanDerWaalsContact O-CG 3.31Å; S77-D81 PolarHBondContact O-N 3.32Å; S77-K103 WeakPolarHBondContact OG-CE 3.42Å; S77-K103 PolarHBondContact OG-NZ 2.83Å |
| 78 | R | 94.3 | Very high | 91.3 | Very high | 170 Ų | 170 | 64.3 Ų | 64.3 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62 | -44 | 177.2 | -63 | 175 | -174.4 | 165.4 | -0.4 | 111.9 | R74 E75 M76 V80 D81 D82 | R74-R78 PolarHBondContact O-N 3.06Å; E75-R78 PolarHBondContact O-N 2.91Å; E75-R78 VanDerWaalsContact O-N 3.12Å; M76-R78 PolarHBondContact O-N 3.49Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 3.33Å; R78-D81 PolarHBondContact O-N 3.35Å; R78-D82 PolarHBondContact O-N 3.35Å |
| 79 | L | 91.5 | Very high | 90.2 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 179.6 | -68 | 173.6 | 0 | 0 | 0 | 112.8 | K49 L50 H53 E75 M76 S77 Y83 | K49-L79 HydrophobicContact CD-CD1 4.28Å; K49-L79 HydrophobicContact CD-CD2 4.04Å; K49-L79 HydrophobicContact CG-CD1 4.25Å; L50-L79 HydrophobicContact CD2-CB 3.62Å; H53-L79 WeakPolarHBondContact CE1-CD1 3.05Å; E75-L79 WeakPolarHBondContact O-CG 3.44Å; E75-L79 PolarHBondContact O-N 3.49Å; M76-L79 PolarHBondContact O-N 2.84Å; S77-L79 PolarHBondContact O-N 2.7Å; L79-Y83 VanDerWaalsContact O-CB 3.23Å; L79-Y83 WeakPolarHBondContact O-CB 3.39Å; L79-Y83 PolarHBondContact O-N 3.41Å |
| 80 | V | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.2 | -43.5 | 175.6 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | L50 M76 S77 R78 D82 Y83 I84 W95 L99 | L50-V80 HydrophobicContact CD1-CG2 4.35Å; L50-V80 HydrophobicContact CD2-CG2 3.62Å; M76-V80 HydrophobicContact CG-CG2 4.39Å; M76-V80 VanDerWaalsContact O-CG2 3.31Å; M76-V80 WeakPolarHBondContact O-CG2 3.32Å; M76-V80 PolarHBondContact O-N 3.16Å; S77-V80 PolarHBondContact O-N 3.13Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 3.33Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.4Å; V80-Y83 PolarHBondContact O-N 2.77Å; V80-I84 HydrophobicContact CG1-CD1 3.53Å; V80-I84 HydrophobicContact CG1-CG1 4.33Å; V80-I84 WeakPolarHBondContact O-CD1 3.09Å; V80-I84 VanDerWaalsContact O-CG1 3.3Å; V80-I84 WeakPolarHBondContact O-CG1 3.36Å; V80-I84 PolarHBondContact O-N 3.3Å; V80-W95 HydrophobicContact CG1-CB 3.79Å; V80-W95 HydrophobicContact CG2-CB 4.2Å; V80-W95 HydrophobicContact CG2-CE3 4.36Å; V80-L99 HydrophobicContact CB-CD1 3.79Å; V80-L99 HydrophobicContact CG1-CD1 3.77Å; V80-L99 HydrophobicContact CG2-CD1 3.99Å; V80-L99 HydrophobicContact CG2-CD2 4.5Å; V80-L99 HydrophobicContact CG2-CG 4.26Å |
| 81 | D | 90.8 | Very high | 88.8 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.7 | -67.5 | -25.9 | 0 | 0 | 0 | 111.1 | S77 R78 I84 R85 | S77-D81 VanDerWaalsContact O-CG 3.31Å; S77-D81 PolarHBondContact O-N 3.32Å; R78-D81 PolarHBondContact O-N 3.35Å; D81-I84 PolarHBondContact O-N 2.99Å; D81-R85 VanDerWaalsContact O-CB 3.24Å; D81-R85 WeakPolarHBondContact O-CB 3.45Å; D81-R85 PolarHBondContact O-N 3.45Å |
| 82 | D | 89.4 | Confident | 88.2 | Confident | 94 Ų | 94 | 76.3 Ų | 76.3 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 176.6 | -70.1 | -26 | 0 | 0 | 0 | 111.9 | R78 V80 R85 K86 | R78-D82 PolarHBondContact O-N 3.35Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.4Å; D82-R85 PolarHBondContact O-N 3.31Å; D82-K86 VanDerWaalsContact O-CB 3.28Å; D82-K86 WeakPolarHBondContact O-CB 3.23Å; D82-K86 PolarHBondContact O-N 2.69Å |
| 83 | Y | 88.4 | Confident | 87.8 | Confident | 12 Ų | 12 | 82.2 Ų | 82.2 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 177.3 | 174.5 | -98.6 | 0 | 0 | 0 | 111.9 | A46 L47 L50 L79 V80 R85 K86 Y87 S89 | A46-Y83 HydrophobicContact CB-CD2 3.74Å; A46-Y83 HydrophobicContact CB-CE2 4.27Å; L47-Y83 HydrophobicContact CD2-CE1 4.17Å; L47-Y83 HydrophobicContact CD2-CE2 3.97Å; L47-Y83 HydrophobicContact CG-CE2 3.8Å; L50-Y83 HydrophobicContact CD1-CD1 4.19Å; L50-Y83 HydrophobicContact CD1-CD2 4.38Å; L50-Y83 HydrophobicContact CD1-CG 3.96Å; L79-Y83 VanDerWaalsContact O-CB 3.23Å; L79-Y83 WeakPolarHBondContact O-CB 3.39Å; L79-Y83 PolarHBondContact O-N 3.41Å; V80-Y83 PolarHBondContact O-N 2.77Å; Y83-R85 VanDerWaalsContact C-N 3.34Å; Y83-R85 PolarHBondContact O-N 3.11Å; Y83-K86 PolarHBondContact O-N 3.45Å; Y83-Y87 AromaticContact CD2-CD2 3.43Å; Y83-Y87 HydrophobicContact CD2-CD2 3.43Å; Y83-Y87 VanDerWaalsContact CD2-CD2 3.43Å; Y83-Y87 AromaticContact CD2-CE2 3.92Å; Y83-Y87 HydrophobicContact CD2-CE2 3.92Å; Y83-Y87 HydrophobicContact CD2-CG 4.47Å; Y83-Y87 AromaticContact CE2-CD2 3.61Å; Y83-Y87 HydrophobicContact CE2-CD2 3.61Å; Y83-Y87 HydrophobicContact CE2-CE2 4.26Å; Y83-Y87 HydrophobicContact CE2-CG 4.3Å; Y83-Y87 HydrophobicContact CG-CD2 4.22Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.26Å; Y83-Y87 PolarHBondContact O-N 2.84Å; Y83-S89 PolarHBondContact OH-OG 2.91Å |
| 84 | I | 88 | Confident | 87.4 | Confident | 22 Ų | 22 | 83.1 Ų | 83.1 | 11% | 0.113 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 178.6 | -68.9 | 160.4 | 0 | 0 | 0 | 110 | V80 D81 K86 D88 R92 | V80-I84 HydrophobicContact CG1-CD1 3.53Å; V80-I84 HydrophobicContact CG1-CG1 4.33Å; V80-I84 WeakPolarHBondContact O-CD1 3.09Å; V80-I84 VanDerWaalsContact O-CG1 3.3Å; V80-I84 WeakPolarHBondContact O-CG1 3.36Å; V80-I84 PolarHBondContact O-N 3.3Å; D81-I84 PolarHBondContact O-N 2.99Å; I84-K86 VanDerWaalsContact C-N 3.31Å; I84-K86 PolarHBondContact O-N 3.25Å; I84-D88 PolarHBondContact O-N 3.45Å; I84-D88 VanDerWaalsContact O-N 3.08Å; I84-R92 HydrophobicContact CD1-CB 4.4Å; I84-R92 HydrophobicContact CD1-CG 3.85Å; I84-R92 HydrophobicContact CG1-CB 4.15Å; I84-R92 HydrophobicContact CG1-CG 4.02Å; I84-R92 HydrophobicContact CG2-CB 4.32Å; I84-R92 HydrophobicContact CG2-CG 3.86Å |
| 85 | R | 87.7 | Confident | 87 | Confident | 219 Ų | 219 | 76.7 Ų | 76.7 | 83% | 0.826 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63 | -37.4 | -178.9 | -176.1 | 178.8 | 178.5 | -177.2 | 0.4 | 112.5 | D81 D82 Y83 | D81-R85 VanDerWaalsContact O-CB 3.24Å; D81-R85 WeakPolarHBondContact O-CB 3.45Å; D81-R85 PolarHBondContact O-N 3.45Å; D82-R85 PolarHBondContact O-N 3.31Å; Y83-R85 VanDerWaalsContact C-N 3.34Å; Y83-R85 PolarHBondContact O-N 3.11Å |
| 86 | K | 87.4 | Confident | 86.8 | Confident | 102 Ų | 102 | 76 Ų | 76 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -83.4 | -35.7 | -174.4 | -160.7 | 175.3 | -165 | -161.3 | 0 | 113.3 | D41 D82 Y83 I84 | D41-K86 VanDerWaalsContact CG-CE 3.5Å; D41-K86 WeakPolarHBondContact OD1-CD 3.48Å; D41-K86 WeakPolarHBondContact OD1-CE 3.39Å; D41-K86 IonicContact OD1-NZ 3.08Å; D41-K86 PolarHBondContact OD1-NZ 3.18Å; D41-K86 IonicContact OD2-NZ 2.67Å; D82-K86 VanDerWaalsContact O-CB 3.28Å; D82-K86 WeakPolarHBondContact O-CB 3.23Å; D82-K86 PolarHBondContact O-N 2.69Å; Y83-K86 PolarHBondContact O-N 3.45Å; I84-K86 VanDerWaalsContact C-N 3.31Å; I84-K86 PolarHBondContact O-N 3.25Å |
| 87 | Y | 83.8 | Confident | 86.6 | Confident | 57 Ų | 57 | 81.1 Ų | 81.1 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -112.4 | -5.3 | -168.8 | -60.8 | -65.2 | 0 | 0 | 0 | 115.1 | D41 A46 Y83 S89 | D41-Y87 WeakPolarHBondContact OD1-CE1 3.5Å; D41-Y87 PolarHBondContact OD1-OH 3.1Å; A46-Y87 HydrophobicContact CB-CE2 4.06Å; Y83-Y87 AromaticContact CD2-CD2 3.43Å; Y83-Y87 HydrophobicContact CD2-CD2 3.43Å; Y83-Y87 VanDerWaalsContact CD2-CD2 3.43Å; Y83-Y87 AromaticContact CD2-CE2 3.92Å; Y83-Y87 HydrophobicContact CD2-CE2 3.92Å; Y83-Y87 HydrophobicContact CD2-CG 4.47Å; Y83-Y87 AromaticContact CE2-CD2 3.61Å; Y83-Y87 HydrophobicContact CE2-CD2 3.61Å; Y83-Y87 HydrophobicContact CE2-CE2 4.26Å; Y83-Y87 HydrophobicContact CE2-CG 4.3Å; Y83-Y87 HydrophobicContact CG-CD2 4.22Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.26Å; Y83-Y87 PolarHBondContact O-N 2.84Å; Y87-S89 PolarHBondContact O-N 3.46Å; Y87-S89 VanDerWaalsContact O-N 3.15Å |
| 88 | D | 69.3 | Low | 86.4 | Confident | 138 Ų | 138 | 80.8 Ų | 80.8 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | trans | 37.7 | 54.8 | -175.3 | -161.8 | 23.4 | 0 | 0 | 0 | 112.6 | I84 | I84-D88 PolarHBondContact O-N 3.45Å; I84-D88 VanDerWaalsContact O-N 3.08Å | ||
| 89 | S | 71.5 | Confident | 86.4 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 16% | 0.161 | 36% | 0.356 | C | S | . | . | trans | -84.9 | 141.8 | -165.4 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | Y83 Y87 D91 R92 | Y83-S89 PolarHBondContact OH-OG 2.91Å; Y87-S89 PolarHBondContact O-N 3.46Å; Y87-S89 VanDerWaalsContact O-N 3.15Å; S89-D91 PolarHBondContact O-N 3.17Å; S89-D91 VanDerWaalsContact O-N 3.07Å; S89-D91 WeakPolarHBondContact OG-CB 3.37Å; S89-D91 PolarHBondContact OG-N 2.74Å; S89-R92 WeakPolarHBondContact O-CB 3.49Å; S89-R92 PolarHBondContact O-N 3.23Å | ||
| 90 | E | 78.3 | Confident | 86.5 | Confident | 195 Ų | 195 | 76.1 Ų | 76.1 | 91% | 0.911 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25 | 168.2 | -61.9 | -175.7 | 168.6 | 0 | 0 | 112.4 | R92 | E90-R92 PolarHBondContact O-N 3.15Š|
| 91 | D | 82.5 | Confident | 86.5 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.7 | 178.7 | -65.1 | -37.3 | 0 | 0 | 0 | 114 | S89 L93 A94 W95 | S89-D91 PolarHBondContact O-N 3.17Å; S89-D91 VanDerWaalsContact O-N 3.07Å; S89-D91 WeakPolarHBondContact OG-CB 3.37Å; S89-D91 PolarHBondContact OG-N 2.74Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.47Å; D91-A94 WeakPolarHBondContact O-CB 3.13Å; D91-A94 PolarHBondContact O-N 3.04Å; D91-W95 PolarHBondContact O-N 3.23Å |
| 92 | R | 83.3 | Confident | 86.7 | Confident | 138 Ų | 138 | 74.9 Ų | 74.9 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -49.8 | -49.1 | -177.1 | 173.6 | 175.5 | -177 | -176.7 | -0.8 | 112.6 | I84 S89 E90 S96 | I84-R92 HydrophobicContact CD1-CB 4.4Å; I84-R92 HydrophobicContact CD1-CG 3.85Å; I84-R92 HydrophobicContact CG1-CB 4.15Å; I84-R92 HydrophobicContact CG1-CG 4.02Å; I84-R92 HydrophobicContact CG2-CB 4.32Å; I84-R92 HydrophobicContact CG2-CG 3.86Å; S89-R92 WeakPolarHBondContact O-CB 3.49Å; S89-R92 PolarHBondContact O-N 3.23Å; E90-R92 PolarHBondContact O-N 3.15Å; R92-S96 WeakPolarHBondContact O-CB 3.21Å; R92-S96 PolarHBondContact O-N 3.45Å; R92-S96 PolarHBondContact O-OG 2.97Å |
| 93 | L | 86.7 | Confident | 86.9 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | -179.4 | -69.9 | 174 | 0 | 0 | 0 | 110.9 | D91 S96 M97 | D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.47Å; L93-S96 PolarHBondContact O-N 3.49Å; L93-M97 HydrophobicContact CB-CE 4.22Å; L93-M97 VanDerWaalsContact O-CG 3.32Å; L93-M97 WeakPolarHBondContact O-CG 3.43Å; L93-M97 PolarHBondContact O-N 2.86Å |
| 94 | A | 88.2 | Confident | 87.2 | Confident | 31 Ų | 31 | 76.7 Ų | 76.7 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | D91 M97 V98 | D91-A94 WeakPolarHBondContact O-CB 3.13Å; D91-A94 PolarHBondContact O-N 3.04Å; A94-M97 PolarHBondContact O-N 3.49Å; A94-V98 VanDerWaalsContact O-CG2 3.31Å; A94-V98 WeakPolarHBondContact O-CG2 3.49Å; A94-V98 PolarHBondContact O-N 2.87Å |
| 95 | W | 90.1 | Very high | 87.5 | Confident | 11 Ų | 11 | 75.7 Ų | 75.7 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.7 | -34.2 | 178.4 | -74.1 | 111.9 | 0 | 0 | 0 | 113.1 | L2 L47 L50 R51 M76 V80 D91 M97 V98 L99 | L2-W95 HydrophobicContact CD2-CH2 3.79Å; L2-W95 HydrophobicContact CD2-CZ2 4.39Å; L2-W95 HydrophobicContact CD2-CZ3 4.21Å; L47-W95 HydrophobicContact CD2-CZ2 3.84Å; L50-W95 HydrophobicContact CB-CH2 3.52Å; L50-W95 HydrophobicContact CB-CZ2 3.82Å; L50-W95 HydrophobicContact CB-CZ3 3.94Å; L50-W95 HydrophobicContact CD1-CD2 4.11Å; L50-W95 HydrophobicContact CD1-CE3 4.49Å; L50-W95 HydrophobicContact CD1-CH2 4.4Å; L50-W95 HydrophobicContact CD1-CZ2 4Å; R51-W95 HydrophobicContact CG-CH2 4.26Å; M76-W95 HydrophobicContact CE-CE3 3.84Å; M76-W95 HydrophobicContact CE-CZ3 3.57Å; V80-W95 HydrophobicContact CG1-CB 3.79Å; V80-W95 HydrophobicContact CG2-CB 4.2Å; V80-W95 HydrophobicContact CG2-CE3 4.36Å; D91-W95 PolarHBondContact O-N 3.23Å; W95-M97 VanDerWaalsContact C-N 3.34Å; W95-V98 HydrophobicContact CE3-CB 4.46Å; W95-V98 HydrophobicContact CE3-CG1 4.47Å; W95-V98 PolarHBondContact O-N 3.47Å; W95-L99 PolarHBondContact O-N 3.44Å |
| 96 | S | 90.2 | Very high | 87.8 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 174 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | R92 L93 L99 T100 | R92-S96 WeakPolarHBondContact O-CB 3.21Å; R92-S96 PolarHBondContact O-N 3.45Å; R92-S96 PolarHBondContact O-OG 2.97Å; L93-S96 PolarHBondContact O-N 3.49Å; S96-L99 PolarHBondContact O-N 3.12Å; S96-T100 PolarHBondContact O-N 3.4Å; S96-T100 PolarHBondContact O-OG1 3.47Å |
| 97 | M | 90.5 | Very high | 88 | Confident | 108 Ų | 108 | 66.9 Ų | 66.9 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 172.6 | -71.6 | 179 | -149.3 | 0 | 0 | 111 | L93 A94 W95 L99 T100 E101 | L93-M97 HydrophobicContact CB-CE 4.22Å; L93-M97 VanDerWaalsContact O-CG 3.32Å; L93-M97 WeakPolarHBondContact O-CG 3.43Å; L93-M97 PolarHBondContact O-N 2.86Å; A94-M97 PolarHBondContact O-N 3.49Å; W95-M97 VanDerWaalsContact C-N 3.34Å; M97-L99 VanDerWaalsContact C-N 3.28Å; M97-L99 PolarHBondContact O-N 2.81Å; M97-T100 CarbonylContact O-C 3.38Å; M97-T100 WeakPolarHBondContact O-CA 3.23Å; M97-T100 WeakPolarHBondContact O-CB 3.11Å; M97-T100 PolarHBondContact O-N 3.34Å; M97-E101 WeakPolarHBondContact O-CB 3.47Å; M97-E101 WeakPolarHBondContact O-CG 3.32Å; M97-E101 PolarHBondContact O-N 3.18Å |
| 98 | V | 91.5 | Very high | 88.5 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.2 | -41.5 | 178.7 | 172 | 0 | 0 | 0 | 0 | 112.1 | L2 M76 A94 W95 V102 F161 | L2-V98 HydrophobicContact CD1-CB 4.48Å; L2-V98 HydrophobicContact CD1-CG1 4.04Å; L2-V98 HydrophobicContact CD1-CG2 3.54Å; L2-V98 HydrophobicContact CG-CG2 4.27Å; M76-V98 HydrophobicContact CE-CG1 3.81Å; A94-V98 VanDerWaalsContact O-CG2 3.31Å; A94-V98 WeakPolarHBondContact O-CG2 3.49Å; A94-V98 PolarHBondContact O-N 2.87Å; W95-V98 HydrophobicContact CE3-CB 4.46Å; W95-V98 HydrophobicContact CE3-CG1 4.47Å; W95-V98 PolarHBondContact O-N 3.47Å; V98-V102 PolarHBondContact O-N 3.33Å; V98-F161 HydrophobicContact CG1-CE2 4.24Å |
| 99 | L | 93 | Very high | 89.5 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 175.6 | -74.4 | 179.1 | 0 | 0 | 0 | 112.8 | M76 V80 W95 S96 M97 V102 K103 | M76-L99 HydrophobicContact CB-CD2 4.34Å; M76-L99 HydrophobicContact CE-CD2 4.48Å; M76-L99 HydrophobicContact CG-CD2 3.97Å; M76-L99 HydrophobicContact SD-CD2 4.34Å; V80-L99 HydrophobicContact CB-CD1 3.79Å; V80-L99 HydrophobicContact CG1-CD1 3.77Å; V80-L99 HydrophobicContact CG2-CD1 3.99Å; V80-L99 HydrophobicContact CG2-CD2 4.5Å; V80-L99 HydrophobicContact CG2-CG 4.26Å; W95-L99 PolarHBondContact O-N 3.44Å; S96-L99 PolarHBondContact O-N 3.12Å; M97-L99 VanDerWaalsContact C-N 3.28Å; M97-L99 PolarHBondContact O-N 2.81Å; L99-V102 WeakPolarHBondContact O-CG1 3.05Å; L99-K103 WeakPolarHBondContact O-CB 3.33Å; L99-K103 WeakPolarHBondContact O-CD 3.18Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 3.45Å |
| 100 | T | 93.1 | Very high | 90.5 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 53% | 0.534 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.5 | -45 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | S96 M97 K103 T104 | S96-T100 PolarHBondContact O-N 3.4Å; S96-T100 PolarHBondContact O-OG1 3.47Å; M97-T100 CarbonylContact O-C 3.38Å; M97-T100 WeakPolarHBondContact O-CA 3.23Å; M97-T100 WeakPolarHBondContact O-CB 3.11Å; M97-T100 PolarHBondContact O-N 3.34Å; T100-K103 PolarHBondContact O-N 3.13Å; T100-T104 VanDerWaalsContact O-CB 3.31Å; T100-T104 WeakPolarHBondContact O-CB 3.49Å; T100-T104 PolarHBondContact O-N 3.43Å; T100-T104 PolarHBondContact O-OG1 3.15Å |
| 101 | E | 92.9 | Very high | 91.2 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56 | -53.8 | 175.8 | -75.3 | 172.2 | -174.6 | 0 | 0 | 111.1 | M97 K103 T104 F105 F161 | M97-E101 WeakPolarHBondContact O-CB 3.47Å; M97-E101 WeakPolarHBondContact O-CG 3.32Å; M97-E101 PolarHBondContact O-N 3.18Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.31Å; E101-T104 PolarHBondContact O-N 3.24Å; E101-F105 VanDerWaalsContact O-CB 3.25Å; E101-F105 WeakPolarHBondContact O-CB 3.31Å; E101-F105 PolarHBondContact O-N 3.22Å; E101-F161 HydrophobicContact CB-CD2 4.28Å |
| 102 | V | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | -177.1 | 75.2 | 0 | 0 | 0 | 0 | 113 | I57 I73 V98 L99 F105 V106 F161 | I57-V102 HydrophobicContact CG2-CG2 3.75Å; I73-V102 HydrophobicContact CD1-CG1 4.4Å; I73-V102 HydrophobicContact CD1-CG2 3.75Å; I73-V102 HydrophobicContact CG1-CG1 4.08Å; I73-V102 HydrophobicContact CG1-CG2 3.91Å; I73-V102 HydrophobicContact CG2-CG1 4.08Å; V98-V102 PolarHBondContact O-N 3.33Å; L99-V102 WeakPolarHBondContact O-CG1 3.05Å; V102-F105 PolarHBondContact O-N 3.05Å; V102-V106 WeakPolarHBondContact O-CG2 3.32Å; V102-V106 PolarHBondContact O-N 3.42Å; V102-F161 HydrophobicContact CB-CD2 3.68Å; V102-F161 HydrophobicContact CB-CE1 4.38Å; V102-F161 HydrophobicContact CB-CE2 3.53Å; V102-F161 HydrophobicContact CB-CG 4.2Å; V102-F161 HydrophobicContact CB-CZ 3.9Å; V102-F161 HydrophobicContact CG2-CD1 4.02Å; V102-F161 HydrophobicContact CG2-CD2 4.05Å; V102-F161 HydrophobicContact CG2-CE1 3.7Å; V102-F161 HydrophobicContact CG2-CE2 3.76Å; V102-F161 HydrophobicContact CG2-CG 4.18Å; V102-F161 HydrophobicContact CG2-CZ 3.56Å |
| 103 | K | 94.8 | Very high | 92.3 | Very high | 87 Ų | 87 | 46.3 Ų | 46.3 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.5 | -49 | 176.3 | -73.5 | 171.9 | -174.3 | 173.9 | 0 | 110.6 | I73 S77 L99 T100 E101 F105 V106 E107 | I73-K103 HydrophobicContact CG2-CG 3.97Å; S77-K103 WeakPolarHBondContact OG-CE 3.42Å; S77-K103 PolarHBondContact OG-NZ 2.83Å; L99-K103 WeakPolarHBondContact O-CB 3.33Å; L99-K103 WeakPolarHBondContact O-CD 3.18Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 3.45Å; T100-K103 PolarHBondContact O-N 3.13Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.31Å; K103-F105 VanDerWaalsContact C-N 3.26Å; K103-F105 PolarHBondContact O-N 3.28Å; K103-V106 PolarHBondContact O-N 3Å; K103-E107 WeakPolarHBondContact O-CB 3.42Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3.33Å |
| 104 | T | 93.5 | Very high | 92.7 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 177.2 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | T100 E101 E107 A108 V159 | T100-T104 VanDerWaalsContact O-CB 3.31Å; T100-T104 WeakPolarHBondContact O-CB 3.49Å; T100-T104 PolarHBondContact O-N 3.43Å; T100-T104 PolarHBondContact O-OG1 3.15Å; E101-T104 PolarHBondContact O-N 3.24Å; T104-E107 PolarHBondContact O-N 2.93Å; T104-A108 WeakPolarHBondContact O-CB 3.29Å; T104-A108 PolarHBondContact O-N 3.18Å; T104-V159 HydrophobicContact CG2-CG1 3.97Å; T104-V159 HydrophobicContact CG2-CG2 3.96Å |
| 105 | F | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -50.2 | 177.2 | -166.1 | -79.9 | 0 | 0 | 0 | 112.4 | L61 E101 V102 K103 E107 A108 D109 V159 F161 F164 L166 Y169 | L61-F105 HydrophobicContact CD1-CD1 4.34Å; E101-F105 VanDerWaalsContact O-CB 3.25Å; E101-F105 WeakPolarHBondContact O-CB 3.31Å; E101-F105 PolarHBondContact O-N 3.22Å; V102-F105 PolarHBondContact O-N 3.05Å; K103-F105 VanDerWaalsContact C-N 3.26Å; K103-F105 PolarHBondContact O-N 3.28Å; F105-E107 VanDerWaalsContact C-N 3.33Å; F105-E107 PolarHBondContact O-N 2.79Å; F105-A108 PolarHBondContact O-N 2.84Å; F105-D109 PolarHBondContact O-N 2.87Å; F105-V159 HydrophobicContact CB-CG1 4.04Å; F105-V159 HydrophobicContact CD2-CG1 4.05Å; F105-V159 HydrophobicContact CG-CG1 4.43Å; F105-F161 HydrophobicContact CB-CB 3.94Å; F105-F161 HydrophobicContact CD2-CB 3.6Å; F105-F161 HydrophobicContact CE2-CB 4.28Å; F105-F161 HydrophobicContact CG-CB 3.79Å; F105-F164 HydrophobicContact CE1-CE2 4.25Å; F105-F164 HydrophobicContact CE2-CD2 4.15Å; F105-F164 AromaticContact CE2-CE2 3.92Å; F105-F164 HydrophobicContact CE2-CE2 3.92Å; F105-F164 HydrophobicContact CZ-CD2 4.05Å; F105-F164 AromaticContact CZ-CE2 3.54Å; F105-F164 HydrophobicContact CZ-CE2 3.54Å; F105-L166 HydrophobicContact CD1-CD1 4.47Å; F105-L166 HydrophobicContact CE1-CD1 3.93Å; F105-L166 HydrophobicContact CE2-CB 4.18Å; F105-L166 HydrophobicContact CE2-CD1 4.16Å; F105-L166 HydrophobicContact CZ-CB 4.46Å; F105-L166 HydrophobicContact CZ-CD1 3.74Å; F105-Y169 HydrophobicContact CE1-CD1 4.08Å; F105-Y169 HydrophobicContact CE1-CE1 4.48Å; F105-Y169 HydrophobicContact CE1-CG 4.09Å; F105-Y169 HydrophobicContact CZ-CD1 4.09Å; F105-Y169 AromaticContact CZ-CG 3.86Å; F105-Y169 HydrophobicContact CZ-CG 3.86Å |
| 106 | V | 93.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 178.7 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | L61 M66 R70 I73 V102 K103 A108 N110 | L61-V106 HydrophobicContact CD2-CG2 3.85Å; M66-V106 HydrophobicContact CE-CB 4.49Å; M66-V106 HydrophobicContact CE-CG1 3.87Å; M66-V106 HydrophobicContact CE-CG2 4.26Å; R70-V106 HydrophobicContact CG-CG1 4.45Å; I73-V106 HydrophobicContact CD1-CG2 3.76Å; V102-V106 WeakPolarHBondContact O-CG2 3.32Å; V102-V106 PolarHBondContact O-N 3.42Å; K103-V106 PolarHBondContact O-N 3Å; V106-A108 VanDerWaalsContact C-N 3.34Å; V106-N110 PolarHBondContact O-N 2.84Å |
| 107 | E | 92.8 | Very high | 93.2 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 55% | 0.547 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.4 | -34.8 | 174.4 | -73.4 | 175.5 | -166.1 | 0 | 0 | 112.5 | K103 T104 F105 R349 | K103-E107 WeakPolarHBondContact O-CB 3.42Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3.33Å; T104-E107 PolarHBondContact O-N 2.93Å; F105-E107 VanDerWaalsContact C-N 3.33Å; F105-E107 PolarHBondContact O-N 2.79Å; E107-R349 PolarHBondContact O-NH1 2.73Å |
| 108 | A | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72 | -37.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T104 F105 V106 N110 V111 V159 L166 R349 | T104-A108 WeakPolarHBondContact O-CB 3.29Å; T104-A108 PolarHBondContact O-N 3.18Å; F105-A108 PolarHBondContact O-N 2.84Å; V106-A108 VanDerWaalsContact C-N 3.34Å; A108-N110 VanDerWaalsContact C-N 3.32Å; A108-N110 PolarHBondContact O-N 3.06Å; A108-V111 WeakPolarHBondContact O-CG2 3.02Å; A108-V159 HydrophobicContact CB-CB 4.32Å; A108-V159 HydrophobicContact CB-CG1 4.23Å; A108-V159 HydrophobicContact CB-CG2 4.14Å; A108-L166 HydrophobicContact CB-CD2 3.77Å; A108-R349 HydrophobicContact CB-CB 3.83Å; A108-R349 HydrophobicContact CB-CG 3.82Å |
| 109 | D | 92 | Very high | 93.1 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 175 | -174.7 | 47 | 0 | 0 | 0 | 112.8 | F105 V111 L166 Y169 W170 | F105-D109 PolarHBondContact O-N 2.87Å; D109-V111 PolarHBondContact O-N 2.87Å; D109-L166 HydrophobicContact CB-CD1 4.01Å; D109-Y169 WeakPolarHBondContact OD1-CE1 3.45Å; D109-W170 PolarHBondContact OD1-NE1 3.33Å |
| 110 | N | 92.1 | Very high | 93 | Very high | 89 Ų | 89 | 53.6 Ų | 53.6 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | trans | -80.8 | 62.1 | -178.8 | -170.2 | 41.7 | 0 | 0 | 0 | 112.7 | V106 A108 | V106-N110 PolarHBondContact O-N 2.84Å; A108-N110 VanDerWaalsContact C-N 3.32Å; A108-N110 PolarHBondContact O-N 3.06Å | ||
| 111 | V | 93.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -66.3 | -43.4 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 112 | A108 D109 W170 L355 T362 F366 | A108-V111 WeakPolarHBondContact O-CG2 3.02Å; D109-V111 PolarHBondContact O-N 2.87Å; V111-W170 HydrophobicContact CG2-CH2 4.41Å; V111-W170 HydrophobicContact CG2-CZ2 4.08Å; V111-L355 HydrophobicContact CG1-CD2 4.15Å; V111-L355 HydrophobicContact CG2-CD1 4.37Å; V111-L355 HydrophobicContact CG2-CD2 4.4Å; V111-T362 HydrophobicContact CB-CG2 3.62Å; V111-T362 HydrophobicContact CG1-CG2 3.86Å; V111-T362 HydrophobicContact CG2-CG2 4.39Å; V111-F366 HydrophobicContact CG1-CB 3.85Å; V111-F366 HydrophobicContact CG1-CD2 3.62Å; V111-F366 HydrophobicContact CG1-CG 4.04Å |
| 112 | V | 94.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 9% | 0.085 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -127.3 | 119.1 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 109 | V114 T362 C365 L373 W378 | V112-V114 PolarHBondContact O-N 2.9Å; V112-T362 HydrophobicContact CB-CG2 4.28Å; V112-T362 HydrophobicContact CG2-CG2 3.86Å; V112-C365 HydrophobicContact CG2-CB 3.61Å; V112-L373 HydrophobicContact CG1-CB 4.3Å; V112-W378 HydrophobicContact CG1-CZ3 4.27Å |
| 113 | N | 94.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.203 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 103.2 | 176.3 | -174.3 | 25.1 | 0 | 0 | 0 | 110.3 | S121 S371 R372 L373 | N113-S121 PolarHBondContact ND2-OG 2.75Å; N113-S121 WeakPolarHBondContact OD1-CB 3.27Å; N113-S121 PolarHBondContact OD1-OG 2.99Å; N113-S371 PolarHBondContact N-O 3.39Å; N113-R372 WeakPolarHBondContact O-CA 3.33Å; N113-L373 PolarHBondContact O-N 2.97Å |
| 114 | V | 94.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.8 | 172.3 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | V112 S121 V122 V124 L373 L375 W378 | V112-V114 PolarHBondContact O-N 2.9Å; V114-S121 CarbonylContact O-C 3.56Å; V114-S121 WeakPolarHBondContact O-CA 3.39Å; V114-V122 HydrophobicContact CG1-CB 4.41Å; V114-V122 PolarHBondContact O-N 3.41Å; V114-V124 HydrophobicContact CB-CG2 4.3Å; V114-V124 HydrophobicContact CG2-CG2 4.02Å; V114-L373 CarbonylContact C-O 3.58Å; V114-L373 VanDerWaalsContact CA-O 3.29Å; V114-L373 WeakPolarHBondContact CA-O 3.4Å; V114-L375 HydrophobicContact CG1-CB 4.14Å; V114-L375 HydrophobicContact CG1-CD1 3.87Å; V114-W378 HydrophobicContact CG1-CB 3.95Å; V114-W378 HydrophobicContact CG1-CG 4.12Å; V114-W378 HydrophobicContact CG2-CB 4.47Å; V114-W378 HydrophobicContact CG2-CD2 3.62Å; V114-W378 HydrophobicContact CG2-CE3 3.38Å; V114-W378 HydrophobicContact CG2-CG 4.09Å; V114-W378 HydrophobicContact CG2-CZ3 3.89Å |
| 115 | V | 95.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.8 | -176.5 | -63.9 | 0 | 0 | 0 | 0 | 112 | S120 R372 L373 P374 L375 | V115-S120 CarbonylContact C-O 3.49Å; V115-S120 WeakPolarHBondContact CA-O 3.23Å; V115-R372 HydrophobicContact CG1-CG 4.39Å; V115-R372 HydrophobicContact CG2-CG 4.33Å; V115-L373 PolarHBondContact N-O 2.99Å; V115-P374 CarbonylContact O-C 3.56Å; V115-P374 WeakPolarHBondContact O-CA 3.45Å; V115-L375 WeakPolarHBondContact O-CB 3.39Å; V115-L375 PolarHBondContact O-N 3.01Å |
| 116 | D | 92.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | trans | -77.5 | 179.8 | 173 | -160.7 | 6 | 0 | 0 | 0 | 111.7 | D118 S119 S120 V122 | D116-D118 PolarHBondContact O-N 2.96Å; D116-S119 WeakPolarHBondContact O-CA 3.17Å; D116-S119 PolarHBondContact O-N 3.43Å; D116-S120 PolarHBondContact N-O 2.92Å; D116-V122 HydrophobicContact CB-CG2 3.82Å | ||
| 117 | V | 91.1 | Very high | 90.8 | Very high | 134 Ų | 134 | 52.3 Ų | 52.3 | 81% | 0.812 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -37.9 | 177.2 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | S119 | V117-S119 PolarHBondContact O-N 3.15Š|
| 118 | D | 91.8 | Very high | 90.6 | Very high | 132 Ų | 132 | 47.1 Ų | 47.1 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 13.3 | 177.7 | -62.4 | -33.5 | 0 | 0 | 0 | 113.8 | D116 S120 | D116-D118 PolarHBondContact O-N 2.96Å; D118-S120 PolarHBondContact O-N 2.96Å |
| 119 | S | 89 | Confident | 90 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 51% | 0.51 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 58.7 | 14.7 | -173.4 | -69.2 | 0 | 0 | 0 | 0 | 115.1 | D116 V117 R372 | D116-S119 WeakPolarHBondContact O-CA 3.17Å; D116-S119 PolarHBondContact O-N 3.43Å; V117-S119 PolarHBondContact O-N 3.15Å; S119-R372 PolarHBondContact OG-NH2 3.15Å |
| 120 | S | 90.3 | Very high | 88.8 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 51% | 0.51 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 132.7 | 174.8 | -70.4 | 0 | 0 | 0 | 0 | 110.4 | V115 D116 D118 V122 | V115-S120 CarbonylContact C-O 3.49Å; V115-S120 WeakPolarHBondContact CA-O 3.23Å; D116-S120 PolarHBondContact N-O 2.92Å; D118-S120 PolarHBondContact O-N 2.96Å; S120-V122 PolarHBondContact O-N 3.49Å |
| 121 | S | 89.8 | Confident | 87.5 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -64 | 128.9 | 176.5 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | N113 V114 | N113-S121 PolarHBondContact ND2-OG 2.75Å; N113-S121 WeakPolarHBondContact OD1-CB 3.27Å; N113-S121 PolarHBondContact OD1-OG 2.99Å; V114-S121 CarbonylContact O-C 3.56Å; V114-S121 WeakPolarHBondContact O-CA 3.39Å |
| 122 | V | 89.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 130.9 | 178.6 | -178 | 0 | 0 | 0 | 0 | 108.9 | V114 D116 S120 L375 | V114-V122 HydrophobicContact CG1-CB 4.41Å; V114-V122 PolarHBondContact O-N 3.41Å; D116-V122 HydrophobicContact CB-CG2 3.82Å; S120-V122 PolarHBondContact O-N 3.49Å; V122-L375 HydrophobicContact CG1-CD1 4.29Å; V122-L375 HydrophobicContact CG2-CD2 4.32Å |
| 123 | M | 85.5 | Confident | 85.6 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 120.9 | 173.8 | -71.4 | -56.9 | -48.3 | 0 | 0 | 109.8 | K64 M66 | K64-M123 HydrophobicContact CD-CE 4.18Å; K64-M123 HydrophobicContact CG-CE 3.67Å; M66-M123 HydrophobicContact CB-CE 3.96Å; M66-M123 HydrophobicContact CB-CG 4.38Å; M66-M123 HydrophobicContact CB-SD 3.62Å; M66-M123 HydrophobicContact CG-CE 3.28Å; M66-M123 HydrophobicContact CG-SD 3.65Å |
| 124 | V | 86 | Confident | 84.9 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 124.8 | 173.2 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | K64 V114 H126 W378 | K64-V124 VanDerWaalsContact CE-O 3.23Å; K64-V124 WeakPolarHBondContact CE-O 3.41Å; K64-V124 PolarHBondContact NZ-O 2.91Å; V114-V124 HydrophobicContact CB-CG2 4.3Å; V114-V124 HydrophobicContact CG2-CG2 4.02Å; V124-H126 PolarHBondContact O-NE2 2.8Å; V124-W378 HydrophobicContact CB-CZ2 4.42Å; V124-W378 HydrophobicContact CG1-CZ2 3.9Å; V124-W378 HydrophobicContact CG2-CZ2 4.27Å |
| 125 | S | 85.5 | Confident | 84.1 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 143.9 | 171.4 | 174.9 | 0 | 0 | 0 | 0 | 110 | R127 E178 | S125-R127 PolarHBondContact OG-N 3.33Å; S125-E178 VanDerWaalsContact CB-OE1 3.25Å; S125-E178 WeakPolarHBondContact CB-OE1 3.22Å; S125-E178 PolarHBondContact OG-OE1 3.07Å |
| 126 | H | 85.9 | Confident | 83.5 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | trans | -121.5 | 9.1 | 172.4 | -50.8 | -52.6 | 0 | 0 | 0 | 112.1 | K64 V124 H358 | K64-H126 PolarHBondContact NZ-CD2 2.85Å; K64-H126 PolarHBondContact NZ-NE2 3.35Å; V124-H126 PolarHBondContact O-NE2 2.8Å; H126-H358 AromaticContact CD2-CD2 3.87Å; H126-H358 AromaticContact CD2-CE1 3.43Å; H126-H358 PolarHBondContact CD2-CE1 3.43Å; H126-H358 VanDerWaalsContact CD2-CE1 3.43Å; H126-H358 AromaticContact CD2-NE2 2.98Å; H126-H358 PolarHBondContact CD2-NE2 3.2Å; H126-H358 AromaticContact CG-CE1 3.89Å; H126-H358 AromaticContact CG-NE2 3.75Å; H126-H358 AromaticContact NE2-NE2 3.76Å | ||
| 127 | R | 89.1 | Confident | 82.9 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 6% | 0.057 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -69.2 | 153 | 173 | -69.8 | 173.3 | 174 | -107.5 | -1.2 | 109 | T15 L62 S125 S129 Q173 E176 E178 | T15-R127 PolarHBondContact OG1-NH1 2.91Å; L62-R127 PolarHBondContact O-NH2 3.36Å; S125-R127 PolarHBondContact OG-N 3.33Å; R127-S129 PolarHBondContact O-N 3.4Å; R127-S129 VanDerWaalsContact O-N 3.17Å; R127-Q173 WeakPolarHBondContact CA-O 3.21Å; R127-Q173 WeakPolarHBondContact CG-O 3.41Å; R127-E176 CarbonylContact C-O 3.53Å; R127-E176 VanDerWaalsContact CA-O 3.31Å; R127-E176 WeakPolarHBondContact CA-O 3.49Å; R127-E176 WeakPolarHBondContact CB-O 3.31Å; R127-E176 HydrophobicContact CG-CB 4.14Å; R127-E176 VanDerWaalsContact NH1-CB 3.3Å; R127-E178 HydrophobicContact CB-CG 3.74Å |
| 128 | L | 87.2 | Confident | 82.3 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -68.2 | 113.4 | -178.6 | 177.4 | 64.1 | 0 | 0 | 0 | 109.9 | L133 E176 R177 E178 M413 F414 V417 | L128-L133 HydrophobicContact CD1-CD1 3.7Å; L128-L133 HydrophobicContact CD1-CG 4.28Å; L128-E176 PolarHBondContact N-O 3.43Å; L128-R177 HydrophobicContact CD2-CG 4.46Å; L128-R177 WeakPolarHBondContact O-CA 3.48Å; L128-E178 PolarHBondContact O-N 3.41Å; L128-M413 HydrophobicContact CD2-CB 3.68Å; L128-M413 HydrophobicContact CD2-CE 4.49Å; L128-M413 HydrophobicContact CD2-SD 4.49Å; L128-F414 HydrophobicContact CB-CD1 4.24Å; L128-F414 HydrophobicContact CB-CE1 3.76Å; L128-F414 HydrophobicContact CB-CZ 4.47Å; L128-F414 HydrophobicContact CD2-CD1 3.82Å; L128-F414 HydrophobicContact CD2-CD2 4.35Å; L128-F414 HydrophobicContact CD2-CE1 3.69Å; L128-F414 HydrophobicContact CD2-CE2 4.22Å; L128-F414 HydrophobicContact CD2-CG 4.17Å; L128-F414 HydrophobicContact CD2-CZ 3.93Å; L128-F414 HydrophobicContact CG-CE1 4.38Å; L128-V417 HydrophobicContact CD1-CG2 3.83Å |
| 129 | S | 81.5 | Confident | 81.8 | Confident | 24 Ų | 24 | 69 Ų | 69 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | trans | -98.3 | 149.8 | 169.7 | 84.3 | 0 | 0 | 0 | 0 | 110.4 | R127 Y131 S132 E178 | R127-S129 PolarHBondContact O-N 3.4Å; R127-S129 VanDerWaalsContact O-N 3.17Å; S129-Y131 PolarHBondContact O-N 3.35Å; S129-Y131 VanDerWaalsContact O-N 3.13Å; S129-S132 PolarHBondContact O-N 2.81Å; S129-S132 PolarHBondContact O-OG 2.72Å; S129-S132 WeakPolarHBondContact OG-CB 3.48Å; S129-S132 PolarHBondContact OG-N 3.48Å; S129-E178 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 130 | A | 65.8 | Low | 81.4 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 63% | 0.628 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 131 | Y | 64.7 | Low | 81.2 | Confident | 165 Ų | 165 | 68.9 Ų | 68.9 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -5.6 | -174.4 | -54.4 | -72.8 | 0 | 0 | 0 | 114.1 | S129 L133 | S129-Y131 PolarHBondContact O-N 3.35Å; S129-Y131 VanDerWaalsContact O-N 3.13Å; Y131-L133 VanDerWaalsContact C-N 3.28Å; Y131-L133 PolarHBondContact O-N 3.4Å |
| 132 | S | 69.2 | Low | 81.2 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -79.9 | -2.3 | -174.5 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | S129 | S129-S132 PolarHBondContact O-N 2.81Å; S129-S132 PolarHBondContact O-OG 2.72Å; S129-S132 WeakPolarHBondContact OG-CB 3.48Å; S129-S132 PolarHBondContact OG-N 3.48Å |
| 133 | L | 78.8 | Confident | 81.3 | Confident | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -130.2 | 146 | -170 | -78.2 | 176.5 | 0 | 0 | 0 | 112.9 | L128 Y131 L135 M413 R416 V417 L420 | L128-L133 HydrophobicContact CD1-CD1 3.7Å; L128-L133 HydrophobicContact CD1-CG 4.28Å; Y131-L133 VanDerWaalsContact C-N 3.28Å; Y131-L133 PolarHBondContact O-N 3.4Å; L133-L135 PolarHBondContact O-N 3.15Å; L133-M413 HydrophobicContact CD1-CB 4.1Å; L133-M413 HydrophobicContact CD1-CE 3.88Å; L133-R416 HydrophobicContact CD2-CG 4.44Å; L133-V417 HydrophobicContact CD1-CG2 3.65Å; L133-V417 HydrophobicContact CD2-CB 4.43Å; L133-V417 HydrophobicContact CD2-CG2 3.41Å; L133-V417 VanDerWaalsContact CD2-CG2 3.41Å; L133-V417 HydrophobicContact CG-CG2 3.74Å; L133-L420 HydrophobicContact CD2-CD1 3.93Å |
| 134 | P | 80.3 | Confident | 81.7 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 132.6 | 163.4 | -22.1 | 34.1 | 0 | 0 | 0 | 110.8 | L136 A390 R416 | P134-L136 PolarHBondContact O-N 2.94Å; P134-A390 HydrophobicContact CG-CB 4.3Å; P134-R416 PolarHBondContact O-NH1 3.29Å |
| 135 | L | 78.2 | Confident | 82.1 | Confident | 168 Ų | 168 | 67.6 Ų | 67.6 | 88% | 0.88 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 134.8 | 174.3 | -83 | 113.8 | 0 | 0 | 0 | 110 | L133 | L133-L135 PolarHBondContact O-N 3.15Š|
| 136 | L | 81.3 | Confident | 82.6 | Confident | 32 Ų | 32 | 66.1 Ų | 66.1 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 128.8 | 170.5 | -171.9 | 68.1 | 0 | 0 | 0 | 108.5 | P134 D140 D141 L397 Y410 R416 | P134-L136 PolarHBondContact O-N 2.94Å; L136-D140 HydrophobicContact CD1-CB 3.56Å; L136-D140 HydrophobicContact CG-CB 4.05Å; L136-D141 HydrophobicContact CD2-CB 4.11Å; L136-L397 HydrophobicContact CD1-CD1 3.83Å; L136-L397 HydrophobicContact CD1-CD2 3.94Å; L136-Y410 HydrophobicContact CD1-CD1 3.98Å; L136-Y410 HydrophobicContact CD1-CE1 4.1Å; L136-R416 VanDerWaalsContact CD2-NH2 3.3Å |
| 137 | E | 81.1 | Confident | 82.9 | Confident | 135 Ų | 135 | 65.8 Ų | 65.8 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 145.7 | 173.3 | -64.8 | -173.3 | 177.4 | 0 | 0 | 109.9 | S139 D140 | E137-S139 PolarHBondContact O-N 3.45Å; E137-D140 PolarHBondContact O-N 3.06Å |
| 138 | R | 76.9 | Confident | 83.2 | Confident | 221 Ų | 221 | 65 Ų | 65 | 83% | 0.834 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.4 | -178.4 | -77.6 | -178.2 | 168.7 | 166.8 | -4.7 | 113.7 | D140 | R138-D140 VanDerWaalsContact C-N 3.3Š|
| 139 | S | 81.5 | Confident | 83.6 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -24.1 | 176.8 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | E137 | E137-S139 PolarHBondContact O-N 3.45Š|
| 140 | D | 82.4 | Confident | 84.3 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 31% | 0.31 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -6 | -177.2 | -63.7 | -28.5 | 0 | 0 | 0 | 112.3 | L136 E137 R138 L142 L397 | L136-D140 HydrophobicContact CD1-CB 3.56Å; L136-D140 HydrophobicContact CG-CB 4.05Å; E137-D140 PolarHBondContact O-N 3.06Å; R138-D140 VanDerWaalsContact C-N 3.3Å; D140-L142 PolarHBondContact O-N 3.09Å; D140-L397 HydrophobicContact CB-CD2 4.18Å |
| 141 | D | 85.3 | Confident | 85.8 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | trans | -79.3 | 110.2 | 175.9 | -173.3 | 2 | 0 | 0 | 0 | 110.6 | L136 G143 | L136-D141 HydrophobicContact CD2-CB 4.11Å; D141-G143 VanDerWaalsContact C-N 3.29Å; D141-G143 WeakPolarHBondContact OD1-CA 3.26Å; D141-G143 PolarHBondContact OD1-N 3.19Å | ||
| 142 | L | 90.2 | Very high | 87.3 | Confident | 87 Ų | 87 | 52.1 Ų | 52.1 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | trans | -89 | 5.2 | 177.7 | -60.7 | 177.6 | 0 | 0 | 0 | 112.5 | D140 F144 R407 S411 | D140-L142 PolarHBondContact O-N 3.09Å; L142-F144 HydrophobicContact CB-CD2 3.77Å; L142-F144 HydrophobicContact CB-CE2 4.04Å; L142-F144 PolarHBondContact O-N 3.22Å; L142-R407 HydrophobicContact CD1-CB 4.11Å; L142-S411 PolarHBondContact N-OG 2.85Å | ||
| 143 | G | 90.3 | Very high | 88.5 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | trans | 75.6 | 7.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D141 | D141-G143 VanDerWaalsContact C-N 3.29Å; D141-G143 WeakPolarHBondContact OD1-CA 3.26Å; D141-G143 PolarHBondContact OD1-N 3.19Å | ||
| 144 | F | 94.5 | Very high | 89.3 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | trans | -77.2 | 138.1 | 175.4 | -69.4 | -94.2 | 0 | 0 | 0 | 111.4 | L142 Y238 I240 P306 P329 A408 | L142-F144 HydrophobicContact CB-CD2 3.77Å; L142-F144 HydrophobicContact CB-CE2 4.04Å; L142-F144 PolarHBondContact O-N 3.22Å; F144-Y238 VanDerWaalsContact CA-O 3.31Å; F144-Y238 WeakPolarHBondContact CA-O 3.24Å; F144-Y238 HydrophobicContact CD1-CD1 4.23Å; F144-Y238 HydrophobicContact CD2-CD1 4.39Å; F144-Y238 AromaticContact CE1-CD1 3.82Å; F144-Y238 HydrophobicContact CE1-CD1 3.82Å; F144-Y238 AromaticContact CE2-CD1 3.99Å; F144-Y238 HydrophobicContact CE2-CD1 3.99Å; F144-Y238 HydrophobicContact CE2-CE1 4.45Å; F144-Y238 AromaticContact CZ-CD1 3.69Å; F144-Y238 HydrophobicContact CZ-CD1 3.69Å; F144-Y238 HydrophobicContact CZ-CE1 4.15Å; F144-I240 HydrophobicContact CB-CD1 3.59Å; F144-I240 HydrophobicContact CB-CG1 4.17Å; F144-I240 HydrophobicContact CD1-CD1 4.36Å; F144-I240 HydrophobicContact CD1-CG1 4.11Å; F144-I240 HydrophobicContact CG-CD1 4.37Å; F144-P306 HydrophobicContact CD1-CB 4.3Å; F144-P306 HydrophobicContact CD1-CG 4.05Å; F144-P306 HydrophobicContact CE1-CB 4.22Å; F144-P306 HydrophobicContact CE1-CG 3.64Å; F144-P329 HydrophobicContact CE1-CG 3.95Å; F144-P329 HydrophobicContact CZ-CG 3.87Å; F144-A408 WeakPolarHBondContact CB-O 3.25Å; F144-A408 HydrophobicContact CD2-CB 3.64Å; F144-A408 HydrophobicContact CE2-CB 3.63Å; F144-A408 HydrophobicContact CG-CB 4.11Å; F144-A408 HydrophobicContact CZ-CB 4.08Å | ||
| 145 | T | 94.2 | Very high | 89.7 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.5 | -178.2 | 47.6 | 0 | 0 | 0 | 0 | 111 | A147 Y238 R239 I240 | T145-A147 PolarHBondContact O-N 3.04Å; T145-Y238 PolarHBondContact N-O 3.35Å; T145-R239 WeakPolarHBondContact O-CA 3.37Å; T145-R239 WeakPolarHBondContact OG1-CD 3.25Å; T145-R239 PolarHBondContact OG1-NE 2.93Å; T145-R239 PolarHBondContact OG1-NH1 3.44Å; T145-I240 PolarHBondContact O-N 3.21Å |
| 146 | L | 95.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 119.3 | 176.6 | -179.4 | 62.8 | 0 | 0 | 0 | 109.3 | E148 L175 P211 I240 L242 D412 F414 L415 | L146-E148 WeakPolarHBondContact CD1-O 3.23Å; L146-L175 HydrophobicContact CD2-CD2 3.98Å; L146-P211 HydrophobicContact CD2-CB 4.03Å; L146-P211 HydrophobicContact CD2-CG 3.93Å; L146-P211 HydrophobicContact CG-CB 3.83Å; L146-P211 HydrophobicContact CG-CG 4.29Å; L146-I240 HydrophobicContact CD1-CB 4.42Å; L146-I240 HydrophobicContact CD1-CG2 4.38Å; L146-L242 HydrophobicContact CD1-CB 3.6Å; L146-L242 HydrophobicContact CD2-CB 4.47Å; L146-L242 HydrophobicContact CD2-CD2 4.36Å; L146-D412 WeakPolarHBondContact CB-OD1 3.49Å; L146-D412 WeakPolarHBondContact CB-OD2 3.34Å; L146-D412 PolarHBondContact N-OD2 3.03Å; L146-F414 HydrophobicContact CD2-CB 3.9Å; L146-F414 HydrophobicContact CD2-CG 4.47Å; L146-L415 HydrophobicContact CB-CD1 4.37Å; L146-L415 HydrophobicContact CB-CG 4.29Å; L146-L415 HydrophobicContact CD1-CD1 4.46Å; L146-L415 HydrophobicContact CD1-CD2 4.25Å; L146-L415 HydrophobicContact CD2-CD2 4.04Å; L146-L415 HydrophobicContact CD2-CG 4.31Å |
| 147 | A | 93.7 | Very high | 90.2 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -39.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T145 R212 L235 R239 I240 | T145-A147 PolarHBondContact O-N 3.04Å; A147-R212 PolarHBondContact O-N 3.06Å; A147-L235 HydrophobicContact CB-CD2 4.04Å; A147-R239 HydrophobicContact CB-CB 3.73Å; A147-R239 HydrophobicContact CB-CG 4.1Å; A147-I240 PolarHBondContact N-O 3.16Å; A147-I240 VanDerWaalsContact N-O 3.09Å |
| 148 | E | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139 | -175.4 | -68.2 | -69.1 | 169.5 | 0 | 0 | 110.5 | L146 R212 L235 I240 L241 L242 | L146-E148 WeakPolarHBondContact CD1-O 3.23Å; E148-R212 CarbonylContact C-O 3.54Å; E148-R212 WeakPolarHBondContact CA-O 3.34Å; E148-R212 IonicContact OE1-CZ 2.67Å; E148-R212 IonicContact OE1-NE 3.75Å; E148-R212 PolarHBondContact OE1-NE 3.33Å; E148-R212 IonicContact OE1-NH2 3.65Å; E148-R212 PolarHBondContact OE1-NH2 2.88Å; E148-R212 WeakPolarHBondContact OE2-CB 3.37Å; E148-L235 HydrophobicContact CB-CD2 4.23Å; E148-L235 HydrophobicContact CG-CD2 3.99Å; E148-L235 HydrophobicContact CG-CG 4.43Å; E148-I240 PolarHBondContact N-O 2.93Å; E148-L241 HydrophobicContact CB-CD1 3.65Å; E148-L241 WeakPolarHBondContact O-CA 3.45Å; E148-L242 PolarHBondContact O-N 2.89Å |
| 149 | A | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 118.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | L175 R212 K213 S214 L242 | A149-L175 HydrophobicContact CB-CD1 3.87Å; A149-R212 PolarHBondContact N-O 3.46Å; A149-K213 HydrophobicContact CB-CG 4.36Å; A149-K213 CarbonylContact O-C 3.58Å; A149-K213 VanDerWaalsContact O-CA 3.29Å; A149-K213 WeakPolarHBondContact O-CA 3.36Å; A149-S214 PolarHBondContact O-N 3.26Å; A149-L242 CarbonylContact C-O 3.49Å; A149-L242 VanDerWaalsContact CA-O 3.3Å; A149-L242 WeakPolarHBondContact CA-O 2.93Å; A149-L242 HydrophobicContact CB-CB 4.19Å; A149-L242 HydrophobicContact CB-CD2 4.33Å |
| 150 | V | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.7 | 171.6 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | V152 L216 S231 L241 L242 L243 Y244 | V150-V152 HydrophobicContact CG1-CG2 4.07Å; V150-L216 HydrophobicContact CG1-CD1 3.86Å; V150-L216 HydrophobicContact CG1-CG 4.46Å; V150-S231 WeakPolarHBondContact CG2-OG 3.25Å; V150-L241 HydrophobicContact CG2-CD1 4.09Å; V150-L242 PolarHBondContact N-O 3.46Å; V150-L243 HydrophobicContact CB-CD1 3.79Å; V150-L243 HydrophobicContact CG1-CD1 3.82Å; V150-Y244 PolarHBondContact O-N 3.17Å |
| 151 | I | 96.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 109.7 | -175.7 | -54.7 | 176.2 | 0 | 0 | 0 | 107.9 | M168 M171 L172 L175 S214 L215 L216 Y244 | I151-M168 HydrophobicContact CG2-CB 4.11Å; I151-M168 HydrophobicContact CG2-CG 3.99Å; I151-M171 HydrophobicContact CD1-CB 4.22Å; I151-M171 HydrophobicContact CG2-CB 4.28Å; I151-L172 HydrophobicContact CD1-CD2 4.01Å; I151-L172 HydrophobicContact CD1-CG 4.16Å; I151-L175 HydrophobicContact CD1-CD1 3.99Å; I151-S214 PolarHBondContact N-O 2.88Å; I151-L215 HydrophobicContact CB-CD2 4.13Å; I151-L215 HydrophobicContact CD1-CD2 4.37Å; I151-L215 HydrophobicContact CG2-CD2 4.22Å; I151-L216 PolarHBondContact O-N 3.31Å; I151-Y244 HydrophobicContact CB-CD1 4.48Å; I151-Y244 HydrophobicContact CG2-CD1 3.6Å; I151-Y244 HydrophobicContact CG2-CE1 4.21Å; I151-Y244 HydrophobicContact CG2-CG 4.42Å |
| 152 | V | 96.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.8 | -178.5 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | V150 L216 P219 F224 L243 Y244 L245 S246 L268 | V150-V152 HydrophobicContact CG1-CG2 4.07Å; V152-L216 WeakPolarHBondContact CA-O 3.24Å; V152-L216 HydrophobicContact CG2-CB 4.26Å; V152-L216 HydrophobicContact CG2-CD1 4.21Å; V152-P219 HydrophobicContact CG1-CG 3.97Å; V152-F224 HydrophobicContact CG2-CD2 4.05Å; V152-F224 HydrophobicContact CG2-CE2 4.07Å; V152-L243 HydrophobicContact CG2-CD1 4.44Å; V152-Y244 PolarHBondContact N-O 3.02Å; V152-L245 HydrophobicContact CB-CD2 3.87Å; V152-L245 HydrophobicContact CG1-CD2 4.49Å; V152-L245 HydrophobicContact CG2-CD2 3.68Å; V152-S246 PolarHBondContact O-N 3.05Å; V152-L268 HydrophobicContact CG1-CD2 4.26Å |
| 153 | G | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 109.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L216 Y217 K218 | G153-L216 PolarHBondContact N-O 3.48Å; G153-Y217 WeakPolarHBondContact O-CA 3.19Å; G153-Y217 VanDerWaalsContact O-CD2 3.29Å; G153-Y217 WeakPolarHBondContact O-CD2 3.25Å; G153-K218 PolarHBondContact O-N 2.98Å |
| 154 | S | 94.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | trans | -130 | -4.5 | -176.3 | -65.8 | 0 | 0 | 0 | 0 | 113.8 | S156 S246 V267 L268 | S154-S156 PolarHBondContact O-N 2.91Å; S154-S246 PolarHBondContact N-O 3.26Å; S154-V267 VanDerWaalsContact CB-O 3.26Å; S154-V267 WeakPolarHBondContact CB-O 3.38Å; S154-L268 VanDerWaalsContact CB-O 3.24Å; S154-L268 WeakPolarHBondContact CB-O 3.46Å; S154-L268 PolarHBondContact OG-O 3.28Å | ||
| 155 | N | 90.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 19.1 Ų | 19.1 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | trans | -60.9 | 133 | 177.8 | -173.1 | -56.2 | 0 | 0 | 0 | 111.3 | S157 Q158 S246 D248 | N155-S157 PolarHBondContact OD1-N 2.83Å; N155-S157 PolarHBondContact OD1-OG 3.33Å; N155-Q158 HydrophobicContact CB-CG 3.83Å; N155-S246 PolarHBondContact N-O 3.46Å; N155-D248 PolarHBondContact ND2-OD1 2.87Å; N155-D248 PolarHBondContact OD1-OD1 3.27Å | ||
| 156 | S | 85.4 | Confident | 91.5 | Very high | 83 Ų | 83 | 17.2 Ų | 17.2 | 58% | 0.58 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -26.3 | -172.6 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | S154 D248 | S154-S156 PolarHBondContact O-N 2.91Å; S156-D248 WeakPolarHBondContact CB-OD2 3.42Å; S156-D248 PolarHBondContact N-OD1 3.42Å; S156-D248 PolarHBondContact N-OD2 3.35Å; S156-D248 PolarHBondContact OG-OD2 3.46Å |
| 157 | S | 84.6 | Confident | 91.5 | Very high | 58 Ų | 58 | 16.8 Ų | 16.8 | 41% | 0.406 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.8 | -172.5 | 45.1 | 0 | 0 | 0 | 0 | 114.6 | N155 Q348 | N155-S157 PolarHBondContact OD1-N 2.83Å; N155-S157 PolarHBondContact OD1-OG 3.33Å; S157-Q348 PolarHBondContact OG-OE1 2.95Å |
| 158 | Q | 88.3 | Confident | 91.6 | Very high | 17 Ų | 17 | 16 Ų | 16 | 8% | 0.079 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -85 | 149.7 | -177.3 | -63.5 | -167.4 | -30.9 | 0 | 0 | 113.5 | N155 T160 T165 D167 S246 | N155-Q158 HydrophobicContact CB-CG 3.83Å; Q158-T160 WeakPolarHBondContact O-CG2 3.48Å; Q158-T160 PolarHBondContact O-N 3.4Å; Q158-T165 HydrophobicContact CB-CG2 4.29Å; Q158-T165 PolarHBondContact OE1-OG1 2.79Å; Q158-T165 VanDerWaalsContact OE1-OG1 3.05Å; Q158-D167 PolarHBondContact NE2-OD2 2.81Å; Q158-S246 PolarHBondContact NE2-OG 2.95Å |
| 159 | V | 92.6 | Very high | 91.6 | Very high | 22 Ų | 22 | 16 Ų | 16 | 13% | 0.133 | 10% | 0.099 | C | C | . | . | trans | -66.3 | 134.8 | 168.4 | 178.8 | 0 | 0 | 0 | 0 | 109 | T104 F105 A108 T165 L166 | T104-V159 HydrophobicContact CG2-CG1 3.97Å; T104-V159 HydrophobicContact CG2-CG2 3.96Å; F105-V159 HydrophobicContact CB-CG1 4.04Å; F105-V159 HydrophobicContact CD2-CG1 4.05Å; F105-V159 HydrophobicContact CG-CG1 4.43Å; A108-V159 HydrophobicContact CB-CB 4.32Å; A108-V159 HydrophobicContact CB-CG1 4.23Å; A108-V159 HydrophobicContact CB-CG2 4.14Å; V159-T165 WeakPolarHBondContact O-CA 3.4Å; V159-L166 PolarHBondContact O-N 3.34Å | ||
| 160 | T | 91.5 | Very high | 91.6 | Very high | 30 Ų | 30 | 16.3 Ų | 16.3 | 18% | 0.184 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153 | -177.9 | 66.8 | 0 | 0 | 0 | 0 | 111 | Q158 F164 T165 Y217 | Q158-T160 WeakPolarHBondContact O-CG2 3.48Å; Q158-T160 PolarHBondContact O-N 3.4Å; T160-F164 WeakPolarHBondContact CA-O 3.44Å; T160-F164 WeakPolarHBondContact CB-O 3.33Å; T160-T165 HydrophobicContact CG2-CG2 3.96Å; T160-Y217 HydrophobicContact CG2-CE2 4Å |
| 161 | F | 89 | Confident | 91.6 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 2% | 0.022 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 130.9 | 168 | 174.4 | -117.9 | 0 | 0 | 0 | 108.8 | I57 V58 L61 V98 E101 V102 F105 E163 F164 | I57-F161 HydrophobicContact CG2-CE1 4.02Å; I57-F161 HydrophobicContact CG2-CZ 4.27Å; V58-F161 HydrophobicContact CG2-CD1 4.29Å; V58-F161 HydrophobicContact CG2-CE1 3.55Å; V58-F161 HydrophobicContact CG2-CZ 4.13Å; L61-F161 HydrophobicContact CD1-CD1 3.72Å; L61-F161 HydrophobicContact CD1-CE1 3.84Å; V98-F161 HydrophobicContact CG1-CE2 4.24Å; E101-F161 HydrophobicContact CB-CD2 4.28Å; V102-F161 HydrophobicContact CB-CD2 3.68Å; V102-F161 HydrophobicContact CB-CE1 4.38Å; V102-F161 HydrophobicContact CB-CE2 3.53Å; V102-F161 HydrophobicContact CB-CG 4.2Å; V102-F161 HydrophobicContact CB-CZ 3.9Å; V102-F161 HydrophobicContact CG2-CD1 4.02Å; V102-F161 HydrophobicContact CG2-CD2 4.05Å; V102-F161 HydrophobicContact CG2-CE1 3.7Å; V102-F161 HydrophobicContact CG2-CE2 3.76Å; V102-F161 HydrophobicContact CG2-CG 4.18Å; V102-F161 HydrophobicContact CG2-CZ 3.56Å; F105-F161 HydrophobicContact CB-CB 3.94Å; F105-F161 HydrophobicContact CD2-CB 3.6Å; F105-F161 HydrophobicContact CE2-CB 4.28Å; F105-F161 HydrophobicContact CG-CB 3.79Å; F161-E163 PolarHBondContact O-N 3.17Å; F161-F164 HydrophobicContact CD1-CZ 4.44Å; F161-F164 PolarHBondContact N-O 2.88Å; F161-F164 VanDerWaalsContact N-O 3.12Å; F161-F164 VanDerWaalsContact O-CD1 3.25Å; F161-F164 WeakPolarHBondContact O-CD1 3.34Å; F161-F164 WeakPolarHBondContact O-CE1 3.45Å; F161-F164 WeakPolarHBondContact O-CZ 3.31Å; F161-F164 PolarHBondContact O-N 2.99Å |
| 162 | G | 81 | Confident | 91.4 | Very high | 13 Ų | 13 | 16.6 Ų | 16.6 | 13% | 0.134 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F164 | G162-F164 VanDerWaalsContact C-N 3.32Å; G162-F164 WeakPolarHBondContact O-CD1 3.33Å; G162-F164 PolarHBondContact O-N 3.21Å |
| 163 | E | 84.6 | Confident | 91.1 | Very high | 73 Ų | 73 | 16.7 Ų | 16.7 | 34% | 0.341 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 32.7 | 178.9 | -54.5 | -179.6 | 164.6 | 0 | 0 | 114.4 | F4 F161 Y217 | F4-E163 WeakPolarHBondContact CB-OE2 3.37Å; F161-E163 PolarHBondContact O-N 3.17Å; E163-Y217 HydrophobicContact CB-CD1 3.87Å; E163-Y217 HydrophobicContact CB-CE1 4.49Å; E163-Y217 HydrophobicContact CB-CG 4.43Å; E163-Y217 HydrophobicContact CG-CD1 4.44Å; E163-Y217 WeakPolarHBondContact O-CB 3.4Å; E163-Y217 VanDerWaalsContact O-CG 3.3Å |
| 164 | F | 88.8 | Confident | 91 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.4 | 161.7 | 57 | -91.1 | 0 | 0 | 0 | 110.6 | V58 F105 T160 F161 G162 M168 Y169 | V58-F164 HydrophobicContact CG1-CE1 4.14Å; F105-F164 HydrophobicContact CE1-CE2 4.25Å; F105-F164 HydrophobicContact CE2-CD2 4.15Å; F105-F164 AromaticContact CE2-CE2 3.92Å; F105-F164 HydrophobicContact CE2-CE2 3.92Å; F105-F164 HydrophobicContact CZ-CD2 4.05Å; F105-F164 AromaticContact CZ-CE2 3.54Å; F105-F164 HydrophobicContact CZ-CE2 3.54Å; T160-F164 WeakPolarHBondContact CA-O 3.44Å; T160-F164 WeakPolarHBondContact CB-O 3.33Å; F161-F164 HydrophobicContact CD1-CZ 4.44Å; F161-F164 PolarHBondContact N-O 2.88Å; F161-F164 VanDerWaalsContact N-O 3.12Å; F161-F164 VanDerWaalsContact O-CD1 3.25Å; F161-F164 WeakPolarHBondContact O-CD1 3.34Å; F161-F164 WeakPolarHBondContact O-CE1 3.45Å; F161-F164 WeakPolarHBondContact O-CZ 3.31Å; F161-F164 PolarHBondContact O-N 2.99Å; G162-F164 VanDerWaalsContact C-N 3.32Å; G162-F164 WeakPolarHBondContact O-CD1 3.33Å; G162-F164 PolarHBondContact O-N 3.21Å; F164-M168 HydrophobicContact CB-CB 4.14Å; F164-M168 HydrophobicContact CB-CE 4.05Å; F164-M168 HydrophobicContact CB-SD 3.95Å; F164-Y169 HydrophobicContact CE2-CD2 4.37Å; F164-Y169 HydrophobicContact CE2-CG 4.48Å |
| 165 | T | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 161.8 | 175.8 | 74.2 | 0 | 0 | 0 | 0 | 111 | Q158 V159 T160 D167 M168 Y169 Y217 | Q158-T165 HydrophobicContact CB-CG2 4.29Å; Q158-T165 PolarHBondContact OE1-OG1 2.79Å; Q158-T165 VanDerWaalsContact OE1-OG1 3.05Å; V159-T165 WeakPolarHBondContact O-CA 3.4Å; T160-T165 HydrophobicContact CG2-CG2 3.96Å; T165-D167 PolarHBondContact O-N 2.85Å; T165-M168 HydrophobicContact CG2-SD 4.18Å; T165-M168 PolarHBondContact N-SD 3.08Å; T165-M168 VanDerWaalsContact N-SD 3.44Å; T165-M168 WeakPolarHBondContact O-CB 3.22Å; T165-M168 PolarHBondContact O-N 2.63Å; T165-M168 WeakPolarHBondContact OG1-CG 3.34Å; T165-M168 PolarHBondContact OG1-N 3.34Å; T165-Y169 PolarHBondContact O-N 2.76Å; T165-Y217 HydrophobicContact CG2-CD2 4.02Å; T165-Y217 HydrophobicContact CG2-CE2 3.82Å |
| 166 | L | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.2 | -38.7 | 174 | -175.3 | 63.3 | 0 | 0 | 0 | 111.9 | F105 A108 D109 V159 Y169 W170 R349 | F105-L166 HydrophobicContact CD1-CD1 4.47Å; F105-L166 HydrophobicContact CE1-CD1 3.93Å; F105-L166 HydrophobicContact CE2-CB 4.18Å; F105-L166 HydrophobicContact CE2-CD1 4.16Å; F105-L166 HydrophobicContact CZ-CB 4.46Å; F105-L166 HydrophobicContact CZ-CD1 3.74Å; A108-L166 HydrophobicContact CB-CD2 3.77Å; D109-L166 HydrophobicContact CB-CD1 4.01Å; V159-L166 PolarHBondContact O-N 3.34Å; L166-Y169 HydrophobicContact CD1-CD1 4.1Å; L166-Y169 WeakPolarHBondContact O-CB 3.3Å; L166-Y169 PolarHBondContact O-N 3.45Å; L166-W170 HydrophobicContact CD1-CZ2 4.25Å; L166-W170 HydrophobicContact CD2-CH2 3.64Å; L166-W170 HydrophobicContact CD2-CZ2 3.45Å; L166-W170 VanDerWaalsContact CD2-CZ2 3.45Å; L166-W170 HydrophobicContact CD2-CZ3 4.33Å; L166-W170 HydrophobicContact CG-CD2 4.1Å; L166-W170 HydrophobicContact CG-CE3 4.43Å; L166-W170 HydrophobicContact CG-CH2 4.1Å; L166-W170 HydrophobicContact CG-CZ2 3.74Å; L166-W170 HydrophobicContact CG-CZ3 4.43Å; L166-W170 PolarHBondContact O-N 3.07Å; L166-R349 HydrophobicContact CD2-CB 4.48Å; L166-R349 WeakPolarHBondContact CD2-O 3.37Å |
| 167 | D | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.3 | -80.4 | 18.8 | 0 | 0 | 0 | 112.4 | Q158 T165 Y169 W170 M171 Y244 S246 G350 S351 T354 | Q158-D167 PolarHBondContact NE2-OD2 2.81Å; T165-D167 PolarHBondContact O-N 2.85Å; D167-Y169 VanDerWaalsContact C-N 3.26Å; D167-Y169 PolarHBondContact O-N 3Å; D167-W170 PolarHBondContact O-N 3.34Å; D167-M171 WeakPolarHBondContact O-CG 3.47Å; D167-M171 PolarHBondContact O-N 2.58Å; D167-Y244 WeakPolarHBondContact CB-OH 3.39Å; D167-Y244 PolarHBondContact OD2-OH 3.4Å; D167-S246 PolarHBondContact OD2-OG 3.41Å; D167-G350 VanDerWaalsContact OD1-CA 3.25Å; D167-G350 WeakPolarHBondContact OD1-CA 3.43Å; D167-S351 PolarHBondContact OD1-N 3.05Å; D167-S351 WeakPolarHBondContact OD2-CB 3.39Å; D167-S351 PolarHBondContact OD2-N 2.83Å; D167-T354 HydrophobicContact CB-CG2 3.96Å |
| 168 | M | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 174.4 | -66.5 | 171.1 | 73.4 | 0 | 0 | 110.9 | I151 F164 T165 M171 L172 L215 Y217 | I151-M168 HydrophobicContact CG2-CB 4.11Å; I151-M168 HydrophobicContact CG2-CG 3.99Å; F164-M168 HydrophobicContact CB-CB 4.14Å; F164-M168 HydrophobicContact CB-CE 4.05Å; F164-M168 HydrophobicContact CB-SD 3.95Å; T165-M168 HydrophobicContact CG2-SD 4.18Å; T165-M168 PolarHBondContact N-SD 3.08Å; T165-M168 VanDerWaalsContact N-SD 3.44Å; T165-M168 WeakPolarHBondContact O-CB 3.22Å; T165-M168 PolarHBondContact O-N 2.63Å; T165-M168 WeakPolarHBondContact OG1-CG 3.34Å; T165-M168 PolarHBondContact OG1-N 3.34Å; M168-M171 PolarHBondContact O-N 3.2Å; M168-L172 VanDerWaalsContact O-CG 3.29Å; M168-L172 WeakPolarHBondContact O-CG 3.21Å; M168-L172 PolarHBondContact O-N 3.35Å; M168-L215 HydrophobicContact CB-CD2 4.23Å; M168-L215 HydrophobicContact CE-CB 3.91Å; M168-L215 HydrophobicContact CE-CD2 3.55Å; M168-L215 HydrophobicContact CE-CG 4.38Å; M168-Y217 HydrophobicContact SD-CD2 4.21Å |
| 169 | Y | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.4 | 166.3 | -100.8 | 0 | 0 | 0 | 112.4 | L61 L62 F105 D109 F164 T165 L166 D167 M171 L172 Q173 | L61-Y169 HydrophobicContact CB-CE2 4.37Å; L61-Y169 WeakPolarHBondContact O-CE2 3.36Å; L61-Y169 PolarHBondContact O-OH 2.89Å; L62-Y169 HydrophobicContact CD2-CD2 4.34Å; F105-Y169 HydrophobicContact CE1-CD1 4.08Å; F105-Y169 HydrophobicContact CE1-CE1 4.48Å; F105-Y169 HydrophobicContact CE1-CG 4.09Å; F105-Y169 HydrophobicContact CZ-CD1 4.09Å; F105-Y169 AromaticContact CZ-CG 3.86Å; F105-Y169 HydrophobicContact CZ-CG 3.86Å; D109-Y169 WeakPolarHBondContact OD1-CE1 3.45Å; F164-Y169 HydrophobicContact CE2-CD2 4.37Å; F164-Y169 HydrophobicContact CE2-CG 4.48Å; T165-Y169 PolarHBondContact O-N 2.76Å; L166-Y169 HydrophobicContact CD1-CD1 4.1Å; L166-Y169 WeakPolarHBondContact O-CB 3.3Å; L166-Y169 PolarHBondContact O-N 3.45Å; D167-Y169 VanDerWaalsContact C-N 3.26Å; D167-Y169 PolarHBondContact O-N 3Å; Y169-M171 VanDerWaalsContact C-N 3.34Å; Y169-M171 PolarHBondContact O-N 3.48Å; Y169-L172 WeakPolarHBondContact O-CB 3.36Å; Y169-L172 PolarHBondContact O-N 3.06Å; Y169-Q173 HydrophobicContact CD2-CG 4.49Å; Y169-Q173 HydrophobicContact CE1-CG 4.28Å; Y169-Q173 HydrophobicContact CE2-CG 4.06Å; Y169-Q173 VanDerWaalsContact CE2-NE2 3.3Å; Y169-Q173 WeakPolarHBondContact O-CG 3.48Å; Y169-Q173 PolarHBondContact O-N 3.18Å |
| 170 | W | 95 | Very high | 88.4 | Confident | 6 Ų | 6 | 20.6 Ų | 20.6 | 2% | 0.023 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.9 | -77 | -16.8 | 0 | 0 | 0 | 112.6 | D109 V111 L166 D167 L172 Q173 V174 T354 L355 H358 | D109-W170 PolarHBondContact OD1-NE1 3.33Å; V111-W170 HydrophobicContact CG2-CH2 4.41Å; V111-W170 HydrophobicContact CG2-CZ2 4.08Å; L166-W170 HydrophobicContact CD1-CZ2 4.25Å; L166-W170 HydrophobicContact CD2-CH2 3.64Å; L166-W170 HydrophobicContact CD2-CZ2 3.45Å; L166-W170 VanDerWaalsContact CD2-CZ2 3.45Å; L166-W170 HydrophobicContact CD2-CZ3 4.33Å; L166-W170 HydrophobicContact CG-CD2 4.1Å; L166-W170 HydrophobicContact CG-CE3 4.43Å; L166-W170 HydrophobicContact CG-CH2 4.1Å; L166-W170 HydrophobicContact CG-CZ2 3.74Å; L166-W170 HydrophobicContact CG-CZ3 4.43Å; L166-W170 PolarHBondContact O-N 3.07Å; D167-W170 PolarHBondContact O-N 3.34Å; W170-L172 VanDerWaalsContact C-N 3.34Å; W170-Q173 PolarHBondContact O-N 3.35Å; W170-V174 VanDerWaalsContact O-CG1 3.25Å; W170-V174 WeakPolarHBondContact O-CG1 3.17Å; W170-V174 PolarHBondContact O-N 3.42Å; W170-T354 HydrophobicContact CB-CG2 4.28Å; W170-T354 HydrophobicContact CE3-CG2 4.12Å; W170-L355 HydrophobicContact CE3-CB 4.35Å; W170-L355 HydrophobicContact CE3-CD1 4.44Å; W170-L355 HydrophobicContact CH2-CB 4.13Å; W170-L355 HydrophobicContact CH2-CD1 3.74Å; W170-L355 HydrophobicContact CH2-CG 4.34Å; W170-L355 HydrophobicContact CZ2-CD1 3.85Å; W170-L355 HydrophobicContact CZ3-CB 3.76Å; W170-L355 HydrophobicContact CZ3-CD1 4.06Å; W170-L355 HydrophobicContact CZ3-CG 4.43Å; W170-H358 HydrophobicContact CB-CB 3.85Å; W170-H358 AromaticContact CD1-CD2 3.49Å; W170-H358 VanDerWaalsContact CD1-CD2 3.49Å; W170-H358 AromaticContact CD1-CE1 3.66Å; W170-H358 AromaticContact CD1-CG 3.84Å; W170-H358 AromaticContact CD1-ND1 3.94Å; W170-H358 AromaticContact CD1-NE2 3.38Å; W170-H358 HydrophobicContact CD2-CB 4.46Å; W170-H358 HydrophobicContact CG-CB 4.1Å; W170-H358 AromaticContact CG-CD2 3.67Å; W170-H358 AromaticContact CG-CG 3.63Å; W170-H358 AromaticContact CG-ND1 3.88Å; W170-H358 AromaticContact CG-NE2 3.97Å; W170-H358 AromaticContact NE1-CD2 3.86Å; W170-H358 AromaticContact NE1-NE2 3.88Å; W170-H358 PolarHBondContact O-ND1 3.13Å |
| 171 | M | 95.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -34.9 | 175.3 | -70 | -53.5 | -58.3 | 0 | 0 | 112.4 | I151 D167 M168 Y169 V174 L175 Y244 I310 T354 L357 M418 | I151-M171 HydrophobicContact CD1-CB 4.22Å; I151-M171 HydrophobicContact CG2-CB 4.28Å; D167-M171 WeakPolarHBondContact O-CG 3.47Å; D167-M171 PolarHBondContact O-N 2.58Å; M168-M171 PolarHBondContact O-N 3.2Å; Y169-M171 VanDerWaalsContact C-N 3.34Å; Y169-M171 PolarHBondContact O-N 3.48Å; M171-V174 HydrophobicContact CE-CG2 4.11Å; M171-V174 VanDerWaalsContact O-CG2 3.27Å; M171-V174 WeakPolarHBondContact O-CG2 3.28Å; M171-V174 PolarHBondContact O-N 2.85Å; M171-V174 HydrophobicContact SD-CG2 4.28Å; M171-L175 WeakPolarHBondContact O-CD1 3.47Å; M171-L175 VanDerWaalsContact O-CG 3.29Å; M171-L175 WeakPolarHBondContact O-CG 3.35Å; M171-L175 PolarHBondContact O-N 3.21Å; M171-Y244 HydrophobicContact CE-CD2 4.05Å; M171-Y244 HydrophobicContact CG-CD1 4.13Å; M171-Y244 HydrophobicContact CG-CD2 3.78Å; M171-Y244 HydrophobicContact CG-CE1 3.98Å; M171-Y244 HydrophobicContact CG-CE2 3.64Å; M171-Y244 HydrophobicContact CG-CG 4.03Å; M171-Y244 HydrophobicContact SD-CD2 4.06Å; M171-Y244 HydrophobicContact SD-CE2 3.99Å; M171-I310 HydrophobicContact CE-CD1 4.3Å; M171-T354 HydrophobicContact CG-CG2 3.92Å; M171-T354 HydrophobicContact SD-CG2 4.02Å; M171-L357 HydrophobicContact SD-CB 4.38Å; M171-M418 HydrophobicContact CE-SD 4.02Å |
| 172 | L | 92.8 | Very high | 84.8 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 172.3 | -77.8 | 166.2 | 0 | 0 | 0 | 111.7 | T12 L62 I151 M168 Y169 W170 V174 L175 E176 K213 L215 | T12-L172 HydrophobicContact CG2-CD2 4.29Å; T12-L172 WeakPolarHBondContact OG1-CD2 3.44Å; L62-L172 HydrophobicContact CD2-CD1 3.97Å; I151-L172 HydrophobicContact CD1-CD2 4.01Å; I151-L172 HydrophobicContact CD1-CG 4.16Å; M168-L172 VanDerWaalsContact O-CG 3.29Å; M168-L172 WeakPolarHBondContact O-CG 3.21Å; M168-L172 PolarHBondContact O-N 3.35Å; Y169-L172 WeakPolarHBondContact O-CB 3.36Å; Y169-L172 PolarHBondContact O-N 3.06Å; W170-L172 VanDerWaalsContact C-N 3.34Å; L172-V174 PolarHBondContact O-N 2.83Å; L172-L175 PolarHBondContact O-N 3.07Å; L172-E176 WeakPolarHBondContact O-CG 3.4Å; L172-K213 HydrophobicContact CD2-CB 4.44Å; L172-K213 HydrophobicContact CD2-CD 3.67Å; L172-L215 HydrophobicContact CD1-CD1 3.8Å; L172-L215 HydrophobicContact CD1-CD2 3.6Å; L172-L215 HydrophobicContact CD1-CG 4.29Å; L172-L215 HydrophobicContact CD2-CD1 3.87Å; L172-L215 HydrophobicContact CD2-CD2 3.95Å; L172-L215 HydrophobicContact CD2-CG 4.16Å; L172-L215 HydrophobicContact CG-CD1 4.34Å; L172-L215 HydrophobicContact CG-CD2 3.81Å |
| 173 | Q | 90.8 | Very high | 83.1 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -33 | -177.8 | -67.5 | -53.4 | -49 | 0 | 0 | 112.9 | L62 R127 Y169 W170 | L62-Q173 PolarHBondContact O-NE2 3.38Å; R127-Q173 WeakPolarHBondContact CA-O 3.21Å; R127-Q173 WeakPolarHBondContact CG-O 3.41Å; Y169-Q173 HydrophobicContact CD2-CG 4.49Å; Y169-Q173 HydrophobicContact CE1-CG 4.28Å; Y169-Q173 HydrophobicContact CE2-CG 4.06Å; Y169-Q173 VanDerWaalsContact CE2-NE2 3.3Å; Y169-Q173 WeakPolarHBondContact O-CG 3.48Å; Y169-Q173 PolarHBondContact O-N 3.18Å; W170-Q173 PolarHBondContact O-N 3.35Å |
| 174 | V | 92.9 | Very high | 81 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -87 | -16.5 | -173.6 | -53 | 0 | 0 | 0 | 0 | 112.4 | W170 M171 L172 E176 H358 F414 M418 | W170-V174 VanDerWaalsContact O-CG1 3.25Å; W170-V174 WeakPolarHBondContact O-CG1 3.17Å; W170-V174 PolarHBondContact O-N 3.42Å; M171-V174 HydrophobicContact CE-CG2 4.11Å; M171-V174 VanDerWaalsContact O-CG2 3.27Å; M171-V174 WeakPolarHBondContact O-CG2 3.28Å; M171-V174 PolarHBondContact O-N 2.85Å; M171-V174 HydrophobicContact SD-CG2 4.28Å; L172-V174 PolarHBondContact O-N 2.83Å; V174-E176 VanDerWaalsContact C-N 3.3Å; V174-H358 HydrophobicContact CG1-CB 4.29Å; V174-H358 WeakPolarHBondContact CG1-ND1 3.41Å; V174-F414 WeakPolarHBondContact O-CD1 3.24Å; V174-M418 HydrophobicContact CB-CE 3.77Å; V174-M418 HydrophobicContact CG2-CE 3.45Å; V174-M418 VanDerWaalsContact CG2-CE 3.45Å; V174-M418 HydrophobicContact CG2-SD 4.23Å |
| 175 | L | 92.9 | Very high | 78.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 21 | 176.2 | -63 | 172.6 | 0 | 0 | 0 | 112 | L146 A149 I151 M171 L172 P211 K213 L242 F414 | L146-L175 HydrophobicContact CD2-CD2 3.98Å; A149-L175 HydrophobicContact CB-CD1 3.87Å; I151-L175 HydrophobicContact CD1-CD1 3.99Å; M171-L175 WeakPolarHBondContact O-CD1 3.47Å; M171-L175 VanDerWaalsContact O-CG 3.29Å; M171-L175 WeakPolarHBondContact O-CG 3.35Å; M171-L175 PolarHBondContact O-N 3.21Å; L172-L175 PolarHBondContact O-N 3.07Å; L175-P211 HydrophobicContact CB-CG 4.37Å; L175-K213 HydrophobicContact CB-CD 4.26Å; L175-K213 WeakPolarHBondContact O-CE 3.49Å; L175-K213 PolarHBondContact O-NZ 3.08Å; L175-L242 HydrophobicContact CD1-CD2 3.79Å; L175-L242 HydrophobicContact CD2-CD2 3.71Å; L175-L242 HydrophobicContact CG-CD2 4.38Å; L175-F414 HydrophobicContact CD2-CB 4.22Å; L175-F414 HydrophobicContact CD2-CD1 4.41Å; L175-F414 HydrophobicContact CD2-CG 4.49Å |
| 176 | E | 89.7 | Confident | 76.1 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -125 | 143.4 | 175.8 | -68.5 | -68.8 | 157.6 | 0 | 0 | 110.5 | T15 R127 L128 L172 V174 N210 K213 | T15-E176 VanDerWaalsContact OG1-CD 3.3Å; T15-E176 PolarHBondContact OG1-OE2 3.4Å; R127-E176 CarbonylContact C-O 3.53Å; R127-E176 VanDerWaalsContact CA-O 3.31Å; R127-E176 WeakPolarHBondContact CA-O 3.49Å; R127-E176 WeakPolarHBondContact CB-O 3.31Å; R127-E176 HydrophobicContact CG-CB 4.14Å; R127-E176 VanDerWaalsContact NH1-CB 3.3Å; L128-E176 PolarHBondContact N-O 3.43Å; L172-E176 WeakPolarHBondContact O-CG 3.4Å; V174-E176 VanDerWaalsContact C-N 3.3Å; E176-N210 PolarHBondContact OE2-ND2 3.21Å; E176-K213 VanDerWaalsContact OE1-CE 3.28Å; E176-K213 WeakPolarHBondContact OE1-CE 3.39Å; E176-K213 IonicContact OE1-NZ 3.32Å; E176-K213 PolarHBondContact OE1-NZ 3.44Å |
| 177 | R | 86.2 | Confident | 73.4 | Confident | 40 Ų | 40 | 42 Ų | 42 | 15% | 0.151 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 154.1 | 168.5 | -68.1 | 179.6 | -176.5 | -80.9 | -4.3 | 111.4 | L128 N208 N210 F414 | L128-R177 HydrophobicContact CD2-CG 4.46Å; L128-R177 WeakPolarHBondContact O-CA 3.48Å; R177-N208 WeakPolarHBondContact CD-O 3.31Å; R177-N208 VanDerWaalsContact CZ-CG 3.42Å; R177-N208 PolarHBondContact NE-O 3.25Å; R177-N208 PolarHBondContact NH2-ND2 3.07Å; R177-N208 PolarHBondContact NH2-OD1 2.78Å; R177-N210 WeakPolarHBondContact CG-OD1 3.37Å; R177-N210 PolarHBondContact N-OD1 3.08Å; R177-F414 HydrophobicContact CG-CZ 3.88Å |
| 178 | E | 78 | Confident | 70.7 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 143.2 | 168.2 | -76.8 | -167.3 | 154.9 | 0 | 0 | 110.9 | S125 R127 L128 S129 | S125-E178 VanDerWaalsContact CB-OE1 3.25Å; S125-E178 WeakPolarHBondContact CB-OE1 3.22Å; S125-E178 PolarHBondContact OG-OE1 3.07Å; R127-E178 HydrophobicContact CB-CG 3.74Å; L128-E178 PolarHBondContact O-N 3.41Å; S129-E178 WeakPolarHBondContact CB-OE2 3.45Å |
| 179 | I | 72.4 | Confident | 68.4 | Low | 30 Ų | 30 | 55.9 Ų | 55.9 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 141.4 | 178.6 | -50 | 174.2 | 0 | 0 | 0 | 107.3 | T15 M19 L63 E181 D182 L183 | T15-I179 HydrophobicContact CG2-CD1 3.19Å; T15-I179 HydrophobicContact CG2-CG1 3.41Å; T15-I179 VanDerWaalsContact CG2-CG1 3.41Å; M19-I179 HydrophobicContact CG-CD1 3.99Å; M19-I179 HydrophobicContact SD-CD1 3.82Å; L63-I179 HydrophobicContact CD2-CD1 3.97Å; I179-E181 HydrophobicContact CG2-CB 4.46Å; I179-E181 PolarHBondContact O-N 3.17Å; I179-E181 VanDerWaalsContact O-N 3.07Å; I179-D182 WeakPolarHBondContact O-CA 3.41Å; I179-D182 WeakPolarHBondContact O-CB 3.3Å; I179-D182 PolarHBondContact O-N 3.46Å; I179-L183 PolarHBondContact O-N 2.66Å |
| 180 | E | 61.4 | Low | 66 | Low | 160 Ų | 160 | 61.5 Ų | 61.5 | 75% | 0.748 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.3 | -26.5 | -179.1 | -66.1 | -173.4 | 153.5 | 0 | 0 | 114 | D182 L183 | E180-D182 VanDerWaalsContact C-N 3.25Å; E180-D182 PolarHBondContact O-N 3.22Å; E180-L183 HydrophobicContact CB-CD1 4.01Å; E180-L183 HydrophobicContact CG-CD1 3.86Å; E180-L183 VanDerWaalsContact O-CB 3.26Å; E180-L183 WeakPolarHBondContact O-CB 3.13Å; E180-L183 PolarHBondContact O-N 3.01Å; E180-L183 VanDerWaalsContact O-N 3.1Å |
| 181 | E | 54.8 | Low | 63.3 | Low | 114 Ų | 114 | 67.3 Ų | 67.3 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 171.3 | -73.3 | -172 | 172.4 | 0 | 0 | 112.6 | M19 I179 L183 S184 | M19-E181 WeakPolarHBondContact CE-OE2 3.37Å; I179-E181 HydrophobicContact CG2-CB 4.46Å; I179-E181 PolarHBondContact O-N 3.17Å; I179-E181 VanDerWaalsContact O-N 3.07Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-S184 PolarHBondContact O-N 2.91Å; E181-S184 PolarHBondContact O-OG 3.43Å |
| 182 | D | 51 | Low | 60.6 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.7 | -23.2 | 177.3 | -62 | -31.9 | 0 | 0 | 0 | 111.5 | K65 I179 E180 S184 Y185 S186 | K65-D182 IonicContact NZ-OD1 2.67Å; I179-D182 WeakPolarHBondContact O-CA 3.41Å; I179-D182 WeakPolarHBondContact O-CB 3.3Å; I179-D182 PolarHBondContact O-N 3.46Å; E180-D182 VanDerWaalsContact C-N 3.25Å; E180-D182 PolarHBondContact O-N 3.22Å; D182-S184 PolarHBondContact O-N 3.05Å; D182-Y185 PolarHBondContact O-N 3.11Å; D182-Y185 VanDerWaalsContact O-N 3.11Å; D182-S186 PolarHBondContact O-N 3Å; D182-S186 PolarHBondContact O-OG 3.22Å |
| 183 | L | 46.2 | Very low | 58 | Low | 51 Ų | 51 | 76 Ų | 76 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -28.3 | 174.4 | -66.4 | 168.7 | 0 | 0 | 0 | 112.2 | I179 E180 E181 Y185 S186 N187 | I179-L183 PolarHBondContact O-N 2.66Å; E180-L183 HydrophobicContact CB-CD1 4.01Å; E180-L183 HydrophobicContact CG-CD1 3.86Å; E180-L183 VanDerWaalsContact O-CB 3.26Å; E180-L183 WeakPolarHBondContact O-CB 3.13Å; E180-L183 PolarHBondContact O-N 3.01Å; E180-L183 VanDerWaalsContact O-N 3.1Å; E181-L183 VanDerWaalsContact C-N 3.31Å; L183-Y185 PolarHBondContact O-N 3.24Å; L183-S186 WeakPolarHBondContact CA-OG 3.41Å; L183-S186 PolarHBondContact O-N 2.82Å; L183-N187 WeakPolarHBondContact O-CB 3.27Å; L183-N187 VanDerWaalsContact O-CG 3.27Å; L183-N187 PolarHBondContact O-N 2.88Å; L183-N187 PolarHBondContact O-ND2 3.15Å |
| 184 | S | 39.1 | Very low | 55.3 | Low | 70 Ų | 70 | 82.5 Ų | 82.5 | 49% | 0.49 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.1 | -28.9 | 177.3 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | E181 D182 | E181-S184 PolarHBondContact O-N 2.91Å; E181-S184 PolarHBondContact O-OG 3.43Å; D182-S184 PolarHBondContact O-N 3.05Å |
| 185 | Y | 40.4 | Very low | 52.6 | Low | 191 Ų | 191 | 85.6 Ų | 85.6 | 75% | 0.749 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -86.4 | -32.5 | 175.7 | -77.6 | -84.8 | 0 | 0 | 0 | 113 | D182 L183 | D182-Y185 PolarHBondContact O-N 3.11Å; D182-Y185 VanDerWaalsContact O-N 3.11Å; L183-Y185 PolarHBondContact O-N 3.24Å |
| 186 | S | 40.2 | Very low | 49.6 | Very low | 33 Ų | 33 | 91.6 Ų | 91.6 | 23% | 0.231 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -85 | -30.2 | 179 | 41.7 | 0 | 0 | 0 | 0 | 113.7 | D182 L183 H188 R189 | D182-S186 PolarHBondContact O-N 3Å; D182-S186 PolarHBondContact O-OG 3.22Å; L183-S186 WeakPolarHBondContact CA-OG 3.41Å; L183-S186 PolarHBondContact O-N 2.82Å; S186-H188 VanDerWaalsContact C-N 3.33Å; S186-H188 PolarHBondContact O-N 3.03Å; S186-R189 WeakPolarHBondContact O-CA 3.36Å; S186-R189 VanDerWaalsContact O-CB 3.28Å; S186-R189 WeakPolarHBondContact O-CB 3.43Å; S186-R189 PolarHBondContact O-N 3.32Å |
| 187 | N | 37.9 | Very low | 46.8 | Very low | 79 Ų | 79 | 94.7 Ų | 94.7 | 42% | 0.422 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -31.8 | 175.6 | -77.2 | -22 | 0 | 0 | 0 | 112.5 | L183 R189 L190 | L183-N187 WeakPolarHBondContact O-CB 3.27Å; L183-N187 VanDerWaalsContact O-CG 3.27Å; L183-N187 PolarHBondContact O-N 2.88Å; L183-N187 PolarHBondContact O-ND2 3.15Å; N187-R189 PolarHBondContact O-N 3.32Å; N187-L190 PolarHBondContact O-N 2.97Å |
| 188 | H | 39.1 | Very low | 44.2 | Very low | 165 Ų | 165 | 100.9 Ų | 100.9 | 76% | 0.764 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.9 | -14.3 | 169.7 | -89.1 | -45.9 | 0 | 0 | 0 | 113.7 | S186 | S186-H188 VanDerWaalsContact C-N 3.33Å; S186-H188 PolarHBondContact O-N 3.03Å |
| 189 | R | 46 | Very low | 41.9 | Very low | 127 Ų | 127 | 104 Ų | 104 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -86.6 | -18.6 | 177.1 | -63.4 | -178.7 | 162.5 | -159.1 | -8.2 | 113.9 | S186 N187 D379 | S186-R189 WeakPolarHBondContact O-CA 3.36Å; S186-R189 VanDerWaalsContact O-CB 3.28Å; S186-R189 WeakPolarHBondContact O-CB 3.43Å; S186-R189 PolarHBondContact O-N 3.32Å; N187-R189 PolarHBondContact O-N 3.32Å; R189-D379 IonicContact NH1-OD1 2.86Å |
| 190 | L | 43.7 | Very low | 40.2 | Very low | 118 Ų | 118 | 110.7 Ų | 110.7 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -105.1 | -12.1 | -175.7 | -69.3 | 169.9 | 0 | 0 | 0 | 113.8 | N187 S192 | N187-L190 PolarHBondContact O-N 2.97Å; L190-S192 PolarHBondContact O-N 2.89Å |
| 191 | D | 38.3 | Very low | 38.8 | Very low | 129 Ų | 129 | 109.9 Ų | 109.9 | 69% | 0.69 | 61% | 0.612 | S | S | * | * | trans | -87.7 | 46.3 | -175.4 | -154 | 20.3 | 0 | 0 | 0 | 114 | ||||
| 192 | S | 38.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 109.9 Ų | 109.9 | 81% | 0.811 | 62% | 0.62 | S | S | * | * | trans | -99.4 | 15.1 | 167.3 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | L190 | L190-S192 PolarHBondContact O-N 2.89Š| ||
| 193 | S | 37.5 | Very low | 37.2 | Very low | 74 Ų | 74 | 114.2 Ų | 114.2 | 52% | 0.517 | 65% | 0.648 | S | S | . | * | trans | -98.3 | 122.1 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | A195 | S193-A195 PolarHBondContact O-N 3.01Š| ||
| 194 | P | 35 | Very low | 36.8 | Very low | 138 Ų | 138 | 116.2 Ų | 116.2 | 90% | 0.896 | 66% | 0.659 | S | S | * | * | trans | -75.5 | 16.9 | -179.5 | 31.1 | -34 | 0 | 0 | 0 | 113.9 | ||||
| 195 | A | 35.4 | Very low | 36.9 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 56% | 0.562 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -98.3 | 126 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S193 G197 | S193-A195 PolarHBondContact O-N 3.01Å; A195-G197 PolarHBondContact O-N 2.91Å |
| 196 | P | 31 | Very low | 36.9 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 83% | 0.825 | 68% | 0.677 | S | S | * | * | trans | -66.4 | 126.3 | -177.5 | 26.2 | -32.1 | 0 | 0 | 0 | 111.6 | K198 | P196-K198 PolarHBondContact O-N 2.98Š| ||
| 197 | G | 31.4 | Very low | 37.2 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | 25.9 | 87.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | A195 S199 | A195-G197 PolarHBondContact O-N 2.91Å; G197-S199 PolarHBondContact O-N 3.43Å | ||
| 198 | K | 29.9 | Very low | 38.1 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | trans | -82.9 | 97.3 | 144.6 | -80.8 | -175.7 | 177.9 | 178.8 | 0 | 107.1 | P196 F200 | P196-K198 PolarHBondContact O-N 2.98Å; K198-F200 HydrophobicContact CB-CD2 3.93Å; K198-F200 HydrophobicContact CB-CE2 3.67Å; K198-F200 HydrophobicContact CB-CZ 4.27Å; K198-F200 HydrophobicContact CD-CE2 4.26Å; K198-F200 HydrophobicContact CD-CZ 4.05Å; K198-F200 WeakPolarHBondContact O-CD2 3.34Å; K198-F200 PolarHBondContact O-N 3Å | ||
| 199 | S | 29.7 | Very low | 39.8 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -58.5 | 92.2 | 154.6 | 53.7 | 0 | 0 | 0 | 0 | 106.5 | G197 N201 | G197-S199 PolarHBondContact O-N 3.43Å; S199-N201 PolarHBondContact O-N 2.81Å; S199-N201 VanDerWaalsContact O-N 3.09Å | ||
| 200 | F | 37.6 | Very low | 41.7 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 75% | 0.75 | 69% | 0.685 | S | S | * | * | trans | -64.9 | 113.7 | 170.3 | -80.9 | -87.1 | 0 | 0 | 0 | 106 | K198 T202 | K198-F200 HydrophobicContact CB-CD2 3.93Å; K198-F200 HydrophobicContact CB-CE2 3.67Å; K198-F200 HydrophobicContact CB-CZ 4.27Å; K198-F200 HydrophobicContact CD-CE2 4.26Å; K198-F200 HydrophobicContact CD-CZ 4.05Å; K198-F200 WeakPolarHBondContact O-CD2 3.34Å; K198-F200 PolarHBondContact O-N 3Å; F200-T202 PolarHBondContact O-N 2.79Å; F200-T202 VanDerWaalsContact O-N 3.1Å | ||
| 201 | N | 31.6 | Very low | 43.9 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 77% | 0.765 | 66% | 0.657 | S | S | * | * | trans | -37.8 | 121.2 | 170.9 | -75 | -24 | 0 | 0 | 0 | 108.7 | S199 V203 | S199-N201 PolarHBondContact O-N 2.81Å; S199-N201 VanDerWaalsContact O-N 3.09Å; N201-V203 VanDerWaalsContact C-N 3.32Å; N201-V203 PolarHBondContact O-N 3.37Å | ||
| 202 | T | 34.2 | Very low | 46.4 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 69% | 0.693 | 64% | 0.643 | S | S | * | * | trans | -41.5 | 98.6 | 166 | 42.5 | 0 | 0 | 0 | 0 | 108.3 | F200 D204 | F200-T202 PolarHBondContact O-N 2.79Å; F200-T202 VanDerWaalsContact O-N 3.1Å; T202-D204 PolarHBondContact O-N 3.18Å | ||
| 203 | V | 37.7 | Very low | 48.9 | Very low | 130 Ų | 130 | 112.3 Ų | 112.3 | 79% | 0.788 | 61% | 0.605 | S | S | * | * | trans | -68.7 | 95 | 171.3 | -179.3 | 0 | 0 | 0 | 0 | 104.9 | N201 | N201-V203 VanDerWaalsContact C-N 3.32Å; N201-V203 PolarHBondContact O-N 3.37Å | ||
| 204 | D | 39.4 | Very low | 51.5 | Low | 94 Ų | 94 | 109 Ų | 109 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | trans | 34.5 | 94.4 | 169.2 | -63.3 | -42.5 | 0 | 0 | 0 | 115.8 | T202 Y206 Y207 | T202-D204 PolarHBondContact O-N 3.18Å; D204-Y206 PolarHBondContact O-N 3.03Å; D204-Y207 HydrophobicContact CB-CD2 4.25Å | ||
| 205 | E | 40 | Very low | 54.3 | Low | 177 Ų | 177 | 103 Ų | 103 | 83% | 0.827 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -3.3 | 167.1 | -79.5 | 178.7 | 144 | 0 | 0 | 114.6 | ||
| 206 | Y | 40 | Very low | 57.2 | Low | 200 Ų | 200 | 100.1 Ų | 100.1 | 78% | 0.784 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -2.5 | -168.7 | -80.7 | -81.4 | 0 | 0 | 0 | 116.4 | D204 | D204-Y206 PolarHBondContact O-N 3.03Š|
| 207 | Y | 47.3 | Very low | 60.2 | Low | 176 Ų | 176 | 97.3 Ų | 97.3 | 69% | 0.69 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -124.1 | -2.6 | -165.7 | -77.7 | -75.1 | 0 | 0 | 0 | 119.2 | D204 | D204-Y207 HydrophobicContact CB-CD2 4.25Š|
| 208 | N | 57.5 | Low | 63.1 | Low | 91 Ų | 91 | 96.8 Ų | 96.8 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | trans | -124 | 52 | -161.2 | -86.8 | -22.7 | 0 | 0 | 0 | 115.6 | R177 | R177-N208 WeakPolarHBondContact CD-O 3.31Å; R177-N208 VanDerWaalsContact CZ-CG 3.42Å; R177-N208 PolarHBondContact NE-O 3.25Å; R177-N208 PolarHBondContact NH2-ND2 3.07Å; R177-N208 PolarHBondContact NH2-OD1 2.78Å | ||
| 209 | E | 73.6 | Confident | 66.2 | Low | 164 Ų | 164 | 88.8 Ų | 88.8 | 77% | 0.766 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 144.3 | 163.8 | -66.7 | -172.5 | 163.1 | 0 | 0 | 111.1 | ||
| 210 | N | 85.7 | Confident | 69.2 | Low | 25 Ų | 25 | 84.9 Ų | 84.9 | 13% | 0.134 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 144.1 | 169.3 | -70.9 | -52 | 0 | 0 | 0 | 109.7 | E176 R177 | E176-N210 PolarHBondContact OE2-ND2 3.21Å; R177-N210 WeakPolarHBondContact CG-OD1 3.37Å; R177-N210 PolarHBondContact N-OD1 3.08Å |
| 211 | P | 90.8 | Very high | 71.9 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 3% | 0.032 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 147 | 175 | 28.2 | -36.7 | 0 | 0 | 0 | 110.1 | L146 L175 K213 F414 | L146-P211 HydrophobicContact CD2-CB 4.03Å; L146-P211 HydrophobicContact CD2-CG 3.93Å; L146-P211 HydrophobicContact CG-CB 3.83Å; L146-P211 HydrophobicContact CG-CG 4.29Å; L175-P211 HydrophobicContact CB-CG 4.37Å; P211-K213 WeakPolarHBondContact O-CG 3.37Å; P211-K213 PolarHBondContact O-NZ 3.33Å; P211-F414 HydrophobicContact CG-CD2 4.34Å; P211-F414 HydrophobicContact CG-CE2 4.26Å |
| 212 | R | 90.9 | Very high | 74.8 | Confident | 105 Ų | 105 | 77.4 Ų | 77.4 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 138.9 | 173 | -66.9 | -168.9 | -63.4 | -108 | 3 | 109 | A147 E148 A149 E234 | A147-R212 PolarHBondContact O-N 3.06Å; E148-R212 CarbonylContact C-O 3.54Å; E148-R212 WeakPolarHBondContact CA-O 3.34Å; E148-R212 IonicContact OE1-CZ 2.67Å; E148-R212 IonicContact OE1-NE 3.75Å; E148-R212 PolarHBondContact OE1-NE 3.33Å; E148-R212 IonicContact OE1-NH2 3.65Å; E148-R212 PolarHBondContact OE1-NH2 2.88Å; E148-R212 WeakPolarHBondContact OE2-CB 3.37Å; A149-R212 PolarHBondContact N-O 3.46Å; R212-E234 IonicContact CZ-OE2 3.33Å; R212-E234 IonicContact NE-OE2 3.94Å; R212-E234 IonicContact NH2-OE2 3.36Å |
| 213 | K | 91.3 | Very high | 77.7 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.3 | -172.3 | -54.4 | 179.5 | -172.1 | 65.5 | 0 | 110.8 | T12 A149 L172 L175 E176 P211 | T12-K213 WeakPolarHBondContact OG1-CB 3.42Å; A149-K213 HydrophobicContact CB-CG 4.36Å; A149-K213 CarbonylContact O-C 3.58Å; A149-K213 VanDerWaalsContact O-CA 3.29Å; A149-K213 WeakPolarHBondContact O-CA 3.36Å; L172-K213 HydrophobicContact CD2-CB 4.44Å; L172-K213 HydrophobicContact CD2-CD 3.67Å; L175-K213 HydrophobicContact CB-CD 4.26Å; L175-K213 WeakPolarHBondContact O-CE 3.49Å; L175-K213 PolarHBondContact O-NZ 3.08Å; E176-K213 VanDerWaalsContact OE1-CE 3.28Å; E176-K213 WeakPolarHBondContact OE1-CE 3.39Å; E176-K213 IonicContact OE1-NZ 3.32Å; E176-K213 PolarHBondContact OE1-NZ 3.44Å; P211-K213 WeakPolarHBondContact O-CG 3.37Å; P211-K213 PolarHBondContact O-NZ 3.33Å |
| 214 | S | 92.6 | Very high | 80.5 | Confident | 5 Ų | 5 | 69 Ų | 69 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.1 | 172.7 | -62 | 0 | 0 | 0 | 0 | 108.8 | A149 I151 | A149-S214 PolarHBondContact O-N 3.26Å; I151-S214 PolarHBondContact N-O 2.88Å |
| 215 | L | 93.3 | Very high | 83.1 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125 | 178.6 | -70.3 | 145.7 | 0 | 0 | 0 | 110 | I10 T12 I151 M168 L172 | I10-L215 HydrophobicContact CB-CD1 4.1Å; I10-L215 HydrophobicContact CG2-CD1 4.26Å; I10-L215 WeakPolarHBondContact O-CD1 3.39Å; I10-L215 PolarHBondContact O-N 3.09Å; T12-L215 HydrophobicContact CG2-CD1 3.44Å; T12-L215 VanDerWaalsContact CG2-CD1 3.44Å; I151-L215 HydrophobicContact CB-CD2 4.13Å; I151-L215 HydrophobicContact CD1-CD2 4.37Å; I151-L215 HydrophobicContact CG2-CD2 4.22Å; M168-L215 HydrophobicContact CB-CD2 4.23Å; M168-L215 HydrophobicContact CE-CB 3.91Å; M168-L215 HydrophobicContact CE-CD2 3.55Å; M168-L215 HydrophobicContact CE-CG 4.38Å; L172-L215 HydrophobicContact CD1-CD1 3.8Å; L172-L215 HydrophobicContact CD1-CD2 3.6Å; L172-L215 HydrophobicContact CD1-CG 4.29Å; L172-L215 HydrophobicContact CD2-CD1 3.87Å; L172-L215 HydrophobicContact CD2-CD2 3.95Å; L172-L215 HydrophobicContact CD2-CG 4.16Å; L172-L215 HydrophobicContact CG-CD1 4.34Å; L172-L215 HydrophobicContact CG-CD2 3.81Å |
| 216 | L | 94.8 | Very high | 85.8 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 102.6 | 179.5 | -56 | -179.6 | 0 | 0 | 0 | 109.3 | V150 I151 V152 G153 P219 F224 Y227 | V150-L216 HydrophobicContact CG1-CD1 3.86Å; V150-L216 HydrophobicContact CG1-CG 4.46Å; I151-L216 PolarHBondContact O-N 3.31Å; V152-L216 WeakPolarHBondContact CA-O 3.24Å; V152-L216 HydrophobicContact CG2-CB 4.26Å; V152-L216 HydrophobicContact CG2-CD1 4.21Å; G153-L216 PolarHBondContact N-O 3.48Å; L216-P219 HydrophobicContact CB-CB 4.05Å; L216-P219 HydrophobicContact CB-CG 3.83Å; L216-F224 HydrophobicContact CD1-CD2 4.26Å; L216-Y227 HydrophobicContact CD2-CD1 4.46Å; L216-Y227 HydrophobicContact CD2-CD2 3.46Å; L216-Y227 VanDerWaalsContact CD2-CD2 3.46Å; L216-Y227 HydrophobicContact CD2-CE2 3.99Å; L216-Y227 HydrophobicContact CD2-CG 3.75Å |
| 217 | Y | 94 | Very high | 88.3 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.3 | 175.2 | 176.4 | -112.4 | 0 | 0 | 0 | 110.1 | G153 T160 E163 T165 M168 P219 | G153-Y217 WeakPolarHBondContact O-CA 3.19Å; G153-Y217 VanDerWaalsContact O-CD2 3.29Å; G153-Y217 WeakPolarHBondContact O-CD2 3.25Å; T160-Y217 HydrophobicContact CG2-CE2 4Å; E163-Y217 HydrophobicContact CB-CD1 3.87Å; E163-Y217 HydrophobicContact CB-CE1 4.49Å; E163-Y217 HydrophobicContact CB-CG 4.43Å; E163-Y217 HydrophobicContact CG-CD1 4.44Å; E163-Y217 WeakPolarHBondContact O-CB 3.4Å; E163-Y217 VanDerWaalsContact O-CG 3.3Å; T165-Y217 HydrophobicContact CG2-CD2 4.02Å; T165-Y217 HydrophobicContact CG2-CE2 3.82Å; M168-Y217 HydrophobicContact SD-CD2 4.21Å; Y217-P219 VanDerWaalsContact C-N 3.32Å |
| 218 | K | 93.4 | Very high | 90.6 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 44.2 | 49.3 | -176.9 | -65.7 | 177.4 | 177.2 | 171.1 | 0 | 113.7 | G153 L268 N269 | G153-K218 PolarHBondContact O-N 2.98Å; K218-L268 CarbonylContact C-O 3.58Å; K218-L268 VanDerWaalsContact CA-O 3.26Å; K218-L268 WeakPolarHBondContact CA-O 3.49Å; K218-N269 PolarHBondContact O-ND2 3.03Å |
| 219 | P | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | trans | -67.1 | 149.7 | -175.2 | 32.4 | -37.6 | 0 | 0 | 0 | 110.9 | V152 L216 Y217 Q223 F224 L268 N269 | V152-P219 HydrophobicContact CG1-CG 3.97Å; L216-P219 HydrophobicContact CB-CB 4.05Å; L216-P219 HydrophobicContact CB-CG 3.83Å; Y217-P219 VanDerWaalsContact C-N 3.32Å; P219-Q223 HydrophobicContact CB-CB 4.05Å; P219-F224 HydrophobicContact CB-CB 4.43Å; P219-F224 HydrophobicContact CG-CB 4.25Å; P219-L268 CarbonylContact O-C 3.45Å; P219-L268 WeakPolarHBondContact O-CB 3.25Å; P219-N269 WeakPolarHBondContact O-CB 3.45Å | ||
| 220 | T | 93.5 | Very high | 93.4 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.172 | 22% | 0.219 | C | C | . | . | trans | -64.5 | 158.3 | 161.3 | 69.6 | 0 | 0 | 0 | 0 | 110.2 | D222 Q223 F224 Q292 | T220-D222 PolarHBondContact O-N 3.33Å; T220-Q223 WeakPolarHBondContact O-CB 3.35Å; T220-Q223 PolarHBondContact O-N 2.82Å; T220-Q223 VanDerWaalsContact O-N 3.1Å; T220-Q223 VanDerWaalsContact OG1-CG 3.31Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.29Å; T220-Q223 PolarHBondContact OG1-N 2.89Å; T220-F224 PolarHBondContact O-N 3.01Å; T220-Q292 VanDerWaalsContact CA-OE1 3.25Å | ||
| 221 | F | 93.7 | Very high | 93.8 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.6 | -42.1 | 175.5 | -174.6 | -90.9 | 0 | 0 | 0 | 112.1 | Q223 F224 L225 L268 C293 L294 | F221-Q223 PolarHBondContact O-N 3.32Å; F221-F224 WeakPolarHBondContact O-CB 3.39Å; F221-F224 PolarHBondContact O-N 2.67Å; F221-L225 HydrophobicContact CE1-CD2 4.33Å; F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 PolarHBondContact O-N 2.85Å; F221-L268 HydrophobicContact CB-CD1 4.38Å; F221-L268 HydrophobicContact CD2-CD1 3.95Å; F221-C293 WeakPolarHBondContact CD2-O 3.48Å; F221-L294 HydrophobicContact CE2-CD1 4.29Å |
| 222 | D | 94 | Very high | 94 | Very high | 114 Ų | 114 | 50 Ų | 50 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.2 | -41 | 176.9 | -59.8 | -54.4 | 0 | 0 | 0 | 112.8 | T220 K226 | T220-D222 PolarHBondContact O-N 3.33Å; D222-K226 VanDerWaalsContact O-CB 3.25Å; D222-K226 WeakPolarHBondContact O-CB 3.5Å; D222-K226 PolarHBondContact O-N 2.79Å |
| 223 | Q | 94.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 51 Ų | 51 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 175.4 | -74.6 | 173.8 | -21.7 | 0 | 0 | 110.1 | P6 P219 T220 F221 L225 K226 Y227 | P6-Q223 PolarHBondContact O-NE2 2.61Å; P219-Q223 HydrophobicContact CB-CB 4.05Å; T220-Q223 WeakPolarHBondContact O-CB 3.35Å; T220-Q223 PolarHBondContact O-N 2.82Å; T220-Q223 VanDerWaalsContact O-N 3.1Å; T220-Q223 VanDerWaalsContact OG1-CG 3.31Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.29Å; T220-Q223 PolarHBondContact OG1-N 2.89Å; F221-Q223 PolarHBondContact O-N 3.32Å; Q223-L225 PolarHBondContact O-N 2.8Å; Q223-K226 PolarHBondContact O-N 2.87Å; Q223-Y227 WeakPolarHBondContact O-CD2 3.27Å; Q223-Y227 PolarHBondContact O-N 3.21Å |
| 224 | F | 96.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.5 | -53.2 | 175.9 | 168.5 | -98.1 | 0 | 0 | 0 | 111.4 | V152 L216 P219 T220 F221 K226 Y227 L228 L243 L245 L268 L294 L299 | V152-F224 HydrophobicContact CG2-CD2 4.05Å; V152-F224 HydrophobicContact CG2-CE2 4.07Å; L216-F224 HydrophobicContact CD1-CD2 4.26Å; P219-F224 HydrophobicContact CB-CB 4.43Å; P219-F224 HydrophobicContact CG-CB 4.25Å; T220-F224 PolarHBondContact O-N 3.01Å; F221-F224 WeakPolarHBondContact O-CB 3.39Å; F221-F224 PolarHBondContact O-N 2.67Å; F224-K226 VanDerWaalsContact C-N 3.34Å; F224-K226 PolarHBondContact O-N 2.93Å; F224-Y227 PolarHBondContact O-N 2.81Å; F224-L228 HydrophobicContact CE1-CD2 3.82Å; F224-L228 HydrophobicContact CE2-CD2 4.48Å; F224-L228 HydrophobicContact CZ-CD2 3.64Å; F224-L228 VanDerWaalsContact O-CB 3.32Å; F224-L228 WeakPolarHBondContact O-CB 3.41Å; F224-L228 PolarHBondContact O-N 3.31Å; F224-L243 HydrophobicContact CE2-CD1 4.12Å; F224-L243 HydrophobicContact CZ-CD2 4.36Å; F224-L245 HydrophobicContact CE2-CD2 4.06Å; F224-L268 HydrophobicContact CB-CD1 3.8Å; F224-L268 HydrophobicContact CD1-CD1 4.06Å; F224-L268 HydrophobicContact CG-CD1 3.87Å; F224-L294 HydrophobicContact CD1-CD1 4.31Å; F224-L294 HydrophobicContact CE1-CD1 3.55Å; F224-L294 HydrophobicContact CE1-CD2 3.98Å; F224-L294 HydrophobicContact CE1-CG 4.39Å; F224-L294 HydrophobicContact CE2-CD2 4.17Å; F224-L294 HydrophobicContact CZ-CD1 4.03Å; F224-L294 HydrophobicContact CZ-CD2 3.61Å; F224-L294 HydrophobicContact CZ-CG 4.48Å; F224-L299 HydrophobicContact CE1-CD2 4.28Å; F224-L299 HydrophobicContact CZ-CD2 4.03Å |
| 225 | L | 95.5 | Very high | 93.9 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | -178.2 | -174.4 | 64.4 | 0 | 0 | 0 | 111.8 | F221 Q223 Y227 L228 Y229 F302 | F221-L225 HydrophobicContact CE1-CD2 4.33Å; F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 PolarHBondContact O-N 2.85Å; Q223-L225 PolarHBondContact O-N 2.8Å; L225-Y227 PolarHBondContact O-N 2.96Å; L225-L228 PolarHBondContact O-N 3.42Å; L225-Y229 WeakPolarHBondContact O-CB 3.25Å; L225-Y229 PolarHBondContact O-N 3.29Å; L225-F302 HydrophobicContact CD1-CE2 4.21Å; L225-F302 HydrophobicContact CD1-CZ 3.83Å |
| 226 | K | 94.9 | Very high | 93.8 | Very high | 150 Ų | 150 | 56.3 Ų | 56.3 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.9 | -47.9 | 177.7 | 178.7 | -178.5 | 178.1 | 179.8 | 0 | 112.2 | D222 Q223 F224 R230 | D222-K226 VanDerWaalsContact O-CB 3.25Å; D222-K226 WeakPolarHBondContact O-CB 3.5Å; D222-K226 PolarHBondContact O-N 2.79Å; Q223-K226 PolarHBondContact O-N 2.87Å; F224-K226 VanDerWaalsContact C-N 3.34Å; F224-K226 PolarHBondContact O-N 2.93Å; K226-R230 WeakPolarHBondContact O-CB 3.29Å; K226-R230 PolarHBondContact O-N 2.74Å |
| 227 | Y | 93.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.4 | -37 | -178.6 | -80 | -76.2 | 0 | 0 | 0 | 112.4 | T7 S9 L216 Q223 F224 L225 S231 | T7-Y227 PolarHBondContact O-OH 3.27Å; S9-Y227 VanDerWaalsContact CB-CZ 3.41Å; S9-Y227 WeakPolarHBondContact CB-OH 3.33Å; S9-Y227 WeakPolarHBondContact OG-CE1 3.44Å; S9-Y227 PolarHBondContact OG-OH 2.81Å; S9-Y227 VanDerWaalsContact OG-OH 3.1Å; L216-Y227 HydrophobicContact CD2-CD1 4.46Å; L216-Y227 HydrophobicContact CD2-CD2 3.46Å; L216-Y227 VanDerWaalsContact CD2-CD2 3.46Å; L216-Y227 HydrophobicContact CD2-CE2 3.99Å; L216-Y227 HydrophobicContact CD2-CG 3.75Å; Q223-Y227 WeakPolarHBondContact O-CD2 3.27Å; Q223-Y227 PolarHBondContact O-N 3.21Å; F224-Y227 PolarHBondContact O-N 2.81Å; L225-Y227 PolarHBondContact O-N 2.96Å; Y227-S231 WeakPolarHBondContact O-CB 3.12Å; Y227-S231 PolarHBondContact O-N 2.94Å; Y227-S231 PolarHBondContact O-OG 2.87Å |
| 228 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174.3 | -177.7 | 62 | 0 | 0 | 0 | 111 | F224 L225 R230 S231 Y232 L241 L243 L299 F302 | F224-L228 HydrophobicContact CE1-CD2 3.82Å; F224-L228 HydrophobicContact CE2-CD2 4.48Å; F224-L228 HydrophobicContact CZ-CD2 3.64Å; F224-L228 VanDerWaalsContact O-CB 3.32Å; F224-L228 WeakPolarHBondContact O-CB 3.41Å; F224-L228 PolarHBondContact O-N 3.31Å; L225-L228 PolarHBondContact O-N 3.42Å; L228-R230 PolarHBondContact O-N 2.89Å; L228-S231 PolarHBondContact O-N 3.15Å; L228-Y232 WeakPolarHBondContact O-CB 3.36Å; L228-Y232 PolarHBondContact O-N 3.47Å; L228-L241 HydrophobicContact CD1-CD2 3.71Å; L228-L243 HydrophobicContact CD1-CD1 4.43Å; L228-L243 HydrophobicContact CD1-CD2 4.37Å; L228-L299 HydrophobicContact CD2-CD2 3.82Å; L228-F302 HydrophobicContact CB-CZ 4.5Å; L228-F302 HydrophobicContact CD2-CD1 4.22Å; L228-F302 HydrophobicContact CD2-CD2 3.7Å; L228-F302 HydrophobicContact CD2-CE1 4.01Å; L228-F302 HydrophobicContact CD2-CE2 3.46Å; L228-F302 VanDerWaalsContact CD2-CE2 3.46Å; L228-F302 HydrophobicContact CD2-CG 4.08Å; L228-F302 HydrophobicContact CD2-CZ 3.63Å; L228-F302 HydrophobicContact CG-CD1 4.04Å; L228-F302 HydrophobicContact CG-CD2 4.41Å; L228-F302 HydrophobicContact CG-CE1 3.78Å; L228-F302 HydrophobicContact CG-CE2 4.18Å; L228-F302 HydrophobicContact CG-CG 4.35Å; L228-F302 HydrophobicContact CG-CZ 3.85Å |
| 229 | Y | 95.9 | Very high | 93.5 | Very high | 122 Ų | 122 | 66.8 Ų | 66.8 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 177.1 | 179.6 | -94.4 | 0 | 0 | 0 | 112 | L225 S231 Y232 E233 | L225-Y229 WeakPolarHBondContact O-CB 3.25Å; L225-Y229 PolarHBondContact O-N 3.29Å; Y229-S231 PolarHBondContact O-N 3.4Å; Y229-Y232 CarbonylContact O-C 3.52Å; Y229-Y232 WeakPolarHBondContact O-CB 3.21Å; Y229-Y232 PolarHBondContact O-N 2.89Å; Y229-E233 HydrophobicContact CE1-CB 4.48Å; Y229-E233 WeakPolarHBondContact O-CB 3.37Å; Y229-E233 PolarHBondContact O-N 2.91Å |
| 230 | R | 93.8 | Very high | 93.7 | Very high | 114 Ų | 114 | 66.7 Ų | 66.7 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.4 | -178.6 | -176.6 | 178.4 | 164.5 | 8.9 | 112 | K226 L228 Y232 E233 E234 | K226-R230 WeakPolarHBondContact O-CB 3.29Å; K226-R230 PolarHBondContact O-N 2.74Å; L228-R230 PolarHBondContact O-N 2.89Å; R230-Y232 VanDerWaalsContact C-N 3.28Å; R230-Y232 PolarHBondContact O-N 2.83Å; R230-E233 PolarHBondContact O-N 3.31Å; R230-E234 WeakPolarHBondContact CG-OE1 3.28Å; R230-E234 IonicContact CZ-OE1 3.86Å; R230-E234 IonicContact NE-OE1 2.85Å; R230-E234 PolarHBondContact NE-OE1 3.09Å; R230-E234 IonicContact NH2-OE1 3.98Å; R230-E234 WeakPolarHBondContact O-CG 3.47Å; R230-E234 PolarHBondContact O-N 3.03Å; R230-E234 VanDerWaalsContact O-N 3.09Å |
| 231 | S | 93.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 177.9 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | V150 Y227 L228 Y229 E234 L235 | V150-S231 WeakPolarHBondContact CG2-OG 3.25Å; Y227-S231 WeakPolarHBondContact O-CB 3.12Å; Y227-S231 PolarHBondContact O-N 2.94Å; Y227-S231 PolarHBondContact O-OG 2.87Å; L228-S231 PolarHBondContact O-N 3.15Å; Y229-S231 PolarHBondContact O-N 3.4Å; S231-E234 PolarHBondContact O-N 2.86Å; S231-L235 WeakPolarHBondContact O-CG 2.88Å; S231-L235 PolarHBondContact O-N 3.06Å |
| 232 | Y | 94.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.6 | 174.7 | -89.9 | 0 | 0 | 0 | 113.3 | L228 Y229 R230 L235 F302 R304 K305 | L228-Y232 WeakPolarHBondContact O-CB 3.36Å; L228-Y232 PolarHBondContact O-N 3.47Å; Y229-Y232 CarbonylContact O-C 3.52Å; Y229-Y232 WeakPolarHBondContact O-CB 3.21Å; Y229-Y232 PolarHBondContact O-N 2.89Å; R230-Y232 VanDerWaalsContact C-N 3.28Å; R230-Y232 PolarHBondContact O-N 2.83Å; Y232-L235 WeakPolarHBondContact O-CB 3.38Å; Y232-L235 PolarHBondContact O-N 3.27Å; Y232-F302 HydrophobicContact CD1-CD1 4.48Å; Y232-F302 HydrophobicContact CD2-CB 4.33Å; Y232-F302 AromaticContact CD2-CD1 3.81Å; Y232-F302 HydrophobicContact CD2-CD1 3.81Å; Y232-F302 HydrophobicContact CE2-CD1 4.48Å; Y232-F302 AromaticContact CG-CD1 3.81Å; Y232-F302 HydrophobicContact CG-CD1 3.81Å; Y232-F302 HydrophobicContact CG-CE1 4.35Å; Y232-R304 WeakPolarHBondContact OH-CB 3.49Å; Y232-K305 HydrophobicContact CD2-CB 4.3Å; Y232-K305 HydrophobicContact CD2-CD 3.94Å; Y232-K305 HydrophobicContact CD2-CG 4.27Å; Y232-K305 HydrophobicContact CE1-CD 4.45Å; Y232-K305 HydrophobicContact CE2-CB 3.77Å; Y232-K305 HydrophobicContact CE2-CD 3.58Å; Y232-K305 HydrophobicContact CE2-CG 3.52Å; Y232-K305 PolarHBondContact O-NZ 2.87Å |
| 233 | E | 93.7 | Very high | 94.2 | Very high | 125 Ų | 125 | 58 Ų | 58 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 178.2 | -174.5 | -179.1 | -166.1 | 0 | 0 | 111.1 | Y229 R230 L235 | Y229-E233 HydrophobicContact CE1-CB 4.48Å; Y229-E233 WeakPolarHBondContact O-CB 3.37Å; Y229-E233 PolarHBondContact O-N 2.91Å; R230-E233 PolarHBondContact O-N 3.31Å; E233-L235 PolarHBondContact O-N 3.03Å |
| 234 | E | 88.4 | Confident | 94.5 | Very high | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.7 | -179.2 | -68.1 | 178.8 | -162.7 | 0 | 0 | 113.7 | R11 R212 R230 S231 A236 | R11-E234 IonicContact CZ-OE2 2.62Å; R11-E234 IonicContact NH2-OE1 3.62Å; R11-E234 IonicContact NH2-OE2 2.7Å; R11-E234 PolarHBondContact NH2-OE2 3.04Å; R212-E234 IonicContact CZ-OE2 3.33Å; R212-E234 IonicContact NE-OE2 3.94Å; R212-E234 IonicContact NH2-OE2 3.36Å; R230-E234 WeakPolarHBondContact CG-OE1 3.28Å; R230-E234 IonicContact CZ-OE1 3.86Å; R230-E234 IonicContact NE-OE1 2.85Å; R230-E234 PolarHBondContact NE-OE1 3.09Å; R230-E234 IonicContact NH2-OE1 3.98Å; R230-E234 WeakPolarHBondContact O-CG 3.47Å; R230-E234 PolarHBondContact O-N 3.03Å; R230-E234 VanDerWaalsContact O-N 3.09Å; S231-E234 PolarHBondContact O-N 2.86Å; E234-A236 PolarHBondContact O-N 3.37Å |
| 235 | L | 92.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 116.1 | 179.2 | -70.8 | 163.3 | 0 | 0 | 0 | 112.8 | A147 E148 S231 Y232 E233 R239 L241 K305 | A147-L235 HydrophobicContact CB-CD2 4.04Å; E148-L235 HydrophobicContact CB-CD2 4.23Å; E148-L235 HydrophobicContact CG-CD2 3.99Å; E148-L235 HydrophobicContact CG-CG 4.43Å; S231-L235 WeakPolarHBondContact O-CG 2.88Å; S231-L235 PolarHBondContact O-N 3.06Å; Y232-L235 WeakPolarHBondContact O-CB 3.38Å; Y232-L235 PolarHBondContact O-N 3.27Å; E233-L235 PolarHBondContact O-N 3.03Å; L235-R239 HydrophobicContact CD2-CB 3.83Å; L235-L241 HydrophobicContact CD1-CB 3.72Å; L235-L241 HydrophobicContact CD1-CD2 4.45Å; L235-K305 HydrophobicContact CB-CD 3.78Å; L235-K305 HydrophobicContact CD1-CD 4.07Å; L235-K305 PolarHBondContact O-NZ 3.38Å |
| 236 | A | 91 | Very high | 94.6 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -71.2 | 166.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112 | E234 R239 | E234-A236 PolarHBondContact O-N 3.37Å; A236-R239 HydrophobicContact CB-CG 3.84Å; A236-R239 VanDerWaalsContact O-CB 3.3Å; A236-R239 WeakPolarHBondContact O-CB 3.34Å; A236-R239 PolarHBondContact O-N 2.79Å |
| 237 | P | 89.4 | Confident | 94.6 | Very high | 108 Ų | 108 | 44.8 Ų | 44.8 | 70% | 0.701 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 145.2 | 171.6 | -25.6 | 35.5 | 0 | 0 | 0 | 112.1 | R239 | P237-R239 PolarHBondContact O-N 3.35Š|
| 238 | Y | 91.5 | Very high | 94.5 | Very high | 147 Ų | 147 | 45 Ų | 45 | 58% | 0.576 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 5.6 | -176.2 | -54.6 | -84.5 | 0 | 0 | 0 | 115.6 | F144 T145 | F144-Y238 VanDerWaalsContact CA-O 3.31Å; F144-Y238 WeakPolarHBondContact CA-O 3.24Å; F144-Y238 HydrophobicContact CD1-CD1 4.23Å; F144-Y238 HydrophobicContact CD2-CD1 4.39Å; F144-Y238 AromaticContact CE1-CD1 3.82Å; F144-Y238 HydrophobicContact CE1-CD1 3.82Å; F144-Y238 AromaticContact CE2-CD1 3.99Å; F144-Y238 HydrophobicContact CE2-CD1 3.99Å; F144-Y238 HydrophobicContact CE2-CE1 4.45Å; F144-Y238 AromaticContact CZ-CD1 3.69Å; F144-Y238 HydrophobicContact CZ-CD1 3.69Å; F144-Y238 HydrophobicContact CZ-CE1 4.15Å; T145-Y238 PolarHBondContact N-O 3.35Å |
| 239 | R | 95.4 | Very high | 94.3 | Very high | 104 Ų | 104 | 46.8 Ų | 46.8 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 136.9 | 170.8 | -58.9 | -55.2 | -170.1 | 149.3 | 4.3 | 110.3 | T145 A147 L235 A236 P237 | T145-R239 WeakPolarHBondContact O-CA 3.37Å; T145-R239 WeakPolarHBondContact OG1-CD 3.25Å; T145-R239 PolarHBondContact OG1-NE 2.93Å; T145-R239 PolarHBondContact OG1-NH1 3.44Å; A147-R239 HydrophobicContact CB-CB 3.73Å; A147-R239 HydrophobicContact CB-CG 4.1Å; L235-R239 HydrophobicContact CD2-CB 3.83Å; A236-R239 HydrophobicContact CB-CG 3.84Å; A236-R239 VanDerWaalsContact O-CB 3.3Å; A236-R239 WeakPolarHBondContact O-CB 3.34Å; A236-R239 PolarHBondContact O-N 2.79Å; P237-R239 PolarHBondContact O-N 3.35Å |
| 240 | I | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143 | -175.9 | -57.3 | 158 | 0 | 0 | 0 | 109.9 | F144 T145 L146 A147 E148 P306 F409 L415 | F144-I240 HydrophobicContact CB-CD1 3.59Å; F144-I240 HydrophobicContact CB-CG1 4.17Å; F144-I240 HydrophobicContact CD1-CD1 4.36Å; F144-I240 HydrophobicContact CD1-CG1 4.11Å; F144-I240 HydrophobicContact CG-CD1 4.37Å; T145-I240 PolarHBondContact O-N 3.21Å; L146-I240 HydrophobicContact CD1-CB 4.42Å; L146-I240 HydrophobicContact CD1-CG2 4.38Å; A147-I240 PolarHBondContact N-O 3.16Å; A147-I240 VanDerWaalsContact N-O 3.09Å; E148-I240 PolarHBondContact N-O 2.93Å; I240-P306 HydrophobicContact CB-CB 4.45Å; I240-P306 HydrophobicContact CG1-CB 3.86Å; I240-F409 HydrophobicContact CD1-CD1 3.6Å; I240-F409 HydrophobicContact CD1-CE1 4.18Å; I240-F409 HydrophobicContact CG1-CD1 4.09Å; I240-F409 HydrophobicContact CG1-CE1 4.15Å; I240-F409 HydrophobicContact CG2-CD1 4.07Å; I240-F409 HydrophobicContact CG2-CE1 3.86Å; I240-L415 HydrophobicContact CB-CD1 4.2Å; I240-L415 HydrophobicContact CD1-CD1 3.54Å; I240-L415 HydrophobicContact CG1-CD1 4.46Å; I240-L415 HydrophobicContact CG2-CD1 3.77Å |
| 241 | L | 97.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127 | 164.8 | 178 | 59.8 | 0 | 0 | 0 | 110.1 | E148 V150 L228 L235 P306 I307 M308 | E148-L241 HydrophobicContact CB-CD1 3.65Å; E148-L241 WeakPolarHBondContact O-CA 3.45Å; V150-L241 HydrophobicContact CG2-CD1 4.09Å; L228-L241 HydrophobicContact CD1-CD2 3.71Å; L235-L241 HydrophobicContact CD1-CB 3.72Å; L235-L241 HydrophobicContact CD1-CD2 4.45Å; L241-P306 PolarHBondContact N-O 2.75Å; L241-I307 HydrophobicContact CB-CG1 4.18Å; L241-I307 HydrophobicContact CD2-CD1 3.82Å; L241-I307 HydrophobicContact CD2-CG1 4.31Å; L241-I307 HydrophobicContact CG-CD1 4.21Å; L241-I307 HydrophobicContact CG-CG1 4.21Å; L241-I307 CarbonylContact O-C 3.57Å; L241-I307 VanDerWaalsContact O-CA 3.28Å; L241-I307 WeakPolarHBondContact O-CA 3.27Å; L241-I307 WeakPolarHBondContact O-CG1 3.48Å; L241-M308 PolarHBondContact O-N 3.18Å |
| 242 | L | 97.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126 | 164.5 | 176.3 | 64.3 | 0 | 0 | 0 | 108.9 | L146 E148 A149 V150 L175 M308 I310 L415 | L146-L242 HydrophobicContact CD1-CB 3.6Å; L146-L242 HydrophobicContact CD2-CB 4.47Å; L146-L242 HydrophobicContact CD2-CD2 4.36Å; E148-L242 PolarHBondContact O-N 2.89Å; A149-L242 CarbonylContact C-O 3.49Å; A149-L242 VanDerWaalsContact CA-O 3.3Å; A149-L242 WeakPolarHBondContact CA-O 2.93Å; A149-L242 HydrophobicContact CB-CB 4.19Å; A149-L242 HydrophobicContact CB-CD2 4.33Å; V150-L242 PolarHBondContact N-O 3.46Å; L175-L242 HydrophobicContact CD1-CD2 3.79Å; L175-L242 HydrophobicContact CD2-CD2 3.71Å; L175-L242 HydrophobicContact CG-CD2 4.38Å; L242-M308 WeakPolarHBondContact CA-O 3.4Å; L242-M308 HydrophobicContact CD1-CB 4.1Å; L242-M308 HydrophobicContact CD1-CG 4.1Å; L242-M308 HydrophobicContact CD1-SD 4.32Å; L242-I310 HydrophobicContact CD1-CD1 3.81Å; L242-I310 HydrophobicContact CD1-CG1 3.97Å; L242-L415 HydrophobicContact CD1-CD2 4.27Å; L242-L415 HydrophobicContact CD2-CD2 4.46Å |
| 243 | L | 98.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 106.6 | 173.1 | 178.9 | 59.2 | 0 | 0 | 0 | 109.2 | V150 V152 F224 L228 L245 L299 I307 M308 L309 I310 | V150-L243 HydrophobicContact CB-CD1 3.79Å; V150-L243 HydrophobicContact CG1-CD1 3.82Å; V152-L243 HydrophobicContact CG2-CD1 4.44Å; F224-L243 HydrophobicContact CE2-CD1 4.12Å; F224-L243 HydrophobicContact CZ-CD2 4.36Å; L228-L243 HydrophobicContact CD1-CD1 4.43Å; L228-L243 HydrophobicContact CD1-CD2 4.37Å; L243-L245 HydrophobicContact CD1-CD2 3.86Å; L243-L245 HydrophobicContact CD1-CG 4.29Å; L243-L245 HydrophobicContact CD2-CD1 4.14Å; L243-L245 HydrophobicContact CD2-CD2 4.41Å; L243-L245 HydrophobicContact CD2-CG 4.41Å; L243-L245 HydrophobicContact CG-CD1 4.2Å; L243-L245 HydrophobicContact CG-CD2 4.06Å; L243-L245 HydrophobicContact CG-CG 3.97Å; L243-L299 HydrophobicContact CD2-CD1 4.04Å; L243-L299 HydrophobicContact CD2-CD2 3.97Å; L243-I307 HydrophobicContact CB-CD1 4.33Å; L243-M308 PolarHBondContact N-O 3.36Å; L243-L309 CarbonylContact O-C 3.57Å; L243-L309 WeakPolarHBondContact O-CA 3.29Å; L243-I310 PolarHBondContact O-N 3.4Å |
| 244 | Y | 98.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.6 | 174.4 | 172.7 | -90.5 | 0 | 0 | 0 | 109.9 | V150 I151 V152 D167 M171 S246 I310 T354 | V150-Y244 PolarHBondContact O-N 3.17Å; I151-Y244 HydrophobicContact CB-CD1 4.48Å; I151-Y244 HydrophobicContact CG2-CD1 3.6Å; I151-Y244 HydrophobicContact CG2-CE1 4.21Å; I151-Y244 HydrophobicContact CG2-CG 4.42Å; V152-Y244 PolarHBondContact N-O 3.02Å; D167-Y244 WeakPolarHBondContact CB-OH 3.39Å; D167-Y244 PolarHBondContact OD2-OH 3.4Å; M171-Y244 HydrophobicContact CE-CD2 4.05Å; M171-Y244 HydrophobicContact CG-CD1 4.13Å; M171-Y244 HydrophobicContact CG-CD2 3.78Å; M171-Y244 HydrophobicContact CG-CE1 3.98Å; M171-Y244 HydrophobicContact CG-CE2 3.64Å; M171-Y244 HydrophobicContact CG-CG 4.03Å; M171-Y244 HydrophobicContact SD-CD2 4.06Å; M171-Y244 HydrophobicContact SD-CE2 3.99Å; Y244-S246 WeakPolarHBondContact OH-CB 3.49Å; Y244-I310 WeakPolarHBondContact CA-O 3.39Å; Y244-I310 HydrophobicContact CD2-CB 3.9Å; Y244-I310 HydrophobicContact CD2-CG2 3.68Å; Y244-I310 HydrophobicContact CE2-CG2 4.04Å; Y244-T354 HydrophobicContact CE2-CG2 4.37Å; Y244-T354 PolarHBondContact OH-OG1 3.31Å |
| 245 | L | 97.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 109.1 | -176.4 | -60.2 | 170.4 | 0 | 0 | 0 | 109.3 | V152 F224 L243 L266 L294 L299 I310 V311 D312 | V152-L245 HydrophobicContact CB-CD2 3.87Å; V152-L245 HydrophobicContact CG1-CD2 4.49Å; V152-L245 HydrophobicContact CG2-CD2 3.68Å; F224-L245 HydrophobicContact CE2-CD2 4.06Å; L243-L245 HydrophobicContact CD1-CD2 3.86Å; L243-L245 HydrophobicContact CD1-CG 4.29Å; L243-L245 HydrophobicContact CD2-CD1 4.14Å; L243-L245 HydrophobicContact CD2-CD2 4.41Å; L243-L245 HydrophobicContact CD2-CG 4.41Å; L243-L245 HydrophobicContact CG-CD1 4.2Å; L243-L245 HydrophobicContact CG-CD2 4.06Å; L243-L245 HydrophobicContact CG-CG 3.97Å; L245-L266 HydrophobicContact CB-CD1 3.85Å; L245-L266 HydrophobicContact CD1-CD1 3.85Å; L245-L266 HydrophobicContact CG-CD1 4.39Å; L245-L294 HydrophobicContact CD1-CD2 3.77Å; L245-L294 HydrophobicContact CD2-CD2 3.98Å; L245-L299 HydrophobicContact CD1-CD1 4.48Å; L245-I310 PolarHBondContact N-O 2.92Å; L245-V311 HydrophobicContact CD1-CG2 4.39Å; L245-D312 PolarHBondContact O-N 3.49Å |
| 246 | S | 96.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 108.7 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | V152 S154 N155 Q158 D167 Y244 D312 | V152-S246 PolarHBondContact O-N 3.05Å; S154-S246 PolarHBondContact N-O 3.26Å; N155-S246 PolarHBondContact N-O 3.46Å; Q158-S246 PolarHBondContact NE2-OG 2.95Å; D167-S246 PolarHBondContact OD2-OG 3.41Å; Y244-S246 WeakPolarHBondContact OH-CB 3.49Å; S246-D312 WeakPolarHBondContact CA-O 3.48Å |
| 247 | A | 95.1 | Very high | 81.5 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | trans | -153.9 | 159.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L266 D312 S313 | A247-L266 HydrophobicContact CB-CB 3.87Å; A247-L266 HydrophobicContact CB-CD2 4.4Å; A247-D312 PolarHBondContact N-O 2.96Å; A247-S313 WeakPolarHBondContact O-CB 3.38Å; A247-S313 PolarHBondContact O-OG 3.46Å | ||
| 248 | D | 92.1 | Very high | 80.1 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 144.6 | 173.3 | -64.5 | -32.8 | 0 | 0 | 0 | 110.4 | N155 S156 V267 | N155-D248 PolarHBondContact ND2-OD1 2.87Å; N155-D248 PolarHBondContact OD1-OD1 3.27Å; S156-D248 WeakPolarHBondContact CB-OD2 3.42Å; S156-D248 PolarHBondContact N-OD1 3.42Å; S156-D248 PolarHBondContact N-OD2 3.35Å; S156-D248 PolarHBondContact OG-OD2 3.46Å; D248-V267 PolarHBondContact O-N 2.65Å |
| 249 | A | 91.4 | Very high | 79.1 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 31% | 0.314 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 143.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | S314 S315 | A249-S314 WeakPolarHBondContact CB-OG 3.43Å; A249-S315 WeakPolarHBondContact CA-OG 3.43Å; A249-S315 VanDerWaalsContact CB-OG 3.25Å; A249-S315 WeakPolarHBondContact CB-OG 3.4Å |
| 250 | T | 87.5 | Confident | 78.1 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.8 | 160.4 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | G252 G265 V267 C293 | T250-G252 PolarHBondContact O-N 3.01Å; T250-G265 VanDerWaalsContact CG2-C 3.45Å; T250-G265 PolarHBondContact N-O 3.5Å; T250-G265 PolarHBondContact O-N 2.89Å; T250-V267 HydrophobicContact CG2-CG2 4.44Å; T250-C293 HydrophobicContact CG2-CB 3.81Å; T250-C293 WeakPolarHBondContact CG2-SG 3.44Å |
| 251 | Q | 71.8 | Confident | 77.3 | Confident | 184 Ų | 184 | 62.7 Ų | 62.7 | 86% | 0.86 | 34% | 0.336 | S | S | * | . | trans | -84 | 105.9 | 165.4 | -64 | -159.5 | 4.7 | 0 | 0 | 106.5 | ||||
| 252 | G | 59.9 | Low | 76.6 | Confident | 20 Ų | 20 | 67 Ų | 67 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | trans | -55 | 156.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T250 T254 Y295 | T250-G252 PolarHBondContact O-N 3.01Å; G252-T254 PolarHBondContact O-N 2.89Å; G252-T254 VanDerWaalsContact O-N 3.08Å; G252-Y295 VanDerWaalsContact CA-OH 3.29Å; G252-Y295 WeakPolarHBondContact CA-OH 3.41Å | ||
| 253 | A | 50.1 | Low | 75.7 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -61.5 | 116.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D290 | A253-D290 WeakPolarHBondContact CB-OD2 3.28Š|
| 254 | T | 50.1 | Low | 74.9 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | trans | 79.4 | 108.5 | 164.6 | 65.2 | 0 | 0 | 0 | 0 | 118.9 | G252 T256 | G252-T254 PolarHBondContact O-N 2.89Å; G252-T254 VanDerWaalsContact O-N 3.08Å; T254-T256 WeakPolarHBondContact CB-OG1 3.48Å; T254-T256 PolarHBondContact O-N 3.49Å | ||
| 255 | Q | 50.7 | Low | 74.6 | Confident | 191 Ų | 191 | 70.3 Ų | 70.3 | 89% | 0.893 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 2.2 | 158.8 | -66.7 | 175.6 | 10.7 | 0 | 0 | 113.9 | ||
| 256 | T | 49.5 | Very low | 74.4 | Confident | 123 Ų | 123 | 70.2 Ų | 70.2 | 76% | 0.755 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12.9 | -176.4 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | T254 | T254-T256 WeakPolarHBondContact CB-OG1 3.48Å; T254-T256 PolarHBondContact O-N 3.49Å |
| 257 | R | 54.2 | Low | 74.3 | Confident | 160 Ų | 160 | 71.7 Ų | 71.7 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | trans | -83.3 | 125.9 | 172.9 | -78.2 | -177.8 | 156.4 | 170.5 | -4.5 | 110 | D259 | R257-D259 PolarHBondContact O-N 3.44Š| ||
| 258 | S | 59.4 | Low | 74.2 | Confident | 130 Ų | 130 | 71.7 Ų | 71.7 | 91% | 0.909 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -66.7 | -14.1 | 177 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 259 | D | 71.2 | Confident | 74.1 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.353 | 38% | 0.384 | S | S | . | . | trans | -92.5 | 109.5 | -174.1 | -168.9 | 1.2 | 0 | 0 | 0 | 111.4 | R257 T261 W262 | R257-D259 PolarHBondContact O-N 3.44Å; D259-T261 VanDerWaalsContact CG-OG1 3.23Å; D259-T261 PolarHBondContact O-N 3.03Å; D259-T261 VanDerWaalsContact O-N 3.08Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.39Å; D259-T261 PolarHBondContact OD1-N 3.11Å; D259-T261 PolarHBondContact OD1-OG1 2.68Å; D259-T261 VanDerWaalsContact OD1-OG1 3.13Å; D259-T261 PolarHBondContact OD2-OG1 3.28Å; D259-W262 PolarHBondContact O-N 3.15Å; D259-W262 PolarHBondContact OD2-NE1 2.86Å | ||
| 260 | R | 75.5 | Confident | 73.1 | Confident | 168 Ų | 168 | 71.2 Ų | 71.2 | 63% | 0.634 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -60.5 | -17.8 | -178.3 | -67.8 | -176.5 | 175.7 | -174.3 | -1.3 | 113.1 | W262 C263 | R260-W262 PolarHBondContact O-N 3.08Å; R260-C263 PolarHBondContact O-N 3.11Å |
| 261 | T | 78.8 | Confident | 72.1 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -69.1 | -11.2 | -178.5 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | D259 P296 G297 | D259-T261 VanDerWaalsContact CG-OG1 3.23Å; D259-T261 PolarHBondContact O-N 3.03Å; D259-T261 VanDerWaalsContact O-N 3.08Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.39Å; D259-T261 PolarHBondContact OD1-N 3.11Å; D259-T261 PolarHBondContact OD1-OG1 2.68Å; D259-T261 VanDerWaalsContact OD1-OG1 3.13Å; D259-T261 PolarHBondContact OD2-OG1 3.28Å; T261-P296 WeakPolarHBondContact O-CD 3.44Å; T261-G297 PolarHBondContact O-N 3.26Å |
| 262 | W | 81.9 | Confident | 71.2 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 35% | 0.348 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -110.8 | 7.4 | 179.6 | -53.4 | 99.7 | 0 | 0 | 0 | 112.9 | D259 R260 Y295 D298 | D259-W262 PolarHBondContact O-N 3.15Å; D259-W262 PolarHBondContact OD2-NE1 2.86Å; R260-W262 PolarHBondContact O-N 3.08Å; W262-Y295 HydrophobicContact CE3-CD2 4.37Å; W262-Y295 HydrophobicContact CE3-CG 4.19Å; W262-Y295 WeakPolarHBondContact O-CD1 3.38Å; W262-Y295 WeakPolarHBondContact O-CE1 2.92Å; W262-D298 WeakPolarHBondContact CZ3-OD1 3.44Å |
| 263 | C | 80 | Confident | 70.6 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -98.8 | 136.6 | 175.9 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | R260 A318 | R260-C263 PolarHBondContact O-N 3.11Å; C263-A318 WeakPolarHBondContact O-CB 3.4Å |
| 264 | G | 82 | Confident | 70.5 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 19% | 0.186 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 69.6 | 77.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A318 | G264-A318 WeakPolarHBondContact O-CB 3.43Š|
| 265 | G | 90.2 | Very high | 70.4 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 177 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T250 L294 S315 | T250-G265 VanDerWaalsContact CG2-C 3.45Å; T250-G265 PolarHBondContact N-O 3.5Å; T250-G265 PolarHBondContact O-N 2.89Å; G265-L294 CarbonylContact C-O 3.58Å; G265-L294 VanDerWaalsContact CA-O 3.27Å; G265-L294 WeakPolarHBondContact CA-O 3.37Å; G265-S315 PolarHBondContact O-OG 2.84Å |
| 266 | L | 94.4 | Very high | 70.1 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.2 | 174.8 | -58.3 | 179.7 | 0 | 0 | 0 | 110.1 | L245 A247 L268 C293 L294 V311 S313 F319 | L245-L266 HydrophobicContact CB-CD1 3.85Å; L245-L266 HydrophobicContact CD1-CD1 3.85Å; L245-L266 HydrophobicContact CG-CD1 4.39Å; A247-L266 HydrophobicContact CB-CB 3.87Å; A247-L266 HydrophobicContact CB-CD2 4.4Å; L266-L268 PolarHBondContact O-N 2.89Å; L266-C293 CarbonylContact O-C 3.39Å; L266-C293 VanDerWaalsContact O-CA 3.23Å; L266-C293 WeakPolarHBondContact O-CA 3.38Å; L266-L294 HydrophobicContact CB-CB 4.4Å; L266-L294 PolarHBondContact N-O 3.24Å; L266-L294 PolarHBondContact O-N 2.59Å; L266-V311 HydrophobicContact CD1-CG1 3.9Å; L266-V311 HydrophobicContact CD2-CG1 4.28Å; L266-S313 WeakPolarHBondContact CD2-OG 3.45Å; L266-F319 HydrophobicContact CD1-CE2 3.81Å; L266-F319 HydrophobicContact CD1-CZ 3.66Å; L266-F319 HydrophobicContact CD2-CE2 4.17Å; L266-F319 HydrophobicContact CG-CE2 3.7Å; L266-F319 HydrophobicContact CG-CZ 3.79Å |
| 267 | V | 93.6 | Very high | 70 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 113.3 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | S154 D248 T250 | S154-V267 VanDerWaalsContact CB-O 3.26Å; S154-V267 WeakPolarHBondContact CB-O 3.38Å; D248-V267 PolarHBondContact O-N 2.65Å; T250-V267 HydrophobicContact CG2-CG2 4.44Å |
| 268 | L | 93.9 | Very high | 69.8 | Low | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -80.6 | -40.2 | 178.2 | -61.8 | 179.5 | 0 | 0 | 0 | 111.9 | V152 S154 K218 P219 F221 F224 L266 Q292 L294 | V152-L268 HydrophobicContact CG1-CD2 4.26Å; S154-L268 VanDerWaalsContact CB-O 3.24Å; S154-L268 WeakPolarHBondContact CB-O 3.46Å; S154-L268 PolarHBondContact OG-O 3.28Å; K218-L268 CarbonylContact C-O 3.58Å; K218-L268 VanDerWaalsContact CA-O 3.26Å; K218-L268 WeakPolarHBondContact CA-O 3.49Å; P219-L268 CarbonylContact O-C 3.45Å; P219-L268 WeakPolarHBondContact O-CB 3.25Å; F221-L268 HydrophobicContact CB-CD1 4.38Å; F221-L268 HydrophobicContact CD2-CD1 3.95Å; F224-L268 HydrophobicContact CB-CD1 3.8Å; F224-L268 HydrophobicContact CD1-CD1 4.06Å; F224-L268 HydrophobicContact CG-CD1 3.87Å; L266-L268 PolarHBondContact O-N 2.89Å; L268-Q292 WeakPolarHBondContact CB-O 3.49Å; L268-Q292 PolarHBondContact N-O 3.09Å; L268-L294 HydrophobicContact CD1-CB 4.06Å; L268-L294 HydrophobicContact CD2-CB 4.01Å; L268-L294 HydrophobicContact CD2-CD2 4.35Å; L268-L294 HydrophobicContact CG-CB 3.98Å |
| 269 | N | 88.9 | Confident | 69.4 | Low | 33 Ų | 33 | 69 Ų | 69 | 18% | 0.176 | 36% | 0.358 | C | S | . | . | trans | -140.1 | 97.7 | 178.4 | -168.4 | -26.7 | 0 | 0 | 0 | 112.4 | K218 P219 G271 | K218-N269 PolarHBondContact O-ND2 3.03Å; P219-N269 WeakPolarHBondContact O-CB 3.45Å; N269-G271 VanDerWaalsContact C-N 3.29Å; N269-G271 PolarHBondContact O-N 2.97Å; N269-G271 PolarHBondContact OD1-N 3.39Å | ||
| 270 | G | 72.3 | Confident | 68.2 | Low | 37 Ų | 37 | 67.5 Ų | 67.5 | 38% | 0.381 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F272 G273 | G270-F272 VanDerWaalsContact C-N 3.28Å; G270-F272 PolarHBondContact O-N 2.9Å; G270-G273 PolarHBondContact O-N 3.42Å |
| 271 | G | 66.4 | Low | 66.9 | Low | 38 Ų | 38 | 66.9 Ų | 66.9 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.8 | -28 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | N269 G273 Q274 N275 | N269-G271 VanDerWaalsContact C-N 3.29Å; N269-G271 PolarHBondContact O-N 2.97Å; N269-G271 PolarHBondContact OD1-N 3.39Å; G271-G273 VanDerWaalsContact C-N 3.31Å; G271-G273 PolarHBondContact O-N 2.77Å; G271-Q274 PolarHBondContact O-N 3.02Å; G271-N275 PolarHBondContact O-N 2.86Å |
| 272 | F | 52 | Low | 65.6 | Low | 98 Ų | 98 | 71 Ų | 71 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 176.8 | -127.8 | -88.2 | 0 | 0 | 0 | 112.1 | G270 M276 Q292 | G270-F272 VanDerWaalsContact C-N 3.28Å; G270-F272 PolarHBondContact O-N 2.9Å; F272-M276 PolarHBondContact O-N 3.07Å; F272-Q292 HydrophobicContact CB-CG 3.88Å; F272-Q292 HydrophobicContact CD1-CG 4.49Å; F272-Q292 HydrophobicContact CG-CG 4.08Å |
| 273 | G | 46.9 | Very low | 64.1 | Low | 16 Ų | 16 | 71.1 Ų | 71.1 | 17% | 0.165 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70 | -35.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G270 G271 R277 | G270-G273 PolarHBondContact O-N 3.42Å; G271-G273 VanDerWaalsContact C-N 3.31Å; G271-G273 PolarHBondContact O-N 2.77Å; G273-R277 VanDerWaalsContact O-CB 3.31Å; G273-R277 WeakPolarHBondContact O-CB 3.45Å; G273-R277 WeakPolarHBondContact O-CG 3.04Å; G273-R277 PolarHBondContact O-N 3.23Å |
| 274 | Q | 49.5 | Very low | 62.5 | Low | 137 Ų | 137 | 74.5 Ų | 74.5 | 64% | 0.64 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.1 | -46.7 | 179.2 | -71 | -177.5 | 26.7 | 0 | 0 | 111.7 | G271 M276 R277 D278 | G271-Q274 PolarHBondContact O-N 3.02Å; Q274-M276 VanDerWaalsContact C-N 3.28Å; Q274-M276 PolarHBondContact O-N 3.47Å; Q274-R277 PolarHBondContact O-N 3.23Å; Q274-D278 PolarHBondContact O-N 2.83Å |
| 275 | N | 47.2 | Very low | 60.8 | Low | 117 Ų | 117 | 74.8 Ų | 74.8 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.5 | -29.6 | -179.8 | -69.4 | -15.4 | 0 | 0 | 0 | 113.2 | G271 | G271-N275 PolarHBondContact O-N 2.86Å |
| 276 | M | 44.5 | Very low | 59 | Low | 79 Ų | 79 | 80.6 Ų | 80.6 | 39% | 0.389 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -83.3 | -30 | 175.3 | -81.8 | -85.9 | -93 | 0 | 0 | 113.2 | F272 Q274 D278 L279 A280 C288 | F272-M276 PolarHBondContact O-N 3.07Å; Q274-M276 VanDerWaalsContact C-N 3.28Å; Q274-M276 PolarHBondContact O-N 3.47Å; M276-D278 PolarHBondContact O-N 3.38Å; M276-L279 PolarHBondContact O-N 2.91Å; M276-A280 WeakPolarHBondContact O-CB 3.32Å; M276-A280 PolarHBondContact O-N 3.3Å; M276-C288 HydrophobicContact CE-CB 4.1Å; M276-C288 WeakPolarHBondContact CE-SG 3.35Å |
| 277 | R | 48 | Very low | 57.1 | Low | 144 Ų | 144 | 83.2 Ų | 83.2 | 54% | 0.543 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -31.8 | 175.2 | -84.5 | 172.6 | -173.1 | -169.6 | 2.8 | 112.6 | G273 Q274 L279 T285 | G273-R277 VanDerWaalsContact O-CB 3.31Å; G273-R277 WeakPolarHBondContact O-CB 3.45Å; G273-R277 WeakPolarHBondContact O-CG 3.04Å; G273-R277 PolarHBondContact O-N 3.23Å; Q274-R277 PolarHBondContact O-N 3.23Å; R277-L279 PolarHBondContact O-N 2.97Å; R277-T285 HydrophobicContact CB-CG2 4.34Å; R277-T285 HydrophobicContact CG-CG2 3.67Å |
| 278 | D | 49.5 | Very low | 55 | Low | 143 Ų | 143 | 82.8 Ų | 82.8 | 77% | 0.765 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.2 | 175.6 | -69.9 | -20.4 | 0 | 0 | 0 | 113.2 | Q274 M276 | Q274-D278 PolarHBondContact O-N 2.83Å; M276-D278 PolarHBondContact O-N 3.38Å |
| 279 | L | 50.9 | Low | 53.2 | Low | 152 Ų | 152 | 84.2 Ų | 84.2 | 80% | 0.796 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -12.2 | -173.9 | -68.7 | 172 | 0 | 0 | 0 | 114.8 | M276 R277 | M276-L279 PolarHBondContact O-N 2.91Å; R277-L279 PolarHBondContact O-N 2.97Å |
| 280 | A | 45.2 | Very low | 52.5 | Low | 36 Ų | 36 | 85 Ų | 85 | 30% | 0.298 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -125.7 | 145.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M276 M284 T285 | M276-A280 WeakPolarHBondContact O-CB 3.32Å; M276-A280 PolarHBondContact O-N 3.3Å; A280-M284 HydrophobicContact CB-CB 4.27Å; A280-T285 HydrophobicContact CB-CG2 4.43Å |
| 281 | E | 47.8 | Very low | 53 | Low | 155 Ų | 155 | 87.7 Ų | 87.7 | 72% | 0.724 | 49% | 0.488 | S | S | * | . | trans | -57.8 | 147.1 | 171 | -75.7 | -157.8 | 164 | 0 | 0 | 111.4 | S283 M284 | E281-S283 PolarHBondContact O-N 3.26Å; E281-M284 PolarHBondContact O-N 2.85Å | ||
| 282 | P | 51.8 | Low | 54.1 | Low | 113 Ų | 113 | 86.6 Ų | 86.6 | 73% | 0.734 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -12.9 | -170.3 | 19.6 | -31.7 | 0 | 0 | 0 | 115.5 | T285 | P282-T285 PolarHBondContact O-OG1 3.48Š|
| 283 | S | 51.2 | Low | 56 | Low | 94 Ų | 94 | 82 Ų | 82 | 66% | 0.657 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -24.9 | 175.2 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | E281 | E281-S283 PolarHBondContact O-N 3.26Š|
| 284 | M | 45.9 | Very low | 58.3 | Low | 123 Ų | 123 | 81.3 Ų | 81.3 | 61% | 0.606 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -15.9 | -179.1 | -67.5 | -123.7 | 77.5 | 0 | 0 | 113.1 | A280 E281 A287 C288 | A280-M284 HydrophobicContact CB-CB 4.27Å; E281-M284 PolarHBondContact O-N 2.85Å; M284-A287 PolarHBondContact O-N 3.21Å; M284-C288 PolarHBondContact O-N 2.89Å |
| 285 | T | 47.1 | Very low | 60.3 | Low | 23 Ų | 23 | 75.4 Ų | 75.4 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.9 | -34 | -172.4 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | R277 A280 P282 A289 | R277-T285 HydrophobicContact CB-CG2 4.34Å; R277-T285 HydrophobicContact CG-CG2 3.67Å; A280-T285 HydrophobicContact CB-CG2 4.43Å; P282-T285 PolarHBondContact O-OG1 3.48Å; T285-A289 PolarHBondContact O-N 3.23Å |
| 286 | D | 51.5 | Low | 62.5 | Low | 123 Ų | 123 | 70 Ų | 70 | 66% | 0.658 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.6 | -40.8 | 175.4 | -86 | -8 | 0 | 0 | 0 | 111.5 | C288 A289 D290 | D286-C288 VanDerWaalsContact C-N 3.3Å; D286-C288 PolarHBondContact O-N 2.88Å; D286-A289 PolarHBondContact O-N 3.46Å; D286-D290 PolarHBondContact O-N 2.73Å |
| 287 | A | 54.6 | Low | 64.7 | Low | 54 Ų | 54 | 66.8 Ų | 66.8 | 45% | 0.446 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M284 D290 | M284-A287 PolarHBondContact O-N 3.21Å; A287-D290 WeakPolarHBondContact O-CB 3.29Å |
| 288 | C | 49.9 | Very low | 66.8 | Low | 23 Ų | 23 | 61.8 Ų | 61.8 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -77.5 | -32.8 | 179.6 | -168.3 | 0 | 0 | 0 | 0 | 113.2 | M276 M284 D286 D290 V291 | M276-C288 HydrophobicContact CE-CB 4.1Å; M276-C288 WeakPolarHBondContact CE-SG 3.35Å; M284-C288 PolarHBondContact O-N 2.89Å; D286-C288 VanDerWaalsContact C-N 3.3Å; D286-C288 PolarHBondContact O-N 2.88Å; C288-D290 PolarHBondContact O-N 3.41Å; C288-V291 PolarHBondContact O-N 2.92Å |
| 289 | A | 56.4 | Low | 69 | Low | 30 Ų | 30 | 55 Ų | 55 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T285 D286 V291 Q292 C293 | T285-A289 PolarHBondContact O-N 3.23Å; D286-A289 PolarHBondContact O-N 3.46Å; A289-V291 VanDerWaalsContact C-N 3.29Å; A289-V291 PolarHBondContact O-N 3.37Å; A289-Q292 PolarHBondContact O-N 2.79Å; A289-C293 PolarHBondContact O-SG 3.11Å |
| 290 | D | 73.7 | Confident | 70.8 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -36.4 | 178.9 | -152.1 | 1.6 | 0 | 0 | 0 | 113.2 | A253 D286 A287 C288 Q292 C293 Y295 | A253-D290 WeakPolarHBondContact CB-OD2 3.28Å; D286-D290 PolarHBondContact O-N 2.73Å; A287-D290 WeakPolarHBondContact O-CB 3.29Å; C288-D290 PolarHBondContact O-N 3.41Å; D290-Q292 VanDerWaalsContact C-N 3.26Å; D290-Q292 PolarHBondContact O-N 2.82Å; D290-C293 WeakPolarHBondContact O-CB 3.45Å; D290-C293 PolarHBondContact O-N 3.26Å; D290-Y295 WeakPolarHBondContact OD1-CE2 3.14Å; D290-Y295 PolarHBondContact OD1-OH 3.37Å |
| 291 | V | 83 | Confident | 73 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.6 | -26.4 | -177.2 | -175.5 | 0 | 0 | 0 | 0 | 113.2 | C288 A289 | C288-V291 PolarHBondContact O-N 2.92Å; A289-V291 VanDerWaalsContact C-N 3.29Å; A289-V291 PolarHBondContact O-N 3.37Å |
| 292 | Q | 89.7 | Confident | 75.3 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 17.1 | 177.8 | -60.3 | -59.6 | -41.9 | 0 | 0 | 112.2 | T220 L268 F272 A289 D290 | T220-Q292 VanDerWaalsContact CA-OE1 3.25Å; L268-Q292 WeakPolarHBondContact CB-O 3.49Å; L268-Q292 PolarHBondContact N-O 3.09Å; F272-Q292 HydrophobicContact CB-CG 3.88Å; F272-Q292 HydrophobicContact CD1-CG 4.49Å; F272-Q292 HydrophobicContact CG-CG 4.08Å; A289-Q292 PolarHBondContact O-N 2.79Å; D290-Q292 VanDerWaalsContact C-N 3.26Å; D290-Q292 PolarHBondContact O-N 2.82Å |
| 293 | C | 92.2 | Very high | 77.3 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 148.9 | 175.8 | -65 | 0 | 0 | 0 | 0 | 111.3 | F221 T250 L266 A289 D290 Y295 | F221-C293 WeakPolarHBondContact CD2-O 3.48Å; T250-C293 HydrophobicContact CG2-CB 3.81Å; T250-C293 WeakPolarHBondContact CG2-SG 3.44Å; L266-C293 CarbonylContact O-C 3.39Å; L266-C293 VanDerWaalsContact O-CA 3.23Å; L266-C293 WeakPolarHBondContact O-CA 3.38Å; A289-C293 PolarHBondContact O-SG 3.11Å; D290-C293 WeakPolarHBondContact O-CB 3.45Å; D290-C293 PolarHBondContact O-N 3.26Å; C293-Y295 HydrophobicContact CB-CE2 3.84Å |
| 294 | L | 94.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.5 | 172 | 177 | 66.5 | 0 | 0 | 0 | 109.2 | F221 F224 L245 G265 L266 L268 D298 L299 | F221-L294 HydrophobicContact CE2-CD1 4.29Å; F224-L294 HydrophobicContact CD1-CD1 4.31Å; F224-L294 HydrophobicContact CE1-CD1 3.55Å; F224-L294 HydrophobicContact CE1-CD2 3.98Å; F224-L294 HydrophobicContact CE1-CG 4.39Å; F224-L294 HydrophobicContact CE2-CD2 4.17Å; F224-L294 HydrophobicContact CZ-CD1 4.03Å; F224-L294 HydrophobicContact CZ-CD2 3.61Å; F224-L294 HydrophobicContact CZ-CG 4.48Å; L245-L294 HydrophobicContact CD1-CD2 3.77Å; L245-L294 HydrophobicContact CD2-CD2 3.98Å; G265-L294 CarbonylContact C-O 3.58Å; G265-L294 VanDerWaalsContact CA-O 3.27Å; G265-L294 WeakPolarHBondContact CA-O 3.37Å; L266-L294 HydrophobicContact CB-CB 4.4Å; L266-L294 PolarHBondContact N-O 3.24Å; L266-L294 PolarHBondContact O-N 2.59Å; L268-L294 HydrophobicContact CD1-CB 4.06Å; L268-L294 HydrophobicContact CD2-CB 4.01Å; L268-L294 HydrophobicContact CD2-CD2 4.35Å; L268-L294 HydrophobicContact CG-CB 3.98Å; L294-D298 HydrophobicContact CD1-CB 3.8Å; L294-L299 HydrophobicContact CD1-CD2 4.05Å; L294-L299 HydrophobicContact CD1-CG 4.3Å; L294-L299 HydrophobicContact CD2-CD2 4.48Å |
| 295 | Y | 93 | Very high | 81.6 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | trans | -107.8 | 156 | 175 | -66.9 | -82.3 | 0 | 0 | 0 | 111.7 | G252 W262 D290 C293 G297 D298 | G252-Y295 VanDerWaalsContact CA-OH 3.29Å; G252-Y295 WeakPolarHBondContact CA-OH 3.41Å; W262-Y295 HydrophobicContact CE3-CD2 4.37Å; W262-Y295 HydrophobicContact CE3-CG 4.19Å; W262-Y295 WeakPolarHBondContact O-CD1 3.38Å; W262-Y295 WeakPolarHBondContact O-CE1 2.92Å; D290-Y295 WeakPolarHBondContact OD1-CE2 3.14Å; D290-Y295 PolarHBondContact OD1-OH 3.37Å; C293-Y295 HydrophobicContact CB-CE2 3.84Å; Y295-G297 PolarHBondContact O-N 3.08Å; Y295-G297 VanDerWaalsContact O-N 3.14Å; Y295-D298 PolarHBondContact N-OD2 3.41Å; Y295-D298 WeakPolarHBondContact O-CB 3.45Å; Y295-D298 PolarHBondContact O-N 3.17Å | ||
| 296 | P | 92.3 | Very high | 84 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -50.7 | -37.1 | 172.4 | -27.1 | 32.8 | 0 | 0 | 0 | 113.3 | T261 D298 L299 A318 F319 I322 | T261-P296 WeakPolarHBondContact O-CD 3.44Å; P296-D298 VanDerWaalsContact C-N 3.3Å; P296-D298 PolarHBondContact O-N 2.91Å; P296-L299 PolarHBondContact O-N 3.28Å; P296-A318 HydrophobicContact CG-CB 4.04Å; P296-A318 WeakPolarHBondContact CG-O 3.47Å; P296-F319 HydrophobicContact CB-CD1 4.13Å; P296-F319 HydrophobicContact CB-CE1 4.28Å; P296-F319 HydrophobicContact CB-CG 4.48Å; P296-F319 HydrophobicContact CG-CD1 3.95Å; P296-F319 HydrophobicContact CG-CD2 4.02Å; P296-F319 HydrophobicContact CG-CE1 3.98Å; P296-F319 HydrophobicContact CG-CE2 4.03Å; P296-F319 HydrophobicContact CG-CG 3.95Å; P296-F319 HydrophobicContact CG-CZ 4.01Å; P296-I322 HydrophobicContact CB-CD1 4.1Å; P296-I322 HydrophobicContact CB-CG1 4.11Å |
| 297 | G | 90.8 | Very high | 86.1 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -61.1 | -32.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | T261 Y295 L299 R300 | T261-G297 PolarHBondContact O-N 3.26Å; Y295-G297 PolarHBondContact O-N 3.08Å; Y295-G297 VanDerWaalsContact O-N 3.14Å; G297-L299 PolarHBondContact O-N 2.89Å; G297-R300 WeakPolarHBondContact O-CB 3.45Å; G297-R300 PolarHBondContact O-N 3.24Å |
| 298 | D | 92.5 | Very high | 88.2 | Confident | 39 Ų | 39 | 32.6 Ų | 32.6 | 21% | 0.209 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -67.8 | -25.6 | -178.8 | -62.1 | -46.2 | 0 | 0 | 0 | 112.3 | W262 L294 Y295 P296 R300 L301 | W262-D298 WeakPolarHBondContact CZ3-OD1 3.44Å; L294-D298 HydrophobicContact CD1-CB 3.8Å; Y295-D298 PolarHBondContact N-OD2 3.41Å; Y295-D298 WeakPolarHBondContact O-CB 3.45Å; Y295-D298 PolarHBondContact O-N 3.17Å; P296-D298 VanDerWaalsContact C-N 3.3Å; P296-D298 PolarHBondContact O-N 2.91Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-L301 WeakPolarHBondContact O-CD2 3.28Å |
| 299 | L | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -84.5 | -10.8 | -176.3 | -61.3 | -179.1 | 0 | 0 | 0 | 113.3 | F224 L228 L243 L245 L294 P296 G297 L301 F302 F303 L309 F319 | F224-L299 HydrophobicContact CE1-CD2 4.28Å; F224-L299 HydrophobicContact CZ-CD2 4.03Å; L228-L299 HydrophobicContact CD2-CD2 3.82Å; L243-L299 HydrophobicContact CD2-CD1 4.04Å; L243-L299 HydrophobicContact CD2-CD2 3.97Å; L245-L299 HydrophobicContact CD1-CD1 4.48Å; L294-L299 HydrophobicContact CD1-CD2 4.05Å; L294-L299 HydrophobicContact CD1-CG 4.3Å; L294-L299 HydrophobicContact CD2-CD2 4.48Å; P296-L299 PolarHBondContact O-N 3.28Å; G297-L299 PolarHBondContact O-N 2.89Å; L299-L301 VanDerWaalsContact C-N 3.26Å; L299-L301 PolarHBondContact O-N 2.87Å; L299-L301 VanDerWaalsContact O-N 3.11Å; L299-F302 HydrophobicContact CD2-CD2 4.42Å; L299-F302 WeakPolarHBondContact O-CB 3.46Å; L299-F302 PolarHBondContact O-N 3.41Å; L299-F303 HydrophobicContact CB-CE1 3.86Å; L299-F303 HydrophobicContact CB-CE2 4.42Å; L299-F303 HydrophobicContact CB-CZ 3.52Å; L299-F303 WeakPolarHBondContact O-CE1 3.5Å; L299-L309 HydrophobicContact CD1-CD2 3.45Å; L299-L309 VanDerWaalsContact CD1-CD2 3.45Å; L299-F319 HydrophobicContact CD1-CD1 4.33Å; L299-F319 HydrophobicContact CD1-CE1 3.92Å |
| 300 | R | 90.5 | Very high | 92.5 | Very high | 106 Ų | 106 | 30.1 Ų | 30.1 | 40% | 0.4 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -56.8 | -35.3 | -169.5 | -168.3 | 171.1 | 176.4 | 175.7 | -2.9 | 114 | G297 D298 F302 F303 Q325 F326 | G297-R300 WeakPolarHBondContact O-CB 3.45Å; G297-R300 PolarHBondContact O-N 3.24Å; D298-R300 VanDerWaalsContact C-N 3.34Å; R300-F302 VanDerWaalsContact C-N 3.28Å; R300-F302 PolarHBondContact O-N 2.89Å; R300-F303 HydrophobicContact CB-CE2 4.5Å; R300-F303 PolarHBondContact O-N 3.44Å; R300-Q325 VanDerWaalsContact CZ-NE2 3.32Å; R300-F326 WeakPolarHBondContact O-CE2 3.25Å |
| 301 | L | 91.4 | Very high | 93.7 | Very high | 93 Ų | 93 | 27.7 Ų | 27.7 | 49% | 0.487 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -69.8 | -23.9 | 179.2 | 62.4 | 120.6 | 0 | 0 | 0 | 113.8 | D298 L299 F303 | D298-L301 WeakPolarHBondContact O-CD2 3.28Å; L299-L301 VanDerWaalsContact C-N 3.26Å; L299-L301 PolarHBondContact O-N 2.87Å; L299-L301 VanDerWaalsContact O-N 3.11Å; L301-F303 VanDerWaalsContact C-N 3.35Å |
| 302 | F | 94.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.013 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -81.8 | -15.3 | -178.2 | -59.8 | -79.2 | 0 | 0 | 0 | 112.6 | L225 L228 Y232 L299 R300 R304 K305 | L225-F302 HydrophobicContact CD1-CE2 4.21Å; L225-F302 HydrophobicContact CD1-CZ 3.83Å; L228-F302 HydrophobicContact CB-CZ 4.5Å; L228-F302 HydrophobicContact CD2-CD1 4.22Å; L228-F302 HydrophobicContact CD2-CD2 3.7Å; L228-F302 HydrophobicContact CD2-CE1 4.01Å; L228-F302 HydrophobicContact CD2-CE2 3.46Å; L228-F302 VanDerWaalsContact CD2-CE2 3.46Å; L228-F302 HydrophobicContact CD2-CG 4.08Å; L228-F302 HydrophobicContact CD2-CZ 3.63Å; L228-F302 HydrophobicContact CG-CD1 4.04Å; L228-F302 HydrophobicContact CG-CD2 4.41Å; L228-F302 HydrophobicContact CG-CE1 3.78Å; L228-F302 HydrophobicContact CG-CE2 4.18Å; L228-F302 HydrophobicContact CG-CG 4.35Å; L228-F302 HydrophobicContact CG-CZ 3.85Å; Y232-F302 HydrophobicContact CD1-CD1 4.48Å; Y232-F302 HydrophobicContact CD2-CB 4.33Å; Y232-F302 AromaticContact CD2-CD1 3.81Å; Y232-F302 HydrophobicContact CD2-CD1 3.81Å; Y232-F302 HydrophobicContact CE2-CD1 4.48Å; Y232-F302 AromaticContact CG-CD1 3.81Å; Y232-F302 HydrophobicContact CG-CD1 3.81Å; Y232-F302 HydrophobicContact CG-CE1 4.35Å; L299-F302 HydrophobicContact CD2-CD2 4.42Å; L299-F302 WeakPolarHBondContact O-CB 3.46Å; L299-F302 PolarHBondContact O-N 3.41Å; R300-F302 VanDerWaalsContact C-N 3.28Å; R300-F302 PolarHBondContact O-N 2.89Å; F302-R304 PolarHBondContact O-N 3.22Å; F302-K305 PolarHBondContact O-N 3.4Å |
| 303 | F | 94.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.022 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -72.7 | 6.1 | 178.1 | -53.7 | -23.7 | 0 | 0 | 0 | 114 | L299 R300 L301 I307 L309 I322 F326 V330 | L299-F303 HydrophobicContact CB-CE1 3.86Å; L299-F303 HydrophobicContact CB-CE2 4.42Å; L299-F303 HydrophobicContact CB-CZ 3.52Å; L299-F303 WeakPolarHBondContact O-CE1 3.5Å; R300-F303 HydrophobicContact CB-CE2 4.5Å; R300-F303 PolarHBondContact O-N 3.44Å; L301-F303 VanDerWaalsContact C-N 3.35Å; F303-I307 HydrophobicContact CD1-CG2 3.55Å; F303-I307 HydrophobicContact CE1-CG2 4.05Å; F303-L309 HydrophobicContact CE1-CD1 3.97Å; F303-I322 HydrophobicContact CD2-CG2 3.88Å; F303-I322 HydrophobicContact CE1-CG2 4.35Å; F303-I322 HydrophobicContact CE2-CB 4.32Å; F303-I322 HydrophobicContact CE2-CD1 4.37Å; F303-I322 HydrophobicContact CE2-CG1 4.23Å; F303-I322 HydrophobicContact CE2-CG2 3.23Å; F303-I322 HydrophobicContact CZ-CD1 3.9Å; F303-I322 HydrophobicContact CZ-CG1 4.26Å; F303-I322 HydrophobicContact CZ-CG2 3.51Å; F303-F326 HydrophobicContact CB-CD2 4.2Å; F303-V330 HydrophobicContact CB-CG2 4.02Å; F303-V330 HydrophobicContact CD1-CG1 4.42Å; F303-V330 HydrophobicContact CD1-CG2 4.39Å; F303-V330 HydrophobicContact CG-CG2 4.27Å |
| 304 | R | 93.5 | Very high | 94.6 | Very high | 142 Ų | 142 | 26.9 Ų | 26.9 | 54% | 0.536 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -78.3 | -5.8 | 169.4 | -67.7 | 178.7 | 176.3 | -79.7 | 1.8 | 113.2 | Y232 F302 F326 Q328 | Y232-R304 WeakPolarHBondContact OH-CB 3.49Å; F302-R304 PolarHBondContact O-N 3.22Å; R304-F326 HydrophobicContact CB-CD2 4.43Å; R304-F326 HydrophobicContact CG-CB 4.35Å; R304-F326 HydrophobicContact CG-CD1 4.01Å; R304-F326 HydrophobicContact CG-CD2 3.55Å; R304-F326 HydrophobicContact CG-CE1 4.2Å; R304-F326 HydrophobicContact CG-CE2 3.75Å; R304-F326 HydrophobicContact CG-CG 3.68Å; R304-F326 HydrophobicContact CG-CZ 4.07Å; R304-F326 VanDerWaalsContact NH2-CE1 3.32Å; R304-Q328 WeakPolarHBondContact O-CG 3.43Å |
| 305 | K | 94.9 | Very high | 94.6 | Very high | 47 Ų | 47 | 27.2 Ų | 27.2 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -129.8 | 159.9 | 169.8 | -67.7 | -173.3 | -176.4 | -175.6 | 0 | 109.4 | Y232 L235 F302 I307 | Y232-K305 HydrophobicContact CD2-CB 4.3Å; Y232-K305 HydrophobicContact CD2-CD 3.94Å; Y232-K305 HydrophobicContact CD2-CG 4.27Å; Y232-K305 HydrophobicContact CE1-CD 4.45Å; Y232-K305 HydrophobicContact CE2-CB 3.77Å; Y232-K305 HydrophobicContact CE2-CD 3.58Å; Y232-K305 HydrophobicContact CE2-CG 3.52Å; Y232-K305 PolarHBondContact O-NZ 2.87Å; L235-K305 HydrophobicContact CB-CD 3.78Å; L235-K305 HydrophobicContact CD1-CD 4.07Å; L235-K305 PolarHBondContact O-NZ 3.38Å; F302-K305 PolarHBondContact O-N 3.4Å; K305-I307 PolarHBondContact O-N 2.85Å |
| 306 | P | 96.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | trans | -58.8 | 125.1 | 178.8 | -22.3 | 32.9 | 0 | 0 | 0 | 111.9 | F144 I240 L241 P329 F409 | F144-P306 HydrophobicContact CD1-CB 4.3Å; F144-P306 HydrophobicContact CD1-CG 4.05Å; F144-P306 HydrophobicContact CE1-CB 4.22Å; F144-P306 HydrophobicContact CE1-CG 3.64Å; I240-P306 HydrophobicContact CB-CB 4.45Å; I240-P306 HydrophobicContact CG1-CB 3.86Å; L241-P306 PolarHBondContact N-O 2.75Å; P306-P329 VanDerWaalsContact CA-O 3.31Å; P306-P329 WeakPolarHBondContact CA-O 3.37Å; P306-P329 HydrophobicContact CB-CB 4.29Å; P306-P329 HydrophobicContact CB-CG 4.42Å; P306-F409 HydrophobicContact CB-CE1 4.2Å | ||
| 307 | I | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135 | -179 | -169.4 | 170.2 | 0 | 0 | 0 | 112.3 | L241 L243 F303 K305 L309 P329 V330 A331 F409 | L241-I307 HydrophobicContact CB-CG1 4.18Å; L241-I307 HydrophobicContact CD2-CD1 3.82Å; L241-I307 HydrophobicContact CD2-CG1 4.31Å; L241-I307 HydrophobicContact CG-CD1 4.21Å; L241-I307 HydrophobicContact CG-CG1 4.21Å; L241-I307 CarbonylContact O-C 3.57Å; L241-I307 VanDerWaalsContact O-CA 3.28Å; L241-I307 WeakPolarHBondContact O-CA 3.27Å; L241-I307 WeakPolarHBondContact O-CG1 3.48Å; L243-I307 HydrophobicContact CB-CD1 4.33Å; F303-I307 HydrophobicContact CD1-CG2 3.55Å; F303-I307 HydrophobicContact CE1-CG2 4.05Å; K305-I307 PolarHBondContact O-N 2.85Å; I307-L309 HydrophobicContact CB-CD1 4.4Å; I307-L309 HydrophobicContact CD1-CD1 3.97Å; I307-L309 HydrophobicContact CG1-CD1 3.8Å; I307-L309 HydrophobicContact CG2-CD1 3.9Å; I307-P329 PolarHBondContact N-O 3.33Å; I307-P329 VanDerWaalsContact N-O 3.08Å; I307-V330 HydrophobicContact CG2-CB 4.44Å; I307-V330 HydrophobicContact CG2-CG1 4.09Å; I307-V330 HydrophobicContact CG2-CG2 3.91Å; I307-V330 WeakPolarHBondContact O-CA 3.36Å; I307-A331 PolarHBondContact O-N 3.23Å; I307-F409 WeakPolarHBondContact O-CZ 3.15Å |
| 308 | M | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.2 | 165.3 | -178.2 | 177.8 | -76.5 | 0 | 0 | 108.6 | L241 L242 L243 A331 L333 F409 L415 I419 | L241-M308 PolarHBondContact O-N 3.18Å; L242-M308 WeakPolarHBondContact CA-O 3.4Å; L242-M308 HydrophobicContact CD1-CB 4.1Å; L242-M308 HydrophobicContact CD1-CG 4.1Å; L242-M308 HydrophobicContact CD1-SD 4.32Å; L243-M308 PolarHBondContact N-O 3.36Å; M308-A331 CarbonylContact C-O 3.43Å; M308-A331 WeakPolarHBondContact CA-O 3.47Å; M308-L333 HydrophobicContact SD-CD1 4.19Å; M308-F409 HydrophobicContact CB-CE2 4.46Å; M308-F409 HydrophobicContact CE-CB 3.74Å; M308-F409 HydrophobicContact CE-CD2 3.6Å; M308-F409 HydrophobicContact CE-CE2 4.47Å; M308-F409 HydrophobicContact CE-CG 3.85Å; M308-L415 HydrophobicContact CB-CD2 4.49Å; M308-L415 HydrophobicContact CE-CB 4.33Å; M308-L415 HydrophobicContact CE-CD2 4.43Å; M308-L415 HydrophobicContact SD-CD2 3.82Å; M308-I419 HydrophobicContact CE-CD1 3.89Å; M308-I419 HydrophobicContact CE-CG1 3.77Å |
| 309 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.2 | 174.2 | -71 | 82.4 | 0 | 0 | 0 | 109.1 | L243 L299 F303 I307 V311 F319 I322 V330 A331 V332 L333 | L243-L309 CarbonylContact O-C 3.57Å; L243-L309 WeakPolarHBondContact O-CA 3.29Å; L299-L309 HydrophobicContact CD1-CD2 3.45Å; L299-L309 VanDerWaalsContact CD1-CD2 3.45Å; F303-L309 HydrophobicContact CE1-CD1 3.97Å; I307-L309 HydrophobicContact CB-CD1 4.4Å; I307-L309 HydrophobicContact CD1-CD1 3.97Å; I307-L309 HydrophobicContact CG1-CD1 3.8Å; I307-L309 HydrophobicContact CG2-CD1 3.9Å; L309-V311 HydrophobicContact CB-CG2 4.49Å; L309-F319 HydrophobicContact CD2-CD1 4.4Å; L309-I322 HydrophobicContact CD2-CD1 4.19Å; L309-V330 HydrophobicContact CD1-CG1 4.44Å; L309-A331 PolarHBondContact N-O 3.21Å; L309-V332 HydrophobicContact CB-CB 4.41Å; L309-V332 HydrophobicContact CB-CG1 4.07Å; L309-V332 HydrophobicContact CB-CG2 4.24Å; L309-V332 HydrophobicContact CD1-CG2 4.44Å; L309-V332 CarbonylContact O-C 3.58Å; L309-V332 WeakPolarHBondContact O-CA 3.43Å; L309-L333 PolarHBondContact O-N 3.24Å |
| 310 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 115.7 | 169 | -57.7 | -178 | 0 | 0 | 0 | 106.9 | M171 L242 L243 Y244 L245 L333 F353 L357 | M171-I310 HydrophobicContact CE-CD1 4.3Å; L242-I310 HydrophobicContact CD1-CD1 3.81Å; L242-I310 HydrophobicContact CD1-CG1 3.97Å; L243-I310 PolarHBondContact O-N 3.4Å; Y244-I310 WeakPolarHBondContact CA-O 3.39Å; Y244-I310 HydrophobicContact CD2-CB 3.9Å; Y244-I310 HydrophobicContact CD2-CG2 3.68Å; Y244-I310 HydrophobicContact CE2-CG2 4.04Å; L245-I310 PolarHBondContact N-O 2.92Å; I310-L333 CarbonylContact C-O 3.58Å; I310-L333 WeakPolarHBondContact CA-O 3.45Å; I310-L333 HydrophobicContact CG1-CB 4.37Å; I310-L333 HydrophobicContact CG1-CD1 4.33Å; I310-F353 HydrophobicContact CG2-CE1 3.73Å; I310-F353 HydrophobicContact CG2-CZ 4.41Å; I310-L357 HydrophobicContact CD1-CD1 4.2Å; I310-L357 HydrophobicContact CG2-CD1 3.58Å |
| 311 | V | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.2 | -174.2 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | L245 L266 L309 S316 F319 V332 L333 C334 S335 | L245-V311 HydrophobicContact CD1-CG2 4.39Å; L266-V311 HydrophobicContact CD1-CG1 3.9Å; L266-V311 HydrophobicContact CD2-CG1 4.28Å; L309-V311 HydrophobicContact CB-CG2 4.49Å; V311-S316 WeakPolarHBondContact O-CB 3.37Å; V311-F319 HydrophobicContact CG1-CD2 3.96Å; V311-F319 HydrophobicContact CG1-CE2 4.24Å; V311-F319 HydrophobicContact CG1-CG 4.41Å; V311-F319 HydrophobicContact CG2-CB 4.12Å; V311-F319 HydrophobicContact CG2-CD1 4.2Å; V311-F319 HydrophobicContact CG2-CD2 4.33Å; V311-F319 HydrophobicContact CG2-CG 3.95Å; V311-V332 HydrophobicContact CG2-CG1 4.2Å; V311-L333 PolarHBondContact N-O 2.92Å; V311-C334 WeakPolarHBondContact O-CA 3.48Å; V311-S335 PolarHBondContact O-N 2.94Å; V311-S335 PolarHBondContact O-OG 2.75Å |
| 312 | D | 96.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 25.5 Ų | 25.5 | 6% | 0.059 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 92.7 | 177.3 | -158.9 | -17.8 | 0 | 0 | 0 | 109.7 | L245 S246 A247 S335 S351 F353 T354 | L245-D312 PolarHBondContact O-N 3.49Å; S246-D312 WeakPolarHBondContact CA-O 3.48Å; A247-D312 PolarHBondContact N-O 2.96Å; D312-S335 WeakPolarHBondContact CA-OG 3.44Å; D312-S335 WeakPolarHBondContact OD1-CB 3.37Å; D312-S351 PolarHBondContact OD1-OG 3.32Å; D312-S351 WeakPolarHBondContact OD2-CB 3.43Å; D312-S351 PolarHBondContact OD2-OG 3.28Å; D312-F353 HydrophobicContact CB-CD1 4.18Å; D312-T354 PolarHBondContact OD2-N 2.89Å; D312-T354 PolarHBondContact OD2-OG1 3.05Å |
| 313 | S | 95.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -162.2 | 158.7 | -175.7 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | A247 L266 S315 S316 S335 | A247-S313 WeakPolarHBondContact O-CB 3.38Å; A247-S313 PolarHBondContact O-OG 3.46Å; L266-S313 WeakPolarHBondContact CD2-OG 3.45Å; S313-S315 PolarHBondContact O-N 2.88Å; S313-S315 PolarHBondContact OG-N 2.82Å; S313-S315 VanDerWaalsContact OG-N 3.08Å; S313-S315 PolarHBondContact OG-OG 2.89Å; S313-S315 VanDerWaalsContact OG-OG 3.06Å; S313-S316 VanDerWaalsContact O-CB 3.28Å; S313-S316 WeakPolarHBondContact O-CB 3.45Å; S313-S316 PolarHBondContact O-N 2.67Å; S313-S316 PolarHBondContact O-OG 3.43Å; S313-S335 PolarHBondContact N-OG 2.56Å; S313-S335 PolarHBondContact O-OG 3.21Å |
| 314 | S | 92.9 | Very high | 92.9 | Very high | 75 Ų | 75 | 34.1 Ų | 34.1 | 52% | 0.524 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9.3 | 168.7 | 47 | 0 | 0 | 0 | 0 | 114 | A249 V337 | A249-S314 WeakPolarHBondContact CB-OG 3.43Å; S314-V337 WeakPolarHBondContact CA-O 3.47Å; S314-V337 VanDerWaalsContact CB-O 3.23Å; S314-V337 WeakPolarHBondContact CB-O 3.5Å; S314-V337 WeakPolarHBondContact O-CB 3.34Å |
| 315 | S | 93.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 21.6 | 170.6 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | A249 G265 S313 D317 A318 | A249-S315 WeakPolarHBondContact CA-OG 3.43Å; A249-S315 VanDerWaalsContact CB-OG 3.25Å; A249-S315 WeakPolarHBondContact CB-OG 3.4Å; G265-S315 PolarHBondContact O-OG 2.84Å; S313-S315 PolarHBondContact O-N 2.88Å; S313-S315 PolarHBondContact OG-N 2.82Å; S313-S315 VanDerWaalsContact OG-N 3.08Å; S313-S315 PolarHBondContact OG-OG 2.89Å; S313-S315 VanDerWaalsContact OG-OG 3.06Å; S315-D317 PolarHBondContact O-N 3.21Å; S315-A318 VanDerWaalsContact O-CB 3.26Å; S315-A318 WeakPolarHBondContact O-CB 3.39Å; S315-A318 PolarHBondContact O-N 2.77Å |
| 316 | S | 95.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -59.1 | -30.4 | -179.1 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | V311 S313 A318 F319 C334 S335 | V311-S316 WeakPolarHBondContact O-CB 3.37Å; S313-S316 VanDerWaalsContact O-CB 3.28Å; S313-S316 WeakPolarHBondContact O-CB 3.45Å; S313-S316 PolarHBondContact O-N 2.67Å; S313-S316 PolarHBondContact O-OG 3.43Å; S316-A318 PolarHBondContact O-N 2.67Å; S316-F319 PolarHBondContact O-N 2.86Å; S316-F319 VanDerWaalsContact O-N 3.11Å; S316-C334 PolarHBondContact O-SG 2.93Å; S316-S335 PolarHBondContact OG-O 2.78Å |
| 317 | D | 94.4 | Very high | 91.9 | Very high | 79 Ų | 79 | 35.7 Ų | 35.7 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -61.4 | -26.1 | 178.5 | 62.6 | -16.3 | 0 | 0 | 0 | 114 | S315 F319 L320 V337 | S315-D317 PolarHBondContact O-N 3.21Å; D317-F319 PolarHBondContact O-N 3.47Å; D317-L320 HydrophobicContact CB-CD1 4.12Å; D317-L320 WeakPolarHBondContact O-CB 3.44Å; D317-L320 PolarHBondContact O-N 2.94Å; D317-L320 VanDerWaalsContact O-N 3.08Å; D317-V337 HydrophobicContact CB-CG1 3.77Å |
| 318 | A | 92.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -56.1 | -31.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | C263 G264 P296 S315 S316 L320 | C263-A318 WeakPolarHBondContact O-CB 3.4Å; G264-A318 WeakPolarHBondContact O-CB 3.43Å; P296-A318 HydrophobicContact CG-CB 4.04Å; P296-A318 WeakPolarHBondContact CG-O 3.47Å; S315-A318 VanDerWaalsContact O-CB 3.26Å; S315-A318 WeakPolarHBondContact O-CB 3.39Å; S315-A318 PolarHBondContact O-N 2.77Å; S316-A318 PolarHBondContact O-N 2.67Å; A318-L320 VanDerWaalsContact C-N 3.34Å |
| 319 | F | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -84.4 | -6.6 | -177.7 | -67.2 | -101.5 | 0 | 0 | 0 | 113.1 | L266 P296 L299 L309 V311 S316 D317 N321 I322 V332 | L266-F319 HydrophobicContact CD1-CE2 3.81Å; L266-F319 HydrophobicContact CD1-CZ 3.66Å; L266-F319 HydrophobicContact CD2-CE2 4.17Å; L266-F319 HydrophobicContact CG-CE2 3.7Å; L266-F319 HydrophobicContact CG-CZ 3.79Å; P296-F319 HydrophobicContact CB-CD1 4.13Å; P296-F319 HydrophobicContact CB-CE1 4.28Å; P296-F319 HydrophobicContact CB-CG 4.48Å; P296-F319 HydrophobicContact CG-CD1 3.95Å; P296-F319 HydrophobicContact CG-CD2 4.02Å; P296-F319 HydrophobicContact CG-CE1 3.98Å; P296-F319 HydrophobicContact CG-CE2 4.03Å; P296-F319 HydrophobicContact CG-CG 3.95Å; P296-F319 HydrophobicContact CG-CZ 4.01Å; L299-F319 HydrophobicContact CD1-CD1 4.33Å; L299-F319 HydrophobicContact CD1-CE1 3.92Å; L309-F319 HydrophobicContact CD2-CD1 4.4Å; V311-F319 HydrophobicContact CG1-CD2 3.96Å; V311-F319 HydrophobicContact CG1-CE2 4.24Å; V311-F319 HydrophobicContact CG1-CG 4.41Å; V311-F319 HydrophobicContact CG2-CB 4.12Å; V311-F319 HydrophobicContact CG2-CD1 4.2Å; V311-F319 HydrophobicContact CG2-CD2 4.33Å; V311-F319 HydrophobicContact CG2-CG 3.95Å; S316-F319 PolarHBondContact O-N 2.86Å; S316-F319 VanDerWaalsContact O-N 3.11Å; D317-F319 PolarHBondContact O-N 3.47Å; F319-N321 VanDerWaalsContact C-N 3.3Å; F319-N321 PolarHBondContact O-N 2.85Å; F319-I322 HydrophobicContact CB-CD1 4.01Å; F319-I322 HydrophobicContact CD1-CD1 3.74Å; F319-I322 HydrophobicContact CG-CD1 4.33Å; F319-I322 WeakPolarHBondContact O-CB 3.29Å; F319-I322 WeakPolarHBondContact O-CD1 3.3Å; F319-I322 WeakPolarHBondContact O-CG1 3.46Å; F319-I322 PolarHBondContact O-N 3.09Å; F319-V332 HydrophobicContact CB-CG1 3.99Å |
| 320 | L | 93.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -71.1 | -24.4 | -179.6 | -66.2 | 171.9 | 0 | 0 | 0 | 113.2 | D317 A318 I322 C334 H444 S446 | D317-L320 HydrophobicContact CB-CD1 4.12Å; D317-L320 WeakPolarHBondContact O-CB 3.44Å; D317-L320 PolarHBondContact O-N 2.94Å; D317-L320 VanDerWaalsContact O-N 3.08Å; A318-L320 VanDerWaalsContact C-N 3.34Å; L320-I322 PolarHBondContact O-N 3.41Å; L320-C334 HydrophobicContact CD2-CB 4.18Å; L320-H444 HydrophobicContact CD1-CB 3.75Å; L320-H444 HydrophobicContact CD2-CB 3.93Å; L320-H444 HydrophobicContact CG-CB 4.49Å; L320-S446 WeakPolarHBondContact O-CB 3.47Å; L320-S446 PolarHBondContact O-OG 3.11Å |
| 321 | N | 86.4 | Confident | 91.5 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -83.4 | 10 | 178.6 | -57.9 | -67.4 | 0 | 0 | 0 | 113.2 | F319 E323 | F319-N321 VanDerWaalsContact C-N 3.3Å; F319-N321 PolarHBondContact O-N 2.85Å; N321-E323 PolarHBondContact O-N 3.43Å |
| 322 | I | 84.3 | Confident | 91.5 | Very high | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | trans | -71.5 | 121.5 | 173.6 | -72.8 | 168.2 | 0 | 0 | 0 | 108.9 | P296 F303 L309 F319 L320 V330 V332 | P296-I322 HydrophobicContact CB-CD1 4.1Å; P296-I322 HydrophobicContact CB-CG1 4.11Å; F303-I322 HydrophobicContact CD2-CG2 3.88Å; F303-I322 HydrophobicContact CE1-CG2 4.35Å; F303-I322 HydrophobicContact CE2-CB 4.32Å; F303-I322 HydrophobicContact CE2-CD1 4.37Å; F303-I322 HydrophobicContact CE2-CG1 4.23Å; F303-I322 HydrophobicContact CE2-CG2 3.23Å; F303-I322 HydrophobicContact CZ-CD1 3.9Å; F303-I322 HydrophobicContact CZ-CG1 4.26Å; F303-I322 HydrophobicContact CZ-CG2 3.51Å; L309-I322 HydrophobicContact CD2-CD1 4.19Å; F319-I322 HydrophobicContact CB-CD1 4.01Å; F319-I322 HydrophobicContact CD1-CD1 3.74Å; F319-I322 HydrophobicContact CG-CD1 4.33Å; F319-I322 WeakPolarHBondContact O-CB 3.29Å; F319-I322 WeakPolarHBondContact O-CD1 3.3Å; F319-I322 WeakPolarHBondContact O-CG1 3.46Å; F319-I322 PolarHBondContact O-N 3.09Å; L320-I322 PolarHBondContact O-N 3.41Å; I322-V330 HydrophobicContact CG2-CG1 4.14Å; I322-V332 HydrophobicContact CB-CG2 4.36Å; I322-V332 HydrophobicContact CD1-CG2 4.47Å | ||
| 323 | E | 76.4 | Confident | 91.5 | Very high | 138 Ų | 138 | 39.4 Ų | 39.4 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | trans | -107 | 143.9 | 176.1 | -66 | 178.9 | 174.4 | 0 | 0 | 111.3 | N321 Q325 | N321-E323 PolarHBondContact O-N 3.43Å; E323-Q325 PolarHBondContact O-N 3.3Å | ||
| 324 | S | 81.9 | Confident | 91.7 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | trans | -74 | 94.3 | 170.7 | -179 | 0 | 0 | 0 | 0 | 110.7 | F326 Q328 | S324-F326 VanDerWaalsContact C-N 3.34Å; S324-Q328 WeakPolarHBondContact CB-O 3.46Å; S324-Q328 PolarHBondContact OG-N 2.79Å; S324-Q328 PolarHBondContact OG-O 3.47Å | ||
| 325 | Q | 81.8 | Confident | 91.9 | Very high | 89 Ų | 89 | 35.6 Ų | 35.6 | 42% | 0.416 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.3 | -177.9 | -66.2 | -178 | -3.7 | 0 | 0 | 114.2 | R300 E323 | R300-Q325 VanDerWaalsContact CZ-NE2 3.32Å; E323-Q325 PolarHBondContact O-N 3.3Å |
| 326 | F | 90.8 | Very high | 92 | Very high | 69 Ų | 69 | 35.5 Ų | 35.5 | 30% | 0.303 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 11.5 | -173.5 | -56 | -69.2 | 0 | 0 | 0 | 113.1 | R300 F303 R304 S324 Q328 | R300-F326 WeakPolarHBondContact O-CE2 3.25Å; F303-F326 HydrophobicContact CB-CD2 4.2Å; R304-F326 HydrophobicContact CB-CD2 4.43Å; R304-F326 HydrophobicContact CG-CB 4.35Å; R304-F326 HydrophobicContact CG-CD1 4.01Å; R304-F326 HydrophobicContact CG-CD2 3.55Å; R304-F326 HydrophobicContact CG-CE1 4.2Å; R304-F326 HydrophobicContact CG-CE2 3.75Å; R304-F326 HydrophobicContact CG-CG 3.68Å; R304-F326 HydrophobicContact CG-CZ 4.07Å; R304-F326 VanDerWaalsContact NH2-CE1 3.32Å; S324-F326 VanDerWaalsContact C-N 3.34Å; F326-Q328 PolarHBondContact O-N 3.25Å |
| 327 | G | 90.2 | Very high | 92 | Very high | 70 Ų | 70 | 36.5 Ų | 36.5 | 72% | 0.722 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 65.2 | 17.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 328 | Q | 94.4 | Very high | 92 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -94.1 | 150.6 | 174.9 | -64.9 | -62.9 | -52.7 | 0 | 0 | 110.3 | R304 S324 F326 V330 | R304-Q328 WeakPolarHBondContact O-CG 3.43Å; S324-Q328 WeakPolarHBondContact CB-O 3.46Å; S324-Q328 PolarHBondContact OG-N 2.79Å; S324-Q328 PolarHBondContact OG-O 3.47Å; F326-Q328 PolarHBondContact O-N 3.25Å; Q328-V330 PolarHBondContact O-N 3.37Å |
| 329 | P | 95.5 | Very high | 92 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | trans | -55.3 | 123.5 | 171.7 | -27.3 | 36.4 | 0 | 0 | 0 | 111.4 | F144 P306 I307 A408 F409 | F144-P329 HydrophobicContact CE1-CG 3.95Å; F144-P329 HydrophobicContact CZ-CG 3.87Å; P306-P329 VanDerWaalsContact CA-O 3.31Å; P306-P329 WeakPolarHBondContact CA-O 3.37Å; P306-P329 HydrophobicContact CB-CB 4.29Å; P306-P329 HydrophobicContact CB-CG 4.42Å; I307-P329 PolarHBondContact N-O 3.33Å; I307-P329 VanDerWaalsContact N-O 3.08Å; P329-A408 HydrophobicContact CB-CB 3.93Å; P329-A408 HydrophobicContact CG-CB 3.65Å; P329-F409 VanDerWaalsContact C-CZ 3.5Å; P329-F409 HydrophobicContact CB-CD1 4.42Å; P329-F409 HydrophobicContact CB-CE1 3.62Å; P329-F409 HydrophobicContact CB-CE2 4.28Å; P329-F409 HydrophobicContact CB-CZ 3.54Å; P329-F409 WeakPolarHBondContact O-CZ 3.21Å | ||
| 330 | V | 96.2 | Very high | 91.9 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.3 | 172 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | F303 I307 L309 I322 Q328 S405 P447 | F303-V330 HydrophobicContact CB-CG2 4.02Å; F303-V330 HydrophobicContact CD1-CG1 4.42Å; F303-V330 HydrophobicContact CD1-CG2 4.39Å; F303-V330 HydrophobicContact CG-CG2 4.27Å; I307-V330 HydrophobicContact CG2-CB 4.44Å; I307-V330 HydrophobicContact CG2-CG1 4.09Å; I307-V330 HydrophobicContact CG2-CG2 3.91Å; I307-V330 WeakPolarHBondContact O-CA 3.36Å; L309-V330 HydrophobicContact CD1-CG1 4.44Å; I322-V330 HydrophobicContact CG2-CG1 4.14Å; Q328-V330 PolarHBondContact O-N 3.37Å; V330-S405 PolarHBondContact N-OG 3.44Å; V330-S405 WeakPolarHBondContact O-CB 3.49Å; V330-S405 PolarHBondContact O-OG 3.42Å; V330-P447 WeakPolarHBondContact O-CD 3.3Å |
| 331 | A | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | I307 M308 L309 Y406 F409 S446 | I307-A331 PolarHBondContact O-N 3.23Å; M308-A331 CarbonylContact C-O 3.43Å; M308-A331 WeakPolarHBondContact CA-O 3.47Å; L309-A331 PolarHBondContact N-O 3.21Å; A331-Y406 HydrophobicContact CB-CD1 4.27Å; A331-Y406 HydrophobicContact CB-CE1 3.7Å; A331-F409 HydrophobicContact CB-CD2 3.79Å; A331-F409 HydrophobicContact CB-CE2 3.43Å; A331-F409 VanDerWaalsContact CB-CE2 3.43Å; A331-S446 CarbonylContact C-O 3.51Å; A331-S446 VanDerWaalsContact CA-O 3.27Å; A331-S446 WeakPolarHBondContact CA-O 3.41Å |
| 332 | V | 97.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.1 | 179.8 | -169.8 | 0 | 0 | 0 | 0 | 107.8 | L309 V311 F319 I322 C334 S445 S446 | L309-V332 HydrophobicContact CB-CB 4.41Å; L309-V332 HydrophobicContact CB-CG1 4.07Å; L309-V332 HydrophobicContact CB-CG2 4.24Å; L309-V332 HydrophobicContact CD1-CG2 4.44Å; L309-V332 CarbonylContact O-C 3.58Å; L309-V332 WeakPolarHBondContact O-CA 3.43Å; V311-V332 HydrophobicContact CG2-CG1 4.2Å; F319-V332 HydrophobicContact CB-CG1 3.99Å; I322-V332 HydrophobicContact CB-CG2 4.36Å; I322-V332 HydrophobicContact CD1-CG2 4.47Å; V332-C334 VanDerWaalsContact CG1-SG 3.57Å; V332-S445 CarbonylContact O-C 3.52Å; V332-S445 WeakPolarHBondContact O-CA 3.39Å; V332-S445 WeakPolarHBondContact O-CB 3.06Å; V332-S446 PolarHBondContact N-O 3.36Å; V332-S446 PolarHBondContact O-N 3.26Å |
| 333 | L | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.4 | 172.7 | -53.2 | -178.2 | 0 | 0 | 0 | 108.3 | M308 L309 I310 V311 F353 Y406 F422 | M308-L333 HydrophobicContact SD-CD1 4.19Å; L309-L333 PolarHBondContact O-N 3.24Å; I310-L333 CarbonylContact C-O 3.58Å; I310-L333 WeakPolarHBondContact CA-O 3.45Å; I310-L333 HydrophobicContact CG1-CB 4.37Å; I310-L333 HydrophobicContact CG1-CD1 4.33Å; V311-L333 PolarHBondContact N-O 2.92Å; L333-F353 HydrophobicContact CB-CZ 4.31Å; L333-Y406 HydrophobicContact CD2-CE1 4.32Å; L333-F422 HydrophobicContact CB-CD2 3.86Å; L333-F422 HydrophobicContact CB-CE2 4.03Å; L333-F422 HydrophobicContact CD1-CB 4Å; L333-F422 HydrophobicContact CD1-CD2 4.17Å; L333-F422 HydrophobicContact CD1-CG 4.09Å; L333-F422 HydrophobicContact CD2-CD1 3.96Å; L333-F422 HydrophobicContact CD2-CD2 3.96Å; L333-F422 HydrophobicContact CD2-CE1 4.15Å; L333-F422 HydrophobicContact CD2-CE2 4.12Å; L333-F422 HydrophobicContact CD2-CG 3.88Å; L333-F422 HydrophobicContact CD2-CZ 4.23Å; L333-F422 HydrophobicContact CG-CD2 4.22Å; L333-F422 HydrophobicContact CG-CG 4.39Å |
| 334 | C | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135.4 | -174.6 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | V311 S316 L320 V332 P443 H444 | V311-C334 WeakPolarHBondContact O-CA 3.48Å; S316-C334 PolarHBondContact O-SG 2.93Å; L320-C334 HydrophobicContact CD2-CB 4.18Å; V332-C334 VanDerWaalsContact CG1-SG 3.57Å; C334-P443 VanDerWaalsContact O-CA 3.29Å; C334-P443 WeakPolarHBondContact O-CA 3.41Å; C334-P443 WeakPolarHBondContact O-CB 3.48Å; C334-H444 PolarHBondContact N-O 3.25Å; C334-H444 PolarHBondContact O-N 3.1Å |
| 335 | S | 97.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | trans | -61.5 | 162.7 | 167.7 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | V311 D312 S313 S316 | V311-S335 PolarHBondContact O-N 2.94Å; V311-S335 PolarHBondContact O-OG 2.75Å; D312-S335 WeakPolarHBondContact CA-OG 3.44Å; D312-S335 WeakPolarHBondContact OD1-CB 3.37Å; S313-S335 PolarHBondContact N-OG 2.56Å; S313-S335 PolarHBondContact O-OG 3.21Å; S316-S335 PolarHBondContact OG-O 2.78Å | ||
| 336 | P | 96.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | trans | -54.7 | 143.1 | 161.2 | -22 | 33.2 | 0 | 0 | 0 | 111.8 | E338 M339 L429 K440 Y441 L442 | P336-E338 WeakPolarHBondContact CB-O 3.5Å; P336-M339 HydrophobicContact CB-CE 3.75Å; P336-M339 HydrophobicContact CG-CE 3.81Å; P336-L429 HydrophobicContact CG-CD1 4.35Å; P336-K440 WeakPolarHBondContact CB-O 3.48Å; P336-Y441 WeakPolarHBondContact CG-O 3.19Å; P336-L442 WeakPolarHBondContact CA-O 3.37Å | ||
| 337 | V | 94.8 | Very high | 88.7 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -81.1 | -25.7 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | S314 D317 K440 | S314-V337 WeakPolarHBondContact CA-O 3.47Å; S314-V337 VanDerWaalsContact CB-O 3.23Å; S314-V337 WeakPolarHBondContact CB-O 3.5Å; S314-V337 WeakPolarHBondContact O-CB 3.34Å; D317-V337 HydrophobicContact CB-CG1 3.77Å; V337-K440 HydrophobicContact CG2-CB 3.6Å; V337-K440 HydrophobicContact CG2-CD 4.23Å; V337-K440 HydrophobicContact CG2-CG 3.86Å; V337-K440 PolarHBondContact N-O 3.1Å; V337-K440 VanDerWaalsContact N-O 3.08Å |
| 338 | E | 94 | Very high | 87.4 | Confident | 70 Ų | 70 | 48 Ų | 48 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -129.7 | 159.3 | 173.9 | -66.1 | 178.6 | -158.7 | 0 | 0 | 110.1 | P336 K440 Y441 | P336-E338 WeakPolarHBondContact CB-O 3.5Å; E338-K440 HydrophobicContact CB-CB 4.19Å; E338-K440 VanDerWaalsContact CD-CD 3.43Å; E338-K440 HydrophobicContact CG-CB 4.32Å; E338-K440 HydrophobicContact CG-CD 4.14Å; E338-K440 PolarHBondContact N-O 3.46Å; E338-K440 VanDerWaalsContact N-O 3.11Å; E338-K440 WeakPolarHBondContact OE1-CD 3.48Å; E338-K440 WeakPolarHBondContact OE1-CE 3.29Å; E338-K440 IonicContact OE1-NZ 3.58Å; E338-K440 PolarHBondContact OE1-NZ 3.29Å; E338-Y441 HydrophobicContact CB-CD1 3.81Å; E338-Y441 HydrophobicContact CB-CE1 3.6Å; E338-Y441 VanDerWaalsContact O-CD1 3.32Å; E338-Y441 WeakPolarHBondContact O-CD1 3.43Å |
| 339 | M | 92 | Very high | 86.8 | Confident | 38 Ų | 38 | 50 Ų | 50 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | trans | -117.3 | 149.1 | 173.3 | -68.4 | -66.1 | 157.8 | 0 | 0 | 110.6 | P336 Q344 L352 | P336-M339 HydrophobicContact CB-CE 3.75Å; P336-M339 HydrophobicContact CG-CE 3.81Å; M339-Q344 HydrophobicContact CB-CG 4.33Å; M339-Q344 PolarHBondContact O-NE2 3.04Å; M339-L352 HydrophobicContact SD-CD2 4.35Å | ||
| 340 | P | 92.4 | Very high | 86.5 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | trans | -56.4 | 147.4 | 171.8 | -26.1 | 34.2 | 0 | 0 | 0 | 113 | F342 L343 Q344 S434 F435 Y441 | P340-F342 HydrophobicContact CB-CD1 3.51Å; P340-F342 HydrophobicContact CB-CE1 3.44Å; P340-F342 VanDerWaalsContact CB-CE1 3.44Å; P340-F342 HydrophobicContact CG-CD1 4.48Å; P340-F342 HydrophobicContact CG-CE1 3.92Å; P340-F342 PolarHBondContact O-N 3.24Å; P340-F342 VanDerWaalsContact O-N 3.1Å; P340-L343 PolarHBondContact O-N 3.44Å; P340-Q344 PolarHBondContact O-N 3.29Å; P340-S434 VanDerWaalsContact CG-O 3.27Å; P340-S434 WeakPolarHBondContact CG-O 3.43Å; P340-F435 HydrophobicContact CG-CD1 3.64Å; P340-F435 HydrophobicContact CG-CD2 4.49Å; P340-F435 HydrophobicContact CG-CE1 3.6Å; P340-F435 HydrophobicContact CG-CE2 4.47Å; P340-F435 HydrophobicContact CG-CG 4.1Å; P340-F435 HydrophobicContact CG-CZ 4.05Å; P340-Y441 HydrophobicContact CB-CE2 4.26Å; P340-Y441 HydrophobicContact CG-CD2 3.76Å; P340-Y441 HydrophobicContact CG-CE2 3.99Å; P340-Y441 HydrophobicContact CG-CG 4.13Å | ||
| 341 | K | 88.2 | Confident | 86.4 | Confident | 171 Ų | 171 | 50.6 Ų | 50.6 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -53.6 | -36.2 | -175.9 | -66 | -176.9 | -179.7 | 178.6 | 0 | 114.1 | L343 Q344 G345 | K341-L343 PolarHBondContact O-N 3.43Å; K341-Q344 PolarHBondContact O-N 3.25Å; K341-G345 PolarHBondContact O-N 3.48Å |
| 342 | F | 88.3 | Confident | 86.3 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.2 | -22 | -180 | 81.4 | -87.7 | 0 | 0 | 0 | 113.2 | P340 F435 | P340-F342 HydrophobicContact CB-CD1 3.51Å; P340-F342 HydrophobicContact CB-CE1 3.44Å; P340-F342 VanDerWaalsContact CB-CE1 3.44Å; P340-F342 HydrophobicContact CG-CD1 4.48Å; P340-F342 HydrophobicContact CG-CE1 3.92Å; P340-F342 PolarHBondContact O-N 3.24Å; P340-F342 VanDerWaalsContact O-N 3.1Å; F342-F435 HydrophobicContact CE1-CE2 4.31Å; F342-F435 HydrophobicContact CE1-CZ 4.42Å; F342-F435 HydrophobicContact CZ-CE2 4.04Å; F342-F435 HydrophobicContact CZ-CZ 4.12Å |
| 343 | L | 85.7 | Confident | 86.3 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -93 | -31.3 | 174.3 | -67.3 | -179.6 | 0 | 0 | 0 | 112.6 | P340 K341 G345 R346 L352 F366 F435 | P340-L343 PolarHBondContact O-N 3.44Å; K341-L343 PolarHBondContact O-N 3.43Å; L343-G345 VanDerWaalsContact C-N 3.25Å; L343-G345 PolarHBondContact O-N 3.2Å; L343-R346 PolarHBondContact O-N 2.85Å; L343-L352 HydrophobicContact CD1-CD2 3.87Å; L343-F366 HydrophobicContact CD2-CE1 3.76Å; L343-F366 HydrophobicContact CD2-CZ 4.07Å; L343-F435 HydrophobicContact CD1-CE1 4.12Å; L343-F435 HydrophobicContact CD1-CZ 3.72Å |
| 344 | Q | 78.1 | Confident | 86.3 | Confident | 116 Ų | 116 | 51.3 Ų | 51.3 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 177.5 | -65 | 180 | -6 | 0 | 0 | 112.7 | M339 P340 K341 R346 | M339-Q344 HydrophobicContact CB-CG 4.33Å; M339-Q344 PolarHBondContact O-NE2 3.04Å; P340-Q344 PolarHBondContact O-N 3.29Å; K341-Q344 PolarHBondContact O-N 3.25Å; Q344-R346 VanDerWaalsContact C-N 3.31Å; Q344-R346 PolarHBondContact O-N 3.45Å |
| 345 | G | 61.5 | Low | 86.2 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 75% | 0.753 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K341 L343 | K341-G345 PolarHBondContact O-N 3.48Å; L343-G345 VanDerWaalsContact C-N 3.25Å; L343-G345 PolarHBondContact O-N 3.2Å |
| 346 | R | 67.4 | Low | 86.2 | Confident | 105 Ų | 105 | 51.6 Ų | 51.6 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -93.1 | 141.1 | 177.7 | -67.9 | -176.8 | 174.8 | -170.2 | -3.5 | 109.2 | L343 Q344 Q348 N369 | L343-R346 PolarHBondContact O-N 2.85Å; Q344-R346 VanDerWaalsContact C-N 3.31Å; Q344-R346 PolarHBondContact O-N 3.45Å; R346-Q348 PolarHBondContact O-N 3.45Å; R346-Q348 VanDerWaalsContact O-N 3.08Å; R346-N369 PolarHBondContact NH2-OD1 2.91Å |
| 347 | P | 60.5 | Low | 86.3 | Confident | 111 Ų | 111 | 51.3 Ų | 51.3 | 72% | 0.721 | 27% | 0.266 | S | S | * | . | trans | -55.9 | 121 | 172.9 | 21.2 | -29.8 | 0 | 0 | 0 | 108.8 | R349 | P347-R349 PolarHBondContact O-N 3.29Š| ||
| 348 | Q | 62.9 | Low | 86.3 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | trans | -65.1 | 102.5 | -179.3 | -83.8 | -176.3 | -4.8 | 0 | 0 | 109.3 | S157 R346 | S157-Q348 PolarHBondContact OG-OE1 2.95Å; R346-Q348 PolarHBondContact O-N 3.45Å; R346-Q348 VanDerWaalsContact O-N 3.08Å | ||
| 349 | R | 81.5 | Confident | 86.4 | Confident | 112 Ų | 112 | 47.2 Ų | 47.2 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | trans | -76.2 | -42.1 | 176.3 | -79 | 175.1 | 171.7 | -147.5 | -2.2 | 111 | E107 A108 L166 P347 | E107-R349 PolarHBondContact O-NH1 2.73Å; A108-R349 HydrophobicContact CB-CB 3.83Å; A108-R349 HydrophobicContact CB-CG 3.82Å; L166-R349 HydrophobicContact CD2-CB 4.48Å; L166-R349 WeakPolarHBondContact CD2-O 3.37Å; P347-R349 PolarHBondContact O-N 3.29Å | ||
| 350 | G | 88.6 | Confident | 86.7 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -166.7 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | D167 | D167-G350 VanDerWaalsContact OD1-CA 3.25Å; D167-G350 WeakPolarHBondContact OD1-CA 3.43Å |
| 351 | S | 93.7 | Very high | 86.9 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | trans | -75 | 138.7 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 112 | D167 D312 F353 T354 L355 | D167-S351 PolarHBondContact OD1-N 3.05Å; D167-S351 WeakPolarHBondContact OD2-CB 3.39Å; D167-S351 PolarHBondContact OD2-N 2.83Å; D312-S351 PolarHBondContact OD1-OG 3.32Å; D312-S351 WeakPolarHBondContact OD2-CB 3.43Å; D312-S351 PolarHBondContact OD2-OG 3.28Å; S351-F353 VanDerWaalsContact C-N 3.26Å; S351-F353 PolarHBondContact O-N 3.39Å; S351-F353 PolarHBondContact OG-N 2.67Å; S351-F353 VanDerWaalsContact OG-N 3.15Å; S351-T354 PolarHBondContact O-N 3.48Å; S351-L355 WeakPolarHBondContact O-CB 3.11Å; S351-L355 PolarHBondContact O-N 2.67Å | ||
| 352 | L | 95.2 | Very high | 87.3 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -39 | 170.8 | 176.9 | 60 | 0 | 0 | 0 | 111.1 | M339 L343 L355 F356 A363 F366 I367 F435 | M339-L352 HydrophobicContact SD-CD2 4.35Å; L343-L352 HydrophobicContact CD1-CD2 3.87Å; L352-L355 PolarHBondContact O-N 2.95Å; L352-F356 HydrophobicContact CD1-CD2 3.91Å; L352-F356 HydrophobicContact CD1-CE2 3.72Å; L352-F356 HydrophobicContact CD2-CE2 4.48Å; L352-F356 HydrophobicContact CG-CD2 4.05Å; L352-F356 HydrophobicContact CG-CE2 4.01Å; L352-F356 WeakPolarHBondContact O-CD2 3.25Å; L352-F356 PolarHBondContact O-N 3.44Å; L352-A363 HydrophobicContact CD1-CB 4.45Å; L352-F366 HydrophobicContact CD1-CD1 3.96Å; L352-F366 HydrophobicContact CD1-CE1 4.36Å; L352-I367 HydrophobicContact CD1-CG2 3.71Å; L352-I367 HydrophobicContact CD2-CG2 3.9Å; L352-I367 HydrophobicContact CG-CG2 4.47Å; L352-F435 HydrophobicContact CD2-CE1 3.85Å; L352-F435 HydrophobicContact CD2-CZ 3.86Å |
| 353 | F | 97.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -49.9 | -179.5 | 178.6 | -116.7 | 0 | 0 | 0 | 110.7 | I310 D312 L333 S351 L355 F356 L357 F422 P443 | I310-F353 HydrophobicContact CG2-CE1 3.73Å; I310-F353 HydrophobicContact CG2-CZ 4.41Å; D312-F353 HydrophobicContact CB-CD1 4.18Å; L333-F353 HydrophobicContact CB-CZ 4.31Å; S351-F353 VanDerWaalsContact C-N 3.26Å; S351-F353 PolarHBondContact O-N 3.39Å; S351-F353 PolarHBondContact OG-N 2.67Å; S351-F353 VanDerWaalsContact OG-N 3.15Å; F353-L355 VanDerWaalsContact C-N 3.28Å; F353-L355 PolarHBondContact O-N 3.47Å; F353-F356 WeakPolarHBondContact O-CB 3.19Å; F353-F356 PolarHBondContact O-N 3.27Å; F353-F356 VanDerWaalsContact O-N 3.11Å; F353-L357 HydrophobicContact CD1-CD1 4.14Å; F353-L357 HydrophobicContact CE1-CD1 3.69Å; F353-L357 HydrophobicContact CE1-CG 4.48Å; F353-L357 HydrophobicContact CZ-CD1 3.89Å; F353-L357 HydrophobicContact CZ-CG 4.38Å; F353-L357 WeakPolarHBondContact O-CG 3.23Å; F353-L357 PolarHBondContact O-N 3.21Å; F353-F422 AromaticContact CE2-CD2 3.78Å; F353-F422 HydrophobicContact CE2-CD2 3.78Å; F353-F422 HydrophobicContact CE2-CE2 4.01Å; F353-F422 AromaticContact CZ-CD2 3.95Å; F353-F422 HydrophobicContact CZ-CD2 3.95Å; F353-F422 HydrophobicContact CZ-CE2 4.22Å; F353-P443 HydrophobicContact CD2-CB 4.17Å; F353-P443 HydrophobicContact CE2-CB 3.91Å |
| 354 | T | 97.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -34.9 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | D167 W170 M171 Y244 D312 S351 F356 L357 H358 | D167-T354 HydrophobicContact CB-CG2 3.96Å; W170-T354 HydrophobicContact CB-CG2 4.28Å; W170-T354 HydrophobicContact CE3-CG2 4.12Å; M171-T354 HydrophobicContact CG-CG2 3.92Å; M171-T354 HydrophobicContact SD-CG2 4.02Å; Y244-T354 HydrophobicContact CE2-CG2 4.37Å; Y244-T354 PolarHBondContact OH-OG1 3.31Å; D312-T354 PolarHBondContact OD2-N 2.89Å; D312-T354 PolarHBondContact OD2-OG1 3.05Å; S351-T354 PolarHBondContact O-N 3.48Å; T354-F356 VanDerWaalsContact C-N 3.34Å; T354-F356 PolarHBondContact O-N 3.06Å; T354-L357 CarbonylContact O-C 3.45Å; T354-L357 PolarHBondContact O-N 2.97Å; T354-H358 VanDerWaalsContact O-CB 3.25Å; T354-H358 WeakPolarHBondContact O-CB 3.37Å; T354-H358 PolarHBondContact O-N 2.83Å |
| 355 | L | 96.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 173.2 | -176.3 | 60 | 0 | 0 | 0 | 112.2 | V111 W170 S351 L352 F353 H358 C359 T362 A363 F366 | V111-L355 HydrophobicContact CG1-CD2 4.15Å; V111-L355 HydrophobicContact CG2-CD1 4.37Å; V111-L355 HydrophobicContact CG2-CD2 4.4Å; W170-L355 HydrophobicContact CE3-CB 4.35Å; W170-L355 HydrophobicContact CE3-CD1 4.44Å; W170-L355 HydrophobicContact CH2-CB 4.13Å; W170-L355 HydrophobicContact CH2-CD1 3.74Å; W170-L355 HydrophobicContact CH2-CG 4.34Å; W170-L355 HydrophobicContact CZ2-CD1 3.85Å; W170-L355 HydrophobicContact CZ3-CB 3.76Å; W170-L355 HydrophobicContact CZ3-CD1 4.06Å; W170-L355 HydrophobicContact CZ3-CG 4.43Å; S351-L355 WeakPolarHBondContact O-CB 3.11Å; S351-L355 PolarHBondContact O-N 2.67Å; L352-L355 PolarHBondContact O-N 2.95Å; F353-L355 VanDerWaalsContact C-N 3.28Å; F353-L355 PolarHBondContact O-N 3.47Å; L355-H358 PolarHBondContact O-N 3.46Å; L355-C359 CarbonylContact O-C 3.49Å; L355-C359 PolarHBondContact O-N 2.67Å; L355-T362 HydrophobicContact CD1-CG2 3.9Å; L355-T362 HydrophobicContact CD2-CG2 4.46Å; L355-A363 HydrophobicContact CB-CB 4.36Å; L355-A363 HydrophobicContact CD2-CB 4.15Å; L355-A363 HydrophobicContact CG-CB 3.84Å; L355-F366 HydrophobicContact CD2-CB 4.22Å; L355-F366 HydrophobicContact CD2-CG 4.35Å |
| 356 | F | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 172.3 | -91.4 | -76.3 | 0 | 0 | 0 | 111.9 | L352 F353 T354 H358 P360 A363 I367 F424 C425 T428 L429 | L352-F356 HydrophobicContact CD1-CD2 3.91Å; L352-F356 HydrophobicContact CD1-CE2 3.72Å; L352-F356 HydrophobicContact CD2-CE2 4.48Å; L352-F356 HydrophobicContact CG-CD2 4.05Å; L352-F356 HydrophobicContact CG-CE2 4.01Å; L352-F356 WeakPolarHBondContact O-CD2 3.25Å; L352-F356 PolarHBondContact O-N 3.44Å; F353-F356 WeakPolarHBondContact O-CB 3.19Å; F353-F356 PolarHBondContact O-N 3.27Å; F353-F356 VanDerWaalsContact O-N 3.11Å; T354-F356 VanDerWaalsContact C-N 3.34Å; T354-F356 PolarHBondContact O-N 3.06Å; F356-H358 PolarHBondContact O-N 3.08Å; F356-P360 HydrophobicContact CD1-CB 4.15Å; F356-P360 VanDerWaalsContact O-CD 3.24Å; F356-P360 WeakPolarHBondContact O-CD 3.21Å; F356-P360 WeakPolarHBondContact O-CG 3.47Å; F356-A363 HydrophobicContact CB-CB 4.12Å; F356-A363 HydrophobicContact CD1-CB 3.54Å; F356-A363 HydrophobicContact CD2-CB 3.52Å; F356-A363 HydrophobicContact CE1-CB 3.7Å; F356-A363 HydrophobicContact CE2-CB 3.69Å; F356-A363 HydrophobicContact CG-CB 3.43Å; F356-A363 VanDerWaalsContact CG-CB 3.43Å; F356-A363 HydrophobicContact CZ-CB 3.77Å; F356-I367 HydrophobicContact CZ-CD1 4.09Å; F356-F424 HydrophobicContact CD1-CD1 4.1Å; F356-F424 AromaticContact CE1-CD1 3.95Å; F356-F424 HydrophobicContact CE1-CD1 3.95Å; F356-F424 HydrophobicContact CE1-CE1 4.05Å; F356-C425 HydrophobicContact CB-CB 3.7Å; F356-C425 HydrophobicContact CD1-CB 3.83Å; F356-C425 HydrophobicContact CD2-CB 4.27Å; F356-C425 VanDerWaalsContact CD2-SG 3.51Å; F356-C425 HydrophobicContact CG-CB 3.68Å; F356-C425 VanDerWaalsContact CG-SG 3.53Å; F356-T428 HydrophobicContact CE1-CG2 4.18Å; F356-T428 HydrophobicContact CZ-CG2 3.94Å; F356-L429 HydrophobicContact CE2-CD1 4.45Å; F356-L429 HydrophobicContact CE2-CD2 3.98Å; F356-L429 HydrophobicContact CE2-CG 4.26Å; F356-L429 HydrophobicContact CZ-CD2 4.24Å |
| 357 | L | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.2 | -23.2 | 175.4 | -61.5 | -178.3 | 0 | 0 | 0 | 112.5 | M171 I310 F353 T354 M418 R421 F422 | M171-L357 HydrophobicContact SD-CB 4.38Å; I310-L357 HydrophobicContact CD1-CD1 4.2Å; I310-L357 HydrophobicContact CG2-CD1 3.58Å; F353-L357 HydrophobicContact CD1-CD1 4.14Å; F353-L357 HydrophobicContact CE1-CD1 3.69Å; F353-L357 HydrophobicContact CE1-CG 4.48Å; F353-L357 HydrophobicContact CZ-CD1 3.89Å; F353-L357 HydrophobicContact CZ-CG 4.38Å; F353-L357 WeakPolarHBondContact O-CG 3.23Å; F353-L357 PolarHBondContact O-N 3.21Å; T354-L357 CarbonylContact O-C 3.45Å; T354-L357 PolarHBondContact O-N 2.97Å; L357-M418 HydrophobicContact CB-SD 4.39Å; L357-R421 HydrophobicContact CD2-CB 4.39Å; L357-R421 WeakPolarHBondContact O-CD 3.32Å; L357-R421 PolarHBondContact O-NH1 3.26Å; L357-F422 HydrophobicContact CD2-CB 4.11Å |
| 358 | H | 96 | Very high | 93.8 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -83.4 | -56.8 | 177.8 | -178.6 | 64.3 | 0 | 0 | 0 | 113.8 | H126 W170 V174 T354 L355 F356 R421 | H126-H358 AromaticContact CD2-CD2 3.87Å; H126-H358 AromaticContact CD2-CE1 3.43Å; H126-H358 PolarHBondContact CD2-CE1 3.43Å; H126-H358 VanDerWaalsContact CD2-CE1 3.43Å; H126-H358 AromaticContact CD2-NE2 2.98Å; H126-H358 PolarHBondContact CD2-NE2 3.2Å; H126-H358 AromaticContact CG-CE1 3.89Å; H126-H358 AromaticContact CG-NE2 3.75Å; H126-H358 AromaticContact NE2-NE2 3.76Å; W170-H358 HydrophobicContact CB-CB 3.85Å; W170-H358 AromaticContact CD1-CD2 3.49Å; W170-H358 VanDerWaalsContact CD1-CD2 3.49Å; W170-H358 AromaticContact CD1-CE1 3.66Å; W170-H358 AromaticContact CD1-CG 3.84Å; W170-H358 AromaticContact CD1-ND1 3.94Å; W170-H358 AromaticContact CD1-NE2 3.38Å; W170-H358 HydrophobicContact CD2-CB 4.46Å; W170-H358 HydrophobicContact CG-CB 4.1Å; W170-H358 AromaticContact CG-CD2 3.67Å; W170-H358 AromaticContact CG-CG 3.63Å; W170-H358 AromaticContact CG-ND1 3.88Å; W170-H358 AromaticContact CG-NE2 3.97Å; W170-H358 AromaticContact NE1-CD2 3.86Å; W170-H358 AromaticContact NE1-NE2 3.88Å; W170-H358 PolarHBondContact O-ND1 3.13Å; V174-H358 HydrophobicContact CG1-CB 4.29Å; V174-H358 WeakPolarHBondContact CG1-ND1 3.41Å; T354-H358 VanDerWaalsContact O-CB 3.25Å; T354-H358 WeakPolarHBondContact O-CB 3.37Å; T354-H358 PolarHBondContact O-N 2.83Å; L355-H358 PolarHBondContact O-N 3.46Å; F356-H358 PolarHBondContact O-N 3.08Å; H358-R421 PolarHBondContact O-NH1 3.35Å; H358-R421 PolarHBondContact O-NH2 3Å |
| 359 | C | 95.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.034 | 10% | 0.098 | C | C | . | . | trans | -151.7 | 97.1 | 179.2 | -174.6 | 0 | 0 | 0 | 0 | 109 | L355 L361 T362 A363 | L355-C359 CarbonylContact O-C 3.49Å; L355-C359 PolarHBondContact O-N 2.67Å; C359-L361 PolarHBondContact O-N 2.92Å; C359-T362 WeakPolarHBondContact O-CB 3.29Å; C359-T362 PolarHBondContact O-N 3.44Å; C359-T362 VanDerWaalsContact O-N 3.09Å; C359-T362 PolarHBondContact SG-OG1 3.39Å; C359-A363 PolarHBondContact O-N 2.89Å | ||
| 360 | P | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.032 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.8 | -32.7 | -176.4 | -24.5 | 31.5 | 0 | 0 | 0 | 113.9 | F356 A363 Y364 Y389 R421 F424 | F356-P360 HydrophobicContact CD1-CB 4.15Å; F356-P360 VanDerWaalsContact O-CD 3.24Å; F356-P360 WeakPolarHBondContact O-CD 3.21Å; F356-P360 WeakPolarHBondContact O-CG 3.47Å; P360-A363 PolarHBondContact O-N 3.48Å; P360-Y364 VanDerWaalsContact O-CB 3.23Å; P360-Y364 WeakPolarHBondContact O-CB 3.34Å; P360-Y364 PolarHBondContact O-N 3.1Å; P360-Y389 VanDerWaalsContact CG-OH 3.32Å; P360-Y389 WeakPolarHBondContact CG-OH 3.45Å; P360-R421 HydrophobicContact CG-CB 3.97Å; P360-R421 HydrophobicContact CG-CG 3.58Å; P360-F424 HydrophobicContact CB-CB 4.39Å; P360-F424 HydrophobicContact CB-CD1 3.39Å; P360-F424 HydrophobicContact CB-CE1 3.7Å; P360-F424 HydrophobicContact CB-CG 3.9Å; P360-F424 HydrophobicContact CB-CZ 4.47Å; P360-F424 HydrophobicContact CG-CD1 4.42Å |
| 361 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 176.9 | -177.9 | 55.2 | 0 | 0 | 0 | 111.6 | C359 A363 Y364 C365 W378 C381 Q382 V385 L467 | C359-L361 PolarHBondContact O-N 2.92Å; L361-A363 VanDerWaalsContact C-N 3.33Å; L361-A363 PolarHBondContact O-N 3.33Å; L361-Y364 PolarHBondContact O-N 3.35Å; L361-C365 WeakPolarHBondContact O-CB 3.22Å; L361-C365 PolarHBondContact O-N 3.06Å; L361-C365 PolarHBondContact O-SG 3.44Å; L361-C365 VanDerWaalsContact O-SG 3.33Å; L361-W378 HydrophobicContact CB-CH2 4.1Å; L361-W378 HydrophobicContact CB-CZ2 4.45Å; L361-W378 HydrophobicContact CB-CZ3 4.46Å; L361-W378 HydrophobicContact CD2-CD2 3.74Å; L361-W378 HydrophobicContact CD2-CE3 3.77Å; L361-W378 HydrophobicContact CD2-CG 4.38Å; L361-W378 HydrophobicContact CD2-CH2 3.94Å; L361-W378 HydrophobicContact CD2-CZ2 3.9Å; L361-W378 HydrophobicContact CD2-CZ3 3.89Å; L361-W378 HydrophobicContact CG-CE3 4.16Å; L361-W378 HydrophobicContact CG-CH2 3.95Å; L361-W378 HydrophobicContact CG-CZ2 4.37Å; L361-W378 HydrophobicContact CG-CZ3 3.84Å; L361-C381 HydrophobicContact CD1-CB 3.64Å; L361-C381 HydrophobicContact CD2-CB 3.73Å; L361-C381 HydrophobicContact CG-CB 4.36Å; L361-Q382 HydrophobicContact CD2-CB 4.21Å; L361-V385 HydrophobicContact CB-CG2 4.34Å; L361-L467 HydrophobicContact CD1-CD1 4.19Å; L361-L467 HydrophobicContact CD1-CD2 4.46Å |
| 362 | T | 96.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 8% | 0.08 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 173.3 | -59.9 | 0 | 0 | 0 | 0 | 111 | V111 V112 L355 C359 C365 F366 W378 | V111-T362 HydrophobicContact CB-CG2 3.62Å; V111-T362 HydrophobicContact CG1-CG2 3.86Å; V111-T362 HydrophobicContact CG2-CG2 4.39Å; V112-T362 HydrophobicContact CB-CG2 4.28Å; V112-T362 HydrophobicContact CG2-CG2 3.86Å; L355-T362 HydrophobicContact CD1-CG2 3.9Å; L355-T362 HydrophobicContact CD2-CG2 4.46Å; C359-T362 WeakPolarHBondContact O-CB 3.29Å; C359-T362 PolarHBondContact O-N 3.44Å; C359-T362 VanDerWaalsContact O-N 3.09Å; C359-T362 PolarHBondContact SG-OG1 3.39Å; T362-C365 PolarHBondContact O-N 3.18Å; T362-F366 WeakPolarHBondContact O-CB 3.34Å; T362-F366 PolarHBondContact O-N 3.19Å; T362-W378 WeakPolarHBondContact OG1-CH2 3.33Å |
| 363 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L352 L355 F356 C359 P360 L361 F366 I367 | L352-A363 HydrophobicContact CD1-CB 4.45Å; L355-A363 HydrophobicContact CB-CB 4.36Å; L355-A363 HydrophobicContact CD2-CB 4.15Å; L355-A363 HydrophobicContact CG-CB 3.84Å; F356-A363 HydrophobicContact CB-CB 4.12Å; F356-A363 HydrophobicContact CD1-CB 3.54Å; F356-A363 HydrophobicContact CD2-CB 3.52Å; F356-A363 HydrophobicContact CE1-CB 3.7Å; F356-A363 HydrophobicContact CE2-CB 3.69Å; F356-A363 HydrophobicContact CG-CB 3.43Å; F356-A363 VanDerWaalsContact CG-CB 3.43Å; F356-A363 HydrophobicContact CZ-CB 3.77Å; C359-A363 PolarHBondContact O-N 2.89Å; P360-A363 PolarHBondContact O-N 3.48Å; L361-A363 VanDerWaalsContact C-N 3.33Å; L361-A363 PolarHBondContact O-N 3.33Å; A363-F366 WeakPolarHBondContact O-CB 3.41Å; A363-F366 PolarHBondContact O-N 2.99Å; A363-I367 PolarHBondContact O-N 3.31Å |
| 364 | Y | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 176.2 | -169.3 | -79.2 | 0 | 0 | 0 | 111.4 | P360 L361 F366 I367 C368 F424 T428 I464 L467 A468 L471 V473 F477 | P360-Y364 VanDerWaalsContact O-CB 3.23Å; P360-Y364 WeakPolarHBondContact O-CB 3.34Å; P360-Y364 PolarHBondContact O-N 3.1Å; L361-Y364 PolarHBondContact O-N 3.35Å; Y364-F366 VanDerWaalsContact C-N 3.29Å; Y364-F366 PolarHBondContact O-N 3.09Å; Y364-I367 WeakPolarHBondContact O-CG1 3.48Å; Y364-I367 PolarHBondContact O-N 3.17Å; Y364-C368 WeakPolarHBondContact O-CB 3.25Å; Y364-C368 PolarHBondContact O-N 2.75Å; Y364-C368 VanDerWaalsContact O-N 3.08Å; Y364-C368 PolarHBondContact O-SG 3.46Å; Y364-F424 AromaticContact CD2-CE1 3.93Å; Y364-F424 HydrophobicContact CD2-CE1 3.93Å; Y364-F424 AromaticContact CD2-CZ 3.98Å; Y364-F424 HydrophobicContact CD2-CZ 3.98Å; Y364-T428 HydrophobicContact CD2-CG2 3.51Å; Y364-T428 HydrophobicContact CE2-CG2 3.76Å; Y364-I464 HydrophobicContact CE2-CG2 4.17Å; Y364-I464 PolarHBondContact OH-O 3.29Å; Y364-I464 VanDerWaalsContact OH-O 3.06Å; Y364-L467 HydrophobicContact CD1-CD2 3.92Å; Y364-L467 HydrophobicContact CD1-CG 4.22Å; Y364-L467 HydrophobicContact CD2-CD2 3.78Å; Y364-L467 HydrophobicContact CE1-CD2 3.95Å; Y364-L467 HydrophobicContact CE1-CG 3.88Å; Y364-L467 HydrophobicContact CE2-CD2 3.79Å; Y364-L467 HydrophobicContact CE2-CG 4.35Å; Y364-L467 HydrophobicContact CG-CD2 3.83Å; Y364-A468 VanDerWaalsContact OH-CA 3.25Å; Y364-A468 WeakPolarHBondContact OH-CA 3.45Å; Y364-A468 WeakPolarHBondContact OH-CB 3.43Å; Y364-A468 PolarHBondContact OH-N 3.48Å; Y364-A468 VanDerWaalsContact OH-N 3.11Å; Y364-L471 HydrophobicContact CD1-CD1 3.73Å; Y364-L471 HydrophobicContact CE1-CD1 3.75Å; Y364-V473 HydrophobicContact CE1-CG2 4.25Å; Y364-F477 HydrophobicContact CD2-CZ 4.4Å; Y364-F477 HydrophobicContact CE1-CE2 4.11Å; Y364-F477 HydrophobicContact CE1-CZ 4.18Å; Y364-F477 HydrophobicContact CE2-CE1 4.16Å; Y364-F477 HydrophobicContact CE2-CE2 4.15Å; Y364-F477 AromaticContact CE2-CZ 3.48Å; Y364-F477 HydrophobicContact CE2-CZ 3.48Å; Y364-F477 VanDerWaalsContact CE2-CZ 3.48Å; Y364-F477 AromaticContact CZ-CE2 3.53Å; Y364-F477 AromaticContact CZ-CZ 3.35Å; Y364-F477 WeakPolarHBondContact OH-CE2 3.45Å; Y364-F477 WeakPolarHBondContact OH-CZ 3.4Å |
| 365 | C | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 173.9 | -75 | 0 | 0 | 0 | 0 | 111.4 | V112 L361 T362 C368 N369 I370 | V112-C365 HydrophobicContact CG2-CB 3.61Å; L361-C365 WeakPolarHBondContact O-CB 3.22Å; L361-C365 PolarHBondContact O-N 3.06Å; L361-C365 PolarHBondContact O-SG 3.44Å; L361-C365 VanDerWaalsContact O-SG 3.33Å; T362-C365 PolarHBondContact O-N 3.18Å; C365-C368 CarbonylContact O-C 3.54Å; C365-C368 PolarHBondContact O-N 2.93Å; C365-N369 PolarHBondContact O-N 3.08Å; C365-N369 VanDerWaalsContact O-N 3.08Å; C365-I370 HydrophobicContact CB-CB 3.95Å; C365-I370 HydrophobicContact CB-CG2 4.27Å; C365-I370 PolarHBondContact O-N 3.43Å |
| 366 | F | 95.2 | Very high | 96.1 | Very high | 59 Ų | 59 | 30.9 Ų | 30.9 | 26% | 0.259 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 179.7 | 174.4 | -100.1 | 0 | 0 | 0 | 112.8 | V111 L343 L352 L355 T362 A363 Y364 C368 N369 | V111-F366 HydrophobicContact CG1-CB 3.85Å; V111-F366 HydrophobicContact CG1-CD2 3.62Å; V111-F366 HydrophobicContact CG1-CG 4.04Å; L343-F366 HydrophobicContact CD2-CE1 3.76Å; L343-F366 HydrophobicContact CD2-CZ 4.07Å; L352-F366 HydrophobicContact CD1-CD1 3.96Å; L352-F366 HydrophobicContact CD1-CE1 4.36Å; L355-F366 HydrophobicContact CD2-CB 4.22Å; L355-F366 HydrophobicContact CD2-CG 4.35Å; T362-F366 WeakPolarHBondContact O-CB 3.34Å; T362-F366 PolarHBondContact O-N 3.19Å; A363-F366 WeakPolarHBondContact O-CB 3.41Å; A363-F366 PolarHBondContact O-N 2.99Å; Y364-F366 VanDerWaalsContact C-N 3.29Å; Y364-F366 PolarHBondContact O-N 3.09Å; F366-C368 PolarHBondContact O-N 3.2Å; F366-N369 PolarHBondContact O-N 2.98Å; F366-N369 VanDerWaalsContact O-N 3.07Å |
| 367 | I | 95.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -27.3 | 178.1 | 63.9 | 172.4 | 0 | 0 | 0 | 112.3 | L352 F356 A363 Y364 N369 T428 L429 F435 | L352-I367 HydrophobicContact CD1-CG2 3.71Å; L352-I367 HydrophobicContact CD2-CG2 3.9Å; L352-I367 HydrophobicContact CG-CG2 4.47Å; F356-I367 HydrophobicContact CZ-CD1 4.09Å; A363-I367 PolarHBondContact O-N 3.31Å; Y364-I367 WeakPolarHBondContact O-CG1 3.48Å; Y364-I367 PolarHBondContact O-N 3.17Å; I367-N369 PolarHBondContact O-N 3.46Å; I367-T428 HydrophobicContact CD1-CG2 3.62Å; I367-L429 HydrophobicContact CD1-CD2 4.03Å; I367-F435 HydrophobicContact CB-CE2 4.32Å; I367-F435 HydrophobicContact CG2-CE2 4.24Å; I367-F435 HydrophobicContact CG2-CZ 4.01Å |
| 368 | C | 95.4 | Very high | 96 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 7.4 | 173.4 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | Y364 C365 F366 I370 V473 | Y364-C368 WeakPolarHBondContact O-CB 3.25Å; Y364-C368 PolarHBondContact O-N 2.75Å; Y364-C368 VanDerWaalsContact O-N 3.08Å; Y364-C368 PolarHBondContact O-SG 3.46Å; C365-C368 CarbonylContact O-C 3.54Å; C365-C368 PolarHBondContact O-N 2.93Å; F366-C368 PolarHBondContact O-N 3.2Å; C368-I370 VanDerWaalsContact C-N 3.29Å; C368-I370 HydrophobicContact CB-CD1 4.27Å; C368-I370 HydrophobicContact CB-CG1 4.31Å; C368-I370 PolarHBondContact O-N 3.08Å; C368-V473 HydrophobicContact CB-CB 4.14Å; C368-V473 HydrophobicContact CB-CG1 4.04Å; C368-V473 HydrophobicContact CB-CG2 4.03Å |
| 369 | N | 94 | Very high | 96 | Very high | 118 Ų | 118 | 36.4 Ų | 36.4 | 63% | 0.631 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 33.3 | 179.8 | -160.7 | 59.9 | 0 | 0 | 0 | 114.5 | R346 C365 F366 I367 | R346-N369 PolarHBondContact NH2-OD1 2.91Å; C365-N369 PolarHBondContact O-N 3.08Å; C365-N369 VanDerWaalsContact O-N 3.08Å; F366-N369 PolarHBondContact O-N 2.98Å; F366-N369 VanDerWaalsContact O-N 3.07Å; I367-N369 PolarHBondContact O-N 3.46Å |
| 370 | I | 95.7 | Very high | 96 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | trans | -97.1 | 120.2 | 173.5 | -59 | 174.7 | 0 | 0 | 0 | 108.7 | C365 C368 L373 L471 V473 | C365-I370 HydrophobicContact CB-CB 3.95Å; C365-I370 HydrophobicContact CB-CG2 4.27Å; C365-I370 PolarHBondContact O-N 3.43Å; C368-I370 VanDerWaalsContact C-N 3.29Å; C368-I370 HydrophobicContact CB-CD1 4.27Å; C368-I370 HydrophobicContact CB-CG1 4.31Å; C368-I370 PolarHBondContact O-N 3.08Å; I370-L373 HydrophobicContact CG2-CD1 4.11Å; I370-L471 HydrophobicContact CD1-CB 3.96Å; I370-L471 HydrophobicContact CD1-CD1 4.19Å; I370-L471 HydrophobicContact CD1-CD2 4.06Å; I370-L471 HydrophobicContact CD1-CG 4.3Å; I370-V473 HydrophobicContact CD1-CG1 3.93Å; I370-V473 HydrophobicContact CG1-CG1 4.4Å | ||
| 371 | S | 94 | Very high | 96 | Very high | 84 Ų | 84 | 42.4 Ų | 42.4 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | trans | -112.2 | -11.5 | -179.5 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | N113 | N113-S371 PolarHBondContact N-O 3.39Š| ||
| 372 | R | 96 | Very high | 95.9 | Very high | 134 Ų | 134 | 44.6 Ų | 44.6 | 51% | 0.506 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134.4 | -179.1 | -173.1 | 178.5 | -178.6 | -174.6 | -2.9 | 109.9 | N113 V115 S119 | N113-R372 WeakPolarHBondContact O-CA 3.33Å; V115-R372 HydrophobicContact CG1-CG 4.39Å; V115-R372 HydrophobicContact CG2-CG 4.33Å; S119-R372 PolarHBondContact OG-NH2 3.15Å |
| 373 | L | 95.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 134.5 | -178.9 | -154.2 | 72.7 | 0 | 0 | 0 | 111 | V112 N113 V114 V115 I370 L377 W378 L471 | V112-L373 HydrophobicContact CG1-CB 4.3Å; N113-L373 PolarHBondContact O-N 2.97Å; V114-L373 CarbonylContact C-O 3.58Å; V114-L373 VanDerWaalsContact CA-O 3.29Å; V114-L373 WeakPolarHBondContact CA-O 3.4Å; V115-L373 PolarHBondContact N-O 2.99Å; I370-L373 HydrophobicContact CG2-CD1 4.11Å; L373-L377 HydrophobicContact CD1-CB 4.47Å; L373-L377 HydrophobicContact CD1-CD2 3.55Å; L373-L377 HydrophobicContact CD1-CG 3.96Å; L373-L377 HydrophobicContact CD2-CB 4.5Å; L373-L377 HydrophobicContact CD2-CG 4.31Å; L373-L377 HydrophobicContact CG-CB 4.17Å; L373-L377 HydrophobicContact CG-CD2 4.17Å; L373-L377 HydrophobicContact CG-CG 4.13Å; L373-W378 HydrophobicContact CD2-CB 3.89Å; L373-W378 HydrophobicContact CD2-CE3 3.95Å; L373-L471 HydrophobicContact CD1-CD2 3.7Å; L373-L471 HydrophobicContact CD2-CD2 4.19Å |
| 374 | P | 96.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 143.4 | 167.3 | -20.5 | 32.7 | 0 | 0 | 0 | 111.1 | V115 S376 L377 W378 | V115-P374 CarbonylContact O-C 3.56Å; V115-P374 WeakPolarHBondContact O-CA 3.45Å; P374-S376 VanDerWaalsContact C-N 3.28Å; P374-S376 PolarHBondContact O-N 3.23Å; P374-L377 HydrophobicContact CB-CB 4.45Å; P374-L377 PolarHBondContact O-N 3.43Å; P374-W378 PolarHBondContact O-N 3.2Å |
| 375 | L | 95.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.7 | -42.3 | -178.9 | 177.3 | 63.8 | 0 | 0 | 0 | 111.9 | V114 V115 V122 L377 W378 D379 | V114-L375 HydrophobicContact CG1-CB 4.14Å; V114-L375 HydrophobicContact CG1-CD1 3.87Å; V115-L375 WeakPolarHBondContact O-CB 3.39Å; V115-L375 PolarHBondContact O-N 3.01Å; V122-L375 HydrophobicContact CG1-CD1 4.29Å; V122-L375 HydrophobicContact CG2-CD2 4.32Å; L375-L377 PolarHBondContact O-N 3.45Å; L375-W378 WeakPolarHBondContact O-CB 3.41Å; L375-W378 PolarHBondContact O-N 2.98Å; L375-W378 VanDerWaalsContact O-N 3.15Å; L375-D379 PolarHBondContact O-N 2.9Å |
| 376 | S | 95.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.8 | -30.2 | 178.1 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | P374 K380 | P374-S376 VanDerWaalsContact C-N 3.28Å; P374-S376 PolarHBondContact O-N 3.23Å; S376-K380 WeakPolarHBondContact O-CG 3.41Å; S376-K380 PolarHBondContact O-N 3.06Å |
| 377 | L | 96.8 | Very high | 95.7 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80.8 | -37.9 | 175 | -175.7 | 56.9 | 0 | 0 | 0 | 111 | L373 P374 L375 D379 K380 C381 T470 L471 | L373-L377 HydrophobicContact CD1-CB 4.47Å; L373-L377 HydrophobicContact CD1-CD2 3.55Å; L373-L377 HydrophobicContact CD1-CG 3.96Å; L373-L377 HydrophobicContact CD2-CB 4.5Å; L373-L377 HydrophobicContact CD2-CG 4.31Å; L373-L377 HydrophobicContact CG-CB 4.17Å; L373-L377 HydrophobicContact CG-CD2 4.17Å; L373-L377 HydrophobicContact CG-CG 4.13Å; P374-L377 HydrophobicContact CB-CB 4.45Å; P374-L377 PolarHBondContact O-N 3.43Å; L375-L377 PolarHBondContact O-N 3.45Å; L377-D379 PolarHBondContact O-N 2.89Å; L377-K380 PolarHBondContact O-N 3.14Å; L377-C381 PolarHBondContact O-N 3.26Å; L377-C381 PolarHBondContact O-SG 3.26Å; L377-T470 HydrophobicContact CD1-CG2 3.84Å; L377-L471 HydrophobicContact CD2-CD2 4.36Å; L377-L471 HydrophobicContact CG-CD2 4.38Å |
| 378 | W | 96.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 54 Ų | 54 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.6 | -50.9 | 171.4 | 178.8 | -86.5 | 0 | 0 | 0 | 111.4 | V112 V114 V124 L361 T362 L373 P374 L375 K380 C381 Q382 | V112-W378 HydrophobicContact CG1-CZ3 4.27Å; V114-W378 HydrophobicContact CG1-CB 3.95Å; V114-W378 HydrophobicContact CG1-CG 4.12Å; V114-W378 HydrophobicContact CG2-CB 4.47Å; V114-W378 HydrophobicContact CG2-CD2 3.62Å; V114-W378 HydrophobicContact CG2-CE3 3.38Å; V114-W378 HydrophobicContact CG2-CG 4.09Å; V114-W378 HydrophobicContact CG2-CZ3 3.89Å; V124-W378 HydrophobicContact CB-CZ2 4.42Å; V124-W378 HydrophobicContact CG1-CZ2 3.9Å; V124-W378 HydrophobicContact CG2-CZ2 4.27Å; L361-W378 HydrophobicContact CB-CH2 4.1Å; L361-W378 HydrophobicContact CB-CZ2 4.45Å; L361-W378 HydrophobicContact CB-CZ3 4.46Å; L361-W378 HydrophobicContact CD2-CD2 3.74Å; L361-W378 HydrophobicContact CD2-CE3 3.77Å; L361-W378 HydrophobicContact CD2-CG 4.38Å; L361-W378 HydrophobicContact CD2-CH2 3.94Å; L361-W378 HydrophobicContact CD2-CZ2 3.9Å; L361-W378 HydrophobicContact CD2-CZ3 3.89Å; L361-W378 HydrophobicContact CG-CE3 4.16Å; L361-W378 HydrophobicContact CG-CH2 3.95Å; L361-W378 HydrophobicContact CG-CZ2 4.37Å; L361-W378 HydrophobicContact CG-CZ3 3.84Å; T362-W378 WeakPolarHBondContact OG1-CH2 3.33Å; L373-W378 HydrophobicContact CD2-CB 3.89Å; L373-W378 HydrophobicContact CD2-CE3 3.95Å; P374-W378 PolarHBondContact O-N 3.2Å; L375-W378 WeakPolarHBondContact O-CB 3.41Å; L375-W378 PolarHBondContact O-N 2.98Å; L375-W378 VanDerWaalsContact O-N 3.15Å; W378-K380 VanDerWaalsContact C-N 3.33Å; W378-K380 PolarHBondContact O-N 2.93Å; W378-C381 PolarHBondContact O-N 3.18Å; W378-C381 VanDerWaalsContact O-N 3.16Å; W378-Q382 WeakPolarHBondContact O-CB 3.46Å; W378-Q382 PolarHBondContact O-N 3.4Å |
| 379 | D | 94.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | -177.8 | -66.6 | -27.2 | 0 | 0 | 0 | 112 | R189 L375 L377 Q382 A383 | R189-D379 IonicContact NH1-OD1 2.86Å; L375-D379 PolarHBondContact O-N 2.9Å; L377-D379 PolarHBondContact O-N 2.89Å; D379-Q382 PolarHBondContact O-N 2.83Å; D379-A383 PolarHBondContact O-N 3.34Å |
| 380 | K | 96.7 | Very high | 96 | Very high | 135 Ų | 135 | 49.8 Ų | 49.8 | 59% | 0.587 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 173.8 | -74 | 174.5 | -176.1 | -179.3 | 0 | 112.3 | S376 L377 W378 A383 Q384 | S376-K380 WeakPolarHBondContact O-CG 3.41Å; S376-K380 PolarHBondContact O-N 3.06Å; L377-K380 PolarHBondContact O-N 3.14Å; W378-K380 VanDerWaalsContact C-N 3.33Å; W378-K380 PolarHBondContact O-N 2.93Å; K380-A383 PolarHBondContact O-N 3.3Å; K380-Q384 PolarHBondContact O-N 3.08Å |
| 381 | C | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 178.5 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | L361 L377 W378 A383 Q384 V385 L467 L471 | L361-C381 HydrophobicContact CD1-CB 3.64Å; L361-C381 HydrophobicContact CD2-CB 3.73Å; L361-C381 HydrophobicContact CG-CB 4.36Å; L377-C381 PolarHBondContact O-N 3.26Å; L377-C381 PolarHBondContact O-SG 3.26Å; W378-C381 PolarHBondContact O-N 3.18Å; W378-C381 VanDerWaalsContact O-N 3.16Å; C381-A383 VanDerWaalsContact C-N 3.32Å; C381-A383 PolarHBondContact O-N 3.13Å; C381-Q384 WeakPolarHBondContact O-CA 3.17Å; C381-Q384 WeakPolarHBondContact O-CB 3.49Å; C381-Q384 PolarHBondContact O-N 3.34Å; C381-V385 PolarHBondContact O-N 3.21Å; C381-L467 HydrophobicContact CB-CD1 3.54Å; C381-L471 VanDerWaalsContact SG-CD2 3.54Å |
| 382 | Q | 95.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 47 Ų | 47 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.4 | -176.6 | 58.1 | 37.8 | 0 | 0 | 111 | L361 W378 D379 Q384 V385 E386 | L361-Q382 HydrophobicContact CD2-CB 4.21Å; W378-Q382 WeakPolarHBondContact O-CB 3.46Å; W378-Q382 PolarHBondContact O-N 3.4Å; D379-Q382 PolarHBondContact O-N 2.83Å; Q382-Q384 VanDerWaalsContact C-N 3.25Å; Q382-Q384 PolarHBondContact O-N 3.1Å; Q382-V385 WeakPolarHBondContact O-CB 3.36Å; Q382-V385 PolarHBondContact O-N 2.95Å; Q382-V385 VanDerWaalsContact O-N 3.12Å; Q382-E386 WeakPolarHBondContact O-CG 3.26Å; Q382-E386 PolarHBondContact O-N 3.42Å |
| 383 | A | 94.7 | Very high | 96.2 | Very high | 39 Ų | 39 | 41 Ų | 41 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -29.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D379 K380 C381 K387 | D379-A383 PolarHBondContact O-N 3.34Å; K380-A383 PolarHBondContact O-N 3.3Å; C381-A383 VanDerWaalsContact C-N 3.32Å; C381-A383 PolarHBondContact O-N 3.13Å; A383-K387 WeakPolarHBondContact O-CG 3.37Å; A383-K387 PolarHBondContact O-N 3.28Å; A383-K387 VanDerWaalsContact O-N 3.1Å |
| 384 | Q | 96.4 | Very high | 96.1 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.9 | -38.9 | 172.4 | -73.5 | 174 | -29.4 | 0 | 0 | 112.2 | K380 C381 Q382 E386 K387 F388 D466 L467 T470 | K380-Q384 PolarHBondContact O-N 3.08Å; C381-Q384 WeakPolarHBondContact O-CA 3.17Å; C381-Q384 WeakPolarHBondContact O-CB 3.49Å; C381-Q384 PolarHBondContact O-N 3.34Å; Q382-Q384 VanDerWaalsContact C-N 3.25Å; Q382-Q384 PolarHBondContact O-N 3.1Å; Q384-E386 VanDerWaalsContact C-N 3.29Å; Q384-E386 PolarHBondContact O-N 3.16Å; Q384-K387 WeakPolarHBondContact O-CB 3.44Å; Q384-K387 PolarHBondContact O-N 3Å; Q384-F388 PolarHBondContact O-N 3.31Å; Q384-D466 PolarHBondContact NE2-O 3.49Å; Q384-L467 VanDerWaalsContact OE1-CA 3.27Å; Q384-T470 PolarHBondContact NE2-OG1 3Å; Q384-T470 PolarHBondContact OE1-OG1 3.44Å |
| 385 | V | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 172.3 | 177 | 0 | 0 | 0 | 0 | 110.7 | L361 C381 Q382 F388 Y389 F424 L467 | L361-V385 HydrophobicContact CB-CG2 4.34Å; C381-V385 PolarHBondContact O-N 3.21Å; Q382-V385 WeakPolarHBondContact O-CB 3.36Å; Q382-V385 PolarHBondContact O-N 2.95Å; Q382-V385 VanDerWaalsContact O-N 3.12Å; V385-F388 WeakPolarHBondContact O-CA 3.01Å; V385-F388 VanDerWaalsContact O-CB 3.32Å; V385-F388 WeakPolarHBondContact O-CB 3.21Å; V385-F388 PolarHBondContact O-N 3.28Å; V385-F388 VanDerWaalsContact O-N 3.15Å; V385-Y389 HydrophobicContact CG1-CD1 4.49Å; V385-Y389 HydrophobicContact CG1-CE1 3.86Å; V385-Y389 HydrophobicContact CG1-CE2 3.96Å; V385-Y389 PolarHBondContact O-N 3.36Å; V385-F424 HydrophobicContact CB-CE2 4.42Å; V385-F424 HydrophobicContact CG1-CD2 4.32Å; V385-F424 HydrophobicContact CG1-CE2 4.24Å; V385-F424 HydrophobicContact CG2-CE2 3.87Å; V385-F424 HydrophobicContact CG2-CZ 4.03Å; V385-L467 HydrophobicContact CG2-CD2 4.34Å |
| 386 | E | 94.9 | Very high | 96.1 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 175.2 | -72.2 | 166.7 | -168.9 | 0 | 0 | 112.6 | Q382 Q384 F388 Y389 A390 | Q382-E386 WeakPolarHBondContact O-CG 3.26Å; Q382-E386 PolarHBondContact O-N 3.42Å; Q384-E386 VanDerWaalsContact C-N 3.29Å; Q384-E386 PolarHBondContact O-N 3.16Å; E386-F388 VanDerWaalsContact C-N 3.31Å; E386-F388 PolarHBondContact O-N 2.85Å; E386-Y389 WeakPolarHBondContact O-CB 3.45Å; E386-Y389 PolarHBondContact O-N 3.44Å; E386-A390 PolarHBondContact O-N 2.79Å |
| 387 | K | 96.3 | Very high | 96 | Very high | 127 Ų | 127 | 40.1 Ų | 40.1 | 55% | 0.552 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62 | -40.1 | 170.6 | -72.3 | 170 | -174.5 | 175.7 | 0 | 111.6 | A383 Q384 Y389 A390 E391 L463 | A383-K387 WeakPolarHBondContact O-CG 3.37Å; A383-K387 PolarHBondContact O-N 3.28Å; A383-K387 VanDerWaalsContact O-N 3.1Å; Q384-K387 WeakPolarHBondContact O-CB 3.44Å; Q384-K387 PolarHBondContact O-N 3Å; K387-Y389 VanDerWaalsContact C-N 3.34Å; K387-A390 PolarHBondContact O-N 3.46Å; K387-E391 PolarHBondContact O-N 3.08Å; K387-L463 HydrophobicContact CB-CD1 4.45Å; K387-L463 HydrophobicContact CB-CD2 3.97Å |
| 388 | F | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 173.5 | 178.8 | -76 | 0 | 0 | 0 | 110.5 | Q384 V385 E386 A390 E391 A392 L423 F424 C427 L460 L463 I464 | Q384-F388 PolarHBondContact O-N 3.31Å; V385-F388 WeakPolarHBondContact O-CA 3.01Å; V385-F388 VanDerWaalsContact O-CB 3.32Å; V385-F388 WeakPolarHBondContact O-CB 3.21Å; V385-F388 PolarHBondContact O-N 3.28Å; V385-F388 VanDerWaalsContact O-N 3.15Å; E386-F388 VanDerWaalsContact C-N 3.31Å; E386-F388 PolarHBondContact O-N 2.85Å; F388-A390 PolarHBondContact O-N 3.47Å; F388-E391 PolarHBondContact O-N 3.39Å; F388-A392 HydrophobicContact CD1-CB 4.34Å; F388-A392 HydrophobicContact CE1-CB 4.04Å; F388-A392 WeakPolarHBondContact O-CB 3.38Å; F388-A392 PolarHBondContact O-N 3.22Å; F388-L423 HydrophobicContact CE1-CB 4.34Å; F388-L423 HydrophobicContact CZ-CB 4.49Å; F388-F424 HydrophobicContact CB-CD2 4.22Å; F388-F424 HydrophobicContact CB-CE2 4.46Å; F388-F424 HydrophobicContact CD1-CB 4.14Å; F388-F424 AromaticContact CD1-CD2 3.66Å; F388-F424 HydrophobicContact CD1-CD2 3.66Å; F388-F424 HydrophobicContact CD1-CG 4.39Å; F388-F424 HydrophobicContact CD2-CD2 4.02Å; F388-F424 HydrophobicContact CD2-CE2 4.46Å; F388-F424 HydrophobicContact CE1-CB 3.72Å; F388-F424 AromaticContact CE1-CD2 3.99Å; F388-F424 HydrophobicContact CE1-CD2 3.99Å; F388-F424 HydrophobicContact CE1-CG 4.33Å; F388-F424 HydrophobicContact CE2-CD2 4.29Å; F388-F424 AromaticContact CG-CD2 3.7Å; F388-F424 HydrophobicContact CG-CD2 3.7Å; F388-F424 HydrophobicContact CG-CE2 4.29Å; F388-F424 HydrophobicContact CZ-CB 4.13Å; F388-F424 HydrophobicContact CZ-CD2 4.3Å; F388-C427 HydrophobicContact CE2-CB 4.04Å; F388-C427 HydrophobicContact CZ-CB 4.13Å; F388-L460 HydrophobicContact CD2-CB 4.3Å; F388-L460 HydrophobicContact CD2-CD2 4.12Å; F388-L460 HydrophobicContact CE2-CB 3.76Å; F388-L460 HydrophobicContact CE2-CD1 4.24Å; F388-L460 HydrophobicContact CE2-CD2 4.03Å; F388-L460 HydrophobicContact CE2-CG 4.22Å; F388-L460 HydrophobicContact CG-CD2 4.49Å; F388-L460 HydrophobicContact CZ-CB 4.41Å; F388-L460 HydrophobicContact CZ-CD1 4.06Å; F388-L460 HydrophobicContact CZ-CD2 4.3Å; F388-L460 HydrophobicContact CZ-CG 4.5Å; F388-L463 HydrophobicContact CB-CB 4.38Å; F388-L463 HydrophobicContact CB-CD1 4.26Å; F388-L463 HydrophobicContact CD2-CB 4.36Å; F388-I464 HydrophobicContact CD2-CD1 3.97Å; F388-I464 HydrophobicContact CD2-CG1 4.22Å; F388-I464 HydrophobicContact CE2-CD1 3.96Å; F388-I464 HydrophobicContact CE2-CG1 4.05Å |
| 389 | Y | 97.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 176.8 | -67.4 | -13.9 | 0 | 0 | 0 | 112.8 | P360 V385 E386 K387 E391 A392 S393 L420 R421 | P360-Y389 VanDerWaalsContact CG-OH 3.32Å; P360-Y389 WeakPolarHBondContact CG-OH 3.45Å; V385-Y389 HydrophobicContact CG1-CD1 4.49Å; V385-Y389 HydrophobicContact CG1-CE1 3.86Å; V385-Y389 HydrophobicContact CG1-CE2 3.96Å; V385-Y389 PolarHBondContact O-N 3.36Å; E386-Y389 WeakPolarHBondContact O-CB 3.45Å; E386-Y389 PolarHBondContact O-N 3.44Å; K387-Y389 VanDerWaalsContact C-N 3.34Å; Y389-E391 VanDerWaalsContact C-N 3.29Å; Y389-E391 PolarHBondContact O-N 3.4Å; Y389-A392 PolarHBondContact O-N 3.37Å; Y389-S393 WeakPolarHBondContact O-CB 3.48Å; Y389-S393 PolarHBondContact O-N 3.47Å; Y389-L420 HydrophobicContact CD1-CB 3.69Å; Y389-L420 HydrophobicContact CD1-CD1 4.49Å; Y389-L420 HydrophobicContact CE1-CB 3.99Å; Y389-L420 HydrophobicContact CG-CB 4.2Å; Y389-L420 HydrophobicContact CG-CD1 4.19Å; Y389-R421 WeakPolarHBondContact OH-CG 3.34Å |
| 390 | A | 95.7 | Very high | 95.6 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P134 E386 K387 F388 K394 | P134-A390 HydrophobicContact CG-CB 4.3Å; E386-A390 PolarHBondContact O-N 2.79Å; K387-A390 PolarHBondContact O-N 3.46Å; F388-A390 PolarHBondContact O-N 3.47Å; A390-K394 WeakPolarHBondContact O-CG 3.45Å; A390-K394 PolarHBondContact O-N 2.94Å |
| 391 | E | 96.7 | Very high | 95.6 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -76 | -45.8 | 178.2 | -164.7 | 63.3 | -171 | 0 | 0 | 112.1 | K387 F388 Y389 S393 K394 L395 L460 L463 | K387-E391 PolarHBondContact O-N 3.08Å; F388-E391 PolarHBondContact O-N 3.39Å; Y389-E391 VanDerWaalsContact C-N 3.29Å; Y389-E391 PolarHBondContact O-N 3.4Å; E391-S393 VanDerWaalsContact C-N 3.26Å; E391-S393 PolarHBondContact O-N 3.46Å; E391-K394 PolarHBondContact O-N 2.85Å; E391-K394 VanDerWaalsContact O-N 3.15Å; E391-K394 IonicContact OE2-NZ 2.81Å; E391-K394 PolarHBondContact OE2-NZ 2.81Å; E391-L395 WeakPolarHBondContact O-CG 3.43Å; E391-L395 PolarHBondContact O-N 2.96Å; E391-L395 VanDerWaalsContact O-N 3.14Å; E391-L460 HydrophobicContact CB-CD2 3.83Å; E391-L460 HydrophobicContact CG-CD2 3.93Å; E391-L463 HydrophobicContact CB-CD1 4.13Å |
| 392 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F388 Y389 L395 L396 L420 L423 L460 | F388-A392 HydrophobicContact CD1-CB 4.34Å; F388-A392 HydrophobicContact CE1-CB 4.04Å; F388-A392 WeakPolarHBondContact O-CB 3.38Å; F388-A392 PolarHBondContact O-N 3.22Å; Y389-A392 PolarHBondContact O-N 3.37Å; A392-L395 PolarHBondContact O-N 2.7Å; A392-L396 WeakPolarHBondContact O-CB 3.43Å; A392-L396 WeakPolarHBondContact O-CG 3.46Å; A392-L396 PolarHBondContact O-N 2.67Å; A392-L420 HydrophobicContact CB-CD2 3.78Å; A392-L423 HydrophobicContact CB-CD1 4.17Å; A392-L460 HydrophobicContact CB-CD1 4.33Å; A392-L460 HydrophobicContact CB-CD2 4.06Å |
| 393 | S | 95.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -49.8 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | Y389 E391 L395 L396 L397 Y410 | Y389-S393 WeakPolarHBondContact O-CB 3.48Å; Y389-S393 PolarHBondContact O-N 3.47Å; E391-S393 VanDerWaalsContact C-N 3.26Å; E391-S393 PolarHBondContact O-N 3.46Å; S393-L395 VanDerWaalsContact C-N 3.31Å; S393-L395 PolarHBondContact O-N 3.31Å; S393-L396 PolarHBondContact O-N 3.42Å; S393-L397 WeakPolarHBondContact O-CG 3.37Å; S393-L397 PolarHBondContact O-N 3.49Å; S393-Y410 WeakPolarHBondContact CA-OH 3.5Å; S393-Y410 WeakPolarHBondContact CB-OH 3.48Å; S393-Y410 PolarHBondContact OG-OH 3.41Å |
| 394 | K | 94.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 38% | 0.378 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 178.5 | -66.1 | 170 | -154.1 | 158.8 | 0 | 111.5 | A390 E391 R398 | A390-K394 WeakPolarHBondContact O-CG 3.45Å; A390-K394 PolarHBondContact O-N 2.94Å; E391-K394 PolarHBondContact O-N 2.85Å; E391-K394 VanDerWaalsContact O-N 3.15Å; E391-K394 IonicContact OE2-NZ 2.81Å; E391-K394 PolarHBondContact OE2-NZ 2.81Å; K394-R398 VanDerWaalsContact O-CB 3.22Å; K394-R398 WeakPolarHBondContact O-CB 3.47Å; K394-R398 WeakPolarHBondContact O-CG 3.34Å; K394-R398 PolarHBondContact O-N 3.35Å |
| 395 | L | 95.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 178.9 | -64.1 | 172.1 | 0 | 0 | 0 | 110.9 | E391 A392 S393 L397 R398 S399 I454 H457 L460 | E391-L395 WeakPolarHBondContact O-CG 3.43Å; E391-L395 PolarHBondContact O-N 2.96Å; E391-L395 VanDerWaalsContact O-N 3.14Å; A392-L395 PolarHBondContact O-N 2.7Å; S393-L395 VanDerWaalsContact C-N 3.31Å; S393-L395 PolarHBondContact O-N 3.31Å; L395-L397 VanDerWaalsContact C-N 3.35Å; L395-L397 PolarHBondContact O-N 2.91Å; L395-R398 PolarHBondContact O-N 3.04Å; L395-S399 WeakPolarHBondContact O-CB 3.45Å; L395-S399 PolarHBondContact O-N 3Å; L395-I454 HydrophobicContact CB-CG1 4.16Å; L395-H457 HydrophobicContact CD1-CB 3.83Å; L395-L460 HydrophobicContact CD1-CD1 3.9Å; L395-L460 HydrophobicContact CD1-CD2 4.23Å; L395-L460 HydrophobicContact CD1-CG 3.89Å |
| 396 | L | 95.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 178 | -76.8 | 168.5 | 0 | 0 | 0 | 113.2 | A392 S393 V402 Y410 I419 L420 L423 F449 I454 | A392-L396 WeakPolarHBondContact O-CB 3.43Å; A392-L396 WeakPolarHBondContact O-CG 3.46Å; A392-L396 PolarHBondContact O-N 2.67Å; S393-L396 PolarHBondContact O-N 3.42Å; L396-V402 HydrophobicContact CD2-CG1 4.21Å; L396-V402 HydrophobicContact CD2-CG2 4.19Å; L396-Y410 HydrophobicContact CB-CE2 4.49Å; L396-Y410 HydrophobicContact CD1-CD2 3.88Å; L396-Y410 HydrophobicContact CD1-CE2 3.48Å; L396-Y410 VanDerWaalsContact CD1-CE2 3.48Å; L396-I419 HydrophobicContact CD1-CG2 3.75Å; L396-I419 HydrophobicContact CD2-CG2 4.4Å; L396-L420 HydrophobicContact CD1-CD2 4.13Å; L396-L423 HydrophobicContact CD1-CD1 3.73Å; L396-L423 HydrophobicContact CD2-CD1 4.14Å; L396-L423 HydrophobicContact CG-CD1 4.01Å; L396-F449 HydrophobicContact CD2-CD1 4.3Å; L396-F449 HydrophobicContact CD2-CE1 3.62Å; L396-F449 HydrophobicContact CD2-CZ 4.33Å; L396-I454 HydrophobicContact CD2-CD1 3.93Å; L396-I454 HydrophobicContact CG-CD1 4.49Å |
| 397 | L | 93.5 | Very high | 95.1 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -79.3 | -33 | -177.1 | -65.5 | 173.7 | 0 | 0 | 0 | 112.7 | L136 D140 S393 L395 Y410 | L136-L397 HydrophobicContact CD1-CD1 3.83Å; L136-L397 HydrophobicContact CD1-CD2 3.94Å; D140-L397 HydrophobicContact CB-CD2 4.18Å; S393-L397 WeakPolarHBondContact O-CG 3.37Å; S393-L397 PolarHBondContact O-N 3.49Å; L395-L397 VanDerWaalsContact C-N 3.35Å; L395-L397 PolarHBondContact O-N 2.91Å; L397-Y410 HydrophobicContact CD1-CE1 4.17Å; L397-Y410 HydrophobicContact CD2-CD1 3.86Å; L397-Y410 HydrophobicContact CD2-CE1 4.16Å; L397-Y410 HydrophobicContact CG-CD1 4.42Å; L397-Y410 HydrophobicContact CG-CE1 4.23Å |
| 398 | R | 92.7 | Very high | 95 | Very high | 199 Ų | 199 | 50.3 Ų | 50.3 | 75% | 0.751 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -90 | -32.6 | -175.8 | -67.1 | 175.6 | 176.9 | 179.8 | -2 | 114 | K394 L395 K400 | K394-R398 VanDerWaalsContact O-CB 3.22Å; K394-R398 WeakPolarHBondContact O-CB 3.47Å; K394-R398 WeakPolarHBondContact O-CG 3.34Å; K394-R398 PolarHBondContact O-N 3.35Å; L395-R398 PolarHBondContact O-N 3.04Å; R398-K400 PolarHBondContact O-N 3.02Å |
| 399 | S | 93.6 | Very high | 95 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | trans | -60 | 134 | 179.5 | 160.1 | 0 | 0 | 0 | 0 | 110.6 | L395 L401 V402 R407 E453 | L395-S399 WeakPolarHBondContact O-CB 3.45Å; L395-S399 PolarHBondContact O-N 3Å; S399-L401 PolarHBondContact OG-N 2.8Å; S399-V402 WeakPolarHBondContact OG-CG2 3.4Å; S399-V402 PolarHBondContact OG-N 3.12Å; S399-R407 PolarHBondContact O-NH2 3.5Å; S399-E453 WeakPolarHBondContact CA-OE1 3.32Å; S399-E453 WeakPolarHBondContact CB-OE1 3.49Å; S399-E453 WeakPolarHBondContact CB-OE2 3.47Å; S399-E453 PolarHBondContact OG-OE1 2.92Å; S399-E453 PolarHBondContact OG-OE2 3.42Å | ||
| 400 | K | 93.5 | Very high | 94.8 | Very high | 195 Ų | 195 | 50 Ų | 50 | 85% | 0.848 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -87.8 | -12.5 | 170.2 | -65.6 | -176.4 | -178.9 | 179.2 | 0 | 112.9 | R398 | R398-K400 PolarHBondContact O-N 3.02Š|
| 401 | L | 95.4 | Very high | 94.7 | Very high | 112 Ų | 112 | 48.8 Ų | 48.8 | 59% | 0.586 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -86.2 | -15.6 | 177.4 | -43.5 | 176.8 | 0 | 0 | 0 | 111.8 | S399 D403 D450 E453 | S399-L401 PolarHBondContact OG-N 2.8Å; L401-D403 PolarHBondContact O-N 3.5Å; L401-D450 HydrophobicContact CB-CB 4.45Å; L401-D450 HydrophobicContact CD1-CB 4.01Å; L401-E453 WeakPolarHBondContact CB-OE2 3.37Å; L401-E453 WeakPolarHBondContact CD1-OE2 3.34Å; L401-E453 VanDerWaalsContact CG-OE2 3.29Å; L401-E453 WeakPolarHBondContact CG-OE2 3.04Å |
| 402 | V | 95.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -66.1 | 120.7 | 170.3 | 172.9 | 0 | 0 | 0 | 0 | 110 | L396 S399 Y406 I454 | L396-V402 HydrophobicContact CD2-CG1 4.21Å; L396-V402 HydrophobicContact CD2-CG2 4.19Å; S399-V402 WeakPolarHBondContact OG-CG2 3.4Å; S399-V402 PolarHBondContact OG-N 3.12Å; V402-Y406 HydrophobicContact CG1-CD2 4.41Å; V402-I454 HydrophobicContact CG2-CD1 3.28Å |
| 403 | D | 93.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | trans | -57.3 | 142.9 | 177.5 | -170.3 | -89 | 0 | 0 | 0 | 111.9 | L401 S405 Y406 P447 | L401-D403 PolarHBondContact O-N 3.5Å; D403-S405 PolarHBondContact O-N 2.96Å; D403-S405 VanDerWaalsContact O-N 3.13Å; D403-S405 WeakPolarHBondContact OD1-CB 3.42Å; D403-S405 PolarHBondContact OD1-N 3.46Å; D403-S405 PolarHBondContact OD1-OG 3.46Å; D403-Y406 HydrophobicContact CB-CD2 4.1Å; D403-Y406 HydrophobicContact CB-CE2 4.5Å; D403-Y406 PolarHBondContact O-N 2.95Å; D403-P447 HydrophobicContact CB-CB 3.82Å; D403-P447 HydrophobicContact CB-CG 3.83Å | ||
| 404 | L | 93.2 | Very high | 94.2 | Very high | 119 Ų | 119 | 48.5 Ų | 48.5 | 62% | 0.623 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.4 | -24.9 | -178.6 | -65.6 | 176.5 | 0 | 0 | 0 | 112.8 | Y406 R407 A408 | L404-Y406 VanDerWaalsContact C-N 3.31Å; L404-Y406 PolarHBondContact O-N 2.87Å; L404-R407 PolarHBondContact O-N 3.19Å; L404-A408 PolarHBondContact O-N 3.41Å |
| 405 | S | 94.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | V330 D403 R407 A408 F409 | V330-S405 PolarHBondContact N-OG 3.44Å; V330-S405 WeakPolarHBondContact O-CB 3.49Å; V330-S405 PolarHBondContact O-OG 3.42Å; D403-S405 PolarHBondContact O-N 2.96Å; D403-S405 VanDerWaalsContact O-N 3.13Å; D403-S405 WeakPolarHBondContact OD1-CB 3.42Å; D403-S405 PolarHBondContact OD1-N 3.46Å; D403-S405 PolarHBondContact OD1-OG 3.46Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact O-N 2.91Å; S405-A408 WeakPolarHBondContact O-CB 3.31Å; S405-A408 PolarHBondContact O-N 3.28Å; S405-F409 WeakPolarHBondContact O-CD2 3.42Å; S405-F409 VanDerWaalsContact O-CG 3.23Å; S405-F409 WeakPolarHBondContact O-CG 3.2Å; S405-F409 PolarHBondContact O-N 3.26Å |
| 406 | Y | 95.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -38.1 | 176 | -69.5 | -67.4 | 0 | 0 | 0 | 111.8 | A331 L333 V402 D403 L404 F409 Y410 I419 S445 P447 F449 | A331-Y406 HydrophobicContact CB-CD1 4.27Å; A331-Y406 HydrophobicContact CB-CE1 3.7Å; L333-Y406 HydrophobicContact CD2-CE1 4.32Å; V402-Y406 HydrophobicContact CG1-CD2 4.41Å; D403-Y406 HydrophobicContact CB-CD2 4.1Å; D403-Y406 HydrophobicContact CB-CE2 4.5Å; D403-Y406 PolarHBondContact O-N 2.95Å; L404-Y406 VanDerWaalsContact C-N 3.31Å; L404-Y406 PolarHBondContact O-N 2.87Å; Y406-F409 PolarHBondContact O-N 2.97Å; Y406-Y410 WeakPolarHBondContact O-CB 3.25Å; Y406-Y410 PolarHBondContact O-N 3.42Å; Y406-I419 HydrophobicContact CD1-CD1 4.2Å; Y406-I419 HydrophobicContact CD1-CG1 4.39Å; Y406-S445 VanDerWaalsContact OH-CB 3.3Å; Y406-S445 WeakPolarHBondContact OH-CB 3.31Å; Y406-S445 PolarHBondContact OH-OG 2.89Å; Y406-P447 HydrophobicContact CE2-CB 4.27Å; Y406-P447 WeakPolarHBondContact CE2-O 3.47Å; Y406-P447 PolarHBondContact OH-O 2.94Å; Y406-F449 HydrophobicContact CD1-CE1 4.11Å; Y406-F449 AromaticContact CD1-CZ 3.66Å; Y406-F449 HydrophobicContact CD1-CZ 3.66Å; Y406-F449 AromaticContact CD2-CE1 3.71Å; Y406-F449 HydrophobicContact CD2-CE1 3.71Å; Y406-F449 AromaticContact CD2-CZ 3.98Å; Y406-F449 HydrophobicContact CD2-CZ 3.98Å; Y406-F449 HydrophobicContact CE1-CE1 4.2Å; Y406-F449 HydrophobicContact CE1-CE2 4.09Å; Y406-F449 AromaticContact CE1-CZ 3.46Å; Y406-F449 HydrophobicContact CE1-CZ 3.46Å; Y406-F449 VanDerWaalsContact CE1-CZ 3.46Å; Y406-F449 HydrophobicContact CE2-CD1 4.45Å; Y406-F449 AromaticContact CE2-CE1 3.81Å; Y406-F449 HydrophobicContact CE2-CE1 3.81Å; Y406-F449 HydrophobicContact CE2-CE2 4.41Å; Y406-F449 AromaticContact CE2-CZ 3.79Å; Y406-F449 HydrophobicContact CE2-CZ 3.79Å; Y406-F449 AromaticContact CG-CE1 3.86Å; Y406-F449 HydrophobicContact CG-CE1 3.86Å; Y406-F449 AromaticContact CG-CZ 3.92Å; Y406-F449 HydrophobicContact CG-CZ 3.92Å; Y406-F449 AromaticContact CZ-CE2 3.93Å; Y406-F449 AromaticContact CZ-CZ 3.53Å |
| 407 | R | 93.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 44 Ų | 44 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.8 | -64.3 | -169.8 | 179.4 | 173.1 | -3.4 | 112.1 | L142 S399 L404 S405 Y410 S411 | L142-R407 HydrophobicContact CD1-CB 4.11Å; S399-R407 PolarHBondContact O-NH2 3.5Å; L404-R407 PolarHBondContact O-N 3.19Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact O-N 2.91Å; R407-Y410 PolarHBondContact O-N 2.96Å; R407-S411 PolarHBondContact O-N 3.39Å; R407-S411 PolarHBondContact O-OG 3.29Å |
| 408 | A | 94.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -51 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F144 P329 L404 S405 Y410 S411 | F144-A408 WeakPolarHBondContact CB-O 3.25Å; F144-A408 HydrophobicContact CD2-CB 3.64Å; F144-A408 HydrophobicContact CE2-CB 3.63Å; F144-A408 HydrophobicContact CG-CB 4.11Å; F144-A408 HydrophobicContact CZ-CB 4.08Å; P329-A408 HydrophobicContact CB-CB 3.93Å; P329-A408 HydrophobicContact CG-CB 3.65Å; L404-A408 PolarHBondContact O-N 3.41Å; S405-A408 WeakPolarHBondContact O-CB 3.31Å; S405-A408 PolarHBondContact O-N 3.28Å; A408-Y410 VanDerWaalsContact C-N 3.33Å; A408-Y410 PolarHBondContact O-N 3.13Å; A408-S411 VanDerWaalsContact O-CB 3.32Å; A408-S411 WeakPolarHBondContact O-CB 3.32Å; A408-S411 PolarHBondContact O-N 2.92Å; A408-S411 PolarHBondContact O-OG 2.8Å |
| 409 | F | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -31.4 | 179.7 | -58.2 | -34.3 | 0 | 0 | 0 | 113.7 | I240 P306 I307 M308 P329 A331 S405 Y406 S411 D412 L415 I419 | I240-F409 HydrophobicContact CD1-CD1 3.6Å; I240-F409 HydrophobicContact CD1-CE1 4.18Å; I240-F409 HydrophobicContact CG1-CD1 4.09Å; I240-F409 HydrophobicContact CG1-CE1 4.15Å; I240-F409 HydrophobicContact CG2-CD1 4.07Å; I240-F409 HydrophobicContact CG2-CE1 3.86Å; P306-F409 HydrophobicContact CB-CE1 4.2Å; I307-F409 WeakPolarHBondContact O-CZ 3.15Å; M308-F409 HydrophobicContact CB-CE2 4.46Å; M308-F409 HydrophobicContact CE-CB 3.74Å; M308-F409 HydrophobicContact CE-CD2 3.6Å; M308-F409 HydrophobicContact CE-CE2 4.47Å; M308-F409 HydrophobicContact CE-CG 3.85Å; P329-F409 VanDerWaalsContact C-CZ 3.5Å; P329-F409 HydrophobicContact CB-CD1 4.42Å; P329-F409 HydrophobicContact CB-CE1 3.62Å; P329-F409 HydrophobicContact CB-CE2 4.28Å; P329-F409 HydrophobicContact CB-CZ 3.54Å; P329-F409 WeakPolarHBondContact O-CZ 3.21Å; A331-F409 HydrophobicContact CB-CD2 3.79Å; A331-F409 HydrophobicContact CB-CE2 3.43Å; A331-F409 VanDerWaalsContact CB-CE2 3.43Å; S405-F409 WeakPolarHBondContact O-CD2 3.42Å; S405-F409 VanDerWaalsContact O-CG 3.23Å; S405-F409 WeakPolarHBondContact O-CG 3.2Å; S405-F409 PolarHBondContact O-N 3.26Å; Y406-F409 PolarHBondContact O-N 2.97Å; F409-S411 PolarHBondContact O-N 2.68Å; F409-D412 PolarHBondContact O-N 2.84Å; F409-D412 VanDerWaalsContact O-N 3.15Å; F409-L415 HydrophobicContact CB-CB 4.26Å; F409-L415 HydrophobicContact CB-CD1 4.05Å; F409-L415 HydrophobicContact CD1-CD1 4.13Å; F409-L415 HydrophobicContact CG-CD1 4.33Å; F409-L415 WeakPolarHBondContact O-CB 3.26Å; F409-I419 HydrophobicContact CB-CD1 4.01Å |
| 410 | Y | 95 | Very high | 94.7 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -20.1 | 178.4 | -157.2 | -91.3 | 0 | 0 | 0 | 113.4 | L136 S393 L396 L397 Y406 R407 A408 D412 R416 I419 L420 | L136-Y410 HydrophobicContact CD1-CD1 3.98Å; L136-Y410 HydrophobicContact CD1-CE1 4.1Å; S393-Y410 WeakPolarHBondContact CA-OH 3.5Å; S393-Y410 WeakPolarHBondContact CB-OH 3.48Å; S393-Y410 PolarHBondContact OG-OH 3.41Å; L396-Y410 HydrophobicContact CB-CE2 4.49Å; L396-Y410 HydrophobicContact CD1-CD2 3.88Å; L396-Y410 HydrophobicContact CD1-CE2 3.48Å; L396-Y410 VanDerWaalsContact CD1-CE2 3.48Å; L397-Y410 HydrophobicContact CD1-CE1 4.17Å; L397-Y410 HydrophobicContact CD2-CD1 3.86Å; L397-Y410 HydrophobicContact CD2-CE1 4.16Å; L397-Y410 HydrophobicContact CG-CD1 4.42Å; L397-Y410 HydrophobicContact CG-CE1 4.23Å; Y406-Y410 WeakPolarHBondContact O-CB 3.25Å; Y406-Y410 PolarHBondContact O-N 3.42Å; R407-Y410 PolarHBondContact O-N 2.96Å; A408-Y410 VanDerWaalsContact C-N 3.33Å; A408-Y410 PolarHBondContact O-N 3.13Å; Y410-D412 VanDerWaalsContact C-N 3.25Å; Y410-D412 PolarHBondContact O-N 3.11Å; Y410-R416 HydrophobicContact CD1-CG 4.03Å; Y410-R416 HydrophobicContact CD2-CB 4.43Å; Y410-R416 HydrophobicContact CD2-CG 3.83Å; Y410-R416 HydrophobicContact CE1-CG 3.67Å; Y410-R416 HydrophobicContact CE2-CB 4.47Å; Y410-R416 HydrophobicContact CE2-CG 3.46Å; Y410-R416 VanDerWaalsContact CE2-CG 3.46Å; Y410-R416 HydrophobicContact CG-CG 4.08Å; Y410-R416 PolarHBondContact O-NE 3.36Å; Y410-R416 PolarHBondContact O-NH2 3.42Å; Y410-R416 VanDerWaalsContact O-NH2 3.12Å; Y410-I419 HydrophobicContact CD2-CD1 4.36Å; Y410-L420 HydrophobicContact CE2-CD1 4.49Å; Y410-L420 HydrophobicContact CE2-CD2 4.23Å; Y410-L420 HydrophobicContact CE2-CG 4.19Å |
| 411 | S | 92.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | 173.9 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | L142 R407 A408 F409 R416 | L142-S411 PolarHBondContact N-OG 2.85Å; R407-S411 PolarHBondContact O-N 3.39Å; R407-S411 PolarHBondContact O-OG 3.29Å; A408-S411 VanDerWaalsContact O-CB 3.32Å; A408-S411 WeakPolarHBondContact O-CB 3.32Å; A408-S411 PolarHBondContact O-N 2.92Å; A408-S411 PolarHBondContact O-OG 2.8Å; F409-S411 PolarHBondContact O-N 2.68Å; S411-R416 PolarHBondContact O-NH2 3.39Å; S411-R416 VanDerWaalsContact O-NH2 3.12Å |
| 412 | D | 92.8 | Very high | 95 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -79.5 | 135.6 | 176 | -178.6 | -93.9 | 0 | 0 | 0 | 112.3 | L146 F409 Y410 F414 L415 R416 | L146-D412 WeakPolarHBondContact CB-OD1 3.49Å; L146-D412 WeakPolarHBondContact CB-OD2 3.34Å; L146-D412 PolarHBondContact N-OD2 3.03Å; F409-D412 PolarHBondContact O-N 2.84Å; F409-D412 VanDerWaalsContact O-N 3.15Å; Y410-D412 VanDerWaalsContact C-N 3.25Å; Y410-D412 PolarHBondContact O-N 3.11Å; D412-F414 PolarHBondContact O-N 3.37Å; D412-F414 WeakPolarHBondContact OD1-CA 3.29Å; D412-F414 WeakPolarHBondContact OD1-CB 3.43Å; D412-F414 PolarHBondContact OD1-N 2.93Å; D412-L415 HydrophobicContact CB-CB 4.22Å; D412-L415 HydrophobicContact CB-CD1 4.17Å; D412-L415 HydrophobicContact CB-CG 4.21Å; D412-L415 PolarHBondContact OD1-N 3.35Å; D412-R416 WeakPolarHBondContact O-CB 3.27Å; D412-R416 PolarHBondContact O-N 3.27Å |
| 413 | M | 92 | Very high | 95.2 | Very high | 39 Ų | 39 | 18.8 Ų | 18.8 | 19% | 0.192 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67 | -38.1 | -176.7 | -62.2 | -172.8 | 75.7 | 0 | 0 | 113.8 | L128 L133 R416 V417 | L128-M413 HydrophobicContact CD2-CB 3.68Å; L128-M413 HydrophobicContact CD2-CE 4.49Å; L128-M413 HydrophobicContact CD2-SD 4.49Å; L133-M413 HydrophobicContact CD1-CB 4.1Å; L133-M413 HydrophobicContact CD1-CE 3.88Å; M413-R416 WeakPolarHBondContact O-CB 3.25Å; M413-V417 WeakPolarHBondContact O-CG2 3.46Å; M413-V417 PolarHBondContact O-N 2.89Å; M413-V417 VanDerWaalsContact O-N 3.15Å |
| 414 | F | 93.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.018 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.1 | -46.5 | -179.2 | -70 | -74.6 | 0 | 0 | 0 | 110.4 | L128 L146 V174 L175 R177 P211 D412 R416 V417 M418 | L128-F414 HydrophobicContact CB-CD1 4.24Å; L128-F414 HydrophobicContact CB-CE1 3.76Å; L128-F414 HydrophobicContact CB-CZ 4.47Å; L128-F414 HydrophobicContact CD2-CD1 3.82Å; L128-F414 HydrophobicContact CD2-CD2 4.35Å; L128-F414 HydrophobicContact CD2-CE1 3.69Å; L128-F414 HydrophobicContact CD2-CE2 4.22Å; L128-F414 HydrophobicContact CD2-CG 4.17Å; L128-F414 HydrophobicContact CD2-CZ 3.93Å; L128-F414 HydrophobicContact CG-CE1 4.38Å; L146-F414 HydrophobicContact CD2-CB 3.9Å; L146-F414 HydrophobicContact CD2-CG 4.47Å; V174-F414 WeakPolarHBondContact O-CD1 3.24Å; L175-F414 HydrophobicContact CD2-CB 4.22Å; L175-F414 HydrophobicContact CD2-CD1 4.41Å; L175-F414 HydrophobicContact CD2-CG 4.49Å; R177-F414 HydrophobicContact CG-CZ 3.88Å; P211-F414 HydrophobicContact CG-CD2 4.34Å; P211-F414 HydrophobicContact CG-CE2 4.26Å; D412-F414 PolarHBondContact O-N 3.37Å; D412-F414 WeakPolarHBondContact OD1-CA 3.29Å; D412-F414 WeakPolarHBondContact OD1-CB 3.43Å; D412-F414 PolarHBondContact OD1-N 2.93Å; F414-R416 VanDerWaalsContact C-N 3.31Å; F414-R416 PolarHBondContact O-N 3.37Å; F414-V417 PolarHBondContact O-N 2.89Å; F414-M418 WeakPolarHBondContact O-CG 3.36Å; F414-M418 PolarHBondContact O-N 3.1Å |
| 415 | L | 95.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | 178.3 | -58.8 | -179.3 | 0 | 0 | 0 | 111.8 | L146 I240 L242 M308 F409 D412 V417 M418 I419 | L146-L415 HydrophobicContact CB-CD1 4.37Å; L146-L415 HydrophobicContact CB-CG 4.29Å; L146-L415 HydrophobicContact CD1-CD1 4.46Å; L146-L415 HydrophobicContact CD1-CD2 4.25Å; L146-L415 HydrophobicContact CD2-CD2 4.04Å; L146-L415 HydrophobicContact CD2-CG 4.31Å; I240-L415 HydrophobicContact CB-CD1 4.2Å; I240-L415 HydrophobicContact CD1-CD1 3.54Å; I240-L415 HydrophobicContact CG1-CD1 4.46Å; I240-L415 HydrophobicContact CG2-CD1 3.77Å; L242-L415 HydrophobicContact CD1-CD2 4.27Å; L242-L415 HydrophobicContact CD2-CD2 4.46Å; M308-L415 HydrophobicContact CB-CD2 4.49Å; M308-L415 HydrophobicContact CE-CB 4.33Å; M308-L415 HydrophobicContact CE-CD2 4.43Å; M308-L415 HydrophobicContact SD-CD2 3.82Å; F409-L415 HydrophobicContact CB-CB 4.26Å; F409-L415 HydrophobicContact CB-CD1 4.05Å; F409-L415 HydrophobicContact CD1-CD1 4.13Å; F409-L415 HydrophobicContact CG-CD1 4.33Å; F409-L415 WeakPolarHBondContact O-CB 3.26Å; D412-L415 HydrophobicContact CB-CB 4.22Å; D412-L415 HydrophobicContact CB-CD1 4.17Å; D412-L415 HydrophobicContact CB-CG 4.21Å; D412-L415 PolarHBondContact OD1-N 3.35Å; L415-V417 PolarHBondContact O-N 3.29Å; L415-M418 PolarHBondContact O-N 3.4Å; L415-I419 VanDerWaalsContact O-CG1 3.28Å; L415-I419 WeakPolarHBondContact O-CG1 3.23Å; L415-I419 PolarHBondContact O-N 3.49Å |
| 416 | R | 94.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 9.8 Ų | 9.8 | 5% | 0.053 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -54.5 | -50.3 | 169.5 | -171.5 | -178.3 | -52.8 | 155.7 | 15 | 111.8 | L133 P134 L136 Y410 S411 D412 M413 F414 M418 I419 L420 | L133-R416 HydrophobicContact CD2-CG 4.44Å; P134-R416 PolarHBondContact O-NH1 3.29Å; L136-R416 VanDerWaalsContact CD2-NH2 3.3Å; Y410-R416 HydrophobicContact CD1-CG 4.03Å; Y410-R416 HydrophobicContact CD2-CB 4.43Å; Y410-R416 HydrophobicContact CD2-CG 3.83Å; Y410-R416 HydrophobicContact CE1-CG 3.67Å; Y410-R416 HydrophobicContact CE2-CB 4.47Å; Y410-R416 HydrophobicContact CE2-CG 3.46Å; Y410-R416 VanDerWaalsContact CE2-CG 3.46Å; Y410-R416 HydrophobicContact CG-CG 4.08Å; Y410-R416 PolarHBondContact O-NE 3.36Å; Y410-R416 PolarHBondContact O-NH2 3.42Å; Y410-R416 VanDerWaalsContact O-NH2 3.12Å; S411-R416 PolarHBondContact O-NH2 3.39Å; S411-R416 VanDerWaalsContact O-NH2 3.12Å; D412-R416 WeakPolarHBondContact O-CB 3.27Å; D412-R416 PolarHBondContact O-N 3.27Å; M413-R416 WeakPolarHBondContact O-CB 3.25Å; F414-R416 VanDerWaalsContact C-N 3.31Å; F414-R416 PolarHBondContact O-N 3.37Å; R416-M418 VanDerWaalsContact C-N 3.34Å; R416-M418 PolarHBondContact O-N 2.83Å; R416-I419 PolarHBondContact O-N 3.23Å; R416-L420 HydrophobicContact CG-CD1 4.04Å; R416-L420 WeakPolarHBondContact O-CB 2.98Å; R416-L420 VanDerWaalsContact O-CG 3.23Å; R416-L420 WeakPolarHBondContact O-CG 3.39Å; R416-L420 PolarHBondContact O-N 3.04Å |
| 417 | V | 94.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 9.6 Ų | 9.6 | 5% | 0.048 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 175.2 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | L128 L133 M413 F414 L415 I419 L420 R421 | L128-V417 HydrophobicContact CD1-CG2 3.83Å; L133-V417 HydrophobicContact CD1-CG2 3.65Å; L133-V417 HydrophobicContact CD2-CB 4.43Å; L133-V417 HydrophobicContact CD2-CG2 3.41Å; L133-V417 VanDerWaalsContact CD2-CG2 3.41Å; L133-V417 HydrophobicContact CG-CG2 3.74Å; M413-V417 WeakPolarHBondContact O-CG2 3.46Å; M413-V417 PolarHBondContact O-N 2.89Å; M413-V417 VanDerWaalsContact O-N 3.15Å; F414-V417 PolarHBondContact O-N 2.89Å; L415-V417 PolarHBondContact O-N 3.29Å; V417-I419 VanDerWaalsContact C-N 3.34Å; V417-I419 PolarHBondContact O-N 3.06Å; V417-L420 PolarHBondContact O-N 3.31Å; V417-R421 HydrophobicContact CG1-CG 3.92Å; V417-R421 WeakPolarHBondContact O-CB 3.44Å; V417-R421 VanDerWaalsContact O-CG 3.25Å; V417-R421 WeakPolarHBondContact O-CG 3.47Å; V417-R421 PolarHBondContact O-N 3.45Å |
| 418 | M | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | -178.4 | -68.8 | -59.6 | 110.7 | 0 | 0 | 112 | M171 V174 L357 F414 L415 R416 R421 F422 | M171-M418 HydrophobicContact CE-SD 4.02Å; V174-M418 HydrophobicContact CB-CE 3.77Å; V174-M418 HydrophobicContact CG2-CE 3.45Å; V174-M418 VanDerWaalsContact CG2-CE 3.45Å; V174-M418 HydrophobicContact CG2-SD 4.23Å; L357-M418 HydrophobicContact CB-SD 4.39Å; F414-M418 WeakPolarHBondContact O-CG 3.36Å; F414-M418 PolarHBondContact O-N 3.1Å; L415-M418 PolarHBondContact O-N 3.4Å; R416-M418 VanDerWaalsContact C-N 3.34Å; R416-M418 PolarHBondContact O-N 2.83Å; M418-R421 PolarHBondContact O-N 3.35Å; M418-F422 WeakPolarHBondContact O-CB 3.44Å; M418-F422 PolarHBondContact O-N 3.31Å |
| 419 | I | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 177 | -65.8 | 163.3 | 0 | 0 | 0 | 110.6 | M308 L396 Y406 F409 Y410 L415 R416 V417 R421 F422 L423 F449 | M308-I419 HydrophobicContact CE-CD1 3.89Å; M308-I419 HydrophobicContact CE-CG1 3.77Å; L396-I419 HydrophobicContact CD1-CG2 3.75Å; L396-I419 HydrophobicContact CD2-CG2 4.4Å; Y406-I419 HydrophobicContact CD1-CD1 4.2Å; Y406-I419 HydrophobicContact CD1-CG1 4.39Å; F409-I419 HydrophobicContact CB-CD1 4.01Å; Y410-I419 HydrophobicContact CD2-CD1 4.36Å; L415-I419 VanDerWaalsContact O-CG1 3.28Å; L415-I419 WeakPolarHBondContact O-CG1 3.23Å; L415-I419 PolarHBondContact O-N 3.49Å; R416-I419 PolarHBondContact O-N 3.23Å; V417-I419 VanDerWaalsContact C-N 3.34Å; V417-I419 PolarHBondContact O-N 3.06Å; I419-R421 VanDerWaalsContact C-N 3.35Å; I419-R421 PolarHBondContact O-N 3.47Å; I419-F422 WeakPolarHBondContact O-CB 3.45Å; I419-F422 PolarHBondContact O-N 3.12Å; I419-L423 HydrophobicContact CG2-CD1 4.47Å; I419-L423 WeakPolarHBondContact O-CG 3.21Å; I419-L423 PolarHBondContact O-N 3.48Å; I419-F449 HydrophobicContact CG2-CZ 4.37Å |
| 420 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | -179.6 | -69.3 | 170.1 | 0 | 0 | 0 | 112.3 | L133 Y389 A392 L396 Y410 R416 V417 L423 F424 | L133-L420 HydrophobicContact CD2-CD1 3.93Å; Y389-L420 HydrophobicContact CD1-CB 3.69Å; Y389-L420 HydrophobicContact CD1-CD1 4.49Å; Y389-L420 HydrophobicContact CE1-CB 3.99Å; Y389-L420 HydrophobicContact CG-CB 4.2Å; Y389-L420 HydrophobicContact CG-CD1 4.19Å; A392-L420 HydrophobicContact CB-CD2 3.78Å; L396-L420 HydrophobicContact CD1-CD2 4.13Å; Y410-L420 HydrophobicContact CE2-CD1 4.49Å; Y410-L420 HydrophobicContact CE2-CD2 4.23Å; Y410-L420 HydrophobicContact CE2-CG 4.19Å; R416-L420 HydrophobicContact CG-CD1 4.04Å; R416-L420 WeakPolarHBondContact O-CB 2.98Å; R416-L420 VanDerWaalsContact O-CG 3.23Å; R416-L420 WeakPolarHBondContact O-CG 3.39Å; R416-L420 PolarHBondContact O-N 3.04Å; V417-L420 PolarHBondContact O-N 3.31Å; L420-L423 PolarHBondContact O-N 2.94Å; L420-F424 PolarHBondContact O-N 3.31Å |
| 421 | R | 97.7 | Very high | 96.3 | Very high | 28 Ų | 28 | 9.8 Ų | 9.8 | 11% | 0.106 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.7 | -39.1 | 174.6 | -70.9 | -173.7 | 178 | 162.6 | 0.7 | 112 | L357 H358 P360 Y389 V417 M418 I419 F424 C425 | L357-R421 HydrophobicContact CD2-CB 4.39Å; L357-R421 WeakPolarHBondContact O-CD 3.32Å; L357-R421 PolarHBondContact O-NH1 3.26Å; H358-R421 PolarHBondContact O-NH1 3.35Å; H358-R421 PolarHBondContact O-NH2 3Å; P360-R421 HydrophobicContact CG-CB 3.97Å; P360-R421 HydrophobicContact CG-CG 3.58Å; Y389-R421 WeakPolarHBondContact OH-CG 3.34Å; V417-R421 HydrophobicContact CG1-CG 3.92Å; V417-R421 WeakPolarHBondContact O-CB 3.44Å; V417-R421 VanDerWaalsContact O-CG 3.25Å; V417-R421 WeakPolarHBondContact O-CG 3.47Å; V417-R421 PolarHBondContact O-N 3.45Å; M418-R421 PolarHBondContact O-N 3.35Å; I419-R421 VanDerWaalsContact C-N 3.35Å; I419-R421 PolarHBondContact O-N 3.47Å; R421-F424 PolarHBondContact O-N 3.06Å; R421-C425 WeakPolarHBondContact O-CB 3.38Å; R421-C425 PolarHBondContact O-N 3.05Å |
| 422 | F | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 172.7 | 173.3 | -91.5 | 0 | 0 | 0 | 111.5 | L333 F353 L357 M418 I419 F424 C425 Q426 P443 H444 F449 | L333-F422 HydrophobicContact CB-CD2 3.86Å; L333-F422 HydrophobicContact CB-CE2 4.03Å; L333-F422 HydrophobicContact CD1-CB 4Å; L333-F422 HydrophobicContact CD1-CD2 4.17Å; L333-F422 HydrophobicContact CD1-CG 4.09Å; L333-F422 HydrophobicContact CD2-CD1 3.96Å; L333-F422 HydrophobicContact CD2-CD2 3.96Å; L333-F422 HydrophobicContact CD2-CE1 4.15Å; L333-F422 HydrophobicContact CD2-CE2 4.12Å; L333-F422 HydrophobicContact CD2-CG 3.88Å; L333-F422 HydrophobicContact CD2-CZ 4.23Å; L333-F422 HydrophobicContact CG-CD2 4.22Å; L333-F422 HydrophobicContact CG-CG 4.39Å; F353-F422 AromaticContact CE2-CD2 3.78Å; F353-F422 HydrophobicContact CE2-CD2 3.78Å; F353-F422 HydrophobicContact CE2-CE2 4.01Å; F353-F422 AromaticContact CZ-CD2 3.95Å; F353-F422 HydrophobicContact CZ-CD2 3.95Å; F353-F422 HydrophobicContact CZ-CE2 4.22Å; L357-F422 HydrophobicContact CD2-CB 4.11Å; M418-F422 WeakPolarHBondContact O-CB 3.44Å; M418-F422 PolarHBondContact O-N 3.31Å; I419-F422 WeakPolarHBondContact O-CB 3.45Å; I419-F422 PolarHBondContact O-N 3.12Å; F422-F424 VanDerWaalsContact C-N 3.31Å; F422-F424 PolarHBondContact O-N 2.97Å; F422-C425 VanDerWaalsContact O-CB 3.26Å; F422-C425 WeakPolarHBondContact O-CB 3.25Å; F422-C425 PolarHBondContact O-N 3.25Å; F422-C425 VanDerWaalsContact O-N 3.16Å; F422-Q426 PolarHBondContact O-N 2.79Å; F422-P443 HydrophobicContact CE2-CB 3.9Å; F422-P443 HydrophobicContact CZ-CB 4.39Å; F422-H444 WeakPolarHBondContact CZ-O 2.98Å; F422-F449 HydrophobicContact CD1-CE2 4.05Å; F422-F449 HydrophobicContact CE1-CD2 4.16Å; F422-F449 AromaticContact CE1-CE2 3.83Å; F422-F449 HydrophobicContact CE1-CE2 3.83Å |
| 423 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.7 | -71 | -179.9 | 0 | 0 | 0 | 111.9 | F388 A392 L396 I419 L420 C425 Q426 C427 F449 I454 | F388-L423 HydrophobicContact CE1-CB 4.34Å; F388-L423 HydrophobicContact CZ-CB 4.49Å; A392-L423 HydrophobicContact CB-CD1 4.17Å; L396-L423 HydrophobicContact CD1-CD1 3.73Å; L396-L423 HydrophobicContact CD2-CD1 4.14Å; L396-L423 HydrophobicContact CG-CD1 4.01Å; I419-L423 HydrophobicContact CG2-CD1 4.47Å; I419-L423 WeakPolarHBondContact O-CG 3.21Å; I419-L423 PolarHBondContact O-N 3.48Å; L420-L423 PolarHBondContact O-N 2.94Å; L423-C425 VanDerWaalsContact C-N 3.34Å; L423-C425 PolarHBondContact O-N 3.06Å; L423-Q426 PolarHBondContact O-N 3.32Å; L423-C427 WeakPolarHBondContact O-CB 3.41Å; L423-C427 PolarHBondContact O-N 2.85Å; L423-C427 PolarHBondContact O-SG 2.63Å; L423-F449 HydrophobicContact CD2-CD2 3.76Å; L423-F449 HydrophobicContact CD2-CE2 3.77Å; L423-F449 HydrophobicContact CD2-CG 4.21Å; L423-F449 HydrophobicContact CD2-CZ 4.22Å; L423-I454 HydrophobicContact CD1-CG2 3.86Å; L423-I454 HydrophobicContact CD2-CG2 3.71Å; L423-I454 HydrophobicContact CG-CG2 4.4Å |
| 424 | F | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 1% | 0.013 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 174.2 | -171.4 | -79.3 | 0 | 0 | 0 | 111.5 | F356 P360 Y364 V385 F388 L420 R421 F422 T428 I464 L467 | F356-F424 HydrophobicContact CD1-CD1 4.1Å; F356-F424 AromaticContact CE1-CD1 3.95Å; F356-F424 HydrophobicContact CE1-CD1 3.95Å; F356-F424 HydrophobicContact CE1-CE1 4.05Å; P360-F424 HydrophobicContact CB-CB 4.39Å; P360-F424 HydrophobicContact CB-CD1 3.39Å; P360-F424 HydrophobicContact CB-CE1 3.7Å; P360-F424 HydrophobicContact CB-CG 3.9Å; P360-F424 HydrophobicContact CB-CZ 4.47Å; P360-F424 HydrophobicContact CG-CD1 4.42Å; Y364-F424 AromaticContact CD2-CE1 3.93Å; Y364-F424 HydrophobicContact CD2-CE1 3.93Å; Y364-F424 AromaticContact CD2-CZ 3.98Å; Y364-F424 HydrophobicContact CD2-CZ 3.98Å; V385-F424 HydrophobicContact CB-CE2 4.42Å; V385-F424 HydrophobicContact CG1-CD2 4.32Å; V385-F424 HydrophobicContact CG1-CE2 4.24Å; V385-F424 HydrophobicContact CG2-CE2 3.87Å; V385-F424 HydrophobicContact CG2-CZ 4.03Å; F388-F424 HydrophobicContact CB-CD2 4.22Å; F388-F424 HydrophobicContact CB-CE2 4.46Å; F388-F424 HydrophobicContact CD1-CB 4.14Å; F388-F424 AromaticContact CD1-CD2 3.66Å; F388-F424 HydrophobicContact CD1-CD2 3.66Å; F388-F424 HydrophobicContact CD1-CG 4.39Å; F388-F424 HydrophobicContact CD2-CD2 4.02Å; F388-F424 HydrophobicContact CD2-CE2 4.46Å; F388-F424 HydrophobicContact CE1-CB 3.72Å; F388-F424 AromaticContact CE1-CD2 3.99Å; F388-F424 HydrophobicContact CE1-CD2 3.99Å; F388-F424 HydrophobicContact CE1-CG 4.33Å; F388-F424 HydrophobicContact CE2-CD2 4.29Å; F388-F424 AromaticContact CG-CD2 3.7Å; F388-F424 HydrophobicContact CG-CD2 3.7Å; F388-F424 HydrophobicContact CG-CE2 4.29Å; F388-F424 HydrophobicContact CZ-CB 4.13Å; F388-F424 HydrophobicContact CZ-CD2 4.3Å; L420-F424 PolarHBondContact O-N 3.31Å; R421-F424 PolarHBondContact O-N 3.06Å; F422-F424 VanDerWaalsContact C-N 3.31Å; F422-F424 PolarHBondContact O-N 2.97Å; F424-T428 WeakPolarHBondContact CD1-OG1 3.47Å; F424-T428 VanDerWaalsContact CE1-OG1 3.27Å; F424-T428 WeakPolarHBondContact CE1-OG1 3.36Å; F424-T428 WeakPolarHBondContact O-CB 3.45Å; F424-T428 PolarHBondContact O-N 3.49Å; F424-T428 PolarHBondContact O-OG1 2.94Å; F424-I464 HydrophobicContact CD2-CD1 3.91Å; F424-I464 HydrophobicContact CE1-CD1 4.28Å; F424-I464 HydrophobicContact CE2-CD1 3.51Å; F424-I464 HydrophobicContact CG-CD1 4.44Å; F424-I464 HydrophobicContact CZ-CD1 3.73Å; F424-L467 HydrophobicContact CE2-CD2 4.41Å; F424-L467 HydrophobicContact CZ-CD2 3.76Å |
| 425 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.2 | -52.1 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | F356 R421 F422 L423 C427 T428 L429 | F356-C425 HydrophobicContact CB-CB 3.7Å; F356-C425 HydrophobicContact CD1-CB 3.83Å; F356-C425 HydrophobicContact CD2-CB 4.27Å; F356-C425 VanDerWaalsContact CD2-SG 3.51Å; F356-C425 HydrophobicContact CG-CB 3.68Å; F356-C425 VanDerWaalsContact CG-SG 3.53Å; R421-C425 WeakPolarHBondContact O-CB 3.38Å; R421-C425 PolarHBondContact O-N 3.05Å; F422-C425 VanDerWaalsContact O-CB 3.26Å; F422-C425 WeakPolarHBondContact O-CB 3.25Å; F422-C425 PolarHBondContact O-N 3.25Å; F422-C425 VanDerWaalsContact O-N 3.16Å; L423-C425 VanDerWaalsContact C-N 3.34Å; L423-C425 PolarHBondContact O-N 3.06Å; C425-C427 PolarHBondContact O-N 2.94Å; C425-T428 PolarHBondContact O-N 2.91Å; C425-L429 WeakPolarHBondContact O-CB 3.47Å; C425-L429 WeakPolarHBondContact O-CG 3.41Å; C425-L429 PolarHBondContact O-N 3.39Å |
| 426 | Q | 97.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 2% | 0.023 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | -177.5 | -166.4 | 177.9 | 32.9 | 0 | 0 | 112.1 | F422 L423 R430 P443 P455 | F422-Q426 PolarHBondContact O-N 2.79Å; L423-Q426 PolarHBondContact O-N 3.32Å; Q426-R430 VanDerWaalsContact O-CB 3.31Å; Q426-R430 WeakPolarHBondContact O-CB 3.31Å; Q426-R430 VanDerWaalsContact O-CG 3.24Å; Q426-R430 WeakPolarHBondContact O-CG 3.2Å; Q426-R430 PolarHBondContact O-N 3.41Å; Q426-P443 HydrophobicContact CB-CG 3.94Å; Q426-P443 HydrophobicContact CG-CG 4.19Å; Q426-P443 PolarHBondContact NE2-O 2.84Å; Q426-P455 HydrophobicContact CG-CB 4.3Å |
| 427 | C | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | F388 L423 C425 R430 M431 P455 I464 | F388-C427 HydrophobicContact CE2-CB 4.04Å; F388-C427 HydrophobicContact CZ-CB 4.13Å; L423-C427 WeakPolarHBondContact O-CB 3.41Å; L423-C427 PolarHBondContact O-N 2.85Å; L423-C427 PolarHBondContact O-SG 2.63Å; C425-C427 PolarHBondContact O-N 2.94Å; C427-R430 PolarHBondContact O-N 3.34Å; C427-M431 WeakPolarHBondContact O-CG 3.31Å; C427-M431 PolarHBondContact O-N 3.05Å; C427-M431 VanDerWaalsContact O-N 3.16Å; C427-P455 PolarHBondContact SG-O 3.39Å; C427-I464 HydrophobicContact CB-CG1 4.23Å |
| 428 | T | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -51.1 | -178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | F356 Y364 I367 F424 C425 R430 M431 H432 I464 F477 | F356-T428 HydrophobicContact CE1-CG2 4.18Å; F356-T428 HydrophobicContact CZ-CG2 3.94Å; Y364-T428 HydrophobicContact CD2-CG2 3.51Å; Y364-T428 HydrophobicContact CE2-CG2 3.76Å; I367-T428 HydrophobicContact CD1-CG2 3.62Å; F424-T428 WeakPolarHBondContact CD1-OG1 3.47Å; F424-T428 VanDerWaalsContact CE1-OG1 3.27Å; F424-T428 WeakPolarHBondContact CE1-OG1 3.36Å; F424-T428 WeakPolarHBondContact O-CB 3.45Å; F424-T428 PolarHBondContact O-N 3.49Å; F424-T428 PolarHBondContact O-OG1 2.94Å; C425-T428 PolarHBondContact O-N 2.91Å; T428-R430 VanDerWaalsContact C-N 3.32Å; T428-R430 PolarHBondContact O-N 3.42Å; T428-M431 PolarHBondContact O-N 3.39Å; T428-M431 VanDerWaalsContact O-N 3.15Å; T428-H432 WeakPolarHBondContact O-CB 3.09Å; T428-H432 PolarHBondContact O-N 3.06Å; T428-I464 WeakPolarHBondContact OG1-CD1 3.38Å; T428-F477 HydrophobicContact CG2-CE1 4.21Å; T428-F477 HydrophobicContact CG2-CZ 4.33Å |
| 429 | L | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69 | -31.7 | -177.2 | -63.6 | -174.4 | 0 | 0 | 0 | 112 | P336 F356 I367 C425 M431 H432 F435 L442 | P336-L429 HydrophobicContact CG-CD1 4.35Å; F356-L429 HydrophobicContact CE2-CD1 4.45Å; F356-L429 HydrophobicContact CE2-CD2 3.98Å; F356-L429 HydrophobicContact CE2-CG 4.26Å; F356-L429 HydrophobicContact CZ-CD2 4.24Å; I367-L429 HydrophobicContact CD1-CD2 4.03Å; C425-L429 WeakPolarHBondContact O-CB 3.47Å; C425-L429 WeakPolarHBondContact O-CG 3.41Å; C425-L429 PolarHBondContact O-N 3.39Å; L429-M431 VanDerWaalsContact C-N 3.27Å; L429-M431 PolarHBondContact O-N 3.35Å; L429-H432 PolarHBondContact O-N 2.95Å; L429-F435 HydrophobicContact CB-CB 4.33Å; L429-F435 HydrophobicContact CB-CG 4.46Å; L429-F435 HydrophobicContact CD1-CD1 4.44Å; L429-F435 HydrophobicContact CD2-CD1 3.8Å; L429-F435 HydrophobicContact CD2-CD2 4Å; L429-F435 HydrophobicContact CD2-CE1 3.81Å; L429-F435 HydrophobicContact CD2-CE2 4Å; L429-F435 HydrophobicContact CD2-CG 3.9Å; L429-F435 HydrophobicContact CD2-CZ 3.9Å; L429-F435 HydrophobicContact CG-CD1 4.48Å; L429-F435 WeakPolarHBondContact O-CB 3.33Å; L429-L442 HydrophobicContact CB-CD2 4.06Å |
| 430 | R | 95.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 18% | 0.177 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.1 | -26.3 | 172 | -79.4 | 178.3 | 176.1 | -168 | -2.2 | 113.9 | Q426 C427 T428 R436 L442 D451 P455 | Q426-R430 VanDerWaalsContact O-CB 3.31Å; Q426-R430 WeakPolarHBondContact O-CB 3.31Å; Q426-R430 VanDerWaalsContact O-CG 3.24Å; Q426-R430 WeakPolarHBondContact O-CG 3.2Å; Q426-R430 PolarHBondContact O-N 3.41Å; C427-R430 PolarHBondContact O-N 3.34Å; T428-R430 VanDerWaalsContact C-N 3.32Å; T428-R430 PolarHBondContact O-N 3.42Å; R430-R436 WeakPolarHBondContact O-CB 3.29Å; R430-L442 HydrophobicContact CG-CD1 3.79Å; R430-L442 HydrophobicContact CG-CD2 3.91Å; R430-L442 HydrophobicContact CG-CG 4.42Å; R430-D451 IonicContact CZ-OD1 3.48Å; R430-D451 IonicContact CZ-OD2 3.4Å; R430-D451 VanDerWaalsContact NH1-CG 3.26Å; R430-D451 IonicContact NH1-OD1 3.68Å; R430-D451 PolarHBondContact NH1-OD1 2.92Å; R430-D451 IonicContact NH1-OD2 3.65Å; R430-D451 IonicContact NH2-OD1 3.41Å; R430-D451 PolarHBondContact NH2-OD1 2.97Å; R430-D451 IonicContact NH2-OD2 2.56Å; R430-P455 VanDerWaalsContact NH1-CB 3.32Å |
| 431 | M | 96 | Very high | 96.5 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 17% | 0.167 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -92.1 | -26.5 | 177.8 | -65.9 | -171.5 | 72.9 | 0 | 0 | 113.1 | C427 T428 L429 R433 L461 I464 T465 F477 | C427-M431 WeakPolarHBondContact O-CG 3.31Å; C427-M431 PolarHBondContact O-N 3.05Å; C427-M431 VanDerWaalsContact O-N 3.16Å; T428-M431 PolarHBondContact O-N 3.39Å; T428-M431 VanDerWaalsContact O-N 3.15Å; L429-M431 VanDerWaalsContact C-N 3.27Å; L429-M431 PolarHBondContact O-N 3.35Å; M431-R433 PolarHBondContact O-N 3.08Å; M431-L461 HydrophobicContact CE-CB 4.11Å; M431-L461 HydrophobicContact CG-CD2 3.84Å; M431-L461 HydrophobicContact SD-CB 3.76Å; M431-L461 HydrophobicContact SD-CD2 3.53Å; M431-L461 VanDerWaalsContact SD-CD2 3.53Å; M431-L461 HydrophobicContact SD-CG 4.18Å; M431-I464 HydrophobicContact CB-CG2 4.49Å; M431-I464 HydrophobicContact SD-CB 3.75Å; M431-I464 HydrophobicContact SD-CG1 4.4Å; M431-I464 HydrophobicContact SD-CG2 3.57Å; M431-I464 VanDerWaalsContact SD-CG2 3.57Å; M431-T465 VanDerWaalsContact CE-OG1 3.31Å; M431-T465 WeakPolarHBondContact CE-OG1 3.31Å; M431-F477 HydrophobicContact CB-CD1 3.74Å; M431-F477 HydrophobicContact CB-CE1 4.28Å |
| 432 | H | 96.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -73.1 | 127.3 | -173.7 | -168.9 | -66.5 | 0 | 0 | 0 | 111.4 | T428 L429 S434 F435 R436 F477 | T428-H432 WeakPolarHBondContact O-CB 3.09Å; T428-H432 PolarHBondContact O-N 3.06Å; L429-H432 PolarHBondContact O-N 2.95Å; H432-S434 VanDerWaalsContact C-N 3.29Å; H432-S434 PolarHBondContact CE1-OG 3.06Å; H432-S434 PolarHBondContact ND1-N 2.9Å; H432-S434 PolarHBondContact O-N 3.08Å; H432-S434 VanDerWaalsContact O-N 3.15Å; H432-F435 HydrophobicContact CB-CD2 3.82Å; H432-F435 AromaticContact CG-CD2 3.69Å; H432-F435 AromaticContact ND1-CD2 3.41Å; H432-F435 WeakPolarHBondContact ND1-CD2 3.41Å; H432-F435 AromaticContact ND1-CE2 3.74Å; H432-F435 PolarHBondContact O-N 2.98Å; H432-R436 PolarHBondContact O-N 2.96Å; H432-F477 HydrophobicContact CB-CD1 4.33Å; H432-F477 HydrophobicContact CB-CE1 3.91Å; H432-F477 AromaticContact CD2-CZ 3.84Å |
| 433 | R | 95.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 32.7 Ų | 32.7 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -49.9 | -45.8 | -174.4 | -63.5 | 160.9 | -172.3 | -142.3 | -6.2 | 113.4 | M431 F435 S475 A476 R478 N480 | M431-R433 PolarHBondContact O-N 3.08Å; R433-F435 PolarHBondContact O-N 3.24Å; R433-S475 WeakPolarHBondContact CD-O 3.38Å; R433-S475 VanDerWaalsContact NE-C 3.32Å; R433-S475 PolarHBondContact NE-O 3.42Å; R433-S475 PolarHBondContact NH1-O 2.9Å; R433-S475 PolarHBondContact NH2-O 3.03Å; R433-A476 WeakPolarHBondContact CD-O 3.49Å; R433-A476 WeakPolarHBondContact CG-O 3.29Å; R433-A476 PolarHBondContact N-O 3.22Å; R433-R478 PolarHBondContact NE-O 3.15Å; R433-R478 VanDerWaalsContact NH2-C 3.31Å; R433-R478 PolarHBondContact NH2-O 3.17Å; R433-N480 PolarHBondContact NH1-OD1 3.05Å |
| 434 | S | 94.7 | Very high | 96.3 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.1 | -9.4 | -178 | -45.8 | 0 | 0 | 0 | 0 | 115.2 | P340 H432 | P340-S434 VanDerWaalsContact CG-O 3.27Å; P340-S434 WeakPolarHBondContact CG-O 3.43Å; H432-S434 VanDerWaalsContact C-N 3.29Å; H432-S434 PolarHBondContact CE1-OG 3.06Å; H432-S434 PolarHBondContact ND1-N 2.9Å; H432-S434 PolarHBondContact O-N 3.08Å; H432-S434 VanDerWaalsContact O-N 3.15Å |
| 435 | F | 95.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -119.2 | -42.6 | -174.3 | -65 | -97.7 | 0 | 0 | 0 | 112.4 | P340 F342 L343 L352 I367 L429 H432 R433 D437 N438 | P340-F435 HydrophobicContact CG-CD1 3.64Å; P340-F435 HydrophobicContact CG-CD2 4.49Å; P340-F435 HydrophobicContact CG-CE1 3.6Å; P340-F435 HydrophobicContact CG-CE2 4.47Å; P340-F435 HydrophobicContact CG-CG 4.1Å; P340-F435 HydrophobicContact CG-CZ 4.05Å; F342-F435 HydrophobicContact CE1-CE2 4.31Å; F342-F435 HydrophobicContact CE1-CZ 4.42Å; F342-F435 HydrophobicContact CZ-CE2 4.04Å; F342-F435 HydrophobicContact CZ-CZ 4.12Å; L343-F435 HydrophobicContact CD1-CE1 4.12Å; L343-F435 HydrophobicContact CD1-CZ 3.72Å; L352-F435 HydrophobicContact CD2-CE1 3.85Å; L352-F435 HydrophobicContact CD2-CZ 3.86Å; I367-F435 HydrophobicContact CB-CE2 4.32Å; I367-F435 HydrophobicContact CG2-CE2 4.24Å; I367-F435 HydrophobicContact CG2-CZ 4.01Å; L429-F435 HydrophobicContact CB-CB 4.33Å; L429-F435 HydrophobicContact CB-CG 4.46Å; L429-F435 HydrophobicContact CD1-CD1 4.44Å; L429-F435 HydrophobicContact CD2-CD1 3.8Å; L429-F435 HydrophobicContact CD2-CD2 4Å; L429-F435 HydrophobicContact CD2-CE1 3.81Å; L429-F435 HydrophobicContact CD2-CE2 4Å; L429-F435 HydrophobicContact CD2-CG 3.9Å; L429-F435 HydrophobicContact CD2-CZ 3.9Å; L429-F435 HydrophobicContact CG-CD1 4.48Å; L429-F435 WeakPolarHBondContact O-CB 3.33Å; H432-F435 HydrophobicContact CB-CD2 3.82Å; H432-F435 AromaticContact CG-CD2 3.69Å; H432-F435 AromaticContact ND1-CD2 3.41Å; H432-F435 WeakPolarHBondContact ND1-CD2 3.41Å; H432-F435 AromaticContact ND1-CE2 3.74Å; H432-F435 PolarHBondContact O-N 2.98Å; R433-F435 PolarHBondContact O-N 3.24Å; F435-D437 PolarHBondContact O-N 3.29Å; F435-N438 PolarHBondContact O-N 2.49Å |
| 436 | R | 93.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 37 Ų | 37 | 25% | 0.249 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.8 | -27.9 | -167.5 | 70.5 | -175.6 | 179.1 | 174.5 | -0 | 116.1 | R430 H432 N438 D479 | R430-R436 WeakPolarHBondContact O-CB 3.29Å; H432-R436 PolarHBondContact O-N 2.96Å; R436-N438 VanDerWaalsContact C-N 3.32Å; R436-N438 PolarHBondContact O-N 2.88Å; R436-D479 IonicContact CZ-OD1 2.75Å; R436-D479 IonicContact CZ-OD2 3.83Å; R436-D479 IonicContact NH1-OD1 2.85Å; R436-D479 PolarHBondContact NH1-OD1 3.39Å; R436-D479 IonicContact NH1-OD2 2.67Å; R436-D479 PolarHBondContact NH1-OD2 3.37Å; R436-D479 IonicContact NH2-OD1 3.44Å; R436-D479 PolarHBondContact NH2-OD1 3.04Å; R436-D479 IonicContact NH2-OD2 3.87Å |
| 437 | D | 92.6 | Very high | 96 | Very high | 128 Ų | 128 | 38.7 Ų | 38.7 | 68% | 0.684 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | -173.8 | -59.3 | -33.2 | 0 | 0 | 0 | 113.7 | F435 | F435-D437 PolarHBondContact O-N 3.29Š|
| 438 | N | 95.4 | Very high | 95.9 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | trans | -129.1 | 111.8 | 179.2 | -175.1 | -8.2 | 0 | 0 | 0 | 110.6 | F435 R436 K440 Y441 | F435-N438 PolarHBondContact O-N 2.49Å; R436-N438 VanDerWaalsContact C-N 3.32Å; R436-N438 PolarHBondContact O-N 2.88Å; N438-K440 PolarHBondContact O-N 2.8Å; N438-K440 VanDerWaalsContact OD1-CB 3.29Å; N438-K440 WeakPolarHBondContact OD1-CB 3.41Å; N438-K440 PolarHBondContact OD1-N 3.22Å; N438-Y441 HydrophobicContact CB-CD1 4.44Å; N438-Y441 HydrophobicContact CB-CD2 3.58Å; N438-Y441 HydrophobicContact CB-CE2 3.75Å; N438-Y441 HydrophobicContact CB-CG 3.96Å; N438-Y441 WeakPolarHBondContact ND2-CE1 3.26Å; N438-Y441 WeakPolarHBondContact O-CB 3.32Å; N438-Y441 PolarHBondContact O-N 3.45Å | ||
| 439 | P | 94.7 | Very high | 95.8 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -54.6 | -29.5 | 178.7 | -27.3 | 34.9 | 0 | 0 | 0 | 113.8 | Y441 L442 H444 | P439-Y441 PolarHBondContact O-N 2.86Å; P439-L442 WeakPolarHBondContact O-CB 3.37Å; P439-L442 PolarHBondContact O-N 3.26Å; P439-H444 PolarHBondContact O-CE1 3.4Å; P439-H444 VanDerWaalsContact O-CE1 3.32Å |
| 440 | K | 95.9 | Very high | 95.7 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -64.8 | -18.4 | 177.4 | -64.8 | -172.2 | 176.6 | -179.3 | 0 | 114 | P336 V337 E338 N438 L442 | P336-K440 WeakPolarHBondContact CB-O 3.48Å; V337-K440 HydrophobicContact CG2-CB 3.6Å; V337-K440 HydrophobicContact CG2-CD 4.23Å; V337-K440 HydrophobicContact CG2-CG 3.86Å; V337-K440 PolarHBondContact N-O 3.1Å; V337-K440 VanDerWaalsContact N-O 3.08Å; E338-K440 HydrophobicContact CB-CB 4.19Å; E338-K440 VanDerWaalsContact CD-CD 3.43Å; E338-K440 HydrophobicContact CG-CB 4.32Å; E338-K440 HydrophobicContact CG-CD 4.14Å; E338-K440 PolarHBondContact N-O 3.46Å; E338-K440 VanDerWaalsContact N-O 3.11Å; E338-K440 WeakPolarHBondContact OE1-CD 3.48Å; E338-K440 WeakPolarHBondContact OE1-CE 3.29Å; E338-K440 IonicContact OE1-NZ 3.58Å; E338-K440 PolarHBondContact OE1-NZ 3.29Å; N438-K440 PolarHBondContact O-N 2.8Å; N438-K440 VanDerWaalsContact OD1-CB 3.29Å; N438-K440 WeakPolarHBondContact OD1-CB 3.41Å; N438-K440 PolarHBondContact OD1-N 3.22Å; K440-L442 VanDerWaalsContact C-N 3.29Å |
| 441 | Y | 96.9 | Very high | 95.5 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -88.3 | 2.8 | 176.3 | -59.8 | -15.4 | 0 | 0 | 0 | 112.8 | P336 E338 P340 N438 P439 | P336-Y441 WeakPolarHBondContact CG-O 3.19Å; E338-Y441 HydrophobicContact CB-CD1 3.81Å; E338-Y441 HydrophobicContact CB-CE1 3.6Å; E338-Y441 VanDerWaalsContact O-CD1 3.32Å; E338-Y441 WeakPolarHBondContact O-CD1 3.43Å; P340-Y441 HydrophobicContact CB-CE2 4.26Å; P340-Y441 HydrophobicContact CG-CD2 3.76Å; P340-Y441 HydrophobicContact CG-CE2 3.99Å; P340-Y441 HydrophobicContact CG-CG 4.13Å; N438-Y441 HydrophobicContact CB-CD1 4.44Å; N438-Y441 HydrophobicContact CB-CD2 3.58Å; N438-Y441 HydrophobicContact CB-CE2 3.75Å; N438-Y441 HydrophobicContact CB-CG 3.96Å; N438-Y441 WeakPolarHBondContact ND2-CE1 3.26Å; N438-Y441 WeakPolarHBondContact O-CB 3.32Å; N438-Y441 PolarHBondContact O-N 3.45Å; P439-Y441 PolarHBondContact O-N 2.86Å |
| 442 | L | 97 | Very high | 95.3 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -106.5 | 143.4 | -177.5 | -54.8 | -179.9 | 0 | 0 | 0 | 111.4 | P336 L429 R430 P439 K440 H444 | P336-L442 WeakPolarHBondContact CA-O 3.37Å; L429-L442 HydrophobicContact CB-CD2 4.06Å; R430-L442 HydrophobicContact CG-CD1 3.79Å; R430-L442 HydrophobicContact CG-CD2 3.91Å; R430-L442 HydrophobicContact CG-CG 4.42Å; P439-L442 WeakPolarHBondContact O-CB 3.37Å; P439-L442 PolarHBondContact O-N 3.26Å; K440-L442 VanDerWaalsContact C-N 3.29Å; L442-H444 PolarHBondContact O-CE1 3.47Å; L442-H444 PolarHBondContact O-ND1 2.95Å |
| 443 | P | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -74.2 | 148 | 170.7 | 32.7 | -34.3 | 0 | 0 | 0 | 109.9 | C334 F353 F422 Q426 | C334-P443 VanDerWaalsContact O-CA 3.29Å; C334-P443 WeakPolarHBondContact O-CA 3.41Å; C334-P443 WeakPolarHBondContact O-CB 3.48Å; F353-P443 HydrophobicContact CD2-CB 4.17Å; F353-P443 HydrophobicContact CE2-CB 3.91Å; F422-P443 HydrophobicContact CE2-CB 3.9Å; F422-P443 HydrophobicContact CZ-CB 4.39Å; Q426-P443 HydrophobicContact CB-CG 3.94Å; Q426-P443 HydrophobicContact CG-CG 4.19Å; Q426-P443 PolarHBondContact NE2-O 2.84Å | ||
| 444 | H | 97.2 | Very high | 95.1 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 160.9 | -178.1 | -64.6 | 88.5 | 0 | 0 | 0 | 110.4 | L320 C334 F422 P439 L442 | L320-H444 HydrophobicContact CD1-CB 3.75Å; L320-H444 HydrophobicContact CD2-CB 3.93Å; L320-H444 HydrophobicContact CG-CB 4.49Å; C334-H444 PolarHBondContact N-O 3.25Å; C334-H444 PolarHBondContact O-N 3.1Å; F422-H444 WeakPolarHBondContact CZ-O 2.98Å; P439-H444 PolarHBondContact O-CE1 3.4Å; P439-H444 VanDerWaalsContact O-CE1 3.32Å; L442-H444 PolarHBondContact O-CE1 3.47Å; L442-H444 PolarHBondContact O-ND1 2.95Å |
| 445 | S | 97.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.8 | 175.6 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | V332 Y406 P447 S448 F449 | V332-S445 CarbonylContact O-C 3.52Å; V332-S445 WeakPolarHBondContact O-CA 3.39Å; V332-S445 WeakPolarHBondContact O-CB 3.06Å; Y406-S445 VanDerWaalsContact OH-CB 3.3Å; Y406-S445 WeakPolarHBondContact OH-CB 3.31Å; Y406-S445 PolarHBondContact OH-OG 2.89Å; S445-P447 CarbonylContact C-O 3.59Å; S445-P447 PolarHBondContact OG-O 2.74Å; S445-S448 WeakPolarHBondContact O-CA 3.36Å; S445-S448 PolarHBondContact O-N 3.04Å; S445-F449 WeakPolarHBondContact OG-CD2 3.32Å |
| 446 | S | 95.6 | Very high | 95 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.2 | 171.5 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | L320 A331 V332 | L320-S446 WeakPolarHBondContact O-CB 3.47Å; L320-S446 PolarHBondContact O-OG 3.11Å; A331-S446 CarbonylContact C-O 3.51Å; A331-S446 VanDerWaalsContact CA-O 3.27Å; A331-S446 WeakPolarHBondContact CA-O 3.41Å; V332-S446 PolarHBondContact N-O 3.36Å; V332-S446 PolarHBondContact O-N 3.26Å |
| 447 | P | 95.2 | Very high | 95.2 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 26% | 0.26 | 28% | 0.28 | S | S | . | . | S | Bend | cis | -59.3 | 147.3 | -5.3 | -24 | 36.1 | 0 | 0 | 0 | 112.3 | V330 D403 Y406 S445 | V330-P447 WeakPolarHBondContact O-CD 3.3Å; D403-P447 HydrophobicContact CB-CB 3.82Å; D403-P447 HydrophobicContact CB-CG 3.83Å; Y406-P447 HydrophobicContact CE2-CB 4.27Å; Y406-P447 WeakPolarHBondContact CE2-O 3.47Å; Y406-P447 PolarHBondContact OH-O 2.94Å; S445-P447 CarbonylContact C-O 3.59Å; S445-P447 PolarHBondContact OG-O 2.74Å |
| 448 | S | 95.4 | Very high | 95.4 | Very high | 94 Ų | 94 | 50.1 Ų | 50.1 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 140.7 | 180 | 54.3 | 0 | 0 | 0 | 0 | 111 | S445 | S445-S448 WeakPolarHBondContact O-CA 3.36Å; S445-S448 PolarHBondContact O-N 3.04Å |
| 449 | F | 95.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 143.7 | 166.1 | -61.3 | -72.6 | 0 | 0 | 0 | 110.2 | L396 Y406 I419 F422 L423 S445 D451 I454 P455 | L396-F449 HydrophobicContact CD2-CD1 4.3Å; L396-F449 HydrophobicContact CD2-CE1 3.62Å; L396-F449 HydrophobicContact CD2-CZ 4.33Å; Y406-F449 HydrophobicContact CD1-CE1 4.11Å; Y406-F449 AromaticContact CD1-CZ 3.66Å; Y406-F449 HydrophobicContact CD1-CZ 3.66Å; Y406-F449 AromaticContact CD2-CE1 3.71Å; Y406-F449 HydrophobicContact CD2-CE1 3.71Å; Y406-F449 AromaticContact CD2-CZ 3.98Å; Y406-F449 HydrophobicContact CD2-CZ 3.98Å; Y406-F449 HydrophobicContact CE1-CE1 4.2Å; Y406-F449 HydrophobicContact CE1-CE2 4.09Å; Y406-F449 AromaticContact CE1-CZ 3.46Å; Y406-F449 HydrophobicContact CE1-CZ 3.46Å; Y406-F449 VanDerWaalsContact CE1-CZ 3.46Å; Y406-F449 HydrophobicContact CE2-CD1 4.45Å; Y406-F449 AromaticContact CE2-CE1 3.81Å; Y406-F449 HydrophobicContact CE2-CE1 3.81Å; Y406-F449 HydrophobicContact CE2-CE2 4.41Å; Y406-F449 AromaticContact CE2-CZ 3.79Å; Y406-F449 HydrophobicContact CE2-CZ 3.79Å; Y406-F449 AromaticContact CG-CE1 3.86Å; Y406-F449 HydrophobicContact CG-CE1 3.86Å; Y406-F449 AromaticContact CG-CZ 3.92Å; Y406-F449 HydrophobicContact CG-CZ 3.92Å; Y406-F449 AromaticContact CZ-CE2 3.93Å; Y406-F449 AromaticContact CZ-CZ 3.53Å; I419-F449 HydrophobicContact CG2-CZ 4.37Å; F422-F449 HydrophobicContact CD1-CE2 4.05Å; F422-F449 HydrophobicContact CE1-CD2 4.16Å; F422-F449 AromaticContact CE1-CE2 3.83Å; F422-F449 HydrophobicContact CE1-CE2 3.83Å; L423-F449 HydrophobicContact CD2-CD2 3.76Å; L423-F449 HydrophobicContact CD2-CE2 3.77Å; L423-F449 HydrophobicContact CD2-CG 4.21Å; L423-F449 HydrophobicContact CD2-CZ 4.22Å; S445-F449 WeakPolarHBondContact OG-CD2 3.32Å; F449-D451 PolarHBondContact O-N 3.35Å; F449-I454 HydrophobicContact CD1-CD1 3.82Å; F449-I454 HydrophobicContact CE1-CD1 4.49Å; F449-P455 HydrophobicContact CB-CG 4.12Å |
| 450 | D | 95.5 | Very high | 95.6 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 125 | 169.9 | -177.9 | -86.9 | 0 | 0 | 0 | 109.9 | L401 T452 E453 I454 P455 | L401-D450 HydrophobicContact CB-CB 4.45Å; L401-D450 HydrophobicContact CD1-CB 4.01Å; D450-T452 VanDerWaalsContact C-N 3.3Å; D450-T452 PolarHBondContact O-N 2.97Å; D450-T452 WeakPolarHBondContact OD1-CA 3.44Å; D450-T452 PolarHBondContact OD1-N 2.97Å; D450-T452 PolarHBondContact OD1-OG1 3.41Å; D450-E453 HydrophobicContact CB-CB 3.95Å; D450-E453 PolarHBondContact O-N 3.21Å; D450-E453 PolarHBondContact OD1-N 3.09Å; D450-I454 PolarHBondContact O-N 3.14Å; D450-I454 VanDerWaalsContact O-N 3.09Å; D450-P455 WeakPolarHBondContact O-CD 3.47Å |
| 451 | D | 91.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 42 Ų | 42 | 35% | 0.353 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -40.9 | -173.3 | -92.6 | 1.8 | 0 | 0 | 0 | 112.5 | R430 F449 P455 Q456 | R430-D451 IonicContact CZ-OD1 3.48Å; R430-D451 IonicContact CZ-OD2 3.4Å; R430-D451 VanDerWaalsContact NH1-CG 3.26Å; R430-D451 IonicContact NH1-OD1 3.68Å; R430-D451 PolarHBondContact NH1-OD1 2.92Å; R430-D451 IonicContact NH1-OD2 3.65Å; R430-D451 IonicContact NH2-OD1 3.41Å; R430-D451 PolarHBondContact NH2-OD1 2.97Å; R430-D451 IonicContact NH2-OD2 2.56Å; F449-D451 PolarHBondContact O-N 3.35Å; D451-P455 WeakPolarHBondContact O-CD 3.23Å; D451-Q456 WeakPolarHBondContact O-CA 3.27Å; D451-Q456 WeakPolarHBondContact O-CB 3.35Å; D451-Q456 WeakPolarHBondContact O-CG 3.24Å; D451-Q456 PolarHBondContact O-N 3.3Å |
| 452 | T | 90.7 | Very high | 95.7 | Very high | 106 Ų | 106 | 47.9 Ų | 47.9 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -31.7 | -176.5 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | D450 | D450-T452 VanDerWaalsContact C-N 3.3Å; D450-T452 PolarHBondContact O-N 2.97Å; D450-T452 WeakPolarHBondContact OD1-CA 3.44Å; D450-T452 PolarHBondContact OD1-N 2.97Å; D450-T452 PolarHBondContact OD1-OG1 3.41Å |
| 453 | E | 93.6 | Very high | 95.8 | Very high | 50 Ų | 50 | 48 Ų | 48 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -38.3 | -176 | -163 | 176.7 | -157.3 | 0 | 0 | 112.8 | S399 L401 D450 | S399-E453 WeakPolarHBondContact CA-OE1 3.32Å; S399-E453 WeakPolarHBondContact CB-OE1 3.49Å; S399-E453 WeakPolarHBondContact CB-OE2 3.47Å; S399-E453 PolarHBondContact OG-OE1 2.92Å; S399-E453 PolarHBondContact OG-OE2 3.42Å; L401-E453 WeakPolarHBondContact CB-OE2 3.37Å; L401-E453 WeakPolarHBondContact CD1-OE2 3.34Å; L401-E453 VanDerWaalsContact CG-OE2 3.29Å; L401-E453 WeakPolarHBondContact CG-OE2 3.04Å; D450-E453 HydrophobicContact CB-CB 3.95Å; D450-E453 PolarHBondContact O-N 3.21Å; D450-E453 PolarHBondContact OD1-N 3.09Å |
| 454 | I | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -76.4 | -177.1 | -61.9 | 171.5 | 0 | 0 | 0 | 112.2 | L395 L396 V402 L423 F449 D450 Q456 H457 L460 | L395-I454 HydrophobicContact CB-CG1 4.16Å; L396-I454 HydrophobicContact CD2-CD1 3.93Å; L396-I454 HydrophobicContact CG-CD1 4.49Å; V402-I454 HydrophobicContact CG2-CD1 3.28Å; L423-I454 HydrophobicContact CD1-CG2 3.86Å; L423-I454 HydrophobicContact CD2-CG2 3.71Å; L423-I454 HydrophobicContact CG-CG2 4.4Å; F449-I454 HydrophobicContact CD1-CD1 3.82Å; F449-I454 HydrophobicContact CE1-CD1 4.49Å; D450-I454 PolarHBondContact O-N 3.14Å; D450-I454 VanDerWaalsContact O-N 3.09Å; I454-Q456 VanDerWaalsContact C-N 3.25Å; I454-Q456 PolarHBondContact O-N 3.3Å; I454-Q456 VanDerWaalsContact O-N 3.13Å; I454-H457 WeakPolarHBondContact O-CB 3.34Å; I454-H457 PolarHBondContact O-N 3.41Å; I454-L460 HydrophobicContact CG2-CD1 4.33Å; I454-L460 WeakPolarHBondContact O-CD1 3.38Å |
| 455 | P | 93.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.2 | -162.3 | -14.1 | 29.1 | 0 | 0 | 0 | 114.3 | Q426 C427 R430 F449 D450 D451 | Q426-P455 HydrophobicContact CG-CB 4.3Å; C427-P455 PolarHBondContact SG-O 3.39Å; R430-P455 VanDerWaalsContact NH1-CB 3.32Å; F449-P455 HydrophobicContact CB-CG 4.12Å; D450-P455 WeakPolarHBondContact O-CD 3.47Å; D451-P455 WeakPolarHBondContact O-CD 3.23Å |
| 456 | Q | 94.8 | Very high | 95.8 | Very high | 99 Ų | 99 | 49.7 Ų | 49.7 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 12.6 | 171.9 | -53 | -172.5 | 42.5 | 0 | 0 | 112.8 | D451 I454 L461 | D451-Q456 WeakPolarHBondContact O-CA 3.27Å; D451-Q456 WeakPolarHBondContact O-CB 3.35Å; D451-Q456 WeakPolarHBondContact O-CG 3.24Å; D451-Q456 PolarHBondContact O-N 3.3Å; I454-Q456 VanDerWaalsContact C-N 3.25Å; I454-Q456 PolarHBondContact O-N 3.3Å; I454-Q456 VanDerWaalsContact O-N 3.13Å; Q456-L461 WeakPolarHBondContact O-CD1 2.88Å |
| 457 | H | 97.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | trans | -60.3 | 126.6 | 179.5 | -175.8 | -94.7 | 0 | 0 | 0 | 110.5 | L395 I454 G459 L460 L461 | L395-H457 HydrophobicContact CD1-CB 3.83Å; I454-H457 WeakPolarHBondContact O-CB 3.34Å; I454-H457 PolarHBondContact O-N 3.41Å; H457-G459 PolarHBondContact ND1-N 3.34Å; H457-G459 PolarHBondContact O-N 3.39Å; H457-L460 HydrophobicContact CB-CG 4.26Å; H457-L460 PolarHBondContact O-N 3.45Å; H457-L461 PolarHBondContact O-N 3.24Å; H457-L461 VanDerWaalsContact O-N 3.16Å | ||
| 458 | P | 96.9 | Very high | 96.1 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 63% | 0.63 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.4 | -34.1 | -172.6 | -28.1 | 34.2 | 0 | 0 | 0 | 114.1 | R462 | P458-R462 WeakPolarHBondContact O-CB 3.46Å; P458-R462 PolarHBondContact O-N 3.04Å |
| 459 | G | 97.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H457 L463 | H457-G459 PolarHBondContact ND1-N 3.34Å; H457-G459 PolarHBondContact O-N 3.39Å; G459-L463 WeakPolarHBondContact O-CG 3.28Å; G459-L463 PolarHBondContact O-N 3.37Å |
| 460 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.6 | -45.3 | 177.5 | -63.5 | -168.3 | 0 | 0 | 0 | 110.8 | F388 E391 A392 L395 I454 H457 R462 L463 I464 | F388-L460 HydrophobicContact CD2-CB 4.3Å; F388-L460 HydrophobicContact CD2-CD2 4.12Å; F388-L460 HydrophobicContact CE2-CB 3.76Å; F388-L460 HydrophobicContact CE2-CD1 4.24Å; F388-L460 HydrophobicContact CE2-CD2 4.03Å; F388-L460 HydrophobicContact CE2-CG 4.22Å; F388-L460 HydrophobicContact CG-CD2 4.49Å; F388-L460 HydrophobicContact CZ-CB 4.41Å; F388-L460 HydrophobicContact CZ-CD1 4.06Å; F388-L460 HydrophobicContact CZ-CD2 4.3Å; F388-L460 HydrophobicContact CZ-CG 4.5Å; E391-L460 HydrophobicContact CB-CD2 3.83Å; E391-L460 HydrophobicContact CG-CD2 3.93Å; A392-L460 HydrophobicContact CB-CD1 4.33Å; A392-L460 HydrophobicContact CB-CD2 4.06Å; L395-L460 HydrophobicContact CD1-CD1 3.9Å; L395-L460 HydrophobicContact CD1-CD2 4.23Å; L395-L460 HydrophobicContact CD1-CG 3.89Å; I454-L460 HydrophobicContact CG2-CD1 4.33Å; I454-L460 WeakPolarHBondContact O-CD1 3.38Å; H457-L460 HydrophobicContact CB-CG 4.26Å; H457-L460 PolarHBondContact O-N 3.45Å; L460-R462 VanDerWaalsContact C-N 3.3Å; L460-R462 PolarHBondContact O-N 3.37Å; L460-L463 PolarHBondContact O-N 3.27Å; L460-L463 VanDerWaalsContact O-N 3.1Å; L460-I464 PolarHBondContact O-N 3.23Å; L460-I464 VanDerWaalsContact O-N 3.1Å |
| 461 | L | 97.2 | Very high | 96.4 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 179 | -56.2 | -174.9 | 0 | 0 | 0 | 112.1 | M431 Q456 H457 L463 I464 T465 | M431-L461 HydrophobicContact CE-CB 4.11Å; M431-L461 HydrophobicContact CG-CD2 3.84Å; M431-L461 HydrophobicContact SD-CB 3.76Å; M431-L461 HydrophobicContact SD-CD2 3.53Å; M431-L461 VanDerWaalsContact SD-CD2 3.53Å; M431-L461 HydrophobicContact SD-CG 4.18Å; Q456-L461 WeakPolarHBondContact O-CD1 2.88Å; H457-L461 PolarHBondContact O-N 3.24Å; H457-L461 VanDerWaalsContact O-N 3.16Å; L461-L463 PolarHBondContact O-N 2.79Å; L461-I464 PolarHBondContact O-N 2.99Å; L461-T465 PolarHBondContact O-N 3.36Å; L461-T465 PolarHBondContact O-OG1 2.97Å |
| 462 | R | 97.6 | Very high | 96.6 | Very high | 161 Ų | 161 | 49.7 Ų | 49.7 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.5 | -44.5 | 172.7 | -174.2 | 179.2 | 65.4 | 169 | -0.5 | 111.8 | P458 L460 I464 T465 D466 | P458-R462 WeakPolarHBondContact O-CB 3.46Å; P458-R462 PolarHBondContact O-N 3.04Å; L460-R462 VanDerWaalsContact C-N 3.3Å; L460-R462 PolarHBondContact O-N 3.37Å; R462-I464 VanDerWaalsContact C-N 3.33Å; R462-I464 PolarHBondContact O-N 3.32Å; R462-T465 CarbonylContact O-C 3.53Å; R462-T465 WeakPolarHBondContact O-CB 3.49Å; R462-T465 PolarHBondContact O-N 3.42Å; R462-T465 VanDerWaalsContact O-N 3.1Å; R462-D466 VanDerWaalsContact O-CG 3.25Å; R462-D466 PolarHBondContact O-N 2.95Å |
| 463 | L | 98.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.9 | -35.5 | -179.9 | -69.3 | 166.6 | 0 | 0 | 0 | 112.4 | K387 F388 E391 G459 L460 L461 T465 L467 | K387-L463 HydrophobicContact CB-CD1 4.45Å; K387-L463 HydrophobicContact CB-CD2 3.97Å; F388-L463 HydrophobicContact CB-CB 4.38Å; F388-L463 HydrophobicContact CB-CD1 4.26Å; F388-L463 HydrophobicContact CD2-CB 4.36Å; E391-L463 HydrophobicContact CB-CD1 4.13Å; G459-L463 WeakPolarHBondContact O-CG 3.28Å; G459-L463 PolarHBondContact O-N 3.37Å; L460-L463 PolarHBondContact O-N 3.27Å; L460-L463 VanDerWaalsContact O-N 3.1Å; L461-L463 PolarHBondContact O-N 2.79Å; L463-T465 VanDerWaalsContact C-N 3.32Å; L463-L467 PolarHBondContact O-N 3.44Å; L463-L467 VanDerWaalsContact O-N 3.13Å |
| 464 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -39.2 | 171.3 | -65.7 | -56.6 | 0 | 0 | 0 | 111.4 | Y364 F388 F424 C427 T428 M431 L460 L461 R462 L467 A468 F477 | Y364-I464 HydrophobicContact CE2-CG2 4.17Å; Y364-I464 PolarHBondContact OH-O 3.29Å; Y364-I464 VanDerWaalsContact OH-O 3.06Å; F388-I464 HydrophobicContact CD2-CD1 3.97Å; F388-I464 HydrophobicContact CD2-CG1 4.22Å; F388-I464 HydrophobicContact CE2-CD1 3.96Å; F388-I464 HydrophobicContact CE2-CG1 4.05Å; F424-I464 HydrophobicContact CD2-CD1 3.91Å; F424-I464 HydrophobicContact CE1-CD1 4.28Å; F424-I464 HydrophobicContact CE2-CD1 3.51Å; F424-I464 HydrophobicContact CG-CD1 4.44Å; F424-I464 HydrophobicContact CZ-CD1 3.73Å; C427-I464 HydrophobicContact CB-CG1 4.23Å; T428-I464 WeakPolarHBondContact OG1-CD1 3.38Å; M431-I464 HydrophobicContact CB-CG2 4.49Å; M431-I464 HydrophobicContact SD-CB 3.75Å; M431-I464 HydrophobicContact SD-CG1 4.4Å; M431-I464 HydrophobicContact SD-CG2 3.57Å; M431-I464 VanDerWaalsContact SD-CG2 3.57Å; L460-I464 PolarHBondContact O-N 3.23Å; L460-I464 VanDerWaalsContact O-N 3.1Å; L461-I464 PolarHBondContact O-N 2.99Å; R462-I464 VanDerWaalsContact C-N 3.33Å; R462-I464 PolarHBondContact O-N 3.32Å; I464-L467 PolarHBondContact O-N 3.08Å; I464-A468 PolarHBondContact O-N 3.24Å; I464-A468 VanDerWaalsContact O-N 3.08Å; I464-F477 HydrophobicContact CG2-CD1 4.34Å; I464-F477 HydrophobicContact CG2-CE1 4.08Å |
| 465 | T | 97.3 | Very high | 97 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.3 | -39.4 | 179 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | M431 L461 R462 L463 L467 A468 C469 M474 | M431-T465 VanDerWaalsContact CE-OG1 3.31Å; M431-T465 WeakPolarHBondContact CE-OG1 3.31Å; L461-T465 PolarHBondContact O-N 3.36Å; L461-T465 PolarHBondContact O-OG1 2.97Å; R462-T465 CarbonylContact O-C 3.53Å; R462-T465 WeakPolarHBondContact O-CB 3.49Å; R462-T465 PolarHBondContact O-N 3.42Å; R462-T465 VanDerWaalsContact O-N 3.1Å; L463-T465 VanDerWaalsContact C-N 3.32Å; T465-L467 PolarHBondContact O-N 3.4Å; T465-A468 WeakPolarHBondContact O-CB 3.15Å; T465-A468 PolarHBondContact O-N 3.38Å; T465-A468 VanDerWaalsContact O-N 3.14Å; T465-C469 PolarHBondContact O-N 2.71Å; T465-M474 HydrophobicContact CG2-CE 3.47Å; T465-M474 VanDerWaalsContact CG2-CE 3.47Å; T465-M474 HydrophobicContact CG2-SD 3.75Å; T465-M474 VanDerWaalsContact O-SD 3.38Å |
| 466 | D | 97.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 174.8 | -69.5 | -18.7 | 0 | 0 | 0 | 110.9 | Q384 R462 C469 T470 | Q384-D466 PolarHBondContact NE2-O 3.49Å; R462-D466 VanDerWaalsContact O-CG 3.25Å; R462-D466 PolarHBondContact O-N 2.95Å; D466-C469 PolarHBondContact O-N 3.05Å; D466-T470 WeakPolarHBondContact O-CB 3.47Å; D466-T470 PolarHBondContact O-N 3.06Å; D466-T470 PolarHBondContact O-OG1 2.79Å |
| 467 | L | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 172.6 | -178.1 | 62.8 | 0 | 0 | 0 | 111.8 | L361 Y364 C381 Q384 V385 F424 L463 I464 T465 C469 T470 L471 | L361-L467 HydrophobicContact CD1-CD1 4.19Å; L361-L467 HydrophobicContact CD1-CD2 4.46Å; Y364-L467 HydrophobicContact CD1-CD2 3.92Å; Y364-L467 HydrophobicContact CD1-CG 4.22Å; Y364-L467 HydrophobicContact CD2-CD2 3.78Å; Y364-L467 HydrophobicContact CE1-CD2 3.95Å; Y364-L467 HydrophobicContact CE1-CG 3.88Å; Y364-L467 HydrophobicContact CE2-CD2 3.79Å; Y364-L467 HydrophobicContact CE2-CG 4.35Å; Y364-L467 HydrophobicContact CG-CD2 3.83Å; C381-L467 HydrophobicContact CB-CD1 3.54Å; Q384-L467 VanDerWaalsContact OE1-CA 3.27Å; V385-L467 HydrophobicContact CG2-CD2 4.34Å; F424-L467 HydrophobicContact CE2-CD2 4.41Å; F424-L467 HydrophobicContact CZ-CD2 3.76Å; L463-L467 PolarHBondContact O-N 3.44Å; L463-L467 VanDerWaalsContact O-N 3.13Å; I464-L467 PolarHBondContact O-N 3.08Å; T465-L467 PolarHBondContact O-N 3.4Å; L467-C469 VanDerWaalsContact C-N 3.28Å; L467-C469 PolarHBondContact O-N 3.05Å; L467-T470 PolarHBondContact O-N 3.07Å; L467-L471 HydrophobicContact CD1-CD1 3.98Å; L467-L471 HydrophobicContact CD1-CG 4.39Å; L467-L471 HydrophobicContact CG-CD1 4.16Å; L467-L471 PolarHBondContact O-N 3.02Å |
| 468 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y364 I464 T465 L471 D472 V473 M474 F477 | Y364-A468 VanDerWaalsContact OH-CA 3.25Å; Y364-A468 WeakPolarHBondContact OH-CA 3.45Å; Y364-A468 WeakPolarHBondContact OH-CB 3.43Å; Y364-A468 PolarHBondContact OH-N 3.48Å; Y364-A468 VanDerWaalsContact OH-N 3.11Å; I464-A468 PolarHBondContact O-N 3.24Å; I464-A468 VanDerWaalsContact O-N 3.08Å; T465-A468 WeakPolarHBondContact O-CB 3.15Å; T465-A468 PolarHBondContact O-N 3.38Å; T465-A468 VanDerWaalsContact O-N 3.14Å; A468-L471 PolarHBondContact O-N 3.19Å; A468-D472 PolarHBondContact O-N 3.07Å; A468-D472 VanDerWaalsContact O-N 3.09Å; A468-V473 HydrophobicContact CB-CG2 4.26Å; A468-V473 PolarHBondContact O-N 3.4Å; A468-M474 HydrophobicContact CB-CG 4.34Å; A468-M474 HydrophobicContact CB-SD 3.54Å; A468-M474 VanDerWaalsContact CB-SD 3.54Å; A468-F477 HydrophobicContact CB-CD2 3.54Å; A468-F477 HydrophobicContact CB-CE2 3.93Å; A468-F477 HydrophobicContact CB-CG 4.28Å |
| 469 | C | 97.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 176.5 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | T465 D466 L467 L471 D472 M474 | T465-C469 PolarHBondContact O-N 2.71Å; D466-C469 PolarHBondContact O-N 3.05Å; L467-C469 VanDerWaalsContact C-N 3.28Å; L467-C469 PolarHBondContact O-N 3.05Å; C469-L471 VanDerWaalsContact C-N 3.28Å; C469-L471 PolarHBondContact O-N 3.24Å; C469-D472 PolarHBondContact O-N 3.02Å; C469-D472 VanDerWaalsContact O-N 3.14Å; C469-M474 HydrophobicContact CB-CG 4.16Å; C469-M474 HydrophobicContact CB-SD 3.94Å; C469-M474 PolarHBondContact N-SD 3.24Å |
| 470 | T | 97.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.1 | -33.5 | -179.4 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | L377 Q384 D466 L467 | L377-T470 HydrophobicContact CD1-CG2 3.84Å; Q384-T470 PolarHBondContact NE2-OG1 3Å; Q384-T470 PolarHBondContact OE1-OG1 3.44Å; D466-T470 WeakPolarHBondContact O-CB 3.47Å; D466-T470 PolarHBondContact O-N 3.06Å; D466-T470 PolarHBondContact O-OG1 2.79Å; L467-T470 PolarHBondContact O-N 3.07Å |
| 471 | L | 97.7 | Very high | 90.8 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.3 | 177.2 | -71.3 | 172.3 | 0 | 0 | 0 | 113.9 | Y364 I370 L373 L377 C381 L467 A468 C469 V473 | Y364-L471 HydrophobicContact CD1-CD1 3.73Å; Y364-L471 HydrophobicContact CE1-CD1 3.75Å; I370-L471 HydrophobicContact CD1-CB 3.96Å; I370-L471 HydrophobicContact CD1-CD1 4.19Å; I370-L471 HydrophobicContact CD1-CD2 4.06Å; I370-L471 HydrophobicContact CD1-CG 4.3Å; L373-L471 HydrophobicContact CD1-CD2 3.7Å; L373-L471 HydrophobicContact CD2-CD2 4.19Å; L377-L471 HydrophobicContact CD2-CD2 4.36Å; L377-L471 HydrophobicContact CG-CD2 4.38Å; C381-L471 VanDerWaalsContact SG-CD2 3.54Å; L467-L471 HydrophobicContact CD1-CD1 3.98Å; L467-L471 HydrophobicContact CD1-CG 4.39Å; L467-L471 HydrophobicContact CG-CD1 4.16Å; L467-L471 PolarHBondContact O-N 3.02Å; A468-L471 PolarHBondContact O-N 3.19Å; C469-L471 VanDerWaalsContact C-N 3.28Å; C469-L471 PolarHBondContact O-N 3.24Å; L471-V473 VanDerWaalsContact C-N 3.33Å; L471-V473 HydrophobicContact CB-CG2 3.82Å; L471-V473 PolarHBondContact O-N 3.43Å |
| 472 | D | 96.6 | Very high | 88 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 79% | 0.786 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 42.3 | -175.1 | -163.4 | 29 | 0 | 0 | 0 | 113.9 | A468 C469 | A468-D472 PolarHBondContact O-N 3.07Å; A468-D472 VanDerWaalsContact O-N 3.09Å; C469-D472 PolarHBondContact O-N 3.02Å; C469-D472 VanDerWaalsContact O-N 3.14Å |
| 473 | V | 97 | Very high | 84.9 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | trans | -125.8 | 27.8 | -178.8 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | Y364 C368 I370 A468 L471 S475 A476 F477 | Y364-V473 HydrophobicContact CE1-CG2 4.25Å; C368-V473 HydrophobicContact CB-CB 4.14Å; C368-V473 HydrophobicContact CB-CG1 4.04Å; C368-V473 HydrophobicContact CB-CG2 4.03Å; I370-V473 HydrophobicContact CD1-CG1 3.93Å; I370-V473 HydrophobicContact CG1-CG1 4.4Å; A468-V473 HydrophobicContact CB-CG2 4.26Å; A468-V473 PolarHBondContact O-N 3.4Å; L471-V473 VanDerWaalsContact C-N 3.33Å; L471-V473 HydrophobicContact CB-CG2 3.82Å; L471-V473 PolarHBondContact O-N 3.43Å; V473-S475 PolarHBondContact O-N 3Å; V473-S475 VanDerWaalsContact O-N 3.08Å; V473-A476 WeakPolarHBondContact O-CB 3.32Å; V473-A476 PolarHBondContact O-N 3.47Å; V473-F477 HydrophobicContact CG2-CE2 4.44Å | ||
| 474 | M | 96.3 | Very high | 81.5 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 16% | 0.163 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -55.8 | -26.9 | 175 | -72.5 | -65.4 | -60.5 | 0 | 0 | 112.8 | T465 A468 C469 A476 F477 R478 | T465-M474 HydrophobicContact CG2-CE 3.47Å; T465-M474 VanDerWaalsContact CG2-CE 3.47Å; T465-M474 HydrophobicContact CG2-SD 3.75Å; T465-M474 VanDerWaalsContact O-SD 3.38Å; A468-M474 HydrophobicContact CB-CG 4.34Å; A468-M474 HydrophobicContact CB-SD 3.54Å; A468-M474 VanDerWaalsContact CB-SD 3.54Å; C469-M474 HydrophobicContact CB-CG 4.16Å; C469-M474 HydrophobicContact CB-SD 3.94Å; C469-M474 PolarHBondContact N-SD 3.24Å; M474-A476 PolarHBondContact O-N 3.3Å; M474-A476 VanDerWaalsContact O-N 3.16Å; M474-F477 PolarHBondContact O-N 3.32Å; M474-F477 VanDerWaalsContact O-N 3.08Å; M474-R478 HydrophobicContact CE-CG 3.92Å; M474-R478 VanDerWaalsContact CE-NE 3.29Å; M474-R478 PolarHBondContact O-N 3.39Å |
| 475 | S | 94.7 | Very high | 78.3 | Confident | 88 Ų | 88 | 76.9 Ų | 76.9 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -67.1 | -1.5 | 172.6 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | R433 V473 | R433-S475 WeakPolarHBondContact CD-O 3.38Å; R433-S475 VanDerWaalsContact NE-C 3.32Å; R433-S475 PolarHBondContact NE-O 3.42Å; R433-S475 PolarHBondContact NH1-O 2.9Å; R433-S475 PolarHBondContact NH2-O 3.03Å; V473-S475 PolarHBondContact O-N 3Å; V473-S475 VanDerWaalsContact O-N 3.08Å |
| 476 | A | 95 | Very high | 77.4 | Confident | 13 Ų | 13 | 78.8 Ų | 78.8 | 11% | 0.107 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -97.5 | -13.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R433 V473 M474 | R433-A476 WeakPolarHBondContact CD-O 3.49Å; R433-A476 WeakPolarHBondContact CG-O 3.29Å; R433-A476 PolarHBondContact N-O 3.22Å; V473-A476 WeakPolarHBondContact O-CB 3.32Å; V473-A476 PolarHBondContact O-N 3.47Å; M474-A476 PolarHBondContact O-N 3.3Å; M474-A476 VanDerWaalsContact O-N 3.16Å |
| 477 | F | 95.4 | Very high | 76.3 | Confident | 13 Ų | 13 | 79.4 Ų | 79.4 | 6% | 0.057 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -27 | -170.2 | -64.3 | -86.1 | 0 | 0 | 0 | 114.7 | Y364 T428 M431 H432 I464 A468 V473 M474 | Y364-F477 HydrophobicContact CD2-CZ 4.4Å; Y364-F477 HydrophobicContact CE1-CE2 4.11Å; Y364-F477 HydrophobicContact CE1-CZ 4.18Å; Y364-F477 HydrophobicContact CE2-CE1 4.16Å; Y364-F477 HydrophobicContact CE2-CE2 4.15Å; Y364-F477 AromaticContact CE2-CZ 3.48Å; Y364-F477 HydrophobicContact CE2-CZ 3.48Å; Y364-F477 VanDerWaalsContact CE2-CZ 3.48Å; Y364-F477 AromaticContact CZ-CE2 3.53Å; Y364-F477 AromaticContact CZ-CZ 3.35Å; Y364-F477 WeakPolarHBondContact OH-CE2 3.45Å; Y364-F477 WeakPolarHBondContact OH-CZ 3.4Å; T428-F477 HydrophobicContact CG2-CE1 4.21Å; T428-F477 HydrophobicContact CG2-CZ 4.33Å; M431-F477 HydrophobicContact CB-CD1 3.74Å; M431-F477 HydrophobicContact CB-CE1 4.28Å; H432-F477 HydrophobicContact CB-CD1 4.33Å; H432-F477 HydrophobicContact CB-CE1 3.91Å; H432-F477 AromaticContact CD2-CZ 3.84Å; I464-F477 HydrophobicContact CG2-CD1 4.34Å; I464-F477 HydrophobicContact CG2-CE1 4.08Å; A468-F477 HydrophobicContact CB-CD2 3.54Å; A468-F477 HydrophobicContact CB-CE2 3.93Å; A468-F477 HydrophobicContact CB-CG 4.28Å; V473-F477 HydrophobicContact CG2-CE2 4.44Å; M474-F477 PolarHBondContact O-N 3.32Å; M474-F477 VanDerWaalsContact O-N 3.08Å |
| 478 | R | 85.2 | Confident | 75.1 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -74.6 | 164.8 | 176.2 | -81.8 | -175.5 | 174.8 | -178 | 0.9 | 113.2 | R433 M474 | R433-R478 PolarHBondContact NE-O 3.15Å; R433-R478 VanDerWaalsContact NH2-C 3.31Å; R433-R478 PolarHBondContact NH2-O 3.17Å; M474-R478 HydrophobicContact CE-CG 3.92Å; M474-R478 VanDerWaalsContact CE-NE 3.29Å; M474-R478 PolarHBondContact O-N 3.39Å |
| 479 | D | 70.8 | Confident | 73.7 | Confident | 77 Ų | 77 | 88.7 Ų | 88.7 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | trans | -78.6 | 148.7 | 157.6 | -80.4 | -68.1 | 0 | 0 | 0 | 110.1 | R436 D481 E482 | R436-D479 IonicContact CZ-OD1 2.75Å; R436-D479 IonicContact CZ-OD2 3.83Å; R436-D479 IonicContact NH1-OD1 2.85Å; R436-D479 PolarHBondContact NH1-OD1 3.39Å; R436-D479 IonicContact NH1-OD2 2.67Å; R436-D479 PolarHBondContact NH1-OD2 3.37Å; R436-D479 IonicContact NH2-OD1 3.44Å; R436-D479 PolarHBondContact NH2-OD1 3.04Å; R436-D479 IonicContact NH2-OD2 3.87Å; D479-D481 PolarHBondContact O-N 2.97Å; D479-E482 PolarHBondContact O-N 2.88Å | ||
| 480 | N | 55.5 | Low | 72.3 | Confident | 122 Ų | 122 | 89.1 Ų | 89.1 | 65% | 0.652 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -9.7 | 173.9 | -78.4 | -14.3 | 0 | 0 | 0 | 112.2 | R433 | R433-N480 PolarHBondContact NH1-OD1 3.05Š|
| 481 | D | 45.4 | Very low | 70.5 | Confident | 153 Ų | 153 | 91.9 Ų | 91.9 | 82% | 0.818 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -0 | -173.9 | -63.3 | -24.4 | 0 | 0 | 0 | 114.6 | D479 | D479-D481 PolarHBondContact O-N 2.97Š|
| 482 | E | 38.3 | Very low | 68.6 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 66% | 0.659 | 55% | 0.546 | S | S | * | . | trans | -97.5 | 17.8 | 177 | -73.7 | -163.6 | 159.3 | 0 | 0 | 114.8 | D479 | D479-E482 PolarHBondContact O-N 2.88Š| ||
| 483 | T | 31.5 | Very low | 66.5 | Low | 106 Ų | 106 | 93.5 Ų | 93.5 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -96.7 | 108 | 172.3 | 36.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 484 | V | 28.6 | Very low | 63.9 | Low | 134 Ų | 134 | 99.8 Ų | 99.8 | 81% | 0.812 | 56% | 0.563 | S | S | * | * | trans | 80.1 | 91 | 160 | -160.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 485 | C | 30.2 | Very low | 61 | Low | 204 Ų | 204 | 105.9 Ų | 105.9 | 100% | 1.378 | 60% | 0.599 | S | S | * | * | trans | -96.4 | 0 | 136.9 | -81.5 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 485 of 485 residues in 98.9 ms
(Link to these results)