| 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 | 45.7 | Very low | 47.4 | Very low | 201 Ų | 201 | 114.3 Ų | 114.3 | 99% | 0.99 | 61% | 0.61 | S | S | * | * | 0 | -46.4 | 0 | -105.8 | 177.5 | 170.4 | 0 | 0 | 113.1 | V3 V4 N5 | M1-V3 PolarHBondContact O-N 3.34Å; M1-V4 PolarHBondContact O-N 3.21Å; M1-N5 PolarHBondContact O-N 3.3Å; M1-N5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | L | 43.5 | Very low | 46.8 | Very low | 154 Ų | 154 | 112.2 Ų | 112.2 | 81% | 0.806 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.6 | -36.3 | -179.5 | -80.6 | 148.5 | 0 | 0 | 0 | 115.4 | A6 | L2-A6 WeakPolarHBondContact O-CB 3.46Å; L2-A6 PolarHBondContact O-N 3.35Å; L2-A6 VanDerWaalsContact O-N 3.07Å |
| 3 | V | 49.4 | Very low | 46.3 | Very low | 120 Ų | 120 | 111.2 Ų | 111.2 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.9 | -32.4 | 178 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | M1 F7 | M1-V3 PolarHBondContact O-N 3.34Å; V3-F7 PolarHBondContact O-N 3.16Å; V3-F7 VanDerWaalsContact O-N 3.13Å |
| 4 | V | 50.3 | Low | 45.6 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 56% | 0.558 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.1 | -37.7 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | M1 F7 L8 | M1-V4 PolarHBondContact O-N 3.21Å; V4-F7 PolarHBondContact O-N 3.04Å; V4-L8 HydrophobicContact CG1-CD1 4.03Å; V4-L8 WeakPolarHBondContact O-CB 3.46Å; V4-L8 WeakPolarHBondContact O-CD1 3.45Å; V4-L8 PolarHBondContact O-N 2.82Å |
| 5 | N | 50.1 | Low | 45 | Very low | 92 Ų | 92 | 110.2 Ų | 110.2 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.4 | -34.2 | 175 | -77.2 | -4.1 | 0 | 0 | 0 | 113 | M1 F7 L8 L9 | M1-N5 PolarHBondContact O-N 3.3Å; M1-N5 VanDerWaalsContact O-N 3.16Å; N5-F7 VanDerWaalsContact C-N 3.34Å; N5-L8 PolarHBondContact O-N 3.25Å; N5-L9 VanDerWaalsContact O-CB 3.32Å; N5-L9 WeakPolarHBondContact O-CB 3.35Å; N5-L9 PolarHBondContact O-N 2.96Å |
| 6 | A | 49.8 | Very low | 44.5 | Very low | 43 Ų | 43 | 108.8 Ų | 108.8 | 36% | 0.355 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.9 | -36.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2 L10 | L2-A6 WeakPolarHBondContact O-CB 3.46Å; L2-A6 PolarHBondContact O-N 3.35Å; L2-A6 VanDerWaalsContact O-N 3.07Å; A6-L10 WeakPolarHBondContact O-CB 3.2Å; A6-L10 PolarHBondContact O-N 3.4Å |
| 7 | F | 47.4 | Very low | 44.3 | Very low | 151 Ų | 151 | 109.1 Ų | 109.1 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.8 | -37.9 | 173.7 | -136.2 | -95.3 | 0 | 0 | 0 | 111.9 | V3 V4 N5 L11 | V3-F7 PolarHBondContact O-N 3.16Å; V3-F7 VanDerWaalsContact O-N 3.13Å; V4-F7 PolarHBondContact O-N 3.04Å; N5-F7 VanDerWaalsContact C-N 3.34Å; F7-L11 WeakPolarHBondContact O-CB 3.49Å; F7-L11 PolarHBondContact O-N 3.36Å |
| 8 | L | 48.9 | Very low | 44.5 | Very low | 83 Ų | 83 | 105.8 Ų | 105.8 | 44% | 0.435 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.9 | -35 | 173.9 | -83.8 | 155 | 0 | 0 | 0 | 113.1 | V4 N5 L11 N12 | V4-L8 HydrophobicContact CG1-CD1 4.03Å; V4-L8 WeakPolarHBondContact O-CB 3.46Å; V4-L8 WeakPolarHBondContact O-CD1 3.45Å; V4-L8 PolarHBondContact O-N 2.82Å; N5-L8 PolarHBondContact O-N 3.25Å; L8-L11 CarbonylContact O-C 3.52Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 3.05Å; L8-N12 VanDerWaalsContact O-CB 3.3Å; L8-N12 WeakPolarHBondContact O-CB 3.3Å; L8-N12 PolarHBondContact O-N 3.36Å; L8-N12 PolarHBondContact O-ND2 2.99Å; L8-N12 VanDerWaalsContact O-ND2 3.09Å |
| 9 | L | 48.1 | Very low | 45.4 | Very low | 113 Ų | 113 | 106.4 Ų | 106.4 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.3 | -37.4 | 174.2 | -88.4 | 153.9 | 0 | 0 | 0 | 112.1 | N5 L11 N12 V13 | N5-L9 VanDerWaalsContact O-CB 3.32Å; N5-L9 WeakPolarHBondContact O-CB 3.35Å; N5-L9 PolarHBondContact O-N 2.96Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-N12 PolarHBondContact O-N 3.28Å; L9-V13 WeakPolarHBondContact O-CB 3.25Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.3Å; L9-V13 PolarHBondContact O-N 3.37Å |
| 10 | L | 46.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 102.5 Ų | 102.5 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -37.7 | 167.8 | -93.2 | 149.9 | 0 | 0 | 0 | 111.4 | A6 N12 V14 | A6-L10 WeakPolarHBondContact O-CB 3.2Å; A6-L10 PolarHBondContact O-N 3.4Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-V14 VanDerWaalsContact O-CB 3.27Å; L10-V14 WeakPolarHBondContact O-CB 3.3Å; L10-V14 WeakPolarHBondContact O-CG2 3.38Å; L10-V14 PolarHBondContact O-N 3.17Å |
| 11 | L | 42.1 | Very low | 48.6 | Very low | 91 Ų | 91 | 100.5 Ų | 100.5 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.5 | -43.2 | 170.4 | -134.3 | 81.7 | 0 | 0 | 0 | 110.6 | F7 L8 L9 V14 L15 | F7-L11 WeakPolarHBondContact O-CB 3.49Å; F7-L11 PolarHBondContact O-N 3.36Å; L8-L11 CarbonylContact O-C 3.52Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 3.05Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-V14 CarbonylContact O-C 3.59Å; L11-V14 PolarHBondContact O-N 2.89Å; L11-L15 HydrophobicContact CB-CD1 4.42Å; L11-L15 HydrophobicContact CD2-CD1 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CD1 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.36Å |
| 12 | N | 39.4 | Very low | 50.7 | Low | 89 Ų | 89 | 92.4 Ų | 92.4 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.7 | -31 | -177.8 | -75.5 | -34.2 | 0 | 0 | 0 | 114 | L8 L9 L10 L15 A16 | L8-N12 VanDerWaalsContact O-CB 3.3Å; L8-N12 WeakPolarHBondContact O-CB 3.3Å; L8-N12 PolarHBondContact O-N 3.36Å; L8-N12 PolarHBondContact O-ND2 2.99Å; L8-N12 VanDerWaalsContact O-ND2 3.09Å; L9-N12 PolarHBondContact O-N 3.28Å; L10-N12 VanDerWaalsContact C-N 3.34Å; N12-L15 CarbonylContact O-C 3.58Å; N12-L15 PolarHBondContact O-N 2.95Å; N12-L15 WeakPolarHBondContact OD1-CD1 3.41Å; N12-A16 WeakPolarHBondContact O-CB 3.31Å; N12-A16 PolarHBondContact O-N 3.5Å |
| 13 | V | 40.7 | Very low | 53 | Low | 99 Ų | 99 | 85.3 Ų | 85.3 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.1 | -29.8 | 171 | 172.7 | 0 | 0 | 0 | 0 | 111 | L9 L15 | L9-V13 WeakPolarHBondContact O-CB 3.25Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.3Å; L9-V13 PolarHBondContact O-N 3.37Å; V13-L15 VanDerWaalsContact C-N 3.34Å |
| 14 | V | 37.4 | Very low | 55.1 | Low | 99 Ų | 99 | 79.6 Ų | 79.6 | 60% | 0.6 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.5 | -28.8 | 166.2 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L10 L11 | L10-V14 VanDerWaalsContact O-CB 3.27Å; L10-V14 WeakPolarHBondContact O-CB 3.3Å; L10-V14 WeakPolarHBondContact O-CG2 3.38Å; L10-V14 PolarHBondContact O-N 3.17Å; L11-V14 CarbonylContact O-C 3.59Å; L11-V14 PolarHBondContact O-N 2.89Å |
| 15 | L | 35.3 | Very low | 57.2 | Low | 109 Ų | 109 | 78.4 Ų | 78.4 | 57% | 0.571 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -83.6 | -21.8 | 177.6 | -71.7 | 156.7 | 0 | 0 | 0 | 113.9 | L11 N12 V13 L17 | L11-L15 HydrophobicContact CB-CD1 4.42Å; L11-L15 HydrophobicContact CD2-CD1 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CD1 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.36Å; N12-L15 CarbonylContact O-C 3.58Å; N12-L15 PolarHBondContact O-N 2.95Å; N12-L15 WeakPolarHBondContact OD1-CD1 3.41Å; V13-L15 VanDerWaalsContact C-N 3.34Å; L15-L17 VanDerWaalsContact C-N 3.32Å |
| 16 | A | 37.5 | Very low | 59.3 | Low | 88 Ų | 88 | 74.3 Ų | 74.3 | 73% | 0.727 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -79.2 | -13.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N12 G18 | N12-A16 WeakPolarHBondContact O-CB 3.31Å; N12-A16 PolarHBondContact O-N 3.5Å; A16-G18 VanDerWaalsContact C-N 3.28Å; A16-G18 PolarHBondContact O-N 3.04Å |
| 17 | L | 40.6 | Very low | 61.1 | Low | 114 Ų | 114 | 75.4 Ų | 75.4 | 60% | 0.597 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -82 | 80.1 | 156.7 | -71.3 | 168.8 | 0 | 0 | 0 | 107.2 | L15 T19 | L15-L17 VanDerWaalsContact C-N 3.32Å; L17-T19 PolarHBondContact O-N 3Å |
| 18 | G | 48.7 | Very low | 63.2 | Low | 50 Ų | 50 | 68.2 Ų | 68.2 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | trans | -43.5 | 119.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | A16 A20 | A16-G18 VanDerWaalsContact C-N 3.28Å; A16-G18 PolarHBondContact O-N 3.04Å; G18-A20 PolarHBondContact O-N 3.3Å | ||
| 19 | T | 60.6 | Low | 64.8 | Low | 117 Ų | 117 | 68.1 Ų | 68.1 | 72% | 0.718 | 39% | 0.394 | S | S | * | . | trans | -56.5 | 111.7 | -173.9 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | L17 N21 | L17-T19 PolarHBondContact O-N 3Å; T19-N21 PolarHBondContact O-N 2.98Å | ||
| 20 | A | 74.2 | Confident | 66.6 | Low | 28 Ų | 28 | 65.9 Ų | 65.9 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | trans | -61.4 | 124.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G18 V22 N290 Y293 | G18-A20 PolarHBondContact O-N 3.3Å; A20-V22 PolarHBondContact O-N 2.87Å; A20-N290 HydrophobicContact CB-CB 3.54Å; A20-Y293 HydrophobicContact CB-CD2 3.8Å; A20-Y293 HydrophobicContact CB-CG 3.85Å | ||
| 21 | N | 85.3 | Confident | 68.4 | Low | 61 Ų | 61 | 62.2 Ų | 62.2 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | trans | -80 | 113.8 | 168.4 | -62 | -59.3 | 0 | 0 | 0 | 107.2 | T19 Y23 T288 D289 | T19-N21 PolarHBondContact O-N 2.98Å; N21-Y23 HydrophobicContact CB-CE1 3.84Å; N21-T288 VanDerWaalsContact O-CA 3.25Å; N21-T288 WeakPolarHBondContact O-CA 3.05Å; N21-T288 WeakPolarHBondContact O-CB 3.48Å; N21-T288 PolarHBondContact O-OG1 3.05Å; N21-D289 WeakPolarHBondContact CB-OD2 3.33Å; N21-D289 PolarHBondContact N-OD1 3.43Å; N21-D289 PolarHBondContact ND2-OD2 3.19Å; N21-D289 PolarHBondContact O-N 2.94Å; N21-D289 VanDerWaalsContact O-N 3.14Å | ||
| 22 | V | 89.2 | Confident | 70.6 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 108.3 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | A20 E25 L286 Y293 | A20-V22 PolarHBondContact O-N 2.87Å; V22-E25 HydrophobicContact CG1-CB 4.04Å; V22-L286 HydrophobicContact CG1-CD1 3.77Å; V22-Y293 HydrophobicContact CG2-CD1 3.95Å; V22-Y293 HydrophobicContact CG2-CD2 4.43Å; V22-Y293 HydrophobicContact CG2-CE1 3.53Å; V22-Y293 HydrophobicContact CG2-CE2 4.04Å; V22-Y293 HydrophobicContact CG2-CG 4.4Å |
| 23 | Y | 91.3 | Very high | 72.9 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -33 | -177.1 | -54.7 | -63.1 | 0 | 0 | 0 | 111.8 | N21 F82 D83 I84 P86 L89 V287 D289 | N21-Y23 HydrophobicContact CB-CE1 3.84Å; Y23-F82 CarbonylContact O-C 3.57Å; Y23-F82 WeakPolarHBondContact O-CA 3.09Å; Y23-F82 WeakPolarHBondContact O-CB 3.19Å; Y23-D83 PolarHBondContact O-N 2.87Å; Y23-I84 HydrophobicContact CD1-CB 4.43Å; Y23-I84 HydrophobicContact CD1-CG2 4.49Å; Y23-I84 WeakPolarHBondContact CD1-O 3.43Å; Y23-I84 PolarHBondContact O-N 2.91Å; Y23-P86 HydrophobicContact CD1-CB 4.13Å; Y23-P86 HydrophobicContact CE1-CB 3.61Å; Y23-P86 HydrophobicContact CE1-CG 4.42Å; Y23-L89 HydrophobicContact CE2-CD2 3.54Å; Y23-L89 WeakPolarHBondContact OH-CD2 3.3Å; Y23-V287 HydrophobicContact CD2-CG1 4.17Å; Y23-V287 PolarHBondContact N-O 3.34Å; Y23-D289 HydrophobicContact CE2-CB 4Å |
| 24 | L | 94.2 | Very high | 75.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 133.7 | 175 | 179.8 | 144.4 | 0 | 0 | 0 | 109.5 | E26 R80 F82 V269 I285 L286 V287 | L24-E26 HydrophobicContact CD2-CB 4.39Å; L24-R80 HydrophobicContact CD1-CB 4.38Å; L24-R80 HydrophobicContact CD1-CG 3.84Å; L24-F82 HydrophobicContact CB-CD1 4.06Å; L24-F82 HydrophobicContact CD1-CD1 4.07Å; L24-V269 HydrophobicContact CD1-CG2 4.22Å; L24-V269 HydrophobicContact CD2-CG2 4.44Å; L24-I285 HydrophobicContact CD2-CB 4.24Å; L24-I285 HydrophobicContact CD2-CG2 3.69Å; L24-L286 CarbonylContact O-C 3.5Å; L24-L286 WeakPolarHBondContact O-CA 3.4Å; L24-V287 HydrophobicContact CB-CB 4.31Å; L24-V287 HydrophobicContact CB-CG2 4.36Å; L24-V287 PolarHBondContact N-O 2.95Å; L24-V287 PolarHBondContact O-N 2.77Å |
| 25 | E | 94.3 | Very high | 78 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.9 | 167.4 | -173.2 | 178.3 | 141.4 | 0 | 0 | 108.6 | V22 R80 I285 L286 Y293 F297 | V22-E25 HydrophobicContact CG1-CB 4.04Å; E25-R80 PolarHBondContact O-NH1 3.19Å; E25-I285 CarbonylContact C-O 3.55Å; E25-I285 WeakPolarHBondContact CA-O 3.37Å; E25-L286 HydrophobicContact CB-CD1 4.45Å; E25-Y293 PolarHBondContact OE2-OH 3.44Å; E25-F297 HydrophobicContact CG-CE2 3.77Å; E25-F297 HydrophobicContact CG-CZ 4.04Å; E25-F297 WeakPolarHBondContact OE1-CE2 3.4Å |
| 26 | E | 93.2 | Very high | 80.7 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.028 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 129.7 | 176.6 | -175.9 | 63.1 | -98.1 | 0 | 0 | 110.7 | L24 F28 R37 W38 R80 N284 I285 | L24-E26 HydrophobicContact CD2-CB 4.39Å; E26-F28 HydrophobicContact CB-CE2 4.48Å; E26-F28 HydrophobicContact CG-CD1 3.93Å; E26-F28 HydrophobicContact CG-CD2 3.79Å; E26-F28 HydrophobicContact CG-CE1 3.61Å; E26-F28 HydrophobicContact CG-CE2 3.48Å; E26-F28 VanDerWaalsContact CG-CE2 3.48Å; E26-F28 HydrophobicContact CG-CG 4.01Å; E26-F28 HydrophobicContact CG-CZ 3.38Å; E26-F28 PolarHBondContact OE1-N 3.23Å; E26-R37 IonicContact OE1-CZ 3.46Å; E26-R37 IonicContact OE1-NH2 3.83Å; E26-R37 PolarHBondContact OE1-NH2 2.91Å; E26-R37 IonicContact OE2-CZ 2.69Å; E26-R37 IonicContact OE2-NE 2.8Å; E26-R37 PolarHBondContact OE2-NE 2.99Å; E26-R37 IonicContact OE2-NH2 2.67Å; E26-R37 PolarHBondContact OE2-NH2 3.14Å; E26-W38 HydrophobicContact CB-CZ2 4.34Å; E26-W38 HydrophobicContact CG-CZ2 4.04Å; E26-W38 PolarHBondContact OE2-NE1 3.11Å; E26-R80 IonicContact OE2-CZ 3.92Å; E26-R80 IonicContact OE2-NH1 3.97Å; E26-R80 PolarHBondContact OE2-NH1 2.05Å; E26-N284 CarbonylContact O-C 3.54Å; E26-N284 WeakPolarHBondContact O-CA 3.26Å; E26-N284 PolarHBondContact O-N 3.04Å; E26-I285 HydrophobicContact CB-CB 4.25Å; E26-I285 PolarHBondContact N-O 2.84Å; E26-I285 PolarHBondContact O-N 2.84Å |
| 27 | R | 89.3 | Confident | 83.4 | Confident | 66 Ų | 66 | 57 Ų | 57 | 25% | 0.249 | 32% | 0.319 | C | S | . | . | trans | -126.9 | -6 | -177.3 | -64.2 | 178.7 | 66 | -134.3 | -10.8 | 113 | D29 D283 F297 | R27-D29 HydrophobicContact CB-CB 4.48Å; R27-D29 IonicContact CZ-OD2 3.23Å; R27-D29 IonicContact NE-OD2 2.91Å; R27-D29 IonicContact NH1-OD2 2.78Å; R27-D29 PolarHBondContact NH1-OD2 3.03Å; R27-D29 IonicContact NH2-OD2 3.35Å; R27-D29 PolarHBondContact NH2-OD2 3.22Å; R27-D29 PolarHBondContact O-N 3.46Å; R27-D283 WeakPolarHBondContact CA-OD1 3.37Å; R27-D283 VanDerWaalsContact O-OD1 3.09Å; R27-F297 HydrophobicContact CG-CE2 4.31Å; R27-F297 HydrophobicContact CG-CZ 4.06Å | ||
| 28 | F | 89.7 | Confident | 86 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | 50.5 | 22 | 179.5 | -57 | -75.8 | 0 | 0 | 0 | 114.8 | E26 D30 W34 W38 V52 V65 L67 I285 | E26-F28 HydrophobicContact CB-CE2 4.48Å; E26-F28 HydrophobicContact CG-CD1 3.93Å; E26-F28 HydrophobicContact CG-CD2 3.79Å; E26-F28 HydrophobicContact CG-CE1 3.61Å; E26-F28 HydrophobicContact CG-CE2 3.48Å; E26-F28 VanDerWaalsContact CG-CE2 3.48Å; E26-F28 HydrophobicContact CG-CG 4.01Å; E26-F28 HydrophobicContact CG-CZ 3.38Å; E26-F28 PolarHBondContact OE1-N 3.23Å; F28-D30 VanDerWaalsContact C-N 3.27Å; F28-D30 PolarHBondContact O-N 2.98Å; F28-W34 HydrophobicContact CD1-CB 3.73Å; F28-W34 HydrophobicContact CD1-CG 4.14Å; F28-W34 HydrophobicContact CE1-CB 4.01Å; F28-W34 HydrophobicContact CE1-CG 4.43Å; F28-W38 AromaticContact CE1-CE2 3.96Å; F28-W38 HydrophobicContact CE1-CZ2 4.41Å; F28-W38 AromaticContact CE1-NE1 3.61Å; F28-W38 AromaticContact CZ-CE2 3.81Å; F28-W38 AromaticContact CZ-CZ2 3.79Å; F28-W38 HydrophobicContact CZ-CZ2 3.79Å; F28-W38 AromaticContact CZ-NE1 3.87Å; F28-V52 HydrophobicContact CB-CG2 4.38Å; F28-V52 WeakPolarHBondContact O-CG1 3.4Å; F28-V65 WeakPolarHBondContact O-CG1 3.08Å; F28-L67 HydrophobicContact CD1-CB 4.07Å; F28-L67 HydrophobicContact CD1-CD1 4.27Å; F28-L67 HydrophobicContact CD2-CB 4.19Å; F28-L67 HydrophobicContact CE1-CB 3.78Å; F28-L67 HydrophobicContact CE1-CD1 4.06Å; F28-L67 HydrophobicContact CE1-CD2 3.95Å; F28-L67 HydrophobicContact CE1-CG 4.14Å; F28-L67 HydrophobicContact CE2-CB 3.88Å; F28-L67 HydrophobicContact CG-CB 4.27Å; F28-L67 HydrophobicContact CZ-CB 3.66Å; F28-L67 HydrophobicContact CZ-CD2 3.95Å; F28-L67 HydrophobicContact CZ-CG 4.3Å; F28-I285 HydrophobicContact CE2-CD1 4.04Å; F28-I285 HydrophobicContact CE2-CG1 4.5Å; F28-I285 HydrophobicContact CZ-CD1 4.24Å | ||
| 29 | D | 84.5 | Confident | 88.3 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5.8 | -176.5 | 59.8 | -9.5 | 0 | 0 | 0 | 112.6 | R27 | R27-D29 HydrophobicContact CB-CB 4.48Å; R27-D29 IonicContact CZ-OD2 3.23Å; R27-D29 IonicContact NE-OD2 2.91Å; R27-D29 IonicContact NH1-OD2 2.78Å; R27-D29 PolarHBondContact NH1-OD2 3.03Å; R27-D29 IonicContact NH2-OD2 3.35Å; R27-D29 PolarHBondContact NH2-OD2 3.22Å; R27-D29 PolarHBondContact O-N 3.46Å |
| 30 | D | 84.9 | Confident | 90 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 22.4 | -178.1 | 70.2 | -23.4 | 0 | 0 | 0 | 113.7 | F28 D32 G33 W34 R37 | F28-D30 VanDerWaalsContact C-N 3.27Å; F28-D30 PolarHBondContact O-N 2.98Å; D30-D32 PolarHBondContact O-N 2.9Å; D30-G33 PolarHBondContact O-N 3.43Å; D30-G33 VanDerWaalsContact O-N 3.13Å; D30-G33 VanDerWaalsContact OD2-CA 3.29Å; D30-G33 WeakPolarHBondContact OD2-CA 3.47Å; D30-W34 PolarHBondContact OD1-N 3.3Å; D30-R37 VanDerWaalsContact CG-NH2 3.33Å; D30-R37 IonicContact OD1-NH2 3.25Å; D30-R37 PolarHBondContact OD1-NH2 2.78Å; D30-R37 VanDerWaalsContact OD1-NH2 3.11Å; D30-R37 IonicContact OD2-CZ 2.84Å; D30-R37 VanDerWaalsContact OD2-CZ 3.23Å; D30-R37 IonicContact OD2-NH1 2.78Å; D30-R37 PolarHBondContact OD2-NH1 3.49Å; D30-R37 IonicContact OD2-NH2 3.27Å; D30-R37 PolarHBondContact OD2-NH2 3.37Å |
| 31 | G | 83.8 | Confident | 91 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | 63.6 | -117.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G33 W34 V52 | G31-G33 VanDerWaalsContact C-N 3.3Å; G31-G33 PolarHBondContact O-N 3.08Å; G31-W34 VanDerWaalsContact O-CD1 3.24Å; G31-V52 WeakPolarHBondContact O-CG2 3.49Å |
| 32 | D | 88 | Confident | 91.5 | Very high | 102 Ų | 102 | 53.6 Ų | 53.6 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -83.3 | -0.5 | 179.2 | -95.7 | -12.9 | 0 | 0 | 0 | 114.3 | D30 W34 K35 | D30-D32 PolarHBondContact O-N 2.9Å; D32-W34 PolarHBondContact O-N 2.86Å; D32-K35 HydrophobicContact CB-CD 4.29Å; D32-K35 WeakPolarHBondContact O-CB 3.46Å; D32-K35 PolarHBondContact O-N 3.13Å; D32-K35 VanDerWaalsContact O-N 3.08Å; D32-K35 WeakPolarHBondContact OD1-CE 3.42Å; D32-K35 IonicContact OD1-NZ 2.72Å; D32-K35 PolarHBondContact OD1-NZ 2.9Å; D32-K35 IonicContact OD2-NZ 3.49Å; D32-K35 PolarHBondContact OD2-NZ 3.33Å |
| 33 | G | 88.5 | Confident | 91.8 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -60.3 | -28.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D30 G31 K35 N36 R37 | D30-G33 PolarHBondContact O-N 3.43Å; D30-G33 VanDerWaalsContact O-N 3.13Å; D30-G33 VanDerWaalsContact OD2-CA 3.29Å; D30-G33 WeakPolarHBondContact OD2-CA 3.47Å; G31-G33 VanDerWaalsContact C-N 3.3Å; G31-G33 PolarHBondContact O-N 3.08Å; G33-K35 PolarHBondContact O-N 3.2Å; G33-K35 VanDerWaalsContact O-N 3.15Å; G33-N36 WeakPolarHBondContact O-CB 3.28Å; G33-N36 PolarHBondContact O-N 3.44Å; G33-N36 VanDerWaalsContact O-N 3.07Å; G33-R37 PolarHBondContact O-NH1 3.08Å |
| 34 | W | 92.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -54.5 | -31.2 | 173.4 | 76.9 | -80.6 | 0 | 0 | 0 | 113.6 | F28 D30 G31 D32 N36 R37 W38 F50 V52 L67 V78 | F28-W34 HydrophobicContact CD1-CB 3.73Å; F28-W34 HydrophobicContact CD1-CG 4.14Å; F28-W34 HydrophobicContact CE1-CB 4.01Å; F28-W34 HydrophobicContact CE1-CG 4.43Å; D30-W34 PolarHBondContact OD1-N 3.3Å; G31-W34 VanDerWaalsContact O-CD1 3.24Å; D32-W34 PolarHBondContact O-N 2.86Å; W34-N36 PolarHBondContact O-N 2.92Å; W34-N36 VanDerWaalsContact O-N 3.12Å; W34-R37 PolarHBondContact O-N 3.41Å; W34-W38 HydrophobicContact CE3-CB 3.61Å; W34-W38 AromaticContact CE3-CG 3.99Å; W34-W38 HydrophobicContact CE3-CG 3.99Å; W34-W38 HydrophobicContact CZ3-CB 3.93Å; W34-W38 PolarHBondContact O-N 3.34Å; W34-F50 HydrophobicContact CH2-CB 3.92Å; W34-F50 HydrophobicContact CZ2-CB 4.41Å; W34-V52 HydrophobicContact CG-CG2 4.07Å; W34-L67 HydrophobicContact CD2-CD1 3.75Å; W34-L67 HydrophobicContact CE3-CD1 3.71Å; W34-L67 HydrophobicContact CE3-CD2 4.4Å; W34-L67 HydrophobicContact CG-CD1 4.48Å; W34-L67 HydrophobicContact CH2-CD1 3.9Å; W34-L67 HydrophobicContact CZ2-CD1 3.87Å; W34-L67 HydrophobicContact CZ3-CD1 3.83Å; W34-L67 HydrophobicContact CZ3-CD2 4.33Å; W34-V78 HydrophobicContact CZ3-CG2 4.21Å |
| 35 | K | 92.9 | Very high | 91.8 | Very high | 113 Ų | 113 | 66 Ų | 66 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -62.1 | -19.7 | 179.6 | -66.3 | 174.9 | 177.4 | 163.1 | 0 | 113 | D32 G33 | D32-K35 HydrophobicContact CB-CD 4.29Å; D32-K35 WeakPolarHBondContact O-CB 3.46Å; D32-K35 PolarHBondContact O-N 3.13Å; D32-K35 VanDerWaalsContact O-N 3.08Å; D32-K35 WeakPolarHBondContact OD1-CE 3.42Å; D32-K35 IonicContact OD1-NZ 2.72Å; D32-K35 PolarHBondContact OD1-NZ 2.9Å; D32-K35 IonicContact OD2-NZ 3.49Å; D32-K35 PolarHBondContact OD2-NZ 3.33Å; G33-K35 PolarHBondContact O-N 3.2Å; G33-K35 VanDerWaalsContact O-N 3.15Å |
| 36 | N | 92.5 | Very high | 91.8 | Very high | 150 Ų | 150 | 65.7 Ų | 65.7 | 80% | 0.802 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -82.9 | -20.2 | 175.5 | -61.9 | -36.3 | 0 | 0 | 0 | 112.9 | G33 W34 | G33-N36 WeakPolarHBondContact O-CB 3.28Å; G33-N36 PolarHBondContact O-N 3.44Å; G33-N36 VanDerWaalsContact O-N 3.07Å; W34-N36 PolarHBondContact O-N 2.92Å; W34-N36 VanDerWaalsContact O-N 3.12Å |
| 37 | R | 93.7 | Very high | 91.9 | Very high | 77 Ų | 77 | 66.4 Ų | 66.4 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -34.1 | -175.1 | -58.4 | -174 | -66.3 | -82.4 | 4.5 | 112.8 | E26 D30 G33 W34 R80 | E26-R37 IonicContact OE1-CZ 3.46Å; E26-R37 IonicContact OE1-NH2 3.83Å; E26-R37 PolarHBondContact OE1-NH2 2.91Å; E26-R37 IonicContact OE2-CZ 2.69Å; E26-R37 IonicContact OE2-NE 2.8Å; E26-R37 PolarHBondContact OE2-NE 2.99Å; E26-R37 IonicContact OE2-NH2 2.67Å; E26-R37 PolarHBondContact OE2-NH2 3.14Å; D30-R37 VanDerWaalsContact CG-NH2 3.33Å; D30-R37 IonicContact OD1-NH2 3.25Å; D30-R37 PolarHBondContact OD1-NH2 2.78Å; D30-R37 VanDerWaalsContact OD1-NH2 3.11Å; D30-R37 IonicContact OD2-CZ 2.84Å; D30-R37 VanDerWaalsContact OD2-CZ 3.23Å; D30-R37 IonicContact OD2-NH1 2.78Å; D30-R37 PolarHBondContact OD2-NH1 3.49Å; D30-R37 IonicContact OD2-NH2 3.27Å; D30-R37 PolarHBondContact OD2-NH2 3.37Å; G33-R37 PolarHBondContact O-NH1 3.08Å; W34-R37 PolarHBondContact O-N 3.41Å; R37-R80 HydrophobicContact CB-CG 4.48Å; R37-R80 WeakPolarHBondContact O-CG 3.49Å |
| 38 | W | 96 | Very high | 92.1 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | trans | -100.7 | 135.1 | -178.5 | -70.4 | 81.8 | 0 | 0 | 0 | 111 | E26 F28 W34 V78 R80 V269 I271 I285 | E26-W38 HydrophobicContact CB-CZ2 4.34Å; E26-W38 HydrophobicContact CG-CZ2 4.04Å; E26-W38 PolarHBondContact OE2-NE1 3.11Å; F28-W38 AromaticContact CE1-CE2 3.96Å; F28-W38 HydrophobicContact CE1-CZ2 4.41Å; F28-W38 AromaticContact CE1-NE1 3.61Å; F28-W38 AromaticContact CZ-CE2 3.81Å; F28-W38 AromaticContact CZ-CZ2 3.79Å; F28-W38 HydrophobicContact CZ-CZ2 3.79Å; F28-W38 AromaticContact CZ-NE1 3.87Å; W34-W38 HydrophobicContact CE3-CB 3.61Å; W34-W38 AromaticContact CE3-CG 3.99Å; W34-W38 HydrophobicContact CE3-CG 3.99Å; W34-W38 HydrophobicContact CZ3-CB 3.93Å; W34-W38 PolarHBondContact O-N 3.34Å; W38-V78 HydrophobicContact CB-CG2 3.83Å; W38-V78 HydrophobicContact CD2-CG2 4.49Å; W38-V78 HydrophobicContact CE3-CB 4.4Å; W38-V78 HydrophobicContact CE3-CG1 3.9Å; W38-V78 HydrophobicContact CE3-CG2 3.87Å; W38-V78 HydrophobicContact CZ3-CG1 4.16Å; W38-R80 HydrophobicContact CD2-CB 3.55Å; W38-R80 HydrophobicContact CD2-CG 4.49Å; W38-R80 HydrophobicContact CE3-CB 3.75Å; W38-R80 HydrophobicContact CG-CB 3.98Å; W38-R80 HydrophobicContact CH2-CB 4.26Å; W38-R80 HydrophobicContact CZ2-CB 4.07Å; W38-R80 HydrophobicContact CZ3-CB 4.12Å; W38-V269 HydrophobicContact CH2-CG1 4.4Å; W38-I271 HydrophobicContact CH2-CD1 4.39Å; W38-I271 HydrophobicContact CZ3-CD1 4.29Å; W38-I271 HydrophobicContact CZ3-CG1 4.41Å; W38-I285 HydrophobicContact CH2-CD1 3.69Å; W38-I285 HydrophobicContact CZ2-CD1 3.86Å | ||
| 39 | V | 96.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.6 | 179.2 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | V78 S79 Q121 T122 | V39-V78 WeakPolarHBondContact O-CA 3.31Å; V39-V78 WeakPolarHBondContact O-CG2 3.33Å; V39-S79 PolarHBondContact N-O 2.94Å; V39-S79 PolarHBondContact O-N 3.05Å; V39-Q121 HydrophobicContact CB-CB 3.8Å; V39-Q121 HydrophobicContact CG1-CB 3.83Å; V39-Q121 HydrophobicContact CG2-CB 4.22Å; V39-T122 HydrophobicContact CG1-CG2 3.93Å |
| 40 | Q | 95.1 | Very high | 92.7 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.9 | 170.5 | -170.7 | 168.7 | -9.2 | 0 | 0 | 109.7 | G48 | Q40-G48 PolarHBondContact NE2-O 3.47Å |
| 41 | S | 96.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | trans | -67.1 | 145.9 | -178.4 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | H43 Y47 A77 F124 | S41-H43 WeakPolarHBondContact OG-CB 3.39Å; S41-H43 PolarHBondContact OG-N 3.1Å; S41-Y47 WeakPolarHBondContact O-CD2 3.38Å; S41-A77 PolarHBondContact N-O 2.9Å; S41-F124 WeakPolarHBondContact CB-O 3.33Å; S41-F124 PolarHBondContact OG-N 2.63Å; S41-F124 PolarHBondContact OG-O 3.46Å | ||
| 42 | K | 95.6 | Very high | 93.5 | Very high | 172 Ų | 172 | 63 Ų | 63 | 75% | 0.748 | 32% | 0.322 | S | S | * | . | trans | -110.5 | 7.5 | 174.2 | -59.2 | -177 | -179.6 | -179.8 | 0 | 112.1 | R44 T122 | K42-R44 PolarHBondContact O-N 3.41Å; K42-R44 VanDerWaalsContact O-N 3.14Å; K42-T122 WeakPolarHBondContact CA-O 3.48Å; K42-T122 WeakPolarHBondContact CB-O 3.3Å; K42-T122 PolarHBondContact N-O 2.77Å | ||
| 43 | H | 95.7 | Very high | 93.6 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -53.7 | -33.5 | 178.3 | -176.9 | 75.5 | 0 | 0 | 0 | 112.3 | S41 Y47 T122 D123 H125 | S41-H43 WeakPolarHBondContact OG-CB 3.39Å; S41-H43 PolarHBondContact OG-N 3.1Å; H43-Y47 HydrophobicContact CB-CE2 3.97Å; H43-T122 PolarHBondContact N-O 2.81Å; H43-D123 IonicContact CE1-OD1 3.82Å; H43-D123 IonicContact CG-OD1 2.84Å; H43-D123 IonicContact ND1-OD1 2.96Å; H43-D123 PolarHBondContact ND1-OD1 2.74Å; H43-H125 HydrophobicContact CB-CB 4.1Å; H43-H125 VanDerWaalsContact CD2-CB 3.4Å; H43-H125 WeakPolarHBondContact CD2-CB 3.31Å; H43-H125 AromaticContact CD2-CG 3.61Å; H43-H125 AromaticContact CE1-CD2 3.57Å; H43-H125 AromaticContact CE1-CE1 3.75Å; H43-H125 AromaticContact CE1-CG 3.71Å; H43-H125 AromaticContact CE1-ND1 3.83Å; H43-H125 AromaticContact CE1-NE2 3.67Å; H43-H125 AromaticContact CG-CD2 3.87Å; H43-H125 AromaticContact CG-CG 3.82Å; H43-H125 AromaticContact ND1-CD2 3.54Å; H43-H125 AromaticContact ND1-CG 3.87Å; H43-H125 AromaticContact NE2-CD2 3.91Å; H43-H125 AromaticContact NE2-CE1 3.88Å; H43-H125 AromaticContact NE2-CG 3.55Å; H43-H125 AromaticContact NE2-ND1 3.55Å |
| 44 | R | 93.1 | Very high | 93.4 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | trans | -131.2 | 142.4 | 174.6 | -70.3 | 174.4 | 59.8 | 157.9 | 0.9 | 111 | K42 D46 Y47 F75 | K42-R44 PolarHBondContact O-N 3.41Å; K42-R44 VanDerWaalsContact O-N 3.14Å; R44-D46 VanDerWaalsContact C-N 3.3Å; R44-D46 WeakPolarHBondContact CB-OD1 3.36Å; R44-D46 IonicContact CZ-OD1 3.78Å; R44-D46 IonicContact CZ-OD2 3.9Å; R44-D46 IonicContact NE-OD1 2.98Å; R44-D46 PolarHBondContact NE-OD1 3.29Å; R44-D46 IonicContact NE-OD2 3.83Å; R44-D46 VanDerWaalsContact NH2-CG 3.33Å; R44-D46 IonicContact NH2-OD1 3.51Å; R44-D46 PolarHBondContact NH2-OD1 3.14Å; R44-D46 VanDerWaalsContact NH2-OD1 3.1Å; R44-D46 IonicContact NH2-OD2 3.19Å; R44-D46 PolarHBondContact NH2-OD2 2.69Å; R44-Y47 HydrophobicContact CB-CD1 4.29Å; R44-Y47 HydrophobicContact CB-CD2 4.05Å; R44-Y47 HydrophobicContact CB-CE1 4.19Å; R44-Y47 HydrophobicContact CB-CE2 3.96Å; R44-Y47 HydrophobicContact CB-CG 4.23Å; R44-Y47 HydrophobicContact CG-CE1 4.5Å; R44-Y47 WeakPolarHBondContact O-CD2 3.05Å; R44-F75 VanDerWaalsContact NH1-CD2 3.27Å; R44-F75 VanDerWaalsContact NH1-CE2 3.29Å | ||
| 45 | S | 92.6 | Very high | 93 | Very high | 132 Ų | 132 | 60.7 Ų | 60.7 | 92% | 0.923 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -20 | 176.8 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 46 | D | 93.3 | Very high | 92.6 | Very high | 60 Ų | 60 | 64 Ų | 64 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 10.4 | -174.4 | 74.9 | -38.8 | 0 | 0 | 0 | 113.9 | R44 K74 | R44-D46 VanDerWaalsContact C-N 3.3Å; R44-D46 WeakPolarHBondContact CB-OD1 3.36Å; R44-D46 IonicContact CZ-OD1 3.78Å; R44-D46 IonicContact CZ-OD2 3.9Å; R44-D46 IonicContact NE-OD1 2.98Å; R44-D46 PolarHBondContact NE-OD1 3.29Å; R44-D46 IonicContact NE-OD2 3.83Å; R44-D46 VanDerWaalsContact NH2-CG 3.33Å; R44-D46 IonicContact NH2-OD1 3.51Å; R44-D46 PolarHBondContact NH2-OD1 3.14Å; R44-D46 VanDerWaalsContact NH2-OD1 3.1Å; R44-D46 IonicContact NH2-OD2 3.19Å; R44-D46 PolarHBondContact NH2-OD2 2.69Å; D46-K74 VanDerWaalsContact O-CD 3.27Å; D46-K74 WeakPolarHBondContact O-CD 3.29Å; D46-K74 WeakPolarHBondContact O-CE 3.06Å; D46-K74 PolarHBondContact O-NZ 2.85Å |
| 47 | Y | 95.1 | Very high | 91.9 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 146.2 | 175.6 | -79 | -40.5 | 0 | 0 | 0 | 112.5 | S41 H43 R44 F75 A77 H125 | S41-Y47 WeakPolarHBondContact O-CD2 3.38Å; H43-Y47 HydrophobicContact CB-CE2 3.97Å; R44-Y47 HydrophobicContact CB-CD1 4.29Å; R44-Y47 HydrophobicContact CB-CD2 4.05Å; R44-Y47 HydrophobicContact CB-CE1 4.19Å; R44-Y47 HydrophobicContact CB-CE2 3.96Å; R44-Y47 HydrophobicContact CB-CG 4.23Å; R44-Y47 HydrophobicContact CG-CE1 4.5Å; R44-Y47 WeakPolarHBondContact O-CD2 3.05Å; Y47-F75 CarbonylContact C-O 3.3Å; Y47-F75 WeakPolarHBondContact CA-O 3.31Å; Y47-F75 HydrophobicContact CD1-CB 3.55Å; Y47-F75 WeakPolarHBondContact CD1-O 3.49Å; Y47-F75 HydrophobicContact CE1-CB 3.51Å; Y47-A77 HydrophobicContact CD2-CB 4.4Å; Y47-A77 HydrophobicContact CE1-CB 4.06Å; Y47-A77 HydrophobicContact CE2-CB 3.87Å; Y47-H125 WeakPolarHBondContact OH-CB 3.28Å |
| 48 | G | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 160.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q40 Q71 F75 Y76 | Q40-G48 PolarHBondContact NE2-O 3.47Å; G48-Q71 VanDerWaalsContact CA-OE1 3.26Å; G48-F75 PolarHBondContact N-O 2.92Å; G48-Y76 VanDerWaalsContact CA-CE1 3.46Å |
| 49 | V | 94 | Very high | 89.5 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 132.2 | -177.7 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | I51 T70 Y76 | V49-I51 HydrophobicContact CG1-CG2 4.46Å; V49-T70 WeakPolarHBondContact O-CG2 3.4Å; V49-T70 PolarHBondContact O-N 3.23Å; V49-T70 PolarHBondContact O-OG1 2.99Å; V49-Y76 WeakPolarHBondContact O-CE1 3.46Å |
| 50 | F | 94.4 | Very high | 88.1 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.3 | 168.6 | -69.7 | -82.8 | 0 | 0 | 0 | 110.9 | W34 L67 Q68 T69 Y76 V78 I271 | W34-F50 HydrophobicContact CH2-CB 3.92Å; W34-F50 HydrophobicContact CZ2-CB 4.41Å; F50-L67 HydrophobicContact CB-CD1 3.76Å; F50-L67 HydrophobicContact CB-CD2 4.26Å; F50-L67 HydrophobicContact CB-CG 3.89Å; F50-L67 HydrophobicContact CD1-CD2 3.85Å; F50-L67 HydrophobicContact CD1-CG 3.7Å; F50-L67 HydrophobicContact CE1-CD2 4.25Å; F50-L67 HydrophobicContact CE1-CG 4.45Å; F50-L67 HydrophobicContact CG-CD1 4.42Å; F50-L67 HydrophobicContact CG-CD2 4.05Å; F50-L67 HydrophobicContact CG-CG 4.03Å; F50-Q68 WeakPolarHBondContact CA-O 3.47Å; F50-T69 HydrophobicContact CD1-CG2 4.17Å; F50-T69 HydrophobicContact CE1-CG2 3.74Å; F50-Y76 HydrophobicContact CD1-CD1 4.26Å; F50-Y76 HydrophobicContact CD2-CD1 4.09Å; F50-Y76 HydrophobicContact CE1-CD1 4.02Å; F50-Y76 HydrophobicContact CE1-CG 4.46Å; F50-Y76 AromaticContact CE2-CD1 3.83Å; F50-Y76 HydrophobicContact CE2-CD1 3.83Å; F50-Y76 HydrophobicContact CE2-CG 4.37Å; F50-Y76 HydrophobicContact CG-CD1 4.33Å; F50-Y76 AromaticContact CZ-CD1 3.83Å; F50-Y76 HydrophobicContact CZ-CD1 3.83Å; F50-Y76 HydrophobicContact CZ-CG 4.11Å; F50-V78 HydrophobicContact CD2-CB 4.09Å; F50-V78 HydrophobicContact CD2-CG1 4.1Å; F50-V78 HydrophobicContact CE1-CG1 4.45Å; F50-V78 HydrophobicContact CE2-CB 3.68Å; F50-V78 HydrophobicContact CE2-CG1 3.55Å; F50-V78 HydrophobicContact CZ-CB 4.34Å; F50-V78 HydrophobicContact CZ-CG1 3.7Å; F50-I271 HydrophobicContact CZ-CG2 4.3Å |
| 51 | I | 93.4 | Very high | 86.7 | Confident | 75 Ų | 75 | 67 Ų | 67 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 160.3 | 169.2 | 67.7 | 176.6 | 0 | 0 | 0 | 109.4 | V49 L67 Q68 T70 | V49-I51 HydrophobicContact CG1-CG2 4.46Å; I51-L67 CarbonylContact O-C 3.54Å; I51-Q68 HydrophobicContact CG1-CB 4.21Å; I51-Q68 PolarHBondContact N-O 2.58Å; I51-Q68 PolarHBondContact O-N 3.47Å; I51-T70 HydrophobicContact CB-CG2 4.07Å; I51-T70 HydrophobicContact CD1-CG2 3.54Å; I51-T70 HydrophobicContact CG1-CG2 3.43Å; I51-T70 VanDerWaalsContact CG1-CG2 3.43Å; I51-T70 HydrophobicContact CG2-CG2 3.69Å |
| 52 | V | 91.8 | Very high | 85.2 | Confident | 36 Ų | 36 | 74.3 Ų | 74.3 | 22% | 0.218 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.6 | 170.2 | 170.5 | 0 | 0 | 0 | 0 | 108.4 | F28 G31 W34 V65 G66 L67 | F28-V52 HydrophobicContact CB-CG2 4.38Å; F28-V52 WeakPolarHBondContact O-CG1 3.4Å; G31-V52 WeakPolarHBondContact O-CG2 3.49Å; W34-V52 HydrophobicContact CG-CG2 4.07Å; V52-V65 HydrophobicContact CB-CG1 4.48Å; V52-V65 HydrophobicContact CG1-CG1 3.07Å; V52-G66 CarbonylContact C-O 3.55Å; V52-G66 WeakPolarHBondContact CA-O 3.45Å; V52-L67 HydrophobicContact CG2-CD1 4.28Å |
| 53 | S | 89.3 | Confident | 83.8 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 146.3 | -172.4 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | G55 G66 Q68 | S53-G55 VanDerWaalsContact C-N 3.32Å; S53-G55 PolarHBondContact OG-N 3.39Å; S53-G66 PolarHBondContact N-O 3.33Å; S53-G66 PolarHBondContact O-N 3.06Å; S53-Q68 PolarHBondContact OG-OE1 3.14Å |
| 54 | H | 83.4 | Confident | 82.5 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | trans | -86.6 | -4.9 | 168.9 | 51.5 | 64.8 | 0 | 0 | 0 | 112.9 | Y58 G64 V65 K100 | H54-Y58 HydrophobicContact CB-CD1 4.12Å; H54-Y58 HydrophobicContact CB-CG 4.13Å; H54-Y58 AromaticContact CE1-CD1 3.72Å; H54-Y58 AromaticContact CE1-CE1 3.32Å; H54-Y58 WeakPolarHBondContact CE1-CE1 3.34Å; H54-Y58 AromaticContact CG-CD1 3.69Å; H54-Y58 AromaticContact CG-CE1 3.99Å; H54-Y58 AromaticContact ND1-CD1 3.07Å; H54-Y58 WeakPolarHBondContact ND1-CD1 3.42Å; H54-Y58 AromaticContact ND1-CE1 3.21Å; H54-Y58 WeakPolarHBondContact ND1-CE1 3.5Å; H54-Y58 AromaticContact ND1-CG 3.92Å; H54-G64 WeakPolarHBondContact CA-O 3.35Å; H54-V65 HydrophobicContact CB-CG2 4.29Å; H54-K100 PolarHBondContact O-NZ 2.85Å | ||
| 55 | G | 84.8 | Confident | 82 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | trans | 71.5 | -179.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S53 F57 E102 | S53-G55 VanDerWaalsContact C-N 3.32Å; S53-G55 PolarHBondContact OG-N 3.39Å; G55-F57 VanDerWaalsContact C-N 3.25Å; G55-F57 PolarHBondContact O-N 3.31Å; G55-E102 WeakPolarHBondContact CA-OE2 3.34Å | ||
| 56 | K | 83.3 | Confident | 82 | Confident | 181 Ų | 181 | 55.8 Ų | 55.8 | 79% | 0.787 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -65.1 | -17.8 | -176.5 | -75.1 | 166.5 | -156.1 | 175.7 | 0 | 116.3 | E102 | K56-E102 WeakPolarHBondContact CB-OE1 3.3Å; K56-E102 WeakPolarHBondContact CD-OE1 3.36Å; K56-E102 VanDerWaalsContact CE-OE1 3.28Å; K56-E102 WeakPolarHBondContact CE-OE1 3.48Å; K56-E102 WeakPolarHBondContact CG-OE1 3.19Å; K56-E102 PolarHBondContact N-OE1 3.3Å; K56-E102 PolarHBondContact N-OE2 3.26Å |
| 57 | F | 79 | Confident | 82 | Confident | 79 Ų | 79 | 53 Ų | 53 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -143.5 | 137.1 | 179.1 | 58.7 | -85.7 | 0 | 0 | 0 | 108.7 | G55 K100 E102 R168 | G55-F57 VanDerWaalsContact C-N 3.25Å; G55-F57 PolarHBondContact O-N 3.31Å; F57-K100 VanDerWaalsContact CE2-CE 3.41Å; F57-K100 VanDerWaalsContact CZ-CE 3.46Å; F57-K100 PolarHBondContact O-NZ 2.82Å; F57-E102 HydrophobicContact CD1-CG 4.34Å; F57-E102 HydrophobicContact CE1-CG 3.74Å; F57-E102 HydrophobicContact CZ-CG 4.49Å; F57-R168 WeakPolarHBondContact CE2-O 3.42Å; F57-R168 HydrophobicContact CZ-CB 3.95Å; F57-R168 WeakPolarHBondContact CZ-O 3.44Å |
| 58 | Y | 72.7 | Confident | 82 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | trans | -151.9 | 157.5 | -173.5 | 47.3 | -89.5 | 0 | 0 | 0 | 109.7 | H54 E61 | H54-Y58 HydrophobicContact CB-CD1 4.12Å; H54-Y58 HydrophobicContact CB-CG 4.13Å; H54-Y58 AromaticContact CE1-CD1 3.72Å; H54-Y58 AromaticContact CE1-CE1 3.32Å; H54-Y58 WeakPolarHBondContact CE1-CE1 3.34Å; H54-Y58 AromaticContact CG-CD1 3.69Å; H54-Y58 AromaticContact CG-CE1 3.99Å; H54-Y58 AromaticContact ND1-CD1 3.07Å; H54-Y58 WeakPolarHBondContact ND1-CD1 3.42Å; H54-Y58 AromaticContact ND1-CE1 3.21Å; H54-Y58 WeakPolarHBondContact ND1-CE1 3.5Å; H54-Y58 AromaticContact ND1-CG 3.92Å; Y58-E61 HydrophobicContact CD2-CB 4.05Å; Y58-E61 HydrophobicContact CE2-CB 3.47Å; Y58-E61 VanDerWaalsContact CE2-CB 3.47Å; Y58-E61 HydrophobicContact CE2-CG 3.83Å; Y58-E61 PolarHBondContact OH-OE2 3.2Å | ||
| 59 | G | 66.5 | Low | 82.1 | Confident | 68 Ų | 68 | 53 Ų | 53 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -77.9 | -42.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 60 | D | 67.1 | Low | 82.1 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | trans | -144.6 | 131.4 | -179.7 | -175.2 | -63.1 | 0 | 0 | 0 | 109.4 | Q62 V63 G64 Y305 | D60-Q62 VanDerWaalsContact C-N 3.31Å; D60-Q62 PolarHBondContact O-N 3.22Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.05Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.27Å; D60-Q62 PolarHBondContact OD1-N 3.31Å; D60-V63 HydrophobicContact CB-CB 4.37Å; D60-V63 PolarHBondContact OD1-N 2.88Å; D60-G64 PolarHBondContact O-N 3.22Å; D60-Y305 HydrophobicContact CB-CD1 3.55Å; D60-Y305 HydrophobicContact CB-CE1 3.7Å | ||
| 61 | E | 65.1 | Low | 82 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.4 | -174.1 | -159 | 171.3 | 147.7 | 0 | 0 | 113.2 | Y58 V65 | Y58-E61 HydrophobicContact CD2-CB 4.05Å; Y58-E61 HydrophobicContact CE2-CB 3.47Å; Y58-E61 VanDerWaalsContact CE2-CB 3.47Å; Y58-E61 HydrophobicContact CE2-CG 3.83Å; Y58-E61 PolarHBondContact OH-OE2 3.2Å; E61-V65 WeakPolarHBondContact O-CG2 3.42Å |
| 62 | Q | 64.9 | Low | 82 | Confident | 161 Ų | 161 | 57 Ų | 57 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -27.2 | -176.3 | -62.6 | -175.5 | -5.8 | 0 | 0 | 112.1 | D60 | D60-Q62 VanDerWaalsContact C-N 3.31Å; D60-Q62 PolarHBondContact O-N 3.22Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.05Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.27Å; D60-Q62 PolarHBondContact OD1-N 3.31Å |
| 63 | V | 66 | Low | 81.9 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -24 | -173 | -171.6 | 0 | 0 | 0 | 0 | 113.5 | D60 V65 Y305 | D60-V63 HydrophobicContact CB-CB 4.37Å; D60-V63 PolarHBondContact OD1-N 2.88Å; V63-V65 PolarHBondContact O-N 2.72Å; V63-Y305 HydrophobicContact CB-CE1 4.01Å; V63-Y305 HydrophobicContact CB-CE2 4.06Å; V63-Y305 HydrophobicContact CG1-CD2 3.93Å; V63-Y305 HydrophobicContact CG1-CE1 4.34Å; V63-Y305 HydrophobicContact CG1-CE2 3.47Å; V63-Y305 VanDerWaalsContact CG1-CE2 3.47Å; V63-Y305 HydrophobicContact CG2-CE1 4.04Å; V63-Y305 HydrophobicContact CG2-CE2 4.34Å; V63-Y305 WeakPolarHBondContact CG2-OH 3.32Å |
| 64 | G | 68.3 | Low | 82.1 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -86 | 24.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H54 D60 | H54-G64 WeakPolarHBondContact CA-O 3.35Å; D60-G64 PolarHBondContact O-N 3.22Å |
| 65 | V | 83.7 | Confident | 82.6 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | trans | -90.4 | 129.4 | -172.1 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | F28 V52 H54 E61 V63 D283 | F28-V65 WeakPolarHBondContact O-CG1 3.08Å; V52-V65 HydrophobicContact CB-CG1 4.48Å; V52-V65 HydrophobicContact CG1-CG1 3.07Å; H54-V65 HydrophobicContact CB-CG2 4.29Å; E61-V65 WeakPolarHBondContact O-CG2 3.42Å; V63-V65 PolarHBondContact O-N 2.72Å; V65-D283 VanDerWaalsContact O-CG 3.24Å | ||
| 66 | G | 91.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V52 S53 Q68 F282 | V52-G66 CarbonylContact C-O 3.55Å; V52-G66 WeakPolarHBondContact CA-O 3.45Å; S53-G66 PolarHBondContact N-O 3.33Å; S53-G66 PolarHBondContact O-N 3.06Å; G66-Q68 PolarHBondContact O-N 3.06Å; G66-F282 CarbonylContact C-O 3.52Å; G66-F282 WeakPolarHBondContact CA-O 3.37Å |
| 67 | L | 94.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 106.3 | 179.9 | -163.1 | 69.9 | 0 | 0 | 0 | 110.7 | F28 W34 F50 I51 V52 V78 I281 F282 | F28-L67 HydrophobicContact CD1-CB 4.07Å; F28-L67 HydrophobicContact CD1-CD1 4.27Å; F28-L67 HydrophobicContact CD2-CB 4.19Å; F28-L67 HydrophobicContact CE1-CB 3.78Å; F28-L67 HydrophobicContact CE1-CD1 4.06Å; F28-L67 HydrophobicContact CE1-CD2 3.95Å; F28-L67 HydrophobicContact CE1-CG 4.14Å; F28-L67 HydrophobicContact CE2-CB 3.88Å; F28-L67 HydrophobicContact CG-CB 4.27Å; F28-L67 HydrophobicContact CZ-CB 3.66Å; F28-L67 HydrophobicContact CZ-CD2 3.95Å; F28-L67 HydrophobicContact CZ-CG 4.3Å; W34-L67 HydrophobicContact CD2-CD1 3.75Å; W34-L67 HydrophobicContact CE3-CD1 3.71Å; W34-L67 HydrophobicContact CE3-CD2 4.4Å; W34-L67 HydrophobicContact CG-CD1 4.48Å; W34-L67 HydrophobicContact CH2-CD1 3.9Å; W34-L67 HydrophobicContact CZ2-CD1 3.87Å; W34-L67 HydrophobicContact CZ3-CD1 3.83Å; W34-L67 HydrophobicContact CZ3-CD2 4.33Å; F50-L67 HydrophobicContact CB-CD1 3.76Å; F50-L67 HydrophobicContact CB-CD2 4.26Å; F50-L67 HydrophobicContact CB-CG 3.89Å; F50-L67 HydrophobicContact CD1-CD2 3.85Å; F50-L67 HydrophobicContact CD1-CG 3.7Å; F50-L67 HydrophobicContact CE1-CD2 4.25Å; F50-L67 HydrophobicContact CE1-CG 4.45Å; F50-L67 HydrophobicContact CG-CD1 4.42Å; F50-L67 HydrophobicContact CG-CD2 4.05Å; F50-L67 HydrophobicContact CG-CG 4.03Å; I51-L67 CarbonylContact O-C 3.54Å; V52-L67 HydrophobicContact CG2-CD1 4.28Å; L67-V78 HydrophobicContact CD2-CG1 4.04Å; L67-I281 WeakPolarHBondContact O-CA 3.4Å; L67-F282 PolarHBondContact N-O 3.45Å; L67-F282 PolarHBondContact O-N 3.18Å |
| 68 | Q | 94.7 | Very high | 84.6 | Confident | 19 Ų | 19 | 48 Ų | 48 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 137.2 | -174.9 | -178.8 | 166.1 | 48.2 | 0 | 0 | 113.1 | F50 I51 S53 G66 E102 G279 T280 I281 | F50-Q68 WeakPolarHBondContact CA-O 3.47Å; I51-Q68 HydrophobicContact CG1-CB 4.21Å; I51-Q68 PolarHBondContact N-O 2.58Å; I51-Q68 PolarHBondContact O-N 3.47Å; S53-Q68 PolarHBondContact OG-OE1 3.14Å; G66-Q68 PolarHBondContact O-N 3.06Å; Q68-E102 PolarHBondContact NE2-OE2 2.93Å; Q68-G279 PolarHBondContact NE2-O 3Å; Q68-T280 WeakPolarHBondContact CA-O 3.09Å; Q68-I281 HydrophobicContact CB-CD1 4.38Å; Q68-I281 HydrophobicContact CB-CG1 3.91Å; Q68-I281 HydrophobicContact CB-CG2 4.47Å; Q68-I281 HydrophobicContact CG-CD1 4.36Å; Q68-I281 HydrophobicContact CG-CG1 3.88Å |
| 69 | T | 94.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 137.3 | 166.7 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | F50 Y76 Q275 G279 T280 | F50-T69 HydrophobicContact CD1-CG2 4.17Å; F50-T69 HydrophobicContact CE1-CG2 3.74Å; T69-Y76 HydrophobicContact CG2-CD1 3.72Å; T69-Y76 HydrophobicContact CG2-CD2 3.85Å; T69-Y76 HydrophobicContact CG2-CE1 3.89Å; T69-Y76 HydrophobicContact CG2-CE2 4.03Å; T69-Y76 HydrophobicContact CG2-CG 3.7Å; T69-Q275 HydrophobicContact CG2-CG 4.1Å; T69-G279 PolarHBondContact O-N 2.99Å; T69-G279 VanDerWaalsContact O-N 3.09Å; T69-G279 PolarHBondContact OG1-N 2.83Å; T69-G279 VanDerWaalsContact OG1-N 3.11Å; T69-T280 PolarHBondContact N-O 2.79Å; T69-T280 PolarHBondContact OG1-N 2.84Å; T69-T280 VanDerWaalsContact OG1-N 3.11Å; T69-T280 PolarHBondContact OG1-O 2.74Å |
| 70 | T | 93.8 | Very high | 87.2 | Confident | 56 Ų | 56 | 40.5 Ų | 40.5 | 34% | 0.344 | 22% | 0.216 | S | C | . | . | trans | -115.3 | -18.5 | -167.1 | 57.1 | 0 | 0 | 0 | 0 | 117.7 | V49 I51 Y76 A278 | V49-T70 WeakPolarHBondContact O-CG2 3.4Å; V49-T70 PolarHBondContact O-N 3.23Å; V49-T70 PolarHBondContact O-OG1 2.99Å; I51-T70 HydrophobicContact CB-CG2 4.07Å; I51-T70 HydrophobicContact CD1-CG2 3.54Å; I51-T70 HydrophobicContact CG1-CG2 3.43Å; I51-T70 VanDerWaalsContact CG1-CG2 3.43Å; I51-T70 HydrophobicContact CG2-CG2 3.69Å; T70-Y76 PolarHBondContact N-OH 3.47Å; T70-A278 VanDerWaalsContact C-CB 3.44Å | ||
| 71 | Q | 93.7 | Very high | 88.5 | Confident | 76 Ų | 76 | 42 Ų | 42 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -129.2 | 129.2 | -166.7 | -65 | 163.7 | -68.4 | 0 | 0 | 110.7 | G48 K74 Y76 A278 | G48-Q71 VanDerWaalsContact CA-OE1 3.26Å; Q71-K74 HydrophobicContact CB-CB 4.49Å; Q71-K74 HydrophobicContact CB-CG 3.73Å; Q71-Y76 WeakPolarHBondContact CA-OH 3.38Å; Q71-Y76 WeakPolarHBondContact CB-OH 3.48Å; Q71-Y76 PolarHBondContact N-OH 3.45Å; Q71-Y76 PolarHBondContact O-OH 3.02Å; Q71-A278 VanDerWaalsContact C-CB 3.44Å; Q71-A278 WeakPolarHBondContact O-CB 3.32Å |
| 72 | N | 92.2 | Very high | 89.9 | Confident | 99 Ų | 99 | 37.3 Ų | 37.3 | 53% | 0.529 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 152.5 | 180 | -62.3 | -20.8 | 0 | 0 | 0 | 111.8 | K74 V276 K277 A278 | N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 3.25Å; N72-V276 WeakPolarHBondContact CA-O 3.15Å; N72-V276 WeakPolarHBondContact CB-O 3.5Å; N72-K277 WeakPolarHBondContact OD1-CA 3.29Å; N72-A278 PolarHBondContact OD1-N 2.93Å |
| 73 | S | 90.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 34.4 Ų | 34.4 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 44 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | W274 Q275 V276 | S73-W274 VanDerWaalsContact C-CZ3 3.43Å; S73-W274 VanDerWaalsContact O-CH2 3.3Å; S73-W274 WeakPolarHBondContact O-CH2 3.36Å; S73-W274 WeakPolarHBondContact O-CZ3 3.5Å; S73-Q275 VanDerWaalsContact CA-O 3.31Å; S73-Q275 WeakPolarHBondContact CA-O 3.16Å; S73-Q275 PolarHBondContact N-O 3.04Å; S73-V276 PolarHBondContact N-O 2.85Å |
| 74 | K | 93.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.4 | 179.7 | -70 | -56.5 | -162.5 | 165.3 | 0 | 110.9 | D46 Q71 N72 Y76 W274 Q275 | D46-K74 VanDerWaalsContact O-CD 3.27Å; D46-K74 WeakPolarHBondContact O-CD 3.29Å; D46-K74 WeakPolarHBondContact O-CE 3.06Å; D46-K74 PolarHBondContact O-NZ 2.85Å; Q71-K74 HydrophobicContact CB-CB 4.49Å; Q71-K74 HydrophobicContact CB-CG 3.73Å; N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 3.25Å; K74-Y76 HydrophobicContact CB-CD2 4.35Å; K74-Y76 HydrophobicContact CB-CE2 3.69Å; K74-Y76 WeakPolarHBondContact O-CD2 3.48Å; K74-W274 VanDerWaalsContact C-CZ3 3.41Å; K74-Q275 PolarHBondContact N-O 2.75Å; K74-Q275 PolarHBondContact O-N 2.8Å; K74-Q275 VanDerWaalsContact O-N 3.14Å |
| 75 | F | 93.7 | Very high | 92.5 | Very high | 61 Ų | 61 | 40 Ų | 40 | 27% | 0.268 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 147.7 | 160.6 | -69.4 | -85 | 0 | 0 | 0 | 109.1 | R44 Y47 G48 W274 | R44-F75 VanDerWaalsContact NH1-CD2 3.27Å; R44-F75 VanDerWaalsContact NH1-CE2 3.29Å; Y47-F75 CarbonylContact C-O 3.3Å; Y47-F75 WeakPolarHBondContact CA-O 3.31Å; Y47-F75 HydrophobicContact CD1-CB 3.55Å; Y47-F75 WeakPolarHBondContact CD1-O 3.49Å; Y47-F75 HydrophobicContact CE1-CB 3.51Å; G48-F75 PolarHBondContact N-O 2.92Å; F75-W274 HydrophobicContact CB-CE3 4.44Å; F75-W274 HydrophobicContact CD1-CB 4.14Å; F75-W274 AromaticContact CD1-CE3 3.8Å; F75-W274 HydrophobicContact CD1-CE3 3.8Å; F75-W274 AromaticContact CD2-CE3 3.52Å; F75-W274 HydrophobicContact CD2-CE3 3.52Å; F75-W274 AromaticContact CD2-CZ3 3.56Å; F75-W274 HydrophobicContact CD2-CZ3 3.56Å; F75-W274 HydrophobicContact CE1-CB 4Å; F75-W274 HydrophobicContact CE1-CD2 4.28Å; F75-W274 AromaticContact CE1-CE3 3.79Å; F75-W274 HydrophobicContact CE1-CE3 3.79Å; F75-W274 HydrophobicContact CE1-CG 4.4Å; F75-W274 HydrophobicContact CE2-CD2 4.47Å; F75-W274 AromaticContact CE2-CE3 3.5Å; F75-W274 HydrophobicContact CE2-CE3 3.5Å; F75-W274 VanDerWaalsContact CE2-CE3 3.5Å; F75-W274 AromaticContact CE2-CZ3 3.53Å; F75-W274 HydrophobicContact CE2-CZ3 3.53Å; F75-W274 AromaticContact CG-CE3 3.66Å; F75-W274 HydrophobicContact CG-CE3 3.66Å; F75-W274 HydrophobicContact CG-CZ3 4.15Å; F75-W274 HydrophobicContact CZ-CD2 4.23Å; F75-W274 AromaticContact CZ-CE3 3.64Å; F75-W274 HydrophobicContact CZ-CE3 3.64Å; F75-W274 HydrophobicContact CZ-CZ3 4.1Å |
| 76 | Y | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.8 | 179.4 | -76.3 | -88.2 | 0 | 0 | 0 | 108.3 | G48 V49 F50 T69 T70 Q71 K74 D272 V273 Q275 | G48-Y76 VanDerWaalsContact CA-CE1 3.46Å; V49-Y76 WeakPolarHBondContact O-CE1 3.46Å; F50-Y76 HydrophobicContact CD1-CD1 4.26Å; F50-Y76 HydrophobicContact CD2-CD1 4.09Å; F50-Y76 HydrophobicContact CE1-CD1 4.02Å; F50-Y76 HydrophobicContact CE1-CG 4.46Å; F50-Y76 AromaticContact CE2-CD1 3.83Å; F50-Y76 HydrophobicContact CE2-CD1 3.83Å; F50-Y76 HydrophobicContact CE2-CG 4.37Å; F50-Y76 HydrophobicContact CG-CD1 4.33Å; F50-Y76 AromaticContact CZ-CD1 3.83Å; F50-Y76 HydrophobicContact CZ-CD1 3.83Å; F50-Y76 HydrophobicContact CZ-CG 4.11Å; T69-Y76 HydrophobicContact CG2-CD1 3.72Å; T69-Y76 HydrophobicContact CG2-CD2 3.85Å; T69-Y76 HydrophobicContact CG2-CE1 3.89Å; T69-Y76 HydrophobicContact CG2-CE2 4.03Å; T69-Y76 HydrophobicContact CG2-CG 3.7Å; T70-Y76 PolarHBondContact N-OH 3.47Å; Q71-Y76 WeakPolarHBondContact CA-OH 3.38Å; Q71-Y76 WeakPolarHBondContact CB-OH 3.48Å; Q71-Y76 PolarHBondContact N-OH 3.45Å; Q71-Y76 PolarHBondContact O-OH 3.02Å; K74-Y76 HydrophobicContact CB-CD2 4.35Å; K74-Y76 HydrophobicContact CB-CE2 3.69Å; K74-Y76 WeakPolarHBondContact O-CD2 3.48Å; Y76-D272 CarbonylContact O-C 3.59Å; Y76-D272 WeakPolarHBondContact O-CA 3.3Å; Y76-V273 PolarHBondContact N-O 2.9Å; Y76-V273 PolarHBondContact O-N 2.74Å; Y76-Q275 HydrophobicContact CD2-CB 4.32Å; Y76-Q275 HydrophobicContact CD2-CG 3.94Å; Y76-Q275 HydrophobicContact CE2-CB 4.09Å; Y76-Q275 HydrophobicContact CE2-CG 4.04Å |
| 77 | A | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 117.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S41 Y47 F124 I271 | S41-A77 PolarHBondContact N-O 2.9Å; Y47-A77 HydrophobicContact CD2-CB 4.4Å; Y47-A77 HydrophobicContact CE1-CB 4.06Å; Y47-A77 HydrophobicContact CE2-CB 3.87Å; A77-F124 HydrophobicContact CB-CD1 4.3Å; A77-I271 CarbonylContact C-O 3.56Å; A77-I271 VanDerWaalsContact CA-O 3.27Å; A77-I271 WeakPolarHBondContact CA-O 3.27Å |
| 78 | V | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.9 | 176.9 | 70.5 | 0 | 0 | 0 | 0 | 109.6 | W34 W38 V39 F50 L67 G270 I271 | W34-V78 HydrophobicContact CZ3-CG2 4.21Å; W38-V78 HydrophobicContact CB-CG2 3.83Å; W38-V78 HydrophobicContact CD2-CG2 4.49Å; W38-V78 HydrophobicContact CE3-CB 4.4Å; W38-V78 HydrophobicContact CE3-CG1 3.9Å; W38-V78 HydrophobicContact CE3-CG2 3.87Å; W38-V78 HydrophobicContact CZ3-CG1 4.16Å; V39-V78 WeakPolarHBondContact O-CA 3.31Å; V39-V78 WeakPolarHBondContact O-CG2 3.33Å; F50-V78 HydrophobicContact CD2-CB 4.09Å; F50-V78 HydrophobicContact CD2-CG1 4.1Å; F50-V78 HydrophobicContact CE1-CG1 4.45Å; F50-V78 HydrophobicContact CE2-CB 3.68Å; F50-V78 HydrophobicContact CE2-CG1 3.55Å; F50-V78 HydrophobicContact CZ-CB 4.34Å; F50-V78 HydrophobicContact CZ-CG1 3.7Å; L67-V78 HydrophobicContact CD2-CG1 4.04Å; V78-G270 CarbonylContact O-C 3.39Å; V78-G270 WeakPolarHBondContact O-CA 3.39Å; V78-I271 HydrophobicContact CG1-CB 4Å; V78-I271 HydrophobicContact CG1-CD1 4.36Å; V78-I271 HydrophobicContact CG1-CG1 4.49Å; V78-I271 PolarHBondContact N-O 2.74Å; V78-I271 PolarHBondContact O-N 2.88Å |
| 79 | S | 97.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155.1 | 178.4 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | V39 Q121 V269 | V39-S79 PolarHBondContact N-O 2.94Å; V39-S79 PolarHBondContact O-N 3.05Å; S79-Q121 PolarHBondContact O-NE2 2.99Å; S79-Q121 VanDerWaalsContact OG-CB 3.29Å; S79-Q121 WeakPolarHBondContact OG-CB 3.07Å; S79-Q121 VanDerWaalsContact OG-CG 3.3Å; S79-Q121 WeakPolarHBondContact OG-CG 3.39Å; S79-V269 CarbonylContact C-O 3.49Å; S79-V269 VanDerWaalsContact CA-O 3.23Å; S79-V269 WeakPolarHBondContact CA-O 3.35Å; S79-V269 WeakPolarHBondContact CB-O 3.32Å |
| 80 | R | 95.9 | Very high | 85.8 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.038 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.4 | 176.7 | 171.3 | 171.6 | 176.2 | -155.4 | -8.2 | 109.5 | L24 E25 E26 R37 W38 D83 A268 V269 | L24-R80 HydrophobicContact CD1-CB 4.38Å; L24-R80 HydrophobicContact CD1-CG 3.84Å; E25-R80 PolarHBondContact O-NH1 3.19Å; E26-R80 IonicContact OE2-CZ 3.92Å; E26-R80 IonicContact OE2-NH1 3.97Å; E26-R80 PolarHBondContact OE2-NH1 2.05Å; R37-R80 HydrophobicContact CB-CG 4.48Å; R37-R80 WeakPolarHBondContact O-CG 3.49Å; W38-R80 HydrophobicContact CD2-CB 3.55Å; W38-R80 HydrophobicContact CD2-CG 4.49Å; W38-R80 HydrophobicContact CE3-CB 3.75Å; W38-R80 HydrophobicContact CG-CB 3.98Å; W38-R80 HydrophobicContact CH2-CB 4.26Å; W38-R80 HydrophobicContact CZ2-CB 4.07Å; W38-R80 HydrophobicContact CZ3-CB 4.12Å; R80-D83 IonicContact CZ-OD1 3.98Å; R80-D83 IonicContact CZ-OD2 3.33Å; R80-D83 IonicContact NE-OD1 3.32Å; R80-D83 IonicContact NH2-OD1 2.97Å; R80-D83 PolarHBondContact NH2-OD1 2.88Å; R80-D83 IonicContact NH2-OD2 3.83Å; R80-D83 PolarHBondContact NH2-OD2 3.3Å; R80-A268 CarbonylContact O-C 3.42Å; R80-A268 WeakPolarHBondContact O-CA 3.41Å; R80-A268 VanDerWaalsContact O-CB 3.31Å; R80-A268 WeakPolarHBondContact O-CB 3.45Å; R80-V269 PolarHBondContact N-O 3.34Å; R80-V269 PolarHBondContact O-N 2.91Å |
| 81 | K | 95.1 | Very high | 84.7 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 151.6 | 170.5 | -75.4 | -179.1 | -179.4 | -172.5 | 0 | 110.6 | M85 G117 G267 A268 | K81-M85 HydrophobicContact CB-CE 4.46Å; K81-G117 WeakPolarHBondContact CE-O 3.37Å; K81-G267 CarbonylContact C-O 3.54Å; K81-G267 WeakPolarHBondContact CA-O 3.49Å; K81-A268 HydrophobicContact CG-CB 4.24Å |
| 82 | F | 93.5 | Very high | 84.2 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | trans | -63 | 147.1 | 173.9 | -66.3 | -1.2 | 0 | 0 | 0 | 110.2 | Y23 L24 I84 I114 I266 G267 V269 V287 | Y23-F82 CarbonylContact O-C 3.57Å; Y23-F82 WeakPolarHBondContact O-CA 3.09Å; Y23-F82 WeakPolarHBondContact O-CB 3.19Å; L24-F82 HydrophobicContact CB-CD1 4.06Å; L24-F82 HydrophobicContact CD1-CD1 4.07Å; F82-I84 VanDerWaalsContact C-N 3.3Å; F82-I84 WeakPolarHBondContact CB-O 3.27Å; F82-I114 HydrophobicContact CZ-CG2 4.38Å; F82-I266 HydrophobicContact CE2-CB 4.28Å; F82-I266 HydrophobicContact CE2-CD1 4.07Å; F82-I266 HydrophobicContact CE2-CG1 3.91Å; F82-G267 PolarHBondContact N-O 3.45Å; F82-V269 HydrophobicContact CD1-CG2 4.43Å; F82-V269 HydrophobicContact CE1-CG2 3.62Å; F82-V269 HydrophobicContact CZ-CG2 4.49Å; F82-V287 HydrophobicContact CE1-CG2 4.22Å; F82-V287 HydrophobicContact CE2-CG1 4.17Å; F82-V287 HydrophobicContact CZ-CB 4.39Å; F82-V287 HydrophobicContact CZ-CG1 3.93Å; F82-V287 HydrophobicContact CZ-CG2 4.28Å | ||
| 83 | D | 89.5 | Confident | 84.1 | Confident | 100 Ų | 100 | 44.4 Ų | 44.4 | 54% | 0.535 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -70.5 | -34.7 | 175.6 | -57.9 | -41.4 | 0 | 0 | 0 | 110.2 | Y23 R80 | Y23-D83 PolarHBondContact O-N 2.87Å; R80-D83 IonicContact CZ-OD1 3.98Å; R80-D83 IonicContact CZ-OD2 3.33Å; R80-D83 IonicContact NE-OD1 3.32Å; R80-D83 IonicContact NH2-OD1 2.97Å; R80-D83 PolarHBondContact NH2-OD1 2.88Å; R80-D83 IonicContact NH2-OD2 3.83Å; R80-D83 PolarHBondContact NH2-OD2 3.3Å |
| 84 | I | 83.5 | Confident | 84.3 | Confident | 90 Ų | 90 | 41 Ų | 41 | 46% | 0.462 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -125.9 | 123.4 | 176.4 | -56.1 | 175.2 | 0 | 0 | 0 | 108.4 | Y23 F82 | Y23-I84 HydrophobicContact CD1-CB 4.43Å; Y23-I84 HydrophobicContact CD1-CG2 4.49Å; Y23-I84 WeakPolarHBondContact CD1-O 3.43Å; Y23-I84 PolarHBondContact O-N 2.91Å; F82-I84 VanDerWaalsContact C-N 3.3Å; F82-I84 WeakPolarHBondContact CB-O 3.27Å |
| 85 | M | 80.7 | Confident | 84.4 | Confident | 87 Ų | 87 | 38.5 Ų | 38.5 | 43% | 0.429 | 21% | 0.213 | S | C | . | . | trans | -77.9 | 128.4 | 173.7 | -68.8 | -69.9 | 174.2 | 0 | 0 | 109.4 | K81 D87 G267 | K81-M85 HydrophobicContact CB-CE 4.46Å; M85-D87 PolarHBondContact O-N 3.44Å; M85-G267 WeakPolarHBondContact CE-O 3.46Å; M85-G267 VanDerWaalsContact SD-CA 3.51Å | ||
| 86 | P | 73.4 | Confident | 84.6 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | trans | -72.6 | 115.9 | 177 | 25.5 | -30 | 0 | 0 | 0 | 110.8 | Y23 S88 L89 I266 | Y23-P86 HydrophobicContact CD1-CB 4.13Å; Y23-P86 HydrophobicContact CE1-CB 3.61Å; Y23-P86 HydrophobicContact CE1-CG 4.42Å; P86-S88 VanDerWaalsContact C-N 3.29Å; P86-L89 HydrophobicContact CB-CD2 3.94Å; P86-L89 HydrophobicContact CG-CD2 4.47Å; P86-I266 HydrophobicContact CG-CD1 4.14Å; P86-I266 HydrophobicContact CG-CG1 3.64Å | ||
| 87 | D | 65 | Low | 84.6 | Confident | 154 Ų | 154 | 35.7 Ų | 35.7 | 82% | 0.824 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -66 | -37.7 | 170.6 | -67.5 | -30.6 | 0 | 0 | 0 | 111.2 | M85 | M85-D87 PolarHBondContact O-N 3.44Š|
| 88 | S | 62.2 | Low | 84.5 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -155.9 | 149.2 | 166.5 | 66.6 | 0 | 0 | 0 | 0 | 108.1 | P86 S90 | P86-S88 VanDerWaalsContact C-N 3.29Å; S88-S90 PolarHBondContact O-N 2.98Å; S88-S90 VanDerWaalsContact O-N 3.09Å |
| 89 | L | 61.6 | Low | 84.3 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | trans | -78.5 | 94.8 | 167.2 | -66.5 | -176.1 | 0 | 0 | 0 | 107.7 | Y23 P86 G91 L93 Q179 Y263 I266 | Y23-L89 HydrophobicContact CE2-CD2 3.54Å; Y23-L89 WeakPolarHBondContact OH-CD2 3.3Å; P86-L89 HydrophobicContact CB-CD2 3.94Å; P86-L89 HydrophobicContact CG-CD2 4.47Å; L89-G91 PolarHBondContact O-N 2.89Å; L89-L93 HydrophobicContact CD1-CB 3.75Å; L89-L93 HydrophobicContact CD1-CD1 4.08Å; L89-L93 HydrophobicContact CD1-CD2 4.42Å; L89-L93 HydrophobicContact CD1-CG 4.29Å; L89-L93 HydrophobicContact CD2-CD1 4.48Å; L89-Q179 PolarHBondContact O-NE2 2.98Å; L89-Y263 HydrophobicContact CD1-CD1 3.15Å; L89-Y263 HydrophobicContact CD1-CD2 3.94Å; L89-Y263 HydrophobicContact CD1-CE1 3.63Å; L89-Y263 HydrophobicContact CD1-CE2 4.3Å; L89-Y263 HydrophobicContact CD1-CG 3.34Å; L89-Y263 HydrophobicContact CG-CD1 4.26Å; L89-Y263 HydrophobicContact CG-CG 4.08Å; L89-I266 HydrophobicContact CD1-CD1 4.25Å; L89-I266 HydrophobicContact CD2-CD1 4.39Å | ||
| 90 | S | 57.6 | Low | 84 | Confident | 76 Ų | 76 | 36.4 Ų | 36.4 | 53% | 0.531 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -69.5 | -21.1 | 173.5 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | S88 Q179 D289 | S88-S90 PolarHBondContact O-N 2.98Å; S88-S90 VanDerWaalsContact O-N 3.09Å; S90-Q179 PolarHBondContact O-NE2 2.97Å; S90-D289 PolarHBondContact OG-OD2 3.27Å |
| 91 | G | 69.8 | Low | 83.8 | Confident | 19 Ų | 19 | 36.3 Ų | 36.3 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -116.5 | -157 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L89 Q179 | L89-G91 PolarHBondContact O-N 2.89Å; G91-Q179 WeakPolarHBondContact O-CG 3.44Å |
| 92 | S | 83.8 | Confident | 83.4 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | trans | -88.9 | 135.8 | 179.4 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | V94 I177 H178 D289 | S92-V94 PolarHBondContact O-N 2.91Å; S92-V94 VanDerWaalsContact O-N 3.17Å; S92-I177 CarbonylContact C-O 3.58Å; S92-I177 VanDerWaalsContact CA-O 3.32Å; S92-I177 WeakPolarHBondContact CA-O 3.33Å; S92-I177 WeakPolarHBondContact CB-O 3.21Å; S92-H178 PolarHBondContact OG-ND1 3.39Å; S92-D289 PolarHBondContact N-O 3.36Å; S92-D289 VanDerWaalsContact N-O 3.1Å; S92-D289 CarbonylContact O-C 3.58Å; S92-D289 WeakPolarHBondContact O-CA 3.31Å; S92-D289 VanDerWaalsContact O-O 3.11Å | ||
| 93 | L | 90.2 | Very high | 83 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 115.3 | 172.7 | -175.8 | 57.6 | 0 | 0 | 0 | 109.8 | L89 I95 I132 V176 I177 Y263 I266 V287 | L89-L93 HydrophobicContact CD1-CB 3.75Å; L89-L93 HydrophobicContact CD1-CD1 4.08Å; L89-L93 HydrophobicContact CD1-CD2 4.42Å; L89-L93 HydrophobicContact CD1-CG 4.29Å; L89-L93 HydrophobicContact CD2-CD1 4.48Å; L93-I95 HydrophobicContact CD1-CG1 4.47Å; L93-I95 HydrophobicContact CD2-CD1 4.05Å; L93-I95 HydrophobicContact CD2-CG1 4.44Å; L93-I95 HydrophobicContact CG-CD1 4.25Å; L93-I95 HydrophobicContact CG-CG1 4.16Å; L93-I132 HydrophobicContact CD2-CD1 3.71Å; L93-V176 CarbonylContact O-C 3.42Å; L93-V176 WeakPolarHBondContact O-CA 3.38Å; L93-I177 HydrophobicContact CB-CB 4.41Å; L93-I177 PolarHBondContact N-O 3.16Å; L93-I177 PolarHBondContact O-N 3.04Å; L93-Y263 HydrophobicContact CB-CE1 4.07Å; L93-Y263 HydrophobicContact CD2-CD1 4.12Å; L93-Y263 HydrophobicContact CD2-CE1 3.62Å; L93-Y263 HydrophobicContact CG-CE1 4.47Å; L93-I266 HydrophobicContact CD1-CD1 3.88Å; L93-I266 HydrophobicContact CD2-CD1 4.24Å; L93-V287 HydrophobicContact CD1-CG1 3.87Å |
| 94 | V | 93.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.7 | 173.9 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | S92 T174 L175 V176 V287 T288 E291 A294 | S92-V94 PolarHBondContact O-N 2.91Å; S92-V94 VanDerWaalsContact O-N 3.17Å; V94-T174 HydrophobicContact CG1-CG2 3.83Å; V94-L175 CarbonylContact C-O 3.42Å; V94-L175 WeakPolarHBondContact CA-O 3.34Å; V94-V176 HydrophobicContact CG1-CG2 4.19Å; V94-V176 HydrophobicContact CG2-CG1 4.23Å; V94-V176 HydrophobicContact CG2-CG2 4.33Å; V94-V287 WeakPolarHBondContact O-CA 3.08Å; V94-T288 HydrophobicContact CB-CG2 3.83Å; V94-T288 HydrophobicContact CG1-CG2 4.38Å; V94-T288 HydrophobicContact CG2-CG2 4.36Å; V94-T288 PolarHBondContact N-O 3.35Å; V94-T288 PolarHBondContact O-N 2.83Å; V94-E291 HydrophobicContact CG2-CB 4.32Å; V94-A294 HydrophobicContact CB-CB 4.46Å; V94-A294 HydrophobicContact CG1-CB 3.55Å |
| 95 | I | 95.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119 | 175.3 | -59.9 | 157.1 | 0 | 0 | 0 | 106.7 | L93 I112 I114 I132 F134 T174 L175 | L93-I95 HydrophobicContact CD1-CG1 4.47Å; L93-I95 HydrophobicContact CD2-CD1 4.05Å; L93-I95 HydrophobicContact CD2-CG1 4.44Å; L93-I95 HydrophobicContact CG-CD1 4.25Å; L93-I95 HydrophobicContact CG-CG1 4.16Å; I95-I112 HydrophobicContact CG2-CD1 3.62Å; I95-I112 HydrophobicContact CG2-CG1 4.36Å; I95-I114 HydrophobicContact CD1-CD1 4.02Å; I95-I114 HydrophobicContact CD1-CG1 3.51Å; I95-I114 HydrophobicContact CG1-CD1 4.04Å; I95-I114 HydrophobicContact CG1-CG1 4.1Å; I95-I114 HydrophobicContact CG2-CD1 4.24Å; I95-I132 HydrophobicContact CD1-CD1 3.9Å; I95-I132 HydrophobicContact CD1-CG2 4.29Å; I95-F134 HydrophobicContact CG2-CD1 4.45Å; I95-T174 CarbonylContact O-C 3.54Å; I95-T174 WeakPolarHBondContact O-CA 3.16Å; I95-L175 HydrophobicContact CB-CB 4.45Å; I95-L175 HydrophobicContact CD1-CD2 4.16Å; I95-L175 PolarHBondContact N-O 3.03Å; I95-L175 PolarHBondContact O-N 3.21Å |
| 96 | Q | 97.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.1 | -177.9 | 179 | 173 | -61 | 0 | 0 | 110.5 | L172 Y173 T174 I285 L286 A294 | Q96-L172 HydrophobicContact CG-CD1 3.76Å; Q96-L172 HydrophobicContact CG-CG 4.26Å; Q96-Y173 VanDerWaalsContact CA-O 3.32Å; Q96-Y173 WeakPolarHBondContact CA-O 3.47Å; Q96-T174 HydrophobicContact CB-CG2 4.17Å; Q96-T174 HydrophobicContact CG-CG2 4.49Å; Q96-T174 WeakPolarHBondContact CG-OG1 3.41Å; Q96-T174 PolarHBondContact OE1-OG1 2.9Å; Q96-I285 CarbonylContact O-C 3.5Å; Q96-I285 WeakPolarHBondContact O-CA 3.38Å; Q96-L286 HydrophobicContact CB-CB 4.26Å; Q96-L286 PolarHBondContact N-O 2.87Å; Q96-L286 PolarHBondContact O-N 2.8Å; Q96-A294 PolarHBondContact NE2-O 2.87Å; Q96-A294 PolarHBondContact OE1-O 2.81Å |
| 97 | F | 96.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 159.9 | 172.8 | 65.3 | -71.2 | 0 | 0 | 0 | 110.2 | V99 G110 I112 F134 Y173 F282 N284 I285 | F97-V99 HydrophobicContact CD2-CG2 3.45Å; F97-V99 VanDerWaalsContact CD2-CG2 3.45Å; F97-V99 HydrophobicContact CE2-CG2 3.21Å; F97-V99 HydrophobicContact CZ-CG2 4.35Å; F97-G110 WeakPolarHBondContact CE2-O 3.33Å; F97-I112 HydrophobicContact CD1-CD1 3.53Å; F97-I112 HydrophobicContact CD1-CG1 3.98Å; F97-I112 HydrophobicContact CD1-CG2 4.49Å; F97-I112 HydrophobicContact CD2-CG2 3.98Å; F97-I112 HydrophobicContact CE1-CD1 3.85Å; F97-I112 HydrophobicContact CE1-CG1 3.76Å; F97-I112 HydrophobicContact CE1-CG2 4.46Å; F97-I112 HydrophobicContact CE2-CG2 3.89Å; F97-I112 HydrophobicContact CG-CD1 4.03Å; F97-I112 HydrophobicContact CG-CG2 4.28Å; F97-I112 HydrophobicContact CZ-CG1 4.11Å; F97-I112 HydrophobicContact CZ-CG2 4.17Å; F97-F134 AromaticContact CE1-CD1 3.74Å; F97-F134 HydrophobicContact CE1-CD1 3.74Å; F97-F134 AromaticContact CE1-CE1 3.98Å; F97-F134 HydrophobicContact CE1-CE1 3.98Å; F97-F134 WeakPolarHBondContact CZ-O 3.4Å; F97-Y173 PolarHBondContact N-O 2.81Å; F97-Y173 PolarHBondContact O-N 2.94Å; F97-F282 HydrophobicContact CD2-CD1 4.25Å; F97-F282 HydrophobicContact CE2-CD1 4.34Å; F97-F282 HydrophobicContact CE2-CE1 4.44Å; F97-N284 WeakPolarHBondContact CA-O 3.22Å; F97-I285 HydrophobicContact CB-CB 4.41Å; F97-I285 HydrophobicContact CB-CG1 3.95Å |
| 98 | S | 94 | Very high | 83.9 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.5 | 174.5 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | H171 D283 N284 | S98-H171 CarbonylContact C-O 3.59Å; S98-H171 VanDerWaalsContact CA-O 3.26Å; S98-H171 WeakPolarHBondContact CA-O 3.5Å; S98-D283 PolarHBondContact N-O 3.34Å; S98-D283 PolarHBondContact O-N 2.71Å; S98-D283 WeakPolarHBondContact OG-CB 3.35Å; S98-D283 PolarHBondContact OG-O 2.66Å; S98-N284 PolarHBondContact OG-ND2 2.92Å; S98-N284 VanDerWaalsContact OG-ND2 3.12Å |
| 99 | V | 93.4 | Very high | 85 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138 | 178.9 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | F97 G110 T170 H171 Y173 T280 I281 F282 | F97-V99 HydrophobicContact CD2-CG2 3.45Å; F97-V99 VanDerWaalsContact CD2-CG2 3.45Å; F97-V99 HydrophobicContact CE2-CG2 3.21Å; F97-V99 HydrophobicContact CZ-CG2 4.35Å; V99-G110 WeakPolarHBondContact CG2-O 3.47Å; V99-T170 WeakPolarHBondContact O-CA 3.41Å; V99-H171 PolarHBondContact N-O 3.48Å; V99-H171 PolarHBondContact O-N 2.96Å; V99-Y173 HydrophobicContact CB-CD2 4.48Å; V99-Y173 HydrophobicContact CB-CE2 4.23Å; V99-Y173 HydrophobicContact CG2-CD2 4.32Å; V99-Y173 HydrophobicContact CG2-CE2 4.48Å; V99-T280 HydrophobicContact CG1-CG2 3.85Å; V99-I281 WeakPolarHBondContact CA-O 3.29Å; V99-F282 HydrophobicContact CG2-CD1 4.06Å; V99-F282 HydrophobicContact CG2-CE1 4.23Å |
| 100 | K | 91.5 | Very high | 86.5 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.1 | 171.7 | -179.6 | -172.3 | 175.5 | -174.3 | 0 | 109.6 | H54 F57 T170 T280 I281 | H54-K100 PolarHBondContact O-NZ 2.85Å; F57-K100 VanDerWaalsContact CE2-CE 3.41Å; F57-K100 VanDerWaalsContact CZ-CE 3.46Å; F57-K100 PolarHBondContact O-NZ 2.82Å; K100-T170 HydrophobicContact CB-CG2 4.45Å; K100-T280 CarbonylContact O-C 3.58Å; K100-T280 WeakPolarHBondContact O-CA 3.31Å; K100-I281 HydrophobicContact CB-CB 4.35Å; K100-I281 HydrophobicContact CD-CD1 4.29Å; K100-I281 PolarHBondContact N-O 2.98Å; K100-I281 PolarHBondContact O-N 2.7Å |
| 101 | H | 90.6 | Very high | 88.3 | Confident | 7 Ų | 7 | 21 Ų | 21 | 3% | 0.032 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 93.2 | 171 | -58.3 | -63.9 | 0 | 0 | 0 | 108.5 | Q103 I105 R168 T280 | H101-Q103 CarbonylContact C-O 3.55Å; H101-Q103 PolarHBondContact O-N 2.77Å; H101-I105 HydrophobicContact CB-CB 4.39Å; H101-I105 HydrophobicContact CB-CG2 4.12Å; H101-R168 WeakPolarHBondContact O-CA 3.41Å; H101-R168 WeakPolarHBondContact O-CB 3.41Å; H101-T280 PolarHBondContact ND1-OG1 2.58Å; H101-T280 VanDerWaalsContact ND1-OG1 3.13Å |
| 102 | E | 86.4 | Confident | 89.6 | Confident | 21 Ų | 21 | 20.1 Ų | 20.1 | 10% | 0.098 | 10% | 0.101 | C | C | . | . | trans | -65.8 | -32.5 | -179.7 | -163.2 | -166.2 | 139.4 | 0 | 0 | 111.9 | G55 K56 F57 Q68 G279 | G55-E102 WeakPolarHBondContact CA-OE2 3.34Å; K56-E102 WeakPolarHBondContact CB-OE1 3.3Å; K56-E102 WeakPolarHBondContact CD-OE1 3.36Å; K56-E102 VanDerWaalsContact CE-OE1 3.28Å; K56-E102 WeakPolarHBondContact CE-OE1 3.48Å; K56-E102 WeakPolarHBondContact CG-OE1 3.19Å; K56-E102 PolarHBondContact N-OE1 3.3Å; K56-E102 PolarHBondContact N-OE2 3.26Å; F57-E102 HydrophobicContact CD1-CG 4.34Å; F57-E102 HydrophobicContact CE1-CG 3.74Å; F57-E102 HydrophobicContact CZ-CG 4.49Å; Q68-E102 PolarHBondContact NE2-OE2 2.93Å; E102-G279 WeakPolarHBondContact CB-O 3.21Å; E102-G279 PolarHBondContact N-O 2.75Å | ||
| 103 | Q | 85.1 | Confident | 90.2 | Very high | 14 Ų | 14 | 19 Ų | 19 | 7% | 0.065 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -78.8 | 151.5 | 171.5 | 77.3 | -74.1 | 20.3 | 0 | 0 | 111.3 | H101 I105 Q275 K277 G279 T280 | H101-Q103 CarbonylContact C-O 3.55Å; H101-Q103 PolarHBondContact O-N 2.77Å; Q103-I105 VanDerWaalsContact C-N 3.3Å; Q103-I105 HydrophobicContact CG-CB 4.19Å; Q103-I105 PolarHBondContact O-N 2.8Å; Q103-Q275 VanDerWaalsContact NE2-OE1 3.09Å; Q103-K277 HydrophobicContact CB-CD 4.01Å; Q103-K277 HydrophobicContact CB-CG 3.98Å; Q103-K277 HydrophobicContact CG-CB 4.16Å; Q103-K277 HydrophobicContact CG-CD 4.45Å; Q103-K277 HydrophobicContact CG-CG 4.15Å; Q103-K277 WeakPolarHBondContact CG-O 3.49Å; Q103-K277 PolarHBondContact NE2-O 2.91Å; Q103-G279 VanDerWaalsContact OE1-CA 3.29Å; Q103-G279 PolarHBondContact OE1-O 2.8Å; Q103-T280 PolarHBondContact NE2-OG1 2.92Å; Q103-T280 VanDerWaalsContact OE1-N 3.13Å |
| 104 | K | 82.2 | Confident | 90.4 | Very high | 162 Ų | 162 | 19 Ų | 19 | 70% | 0.704 | 9% | 0.093 | S | C | * | . | trans | -67.4 | 98.4 | 157.5 | -171 | 179 | 179.9 | -174.2 | 0 | 106.5 | D106 | K104-D106 PolarHBondContact O-N 3.25Š| ||
| 105 | I | 78.3 | Confident | 90.5 | Very high | 18 Ų | 18 | 19 Ų | 19 | 9% | 0.092 | 9% | 0.093 | C | C | . | . | trans | -75 | 114.8 | -175.3 | -171.6 | 165.6 | 0 | 0 | 0 | 108.9 | H101 Q103 I138 | H101-I105 HydrophobicContact CB-CB 4.39Å; H101-I105 HydrophobicContact CB-CG2 4.12Å; Q103-I105 VanDerWaalsContact C-N 3.3Å; Q103-I105 HydrophobicContact CG-CB 4.19Å; Q103-I105 PolarHBondContact O-N 2.8Å; I105-I138 HydrophobicContact CD1-CB 4.46Å; I105-I138 HydrophobicContact CG2-CB 4.29Å; I105-I138 HydrophobicContact CG2-CD1 3.71Å; I105-I138 HydrophobicContact CG2-CG2 3.89Å | ||
| 106 | D | 79.3 | Confident | 90.2 | Very high | 93 Ų | 93 | 20.3 Ų | 20.3 | 50% | 0.497 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -85.5 | -48.2 | 174.8 | -61 | -43.3 | 0 | 0 | 0 | 109.9 | K104 C139 A140 | K104-D106 PolarHBondContact O-N 3.25Å; D106-C139 WeakPolarHBondContact O-CA 3.4Å; D106-A140 PolarHBondContact O-N 3.2Å |
| 107 | C | 85.5 | Confident | 89.7 | Confident | 28 Ų | 28 | 21 Ų | 21 | 19% | 0.189 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 126.2 | 171 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | I138 C139 V276 | C107-I138 CarbonylContact C-O 3.56Å; C107-I138 WeakPolarHBondContact CA-O 3.2Å; C107-C139 HydrophobicContact CB-CB 3.93Å; C107-C139 WeakPolarHBondContact CB-SG 3.26Å; C107-C139 WeakPolarHBondContact SG-CB 3.26Å; C107-C139 CovalentContact SG-SG 2.05Å; C107-C139 PolarHBondContact SG-SG 3.14Å; C107-V276 HydrophobicContact CB-CG2 3.85Å; C107-V276 WeakPolarHBondContact O-CB 3.49Å; C107-V276 WeakPolarHBondContact O-CG2 3.37Å; C107-V276 PolarHBondContact O-N 3.23Å; C107-V276 VanDerWaalsContact O-N 3.1Å |
| 108 | G | 86.5 | Confident | 89.4 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | 161.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I138 W274 | G108-I138 PolarHBondContact N-O 2.98Å; G108-I138 PolarHBondContact O-N 3.06Å; G108-I138 VanDerWaalsContact O-O 3.13Å; G108-W274 WeakPolarHBondContact CA-O 3.41Å |
| 109 | G | 86.3 | Confident | 89.3 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | W274 Q275 | G109-W274 PolarHBondContact N-O 2.78Å; G109-Q275 PolarHBondContact O-NE2 3.34Å |
| 110 | G | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -127.3 | 32.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F97 V99 P136 | F97-G110 WeakPolarHBondContact CE2-O 3.33Å; V99-G110 WeakPolarHBondContact CG2-O 3.47Å; G110-P136 CarbonylContact C-O 3.51Å; G110-P136 WeakPolarHBondContact CA-O 3.48Å; G110-P136 PolarHBondContact N-O 3.1Å; G110-P136 WeakPolarHBondContact O-CD 3.21Å; G110-P136 WeakPolarHBondContact O-CG 3.48Å | ||
| 111 | Y | 94.9 | Very high | 89.6 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | trans | -105.5 | 161.2 | -177 | 55.6 | -101.8 | 0 | 0 | 0 | 112.6 | M133 F134 D137 D272 V273 | Y111-M133 HydrophobicContact CD2-CE 4.27Å; Y111-M133 HydrophobicContact CD2-CG 3.69Å; Y111-M133 HydrophobicContact CD2-SD 3.97Å; Y111-M133 HydrophobicContact CE2-CE 3.9Å; Y111-M133 HydrophobicContact CE2-CG 4.29Å; Y111-M133 HydrophobicContact CE2-SD 4.06Å; Y111-M133 HydrophobicContact CG-CG 4.04Å; Y111-M133 HydrophobicContact CG-SD 4.26Å; Y111-F134 WeakPolarHBondContact CA-O 3.31Å; Y111-F134 WeakPolarHBondContact CB-O 2.93Å; Y111-D137 HydrophobicContact CD1-CB 4.31Å; Y111-D272 WeakPolarHBondContact CE2-O 3.34Å; Y111-D272 PolarHBondContact OH-O 2.82Å; Y111-V273 HydrophobicContact CD2-CG1 4.38Å; Y111-V273 HydrophobicContact CE1-CG1 4.35Å; Y111-V273 HydrophobicContact CE2-CG1 4Å | ||
| 112 | I | 97.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 156.9 | 171.6 | 68.8 | 175.2 | 0 | 0 | 0 | 110.7 | I95 F97 M133 F134 V269 I271 F282 I285 | I95-I112 HydrophobicContact CG2-CD1 3.62Å; I95-I112 HydrophobicContact CG2-CG1 4.36Å; F97-I112 HydrophobicContact CD1-CD1 3.53Å; F97-I112 HydrophobicContact CD1-CG1 3.98Å; F97-I112 HydrophobicContact CD1-CG2 4.49Å; F97-I112 HydrophobicContact CD2-CG2 3.98Å; F97-I112 HydrophobicContact CE1-CD1 3.85Å; F97-I112 HydrophobicContact CE1-CG1 3.76Å; F97-I112 HydrophobicContact CE1-CG2 4.46Å; F97-I112 HydrophobicContact CE2-CG2 3.89Å; F97-I112 HydrophobicContact CG-CD1 4.03Å; F97-I112 HydrophobicContact CG-CG2 4.28Å; F97-I112 HydrophobicContact CZ-CG1 4.11Å; F97-I112 HydrophobicContact CZ-CG2 4.17Å; I112-M133 WeakPolarHBondContact O-CA 3.34Å; I112-F134 PolarHBondContact N-O 2.74Å; I112-F134 PolarHBondContact O-N 3.17Å; I112-V269 HydrophobicContact CB-CG1 4.14Å; I112-V269 HydrophobicContact CD1-CG1 4.12Å; I112-I271 HydrophobicContact CG2-CG1 4.04Å; I112-F282 HydrophobicContact CG2-CD1 4.28Å; I112-F282 HydrophobicContact CG2-CE1 4.35Å; I112-I285 HydrophobicContact CD1-CG2 4.44Å |
| 113 | K | 96.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.6 | 176.6 | -70.9 | 174.9 | 174.6 | 175.6 | 0 | 110 | L115 F124 N126 Y130 I132 M133 V269 G270 D272 | K113-L115 HydrophobicContact CB-CD2 3.93Å; K113-L115 HydrophobicContact CB-CG 4.4Å; K113-F124 HydrophobicContact CD-CE2 4.23Å; K113-F124 HydrophobicContact CD-CZ 3.99Å; K113-N126 PolarHBondContact NZ-O 3.36Å; K113-Y130 HydrophobicContact CB-CG 4.47Å; K113-Y130 HydrophobicContact CD-CD1 3.88Å; K113-Y130 HydrophobicContact CD-CG 4.15Å; K113-Y130 HydrophobicContact CG-CD1 4.33Å; K113-Y130 HydrophobicContact CG-CG 4.15Å; K113-I132 CarbonylContact C-O 3.59Å; K113-I132 VanDerWaalsContact CA-O 3.26Å; K113-I132 WeakPolarHBondContact CA-O 3.46Å; K113-M133 HydrophobicContact CD-CE 4.33Å; K113-M133 HydrophobicContact CG-CB 4.29Å; K113-M133 HydrophobicContact CG-CE 4.29Å; K113-M133 HydrophobicContact CG-CG 4.31Å; K113-V269 CarbonylContact O-C 3.57Å; K113-V269 WeakPolarHBondContact O-CA 3.46Å; K113-G270 PolarHBondContact N-O 2.72Å; K113-G270 PolarHBondContact O-N 2.87Å; K113-D272 IonicContact NZ-OD2 3.22Å; K113-D272 PolarHBondContact NZ-OD2 3.24Å |
| 114 | I | 94.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.5 | 166.1 | -56.3 | -55 | 0 | 0 | 0 | 108.5 | F82 I95 Y131 I132 I266 V269 V287 | F82-I114 HydrophobicContact CZ-CG2 4.38Å; I95-I114 HydrophobicContact CD1-CD1 4.02Å; I95-I114 HydrophobicContact CD1-CG1 3.51Å; I95-I114 HydrophobicContact CG1-CD1 4.04Å; I95-I114 HydrophobicContact CG1-CG1 4.1Å; I95-I114 HydrophobicContact CG2-CD1 4.24Å; I114-Y131 PolarHBondContact O-N 3.04Å; I114-I132 HydrophobicContact CB-CB 4.12Å; I114-I132 HydrophobicContact CG1-CB 4.13Å; I114-I132 PolarHBondContact N-O 2.8Å; I114-I266 HydrophobicContact CG2-CB 3.92Å; I114-I266 HydrophobicContact CG2-CG2 3.83Å; I114-V269 HydrophobicContact CD1-CG2 3.9Å; I114-V287 HydrophobicContact CD1-CG2 4.34Å |
| 115 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 164.2 | -168 | -55.8 | 172.1 | 0 | 0 | 0 | 110.8 | K113 V119 F124 I266 G267 A268 | K113-L115 HydrophobicContact CB-CD2 3.93Å; K113-L115 HydrophobicContact CB-CG 4.4Å; L115-V119 HydrophobicContact CB-CB 4.35Å; L115-V119 HydrophobicContact CB-CG1 4.27Å; L115-V119 HydrophobicContact CD1-CG1 4.29Å; L115-V119 HydrophobicContact CD1-CG2 4.25Å; L115-F124 HydrophobicContact CD1-CD2 4Å; L115-F124 HydrophobicContact CD1-CE2 3.69Å; L115-F124 HydrophobicContact CD1-CZ 4.02Å; L115-F124 HydrophobicContact CD2-CD2 4.44Å; L115-F124 HydrophobicContact CD2-CE2 3.71Å; L115-F124 HydrophobicContact CD2-CZ 4.37Å; L115-F124 HydrophobicContact CG-CE2 4.33Å; L115-I266 WeakPolarHBondContact O-CA 3.37Å; L115-G267 PolarHBondContact O-N 3.07Å; L115-A268 HydrophobicContact CB-CB 3.96Å; L115-A268 HydrophobicContact CD1-CB 4.39Å; L115-A268 PolarHBondContact N-O 2.91Å; L115-A268 PolarHBondContact O-N 2.98Å |
| 116 | S | 90.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 144.9 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | K118 V119 S265 | S116-K118 PolarHBondContact O-N 3.19Å; S116-K118 PolarHBondContact OG-N 2.63Å; S116-V119 WeakPolarHBondContact O-CB 3.43Å; S116-V119 VanDerWaalsContact O-CG1 3.3Å; S116-V119 WeakPolarHBondContact O-CG1 3.39Å; S116-V119 PolarHBondContact O-N 3.07Å; S116-S265 CarbonylContact C-O 3.47Å; S116-S265 WeakPolarHBondContact CA-O 3.47Å; S116-S265 PolarHBondContact OG-O 2.74Å |
| 117 | G | 88.2 | Confident | 92.6 | Very high | 15 Ų | 15 | 39 Ų | 39 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114 | K81 S265 | K81-G117 WeakPolarHBondContact CE-O 3.37Å; G117-S265 PolarHBondContact N-O 3.29Å |
| 118 | K | 89.9 | Confident | 93 | Very high | 198 Ų | 198 | 38.6 Ų | 38.6 | 86% | 0.861 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3.5 | 175.5 | -60.9 | -176.2 | -178.8 | 179.4 | 0 | 114.2 | S116 N120 | S116-K118 PolarHBondContact O-N 3.19Å; S116-K118 PolarHBondContact OG-N 2.63Å; K118-N120 PolarHBondContact O-N 3.28Å |
| 119 | V | 92.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 14% | 0.139 | 22% | 0.222 | C | C | . | . | trans | -58.5 | 137 | -178.7 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | L115 S116 Q121 F124 A268 | L115-V119 HydrophobicContact CB-CB 4.35Å; L115-V119 HydrophobicContact CB-CG1 4.27Å; L115-V119 HydrophobicContact CD1-CG1 4.29Å; L115-V119 HydrophobicContact CD1-CG2 4.25Å; S116-V119 WeakPolarHBondContact O-CB 3.43Å; S116-V119 VanDerWaalsContact O-CG1 3.3Å; S116-V119 WeakPolarHBondContact O-CG1 3.39Å; S116-V119 PolarHBondContact O-N 3.07Å; V119-Q121 HydrophobicContact CG1-CG 4.03Å; V119-Q121 PolarHBondContact O-N 3.24Å; V119-F124 HydrophobicContact CG2-CD2 4.49Å; V119-A268 HydrophobicContact CG1-CB 3.79Å | ||
| 120 | N | 95.6 | Very high | 93.6 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | trans | -80.3 | 94.5 | 168.3 | -174.7 | 6.5 | 0 | 0 | 0 | 109.3 | K118 T122 D123 F124 | K118-N120 PolarHBondContact O-N 3.28Å; N120-T122 VanDerWaalsContact C-N 3.25Å; N120-T122 PolarHBondContact O-N 3.06Å; N120-T122 PolarHBondContact OD1-OG1 3.46Å; N120-D123 HydrophobicContact CB-CB 4.35Å; N120-D123 WeakPolarHBondContact ND2-CB 3.37Å; N120-D123 CarbonylContact O-C 3.59Å; N120-D123 VanDerWaalsContact O-C 3.3Å; N120-D123 PolarHBondContact O-N 2.73Å; N120-F124 PolarHBondContact O-N 2.9Å | ||
| 121 | Q | 95.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 13% | 0.131 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -62.6 | -29.3 | -173.3 | -63.9 | 180 | -99.3 | 0 | 0 | 113.8 | V39 S79 V119 D123 | V39-Q121 HydrophobicContact CB-CB 3.8Å; V39-Q121 HydrophobicContact CG1-CB 3.83Å; V39-Q121 HydrophobicContact CG2-CB 4.22Å; S79-Q121 PolarHBondContact O-NE2 2.99Å; S79-Q121 VanDerWaalsContact OG-CB 3.29Å; S79-Q121 WeakPolarHBondContact OG-CB 3.07Å; S79-Q121 VanDerWaalsContact OG-CG 3.3Å; S79-Q121 WeakPolarHBondContact OG-CG 3.39Å; V119-Q121 HydrophobicContact CG1-CG 4.03Å; V119-Q121 PolarHBondContact O-N 3.24Å; Q121-D123 VanDerWaalsContact C-N 3.25Å; Q121-D123 PolarHBondContact O-N 2.76Å |
| 122 | T | 96.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 43 Ų | 43 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -76.8 | -14.5 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | V39 K42 H43 N120 | V39-T122 HydrophobicContact CG1-CG2 3.93Å; K42-T122 WeakPolarHBondContact CA-O 3.48Å; K42-T122 WeakPolarHBondContact CB-O 3.3Å; K42-T122 PolarHBondContact N-O 2.77Å; H43-T122 PolarHBondContact N-O 2.81Å; N120-T122 VanDerWaalsContact C-N 3.25Å; N120-T122 PolarHBondContact O-N 3.06Å; N120-T122 PolarHBondContact OD1-OG1 3.46Å |
| 123 | D | 96.5 | Very high | 93.2 | Very high | 70 Ų | 70 | 43.8 Ų | 43.8 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -122.7 | 36.6 | 177 | -167 | 36.3 | 0 | 0 | 0 | 110.3 | H43 N120 Q121 H125 | H43-D123 IonicContact CE1-OD1 3.82Å; H43-D123 IonicContact CG-OD1 2.84Å; H43-D123 IonicContact ND1-OD1 2.96Å; H43-D123 PolarHBondContact ND1-OD1 2.74Å; N120-D123 HydrophobicContact CB-CB 4.35Å; N120-D123 WeakPolarHBondContact ND2-CB 3.37Å; N120-D123 CarbonylContact O-C 3.59Å; N120-D123 VanDerWaalsContact O-C 3.3Å; N120-D123 PolarHBondContact O-N 2.73Å; Q121-D123 VanDerWaalsContact C-N 3.25Å; Q121-D123 PolarHBondContact O-N 2.76Å; D123-H125 PolarHBondContact O-CD2 3.15Å; D123-H125 VanDerWaalsContact O-CD2 3.31Å |
| 124 | F | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -84.3 | 131.1 | 176.6 | 173.6 | -120.2 | 0 | 0 | 0 | 110.8 | S41 A77 K113 L115 V119 N120 D272 | S41-F124 WeakPolarHBondContact CB-O 3.33Å; S41-F124 PolarHBondContact OG-N 2.63Å; S41-F124 PolarHBondContact OG-O 3.46Å; A77-F124 HydrophobicContact CB-CD1 4.3Å; K113-F124 HydrophobicContact CD-CE2 4.23Å; K113-F124 HydrophobicContact CD-CZ 3.99Å; L115-F124 HydrophobicContact CD1-CD2 4Å; L115-F124 HydrophobicContact CD1-CE2 3.69Å; L115-F124 HydrophobicContact CD1-CZ 4.02Å; L115-F124 HydrophobicContact CD2-CD2 4.44Å; L115-F124 HydrophobicContact CD2-CE2 3.71Å; L115-F124 HydrophobicContact CD2-CZ 4.37Å; L115-F124 HydrophobicContact CG-CE2 4.33Å; V119-F124 HydrophobicContact CG2-CD2 4.49Å; N120-F124 PolarHBondContact O-N 2.9Å; F124-D272 HydrophobicContact CE1-CB 3.69Å; F124-D272 HydrophobicContact CZ-CB 3.68Å | ||
| 125 | H | 94.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | trans | -158.5 | -173.7 | -175.8 | 67.1 | 104.2 | 0 | 0 | 0 | 112.3 | H43 Y47 D123 N127 S128 | H43-H125 HydrophobicContact CB-CB 4.1Å; H43-H125 VanDerWaalsContact CD2-CB 3.4Å; H43-H125 WeakPolarHBondContact CD2-CB 3.31Å; H43-H125 AromaticContact CD2-CG 3.61Å; H43-H125 AromaticContact CE1-CD2 3.57Å; H43-H125 AromaticContact CE1-CE1 3.75Å; H43-H125 AromaticContact CE1-CG 3.71Å; H43-H125 AromaticContact CE1-ND1 3.83Å; H43-H125 AromaticContact CE1-NE2 3.67Å; H43-H125 AromaticContact CG-CD2 3.87Å; H43-H125 AromaticContact CG-CG 3.82Å; H43-H125 AromaticContact ND1-CD2 3.54Å; H43-H125 AromaticContact ND1-CG 3.87Å; H43-H125 AromaticContact NE2-CD2 3.91Å; H43-H125 AromaticContact NE2-CE1 3.88Å; H43-H125 AromaticContact NE2-CG 3.55Å; H43-H125 AromaticContact NE2-ND1 3.55Å; Y47-H125 WeakPolarHBondContact OH-CB 3.28Å; D123-H125 PolarHBondContact O-CD2 3.15Å; D123-H125 VanDerWaalsContact O-CD2 3.31Å; H125-N127 VanDerWaalsContact C-N 3.34Å; H125-N127 VanDerWaalsContact CE1-CB 3.49Å; H125-N127 WeakPolarHBondContact CE1-CB 3.35Å; H125-N127 PolarHBondContact ND1-N 2.9Å; H125-N127 PolarHBondContact O-N 2.96Å; H125-S128 PolarHBondContact CD2-OG 3.38Å; H125-S128 VanDerWaalsContact CD2-OG 3.22Å; H125-S128 PolarHBondContact N-OG 2.92Å; H125-S128 VanDerWaalsContact O-CB 3.28Å; H125-S128 WeakPolarHBondContact O-CB 3.41Å; H125-S128 PolarHBondContact O-N 2.94Å; H125-S128 PolarHBondContact O-OG 3.11Å | ||
| 126 | N | 90.1 | Very high | 93.2 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.1 | -177.3 | 68.9 | -44.9 | 0 | 0 | 0 | 115.6 | K113 D272 | K113-N126 PolarHBondContact NZ-O 3.36Å; N126-D272 WeakPolarHBondContact CA-OD2 3.47Å; N126-D272 PolarHBondContact N-OD2 2.81Å |
| 127 | N | 91.3 | Very high | 93.2 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 67% | 0.674 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.3 | 178 | -48.9 | -30.3 | 0 | 0 | 0 | 113 | H125 S129 | H125-N127 VanDerWaalsContact C-N 3.34Å; H125-N127 VanDerWaalsContact CE1-CB 3.49Å; H125-N127 WeakPolarHBondContact CE1-CB 3.35Å; H125-N127 PolarHBondContact ND1-N 2.9Å; H125-N127 PolarHBondContact O-N 2.96Å; N127-S129 PolarHBondContact O-N 3.33Å |
| 128 | S | 93.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -63.4 | 131.8 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | H125 Y130 | H125-S128 PolarHBondContact CD2-OG 3.38Å; H125-S128 VanDerWaalsContact CD2-OG 3.22Å; H125-S128 PolarHBondContact N-OG 2.92Å; H125-S128 VanDerWaalsContact O-CB 3.28Å; H125-S128 WeakPolarHBondContact O-CB 3.41Å; H125-S128 PolarHBondContact O-N 2.94Å; H125-S128 PolarHBondContact O-OG 3.11Å; S128-Y130 PolarHBondContact O-N 3.45Å |
| 129 | S | 91.5 | Very high | 93.1 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 41% | 0.413 | 21% | 0.205 | S | C | . | . | trans | -63 | 126.6 | 179.4 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | N127 K150 | N127-S129 PolarHBondContact O-N 3.33Å; S129-K150 PolarHBondContact OG-NZ 3.48Å | ||
| 130 | Y | 92.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 160.5 | 172.6 | 59.7 | -90.2 | 0 | 0 | 0 | 110.8 | K113 S128 M133 I148 K150 Y155 | K113-Y130 HydrophobicContact CB-CG 4.47Å; K113-Y130 HydrophobicContact CD-CD1 3.88Å; K113-Y130 HydrophobicContact CD-CG 4.15Å; K113-Y130 HydrophobicContact CG-CD1 4.33Å; K113-Y130 HydrophobicContact CG-CG 4.15Å; S128-Y130 PolarHBondContact O-N 3.45Å; Y130-M133 HydrophobicContact CD2-CB 3.94Å; Y130-M133 HydrophobicContact CE1-CE 4.05Å; Y130-M133 HydrophobicContact CE2-CB 3.51Å; Y130-I148 HydrophobicContact CE2-CB 4.28Å; Y130-I148 HydrophobicContact CE2-CG2 4.2Å; Y130-K150 VanDerWaalsContact O-CB 3.22Å; Y130-K150 WeakPolarHBondContact O-CB 3.43Å; Y130-K150 VanDerWaalsContact O-CD 3.27Å; Y130-K150 WeakPolarHBondContact O-CD 3.33Å; Y130-Y155 HydrophobicContact CD1-CE1 4.1Å; Y130-Y155 HydrophobicContact CD2-CD1 4.44Å; Y130-Y155 AromaticContact CD2-CE1 3.85Å; Y130-Y155 HydrophobicContact CD2-CE1 3.85Å; Y130-Y155 HydrophobicContact CE1-CD1 4.37Å; Y130-Y155 AromaticContact CE1-CE1 3.72Å; Y130-Y155 HydrophobicContact CE1-CE1 3.72Å; Y130-Y155 AromaticContact CE2-CD1 3.67Å; Y130-Y155 HydrophobicContact CE2-CD1 3.67Å; Y130-Y155 AromaticContact CE2-CE1 3.45Å; Y130-Y155 HydrophobicContact CE2-CE1 3.45Å; Y130-Y155 VanDerWaalsContact CE2-CE1 3.45Å; Y130-Y155 HydrophobicContact CG-CE1 4.16Å; Y130-Y155 AromaticContact CZ-CD1 3.63Å; Y130-Y155 AromaticContact CZ-CE1 3.38Å |
| 131 | Y | 90.8 | Very high | 91.6 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -41.5 | 173.7 | -70.4 | -65 | 0 | 0 | 0 | 112.5 | I114 L149 K150 F262 S265 I266 | I114-Y131 PolarHBondContact O-N 3.04Å; Y131-L149 CarbonylContact O-C 3.56Å; Y131-L149 WeakPolarHBondContact O-CA 3.41Å; Y131-K150 PolarHBondContact O-N 2.66Å; Y131-F262 HydrophobicContact CD1-CB 4.01Å; Y131-F262 HydrophobicContact CD1-CD2 4.03Å; Y131-F262 HydrophobicContact CD1-CG 4.28Å; Y131-F262 HydrophobicContact CE1-CB 3.93Å; Y131-F262 HydrophobicContact CG-CD2 4.23Å; Y131-S265 VanDerWaalsContact CE2-OG 3.31Å; Y131-S265 WeakPolarHBondContact CE2-OG 3.33Å; Y131-S265 PolarHBondContact OH-OG 2.88Å; Y131-I266 HydrophobicContact CD2-CG2 3.75Å; Y131-I266 HydrophobicContact CE2-CG2 4.33Å; Y131-I266 HydrophobicContact CG-CG2 4.27Å |
| 132 | I | 92.4 | Very high | 91 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.2 | -179.3 | -57.8 | 169.1 | 0 | 0 | 0 | 107.9 | L93 I95 K113 I114 F134 I148 L175 I177 | L93-I132 HydrophobicContact CD2-CD1 3.71Å; I95-I132 HydrophobicContact CD1-CD1 3.9Å; I95-I132 HydrophobicContact CD1-CG2 4.29Å; K113-I132 CarbonylContact C-O 3.59Å; K113-I132 VanDerWaalsContact CA-O 3.26Å; K113-I132 WeakPolarHBondContact CA-O 3.46Å; I114-I132 HydrophobicContact CB-CB 4.12Å; I114-I132 HydrophobicContact CG1-CB 4.13Å; I114-I132 PolarHBondContact N-O 2.8Å; I132-F134 HydrophobicContact CG2-CB 4.16Å; I132-I148 CarbonylContact C-O 3.44Å; I132-I148 VanDerWaalsContact CA-O 3.26Å; I132-I148 WeakPolarHBondContact CA-O 3.3Å; I132-L175 HydrophobicContact CG2-CD2 3.9Å; I132-I177 HydrophobicContact CD1-CD1 3.68Å |
| 133 | M | 94.3 | Very high | 90.6 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125 | 161.8 | 177.4 | -167.2 | -74.9 | 0 | 0 | 107.3 | Y111 I112 K113 Y130 M147 I148 | Y111-M133 HydrophobicContact CD2-CE 4.27Å; Y111-M133 HydrophobicContact CD2-CG 3.69Å; Y111-M133 HydrophobicContact CD2-SD 3.97Å; Y111-M133 HydrophobicContact CE2-CE 3.9Å; Y111-M133 HydrophobicContact CE2-CG 4.29Å; Y111-M133 HydrophobicContact CE2-SD 4.06Å; Y111-M133 HydrophobicContact CG-CG 4.04Å; Y111-M133 HydrophobicContact CG-SD 4.26Å; I112-M133 WeakPolarHBondContact O-CA 3.34Å; K113-M133 HydrophobicContact CD-CE 4.33Å; K113-M133 HydrophobicContact CG-CB 4.29Å; K113-M133 HydrophobicContact CG-CE 4.29Å; K113-M133 HydrophobicContact CG-CG 4.31Å; Y130-M133 HydrophobicContact CD2-CB 3.94Å; Y130-M133 HydrophobicContact CE1-CE 4.05Å; Y130-M133 HydrophobicContact CE2-CB 3.51Å; M133-M147 CarbonylContact O-C 3.57Å; M133-M147 WeakPolarHBondContact O-CA 3.23Å; M133-I148 HydrophobicContact CB-CB 4.2Å; M133-I148 PolarHBondContact N-O 3.17Å; M133-I148 PolarHBondContact O-N 2.97Å; M133-I148 HydrophobicContact SD-CD1 3.86Å |
| 134 | F | 95.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 131.1 | -175.6 | 174.8 | -117.5 | 0 | 0 | 0 | 111.3 | I95 F97 Y111 I112 I132 L145 Q146 M147 L175 V185 | I95-F134 HydrophobicContact CG2-CD1 4.45Å; F97-F134 AromaticContact CE1-CD1 3.74Å; F97-F134 HydrophobicContact CE1-CD1 3.74Å; F97-F134 AromaticContact CE1-CE1 3.98Å; F97-F134 HydrophobicContact CE1-CE1 3.98Å; F97-F134 WeakPolarHBondContact CZ-O 3.4Å; Y111-F134 WeakPolarHBondContact CA-O 3.31Å; Y111-F134 WeakPolarHBondContact CB-O 2.93Å; I112-F134 PolarHBondContact N-O 2.74Å; I112-F134 PolarHBondContact O-N 3.17Å; I132-F134 HydrophobicContact CG2-CB 4.16Å; F134-L145 HydrophobicContact CD2-CD1 4.46Å; F134-L145 HydrophobicContact CE2-CD1 3.9Å; F134-L145 HydrophobicContact CE2-CD2 4.38Å; F134-L145 HydrophobicContact CE2-CG 4.24Å; F134-L145 HydrophobicContact CZ-CD1 4.39Å; F134-Q146 WeakPolarHBondContact CA-O 3.45Å; F134-Q146 WeakPolarHBondContact CD2-O 3.41Å; F134-M147 HydrophobicContact CD2-CB 4.36Å; F134-L175 HydrophobicContact CB-CD2 4.02Å; F134-L175 HydrophobicContact CD1-CB 3.56Å; F134-L175 HydrophobicContact CD1-CD2 4.26Å; F134-L175 HydrophobicContact CD2-CB 4.09Å; F134-L175 HydrophobicContact CD2-CD2 4.08Å; F134-L175 HydrophobicContact CE1-CB 3.48Å; F134-L175 VanDerWaalsContact CE1-CB 3.48Å; F134-L175 HydrophobicContact CE2-CB 4Å; F134-L175 HydrophobicContact CG-CB 3.9Å; F134-L175 HydrophobicContact CG-CD2 3.85Å; F134-L175 HydrophobicContact CZ-CB 3.71Å; F134-V185 HydrophobicContact CE2-CG1 3.82Å; F134-V185 HydrophobicContact CE2-CG2 4.38Å; F134-V185 HydrophobicContact CZ-CG1 3.91Å |
| 135 | G | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.3 | 177 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q146 | G135-Q146 PolarHBondContact N-O 2.8Å; G135-Q146 VanDerWaalsContact N-O 3.09Å; G135-Q146 PolarHBondContact O-N 2.86Å |
| 136 | P | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 135.6 | 177.4 | 24.6 | -34.8 | 0 | 0 | 0 | 112.2 | G110 C164 Y173 | G110-P136 CarbonylContact C-O 3.51Å; G110-P136 WeakPolarHBondContact CA-O 3.48Å; G110-P136 PolarHBondContact N-O 3.1Å; G110-P136 WeakPolarHBondContact O-CD 3.21Å; G110-P136 WeakPolarHBondContact O-CG 3.48Å; P136-C164 HydrophobicContact CB-CB 3.84Å; P136-Y173 HydrophobicContact CG-CE1 4.47Å; P136-Y173 HydrophobicContact CG-CE2 3.85Å |
| 137 | D | 91.1 | Very high | 90.1 | Very high | 50 Ų | 50 | 39 Ų | 39 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 111.9 | 170.1 | -175.9 | 20.5 | 0 | 0 | 0 | 107.6 | Y111 V144 Q146 | Y111-D137 HydrophobicContact CD1-CB 4.31Å; D137-V144 HydrophobicContact CB-CG2 4.24Å; D137-V144 PolarHBondContact N-O 3.25Å; D137-V144 PolarHBondContact O-N 3.34Å; D137-Q146 HydrophobicContact CB-CG 3.63Å |
| 138 | I | 89.8 | Confident | 90.1 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.8 | -170 | -61.1 | 167.7 | 0 | 0 | 0 | 107.8 | I105 C107 G108 S142 K143 | I105-I138 HydrophobicContact CD1-CB 4.46Å; I105-I138 HydrophobicContact CG2-CB 4.29Å; I105-I138 HydrophobicContact CG2-CD1 3.71Å; I105-I138 HydrophobicContact CG2-CG2 3.89Å; C107-I138 CarbonylContact C-O 3.56Å; C107-I138 WeakPolarHBondContact CA-O 3.2Å; G108-I138 PolarHBondContact N-O 2.98Å; G108-I138 PolarHBondContact O-N 3.06Å; G108-I138 VanDerWaalsContact O-O 3.13Å; I138-S142 CarbonylContact C-O 3.55Å; I138-S142 WeakPolarHBondContact CA-O 3.33Å; I138-K143 HydrophobicContact CG2-CG 4.03Å |
| 139 | C | 86.1 | Confident | 89.9 | Confident | 54 Ų | 54 | 33.5 Ų | 33.5 | 37% | 0.365 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 113.4 | 172.3 | -158.4 | 0 | 0 | 0 | 0 | 110.9 | D106 C107 D141 S142 | D106-C139 WeakPolarHBondContact O-CA 3.4Å; C107-C139 HydrophobicContact CB-CB 3.93Å; C107-C139 WeakPolarHBondContact CB-SG 3.26Å; C107-C139 WeakPolarHBondContact SG-CB 3.26Å; C107-C139 CovalentContact SG-SG 2.05Å; C107-C139 PolarHBondContact SG-SG 3.14Å; C139-D141 PolarHBondContact O-N 2.94Å; C139-D141 VanDerWaalsContact O-N 3.15Å; C139-S142 PolarHBondContact N-O 3.45Å; C139-S142 WeakPolarHBondContact O-CA 3.37Å; C139-S142 WeakPolarHBondContact O-CB 3.39Å; C139-S142 PolarHBondContact O-N 3.06Å |
| 140 | A | 78.5 | Confident | 89.6 | Confident | 70 Ų | 70 | 32.1 Ų | 32.1 | 58% | 0.579 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -114.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D106 | D106-A140 PolarHBondContact O-N 3.2Š|
| 141 | D | 78.6 | Confident | 88.9 | Confident | 164 Ų | 164 | 34.5 Ų | 34.5 | 88% | 0.877 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.4 | -179.9 | -60.9 | -40.4 | 0 | 0 | 0 | 113 | C139 K143 | C139-D141 PolarHBondContact O-N 2.94Å; C139-D141 VanDerWaalsContact O-N 3.15Å; D141-K143 PolarHBondContact O-N 2.72Å |
| 142 | S | 83.2 | Confident | 88.2 | Confident | 56 Ų | 56 | 39 Ų | 39 | 39% | 0.392 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 111.2 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | I138 C139 | I138-S142 CarbonylContact C-O 3.55Å; I138-S142 WeakPolarHBondContact CA-O 3.33Å; C139-S142 PolarHBondContact N-O 3.45Å; C139-S142 WeakPolarHBondContact O-CA 3.37Å; C139-S142 WeakPolarHBondContact O-CB 3.39Å; C139-S142 PolarHBondContact O-N 3.06Å |
| 143 | K | 88.3 | Confident | 87.6 | Confident | 88 Ų | 88 | 44.9 Ų | 44.9 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 80.7 | 178.4 | -69.3 | 173.1 | 176.4 | -170.7 | 0 | 109 | I138 D141 K163 C164 S166 | I138-K143 HydrophobicContact CG2-CG 4.03Å; D141-K143 PolarHBondContact O-N 2.72Å; K143-K163 WeakPolarHBondContact O-CA 3.41Å; K143-C164 VanDerWaalsContact C-SG 3.57Å; K143-C164 PolarHBondContact O-N 2.77Å; K143-S166 PolarHBondContact NZ-OG 3.02Å; K143-S166 VanDerWaalsContact NZ-OG 3.07Å |
| 144 | V | 91 | Very high | 87 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.4 | -167.1 | -61 | 0 | 0 | 0 | 0 | 110.7 | D137 Q146 D161 V162 | D137-V144 HydrophobicContact CB-CG2 4.24Å; D137-V144 PolarHBondContact N-O 3.25Å; D137-V144 PolarHBondContact O-N 3.34Å; V144-Q146 HydrophobicContact CG2-CG 4.12Å; V144-Q146 VanDerWaalsContact CG2-NE2 3.33Å; V144-D161 HydrophobicContact CB-CB 4.48Å; V144-D161 HydrophobicContact CG1-CB 3.73Å; V144-V162 CarbonylContact C-O 3.49Å; V144-V162 WeakPolarHBondContact CA-O 3.41Å |
| 145 | L | 92.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 113.8 | 163.7 | 179.8 | 55.5 | 0 | 0 | 0 | 106.1 | F134 W158 V162 C164 Y173 V185 V187 V192 | F134-L145 HydrophobicContact CD2-CD1 4.46Å; F134-L145 HydrophobicContact CE2-CD1 3.9Å; F134-L145 HydrophobicContact CE2-CD2 4.38Å; F134-L145 HydrophobicContact CE2-CG 4.24Å; F134-L145 HydrophobicContact CZ-CD1 4.39Å; L145-W158 HydrophobicContact CG-CH2 4.47Å; L145-W158 HydrophobicContact CG-CZ3 4.26Å; L145-W158 WeakPolarHBondContact O-CZ3 3.38Å; L145-V162 HydrophobicContact CB-CB 4.15Å; L145-V162 HydrophobicContact CB-CG1 4.18Å; L145-V162 HydrophobicContact CD2-CG1 4.2Å; L145-V162 PolarHBondContact N-O 2.95Å; L145-C164 HydrophobicContact CB-CB 4.02Å; L145-Y173 HydrophobicContact CD1-CD1 3.69Å; L145-Y173 HydrophobicContact CD1-CE1 3.87Å; L145-Y173 HydrophobicContact CD2-CD1 4.26Å; L145-Y173 HydrophobicContact CD2-CE1 4.41Å; L145-V185 HydrophobicContact CD2-CG1 3.59Å; L145-V187 HydrophobicContact CD2-CG2 4.05Å; L145-V192 HydrophobicContact CD2-CG2 4.38Å |
| 146 | Q | 91 | Very high | 86.1 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 140.3 | 178.4 | -67.6 | -71.4 | 0.6 | 0 | 0 | 110.1 | F134 G135 D137 V144 | F134-Q146 WeakPolarHBondContact CA-O 3.45Å; F134-Q146 WeakPolarHBondContact CD2-O 3.41Å; G135-Q146 PolarHBondContact N-O 2.8Å; G135-Q146 VanDerWaalsContact N-O 3.09Å; G135-Q146 PolarHBondContact O-N 2.86Å; D137-Q146 HydrophobicContact CB-CG 3.63Å; V144-Q146 HydrophobicContact CG2-CG 4.12Å; V144-Q146 VanDerWaalsContact CG2-NE2 3.33Å |
| 147 | M | 91.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 106 | 159.6 | -173.6 | -173 | 83.5 | 0 | 0 | 107.3 | M133 F134 W158 L175 Y183 L197 L201 | M133-M147 CarbonylContact O-C 3.57Å; M133-M147 WeakPolarHBondContact O-CA 3.23Å; F134-M147 HydrophobicContact CD2-CB 4.36Å; M147-W158 HydrophobicContact CB-CD2 4.08Å; M147-W158 HydrophobicContact CB-CE3 4.21Å; M147-W158 HydrophobicContact CB-CH2 3.56Å; M147-W158 HydrophobicContact CB-CZ2 3.39Å; M147-W158 HydrophobicContact CB-CZ3 3.98Å; M147-W158 HydrophobicContact CE-CZ2 3.92Å; M147-W158 HydrophobicContact CG-CZ2 4.07Å; M147-W158 HydrophobicContact SD-CH2 4.47Å; M147-W158 HydrophobicContact SD-CZ2 3.56Å; M147-W158 VanDerWaalsContact SD-CZ2 3.56Å; M147-L175 HydrophobicContact CG-CD2 4.12Å; M147-L175 HydrophobicContact SD-CD1 3.59Å; M147-L175 VanDerWaalsContact SD-CD1 3.59Å; M147-L175 HydrophobicContact SD-CD2 4.09Å; M147-Y183 HydrophobicContact CE-CD2 4.31Å; M147-Y183 HydrophobicContact CE-CE2 4.22Å; M147-Y183 HydrophobicContact SD-CD2 4.03Å; M147-Y183 HydrophobicContact SD-CE2 4.23Å; M147-L197 HydrophobicContact CE-CD2 3.57Å; M147-L197 HydrophobicContact SD-CD2 4.47Å; M147-L201 HydrophobicContact CE-CD1 4.03Å; M147-L201 HydrophobicContact CE-CD2 3.65Å; M147-L201 HydrophobicContact CE-CG 4.02Å |
| 148 | I | 90.5 | Very high | 85.4 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122 | 177.8 | -49.7 | 179.9 | 0 | 0 | 0 | 107.8 | Y130 I132 M133 Y155 F156 K157 | Y130-I148 HydrophobicContact CE2-CB 4.28Å; Y130-I148 HydrophobicContact CE2-CG2 4.2Å; I132-I148 CarbonylContact C-O 3.44Å; I132-I148 VanDerWaalsContact CA-O 3.26Å; I132-I148 WeakPolarHBondContact CA-O 3.3Å; M133-I148 HydrophobicContact CB-CB 4.2Å; M133-I148 PolarHBondContact N-O 3.17Å; M133-I148 PolarHBondContact O-N 2.97Å; M133-I148 HydrophobicContact SD-CD1 3.86Å; I148-Y155 HydrophobicContact CG2-CD1 3.94Å; I148-Y155 HydrophobicContact CG2-CG 4.34Å; I148-F156 CarbonylContact C-O 3.51Å; I148-F156 VanDerWaalsContact CA-O 3.31Å; I148-F156 WeakPolarHBondContact CA-O 3.43Å; I148-K157 HydrophobicContact CG1-CB 4.32Å |
| 149 | L | 89.1 | Confident | 84.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.5 | 179.4 | -171 | 148.3 | 0 | 0 | 0 | 110 | Y131 F156 I177 L197 L201 F203 F262 | Y131-L149 CarbonylContact O-C 3.56Å; Y131-L149 WeakPolarHBondContact O-CA 3.41Å; L149-F156 PolarHBondContact N-O 3.29Å; L149-F156 PolarHBondContact O-N 3.07Å; L149-I177 HydrophobicContact CD1-CD1 4.26Å; L149-L197 HydrophobicContact CD1-CD1 4.11Å; L149-L197 HydrophobicContact CD1-CD2 4.4Å; L149-L201 HydrophobicContact CB-CD1 3.89Å; L149-L201 HydrophobicContact CD1-CD1 4.45Å; L149-F203 HydrophobicContact CD2-CZ 4.41Å; L149-F262 HydrophobicContact CD1-CZ 4.31Å; L149-F262 HydrophobicContact CD2-CE1 4.42Å |
| 150 | K | 86 | Confident | 84 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 124.3 | 173.6 | -170 | -171.2 | 177.4 | -171.2 | 0 | 110 | S129 Y130 Y131 D153 T154 Y155 | S129-K150 PolarHBondContact OG-NZ 3.48Å; Y130-K150 VanDerWaalsContact O-CB 3.22Å; Y130-K150 WeakPolarHBondContact O-CB 3.43Å; Y130-K150 VanDerWaalsContact O-CD 3.27Å; Y130-K150 WeakPolarHBondContact O-CD 3.33Å; Y131-K150 PolarHBondContact O-N 2.66Å; K150-D153 WeakPolarHBondContact CE-OD1 3.42Å; K150-D153 IonicContact NZ-OD1 3.76Å; K150-D153 PolarHBondContact NZ-OD1 3.07Å; K150-T154 CarbonylContact C-O 3.57Å; K150-T154 WeakPolarHBondContact CA-O 3.44Å; K150-Y155 HydrophobicContact CB-CD1 3.93Å; K150-Y155 HydrophobicContact CB-CE1 3.7Å; K150-Y155 HydrophobicContact CD-CE1 4.12Å; K150-Y155 HydrophobicContact CG-CD1 4.27Å; K150-Y155 HydrophobicContact CG-CE1 3.89Å |
| 151 | Y | 77.3 | Confident | 84.2 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 29% | 0.29 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131.8 | 172.5 | 177.3 | -101.6 | 0 | 0 | 0 | 110 | D153 T154 F156 F203 M258 | Y151-D153 VanDerWaalsContact C-N 3.27Å; Y151-D153 PolarHBondContact O-N 2.87Å; Y151-T154 PolarHBondContact N-O 3.06Å; Y151-T154 PolarHBondContact O-N 2.92Å; Y151-T154 VanDerWaalsContact O-O 3.13Å; Y151-F156 HydrophobicContact CD1-CE2 4.31Å; Y151-F156 WeakPolarHBondContact O-CE2 3.49Å; Y151-F203 HydrophobicContact CD1-CD1 4.4Å; Y151-F203 AromaticContact CD1-CE1 3.9Å; Y151-F203 HydrophobicContact CD1-CE1 3.9Å; Y151-F203 HydrophobicContact CG-CE1 4.08Å; Y151-M258 HydrophobicContact CD1-CE 3.6Å; Y151-M258 HydrophobicContact CD2-CE 4.04Å; Y151-M258 HydrophobicContact CD2-CG 3.9Å; Y151-M258 HydrophobicContact CD2-SD 4.11Å; Y151-M258 HydrophobicContact CE1-CE 3.61Å; Y151-M258 HydrophobicContact CE1-CG 4.32Å; Y151-M258 HydrophobicContact CE2-CE 4.08Å; Y151-M258 HydrophobicContact CE2-CG 3.34Å; Y151-M258 HydrophobicContact CE2-SD 4.14Å; Y151-M258 HydrophobicContact CG-CE 3.81Å; Y151-M258 HydrophobicContact CG-SD 4.39Å |
| 152 | N | 76.7 | Confident | 84.5 | Confident | 138 Ų | 138 | 56.2 Ų | 56.2 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 50.5 | -177.3 | -156.4 | 38 | 0 | 0 | 0 | 113 | T154 | N152-T154 PolarHBondContact O-N 2.92Å; N152-T154 PolarHBondContact O-OG1 3.03Å |
| 153 | D | 79 | Confident | 84.7 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 66% | 0.663 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 11 | -176.8 | -64.8 | -50.1 | 0 | 0 | 0 | 117.3 | K150 Y151 | K150-D153 WeakPolarHBondContact CE-OD1 3.42Å; K150-D153 IonicContact NZ-OD1 3.76Å; K150-D153 PolarHBondContact NZ-OD1 3.07Å; Y151-D153 VanDerWaalsContact C-N 3.27Å; Y151-D153 PolarHBondContact O-N 2.87Å |
| 154 | T | 81.1 | Confident | 84.7 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.9 | 175.4 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | K150 Y151 N152 F156 | K150-T154 CarbonylContact C-O 3.57Å; K150-T154 WeakPolarHBondContact CA-O 3.44Å; Y151-T154 PolarHBondContact N-O 3.06Å; Y151-T154 PolarHBondContact O-N 2.92Å; Y151-T154 VanDerWaalsContact O-O 3.13Å; N152-T154 PolarHBondContact O-N 2.92Å; N152-T154 PolarHBondContact O-OG1 3.03Å; T154-F156 HydrophobicContact CG2-CE1 3.91Å; T154-F156 HydrophobicContact CG2-CE2 3.86Å; T154-F156 HydrophobicContact CG2-CZ 3.53Å; T154-F156 WeakPolarHBondContact O-CD2 3.49Å; T154-F156 WeakPolarHBondContact O-CE2 3.44Å |
| 155 | Y | 86.3 | Confident | 84.6 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 37% | 0.365 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.7 | 177.8 | -69.2 | -83.3 | 0 | 0 | 0 | 110.5 | Y130 I148 K150 | Y130-Y155 HydrophobicContact CD1-CE1 4.1Å; Y130-Y155 HydrophobicContact CD2-CD1 4.44Å; Y130-Y155 AromaticContact CD2-CE1 3.85Å; Y130-Y155 HydrophobicContact CD2-CE1 3.85Å; Y130-Y155 HydrophobicContact CE1-CD1 4.37Å; Y130-Y155 AromaticContact CE1-CE1 3.72Å; Y130-Y155 HydrophobicContact CE1-CE1 3.72Å; Y130-Y155 AromaticContact CE2-CD1 3.67Å; Y130-Y155 HydrophobicContact CE2-CD1 3.67Å; Y130-Y155 AromaticContact CE2-CE1 3.45Å; Y130-Y155 HydrophobicContact CE2-CE1 3.45Å; Y130-Y155 VanDerWaalsContact CE2-CE1 3.45Å; Y130-Y155 HydrophobicContact CG-CE1 4.16Å; Y130-Y155 AromaticContact CZ-CD1 3.63Å; Y130-Y155 AromaticContact CZ-CE1 3.38Å; I148-Y155 HydrophobicContact CG2-CD1 3.94Å; I148-Y155 HydrophobicContact CG2-CG 4.34Å; K150-Y155 HydrophobicContact CB-CD1 3.93Å; K150-Y155 HydrophobicContact CB-CE1 3.7Å; K150-Y155 HydrophobicContact CD-CE1 4.12Å; K150-Y155 HydrophobicContact CG-CD1 4.27Å; K150-Y155 HydrophobicContact CG-CE1 3.89Å |
| 156 | F | 86.2 | Confident | 84.1 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.8 | -179.2 | -58.7 | -83.6 | 0 | 0 | 0 | 110.1 | I148 L149 Y151 T154 L201 Q202 F203 | I148-F156 CarbonylContact C-O 3.51Å; I148-F156 VanDerWaalsContact CA-O 3.31Å; I148-F156 WeakPolarHBondContact CA-O 3.43Å; L149-F156 PolarHBondContact N-O 3.29Å; L149-F156 PolarHBondContact O-N 3.07Å; Y151-F156 HydrophobicContact CD1-CE2 4.31Å; Y151-F156 WeakPolarHBondContact O-CE2 3.49Å; T154-F156 HydrophobicContact CG2-CE1 3.91Å; T154-F156 HydrophobicContact CG2-CE2 3.86Å; T154-F156 HydrophobicContact CG2-CZ 3.53Å; T154-F156 WeakPolarHBondContact O-CD2 3.49Å; T154-F156 WeakPolarHBondContact O-CE2 3.44Å; F156-L201 HydrophobicContact CB-CB 4.02Å; F156-L201 HydrophobicContact CB-CD1 4.43Å; F156-Q202 VanDerWaalsContact CD1-O 3.3Å; F156-Q202 WeakPolarHBondContact CD1-O 3.42Å; F156-F203 HydrophobicContact CB-CE1 4.42Å; F156-F203 HydrophobicContact CB-CZ 4.48Å; F156-F203 AromaticContact CD1-CD1 3.84Å; F156-F203 HydrophobicContact CD1-CD1 3.84Å; F156-F203 HydrophobicContact CD1-CE1 4.19Å; F156-F203 HydrophobicContact CD1-CG 4.25Å; F156-F203 AromaticContact CD2-CD1 3.81Å; F156-F203 HydrophobicContact CD2-CD1 3.81Å; F156-F203 AromaticContact CD2-CE1 3.35Å; F156-F203 HydrophobicContact CD2-CE1 3.35Å; F156-F203 HydrophobicContact CD2-CZ 4.07Å; F156-F203 AromaticContact CE1-CD1 3.74Å; F156-F203 HydrophobicContact CE1-CD1 3.74Å; F156-F203 HydrophobicContact CE1-CE1 4.31Å; F156-F203 HydrophobicContact CE1-CG 4.36Å; F156-F203 AromaticContact CE2-CD1 3.7Å; F156-F203 HydrophobicContact CE2-CD1 3.7Å; F156-F203 AromaticContact CE2-CE1 3.5Å; F156-F203 HydrophobicContact CE2-CE1 3.5Å; F156-F203 AromaticContact CG-CD1 3.87Å; F156-F203 HydrophobicContact CG-CD1 3.87Å; F156-F203 AromaticContact CG-CE1 3.72Å; F156-F203 HydrophobicContact CG-CE1 3.72Å; F156-F203 HydrophobicContact CG-CG 4.45Å; F156-F203 HydrophobicContact CG-CZ 4.24Å; F156-F203 AromaticContact CZ-CD1 3.65Å; F156-F203 HydrophobicContact CZ-CD1 3.65Å; F156-F203 AromaticContact CZ-CE1 3.98Å; F156-F203 HydrophobicContact CZ-CE1 3.98Å |
| 157 | K | 86.9 | Confident | 83.9 | Confident | 102 Ų | 102 | 67 Ų | 67 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 168 | 171.7 | 64.5 | 175 | -176.6 | 172.5 | 0 | 110.5 | I148 L201 Q202 | I148-K157 HydrophobicContact CG1-CB 4.32Å; K157-L201 WeakPolarHBondContact O-CD2 3.47Å; K157-Q202 PolarHBondContact O-N 3.03Å |
| 158 | W | 84.7 | Confident | 83.7 | Confident | 9 Ų | 9 | 74.3 Ų | 74.3 | 3% | 0.034 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -57.9 | 144.5 | 171.1 | -73.2 | -40.9 | 0 | 0 | 0 | 111.7 | L145 M147 H160 V162 Y183 V185 K193 L201 | L145-W158 HydrophobicContact CG-CH2 4.47Å; L145-W158 HydrophobicContact CG-CZ3 4.26Å; L145-W158 WeakPolarHBondContact O-CZ3 3.38Å; M147-W158 HydrophobicContact CB-CD2 4.08Å; M147-W158 HydrophobicContact CB-CE3 4.21Å; M147-W158 HydrophobicContact CB-CH2 3.56Å; M147-W158 HydrophobicContact CB-CZ2 3.39Å; M147-W158 HydrophobicContact CB-CZ3 3.98Å; M147-W158 HydrophobicContact CE-CZ2 3.92Å; M147-W158 HydrophobicContact CG-CZ2 4.07Å; M147-W158 HydrophobicContact SD-CH2 4.47Å; M147-W158 HydrophobicContact SD-CZ2 3.56Å; M147-W158 VanDerWaalsContact SD-CZ2 3.56Å; W158-H160 WeakPolarHBondContact CB-O 3.34Å; W158-H160 PolarHBondContact O-N 2.84Å; W158-V162 HydrophobicContact CD2-CG2 4.31Å; W158-V162 HydrophobicContact CE3-CB 4.18Å; W158-V162 HydrophobicContact CE3-CG2 3.57Å; W158-V162 HydrophobicContact CH2-CG2 4.25Å; W158-V162 HydrophobicContact CZ3-CB 3.83Å; W158-V162 HydrophobicContact CZ3-CG2 3.51Å; W158-Y183 AromaticContact CE2-CE2 3.94Å; W158-Y183 AromaticContact CZ2-CE2 3.7Å; W158-Y183 HydrophobicContact CZ2-CE2 3.7Å; W158-Y183 AromaticContact NE1-CE2 3.62Å; W158-Y183 AromaticContact NE1-CZ 3.38Å; W158-Y183 PolarHBondContact NE1-OH 2.67Å; W158-V185 HydrophobicContact CH2-CG1 4.44Å; W158-V185 HydrophobicContact CH2-CG2 3.79Å; W158-V185 HydrophobicContact CZ2-CG2 3.67Å; W158-K193 HydrophobicContact CD2-CD 4.11Å; W158-K193 HydrophobicContact CE3-CD 4.43Å; W158-K193 HydrophobicContact CH2-CD 4.44Å; W158-K193 HydrophobicContact CZ2-CD 4.1Å; W158-L201 HydrophobicContact CG-CD2 4.47Å |
| 159 | A | 71.4 | Confident | 83.6 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -65.6 | -23.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D200 Q202 | A159-D200 PolarHBondContact N-O 3Å; A159-D200 VanDerWaalsContact N-O 3.07Å; A159-Q202 HydrophobicContact CB-CG 3.92Å |
| 160 | H | 74.4 | Confident | 83.6 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -134.1 | 139.1 | -179.9 | -58.2 | 85.6 | 0 | 0 | 0 | 110.4 | W158 | W158-H160 WeakPolarHBondContact CB-O 3.34Å; W158-H160 PolarHBondContact O-N 2.84Å |
| 161 | D | 81.7 | Confident | 83.9 | Confident | 112 Ų | 112 | 79.4 Ų | 79.4 | 60% | 0.599 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 139.1 | 179.9 | -65.2 | -24.3 | 0 | 0 | 0 | 111.8 | V144 | V144-D161 HydrophobicContact CB-CB 4.48Å; V144-D161 HydrophobicContact CG1-CB 3.73Å |
| 162 | V | 85.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 12% | 0.121 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.4 | 171.1 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | V144 L145 W158 C164 V192 K193 | V144-V162 CarbonylContact C-O 3.49Å; V144-V162 WeakPolarHBondContact CA-O 3.41Å; L145-V162 HydrophobicContact CB-CB 4.15Å; L145-V162 HydrophobicContact CB-CG1 4.18Å; L145-V162 HydrophobicContact CD2-CG1 4.2Å; L145-V162 PolarHBondContact N-O 2.95Å; W158-V162 HydrophobicContact CD2-CG2 4.31Å; W158-V162 HydrophobicContact CE3-CB 4.18Å; W158-V162 HydrophobicContact CE3-CG2 3.57Å; W158-V162 HydrophobicContact CH2-CG2 4.25Å; W158-V162 HydrophobicContact CZ3-CB 3.83Å; W158-V162 HydrophobicContact CZ3-CG2 3.51Å; V162-C164 PolarHBondContact O-N 2.77Å; V162-V192 HydrophobicContact CG1-CG2 4.43Å; V162-K193 HydrophobicContact CG2-CB 4.4Å; V162-K193 HydrophobicContact CG2-CD 3.33Å; V162-K193 HydrophobicContact CG2-CG 4.47Å |
| 163 | K | 88.5 | Confident | 85.7 | Confident | 192 Ų | 192 | 69.4 Ų | 69.4 | 84% | 0.835 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 129.6 | 177.3 | -68.6 | -173.9 | 178.3 | -178.3 | 0 | 110.3 | K143 | K143-K163 WeakPolarHBondContact O-CA 3.41Å |
| 164 | C | 87.7 | Confident | 86.5 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 10% | 0.101 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 168.1 | 170.2 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | P136 K143 L145 V162 | P136-C164 HydrophobicContact CB-CB 3.84Å; K143-C164 VanDerWaalsContact C-SG 3.57Å; K143-C164 PolarHBondContact O-N 2.77Å; L145-C164 HydrophobicContact CB-CB 4.02Å; V162-C164 PolarHBondContact O-N 2.77Å |
| 165 | K | 88.4 | Confident | 87.2 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 137 | 167.5 | -63.4 | -75 | -171.5 | 173.4 | 0 | 108.8 | H171 Y173 V187 | K165-H171 HydrophobicContact CB-CB 4.37Å; K165-H171 WeakPolarHBondContact CB-CD2 3.17Å; K165-H171 WeakPolarHBondContact CB-NE2 3.21Å; K165-Y173 PolarHBondContact N-OH 2.82Å; K165-V187 HydrophobicContact CG-CG1 3.83Å |
| 166 | S | 82.6 | Confident | 87.5 | Confident | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | trans | -131 | 15.5 | -177.4 | 82.8 | 0 | 0 | 0 | 0 | 112.9 | K143 | K143-S166 PolarHBondContact NZ-OG 3.02Å; K143-S166 VanDerWaalsContact NZ-OG 3.07Å | ||
| 167 | D | 86.8 | Confident | 87.7 | Confident | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -80.4 | -178.9 | 170.7 | 66.1 | 55.4 | 0 | 0 | 0 | 109.7 | L169 H171 | D167-L169 VanDerWaalsContact C-N 3.32Å; D167-L169 WeakPolarHBondContact OD1-CA 3.32Å; D167-L169 WeakPolarHBondContact OD1-CB 3.39Å; D167-L169 WeakPolarHBondContact OD1-CG 3.36Å; D167-L169 PolarHBondContact OD1-N 2.96Å; D167-H171 VanDerWaalsContact CG-NE2 3.32Å; D167-H171 IonicContact OD1-CD2 3.78Å; D167-H171 IonicContact OD1-CE1 3.74Å; D167-H171 IonicContact OD1-NE2 3.47Å; D167-H171 PolarHBondContact OD1-NE2 2.85Å; D167-H171 IonicContact OD2-CE1 2.71Å; D167-H171 IonicContact OD2-NE2 3.95Å; D167-H171 PolarHBondContact OD2-NE2 2.81Å |
| 168 | R | 87.3 | Confident | 87.5 | Confident | 155 Ų | 155 | 51.3 Ų | 51.3 | 59% | 0.585 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -89.7 | 2.3 | -176.3 | -64.1 | -175.5 | -68.7 | 174.6 | -0.8 | 113 | F57 H101 | F57-R168 WeakPolarHBondContact CE2-O 3.42Å; F57-R168 HydrophobicContact CZ-CB 3.95Å; F57-R168 WeakPolarHBondContact CZ-O 3.44Å; H101-R168 WeakPolarHBondContact O-CA 3.41Å; H101-R168 WeakPolarHBondContact O-CB 3.41Å |
| 169 | L | 88.2 | Confident | 87.2 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 56% | 0.56 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -79.3 | 164 | -179.1 | -54.9 | 176.8 | 0 | 0 | 0 | 110.7 | D167 H171 | D167-L169 VanDerWaalsContact C-N 3.32Å; D167-L169 WeakPolarHBondContact OD1-CA 3.32Å; D167-L169 WeakPolarHBondContact OD1-CB 3.39Å; D167-L169 WeakPolarHBondContact OD1-CG 3.36Å; D167-L169 PolarHBondContact OD1-N 2.96Å; L169-H171 PolarHBondContact O-CD2 3.26Å |
| 170 | T | 89.1 | Confident | 87.1 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.8 | 174.2 | -53.8 | 0 | 0 | 0 | 0 | 109.4 | V99 K100 W302 | V99-T170 WeakPolarHBondContact O-CA 3.41Å; K100-T170 HydrophobicContact CB-CG2 4.45Å; T170-W302 PolarHBondContact O-NE1 3.34Å |
| 171 | H | 92.4 | Very high | 87.2 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 6% | 0.06 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.7 | 175.5 | -69.2 | -69.7 | 0 | 0 | 0 | 111.7 | S98 V99 K165 D167 L169 Y173 D188 | S98-H171 CarbonylContact C-O 3.59Å; S98-H171 VanDerWaalsContact CA-O 3.26Å; S98-H171 WeakPolarHBondContact CA-O 3.5Å; V99-H171 PolarHBondContact N-O 3.48Å; V99-H171 PolarHBondContact O-N 2.96Å; K165-H171 HydrophobicContact CB-CB 4.37Å; K165-H171 WeakPolarHBondContact CB-CD2 3.17Å; K165-H171 WeakPolarHBondContact CB-NE2 3.21Å; D167-H171 VanDerWaalsContact CG-NE2 3.32Å; D167-H171 IonicContact OD1-CD2 3.78Å; D167-H171 IonicContact OD1-CE1 3.74Å; D167-H171 IonicContact OD1-NE2 3.47Å; D167-H171 PolarHBondContact OD1-NE2 2.85Å; D167-H171 IonicContact OD2-CE1 2.71Å; D167-H171 IonicContact OD2-NE2 3.95Å; D167-H171 PolarHBondContact OD2-NE2 2.81Å; L169-H171 PolarHBondContact O-CD2 3.26Å; H171-Y173 HydrophobicContact CB-CD2 4.48Å; H171-Y173 HydrophobicContact CB-CE2 3.74Å; H171-D188 WeakPolarHBondContact CA-OD1 3.46Å; H171-D188 IonicContact CE1-OD2 2.78Å; H171-D188 IonicContact CG-OD1 2.63Å; H171-D188 IonicContact CG-OD2 3.8Å; H171-D188 IonicContact ND1-OD1 3.72Å; H171-D188 PolarHBondContact ND1-OD1 3.02Å; H171-D188 IonicContact ND1-OD2 3.97Å; H171-D188 PolarHBondContact ND1-OD2 2.82Å |
| 172 | L | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.7 | 175.8 | -175.5 | 75.8 | 0 | 0 | 0 | 109.7 | Q96 V187 D188 L189 A298 W302 | Q96-L172 HydrophobicContact CG-CD1 3.76Å; Q96-L172 HydrophobicContact CG-CG 4.26Å; L172-V187 CarbonylContact O-C 3.52Å; L172-V187 VanDerWaalsContact O-CA 3.31Å; L172-V187 WeakPolarHBondContact O-CA 3.36Å; L172-D188 PolarHBondContact N-OD1 3.11Å; L172-D188 PolarHBondContact O-N 3.27Å; L172-L189 HydrophobicContact CD2-CD2 3.81Å; L172-L189 HydrophobicContact CD2-CG 4.06Å; L172-A298 HydrophobicContact CD2-CB 3.47Å; L172-A298 VanDerWaalsContact CD2-CB 3.47Å; L172-W302 HydrophobicContact CB-CD2 4Å; L172-W302 HydrophobicContact CB-CE3 4.44Å; L172-W302 HydrophobicContact CB-CG 4.24Å; L172-W302 HydrophobicContact CB-CZ2 4.48Å; L172-W302 HydrophobicContact CD2-CE3 4.39Å |
| 173 | Y | 96.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.5 | 175.9 | -64.5 | -87.8 | 0 | 0 | 0 | 109.7 | Q96 F97 V99 P136 L145 K165 H171 V187 | Q96-Y173 VanDerWaalsContact CA-O 3.32Å; Q96-Y173 WeakPolarHBondContact CA-O 3.47Å; F97-Y173 PolarHBondContact N-O 2.81Å; F97-Y173 PolarHBondContact O-N 2.94Å; V99-Y173 HydrophobicContact CB-CD2 4.48Å; V99-Y173 HydrophobicContact CB-CE2 4.23Å; V99-Y173 HydrophobicContact CG2-CD2 4.32Å; V99-Y173 HydrophobicContact CG2-CE2 4.48Å; P136-Y173 HydrophobicContact CG-CE1 4.47Å; P136-Y173 HydrophobicContact CG-CE2 3.85Å; L145-Y173 HydrophobicContact CD1-CD1 3.69Å; L145-Y173 HydrophobicContact CD1-CE1 3.87Å; L145-Y173 HydrophobicContact CD2-CD1 4.26Å; L145-Y173 HydrophobicContact CD2-CE1 4.41Å; K165-Y173 PolarHBondContact N-OH 2.82Å; H171-Y173 HydrophobicContact CB-CD2 4.48Å; H171-Y173 HydrophobicContact CB-CE2 3.74Å; Y173-V187 HydrophobicContact CD1-CG2 3.84Å; Y173-V187 HydrophobicContact CE1-CG1 4.31Å; Y173-V187 HydrophobicContact CE1-CG2 3.89Å |
| 174 | T | 97 | Very high | 87.7 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 125.4 | 177 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | V94 I95 Q96 V176 V185 L186 | V94-T174 HydrophobicContact CG1-CG2 3.83Å; I95-T174 CarbonylContact O-C 3.54Å; I95-T174 WeakPolarHBondContact O-CA 3.16Å; Q96-T174 HydrophobicContact CB-CG2 4.17Å; Q96-T174 HydrophobicContact CG-CG2 4.49Å; Q96-T174 WeakPolarHBondContact CG-OG1 3.41Å; Q96-T174 PolarHBondContact OE1-OG1 2.9Å; T174-V176 HydrophobicContact CG2-CG2 4.07Å; T174-V185 CarbonylContact O-C 3.47Å; T174-V185 WeakPolarHBondContact O-CA 3.11Å; T174-L186 HydrophobicContact CG2-CD1 4.25Å; T174-L186 PolarHBondContact N-O 2.86Å; T174-L186 PolarHBondContact O-N 3.13Å |
| 175 | L | 95.7 | Very high | 88 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.9 | 168.9 | 170.4 | 61.7 | 0 | 0 | 0 | 108.5 | V94 I95 I132 F134 M147 I177 Y183 V185 | V94-L175 CarbonylContact C-O 3.42Å; V94-L175 WeakPolarHBondContact CA-O 3.34Å; I95-L175 HydrophobicContact CB-CB 4.45Å; I95-L175 HydrophobicContact CD1-CD2 4.16Å; I95-L175 PolarHBondContact N-O 3.03Å; I95-L175 PolarHBondContact O-N 3.21Å; I132-L175 HydrophobicContact CG2-CD2 3.9Å; F134-L175 HydrophobicContact CB-CD2 4.02Å; F134-L175 HydrophobicContact CD1-CB 3.56Å; F134-L175 HydrophobicContact CD1-CD2 4.26Å; F134-L175 HydrophobicContact CD2-CB 4.09Å; F134-L175 HydrophobicContact CD2-CD2 4.08Å; F134-L175 HydrophobicContact CE1-CB 3.48Å; F134-L175 VanDerWaalsContact CE1-CB 3.48Å; F134-L175 HydrophobicContact CE2-CB 4Å; F134-L175 HydrophobicContact CG-CB 3.9Å; F134-L175 HydrophobicContact CG-CD2 3.85Å; F134-L175 HydrophobicContact CZ-CB 3.71Å; M147-L175 HydrophobicContact CG-CD2 4.12Å; M147-L175 HydrophobicContact SD-CD1 3.59Å; M147-L175 VanDerWaalsContact SD-CD1 3.59Å; M147-L175 HydrophobicContact SD-CD2 4.09Å; L175-I177 HydrophobicContact CD1-CG1 4Å; L175-I177 HydrophobicContact CD2-CD1 4.21Å; L175-I177 HydrophobicContact CD2-CG1 4.37Å; L175-I177 HydrophobicContact CG-CD1 4.43Å; L175-I177 HydrophobicContact CG-CG1 4.05Å; L175-Y183 HydrophobicContact CD1-CD2 4.26Å; L175-V185 HydrophobicContact CD1-CG2 3.88Å |
| 176 | V | 93.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.8 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | L93 V94 T174 H178 Y183 K184 L186 E291 | L93-V176 CarbonylContact O-C 3.42Å; L93-V176 WeakPolarHBondContact O-CA 3.38Å; V94-V176 HydrophobicContact CG1-CG2 4.19Å; V94-V176 HydrophobicContact CG2-CG1 4.23Å; V94-V176 HydrophobicContact CG2-CG2 4.33Å; T174-V176 HydrophobicContact CG2-CG2 4.07Å; V176-H178 WeakPolarHBondContact CG1-CE1 3.35Å; V176-Y183 CarbonylContact O-C 3.51Å; V176-Y183 WeakPolarHBondContact O-CA 3.17Å; V176-Y183 WeakPolarHBondContact O-CB 3.46Å; V176-K184 HydrophobicContact CB-CB 4.36Å; V176-K184 PolarHBondContact N-O 3.21Å; V176-K184 PolarHBondContact O-N 3.27Å; V176-L186 HydrophobicContact CG2-CD1 4.1Å; V176-E291 HydrophobicContact CG2-CG 4.17Å |
| 177 | I | 89.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.5 | 170.1 | -52.4 | 176.6 | 0 | 0 | 0 | 108.5 | S92 L93 I132 L149 L175 L197 Y263 | S92-I177 CarbonylContact C-O 3.58Å; S92-I177 VanDerWaalsContact CA-O 3.32Å; S92-I177 WeakPolarHBondContact CA-O 3.33Å; S92-I177 WeakPolarHBondContact CB-O 3.21Å; L93-I177 HydrophobicContact CB-CB 4.41Å; L93-I177 PolarHBondContact N-O 3.16Å; L93-I177 PolarHBondContact O-N 3.04Å; I132-I177 HydrophobicContact CD1-CD1 3.68Å; L149-I177 HydrophobicContact CD1-CD1 4.26Å; L175-I177 HydrophobicContact CD1-CG1 4Å; L175-I177 HydrophobicContact CD2-CD1 4.21Å; L175-I177 HydrophobicContact CD2-CG1 4.37Å; L175-I177 HydrophobicContact CG-CD1 4.43Å; L175-I177 HydrophobicContact CG-CG1 4.05Å; I177-L197 HydrophobicContact CG2-CD1 3.51Å; I177-Y263 WeakPolarHBondContact CG2-OH 3.29Å |
| 178 | H | 83.9 | Confident | 89 | Confident | 25 Ų | 25 | 30.5 Ų | 30.5 | 12% | 0.116 | 15% | 0.147 | C | C | . | . | trans | -81.2 | 152.6 | 178.5 | -60.1 | -67.5 | 0 | 0 | 0 | 110.4 | S92 V176 N180 L181 T182 K184 E291 | S92-H178 PolarHBondContact OG-ND1 3.39Å; V176-H178 WeakPolarHBondContact CG1-CE1 3.35Å; H178-N180 WeakPolarHBondContact CB-OD1 3.36Å; H178-N180 PolarHBondContact O-N 2.88Å; H178-L181 PolarHBondContact O-N 2.93Å; H178-L181 VanDerWaalsContact O-N 3.09Å; H178-T182 WeakPolarHBondContact CB-O 3.01Å; H178-T182 PolarHBondContact CD2-OG1 3.07Å; H178-T182 PolarHBondContact N-O 3.32Å; H178-K184 WeakPolarHBondContact NE2-CE 3.42Å; H178-E291 IonicContact CE1-OE2 3.62Å; H178-E291 PolarHBondContact CE1-OE2 2.94Å | ||
| 179 | Q | 76.8 | Confident | 89.2 | Confident | 109 Ų | 109 | 25 Ų | 25 | 51% | 0.509 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.7 | 175.1 | -68.7 | 179.4 | -28.3 | 0 | 0 | 113.1 | L89 S90 G91 L181 | L89-Q179 PolarHBondContact O-NE2 2.98Å; S90-Q179 PolarHBondContact O-NE2 2.97Å; G91-Q179 WeakPolarHBondContact O-CG 3.44Å; Q179-L181 PolarHBondContact O-N 3.14Å |
| 180 | N | 69.2 | Low | 89.3 | Confident | 33 Ų | 33 | 27.5 Ų | 27.5 | 18% | 0.176 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 14.4 | -175.3 | 84.7 | -14.8 | 0 | 0 | 0 | 112.8 | H178 T182 W368 | H178-N180 WeakPolarHBondContact CB-OD1 3.36Å; H178-N180 PolarHBondContact O-N 2.88Å; N180-T182 PolarHBondContact O-N 3.08Å; N180-T182 WeakPolarHBondContact OD1-CB 3.46Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.31Å; N180-T182 PolarHBondContact OD1-N 2.86Å; N180-T182 PolarHBondContact OD1-OG1 2.94Å; N180-W368 HydrophobicContact CB-CZ2 3.55Å; N180-W368 PolarHBondContact ND2-NE1 3.19Å; N180-W368 VanDerWaalsContact ND2-NE1 3.15Å; N180-W368 PolarHBondContact O-NE1 3.31Å |
| 181 | L | 77.4 | Confident | 89.4 | Confident | 17 Ų | 17 | 28.8 Ų | 28.8 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 65.5 | 5 | -178.1 | -46.8 | -177.7 | 0 | 0 | 0 | 115.5 | H178 Q179 L196 L197 L198 M258 L260 | H178-L181 PolarHBondContact O-N 2.93Å; H178-L181 VanDerWaalsContact O-N 3.09Å; Q179-L181 PolarHBondContact O-N 3.14Å; L181-L196 HydrophobicContact CB-CD1 4.12Å; L181-L197 WeakPolarHBondContact O-CB 3.37Å; L181-L197 WeakPolarHBondContact O-CG 3.36Å; L181-L197 PolarHBondContact O-N 2.94Å; L181-L198 HydrophobicContact CD1-CD1 3.36Å; L181-L198 HydrophobicContact CD1-CG 4.17Å; L181-M258 HydrophobicContact CD1-CB 3.83Å; L181-L260 HydrophobicContact CD2-CD1 3.16Å; L181-L260 HydrophobicContact CD2-CD2 3.85Å; L181-L260 HydrophobicContact CD2-CG 3.43Å; L181-L260 VanDerWaalsContact CD2-CG 3.43Å |
| 182 | T | 83.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 14% | 0.141 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 152.1 | 167.9 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | H178 N180 G195 L196 | H178-T182 WeakPolarHBondContact CB-O 3.01Å; H178-T182 PolarHBondContact CD2-OG1 3.07Å; H178-T182 PolarHBondContact N-O 3.32Å; N180-T182 PolarHBondContact O-N 3.08Å; N180-T182 WeakPolarHBondContact OD1-CB 3.46Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.31Å; N180-T182 PolarHBondContact OD1-N 2.86Å; N180-T182 PolarHBondContact OD1-OG1 2.94Å; T182-G195 CarbonylContact C-O 3.55Å; T182-G195 WeakPolarHBondContact CA-O 2.89Å; T182-L196 HydrophobicContact CG2-CD1 3.83Å |
| 183 | Y | 90.1 | Very high | 89 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.4 | 176.5 | 76.7 | -79.9 | 0 | 0 | 0 | 110.6 | M147 W158 L175 V176 V185 K193 S194 G195 L197 D200 | M147-Y183 HydrophobicContact CE-CD2 4.31Å; M147-Y183 HydrophobicContact CE-CE2 4.22Å; M147-Y183 HydrophobicContact SD-CD2 4.03Å; M147-Y183 HydrophobicContact SD-CE2 4.23Å; W158-Y183 AromaticContact CE2-CE2 3.94Å; W158-Y183 AromaticContact CZ2-CE2 3.7Å; W158-Y183 HydrophobicContact CZ2-CE2 3.7Å; W158-Y183 AromaticContact NE1-CE2 3.62Å; W158-Y183 AromaticContact NE1-CZ 3.38Å; W158-Y183 PolarHBondContact NE1-OH 2.67Å; L175-Y183 HydrophobicContact CD1-CD2 4.26Å; V176-Y183 CarbonylContact O-C 3.51Å; V176-Y183 WeakPolarHBondContact O-CA 3.17Å; V176-Y183 WeakPolarHBondContact O-CB 3.46Å; Y183-V185 HydrophobicContact CD2-CG2 3.91Å; Y183-V185 HydrophobicContact CE2-CG2 3.92Å; Y183-K193 HydrophobicContact CE2-CG 4.26Å; Y183-K193 WeakPolarHBondContact OH-CE 3.34Å; Y183-S194 CarbonylContact O-C 3.59Å; Y183-S194 WeakPolarHBondContact O-CA 3.01Å; Y183-S194 WeakPolarHBondContact O-CB 3.08Å; Y183-G195 VanDerWaalsContact CD1-O 3.29Å; Y183-G195 WeakPolarHBondContact CD1-O 3.28Å; Y183-G195 PolarHBondContact N-O 3.41Å; Y183-G195 PolarHBondContact O-N 2.92Å; Y183-L197 HydrophobicContact CD1-CD2 3.59Å; Y183-L197 HydrophobicContact CD1-CG 3.88Å; Y183-L197 HydrophobicContact CE1-CD2 4.26Å; Y183-L197 HydrophobicContact CG-CD2 3.84Å; Y183-L197 HydrophobicContact CG-CG 4.33Å; Y183-D200 HydrophobicContact CE1-CB 4.05Å; Y183-D200 PolarHBondContact OH-OD2 2.99Å |
| 184 | K | 92.6 | Very high | 88.7 | Confident | 50 Ų | 50 | 34.1 Ų | 34.1 | 22% | 0.217 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.1 | 170.1 | -55.9 | 176.8 | -163 | 156 | 0 | 109.1 | V176 H178 L186 I191 K193 E291 | V176-K184 HydrophobicContact CB-CB 4.36Å; V176-K184 PolarHBondContact N-O 3.21Å; V176-K184 PolarHBondContact O-N 3.27Å; H178-K184 WeakPolarHBondContact NE2-CE 3.42Å; K184-L186 HydrophobicContact CB-CD1 4.18Å; K184-I191 HydrophobicContact CD-CD1 4.32Å; K184-K193 CarbonylContact C-O 3.59Å; K184-E291 IonicContact NZ-OE1 2.79Å; K184-E291 PolarHBondContact NZ-OE1 3.38Å; K184-E291 VanDerWaalsContact NZ-OE1 3.12Å; K184-E291 IonicContact NZ-OE2 3.5Å; K184-E291 PolarHBondContact NZ-OE2 3.09Å |
| 185 | V | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.4 | 173 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | F134 L145 W158 T174 L175 Y183 I191 V192 K193 | F134-V185 HydrophobicContact CE2-CG1 3.82Å; F134-V185 HydrophobicContact CE2-CG2 4.38Å; F134-V185 HydrophobicContact CZ-CG1 3.91Å; L145-V185 HydrophobicContact CD2-CG1 3.59Å; W158-V185 HydrophobicContact CH2-CG1 4.44Å; W158-V185 HydrophobicContact CH2-CG2 3.79Å; W158-V185 HydrophobicContact CZ2-CG2 3.67Å; T174-V185 CarbonylContact O-C 3.47Å; T174-V185 WeakPolarHBondContact O-CA 3.11Å; L175-V185 HydrophobicContact CD1-CG2 3.88Å; Y183-V185 HydrophobicContact CD2-CG2 3.91Å; Y183-V185 HydrophobicContact CE2-CG2 3.92Å; V185-I191 WeakPolarHBondContact O-CA 3.46Å; V185-V192 HydrophobicContact CB-CG2 4.19Å; V185-V192 HydrophobicContact CG1-CG2 3.81Å; V185-V192 WeakPolarHBondContact O-CG2 3.47Å; V185-V192 PolarHBondContact O-N 3.38Å; V185-K193 HydrophobicContact CB-CB 4.34Å; V185-K193 PolarHBondContact N-O 2.92Å; V185-K193 PolarHBondContact O-N 3.34Å |
| 186 | L | 93.8 | Very high | 87.4 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.6 | 177.4 | -53.8 | 83.7 | 0 | 0 | 0 | 109.1 | T174 V176 K184 K190 I191 | T174-L186 HydrophobicContact CG2-CD1 4.25Å; T174-L186 PolarHBondContact N-O 2.86Å; T174-L186 PolarHBondContact O-N 3.13Å; V176-L186 HydrophobicContact CG2-CD1 4.1Å; K184-L186 HydrophobicContact CB-CD1 4.18Å; L186-K190 CarbonylContact C-O 3.57Å; L186-K190 WeakPolarHBondContact CA-O 3.43Å; L186-I191 HydrophobicContact CD2-CG1 4.23Å; L186-I191 HydrophobicContact CG-CG1 4.06Å |
| 187 | V | 93.4 | Very high | 86.8 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.7 | 166.5 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | L145 K165 L172 Y173 L189 K190 V192 | L145-V187 HydrophobicContact CD2-CG2 4.05Å; K165-V187 HydrophobicContact CG-CG1 3.83Å; L172-V187 CarbonylContact O-C 3.52Å; L172-V187 VanDerWaalsContact O-CA 3.31Å; L172-V187 WeakPolarHBondContact O-CA 3.36Å; Y173-V187 HydrophobicContact CD1-CG2 3.84Å; Y173-V187 HydrophobicContact CE1-CG1 4.31Å; Y173-V187 HydrophobicContact CE1-CG2 3.89Å; V187-L189 PolarHBondContact O-N 2.96Å; V187-K190 PolarHBondContact N-O 2.88Å; V187-K190 WeakPolarHBondContact O-CB 3.37Å; V187-K190 PolarHBondContact O-N 3.11Å; V187-V192 HydrophobicContact CB-CG1 3.81Å; V187-V192 HydrophobicContact CB-CG2 4.42Å; V187-V192 HydrophobicContact CG2-CB 4.46Å; V187-V192 HydrophobicContact CG2-CG1 3.93Å; V187-V192 HydrophobicContact CG2-CG2 3.7Å |
| 188 | D | 92.9 | Very high | 85.9 | Confident | 31 Ų | 31 | 38 Ų | 38 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 42.6 | -177.6 | -56 | -29.8 | 0 | 0 | 0 | 112.2 | H171 L172 K190 W302 | H171-D188 WeakPolarHBondContact CA-OD1 3.46Å; H171-D188 IonicContact CE1-OD2 2.78Å; H171-D188 IonicContact CG-OD1 2.63Å; H171-D188 IonicContact CG-OD2 3.8Å; H171-D188 IonicContact ND1-OD1 3.72Å; H171-D188 PolarHBondContact ND1-OD1 3.02Å; H171-D188 IonicContact ND1-OD2 3.97Å; H171-D188 PolarHBondContact ND1-OD2 2.82Å; L172-D188 PolarHBondContact N-OD1 3.11Å; L172-D188 PolarHBondContact O-N 3.27Å; D188-K190 PolarHBondContact O-N 3.09Å; D188-K190 VanDerWaalsContact O-N 3.16Å; D188-W302 HydrophobicContact CB-CH2 3.62Å; D188-W302 HydrophobicContact CB-CZ2 4.11Å; D188-W302 HydrophobicContact CB-CZ3 4.4Å; D188-W302 VanDerWaalsContact OD1-CZ2 3.3Å; D188-W302 WeakPolarHBondContact OD1-CZ2 3.47Å |
| 189 | L | 90.6 | Very high | 85.3 | Confident | 39 Ų | 39 | 42.5 Ų | 42.5 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 13.1 | -175.7 | -57.8 | 177.1 | 0 | 0 | 0 | 115.4 | L172 V187 A298 K299 Q303 | L172-L189 HydrophobicContact CD2-CD2 3.81Å; L172-L189 HydrophobicContact CD2-CG 4.06Å; V187-L189 PolarHBondContact O-N 2.96Å; L189-A298 HydrophobicContact CD1-CB 4.17Å; L189-A298 HydrophobicContact CD2-CB 3.75Å; L189-A298 HydrophobicContact CG-CB 4.35Å; L189-K299 HydrophobicContact CD1-CG 4.24Å; L189-Q303 HydrophobicContact CD1-CG 4.06Å |
| 190 | K | 91.1 | Very high | 85.3 | Confident | 159 Ų | 159 | 39.3 Ų | 39.3 | 69% | 0.691 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.1 | 172.9 | -63.6 | -179 | -179.7 | -179.9 | 0 | 109.8 | L186 V187 D188 V192 | L186-K190 CarbonylContact C-O 3.57Å; L186-K190 WeakPolarHBondContact CA-O 3.43Å; V187-K190 PolarHBondContact N-O 2.88Å; V187-K190 WeakPolarHBondContact O-CB 3.37Å; V187-K190 PolarHBondContact O-N 3.11Å; D188-K190 PolarHBondContact O-N 3.09Å; D188-K190 VanDerWaalsContact O-N 3.16Å; K190-V192 PolarHBondContact O-N 3.21Å |
| 191 | I | 89.9 | Confident | 85.5 | Confident | 73 Ų | 73 | 37.9 Ų | 37.9 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 118.3 | 175.4 | -60.5 | 171.3 | 0 | 0 | 0 | 108.4 | K184 V185 L186 L661 | K184-I191 HydrophobicContact CD-CD1 4.32Å; V185-I191 WeakPolarHBondContact O-CA 3.46Å; L186-I191 HydrophobicContact CD2-CG1 4.23Å; L186-I191 HydrophobicContact CG-CG1 4.06Å; I191-L661 HydrophobicContact CD1-CD2 4.34Å |
| 192 | V | 89.8 | Confident | 84.9 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 42% | 0.424 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -23.3 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | L145 V162 V185 V187 K190 | L145-V192 HydrophobicContact CD2-CG2 4.38Å; V162-V192 HydrophobicContact CG1-CG2 4.43Å; V185-V192 HydrophobicContact CB-CG2 4.19Å; V185-V192 HydrophobicContact CG1-CG2 3.81Å; V185-V192 WeakPolarHBondContact O-CG2 3.47Å; V185-V192 PolarHBondContact O-N 3.38Å; V187-V192 HydrophobicContact CB-CG1 3.81Å; V187-V192 HydrophobicContact CB-CG2 4.42Å; V187-V192 HydrophobicContact CG2-CB 4.46Å; V187-V192 HydrophobicContact CG2-CG1 3.93Å; V187-V192 HydrophobicContact CG2-CG2 3.7Å; K190-V192 PolarHBondContact O-N 3.21Å |
| 193 | K | 89.7 | Confident | 83.7 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 21% | 0.209 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 148.2 | 173.6 | -170 | 164.1 | -178 | 62.3 | 0 | 109.9 | W158 V162 Y183 K184 V185 | W158-K193 HydrophobicContact CD2-CD 4.11Å; W158-K193 HydrophobicContact CE3-CD 4.43Å; W158-K193 HydrophobicContact CH2-CD 4.44Å; W158-K193 HydrophobicContact CZ2-CD 4.1Å; V162-K193 HydrophobicContact CG2-CB 4.4Å; V162-K193 HydrophobicContact CG2-CD 3.33Å; V162-K193 HydrophobicContact CG2-CG 4.47Å; Y183-K193 HydrophobicContact CE2-CG 4.26Å; Y183-K193 WeakPolarHBondContact OH-CE 3.34Å; K184-K193 CarbonylContact C-O 3.59Å; V185-K193 HydrophobicContact CB-CB 4.34Å; V185-K193 PolarHBondContact N-O 2.92Å; V185-K193 PolarHBondContact O-N 3.34Å |
| 194 | S | 89.9 | Confident | 81.6 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 158.7 | 167.3 | 57.6 | 0 | 0 | 0 | 0 | 108.7 | Y183 R665 | Y183-S194 CarbonylContact O-C 3.59Å; Y183-S194 WeakPolarHBondContact O-CA 3.01Å; Y183-S194 WeakPolarHBondContact O-CB 3.08Å; S194-R665 PolarHBondContact O-NH1 2.99Å; S194-R665 PolarHBondContact O-NH2 3.37Å; S194-R665 PolarHBondContact OG-NH2 3.29Å |
| 195 | G | 84.9 | Confident | 78.8 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -166 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T182 Y183 D200 | T182-G195 CarbonylContact C-O 3.55Å; T182-G195 WeakPolarHBondContact CA-O 2.89Å; Y183-G195 VanDerWaalsContact CD1-O 3.29Å; Y183-G195 WeakPolarHBondContact CD1-O 3.28Å; Y183-G195 PolarHBondContact N-O 3.41Å; Y183-G195 PolarHBondContact O-N 2.92Å; G195-D200 WeakPolarHBondContact CA-OD2 2.96Å |
| 196 | L | 80.6 | Confident | 76 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.5 | 170 | -163.9 | 74.1 | 0 | 0 | 0 | 108.1 | L181 T182 L198 E199 D200 | L181-L196 HydrophobicContact CB-CD1 4.12Å; T182-L196 HydrophobicContact CG2-CD1 3.83Å; L196-L198 HydrophobicContact CD2-CB 4.24Å; L196-L198 HydrophobicContact CG-CB 4.42Å; L196-L198 PolarHBondContact O-N 3.37Å; L196-E199 HydrophobicContact CB-CB 4.36Å; L196-E199 HydrophobicContact CB-CG 4.36Å; L196-E199 HydrophobicContact CD2-CG 4.13Å; L196-E199 PolarHBondContact O-N 2.74Å; L196-D200 PolarHBondContact O-N 3.22Å |
| 197 | L | 79.2 | Confident | 73.1 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52 | -43.9 | -178.7 | -75.9 | 174.6 | 0 | 0 | 0 | 111.4 | M147 L149 I177 L181 Y183 E199 L201 F203 | M147-L197 HydrophobicContact CE-CD2 3.57Å; M147-L197 HydrophobicContact SD-CD2 4.47Å; L149-L197 HydrophobicContact CD1-CD1 4.11Å; L149-L197 HydrophobicContact CD1-CD2 4.4Å; I177-L197 HydrophobicContact CG2-CD1 3.51Å; L181-L197 WeakPolarHBondContact O-CB 3.37Å; L181-L197 WeakPolarHBondContact O-CG 3.36Å; L181-L197 PolarHBondContact O-N 2.94Å; Y183-L197 HydrophobicContact CD1-CD2 3.59Å; Y183-L197 HydrophobicContact CD1-CG 3.88Å; Y183-L197 HydrophobicContact CE1-CD2 4.26Å; Y183-L197 HydrophobicContact CG-CD2 3.84Å; Y183-L197 HydrophobicContact CG-CG 4.33Å; L197-E199 VanDerWaalsContact C-N 3.27Å; L197-E199 PolarHBondContact O-N 2.82Å; L197-L201 HydrophobicContact CB-CD1 4.31Å; L197-L201 HydrophobicContact CD2-CD1 3.76Å; L197-L201 HydrophobicContact CD2-CG 4.41Å; L197-L201 WeakPolarHBondContact O-CB 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.35Å; L197-F203 WeakPolarHBondContact O-CD2 3.41Å; L197-F203 VanDerWaalsContact O-CE2 3.31Å; L197-F203 WeakPolarHBondContact O-CE2 3.36Å |
| 198 | L | 71.3 | Confident | 70.2 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -29.3 | -179.3 | -79.3 | 160.9 | 0 | 0 | 0 | 114.6 | L181 L196 F203 P255 M258 | L181-L198 HydrophobicContact CD1-CD1 3.36Å; L181-L198 HydrophobicContact CD1-CG 4.17Å; L196-L198 HydrophobicContact CD2-CB 4.24Å; L196-L198 HydrophobicContact CG-CB 4.42Å; L196-L198 PolarHBondContact O-N 3.37Å; L198-F203 HydrophobicContact CD2-CD2 4.38Å; L198-P255 HydrophobicContact CD2-CB 4.36Å; L198-P255 HydrophobicContact CD2-CG 4.46Å; L198-M258 HydrophobicContact CD2-CB 4.4Å; L198-M258 HydrophobicContact CD2-CE 3.48Å; L198-M258 VanDerWaalsContact CD2-CE 3.48Å; L198-M258 HydrophobicContact CD2-SD 4.01Å; L198-M258 HydrophobicContact CG-CE 4.37Å; L198-M258 HydrophobicContact CG-SD 4.34Å |
| 199 | E | 71.5 | Confident | 67.3 | Low | 118 Ų | 118 | 80.1 Ų | 80.1 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -93.3 | -38.3 | -178 | -71.8 | -174.8 | -154.9 | 0 | 0 | 112.6 | L196 L197 K672 | L196-E199 HydrophobicContact CB-CB 4.36Å; L196-E199 HydrophobicContact CB-CG 4.36Å; L196-E199 HydrophobicContact CD2-CG 4.13Å; L196-E199 PolarHBondContact O-N 2.74Å; L197-E199 VanDerWaalsContact C-N 3.27Å; L197-E199 PolarHBondContact O-N 2.82Å; E199-K672 IonicContact OE2-NZ 3.97Å |
| 200 | D | 76.1 | Confident | 64.4 | Low | 42 Ų | 42 | 81.8 Ų | 81.8 | 23% | 0.225 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -88.7 | -27.7 | -171.7 | -79.3 | -13.1 | 0 | 0 | 0 | 113.4 | A159 Y183 G195 L196 | A159-D200 PolarHBondContact N-O 3Å; A159-D200 VanDerWaalsContact N-O 3.07Å; Y183-D200 HydrophobicContact CE1-CB 4.05Å; Y183-D200 PolarHBondContact OH-OD2 2.99Å; G195-D200 WeakPolarHBondContact CA-OD2 2.96Å; L196-D200 PolarHBondContact O-N 3.22Å |
| 201 | L | 73.2 | Confident | 61.5 | Low | 3 Ų | 3 | 81.3 Ų | 81.3 | 2% | 0.016 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 141.4 | 169 | -63.8 | 176.4 | 0 | 0 | 0 | 108.4 | M147 L149 F156 K157 W158 L197 F203 | M147-L201 HydrophobicContact CE-CD1 4.03Å; M147-L201 HydrophobicContact CE-CD2 3.65Å; M147-L201 HydrophobicContact CE-CG 4.02Å; L149-L201 HydrophobicContact CB-CD1 3.89Å; L149-L201 HydrophobicContact CD1-CD1 4.45Å; F156-L201 HydrophobicContact CB-CB 4.02Å; F156-L201 HydrophobicContact CB-CD1 4.43Å; K157-L201 WeakPolarHBondContact O-CD2 3.47Å; W158-L201 HydrophobicContact CG-CD2 4.47Å; L197-L201 HydrophobicContact CB-CD1 4.31Å; L197-L201 HydrophobicContact CD2-CD1 3.76Å; L197-L201 HydrophobicContact CD2-CG 4.41Å; L197-L201 WeakPolarHBondContact O-CB 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.35Å; L201-F203 HydrophobicContact CB-CD2 3.64Å; L201-F203 HydrophobicContact CB-CE2 3.49Å; L201-F203 VanDerWaalsContact CB-CE2 3.49Å; L201-F203 HydrophobicContact CB-CZ 4.32Å; L201-F203 HydrophobicContact CD1-CE2 3.69Å; L201-F203 HydrophobicContact CD1-CZ 4.01Å; L201-F203 HydrophobicContact CG-CE2 4.17Å; L201-F203 PolarHBondContact O-N 3.01Å |
| 202 | Q | 64.8 | Low | 58.7 | Low | 101 Ų | 101 | 86.7 Ų | 86.7 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | trans | -69.1 | 55.1 | -176.5 | -63.6 | 178.1 | -12 | 0 | 0 | 112.9 | F156 K157 A159 L204 | F156-Q202 VanDerWaalsContact CD1-O 3.3Å; F156-Q202 WeakPolarHBondContact CD1-O 3.42Å; K157-Q202 PolarHBondContact O-N 3.03Å; A159-Q202 HydrophobicContact CB-CG 3.92Å; Q202-L204 PolarHBondContact O-N 2.9Å | ||
| 203 | F | 59.1 | Low | 56.1 | Low | 32 Ų | 32 | 93 Ų | 93 | 14% | 0.14 | 48% | 0.484 | C | S | . | . | trans | -66.3 | -17 | -179.5 | -80 | -70.8 | 0 | 0 | 0 | 113.6 | L149 Y151 F156 L197 L198 L201 V205 M258 | L149-F203 HydrophobicContact CD2-CZ 4.41Å; Y151-F203 HydrophobicContact CD1-CD1 4.4Å; Y151-F203 AromaticContact CD1-CE1 3.9Å; Y151-F203 HydrophobicContact CD1-CE1 3.9Å; Y151-F203 HydrophobicContact CG-CE1 4.08Å; F156-F203 HydrophobicContact CB-CE1 4.42Å; F156-F203 HydrophobicContact CB-CZ 4.48Å; F156-F203 AromaticContact CD1-CD1 3.84Å; F156-F203 HydrophobicContact CD1-CD1 3.84Å; F156-F203 HydrophobicContact CD1-CE1 4.19Å; F156-F203 HydrophobicContact CD1-CG 4.25Å; F156-F203 AromaticContact CD2-CD1 3.81Å; F156-F203 HydrophobicContact CD2-CD1 3.81Å; F156-F203 AromaticContact CD2-CE1 3.35Å; F156-F203 HydrophobicContact CD2-CE1 3.35Å; F156-F203 HydrophobicContact CD2-CZ 4.07Å; F156-F203 AromaticContact CE1-CD1 3.74Å; F156-F203 HydrophobicContact CE1-CD1 3.74Å; F156-F203 HydrophobicContact CE1-CE1 4.31Å; F156-F203 HydrophobicContact CE1-CG 4.36Å; F156-F203 AromaticContact CE2-CD1 3.7Å; F156-F203 HydrophobicContact CE2-CD1 3.7Å; F156-F203 AromaticContact CE2-CE1 3.5Å; F156-F203 HydrophobicContact CE2-CE1 3.5Å; F156-F203 AromaticContact CG-CD1 3.87Å; F156-F203 HydrophobicContact CG-CD1 3.87Å; F156-F203 AromaticContact CG-CE1 3.72Å; F156-F203 HydrophobicContact CG-CE1 3.72Å; F156-F203 HydrophobicContact CG-CG 4.45Å; F156-F203 HydrophobicContact CG-CZ 4.24Å; F156-F203 AromaticContact CZ-CD1 3.65Å; F156-F203 HydrophobicContact CZ-CD1 3.65Å; F156-F203 AromaticContact CZ-CE1 3.98Å; F156-F203 HydrophobicContact CZ-CE1 3.98Å; L197-F203 WeakPolarHBondContact O-CD2 3.41Å; L197-F203 VanDerWaalsContact O-CE2 3.31Å; L197-F203 WeakPolarHBondContact O-CE2 3.36Å; L198-F203 HydrophobicContact CD2-CD2 4.38Å; L201-F203 HydrophobicContact CB-CD2 3.64Å; L201-F203 HydrophobicContact CB-CE2 3.49Å; L201-F203 VanDerWaalsContact CB-CE2 3.49Å; L201-F203 HydrophobicContact CB-CZ 4.32Å; L201-F203 HydrophobicContact CD1-CE2 3.69Å; L201-F203 HydrophobicContact CD1-CZ 4.01Å; L201-F203 HydrophobicContact CG-CE2 4.17Å; L201-F203 PolarHBondContact O-N 3.01Å; F203-V205 PolarHBondContact O-N 3.09Å; F203-M258 HydrophobicContact CD1-CE 3.56Å; F203-M258 HydrophobicContact CD2-CE 4.32Å; F203-M258 HydrophobicContact CE1-CE 3.11Å; F203-M258 HydrophobicContact CE1-SD 4.3Å; F203-M258 HydrophobicContact CE2-CE 3.89Å; F203-M258 HydrophobicContact CG-CE 4.16Å; F203-M258 HydrophobicContact CZ-CE 3.29Å; F203-M258 HydrophobicContact CZ-SD 3.96Å | ||
| 204 | L | 45.9 | Very low | 53.2 | Low | 159 Ų | 159 | 96.3 Ų | 96.3 | 83% | 0.832 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -89.8 | 103.8 | 177 | -62.6 | 173.4 | 0 | 0 | 0 | 109.7 | Q202 | Q202-L204 PolarHBondContact O-N 2.9Š|
| 205 | V | 34.7 | Very low | 50.5 | Low | 123 Ų | 123 | 102.9 Ų | 102.9 | 75% | 0.745 | 54% | 0.543 | S | S | * | . | trans | -57 | 133.7 | 165.8 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | F203 E207 | F203-V205 PolarHBondContact O-N 3.09Å; V205-E207 PolarHBondContact O-N 2.95Å | ||
| 206 | P | 34.5 | Very low | 47.8 | Very low | 113 Ų | 113 | 110.6 Ų | 110.6 | 73% | 0.734 | 58% | 0.575 | S | S | * | * | trans | -62.3 | 128.2 | 171.5 | -11.5 | 25 | 0 | 0 | 0 | 108.8 | S208 | P206-S208 PolarHBondContact O-N 2.96Š| ||
| 207 | E | 32.6 | Very low | 45.7 | Very low | 192 Ų | 192 | 114.8 Ų | 114.8 | 90% | 0.897 | 61% | 0.605 | S | S | * | * | trans | -54.4 | 112.6 | 169.2 | -78.2 | -179 | 162.9 | 0 | 0 | 108.7 | V205 K209 | V205-E207 PolarHBondContact O-N 2.95Å; E207-K209 PolarHBondContact O-N 2.8Å | ||
| 208 | S | 32.9 | Very low | 43.4 | Very low | 93 Ų | 93 | 123.5 Ų | 123.5 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | trans | -63.8 | 119.4 | 169.6 | 52.6 | 0 | 0 | 0 | 0 | 108.1 | P206 S210 | P206-S208 PolarHBondContact O-N 2.96Å; S208-S210 PolarHBondContact O-N 2.84Å | ||
| 209 | K | 30.2 | Very low | 41.8 | Very low | 217 Ų | 217 | 131 Ų | 131 | 94% | 0.943 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -66.4 | 81.1 | 164.1 | -73.6 | -177.3 | 175.5 | -179.6 | 0 | 109.4 | E207 | E207-K209 PolarHBondContact O-N 2.8Š|
| 210 | S | 30.7 | Very low | 40 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | trans | -165.1 | 146 | 162.4 | 53.5 | 0 | 0 | 0 | 0 | 107.5 | S208 | S208-S210 PolarHBondContact O-N 2.84Š| ||
| 211 | D | 31.2 | Very low | 38.1 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 97.4 | 39.2 | 173.7 | -42.3 | -24.9 | 0 | 0 | 0 | 116.6 | ||||
| 212 | L | 30.5 | Very low | 36.4 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 97% | 0.974 | 76% | 0.76 | S | S | * | * | trans | -106.3 | 71.9 | 142.6 | -79.6 | 164.3 | 0 | 0 | 0 | 108.6 | ||||
| 213 | K | 34.6 | Very low | 34.9 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | -120 | 125.9 | 155.3 | -86.2 | -172.3 | 177.2 | -179.8 | 0 | 108.2 | ||||
| 214 | T | 28.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -47.2 | 138.1 | 171.3 | 46.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 215 | D | 34.2 | Very low | 33.4 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | -175.3 | 145.2 | 112.3 | -92.6 | -29.8 | 0 | 0 | 0 | 114.6 | |||||
| 216 | F | 27.9 | Very low | 33.6 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 75% | 0.746 | 80% | 0.795 | S | S | * | * | trans | -48.5 | 167.2 | 179.6 | -78.8 | -80.8 | 0 | 0 | 0 | 116.6 | ||||
| 217 | P | 35.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 150 Ų | 150 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -152.2 | 164.4 | 57.2 | 35.1 | -9.7 | 0 | 0 | 0 | 120.8 | |||||
| 218 | K | 31.7 | Very low | 34.2 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -70 | 137.8 | 178.1 | -64.7 | 172.6 | 176.5 | 175.1 | 0 | 112.5 | ||||
| 219 | E | 37.8 | Very low | 34.4 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -109.7 | 136.7 | 154.4 | -90.5 | -172.2 | 157.3 | 0 | 0 | 111.1 | ||||
| 220 | K | 34.5 | Very low | 34.7 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -88 | 140 | -179.9 | -72.1 | 176.1 | 174.4 | 176.6 | 0 | 110 | ||||
| 221 | G | 36.2 | Very low | 34.9 | Very low | 75 Ų | 75 | 158.4 Ų | 158.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -160.5 | 101.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 222 | Q | 36.7 | Very low | 35.1 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -45.4 | 158.8 | 166.5 | -76.2 | 158.9 | -54.3 | 0 | 0 | 112.4 | ||||
| 223 | T | 34.1 | Very low | 35.4 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | cis | -177.6 | 140.8 | 12 | 19.9 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 224 | S | 37.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | 166.2 | 138.9 | 86.9 | 54.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 225 | T | 36 | Very low | 35.9 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 33.5 | 132.8 | 140.9 | 55.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 226 | D | 38.6 | Very low | 36 | Very low | 132 Ų | 132 | 151.3 Ų | 151.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | cis | -170.4 | 142.8 | 40.7 | -127.9 | -29.2 | 0 | 0 | 0 | 112.3 | ||||
| 227 | N | 39.5 | Very low | 36.3 | Very low | 141 Ų | 141 | 154 Ų | 154 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | 28.7 | 136.7 | 145.5 | -77.9 | -46.4 | 0 | 0 | 0 | 126.5 | ||||
| 228 | S | 39.8 | Very low | 36.1 | Very low | 102 Ų | 102 | 157.8 Ų | 157.8 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | 105.5 | 103.7 | 129.4 | 70.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 229 | D | 37.7 | Very low | 36.2 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | 38.8 | 121.3 | 122.8 | -64.6 | -30.5 | 0 | 0 | 0 | 120.6 | |||||
| 230 | R | 36.4 | Very low | 35.9 | Very low | 250 Ų | 250 | 152.4 Ų | 152.4 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | -173.3 | 128.5 | 113.1 | -99.1 | 164.2 | -168.4 | -171.2 | 4.4 | 112.5 | |||||
| 231 | R | 33.2 | Very low | 35.8 | Very low | 248 Ų | 248 | 150.8 Ų | 150.8 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -72.3 | 140 | 159.9 | -71.4 | 175.9 | -172.8 | 171 | 2.3 | 109.4 | ||||
| 232 | S | 37.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -145 | 119.6 | 140.9 | 66.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 233 | T | 35.5 | Very low | 35.5 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -64.6 | 137.1 | 161.2 | 45 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 234 | D | 37.7 | Very low | 35.4 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -152.4 | 126.8 | 140.7 | -98.9 | -29.5 | 0 | 0 | 0 | 110 | ||||
| 235 | A | 36 | Very low | 35.3 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -83.8 | 132.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 236 | D | 36.8 | Very low | 34.9 | Very low | 155 Ų | 155 | 151 Ų | 151 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -169.2 | 142.9 | 136.5 | -107.6 | -31.4 | 0 | 0 | 0 | 114.7 | ||||
| 237 | R | 33.8 | Very low | 34.6 | Very low | 227 Ų | 227 | 150.9 Ų | 150.9 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 67.5 | 98.3 | 159.4 | -78.1 | 178.4 | 166.8 | 163.8 | -2.7 | 120.6 | V239 | R237-V239 PolarHBondContact O-N 3.18Š| ||
| 238 | K | 32.3 | Very low | 34.1 | Very low | 209 Ų | 209 | 149 Ų | 149 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -42.8 | 117.5 | 145.7 | -74 | 173.8 | 174.4 | 175.6 | 0 | 111.9 | ||||
| 239 | V | 32.9 | Very low | 33.6 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -129.6 | 113.7 | 147.3 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | R237 Q241 | R237-V239 PolarHBondContact O-N 3.18Å; V239-Q241 PolarHBondContact O-N 2.9Å | ||
| 240 | T | 32.2 | Very low | 33.1 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -57.9 | 99.6 | 175.8 | 23.1 | 0 | 0 | 0 | 0 | 110.9 | S242 | T240-S242 PolarHBondContact O-N 3.15Š| ||
| 241 | Q | 31.6 | Very low | 32.6 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -78.5 | 95.5 | 157.1 | -81.3 | -177.8 | -13.2 | 0 | 0 | 108.4 | V239 T243 | V239-Q241 PolarHBondContact O-N 2.9Å; Q241-T243 PolarHBondContact O-N 2.84Å | ||
| 242 | S | 33.9 | Very low | 32.3 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -80.2 | 94.5 | 163.5 | 63 | 0 | 0 | 0 | 0 | 108.5 | T240 | T240-S242 PolarHBondContact O-N 3.15Š| ||
| 243 | T | 33.6 | Very low | 31.8 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 59% | 0.589 | 77% | 0.769 | S | S | * | * | trans | -69.5 | 130.7 | 165.5 | 39.7 | 0 | 0 | 0 | 0 | 109.4 | Q241 S245 | Q241-T243 PolarHBondContact O-N 2.84Å; T243-S245 PolarHBondContact O-N 3.08Å | ||
| 244 | C | 32.1 | Very low | 31.6 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -59.5 | 112.6 | 165.7 | -91.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 245 | S | 34.9 | Very low | 31.4 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | 54.3 | 88.8 | 168.2 | -62.5 | 0 | 0 | 0 | 0 | 116 | T243 D247 | T243-S245 PolarHBondContact O-N 3.08Å; S245-D247 PolarHBondContact O-N 2.99Å | ||
| 246 | R | 28.4 | Very low | 31.5 | Very low | 230 Ų | 230 | 148.8 Ų | 148.8 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -64.7 | 77 | 133.4 | -77.8 | -179.2 | 176.8 | 152.7 | -0.6 | 107.9 | S248 | R246-S248 PolarHBondContact O-N 2.85Š| ||
| 247 | D | 30.9 | Very low | 31.7 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -69.9 | 119.3 | 143 | -75.4 | -23.3 | 0 | 0 | 0 | 103.6 | S245 E249 | S245-D247 PolarHBondContact O-N 2.99Å; D247-E249 PolarHBondContact O-N 3.17Å | ||
| 248 | S | 28.6 | Very low | 32.2 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -42.6 | 115.7 | 176 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | R246 T250 | R246-S248 PolarHBondContact O-N 2.85Å; S248-T250 PolarHBondContact O-N 2.87Å | ||
| 249 | E | 29.4 | Very low | 33 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -62.3 | 80.3 | 164.4 | -75.8 | 179.9 | 155.1 | 0 | 0 | 106.6 | D247 R251 | D247-E249 PolarHBondContact O-N 3.17Å; E249-R251 PolarHBondContact O-N 2.85Å | ||
| 250 | T | 27.6 | Very low | 34 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | trans | -48.1 | 117 | 141.1 | 44.3 | 0 | 0 | 0 | 0 | 103.6 | S248 T252 | S248-T250 PolarHBondContact O-N 2.87Å; T250-T252 PolarHBondContact O-N 3.12Å; T250-T252 PolarHBondContact O-OG1 2.94Å | ||
| 251 | R | 25.5 | Very low | 34.9 | Very low | 241 Ų | 241 | 126.2 Ų | 126.2 | 91% | 0.909 | 65% | 0.651 | S | S | * | * | trans | -56.5 | 73.1 | -176.6 | -158.7 | 179.1 | -169.9 | 176.8 | 2.3 | 108.7 | E249 V253 | E249-R251 PolarHBondContact O-N 2.85Å; R251-V253 VanDerWaalsContact C-N 3.32Å; R251-V253 PolarHBondContact O-N 3.07Å | ||
| 252 | T | 27.1 | Very low | 36.1 | Very low | 108 Ų | 108 | 119 Ų | 119 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | trans | -75.7 | 97.4 | 176.3 | 29.3 | 0 | 0 | 0 | 0 | 103.4 | T250 K254 | T250-T252 PolarHBondContact O-N 3.12Å; T250-T252 PolarHBondContact O-OG1 2.94Å; T252-K254 VanDerWaalsContact C-N 3.3Å; T252-K254 PolarHBondContact O-N 3.27Å | ||
| 253 | V | 28 | Very low | 37.5 | Very low | 129 Ų | 129 | 115.2 Ų | 115.2 | 78% | 0.782 | 59% | 0.587 | S | S | * | * | trans | -47.7 | 104.6 | 163 | 178.2 | 0 | 0 | 0 | 0 | 105.3 | R251 P255 | R251-V253 VanDerWaalsContact C-N 3.32Å; R251-V253 PolarHBondContact O-N 3.07Å; V253-P255 WeakPolarHBondContact O-CD 3.42Å | ||
| 254 | K | 31.5 | Very low | 38.9 | Very low | 189 Ų | 189 | 117 Ų | 117 | 82% | 0.822 | 59% | 0.587 | S | S | * | * | trans | -48.5 | 121 | 169 | -84.9 | -177.6 | 177.1 | 177.1 | 0 | 105 | T252 K256 | T252-K254 VanDerWaalsContact C-N 3.3Å; T252-K254 PolarHBondContact O-N 3.27Å; K254-K256 PolarHBondContact O-N 2.93Å | ||
| 255 | P | 33.6 | Very low | 41 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 58% | 0.584 | 57% | 0.569 | S | S | * | * | trans | -56.6 | 115.4 | 175.5 | -11.6 | 21.6 | 0 | 0 | 0 | 105.4 | L198 V253 F257 | L198-P255 HydrophobicContact CD2-CB 4.36Å; L198-P255 HydrophobicContact CD2-CG 4.46Å; V253-P255 WeakPolarHBondContact O-CD 3.42Å; P255-F257 PolarHBondContact O-N 3.09Å | ||
| 256 | K | 36.8 | Very low | 43.5 | Very low | 196 Ų | 196 | 110 Ų | 110 | 85% | 0.852 | 54% | 0.539 | S | S | * | . | trans | -47.9 | 130.8 | 162.8 | -90.4 | -178.2 | 174.1 | 178.6 | 0 | 105.1 | K254 M258 | K254-K256 PolarHBondContact O-N 2.93Å; K256-M258 PolarHBondContact O-N 3.01Å; K256-M258 VanDerWaalsContact O-N 3.07Å | ||
| 257 | F | 40.4 | Very low | 46.5 | Very low | 188 Ų | 188 | 99 Ų | 99 | 83% | 0.825 | 50% | 0.497 | S | S | * | . | trans | -24.1 | 114.8 | 179.4 | -118.9 | -96.4 | 0 | 0 | 0 | 110 | P255 D259 | P255-F257 PolarHBondContact O-N 3.09Å; F257-D259 PolarHBondContact O-N 3.29Å | ||
| 258 | M | 45.8 | Very low | 49.5 | Very low | 11 Ų | 11 | 92.8 Ų | 92.8 | 5% | 0.054 | 46% | 0.464 | C | S | . | . | trans | -64.8 | 92.1 | 174.2 | -166.9 | 179.3 | -101.3 | 0 | 0 | 105.7 | Y151 L181 L198 F203 K256 L260 | Y151-M258 HydrophobicContact CD1-CE 3.6Å; Y151-M258 HydrophobicContact CD2-CE 4.04Å; Y151-M258 HydrophobicContact CD2-CG 3.9Å; Y151-M258 HydrophobicContact CD2-SD 4.11Å; Y151-M258 HydrophobicContact CE1-CE 3.61Å; Y151-M258 HydrophobicContact CE1-CG 4.32Å; Y151-M258 HydrophobicContact CE2-CE 4.08Å; Y151-M258 HydrophobicContact CE2-CG 3.34Å; Y151-M258 HydrophobicContact CE2-SD 4.14Å; Y151-M258 HydrophobicContact CG-CE 3.81Å; Y151-M258 HydrophobicContact CG-SD 4.39Å; L181-M258 HydrophobicContact CD1-CB 3.83Å; L198-M258 HydrophobicContact CD2-CB 4.4Å; L198-M258 HydrophobicContact CD2-CE 3.48Å; L198-M258 VanDerWaalsContact CD2-CE 3.48Å; L198-M258 HydrophobicContact CD2-SD 4.01Å; L198-M258 HydrophobicContact CG-CE 4.37Å; L198-M258 HydrophobicContact CG-SD 4.34Å; F203-M258 HydrophobicContact CD1-CE 3.56Å; F203-M258 HydrophobicContact CD2-CE 4.32Å; F203-M258 HydrophobicContact CE1-CE 3.11Å; F203-M258 HydrophobicContact CE1-SD 4.3Å; F203-M258 HydrophobicContact CE2-CE 3.89Å; F203-M258 HydrophobicContact CG-CE 4.16Å; F203-M258 HydrophobicContact CZ-CE 3.29Å; F203-M258 HydrophobicContact CZ-SD 3.96Å; K256-M258 PolarHBondContact O-N 3.01Å; K256-M258 VanDerWaalsContact O-N 3.07Å; M258-L260 VanDerWaalsContact C-N 3.29Å; M258-L260 HydrophobicContact CB-CD2 4.45Å; M258-L260 HydrophobicContact CG-CD2 3.7Å; M258-L260 PolarHBondContact O-N 2.78Å; M258-L260 HydrophobicContact SD-CD2 3.68Å | ||
| 259 | D | 48.1 | Very low | 52.8 | Low | 103 Ų | 103 | 88 Ų | 88 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | trans | -69.8 | 95.7 | 176.8 | -161.8 | -7.2 | 0 | 0 | 0 | 105.1 | F257 N261 | F257-D259 PolarHBondContact O-N 3.29Å; D259-N261 PolarHBondContact O-N 3.47Å; D259-N261 VanDerWaalsContact OD1-CG 3.32Å; D259-N261 PolarHBondContact OD1-ND2 3.39Å; D259-N261 PolarHBondContact OD2-ND2 3.46Å | ||
| 260 | L | 53.7 | Low | 56 | Low | 14 Ų | 14 | 79 Ų | 79 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | trans | -70.4 | 42.6 | 175.9 | -55.5 | -179.6 | 0 | 0 | 0 | 110.4 | L181 M258 F262 Y263 | L181-L260 HydrophobicContact CD2-CD1 3.16Å; L181-L260 HydrophobicContact CD2-CD2 3.85Å; L181-L260 HydrophobicContact CD2-CG 3.43Å; L181-L260 VanDerWaalsContact CD2-CG 3.43Å; M258-L260 VanDerWaalsContact C-N 3.29Å; M258-L260 HydrophobicContact CB-CD2 4.45Å; M258-L260 HydrophobicContact CG-CD2 3.7Å; M258-L260 PolarHBondContact O-N 2.78Å; M258-L260 HydrophobicContact SD-CD2 3.68Å; L260-F262 HydrophobicContact CB-CD1 3.96Å; L260-F262 HydrophobicContact CB-CE1 3.78Å; L260-F262 HydrophobicContact CB-CZ 4.45Å; L260-F262 HydrophobicContact CD1-CE1 4.3Å; L260-F262 HydrophobicContact CD2-CD1 3.98Å; L260-F262 HydrophobicContact CD2-CE1 3.35Å; L260-F262 HydrophobicContact CD2-CZ 4.29Å; L260-F262 HydrophobicContact CG-CE1 3.97Å; L260-F262 PolarHBondContact O-N 3.41Å; L260-Y263 HydrophobicContact CB-CD2 3.53Å; L260-Y263 HydrophobicContact CB-CE2 3.39Å; L260-Y263 HydrophobicContact CD1-CD2 4.29Å; L260-Y263 HydrophobicContact CD1-CE2 3.29Å; L260-Y263 WeakPolarHBondContact CD1-OH 3.48Å; L260-Y263 HydrophobicContact CG-CE2 3.98Å; L260-Y263 WeakPolarHBondContact O-CD2 3.44Å; L260-Y263 PolarHBondContact O-N 2.86Å | ||
| 261 | N | 51.6 | Low | 59.3 | Low | 71 Ų | 71 | 74.1 Ų | 74.1 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -55.2 | -12.8 | 170.4 | -89.1 | -36.7 | 0 | 0 | 0 | 112.3 | D259 Y263 K264 | D259-N261 PolarHBondContact O-N 3.47Å; D259-N261 VanDerWaalsContact OD1-CG 3.32Å; D259-N261 PolarHBondContact OD1-ND2 3.39Å; D259-N261 PolarHBondContact OD2-ND2 3.46Å; N261-Y263 PolarHBondContact O-N 2.73Å; N261-K264 WeakPolarHBondContact O-CB 3.39Å; N261-K264 PolarHBondContact O-N 3Å; N261-K264 VanDerWaalsContact O-N 3.14Å; N261-K264 WeakPolarHBondContact OD1-CE 3.46Å; N261-K264 PolarHBondContact OD1-NZ 3.32Å |
| 262 | F | 56.7 | Low | 62.6 | Low | 24 Ų | 24 | 62.9 Ų | 62.9 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -58.2 | -28.2 | 171.9 | 77.5 | -108 | 0 | 0 | 0 | 112.6 | Y131 L149 L260 K264 S265 I266 | Y131-F262 HydrophobicContact CD1-CB 4.01Å; Y131-F262 HydrophobicContact CD1-CD2 4.03Å; Y131-F262 HydrophobicContact CD1-CG 4.28Å; Y131-F262 HydrophobicContact CE1-CB 3.93Å; Y131-F262 HydrophobicContact CG-CD2 4.23Å; L149-F262 HydrophobicContact CD1-CZ 4.31Å; L149-F262 HydrophobicContact CD2-CE1 4.42Å; L260-F262 HydrophobicContact CB-CD1 3.96Å; L260-F262 HydrophobicContact CB-CE1 3.78Å; L260-F262 HydrophobicContact CB-CZ 4.45Å; L260-F262 HydrophobicContact CD1-CE1 4.3Å; L260-F262 HydrophobicContact CD2-CD1 3.98Å; L260-F262 HydrophobicContact CD2-CE1 3.35Å; L260-F262 HydrophobicContact CD2-CZ 4.29Å; L260-F262 HydrophobicContact CG-CE1 3.97Å; L260-F262 PolarHBondContact O-N 3.41Å; F262-K264 PolarHBondContact O-N 3.44Å; F262-K264 VanDerWaalsContact O-N 3.16Å; F262-S265 PolarHBondContact O-N 3.31Å; F262-S265 PolarHBondContact O-OG 3.46Å; F262-I266 HydrophobicContact CD2-CG2 4.47Å |
| 263 | Y | 63.3 | Low | 65.8 | Low | 20 Ų | 20 | 57.8 Ų | 57.8 | 8% | 0.078 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -59.5 | -25.3 | 177 | -69.4 | -49.9 | 0 | 0 | 0 | 113.8 | L89 L93 I177 L260 N261 S265 I266 | L89-Y263 HydrophobicContact CD1-CD1 3.15Å; L89-Y263 HydrophobicContact CD1-CD2 3.94Å; L89-Y263 HydrophobicContact CD1-CE1 3.63Å; L89-Y263 HydrophobicContact CD1-CE2 4.3Å; L89-Y263 HydrophobicContact CD1-CG 3.34Å; L89-Y263 HydrophobicContact CG-CD1 4.26Å; L89-Y263 HydrophobicContact CG-CG 4.08Å; L93-Y263 HydrophobicContact CB-CE1 4.07Å; L93-Y263 HydrophobicContact CD2-CD1 4.12Å; L93-Y263 HydrophobicContact CD2-CE1 3.62Å; L93-Y263 HydrophobicContact CG-CE1 4.47Å; I177-Y263 WeakPolarHBondContact CG2-OH 3.29Å; L260-Y263 HydrophobicContact CB-CD2 3.53Å; L260-Y263 HydrophobicContact CB-CE2 3.39Å; L260-Y263 HydrophobicContact CD1-CD2 4.29Å; L260-Y263 HydrophobicContact CD1-CE2 3.29Å; L260-Y263 WeakPolarHBondContact CD1-OH 3.48Å; L260-Y263 HydrophobicContact CG-CE2 3.98Å; L260-Y263 WeakPolarHBondContact O-CD2 3.44Å; L260-Y263 PolarHBondContact O-N 2.86Å; N261-Y263 PolarHBondContact O-N 2.73Å; Y263-S265 PolarHBondContact O-N 2.75Å; Y263-S265 VanDerWaalsContact O-N 3.08Å; Y263-I266 WeakPolarHBondContact O-CG1 3.48Å |
| 264 | K | 62.4 | Low | 68.8 | Low | 132 Ų | 132 | 55.7 Ų | 55.7 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -67.4 | -6.9 | 176.3 | -67.8 | 175.5 | 173.6 | 159.9 | 0 | 113.9 | N261 F262 | N261-K264 WeakPolarHBondContact O-CB 3.39Å; N261-K264 PolarHBondContact O-N 3Å; N261-K264 VanDerWaalsContact O-N 3.14Å; N261-K264 WeakPolarHBondContact OD1-CE 3.46Å; N261-K264 PolarHBondContact OD1-NZ 3.32Å; F262-K264 PolarHBondContact O-N 3.44Å; F262-K264 VanDerWaalsContact O-N 3.16Å |
| 265 | S | 77 | Confident | 71.5 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 26% | 0.259 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -125.1 | -4.8 | -171.1 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | S116 G117 Y131 F262 Y263 | S116-S265 CarbonylContact C-O 3.47Å; S116-S265 WeakPolarHBondContact CA-O 3.47Å; S116-S265 PolarHBondContact OG-O 2.74Å; G117-S265 PolarHBondContact N-O 3.29Å; Y131-S265 VanDerWaalsContact CE2-OG 3.31Å; Y131-S265 WeakPolarHBondContact CE2-OG 3.33Å; Y131-S265 PolarHBondContact OH-OG 2.88Å; F262-S265 PolarHBondContact O-N 3.31Å; F262-S265 PolarHBondContact O-OG 3.46Å; Y263-S265 PolarHBondContact O-N 2.75Å; Y263-S265 VanDerWaalsContact O-N 3.08Å |
| 266 | I | 87.5 | Confident | 74.1 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 141.4 | 171.5 | 69.2 | 177.4 | 0 | 0 | 0 | 108.7 | F82 P86 L89 L93 I114 L115 Y131 F262 Y263 | F82-I266 HydrophobicContact CE2-CB 4.28Å; F82-I266 HydrophobicContact CE2-CD1 4.07Å; F82-I266 HydrophobicContact CE2-CG1 3.91Å; P86-I266 HydrophobicContact CG-CD1 4.14Å; P86-I266 HydrophobicContact CG-CG1 3.64Å; L89-I266 HydrophobicContact CD1-CD1 4.25Å; L89-I266 HydrophobicContact CD2-CD1 4.39Å; L93-I266 HydrophobicContact CD1-CD1 3.88Å; L93-I266 HydrophobicContact CD2-CD1 4.24Å; I114-I266 HydrophobicContact CG2-CB 3.92Å; I114-I266 HydrophobicContact CG2-CG2 3.83Å; L115-I266 WeakPolarHBondContact O-CA 3.37Å; Y131-I266 HydrophobicContact CD2-CG2 3.75Å; Y131-I266 HydrophobicContact CE2-CG2 4.33Å; Y131-I266 HydrophobicContact CG-CG2 4.27Å; F262-I266 HydrophobicContact CD2-CG2 4.47Å; Y263-I266 WeakPolarHBondContact O-CG1 3.48Å |
| 267 | G | 91 | Very high | 76.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 10.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K81 F82 M85 L115 | K81-G267 CarbonylContact C-O 3.54Å; K81-G267 WeakPolarHBondContact CA-O 3.49Å; F82-G267 PolarHBondContact N-O 3.45Å; M85-G267 WeakPolarHBondContact CE-O 3.46Å; M85-G267 VanDerWaalsContact SD-CA 3.51Å; L115-G267 PolarHBondContact O-N 3.07Å |
| 268 | A | 95.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 152.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R80 K81 L115 V119 | R80-A268 CarbonylContact O-C 3.42Å; R80-A268 WeakPolarHBondContact O-CA 3.41Å; R80-A268 VanDerWaalsContact O-CB 3.31Å; R80-A268 WeakPolarHBondContact O-CB 3.45Å; K81-A268 HydrophobicContact CG-CB 4.24Å; L115-A268 HydrophobicContact CB-CB 3.96Å; L115-A268 HydrophobicContact CD1-CB 4.39Å; L115-A268 PolarHBondContact N-O 2.91Å; L115-A268 PolarHBondContact O-N 2.98Å; V119-A268 HydrophobicContact CG1-CB 3.79Å |
| 269 | V | 96.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.6 | 164.9 | 179 | 0 | 0 | 0 | 0 | 108.4 | L24 W38 S79 R80 F82 I112 K113 I114 I285 V287 | L24-V269 HydrophobicContact CD1-CG2 4.22Å; L24-V269 HydrophobicContact CD2-CG2 4.44Å; W38-V269 HydrophobicContact CH2-CG1 4.4Å; S79-V269 CarbonylContact C-O 3.49Å; S79-V269 VanDerWaalsContact CA-O 3.23Å; S79-V269 WeakPolarHBondContact CA-O 3.35Å; S79-V269 WeakPolarHBondContact CB-O 3.32Å; R80-V269 PolarHBondContact N-O 3.34Å; R80-V269 PolarHBondContact O-N 2.91Å; F82-V269 HydrophobicContact CD1-CG2 4.43Å; F82-V269 HydrophobicContact CE1-CG2 3.62Å; F82-V269 HydrophobicContact CZ-CG2 4.49Å; I112-V269 HydrophobicContact CB-CG1 4.14Å; I112-V269 HydrophobicContact CD1-CG1 4.12Å; K113-V269 CarbonylContact O-C 3.57Å; K113-V269 WeakPolarHBondContact O-CA 3.46Å; I114-V269 HydrophobicContact CD1-CG2 3.9Å; V269-I285 HydrophobicContact CG1-CG2 4.34Å; V269-V287 HydrophobicContact CG2-CG2 3.74Å |
| 270 | G | 96.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V78 K113 | V78-G270 CarbonylContact O-C 3.39Å; V78-G270 WeakPolarHBondContact O-CA 3.39Å; K113-G270 PolarHBondContact N-O 2.72Å; K113-G270 PolarHBondContact O-N 2.87Å |
| 271 | I | 97.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118 | 169.4 | -57.4 | 171.5 | 0 | 0 | 0 | 106.2 | W38 F50 A77 V78 I112 V273 F282 I285 | W38-I271 HydrophobicContact CH2-CD1 4.39Å; W38-I271 HydrophobicContact CZ3-CD1 4.29Å; W38-I271 HydrophobicContact CZ3-CG1 4.41Å; F50-I271 HydrophobicContact CZ-CG2 4.3Å; A77-I271 CarbonylContact C-O 3.56Å; A77-I271 VanDerWaalsContact CA-O 3.27Å; A77-I271 WeakPolarHBondContact CA-O 3.27Å; V78-I271 HydrophobicContact CG1-CB 4Å; V78-I271 HydrophobicContact CG1-CD1 4.36Å; V78-I271 HydrophobicContact CG1-CG1 4.49Å; V78-I271 PolarHBondContact N-O 2.74Å; V78-I271 PolarHBondContact O-N 2.88Å; I112-I271 HydrophobicContact CG2-CG1 4.04Å; I271-V273 HydrophobicContact CG2-CG1 4.1Å; I271-V273 HydrophobicContact CG2-CG2 4.22Å; I271-F282 HydrophobicContact CD1-CB 4.04Å; I271-F282 HydrophobicContact CD1-CD1 4.08Å; I271-F282 HydrophobicContact CD1-CD2 4.1Å; I271-F282 HydrophobicContact CD1-CG 3.83Å; I271-F282 HydrophobicContact CG2-CD2 4.35Å; I271-F282 HydrophobicContact CG2-CE1 4.19Å; I271-F282 HydrophobicContact CG2-CE2 3.81Å; I271-F282 HydrophobicContact CG2-CZ 3.72Å; I271-I285 HydrophobicContact CD1-CD1 4.24Å |
| 272 | D | 94.5 | Very high | 87.5 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 98.3 | 177.8 | 161.4 | 51.2 | 0 | 0 | 0 | 109.1 | Y76 Y111 K113 F124 N126 | Y76-D272 CarbonylContact O-C 3.59Å; Y76-D272 WeakPolarHBondContact O-CA 3.3Å; Y111-D272 WeakPolarHBondContact CE2-O 3.34Å; Y111-D272 PolarHBondContact OH-O 2.82Å; K113-D272 IonicContact NZ-OD2 3.22Å; K113-D272 PolarHBondContact NZ-OD2 3.24Å; F124-D272 HydrophobicContact CE1-CB 3.69Å; F124-D272 HydrophobicContact CZ-CB 3.68Å; N126-D272 WeakPolarHBondContact CA-OD2 3.47Å; N126-D272 PolarHBondContact N-OD2 2.81Å |
| 273 | V | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.9 | -169.4 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | Y76 Y111 I271 Q275 F282 | Y76-V273 PolarHBondContact N-O 2.9Å; Y76-V273 PolarHBondContact O-N 2.74Å; Y111-V273 HydrophobicContact CD2-CG1 4.38Å; Y111-V273 HydrophobicContact CE1-CG1 4.35Å; Y111-V273 HydrophobicContact CE2-CG1 4Å; I271-V273 HydrophobicContact CG2-CG1 4.1Å; I271-V273 HydrophobicContact CG2-CG2 4.22Å; V273-Q275 HydrophobicContact CG2-CG 4.34Å; V273-F282 HydrophobicContact CG1-CZ 4.26Å |
| 274 | W | 91.1 | Very high | 90.6 | Very high | 85 Ų | 85 | 21.9 Ų | 21.9 | 32% | 0.322 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 139.3 | 163.3 | 174.1 | -111.9 | 0 | 0 | 0 | 109.5 | S73 K74 F75 G108 G109 | S73-W274 VanDerWaalsContact C-CZ3 3.43Å; S73-W274 VanDerWaalsContact O-CH2 3.3Å; S73-W274 WeakPolarHBondContact O-CH2 3.36Å; S73-W274 WeakPolarHBondContact O-CZ3 3.5Å; K74-W274 VanDerWaalsContact C-CZ3 3.41Å; F75-W274 HydrophobicContact CB-CE3 4.44Å; F75-W274 HydrophobicContact CD1-CB 4.14Å; F75-W274 AromaticContact CD1-CE3 3.8Å; F75-W274 HydrophobicContact CD1-CE3 3.8Å; F75-W274 AromaticContact CD2-CE3 3.52Å; F75-W274 HydrophobicContact CD2-CE3 3.52Å; F75-W274 AromaticContact CD2-CZ3 3.56Å; F75-W274 HydrophobicContact CD2-CZ3 3.56Å; F75-W274 HydrophobicContact CE1-CB 4Å; F75-W274 HydrophobicContact CE1-CD2 4.28Å; F75-W274 AromaticContact CE1-CE3 3.79Å; F75-W274 HydrophobicContact CE1-CE3 3.79Å; F75-W274 HydrophobicContact CE1-CG 4.4Å; F75-W274 HydrophobicContact CE2-CD2 4.47Å; F75-W274 AromaticContact CE2-CE3 3.5Å; F75-W274 HydrophobicContact CE2-CE3 3.5Å; F75-W274 VanDerWaalsContact CE2-CE3 3.5Å; F75-W274 AromaticContact CE2-CZ3 3.53Å; F75-W274 HydrophobicContact CE2-CZ3 3.53Å; F75-W274 AromaticContact CG-CE3 3.66Å; F75-W274 HydrophobicContact CG-CE3 3.66Å; F75-W274 HydrophobicContact CG-CZ3 4.15Å; F75-W274 HydrophobicContact CZ-CD2 4.23Å; F75-W274 AromaticContact CZ-CE3 3.64Å; F75-W274 HydrophobicContact CZ-CE3 3.64Å; F75-W274 HydrophobicContact CZ-CZ3 4.1Å; G108-W274 WeakPolarHBondContact CA-O 3.41Å; G109-W274 PolarHBondContact N-O 2.78Å |
| 275 | Q | 88.2 | Confident | 92.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 113.3 | 173.4 | -63 | -76.4 | -21.2 | 0 | 0 | 109.2 | T69 S73 K74 Y76 Q103 G109 V273 K277 T280 | T69-Q275 HydrophobicContact CG2-CG 4.1Å; S73-Q275 VanDerWaalsContact CA-O 3.31Å; S73-Q275 WeakPolarHBondContact CA-O 3.16Å; S73-Q275 PolarHBondContact N-O 3.04Å; K74-Q275 PolarHBondContact N-O 2.75Å; K74-Q275 PolarHBondContact O-N 2.8Å; K74-Q275 VanDerWaalsContact O-N 3.14Å; Y76-Q275 HydrophobicContact CD2-CB 4.32Å; Y76-Q275 HydrophobicContact CD2-CG 3.94Å; Y76-Q275 HydrophobicContact CE2-CB 4.09Å; Y76-Q275 HydrophobicContact CE2-CG 4.04Å; Q103-Q275 VanDerWaalsContact NE2-OE1 3.09Å; G109-Q275 PolarHBondContact O-NE2 3.34Å; V273-Q275 HydrophobicContact CG2-CG 4.34Å; Q275-K277 VanDerWaalsContact C-N 3.33Å; Q275-K277 PolarHBondContact OE1-O 2.82Å; Q275-T280 VanDerWaalsContact NE2-CB 3.28Å; Q275-T280 PolarHBondContact NE2-OG1 2.92Å; Q275-T280 PolarHBondContact OE1-OG1 3.37Å |
| 276 | V | 89.6 | Confident | 93.1 | Very high | 52 Ų | 52 | 13.9 Ų | 13.9 | 32% | 0.315 | 7% | 0.068 | S | C | . | . | S | Bend | trans | -64.1 | -46.3 | 168.1 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | N72 S73 C107 | N72-V276 WeakPolarHBondContact CA-O 3.15Å; N72-V276 WeakPolarHBondContact CB-O 3.5Å; S73-V276 PolarHBondContact N-O 2.85Å; C107-V276 HydrophobicContact CB-CG2 3.85Å; C107-V276 WeakPolarHBondContact O-CB 3.49Å; C107-V276 WeakPolarHBondContact O-CG2 3.37Å; C107-V276 PolarHBondContact O-N 3.23Å; C107-V276 VanDerWaalsContact O-N 3.1Å |
| 277 | K | 90.4 | Very high | 93.5 | Very high | 97 Ų | 97 | 13.7 Ų | 13.7 | 42% | 0.422 | 7% | 0.068 | S | C | . | . | S | Bend | trans | -122.4 | 121.6 | 174.1 | -168.5 | 172.2 | -177.5 | 172.7 | 0 | 108.9 | N72 Q103 Q275 | N72-K277 WeakPolarHBondContact OD1-CA 3.29Å; Q103-K277 HydrophobicContact CB-CD 4.01Å; Q103-K277 HydrophobicContact CB-CG 3.98Å; Q103-K277 HydrophobicContact CG-CB 4.16Å; Q103-K277 HydrophobicContact CG-CD 4.45Å; Q103-K277 HydrophobicContact CG-CG 4.15Å; Q103-K277 WeakPolarHBondContact CG-O 3.49Å; Q103-K277 PolarHBondContact NE2-O 2.91Å; Q275-K277 VanDerWaalsContact C-N 3.33Å; Q275-K277 PolarHBondContact OE1-O 2.82Å |
| 278 | A | 91.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 12% | 0.124 | 7% | 0.068 | C | C | . | . | trans | -73 | 161 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T70 Q71 N72 | T70-A278 VanDerWaalsContact C-CB 3.44Å; Q71-A278 VanDerWaalsContact C-CB 3.44Å; Q71-A278 WeakPolarHBondContact O-CB 3.32Å; N72-A278 PolarHBondContact OD1-N 2.93Å | ||
| 279 | G | 91.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 6% | 0.062 | 7% | 0.071 | C | C | . | . | trans | 134.9 | -3.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q68 T69 E102 Q103 I281 | Q68-G279 PolarHBondContact NE2-O 3Å; T69-G279 PolarHBondContact O-N 2.99Å; T69-G279 VanDerWaalsContact O-N 3.09Å; T69-G279 PolarHBondContact OG1-N 2.83Å; T69-G279 VanDerWaalsContact OG1-N 3.11Å; E102-G279 WeakPolarHBondContact CB-O 3.21Å; E102-G279 PolarHBondContact N-O 2.75Å; Q103-G279 VanDerWaalsContact OE1-CA 3.29Å; Q103-G279 PolarHBondContact OE1-O 2.8Å; G279-I281 WeakPolarHBondContact O-CG1 3.12Å; G279-I281 PolarHBondContact O-N 3.33Å | ||
| 280 | T | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 129 | 173.9 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | Q68 T69 V99 K100 H101 Q103 Q275 F282 | Q68-T280 WeakPolarHBondContact CA-O 3.09Å; T69-T280 PolarHBondContact N-O 2.79Å; T69-T280 PolarHBondContact OG1-N 2.84Å; T69-T280 VanDerWaalsContact OG1-N 3.11Å; T69-T280 PolarHBondContact OG1-O 2.74Å; V99-T280 HydrophobicContact CG1-CG2 3.85Å; K100-T280 CarbonylContact O-C 3.58Å; K100-T280 WeakPolarHBondContact O-CA 3.31Å; H101-T280 PolarHBondContact ND1-OG1 2.58Å; H101-T280 VanDerWaalsContact ND1-OG1 3.13Å; Q103-T280 PolarHBondContact NE2-OG1 2.92Å; Q103-T280 VanDerWaalsContact OE1-N 3.13Å; Q275-T280 VanDerWaalsContact NE2-CB 3.28Å; Q275-T280 PolarHBondContact NE2-OG1 2.92Å; Q275-T280 PolarHBondContact OE1-OG1 3.37Å; T280-F282 HydrophobicContact CG2-CD2 4.27Å; T280-F282 HydrophobicContact CG2-CE2 3.68Å; T280-F282 HydrophobicContact CG2-CZ 3.95Å |
| 281 | I | 93.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 4% | 0.036 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.5 | -179.6 | -45.2 | -170.7 | 0 | 0 | 0 | 108.8 | L67 Q68 V99 K100 G279 | L67-I281 WeakPolarHBondContact O-CA 3.4Å; Q68-I281 HydrophobicContact CB-CD1 4.38Å; Q68-I281 HydrophobicContact CB-CG1 3.91Å; Q68-I281 HydrophobicContact CB-CG2 4.47Å; Q68-I281 HydrophobicContact CG-CD1 4.36Å; Q68-I281 HydrophobicContact CG-CG1 3.88Å; V99-I281 WeakPolarHBondContact CA-O 3.29Å; K100-I281 HydrophobicContact CB-CB 4.35Å; K100-I281 HydrophobicContact CD-CD1 4.29Å; K100-I281 PolarHBondContact N-O 2.98Å; K100-I281 PolarHBondContact O-N 2.7Å; G279-I281 WeakPolarHBondContact O-CG1 3.12Å; G279-I281 PolarHBondContact O-N 3.33Å |
| 282 | F | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.2 | 174.7 | -62.8 | -97.5 | 0 | 0 | 0 | 110.2 | G66 L67 F97 V99 I112 I271 V273 T280 | G66-F282 CarbonylContact C-O 3.52Å; G66-F282 WeakPolarHBondContact CA-O 3.37Å; L67-F282 PolarHBondContact N-O 3.45Å; L67-F282 PolarHBondContact O-N 3.18Å; F97-F282 HydrophobicContact CD2-CD1 4.25Å; F97-F282 HydrophobicContact CE2-CD1 4.34Å; F97-F282 HydrophobicContact CE2-CE1 4.44Å; V99-F282 HydrophobicContact CG2-CD1 4.06Å; V99-F282 HydrophobicContact CG2-CE1 4.23Å; I112-F282 HydrophobicContact CG2-CD1 4.28Å; I112-F282 HydrophobicContact CG2-CE1 4.35Å; I271-F282 HydrophobicContact CD1-CB 4.04Å; I271-F282 HydrophobicContact CD1-CD1 4.08Å; I271-F282 HydrophobicContact CD1-CD2 4.1Å; I271-F282 HydrophobicContact CD1-CG 3.83Å; I271-F282 HydrophobicContact CG2-CD2 4.35Å; I271-F282 HydrophobicContact CG2-CE1 4.19Å; I271-F282 HydrophobicContact CG2-CE2 3.81Å; I271-F282 HydrophobicContact CG2-CZ 3.72Å; V273-F282 HydrophobicContact CG1-CZ 4.26Å; T280-F282 HydrophobicContact CG2-CD2 4.27Å; T280-F282 HydrophobicContact CG2-CE2 3.68Å; T280-F282 HydrophobicContact CG2-CZ 3.95Å |
| 283 | D | 92.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 26 Ų | 26 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 169.5 | 179.4 | -176.2 | 26.3 | 0 | 0 | 0 | 111.1 | R27 V65 S98 I285 | R27-D283 WeakPolarHBondContact CA-OD1 3.37Å; R27-D283 VanDerWaalsContact O-OD1 3.09Å; V65-D283 VanDerWaalsContact O-CG 3.24Å; S98-D283 PolarHBondContact N-O 3.34Å; S98-D283 PolarHBondContact O-N 2.71Å; S98-D283 WeakPolarHBondContact OG-CB 3.35Å; S98-D283 PolarHBondContact OG-O 2.66Å; D283-I285 VanDerWaalsContact C-N 3.31Å; D283-I285 PolarHBondContact O-N 2.83Å |
| 284 | N | 92.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 39.9 | 174.9 | -63.3 | -67.7 | 0 | 0 | 0 | 113.3 | E26 F97 S98 L286 F297 T301 | E26-N284 CarbonylContact O-C 3.54Å; E26-N284 WeakPolarHBondContact O-CA 3.26Å; E26-N284 PolarHBondContact O-N 3.04Å; F97-N284 WeakPolarHBondContact CA-O 3.22Å; S98-N284 PolarHBondContact OG-ND2 2.92Å; S98-N284 VanDerWaalsContact OG-ND2 3.12Å; N284-L286 PolarHBondContact O-N 2.87Å; N284-F297 HydrophobicContact CB-CE1 3.92Å; N284-F297 HydrophobicContact CB-CZ 4.34Å; N284-T301 WeakPolarHBondContact OD1-CB 3.3Å; N284-T301 PolarHBondContact OD1-OG1 2.84Å |
| 285 | I | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.9 | -178.9 | -53 | 176.7 | 0 | 0 | 0 | 108.5 | L24 E25 E26 F28 W38 Q96 F97 I112 V269 I271 D283 | L24-I285 HydrophobicContact CD2-CB 4.24Å; L24-I285 HydrophobicContact CD2-CG2 3.69Å; E25-I285 CarbonylContact C-O 3.55Å; E25-I285 WeakPolarHBondContact CA-O 3.37Å; E26-I285 HydrophobicContact CB-CB 4.25Å; E26-I285 PolarHBondContact N-O 2.84Å; E26-I285 PolarHBondContact O-N 2.84Å; F28-I285 HydrophobicContact CE2-CD1 4.04Å; F28-I285 HydrophobicContact CE2-CG1 4.5Å; F28-I285 HydrophobicContact CZ-CD1 4.24Å; W38-I285 HydrophobicContact CH2-CD1 3.69Å; W38-I285 HydrophobicContact CZ2-CD1 3.86Å; Q96-I285 CarbonylContact O-C 3.5Å; Q96-I285 WeakPolarHBondContact O-CA 3.38Å; F97-I285 HydrophobicContact CB-CB 4.41Å; F97-I285 HydrophobicContact CB-CG1 3.95Å; I112-I285 HydrophobicContact CD1-CG2 4.44Å; V269-I285 HydrophobicContact CG1-CG2 4.34Å; I271-I285 HydrophobicContact CD1-CD1 4.24Å; D283-I285 VanDerWaalsContact C-N 3.31Å; D283-I285 PolarHBondContact O-N 2.83Å |
| 286 | L | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.2 | -177.8 | 174 | 70.4 | 0 | 0 | 0 | 109.9 | V22 L24 E25 Q96 N284 T288 Y293 A294 F297 | V22-L286 HydrophobicContact CG1-CD1 3.77Å; L24-L286 CarbonylContact O-C 3.5Å; L24-L286 WeakPolarHBondContact O-CA 3.4Å; E25-L286 HydrophobicContact CB-CD1 4.45Å; Q96-L286 HydrophobicContact CB-CB 4.26Å; Q96-L286 PolarHBondContact N-O 2.87Å; Q96-L286 PolarHBondContact O-N 2.8Å; N284-L286 PolarHBondContact O-N 2.87Å; L286-T288 HydrophobicContact CD1-CG2 4.45Å; L286-T288 HydrophobicContact CD2-CG2 4.05Å; L286-T288 HydrophobicContact CG-CG2 4.14Å; L286-Y293 HydrophobicContact CD1-CD1 4.32Å; L286-Y293 HydrophobicContact CD1-CE1 3.89Å; L286-Y293 HydrophobicContact CD2-CD1 4.11Å; L286-Y293 HydrophobicContact CD2-CE1 4.23Å; L286-A294 HydrophobicContact CD2-CB 3.79Å; L286-F297 HydrophobicContact CB-CD1 4.15Å; L286-F297 HydrophobicContact CB-CE1 4.02Å; L286-F297 HydrophobicContact CD2-CB 4.03Å; L286-F297 HydrophobicContact CD2-CD1 3.72Å; L286-F297 HydrophobicContact CD2-CE1 4.42Å; L286-F297 HydrophobicContact CD2-CG 3.99Å; L286-F297 HydrophobicContact CG-CD1 4.45Å |
| 287 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.8 | 167.3 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | Y23 L24 F82 L93 V94 I114 V269 | Y23-V287 HydrophobicContact CD2-CG1 4.17Å; Y23-V287 PolarHBondContact N-O 3.34Å; L24-V287 HydrophobicContact CB-CB 4.31Å; L24-V287 HydrophobicContact CB-CG2 4.36Å; L24-V287 PolarHBondContact N-O 2.95Å; L24-V287 PolarHBondContact O-N 2.77Å; F82-V287 HydrophobicContact CE1-CG2 4.22Å; F82-V287 HydrophobicContact CE2-CG1 4.17Å; F82-V287 HydrophobicContact CZ-CB 4.39Å; F82-V287 HydrophobicContact CZ-CG1 3.93Å; F82-V287 HydrophobicContact CZ-CG2 4.28Å; L93-V287 HydrophobicContact CD1-CG1 3.87Å; V94-V287 WeakPolarHBondContact O-CA 3.08Å; I114-V287 HydrophobicContact CD1-CG2 4.34Å; V269-V287 HydrophobicContact CG2-CG2 3.74Å |
| 288 | T | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 164.6 | -176.9 | -177 | 0 | 0 | 0 | 0 | 111.2 | N21 V94 L286 N290 Y293 A294 | N21-T288 VanDerWaalsContact O-CA 3.25Å; N21-T288 WeakPolarHBondContact O-CA 3.05Å; N21-T288 WeakPolarHBondContact O-CB 3.48Å; N21-T288 PolarHBondContact O-OG1 3.05Å; V94-T288 HydrophobicContact CB-CG2 3.83Å; V94-T288 HydrophobicContact CG1-CG2 4.38Å; V94-T288 HydrophobicContact CG2-CG2 4.36Å; V94-T288 PolarHBondContact N-O 3.35Å; V94-T288 PolarHBondContact O-N 2.83Å; L286-T288 HydrophobicContact CD1-CG2 4.45Å; L286-T288 HydrophobicContact CD2-CG2 4.05Å; L286-T288 HydrophobicContact CG-CG2 4.14Å; T288-N290 WeakPolarHBondContact CG2-O 3.47Å; T288-N290 PolarHBondContact OG1-N 3.49Å; T288-Y293 HydrophobicContact CG2-CD1 4.34Å; T288-A294 HydrophobicContact CG2-CB 4.16Å |
| 289 | D | 88.9 | Confident | 91.4 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 8% | 0.08 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -90.1 | 2 | 171.6 | 66.8 | -2.9 | 0 | 0 | 0 | 114.3 | N21 Y23 S90 S92 | N21-D289 WeakPolarHBondContact CB-OD2 3.33Å; N21-D289 PolarHBondContact N-OD1 3.43Å; N21-D289 PolarHBondContact ND2-OD2 3.19Å; N21-D289 PolarHBondContact O-N 2.94Å; N21-D289 VanDerWaalsContact O-N 3.14Å; Y23-D289 HydrophobicContact CE2-CB 4Å; S90-D289 PolarHBondContact OG-OD2 3.27Å; S92-D289 PolarHBondContact N-O 3.36Å; S92-D289 VanDerWaalsContact N-O 3.1Å; S92-D289 CarbonylContact O-C 3.58Å; S92-D289 WeakPolarHBondContact O-CA 3.31Å; S92-D289 VanDerWaalsContact O-O 3.11Å |
| 290 | N | 87.6 | Confident | 91 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | trans | -127.5 | 108.2 | -166.7 | -168.8 | -45 | 0 | 0 | 0 | 113.3 | A20 T288 N292 Y293 A294 | A20-N290 HydrophobicContact CB-CB 3.54Å; T288-N290 WeakPolarHBondContact CG2-O 3.47Å; T288-N290 PolarHBondContact OG1-N 3.49Å; N290-N292 VanDerWaalsContact C-N 3.33Å; N290-N292 PolarHBondContact O-N 3.13Å; N290-N292 WeakPolarHBondContact OD1-CA 3.46Å; N290-N292 WeakPolarHBondContact OD1-CB 3.39Å; N290-N292 PolarHBondContact OD1-N 3.49Å; N290-Y293 WeakPolarHBondContact O-CB 3.34Å; N290-Y293 PolarHBondContact O-N 3.22Å; N290-Y293 PolarHBondContact OD1-N 3.49Å; N290-A294 PolarHBondContact O-N 2.86Å; N290-A294 VanDerWaalsContact O-N 3.12Å | ||
| 291 | E | 89.9 | Confident | 90.3 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 179 | -173 | 176 | 172.5 | 0 | 0 | 112.2 | V94 V176 H178 K184 Y293 A294 I295 | V94-E291 HydrophobicContact CG2-CB 4.32Å; V176-E291 HydrophobicContact CG2-CG 4.17Å; H178-E291 IonicContact CE1-OE2 3.62Å; H178-E291 PolarHBondContact CE1-OE2 2.94Å; K184-E291 IonicContact NZ-OE1 2.79Å; K184-E291 PolarHBondContact NZ-OE1 3.38Å; K184-E291 VanDerWaalsContact NZ-OE1 3.12Å; K184-E291 IonicContact NZ-OE2 3.5Å; K184-E291 PolarHBondContact NZ-OE2 3.09Å; E291-Y293 VanDerWaalsContact C-N 3.35Å; E291-Y293 PolarHBondContact O-N 3Å; E291-A294 PolarHBondContact O-N 3.17Å; E291-I295 HydrophobicContact CG-CD1 4.15Å; E291-I295 WeakPolarHBondContact O-CG1 3.29Å; E291-I295 PolarHBondContact O-N 2.9Å |
| 292 | N | 88.3 | Confident | 89.4 | Confident | 111 Ų | 111 | 36.9 Ų | 36.9 | 59% | 0.594 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -67.8 | -35.9 | 178.9 | -70.2 | -32.5 | 0 | 0 | 0 | 112.1 | N290 R296 | N290-N292 VanDerWaalsContact C-N 3.33Å; N290-N292 PolarHBondContact O-N 3.13Å; N290-N292 WeakPolarHBondContact OD1-CA 3.46Å; N290-N292 WeakPolarHBondContact OD1-CB 3.39Å; N290-N292 PolarHBondContact OD1-N 3.49Å; N292-R296 WeakPolarHBondContact O-CG 3.43Å; N292-R296 PolarHBondContact O-N 3.2Å |
| 293 | Y | 90.2 | Very high | 88 | Confident | 59 Ų | 59 | 40 Ų | 40 | 23% | 0.231 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 172.6 | -175.6 | -85.8 | 0 | 0 | 0 | 110.7 | A20 V22 E25 L286 T288 N290 E291 I295 R296 F297 | A20-Y293 HydrophobicContact CB-CD2 3.8Å; A20-Y293 HydrophobicContact CB-CG 3.85Å; V22-Y293 HydrophobicContact CG2-CD1 3.95Å; V22-Y293 HydrophobicContact CG2-CD2 4.43Å; V22-Y293 HydrophobicContact CG2-CE1 3.53Å; V22-Y293 HydrophobicContact CG2-CE2 4.04Å; V22-Y293 HydrophobicContact CG2-CG 4.4Å; E25-Y293 PolarHBondContact OE2-OH 3.44Å; L286-Y293 HydrophobicContact CD1-CD1 4.32Å; L286-Y293 HydrophobicContact CD1-CE1 3.89Å; L286-Y293 HydrophobicContact CD2-CD1 4.11Å; L286-Y293 HydrophobicContact CD2-CE1 4.23Å; T288-Y293 HydrophobicContact CG2-CD1 4.34Å; N290-Y293 WeakPolarHBondContact O-CB 3.34Å; N290-Y293 PolarHBondContact O-N 3.22Å; N290-Y293 PolarHBondContact OD1-N 3.49Å; E291-Y293 VanDerWaalsContact C-N 3.35Å; E291-Y293 PolarHBondContact O-N 3Å; Y293-I295 VanDerWaalsContact C-N 3.35Å; Y293-I295 PolarHBondContact O-N 3.1Å; Y293-R296 PolarHBondContact O-N 2.85Å; Y293-R296 VanDerWaalsContact O-N 3.12Å; Y293-F297 HydrophobicContact CE1-CB 4.32Å; Y293-F297 WeakPolarHBondContact O-CB 3.32Å; Y293-F297 PolarHBondContact O-N 2.88Å |
| 294 | A | 92.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V94 Q96 L286 T288 N290 E291 F297 A298 | V94-A294 HydrophobicContact CB-CB 4.46Å; V94-A294 HydrophobicContact CG1-CB 3.55Å; Q96-A294 PolarHBondContact NE2-O 2.87Å; Q96-A294 PolarHBondContact OE1-O 2.81Å; L286-A294 HydrophobicContact CD2-CB 3.79Å; T288-A294 HydrophobicContact CG2-CB 4.16Å; N290-A294 PolarHBondContact O-N 2.86Å; N290-A294 VanDerWaalsContact O-N 3.12Å; E291-A294 PolarHBondContact O-N 3.17Å; A294-F297 PolarHBondContact O-N 2.82Å; A294-A298 WeakPolarHBondContact O-CB 3.42Å; A294-A298 PolarHBondContact O-N 2.75Å |
| 295 | I | 90.4 | Very high | 84.3 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.1 | -67.3 | 166.8 | 0 | 0 | 0 | 110.9 | E291 Y293 A298 K299 | E291-I295 HydrophobicContact CG-CD1 4.15Å; E291-I295 WeakPolarHBondContact O-CG1 3.29Å; E291-I295 PolarHBondContact O-N 2.9Å; Y293-I295 VanDerWaalsContact C-N 3.35Å; Y293-I295 PolarHBondContact O-N 3.1Å; I295-A298 PolarHBondContact O-N 2.61Å; I295-K299 HydrophobicContact CG2-CD 4.27Å; I295-K299 WeakPolarHBondContact O-CB 3.34Å; I295-K299 VanDerWaalsContact O-CG 3.3Å; I295-K299 WeakPolarHBondContact O-CG 3.42Å; I295-K299 PolarHBondContact O-N 2.81Å |
| 296 | R | 88.4 | Confident | 82.1 | Confident | 135 Ų | 135 | 53.1 Ų | 53.1 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.8 | -75.2 | -173.7 | -65.3 | -170.1 | 2 | 111.7 | N292 Y293 K299 K300 | N292-R296 WeakPolarHBondContact O-CG 3.43Å; N292-R296 PolarHBondContact O-N 3.2Å; Y293-R296 PolarHBondContact O-N 2.85Å; Y293-R296 VanDerWaalsContact O-N 3.12Å; R296-K299 PolarHBondContact O-N 3.03Å; R296-K300 WeakPolarHBondContact O-CB 3.3Å; R296-K300 PolarHBondContact O-N 2.84Å |
| 297 | F | 90 | Very high | 79.4 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -50.4 | 175.1 | 179.1 | -102.3 | 0 | 0 | 0 | 110.8 | E25 R27 N284 L286 Y293 A294 K299 K300 T301 | E25-F297 HydrophobicContact CG-CE2 3.77Å; E25-F297 HydrophobicContact CG-CZ 4.04Å; E25-F297 WeakPolarHBondContact OE1-CE2 3.4Å; R27-F297 HydrophobicContact CG-CE2 4.31Å; R27-F297 HydrophobicContact CG-CZ 4.06Å; N284-F297 HydrophobicContact CB-CE1 3.92Å; N284-F297 HydrophobicContact CB-CZ 4.34Å; L286-F297 HydrophobicContact CB-CD1 4.15Å; L286-F297 HydrophobicContact CB-CE1 4.02Å; L286-F297 HydrophobicContact CD2-CB 4.03Å; L286-F297 HydrophobicContact CD2-CD1 3.72Å; L286-F297 HydrophobicContact CD2-CE1 4.42Å; L286-F297 HydrophobicContact CD2-CG 3.99Å; L286-F297 HydrophobicContact CG-CD1 4.45Å; Y293-F297 HydrophobicContact CE1-CB 4.32Å; Y293-F297 WeakPolarHBondContact O-CB 3.32Å; Y293-F297 PolarHBondContact O-N 2.88Å; A294-F297 PolarHBondContact O-N 2.82Å; F297-K299 VanDerWaalsContact C-N 3.34Å; F297-K299 PolarHBondContact O-N 2.87Å; F297-K300 WeakPolarHBondContact O-CB 3.4Å; F297-K300 PolarHBondContact O-N 2.84Å; F297-K300 VanDerWaalsContact O-N 3.09Å; F297-T301 HydrophobicContact CD2-CG2 4.07Å; F297-T301 HydrophobicContact CE2-CG2 3.77Å; F297-T301 HydrophobicContact CZ-CG2 4.05Å; F297-T301 PolarHBondContact O-N 3.01Å; F297-T301 PolarHBondContact O-OG1 2.71Å; F297-T301 VanDerWaalsContact O-OG1 3.05Å |
| 298 | A | 89.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.2 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L172 L189 A294 I295 K300 W302 Q303 | L172-A298 HydrophobicContact CD2-CB 3.47Å; L172-A298 VanDerWaalsContact CD2-CB 3.47Å; L189-A298 HydrophobicContact CD1-CB 4.17Å; L189-A298 HydrophobicContact CD2-CB 3.75Å; L189-A298 HydrophobicContact CG-CB 4.35Å; A294-A298 WeakPolarHBondContact O-CB 3.42Å; A294-A298 PolarHBondContact O-N 2.75Å; I295-A298 PolarHBondContact O-N 2.61Å; A298-K300 VanDerWaalsContact C-N 3.3Å; A298-K300 PolarHBondContact O-N 2.8Å; A298-W302 WeakPolarHBondContact O-CA 3.38Å; A298-W302 WeakPolarHBondContact O-CB 3.14Å; A298-W302 PolarHBondContact O-N 3.23Å; A298-Q303 PolarHBondContact O-N 3.17Å; A298-Q303 VanDerWaalsContact O-N 3.1Å |
| 299 | K | 84.9 | Confident | 73.5 | Confident | 107 Ų | 107 | 72.5 Ų | 72.5 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -63 | -41 | 178.1 | -74 | -175.9 | 174.4 | -176.7 | 0 | 111.3 | L189 I295 R296 F297 L304 | L189-K299 HydrophobicContact CD1-CG 4.24Å; I295-K299 HydrophobicContact CG2-CD 4.27Å; I295-K299 WeakPolarHBondContact O-CB 3.34Å; I295-K299 VanDerWaalsContact O-CG 3.3Å; I295-K299 WeakPolarHBondContact O-CG 3.42Å; I295-K299 PolarHBondContact O-N 2.81Å; R296-K299 PolarHBondContact O-N 3.03Å; F297-K299 VanDerWaalsContact C-N 3.34Å; F297-K299 PolarHBondContact O-N 2.87Å; K299-L304 PolarHBondContact O-N 2.91Å |
| 300 | K | 82.2 | Confident | 70.8 | Confident | 148 Ų | 148 | 76.5 Ų | 76.5 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | I | π-helix | trans | -67.7 | -45 | -179.8 | -170.9 | -178.8 | 175.6 | -170.1 | 0 | 112.5 | R296 F297 A298 | R296-K300 WeakPolarHBondContact O-CB 3.3Å; R296-K300 PolarHBondContact O-N 2.84Å; F297-K300 WeakPolarHBondContact O-CB 3.4Å; F297-K300 PolarHBondContact O-N 2.84Å; F297-K300 VanDerWaalsContact O-N 3.09Å; A298-K300 VanDerWaalsContact C-N 3.3Å; A298-K300 PolarHBondContact O-N 2.8Å |
| 301 | T | 79.5 | Confident | 68 | Low | 8 Ų | 8 | 82.7 Ų | 82.7 | 5% | 0.049 | 41% | 0.411 | C | S | . | . | I | π-helix | trans | -100.2 | -30.1 | -168.8 | 63.8 | 0 | 0 | 0 | 0 | 114 | N284 F297 | N284-T301 WeakPolarHBondContact OD1-CB 3.3Å; N284-T301 PolarHBondContact OD1-OG1 2.84Å; F297-T301 HydrophobicContact CD2-CG2 4.07Å; F297-T301 HydrophobicContact CE2-CG2 3.77Å; F297-T301 HydrophobicContact CZ-CG2 4.05Å; F297-T301 PolarHBondContact O-N 3.01Å; F297-T301 PolarHBondContact O-OG1 2.71Å; F297-T301 VanDerWaalsContact O-OG1 3.05Å |
| 302 | W | 75.5 | Confident | 65.4 | Low | 29 Ų | 29 | 85.2 Ų | 85.2 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | I | π-helix | trans | -109.9 | -45.8 | -175.2 | 179.3 | 86.7 | 0 | 0 | 0 | 113.4 | T170 L172 D188 A298 N306 | T170-W302 PolarHBondContact O-NE1 3.34Å; L172-W302 HydrophobicContact CB-CD2 4Å; L172-W302 HydrophobicContact CB-CE3 4.44Å; L172-W302 HydrophobicContact CB-CG 4.24Å; L172-W302 HydrophobicContact CB-CZ2 4.48Å; L172-W302 HydrophobicContact CD2-CE3 4.39Å; D188-W302 HydrophobicContact CB-CH2 3.62Å; D188-W302 HydrophobicContact CB-CZ2 4.11Å; D188-W302 HydrophobicContact CB-CZ3 4.4Å; D188-W302 VanDerWaalsContact OD1-CZ2 3.3Å; D188-W302 WeakPolarHBondContact OD1-CZ2 3.47Å; A298-W302 WeakPolarHBondContact O-CA 3.38Å; A298-W302 WeakPolarHBondContact O-CB 3.14Å; A298-W302 PolarHBondContact O-N 3.23Å; W302-N306 WeakPolarHBondContact CZ2-ND2 3.46Å |
| 303 | Q | 64.4 | Low | 62.6 | Low | 65 Ų | 65 | 87.6 Ų | 87.6 | 30% | 0.304 | 44% | 0.443 | S | S | . | . | I | π-helix | trans | -73.3 | -38.3 | -176.5 | -75.3 | -159.3 | -39.8 | 0 | 0 | 114.4 | L189 A298 Y305 N306 N307 | L189-Q303 HydrophobicContact CD1-CG 4.06Å; A298-Q303 PolarHBondContact O-N 3.17Å; A298-Q303 VanDerWaalsContact O-N 3.1Å; Q303-Y305 PolarHBondContact O-N 3.04Å; Q303-N306 PolarHBondContact O-N 3.34Å; Q303-N307 PolarHBondContact O-N 2.67Å |
| 304 | L | 53.6 | Low | 60.1 | Low | 116 Ų | 116 | 93.2 Ų | 93.2 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -55.8 | -21.2 | -179.4 | -100.1 | 153.5 | 0 | 0 | 0 | 113.2 | K299 | K299-L304 PolarHBondContact O-N 2.91Å |
| 305 | Y | 54.4 | Low | 57.2 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 34% | 0.337 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -105.5 | -17.4 | -175.8 | -65.5 | -82.5 | 0 | 0 | 0 | 114.3 | D60 V63 Q303 | D60-Y305 HydrophobicContact CB-CD1 3.55Å; D60-Y305 HydrophobicContact CB-CE1 3.7Å; V63-Y305 HydrophobicContact CB-CE1 4.01Å; V63-Y305 HydrophobicContact CB-CE2 4.06Å; V63-Y305 HydrophobicContact CG1-CD2 3.93Å; V63-Y305 HydrophobicContact CG1-CE1 4.34Å; V63-Y305 HydrophobicContact CG1-CE2 3.47Å; V63-Y305 VanDerWaalsContact CG1-CE2 3.47Å; V63-Y305 HydrophobicContact CG2-CE1 4.04Å; V63-Y305 HydrophobicContact CG2-CE2 4.34Å; V63-Y305 WeakPolarHBondContact CG2-OH 3.32Å; Q303-Y305 PolarHBondContact O-N 3.04Å |
| 306 | N | 50.4 | Low | 54.6 | Low | 94 Ų | 94 | 103.8 Ų | 103.8 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -86.4 | -14.5 | 172.7 | -82.1 | -25.3 | 0 | 0 | 0 | 113.2 | W302 Q303 | W302-N306 WeakPolarHBondContact CZ2-ND2 3.46Å; Q303-N306 PolarHBondContact O-N 3.34Å |
| 307 | N | 39.7 | Very low | 51.8 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 65% | 0.647 | 54% | 0.535 | S | S | * | . | trans | -114.9 | 72.7 | 175.1 | -75.6 | -30.8 | 0 | 0 | 0 | 110.6 | Q303 M309 | Q303-N307 PolarHBondContact O-N 2.67Å; N307-M309 VanDerWaalsContact C-N 3.29Å; N307-M309 PolarHBondContact O-N 2.62Å | ||
| 308 | V | 34.2 | Very low | 49.1 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 76% | 0.758 | 57% | 0.569 | S | S | * | * | trans | -74.8 | 89.3 | 163.5 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 309 | M | 30.2 | Very low | 46.6 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 79% | 0.793 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 179.8 | 114.6 | 146.7 | -97.6 | -60.5 | -147.9 | 0 | 0 | 110 | N307 | N307-M309 VanDerWaalsContact C-N 3.29Å; N307-M309 PolarHBondContact O-N 2.62Å |
| 310 | S | 30.2 | Very low | 44.1 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 62% | 0.619 | S | S | * | * | trans | 61.6 | 108 | 153.5 | 48.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 311 | L | 30.4 | Very low | 41.9 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 87% | 0.869 | 63% | 0.629 | S | S | * | * | -170.8 | 148.3 | 104.4 | -116.5 | 96.8 | 0 | 0 | 0 | 112.1 | |||||
| 312 | P | 34.4 | Very low | 40 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 62% | 0.623 | 66% | 0.658 | S | S | * | * | trans | -83.7 | 152.9 | -167.8 | 34.3 | -32.4 | 0 | 0 | 0 | 113.1 | F314 | P312-F314 PolarHBondContact O-N 2.78Š| ||
| 313 | L | 30.3 | Very low | 38.3 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | -52 | 118.8 | 161.9 | -92.3 | 80 | 0 | 0 | 0 | 109.7 | ||||
| 314 | F | 36.7 | Very low | 37.4 | Very low | 177 Ų | 177 | 132 Ų | 132 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -123.8 | 106.3 | 153.2 | -104 | -84.4 | 0 | 0 | 0 | 109.1 | P312 I316 | P312-F314 PolarHBondContact O-N 2.78Å; F314-I316 HydrophobicContact CD1-CD1 3.99Å; F314-I316 PolarHBondContact O-N 3.13Å | ||
| 315 | L | 31.5 | Very low | 37.5 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | -55.1 | 127.1 | 149 | -82.6 | 95.1 | 0 | 0 | 0 | 107.6 | ||||
| 316 | I | 35.8 | Very low | 38.1 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | trans | -142.8 | 104 | 136.3 | -81.1 | 119.2 | 0 | 0 | 0 | 106.9 | F314 L318 | F314-I316 HydrophobicContact CD1-CD1 3.99Å; F314-I316 PolarHBondContact O-N 3.13Å; I316-L318 HydrophobicContact CG2-CB 4.32Å | ||
| 317 | T | 30.5 | Very low | 39.4 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 113.5 | 155.5 | 44.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 318 | L | 33.2 | Very low | 41.8 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | -147 | 81 | 156 | -136.9 | 100.4 | 0 | 0 | 0 | 108.4 | I316 S320 | I316-L318 HydrophobicContact CG2-CB 4.32Å; L318-S320 PolarHBondContact O-N 2.6Å | ||
| 319 | F | 36 | Very low | 44.7 | Very low | 201 Ų | 201 | 126.9 Ų | 126.9 | 88% | 0.882 | 69% | 0.692 | S | S | * | * | trans | -79.8 | 95.9 | 168.8 | -110.8 | -90.3 | 0 | 0 | 0 | 107.9 | F321 | F319-F321 PolarHBondContact O-N 3.22Š| ||
| 320 | S | 34.2 | Very low | 47.9 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | trans | -68.1 | 112.7 | 157.9 | -64.8 | 0 | 0 | 0 | 0 | 107.4 | L318 V322 | L318-S320 PolarHBondContact O-N 2.6Å; S320-V322 PolarHBondContact O-N 3.46Å | ||
| 321 | F | 35.2 | Very low | 51.1 | Low | 195 Ų | 195 | 115.3 Ų | 115.3 | 86% | 0.855 | 63% | 0.625 | S | S | * | * | trans | -63.5 | 88.4 | 166.2 | -103.5 | -97.9 | 0 | 0 | 0 | 108.2 | F319 | F319-F321 PolarHBondContact O-N 3.22Š| ||
| 322 | V | 38.7 | Very low | 54.3 | Low | 110 Ų | 110 | 110.7 Ų | 110.7 | 67% | 0.667 | 60% | 0.597 | S | S | * | * | trans | -81.1 | 123.5 | 156.3 | -169.8 | 0 | 0 | 0 | 0 | 104.8 | S320 N324 | S320-V322 PolarHBondContact O-N 3.46Å; V322-N324 PolarHBondContact O-N 2.89Å | ||
| 323 | A | 40.4 | Very low | 57.3 | Low | 84 Ų | 84 | 106.3 Ų | 106.3 | 69% | 0.694 | 57% | 0.568 | S | S | * | * | trans | -58.8 | 102.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | V325 | A323-V325 VanDerWaalsContact C-N 3.27Å; A323-V325 PolarHBondContact O-N 2.73Å | ||
| 324 | N | 45.4 | Very low | 60.3 | Low | 149 Ų | 149 | 101.6 Ų | 101.6 | 80% | 0.797 | 54% | 0.539 | S | S | * | . | trans | -68.1 | 93.1 | 170 | -76 | -36.1 | 0 | 0 | 0 | 106.5 | V322 D326 | V322-N324 PolarHBondContact O-N 2.89Å; N324-D326 PolarHBondContact O-N 2.98Å | ||
| 325 | V | 55.7 | Low | 63.1 | Low | 120 Ų | 120 | 93.1 Ų | 93.1 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -67 | 121.8 | 160.9 | 179.2 | 0 | 0 | 0 | 0 | 105.2 | A323 | A323-V325 VanDerWaalsContact C-N 3.27Å; A323-V325 PolarHBondContact O-N 2.73Å |
| 326 | D | 67.5 | Low | 65.7 | Low | 137 Ų | 137 | 88.8 Ų | 88.8 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 134.6 | 176.2 | -71.3 | -43.6 | 0 | 0 | 0 | 109.1 | N324 N328 | N324-D326 PolarHBondContact O-N 2.98Å; D326-N328 PolarHBondContact O-N 2.91Å |
| 327 | P | 77.9 | Confident | 68.3 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 29% | 0.286 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 136.1 | -178.1 | 24.1 | -32.6 | 0 | 0 | 0 | 110.3 | V329 D643 F646 | P327-V329 PolarHBondContact O-N 2.91Å; P327-D643 HydrophobicContact CB-CB 3.78Å; P327-F646 HydrophobicContact CB-CB 3.73Å; P327-F646 HydrophobicContact CB-CD1 4.38Å; P327-F646 HydrophobicContact CB-CD2 4.14Å; P327-F646 HydrophobicContact CB-CG 3.82Å; P327-F646 HydrophobicContact CG-CB 3.99Å; P327-F646 HydrophobicContact CG-CD1 4.41Å; P327-F646 HydrophobicContact CG-CD2 3.47Å; P327-F646 VanDerWaalsContact CG-CD2 3.47Å; P327-F646 HydrophobicContact CG-CE2 4.02Å; P327-F646 HydrophobicContact CG-CG 3.69Å |
| 328 | N | 90 | Very high | 71 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 41% | 0.412 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 118.7 | 175.1 | -58 | -58 | 0 | 0 | 0 | 108.9 | D326 Y330 T641 D642 | D326-N328 PolarHBondContact O-N 2.91Å; N328-Y330 HydrophobicContact CB-CE1 4.47Å; N328-Y330 HydrophobicContact CB-CE2 4.1Å; N328-T641 WeakPolarHBondContact O-CA 3.09Å; N328-T641 WeakPolarHBondContact O-CB 3.5Å; N328-T641 PolarHBondContact O-OG1 3.38Å; N328-D642 WeakPolarHBondContact CB-OD1 3.13Å; N328-D642 PolarHBondContact N-OD1 3.07Å; N328-D642 PolarHBondContact ND2-OD2 3.16Å; N328-D642 PolarHBondContact O-N 2.93Å |
| 329 | V | 95 | Very high | 73.8 | Confident | 55 Ų | 55 | 78 Ų | 78 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.9 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | P327 L639 F646 | P327-V329 PolarHBondContact O-N 2.91Å; V329-L639 HydrophobicContact CG1-CD1 4.03Å; V329-F646 HydrophobicContact CG2-CD1 3.91Å; V329-F646 HydrophobicContact CG2-CE1 3.35Å; V329-F646 HydrophobicContact CG2-CZ 3.84Å |
| 330 | Y | 97 | Very high | 76.5 | Confident | 16 Ų | 16 | 70 Ų | 70 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -25.4 | -178.3 | -58.8 | -75.7 | 0 | 0 | 0 | 112.4 | N328 D390 T391 F393 K398 I640 D642 | N328-Y330 HydrophobicContact CB-CE1 4.47Å; N328-Y330 HydrophobicContact CB-CE2 4.1Å; Y330-D390 PolarHBondContact O-N 3.46Å; Y330-T391 HydrophobicContact CD1-CG2 4.33Å; Y330-T391 PolarHBondContact O-N 2.92Å; Y330-F393 HydrophobicContact CD1-CB 3.74Å; Y330-F393 HydrophobicContact CD1-CD2 4.07Å; Y330-F393 HydrophobicContact CD1-CG 4.08Å; Y330-F393 HydrophobicContact CD2-CB 4.17Å; Y330-F393 HydrophobicContact CD2-CD1 4Å; Y330-F393 AromaticContact CD2-CD2 3.86Å; Y330-F393 HydrophobicContact CD2-CD2 3.86Å; Y330-F393 HydrophobicContact CD2-CE1 4.29Å; Y330-F393 HydrophobicContact CD2-CE2 4.19Å; Y330-F393 AromaticContact CD2-CG 3.77Å; Y330-F393 HydrophobicContact CD2-CG 3.77Å; Y330-F393 HydrophobicContact CD2-CZ 4.41Å; Y330-F393 HydrophobicContact CE1-CB 4.07Å; Y330-F393 AromaticContact CE1-CD2 3.58Å; Y330-F393 HydrophobicContact CE1-CD2 3.58Å; Y330-F393 HydrophobicContact CE1-CE2 4.31Å; Y330-F393 HydrophobicContact CE1-CG 4.07Å; Y330-F393 HydrophobicContact CE2-CB 4.46Å; Y330-F393 HydrophobicContact CE2-CD1 4.14Å; Y330-F393 AromaticContact CE2-CD2 3.32Å; Y330-F393 HydrophobicContact CE2-CD2 3.32Å; Y330-F393 HydrophobicContact CE2-CE1 4.14Å; Y330-F393 AromaticContact CE2-CE2 3.37Å; Y330-F393 HydrophobicContact CE2-CE2 3.37Å; Y330-F393 AromaticContact CE2-CG 3.75Å; Y330-F393 HydrophobicContact CE2-CG 3.75Å; Y330-F393 AromaticContact CE2-CZ 3.81Å; Y330-F393 HydrophobicContact CE2-CZ 3.81Å; Y330-F393 HydrophobicContact CG-CB 3.82Å; Y330-F393 HydrophobicContact CG-CD1 4.46Å; Y330-F393 HydrophobicContact CG-CD2 4.21Å; Y330-F393 AromaticContact CG-CG 3.95Å; Y330-F393 HydrophobicContact CG-CG 3.95Å; Y330-F393 AromaticContact CZ-CD2 3.17Å; Y330-F393 AromaticContact CZ-CE2 3.45Å; Y330-F393 VanDerWaalsContact CZ-CE2 3.45Å; Y330-F393 AromaticContact CZ-CG 3.91Å; Y330-F393 WeakPolarHBondContact OH-CE2 3.13Å; Y330-K398 PolarHBondContact OH-NZ 3.15Å; Y330-I640 HydrophobicContact CD2-CG2 4.27Å; Y330-I640 PolarHBondContact N-O 3.13Å; Y330-D642 HydrophobicContact CE2-CB 4.03Å; Y330-D642 PolarHBondContact OH-OD2 3.23Å |
| 331 | L | 97.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 134.9 | 170.2 | 172.7 | 67.4 | 0 | 0 | 0 | 108.6 | R387 L389 V622 I638 L639 I640 | L331-R387 VanDerWaalsContact CD1-CZ 3.49Å; L331-L389 HydrophobicContact CB-CG 4.07Å; L331-L389 HydrophobicContact CD2-CD1 4.39Å; L331-V622 HydrophobicContact CD2-CG1 4.26Å; L331-V622 HydrophobicContact CD2-CG2 3.47Å; L331-V622 VanDerWaalsContact CD2-CG2 3.47Å; L331-I638 HydrophobicContact CD2-CG2 3.97Å; L331-L639 CarbonylContact O-C 3.5Å; L331-L639 WeakPolarHBondContact O-CA 3.49Å; L331-I640 HydrophobicContact CB-CB 4.22Å; L331-I640 HydrophobicContact CD2-CD1 4.49Å; L331-I640 PolarHBondContact N-O 2.78Å; L331-I640 PolarHBondContact O-N 3.1Å |
| 332 | Y | 97.1 | Very high | 82.2 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 28% | 0.275 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 106.3 | 164 | -173.7 | -159 | 0 | 0 | 0 | 110.3 | R334 I638 L639 V650 | Y332-R334 HydrophobicContact CD2-CG 4.09Å; Y332-R334 HydrophobicContact CE1-CG 4.34Å; Y332-R334 HydrophobicContact CE2-CG 3.56Å; Y332-R334 WeakPolarHBondContact OH-CD 3.08Å; Y332-I638 CarbonylContact C-O 3.57Å; Y332-I638 VanDerWaalsContact CA-O 3.31Å; Y332-I638 WeakPolarHBondContact CA-O 3.41Å; Y332-L639 HydrophobicContact CD2-CB 4.38Å; Y332-L639 HydrophobicContact CD2-CD1 4.25Å; Y332-L639 HydrophobicContact CG-CD1 4.23Å; Y332-V650 HydrophobicContact CE1-CG2 4.46Å; Y332-V650 HydrophobicContact CE2-CG1 3.87Å; Y332-V650 WeakPolarHBondContact OH-CG1 3.49Å |
| 333 | E | 97 | Very high | 84.9 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.019 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.6 | -179.9 | 178.6 | 67.7 | -93.3 | 0 | 0 | 110.9 | F335 R344 W345 R387 N637 I638 | E333-F335 HydrophobicContact CG-CD1 3.94Å; E333-F335 HydrophobicContact CG-CD2 4.02Å; E333-F335 HydrophobicContact CG-CE1 3.55Å; E333-F335 HydrophobicContact CG-CE2 3.64Å; E333-F335 HydrophobicContact CG-CG 4.18Å; E333-F335 HydrophobicContact CG-CZ 3.39Å; E333-F335 PolarHBondContact OE1-N 2.83Å; E333-F335 VanDerWaalsContact OE1-N 3.07Å; E333-R344 IonicContact OE1-CZ 3.89Å; E333-R344 IonicContact OE1-NE 3.01Å; E333-R344 IonicContact OE1-NH2 2.71Å; E333-R344 PolarHBondContact OE1-NH2 2.78Å; E333-R344 IonicContact OE2-CZ 3.72Å; E333-R344 IonicContact OE2-NE 3.89Å; E333-R344 PolarHBondContact OE2-NE 3.26Å; E333-R344 IonicContact OE2-NH2 3.92Å; E333-R344 PolarHBondContact OE2-NH2 3.48Å; E333-W345 HydrophobicContact CG-CZ2 4.05Å; E333-W345 PolarHBondContact OE2-NE1 2.89Å; E333-R387 IonicContact OE2-CZ 3.85Å; E333-R387 IonicContact OE2-NH1 3.23Å; E333-R387 PolarHBondContact OE2-NH1 3.08Å; E333-N637 CarbonylContact O-C 3.55Å; E333-N637 WeakPolarHBondContact O-CA 3.3Å; E333-N637 PolarHBondContact O-N 3.45Å; E333-I638 HydrophobicContact CB-CB 4.28Å; E333-I638 PolarHBondContact N-O 2.83Å; E333-I638 PolarHBondContact O-N 3.14Å |
| 334 | R | 94.4 | Very high | 87.6 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | trans | -126.2 | -5.1 | -176.8 | -65.9 | -177 | 64.6 | -145.8 | -11.4 | 114 | Y332 D336 D370 D636 | Y332-R334 HydrophobicContact CD2-CG 4.09Å; Y332-R334 HydrophobicContact CE1-CG 4.34Å; Y332-R334 HydrophobicContact CE2-CG 3.56Å; Y332-R334 WeakPolarHBondContact OH-CD 3.08Å; R334-D336 HydrophobicContact CB-CB 4.38Å; R334-D336 IonicContact CZ-OD2 3.56Å; R334-D336 VanDerWaalsContact CZ-OD2 3.25Å; R334-D336 IonicContact NE-OD2 3.52Å; R334-D336 IonicContact NH1-OD2 3.85Å; R334-D336 PolarHBondContact NH1-OD2 2.82Å; R334-D336 IonicContact NH2-OD2 2.75Å; R334-D336 PolarHBondContact O-N 2.86Å; R334-D370 IonicContact NH2-OD1 3.07Å; R334-D370 PolarHBondContact NH2-OD1 3.25Å; R334-D636 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 335 | F | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | 52.2 | 22.9 | -179.2 | -51 | -76.7 | 0 | 0 | 0 | 115.3 | E333 D337 W341 W345 R359 I374 I638 | E333-F335 HydrophobicContact CG-CD1 3.94Å; E333-F335 HydrophobicContact CG-CD2 4.02Å; E333-F335 HydrophobicContact CG-CE1 3.55Å; E333-F335 HydrophobicContact CG-CE2 3.64Å; E333-F335 HydrophobicContact CG-CG 4.18Å; E333-F335 HydrophobicContact CG-CZ 3.39Å; E333-F335 PolarHBondContact OE1-N 2.83Å; E333-F335 VanDerWaalsContact OE1-N 3.07Å; F335-D337 VanDerWaalsContact C-N 3.34Å; F335-W341 HydrophobicContact CD1-CB 3.76Å; F335-W341 HydrophobicContact CD1-CD2 4.41Å; F335-W341 HydrophobicContact CD1-CG 4.01Å; F335-W341 HydrophobicContact CE1-CB 4.21Å; F335-W341 HydrophobicContact CE1-CE3 4.45Å; F335-W345 AromaticContact CE1-CE2 3.83Å; F335-W345 HydrophobicContact CE1-CZ2 4.22Å; F335-W345 AromaticContact CE1-NE1 3.4Å; F335-W345 AromaticContact CZ-CE2 3.86Å; F335-W345 AromaticContact CZ-CZ2 3.77Å; F335-W345 HydrophobicContact CZ-CZ2 3.77Å; F335-W345 AromaticContact CZ-NE1 3.86Å; F335-R359 PolarHBondContact O-NH1 2.98Å; F335-I374 HydrophobicContact CD1-CG2 3.51Å; F335-I374 HydrophobicContact CD2-CG2 4.44Å; F335-I374 HydrophobicContact CE1-CB 4.31Å; F335-I374 HydrophobicContact CE1-CD1 4.09Å; F335-I374 HydrophobicContact CE1-CG1 4.12Å; F335-I374 HydrophobicContact CE1-CG2 3.33Å; F335-I374 HydrophobicContact CE2-CD1 4.36Å; F335-I374 HydrophobicContact CE2-CG1 3.92Å; F335-I374 HydrophobicContact CE2-CG2 4.3Å; F335-I374 HydrophobicContact CG-CG2 4.06Å; F335-I374 HydrophobicContact CZ-CB 4.26Å; F335-I374 HydrophobicContact CZ-CD1 3.61Å; F335-I374 HydrophobicContact CZ-CG1 3.61Å; F335-I374 HydrophobicContact CZ-CG2 3.76Å; F335-I638 HydrophobicContact CE2-CD1 4.02Å; F335-I638 HydrophobicContact CZ-CD1 4Å | ||
| 336 | D | 87.5 | Confident | 92.1 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | trans | -91.9 | 5.5 | -173.3 | 69.4 | -16.6 | 0 | 0 | 0 | 113.5 | R334 R369 | R334-D336 HydrophobicContact CB-CB 4.38Å; R334-D336 IonicContact CZ-OD2 3.56Å; R334-D336 VanDerWaalsContact CZ-OD2 3.25Å; R334-D336 IonicContact NE-OD2 3.52Å; R334-D336 IonicContact NH1-OD2 3.85Å; R334-D336 PolarHBondContact NH1-OD2 2.82Å; R334-D336 IonicContact NH2-OD2 2.75Å; R334-D336 PolarHBondContact O-N 2.86Å; D336-R369 HydrophobicContact CB-CG 4.48Å | ||
| 337 | D | 88.8 | Confident | 93.5 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -114.6 | 31.1 | -171.9 | 66.1 | -10.6 | 0 | 0 | 0 | 113.9 | F335 A340 R344 | F335-D337 VanDerWaalsContact C-N 3.34Å; D337-A340 HydrophobicContact CB-CB 4.48Å; D337-A340 WeakPolarHBondContact O-CB 3.32Å; D337-R344 VanDerWaalsContact CG-NH2 3.34Å; D337-R344 IonicContact OD1-CZ 2.94Å; D337-R344 IonicContact OD1-NH1 3.46Å; D337-R344 IonicContact OD1-NH2 3.95Å; D337-R344 PolarHBondContact OD1-NH2 3.47Å; D337-R344 IonicContact OD2-CZ 2.92Å; D337-R344 IonicContact OD2-NH1 3.92Å; D337-R344 PolarHBondContact OD2-NH1 3.43Å; D337-R344 IonicContact OD2-NH2 3.72Å; D337-R344 PolarHBondContact OD2-NH2 3.09Å |
| 338 | G | 87.9 | Confident | 94.5 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 24% | 0.237 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -130.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | W341 R359 | G338-W341 VanDerWaalsContact O-CD1 3.27Å; G338-R359 VanDerWaalsContact N-NH1 3.19Å; G338-R359 WeakPolarHBondContact O-CD 3.36Å; G338-R359 VanDerWaalsContact O-CZ 3.28Å; G338-R359 PolarHBondContact O-NE 2.85Å; G338-R359 PolarHBondContact O-NH1 3.29Å |
| 339 | D | 91.8 | Very high | 94.8 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.4 | 176.8 | -88.6 | -0.6 | 0 | 0 | 0 | 112.7 | W341 K342 | D339-W341 PolarHBondContact O-N 2.73Å; D339-K342 HydrophobicContact CB-CD 4.21Å; D339-K342 VanDerWaalsContact CG-NZ 3.25Å; D339-K342 VanDerWaalsContact O-CB 3.31Å; D339-K342 WeakPolarHBondContact O-CB 3.25Å; D339-K342 WeakPolarHBondContact O-CG 3.37Å; D339-K342 PolarHBondContact O-N 3.46Å; D339-K342 IonicContact OD1-NZ 2.71Å; D339-K342 PolarHBondContact OD1-NZ 3.24Å; D339-K342 IonicContact OD2-NZ 2.74Å; D339-K342 PolarHBondContact OD2-NZ 3.32Å |
| 340 | A | 92.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 28% | 0.281 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -61.9 | -24.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D337 K342 N343 R344 | D337-A340 HydrophobicContact CB-CB 4.48Å; D337-A340 WeakPolarHBondContact O-CB 3.32Å; A340-K342 PolarHBondContact O-N 3.47Å; A340-N343 WeakPolarHBondContact O-CB 3.36Å; A340-N343 PolarHBondContact O-N 2.85Å; A340-R344 PolarHBondContact O-NH1 3.12Å |
| 341 | W | 94.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -55.4 | -31.3 | 171.8 | 74.4 | -87.2 | 0 | 0 | 0 | 113 | F335 G338 D339 N343 R344 W345 F357 I374 L385 | F335-W341 HydrophobicContact CD1-CB 3.76Å; F335-W341 HydrophobicContact CD1-CD2 4.41Å; F335-W341 HydrophobicContact CD1-CG 4.01Å; F335-W341 HydrophobicContact CE1-CB 4.21Å; F335-W341 HydrophobicContact CE1-CE3 4.45Å; G338-W341 VanDerWaalsContact O-CD1 3.27Å; D339-W341 PolarHBondContact O-N 2.73Å; W341-N343 PolarHBondContact O-N 2.77Å; W341-N343 VanDerWaalsContact O-N 3.17Å; W341-R344 PolarHBondContact O-N 3.49Å; W341-W345 HydrophobicContact CE3-CB 3.96Å; W341-W345 AromaticContact CE3-CD1 3.99Å; W341-W345 HydrophobicContact CE3-CG 4.07Å; W341-W345 HydrophobicContact CZ3-CB 4.24Å; W341-W345 PolarHBondContact O-N 2.72Å; W341-F357 HydrophobicContact CH2-CB 4.32Å; W341-I374 HydrophobicContact CD2-CG2 4.26Å; W341-I374 HydrophobicContact CE3-CG2 4.11Å; W341-I374 HydrophobicContact CH2-CG2 4.38Å; W341-I374 HydrophobicContact CZ3-CG2 4.18Å; W341-L385 HydrophobicContact CZ3-CD2 4.07Å |
| 342 | K | 94.8 | Very high | 94.7 | Very high | 110 Ų | 110 | 56.9 Ų | 56.9 | 48% | 0.478 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -63.5 | -20.9 | 177.3 | -62.5 | 175.9 | -179.4 | 168.1 | 0 | 113.1 | D339 A340 | D339-K342 HydrophobicContact CB-CD 4.21Å; D339-K342 VanDerWaalsContact CG-NZ 3.25Å; D339-K342 VanDerWaalsContact O-CB 3.31Å; D339-K342 WeakPolarHBondContact O-CB 3.25Å; D339-K342 WeakPolarHBondContact O-CG 3.37Å; D339-K342 PolarHBondContact O-N 3.46Å; D339-K342 IonicContact OD1-NZ 2.71Å; D339-K342 PolarHBondContact OD1-NZ 3.24Å; D339-K342 IonicContact OD2-NZ 2.74Å; D339-K342 PolarHBondContact OD2-NZ 3.32Å; A340-K342 PolarHBondContact O-N 3.47Å |
| 343 | N | 95.5 | Very high | 94.6 | Very high | 148 Ų | 148 | 58.8 Ų | 58.8 | 79% | 0.791 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -83.2 | -19.2 | 175 | -59.1 | -27.6 | 0 | 0 | 0 | 112.3 | A340 W341 | A340-N343 WeakPolarHBondContact O-CB 3.36Å; A340-N343 PolarHBondContact O-N 2.85Å; W341-N343 PolarHBondContact O-N 2.77Å; W341-N343 VanDerWaalsContact O-N 3.17Å |
| 344 | R | 96.7 | Very high | 94.6 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -32.5 | -176.2 | -54.7 | -172.5 | -67.6 | -89.6 | 8.1 | 112.5 | E333 D337 A340 W341 R387 | E333-R344 IonicContact OE1-CZ 3.89Å; E333-R344 IonicContact OE1-NE 3.01Å; E333-R344 IonicContact OE1-NH2 2.71Å; E333-R344 PolarHBondContact OE1-NH2 2.78Å; E333-R344 IonicContact OE2-CZ 3.72Å; E333-R344 IonicContact OE2-NE 3.89Å; E333-R344 PolarHBondContact OE2-NE 3.26Å; E333-R344 IonicContact OE2-NH2 3.92Å; E333-R344 PolarHBondContact OE2-NH2 3.48Å; D337-R344 VanDerWaalsContact CG-NH2 3.34Å; D337-R344 IonicContact OD1-CZ 2.94Å; D337-R344 IonicContact OD1-NH1 3.46Å; D337-R344 IonicContact OD1-NH2 3.95Å; D337-R344 PolarHBondContact OD1-NH2 3.47Å; D337-R344 IonicContact OD2-CZ 2.92Å; D337-R344 IonicContact OD2-NH1 3.92Å; D337-R344 PolarHBondContact OD2-NH1 3.43Å; D337-R344 IonicContact OD2-NH2 3.72Å; D337-R344 PolarHBondContact OD2-NH2 3.09Å; A340-R344 PolarHBondContact O-NH1 3.12Å; W341-R344 PolarHBondContact O-N 3.49Å; R344-R387 HydrophobicContact CB-CG 4.48Å; R344-R387 VanDerWaalsContact CD-CZ 3.45Å; R344-R387 WeakPolarHBondContact O-CB 3.49Å; R344-R387 VanDerWaalsContact O-CG 3.25Å; R344-R387 WeakPolarHBondContact O-CG 3.45Å |
| 345 | W | 98 | Very high | 94.7 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | trans | -98.2 | 131 | -179.7 | -69.5 | 82.7 | 0 | 0 | 0 | 111.3 | E333 F335 W341 L385 S386 R387 V622 F624 I638 | E333-W345 HydrophobicContact CG-CZ2 4.05Å; E333-W345 PolarHBondContact OE2-NE1 2.89Å; F335-W345 AromaticContact CE1-CE2 3.83Å; F335-W345 HydrophobicContact CE1-CZ2 4.22Å; F335-W345 AromaticContact CE1-NE1 3.4Å; F335-W345 AromaticContact CZ-CE2 3.86Å; F335-W345 AromaticContact CZ-CZ2 3.77Å; F335-W345 HydrophobicContact CZ-CZ2 3.77Å; F335-W345 AromaticContact CZ-NE1 3.86Å; W341-W345 HydrophobicContact CE3-CB 3.96Å; W341-W345 AromaticContact CE3-CD1 3.99Å; W341-W345 HydrophobicContact CE3-CG 4.07Å; W341-W345 HydrophobicContact CZ3-CB 4.24Å; W341-W345 PolarHBondContact O-N 2.72Å; W345-L385 HydrophobicContact CB-CD1 4.13Å; W345-L385 HydrophobicContact CB-CD2 4.1Å; W345-L385 HydrophobicContact CB-CG 4.11Å; W345-L385 HydrophobicContact CD2-CD2 3.99Å; W345-L385 HydrophobicContact CD2-CG 4.37Å; W345-L385 HydrophobicContact CE3-CD2 3.61Å; W345-L385 HydrophobicContact CE3-CG 3.71Å; W345-L385 HydrophobicContact CG-CD2 4.24Å; W345-L385 HydrophobicContact CZ3-CD2 4.32Å; W345-L385 HydrophobicContact CZ3-CG 4.49Å; W345-S386 CarbonylContact C-O 3.54Å; W345-S386 WeakPolarHBondContact CA-O 3.23Å; W345-R387 HydrophobicContact CD2-CB 3.74Å; W345-R387 HydrophobicContact CE3-CB 3.81Å; W345-R387 HydrophobicContact CG-CB 4.13Å; W345-R387 HydrophobicContact CZ2-CB 4.41Å; W345-R387 HydrophobicContact CZ3-CB 4.23Å; W345-V622 HydrophobicContact CH2-CG2 4.29Å; W345-F624 HydrophobicContact CH2-CD2 4.02Å; W345-F624 AromaticContact CH2-CE2 3.55Å; W345-F624 HydrophobicContact CH2-CE2 3.55Å; W345-F624 AromaticContact CZ3-CD2 3.83Å; W345-F624 HydrophobicContact CZ3-CD2 3.83Å; W345-F624 AromaticContact CZ3-CE2 3.87Å; W345-F624 HydrophobicContact CZ3-CE2 3.87Å; W345-I638 HydrophobicContact CH2-CD1 3.64Å; W345-I638 HydrophobicContact CZ2-CD1 3.58Å | ||
| 346 | V | 98 | Very high | 94.9 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 28% | 0.279 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 121.1 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | L385 S386 L428 | V346-L385 WeakPolarHBondContact O-CA 3.42Å; V346-S386 PolarHBondContact N-O 3.45Å; V346-S386 PolarHBondContact O-N 3.1Å; V346-L428 HydrophobicContact CB-CB 3.95Å; V346-L428 HydrophobicContact CB-CD1 4.48Å; V346-L428 HydrophobicContact CG1-CB 3.99Å; V346-L428 HydrophobicContact CG2-CB 4.24Å; V346-L428 HydrophobicContact CG2-CD1 4.18Å |
| 347 | Q | 97.5 | Very high | 95.3 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.8 | 168.7 | -178.5 | 74.2 | 42.5 | 0 | 0 | 108.5 | G355 A384 L385 | Q347-G355 PolarHBondContact NE2-O 3.21Å; Q347-A384 PolarHBondContact NE2-O 3.01Å; Q347-L385 HydrophobicContact CB-CD1 4.2Å |
| 348 | S | 98.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | trans | -64.1 | 139.3 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | H350 A384 N429 F431 | S348-H350 WeakPolarHBondContact OG-CB 3.32Å; S348-H350 PolarHBondContact OG-N 3.18Å; S348-A384 PolarHBondContact N-O 3.2Å; S348-N429 PolarHBondContact OG-O 3.2Å; S348-F431 WeakPolarHBondContact CB-O 3.28Å; S348-F431 PolarHBondContact OG-N 2.96Å; S348-F431 PolarHBondContact OG-O 2.8Å | ||
| 349 | S | 97 | Very high | 95.9 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | trans | -96.5 | -2.6 | 174.1 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | N351 N429 | S349-N351 PolarHBondContact O-N 3.48Å; S349-N429 WeakPolarHBondContact CA-O 3.43Å; S349-N429 PolarHBondContact N-O 3.17Å; S349-N429 PolarHBondContact OG-O 2.9Å | ||
| 350 | H | 97.3 | Very high | 96 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 38% | 0.384 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -55 | -36.9 | -180 | -174 | 82.3 | 0 | 0 | 0 | 112.9 | S348 Y354 D430 N432 | S348-H350 WeakPolarHBondContact OG-CB 3.32Å; S348-H350 PolarHBondContact OG-N 3.18Å; H350-Y354 HydrophobicContact CB-CE2 4.02Å; H350-D430 WeakPolarHBondContact CB-OD1 3.08Å; H350-D430 IonicContact CE1-OD1 3.04Å; H350-D430 IonicContact CG-OD1 3.56Å; H350-D430 IonicContact ND1-OD1 2.74Å; H350-D430 PolarHBondContact ND1-OD1 2.84Å; H350-N432 HydrophobicContact CB-CB 4.13Å; H350-N432 PolarHBondContact CE1-ND2 3.34Å; H350-N432 PolarHBondContact ND1-ND2 3Å; H350-N432 VanDerWaalsContact ND1-ND2 3.12Å |
| 351 | N | 95.4 | Very high | 95.9 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | trans | -135.1 | 119.2 | 177 | -168.1 | -31.4 | 0 | 0 | 0 | 111.2 | S349 N353 Y354 | S349-N351 PolarHBondContact O-N 3.48Å; N351-N353 PolarHBondContact O-N 2.81Å; N351-N353 VanDerWaalsContact O-N 3.1Å; N351-N353 WeakPolarHBondContact OD1-CB 3.31Å; N351-N353 PolarHBondContact OD1-N 2.57Å; N351-Y354 HydrophobicContact CB-CD1 4.19Å; N351-Y354 HydrophobicContact CB-CD2 3.82Å; N351-Y354 HydrophobicContact CB-CE1 3.95Å; N351-Y354 HydrophobicContact CB-CE2 3.58Å; N351-Y354 HydrophobicContact CB-CG 4.12Å; N351-Y354 WeakPolarHBondContact O-CD2 3.43Å; N351-Y354 PolarHBondContact O-N 2.99Å; N351-Y354 VanDerWaalsContact O-N 3.12Å | ||
| 352 | A | 94.3 | Very high | 95.7 | Very high | 104 Ų | 104 | 63.1 Ų | 63.1 | 86% | 0.86 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 353 | N | 95.2 | Very high | 95.5 | Very high | 111 Ų | 111 | 63.5 Ų | 63.5 | 59% | 0.594 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.2 | 179 | -66.7 | -43.8 | 0 | 0 | 0 | 113.8 | N351 G355 R381 | N351-N353 PolarHBondContact O-N 2.81Å; N351-N353 VanDerWaalsContact O-N 3.1Å; N351-N353 WeakPolarHBondContact OD1-CB 3.31Å; N351-N353 PolarHBondContact OD1-N 2.57Å; N353-G355 PolarHBondContact O-N 2.97Å; N353-R381 WeakPolarHBondContact O-CD 3.19Å; N353-R381 PolarHBondContact O-NH1 3.2Å |
| 354 | Y | 97.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 143.4 | 173.1 | -74.1 | -45.4 | 0 | 0 | 0 | 111.9 | H350 N351 F382 A384 | H350-Y354 HydrophobicContact CB-CE2 4.02Å; N351-Y354 HydrophobicContact CB-CD1 4.19Å; N351-Y354 HydrophobicContact CB-CD2 3.82Å; N351-Y354 HydrophobicContact CB-CE1 3.95Å; N351-Y354 HydrophobicContact CB-CE2 3.58Å; N351-Y354 HydrophobicContact CB-CG 4.12Å; N351-Y354 WeakPolarHBondContact O-CD2 3.43Å; N351-Y354 PolarHBondContact O-N 2.99Å; N351-Y354 VanDerWaalsContact O-N 3.12Å; Y354-F382 CarbonylContact C-O 3.58Å; Y354-F382 WeakPolarHBondContact CA-O 3.43Å; Y354-F382 HydrophobicContact CD1-CB 3.65Å; Y354-F382 WeakPolarHBondContact CD1-O 3.44Å; Y354-F382 HydrophobicContact CE1-CB 3.68Å; Y354-A384 HydrophobicContact CD1-CB 4.07Å; Y354-A384 HydrophobicContact CD2-CB 3.79Å; Y354-A384 HydrophobicContact CE1-CB 3.87Å; Y354-A384 HydrophobicContact CE2-CB 3.53Å; Y354-A384 HydrophobicContact CG-CB 4.05Å |
| 355 | G | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -71 | 149.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q347 N353 Q378 F382 Y383 | Q347-G355 PolarHBondContact NE2-O 3.21Å; N353-G355 PolarHBondContact O-N 2.97Å; G355-Q378 VanDerWaalsContact CA-OE1 3.3Å; G355-F382 PolarHBondContact N-O 3.43Å; G355-Y383 VanDerWaalsContact C-CD1 3.47Å; G355-Y383 VanDerWaalsContact O-CD1 3.28Å; G355-Y383 WeakPolarHBondContact O-CD1 3.18Å |
| 356 | L | 97.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 56.1 Ų | 56.1 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 137 | -179.6 | -60.6 | 176.3 | 0 | 0 | 0 | 111.1 | S377 Y383 | L356-S377 VanDerWaalsContact O-CB 3.3Å; L356-S377 WeakPolarHBondContact O-CB 3.3Å; L356-S377 PolarHBondContact O-N 2.87Å; L356-S377 PolarHBondContact O-OG 3.01Å; L356-Y383 WeakPolarHBondContact O-CE1 3.2Å |
| 357 | F | 97.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 141.7 | 164.9 | -72.4 | -90 | 0 | 0 | 0 | 110.6 | W341 I374 Q375 T376 Y383 L385 F624 I626 F635 | W341-F357 HydrophobicContact CH2-CB 4.32Å; F357-I374 HydrophobicContact CB-CB 4.33Å; F357-I374 HydrophobicContact CD1-CB 4.06Å; F357-I374 HydrophobicContact CD1-CD1 4.02Å; F357-I374 HydrophobicContact CD1-CG1 4.16Å; F357-I374 HydrophobicContact CE1-CD1 4.29Å; F357-I374 HydrophobicContact CG-CD1 4.44Å; F357-Q375 WeakPolarHBondContact CA-O 3.34Å; F357-T376 HydrophobicContact CD1-CG2 4.26Å; F357-T376 HydrophobicContact CE1-CG2 3.64Å; F357-T376 HydrophobicContact CZ-CG2 4.11Å; F357-Y383 AromaticContact CD2-CD1 3.9Å; F357-Y383 HydrophobicContact CD2-CD1 3.9Å; F357-Y383 HydrophobicContact CE1-CD1 4.37Å; F357-Y383 AromaticContact CE2-CD1 3.57Å; F357-Y383 HydrophobicContact CE2-CD1 3.57Å; F357-Y383 HydrophobicContact CE2-CG 4.06Å; F357-Y383 HydrophobicContact CG-CD1 4.45Å; F357-Y383 AromaticContact CZ-CD1 3.83Å; F357-Y383 HydrophobicContact CZ-CD1 3.83Å; F357-Y383 HydrophobicContact CZ-CG 4.1Å; F357-L385 HydrophobicContact CB-CD2 4.28Å; F357-L385 HydrophobicContact CD2-CB 3.69Å; F357-L385 HydrophobicContact CD2-CD1 4.49Å; F357-L385 HydrophobicContact CD2-CD2 3.7Å; F357-L385 HydrophobicContact CD2-CG 4.14Å; F357-L385 HydrophobicContact CE2-CB 3.52Å; F357-L385 HydrophobicContact CE2-CD2 4.16Å; F357-L385 HydrophobicContact CE2-CG 4.41Å; F357-L385 HydrophobicContact CG-CD2 4.01Å; F357-L385 HydrophobicContact CZ-CB 4.49Å; F357-F624 HydrophobicContact CZ-CB 4.19Å; F357-I626 HydrophobicContact CZ-CD1 4.48Å; F357-F635 HydrophobicContact CE1-CD2 4.04Å; F357-F635 HydrophobicContact CE1-CE2 4.04Å |
| 358 | K | 95.4 | Very high | 92.2 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 46% | 0.457 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.6 | 169.9 | 70.4 | 179.4 | -178.1 | 178.6 | 0 | 109.6 | Q375 | K358-Q375 HydrophobicContact CG-CB 4.21Å; K358-Q375 PolarHBondContact N-O 3.31Å; K358-Q375 PolarHBondContact O-N 3.16Å |
| 359 | R | 94.2 | Very high | 91.3 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.6 | 173.3 | -158.3 | 178.6 | 58.7 | 145.4 | -4.7 | 110.3 | F335 G338 M372 G373 | F335-R359 PolarHBondContact O-NH1 2.98Å; G338-R359 VanDerWaalsContact N-NH1 3.19Å; G338-R359 WeakPolarHBondContact O-CD 3.36Å; G338-R359 VanDerWaalsContact O-CZ 3.28Å; G338-R359 PolarHBondContact O-NE 2.85Å; G338-R359 PolarHBondContact O-NH1 3.29Å; R359-M372 HydrophobicContact CG-CG 3.54Å; R359-M372 HydrophobicContact CG-SD 3.64Å; R359-G373 CarbonylContact C-O 3.54Å; R359-G373 VanDerWaalsContact CA-O 3.32Å; R359-G373 WeakPolarHBondContact CA-O 3.48Å; R359-G373 WeakPolarHBondContact CG-O 3.31Å |
| 360 | S | 93.2 | Very high | 90.5 | Very high | 20 Ų | 20 | 59 Ų | 59 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 147.2 | -175.6 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | G362 G373 Q375 | S360-G362 PolarHBondContact OG-N 2.96Å; S360-G362 VanDerWaalsContact OG-N 3.1Å; S360-G373 PolarHBondContact N-O 2.94Å; S360-G373 PolarHBondContact O-N 3.24Å; S360-Q375 PolarHBondContact OG-OE1 2.63Å |
| 361 | Y | 89.6 | Confident | 90.1 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | trans | -100.4 | 0.4 | 166.8 | 48.4 | -115.6 | 0 | 0 | 0 | 112.4 | F365 W368 N371 M372 | Y361-F365 AromaticContact CD2-CD1 3.09Å; Y361-F365 HydrophobicContact CD2-CD1 3.09Å; Y361-F365 HydrophobicContact CD2-CD2 4.39Å; Y361-F365 AromaticContact CD2-CE1 3.13Å; Y361-F365 HydrophobicContact CD2-CE1 3.13Å; Y361-F365 HydrophobicContact CD2-CE2 4.42Å; Y361-F365 AromaticContact CD2-CG 3.78Å; Y361-F365 HydrophobicContact CD2-CG 3.78Å; Y361-F365 AromaticContact CD2-CZ 3.83Å; Y361-F365 HydrophobicContact CD2-CZ 3.83Å; Y361-F365 AromaticContact CE2-CD1 3.62Å; Y361-F365 HydrophobicContact CE2-CD1 3.62Å; Y361-F365 AromaticContact CE2-CE1 3.1Å; Y361-F365 HydrophobicContact CE2-CE1 3.1Å; Y361-F365 AromaticContact CE2-CZ 3.68Å; Y361-F365 HydrophobicContact CE2-CZ 3.68Å; Y361-F365 AromaticContact CG-CD1 3.86Å; Y361-F365 HydrophobicContact CG-CD1 3.86Å; Y361-F365 HydrophobicContact CG-CD2 4.45Å; Y361-F365 HydrophobicContact CG-CE1 4.03Å; Y361-F365 HydrophobicContact CG-CG 4.08Å; Y361-F365 HydrophobicContact CG-CZ 4.37Å; Y361-F365 AromaticContact CZ-CE1 3.96Å; Y361-F365 WeakPolarHBondContact O-CB 3.46Å; Y361-W368 HydrophobicContact CD1-CB 3.86Å; Y361-W368 HydrophobicContact CE1-CB 4.06Å; Y361-W368 HydrophobicContact CG-CB 4.47Å; Y361-N371 WeakPolarHBondContact CA-O 3.14Å; Y361-M372 HydrophobicContact CD1-CE 3.55Å; Y361-M372 HydrophobicContact CD1-SD 4.06Å; Y361-M372 HydrophobicContact CE1-CE 4.11Å | ||
| 362 | G | 92.1 | Very high | 90 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | trans | 80.6 | -170.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S360 E409 | S360-G362 PolarHBondContact OG-N 2.96Å; S360-G362 VanDerWaalsContact OG-N 3.1Å; G362-E409 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 363 | R | 90.6 | Very high | 90 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -82.1 | -21.6 | -175.9 | -65.7 | 174.4 | -68.6 | -173.9 | -0.6 | 114.5 | E409 Y669 | R363-E409 VanDerWaalsContact CB-OE2 3.29Å; R363-E409 WeakPolarHBondContact CB-OE2 3.32Å; R363-E409 WeakPolarHBondContact CG-OE2 3.45Å; R363-E409 IonicContact CZ-OE2 2.63Å; R363-E409 PolarHBondContact N-OE1 3Å; R363-E409 PolarHBondContact N-OE2 3.09Å; R363-E409 IonicContact NE-OE2 3.91Å; R363-E409 PolarHBondContact NE-OE2 3.28Å; R363-E409 PolarHBondContact NH2-O 2.72Å; R363-E409 IonicContact NH2-OE2 3.56Å; R363-Y669 HydrophobicContact CB-CD2 4.37Å; R363-Y669 HydrophobicContact CB-CE2 3.92Å; R363-Y669 WeakPolarHBondContact CD-OH 3.2Å; R363-Y669 PolarHBondContact NH1-OH 3.06Å |
| 364 | Y | 88.4 | Confident | 90.1 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -141.5 | 136.8 | 174.6 | 55 | -85.5 | 0 | 0 | 0 | 107.7 | K407 E409 N475 F476 E662 F666 Y669 | Y364-K407 PolarHBondContact O-NZ 3.49Å; Y364-E409 HydrophobicContact CE1-CB 4.15Å; Y364-N475 WeakPolarHBondContact OH-CB 3.42Å; Y364-N475 PolarHBondContact OH-O 2.95Å; Y364-F476 HydrophobicContact CE2-CD1 4.45Å; Y364-E662 HydrophobicContact CD2-CG 4.11Å; Y364-E662 HydrophobicContact CE2-CG 4.2Å; Y364-F666 AromaticContact CD1-CD2 3.89Å; Y364-F666 HydrophobicContact CD1-CD2 3.89Å; Y364-F666 HydrophobicContact CD2-CB 3.79Å; Y364-F666 HydrophobicContact CD2-CD2 4.03Å; Y364-F666 HydrophobicContact CD2-CG 4.39Å; Y364-F666 AromaticContact CE1-CD2 3.56Å; Y364-F666 HydrophobicContact CE1-CD2 3.56Å; Y364-F666 AromaticContact CE1-CE2 4Å; Y364-F666 HydrophobicContact CE1-CE2 4Å; Y364-F666 HydrophobicContact CE2-CB 3.98Å; Y364-F666 AromaticContact CE2-CD2 3.72Å; Y364-F666 HydrophobicContact CE2-CD2 3.72Å; Y364-F666 HydrophobicContact CE2-CG 4.21Å; Y364-F666 HydrophobicContact CG-CB 4.26Å; Y364-F666 HydrophobicContact CG-CD2 4.12Å; Y364-F666 AromaticContact CZ-CD2 3.47Å; Y364-F666 VanDerWaalsContact CZ-CD2 3.47Å; Y364-F666 AromaticContact CZ-CE2 4Å; Y364-Y669 AromaticContact CD1-CD1 3.91Å; Y364-Y669 HydrophobicContact CD1-CD1 3.91Å; Y364-Y669 HydrophobicContact CD1-CE1 4.31Å; Y364-Y669 HydrophobicContact CD1-CG 4.2Å; Y364-Y669 HydrophobicContact CE1-CD1 4.49Å |
| 365 | F | 87.4 | Confident | 90.2 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 18% | 0.18 | 19% | 0.192 | C | C | . | . | trans | -159.4 | 155.9 | -174.6 | 54.5 | -85.3 | 0 | 0 | 0 | 109.4 | Y361 W368 N371 R665 | Y361-F365 AromaticContact CD2-CD1 3.09Å; Y361-F365 HydrophobicContact CD2-CD1 3.09Å; Y361-F365 HydrophobicContact CD2-CD2 4.39Å; Y361-F365 AromaticContact CD2-CE1 3.13Å; Y361-F365 HydrophobicContact CD2-CE1 3.13Å; Y361-F365 HydrophobicContact CD2-CE2 4.42Å; Y361-F365 AromaticContact CD2-CG 3.78Å; Y361-F365 HydrophobicContact CD2-CG 3.78Å; Y361-F365 AromaticContact CD2-CZ 3.83Å; Y361-F365 HydrophobicContact CD2-CZ 3.83Å; Y361-F365 AromaticContact CE2-CD1 3.62Å; Y361-F365 HydrophobicContact CE2-CD1 3.62Å; Y361-F365 AromaticContact CE2-CE1 3.1Å; Y361-F365 HydrophobicContact CE2-CE1 3.1Å; Y361-F365 AromaticContact CE2-CZ 3.68Å; Y361-F365 HydrophobicContact CE2-CZ 3.68Å; Y361-F365 AromaticContact CG-CD1 3.86Å; Y361-F365 HydrophobicContact CG-CD1 3.86Å; Y361-F365 HydrophobicContact CG-CD2 4.45Å; Y361-F365 HydrophobicContact CG-CE1 4.03Å; Y361-F365 HydrophobicContact CG-CG 4.08Å; Y361-F365 HydrophobicContact CG-CZ 4.37Å; Y361-F365 AromaticContact CZ-CE1 3.96Å; Y361-F365 WeakPolarHBondContact O-CB 3.46Å; F365-W368 HydrophobicContact CD2-CB 4.05Å; F365-W368 HydrophobicContact CE2-CB 3.5Å; F365-W368 HydrophobicContact CZ-CB 4.13Å; F365-N371 HydrophobicContact CB-CB 4.22Å; F365-R665 VanDerWaalsContact O-CG 3.32Å; F365-R665 WeakPolarHBondContact O-CG 3.26Å | ||
| 366 | A | 79.8 | Confident | 90.2 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -82.8 | -42.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | N371 Y658 L661 | A366-N371 WeakPolarHBondContact CB-OD1 3.32Å; A366-N371 PolarHBondContact N-OD1 3.44Å; A366-Y658 HydrophobicContact CB-CD1 3.66Å; A366-Y658 HydrophobicContact CB-CG 3.88Å; A366-L661 HydrophobicContact CB-CB 3.72Å |
| 367 | N | 82.7 | Confident | 90.2 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | trans | -140.8 | 123.1 | -179.8 | -178.5 | -43.8 | 0 | 0 | 0 | 109.4 | R369 D370 N371 Y658 | N367-R369 VanDerWaalsContact C-N 3.25Å; N367-R369 PolarHBondContact O-N 2.84Å; N367-R369 PolarHBondContact OD1-N 3.43Å; N367-D370 HydrophobicContact CB-CB 4.17Å; N367-D370 PolarHBondContact ND2-OD2 3.06Å; N367-D370 PolarHBondContact OD1-N 2.9Å; N367-D370 VanDerWaalsContact OD1-N 3.15Å; N367-N371 PolarHBondContact N-OD1 3.11Å; N367-N371 VanDerWaalsContact O-CB 3.24Å; N367-N371 WeakPolarHBondContact O-CB 3.21Å; N367-N371 PolarHBondContact O-N 3.4Å; N367-N371 PolarHBondContact O-OD1 3.17Å; N367-Y658 HydrophobicContact CB-CD1 4.34Å; N367-Y658 HydrophobicContact CB-CE1 3.84Å; N367-Y658 HydrophobicContact CB-CE2 4.33Å; N367-Y658 PolarHBondContact ND2-OH 3.46Å | ||
| 368 | W | 77.9 | Confident | 90.2 | Very high | 71 Ų | 71 | 42.6 Ų | 42.6 | 27% | 0.269 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.5 | -173.7 | 71.3 | -102.4 | 0 | 0 | 0 | 113.7 | N180 Y361 F365 M372 | N180-W368 HydrophobicContact CB-CZ2 3.55Å; N180-W368 PolarHBondContact ND2-NE1 3.19Å; N180-W368 VanDerWaalsContact ND2-NE1 3.15Å; N180-W368 PolarHBondContact O-NE1 3.31Å; Y361-W368 HydrophobicContact CD1-CB 3.86Å; Y361-W368 HydrophobicContact CE1-CB 4.06Å; Y361-W368 HydrophobicContact CG-CB 4.47Å; F365-W368 HydrophobicContact CD2-CB 4.05Å; F365-W368 HydrophobicContact CE2-CB 3.5Å; F365-W368 HydrophobicContact CZ-CB 4.13Å; W368-M372 HydrophobicContact CE3-CE 4.08Å; W368-M372 HydrophobicContact CZ3-CE 4.47Å |
| 369 | R | 78.3 | Confident | 90.2 | Very high | 129 Ų | 129 | 40.1 Ų | 40.1 | 49% | 0.487 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -46.1 | -178.4 | -173.9 | 176.2 | -176 | 166.3 | 1.1 | 111.1 | D336 N367 M372 | D336-R369 HydrophobicContact CB-CG 4.48Å; N367-R369 VanDerWaalsContact C-N 3.25Å; N367-R369 PolarHBondContact O-N 2.84Å; N367-R369 PolarHBondContact OD1-N 3.43Å; R369-M372 WeakPolarHBondContact O-CB 3.07Å; R369-M372 PolarHBondContact O-N 2.89Å |
| 370 | D | 81.2 | Confident | 90.3 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.4 | -176.3 | -63 | -29.5 | 0 | 0 | 0 | 113.8 | R334 N367 Y658 | R334-D370 IonicContact NH2-OD1 3.07Å; R334-D370 PolarHBondContact NH2-OD1 3.25Å; N367-D370 HydrophobicContact CB-CB 4.17Å; N367-D370 PolarHBondContact ND2-OD2 3.06Å; N367-D370 PolarHBondContact OD1-N 2.9Å; N367-D370 VanDerWaalsContact OD1-N 3.15Å; D370-Y658 HydrophobicContact CB-CD2 4.24Å; D370-Y658 HydrophobicContact CB-CE2 3.42Å; D370-Y658 VanDerWaalsContact CB-CE2 3.42Å; D370-Y658 WeakPolarHBondContact OD2-CE2 3.46Å; D370-Y658 PolarHBondContact OD2-OH 3.2Å |
| 371 | N | 88.4 | Confident | 90.5 | Very high | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 17.1 | 170.7 | -56 | 137 | 0 | 0 | 0 | 112.1 | Y361 F365 A366 N367 G373 | Y361-N371 WeakPolarHBondContact CA-O 3.14Å; F365-N371 HydrophobicContact CB-CB 4.22Å; A366-N371 WeakPolarHBondContact CB-OD1 3.32Å; A366-N371 PolarHBondContact N-OD1 3.44Å; N367-N371 PolarHBondContact N-OD1 3.11Å; N367-N371 VanDerWaalsContact O-CB 3.24Å; N367-N371 WeakPolarHBondContact O-CB 3.21Å; N367-N371 PolarHBondContact O-N 3.4Å; N367-N371 PolarHBondContact O-OD1 3.17Å; N371-G373 PolarHBondContact O-N 3.12Å |
| 372 | M | 91.8 | Very high | 90.9 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | trans | -76.3 | 119.3 | 175.7 | -169.8 | 67.7 | 76.6 | 0 | 0 | 109.2 | R359 Y361 W368 R369 D636 | R359-M372 HydrophobicContact CG-CG 3.54Å; R359-M372 HydrophobicContact CG-SD 3.64Å; Y361-M372 HydrophobicContact CD1-CE 3.55Å; Y361-M372 HydrophobicContact CD1-SD 4.06Å; Y361-M372 HydrophobicContact CE1-CE 4.11Å; W368-M372 HydrophobicContact CE3-CE 4.08Å; W368-M372 HydrophobicContact CZ3-CE 4.47Å; R369-M372 WeakPolarHBondContact O-CB 3.07Å; R369-M372 PolarHBondContact O-N 2.89Å; M372-D636 VanDerWaalsContact O-CG 3.29Å | ||
| 373 | G | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -170.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R359 S360 N371 F635 | R359-G373 CarbonylContact C-O 3.54Å; R359-G373 VanDerWaalsContact CA-O 3.32Å; R359-G373 WeakPolarHBondContact CA-O 3.48Å; R359-G373 WeakPolarHBondContact CG-O 3.31Å; S360-G373 PolarHBondContact N-O 2.94Å; S360-G373 PolarHBondContact O-N 3.24Å; N371-G373 PolarHBondContact O-N 3.12Å; G373-F635 CarbonylContact C-O 3.56Å; G373-F635 VanDerWaalsContact CA-O 3.24Å; G373-F635 WeakPolarHBondContact CA-O 3.47Å |
| 374 | I | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132 | 167.6 | 55.8 | 171.6 | 0 | 0 | 0 | 110.1 | F335 W341 F357 L385 F624 I634 F635 | F335-I374 HydrophobicContact CD1-CG2 3.51Å; F335-I374 HydrophobicContact CD2-CG2 4.44Å; F335-I374 HydrophobicContact CE1-CB 4.31Å; F335-I374 HydrophobicContact CE1-CD1 4.09Å; F335-I374 HydrophobicContact CE1-CG1 4.12Å; F335-I374 HydrophobicContact CE1-CG2 3.33Å; F335-I374 HydrophobicContact CE2-CD1 4.36Å; F335-I374 HydrophobicContact CE2-CG1 3.92Å; F335-I374 HydrophobicContact CE2-CG2 4.3Å; F335-I374 HydrophobicContact CG-CG2 4.06Å; F335-I374 HydrophobicContact CZ-CB 4.26Å; F335-I374 HydrophobicContact CZ-CD1 3.61Å; F335-I374 HydrophobicContact CZ-CG1 3.61Å; F335-I374 HydrophobicContact CZ-CG2 3.76Å; W341-I374 HydrophobicContact CD2-CG2 4.26Å; W341-I374 HydrophobicContact CE3-CG2 4.11Å; W341-I374 HydrophobicContact CH2-CG2 4.38Å; W341-I374 HydrophobicContact CZ3-CG2 4.18Å; F357-I374 HydrophobicContact CB-CB 4.33Å; F357-I374 HydrophobicContact CD1-CB 4.06Å; F357-I374 HydrophobicContact CD1-CD1 4.02Å; F357-I374 HydrophobicContact CD1-CG1 4.16Å; F357-I374 HydrophobicContact CE1-CD1 4.29Å; F357-I374 HydrophobicContact CG-CD1 4.44Å; I374-L385 HydrophobicContact CD1-CD2 3.81Å; I374-F624 HydrophobicContact CD1-CD2 4.23Å; I374-F624 HydrophobicContact CD1-CE2 4.05Å; I374-I634 CarbonylContact O-C 3.56Å; I374-I634 WeakPolarHBondContact O-CA 3.19Å; I374-F635 HydrophobicContact CG1-CB 3.99Å; I374-F635 PolarHBondContact N-O 3.27Å; I374-F635 PolarHBondContact O-N 2.89Å |
| 375 | Q | 97.9 | Very high | 92 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.2 | -175.5 | -168.7 | 176.6 | 40.4 | 0 | 0 | 111 | F357 K358 S360 S377 E409 G632 T633 I634 | F357-Q375 WeakPolarHBondContact CA-O 3.34Å; K358-Q375 HydrophobicContact CG-CB 4.21Å; K358-Q375 PolarHBondContact N-O 3.31Å; K358-Q375 PolarHBondContact O-N 3.16Å; S360-Q375 PolarHBondContact OG-OE1 2.63Å; Q375-S377 PolarHBondContact O-N 2.79Å; Q375-E409 PolarHBondContact NE2-OE1 3.05Å; Q375-G632 PolarHBondContact NE2-O 3.32Å; Q375-T633 VanDerWaalsContact CA-O 3.24Å; Q375-T633 WeakPolarHBondContact CA-O 3.29Å; Q375-I634 HydrophobicContact CB-CG1 3.93Å; Q375-I634 HydrophobicContact CG-CG1 3.7Å |
| 376 | T | 98.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 131.3 | 168.2 | 55.6 | 0 | 0 | 0 | 0 | 110 | F357 Y383 I626 Q628 C631 G632 T633 F635 | F357-T376 HydrophobicContact CD1-CG2 4.26Å; F357-T376 HydrophobicContact CE1-CG2 3.64Å; F357-T376 HydrophobicContact CZ-CG2 4.11Å; T376-Y383 VanDerWaalsContact CB-CZ 3.45Å; T376-Y383 HydrophobicContact CG2-CD1 3.9Å; T376-Y383 HydrophobicContact CG2-CD2 4.04Å; T376-Y383 HydrophobicContact CG2-CE1 3.75Å; T376-Y383 HydrophobicContact CG2-CE2 3.94Å; T376-Y383 HydrophobicContact CG2-CG 4.03Å; T376-I626 HydrophobicContact CG2-CD1 4.27Å; T376-Q628 VanDerWaalsContact CB-OE1 3.26Å; T376-Q628 VanDerWaalsContact CG2-OE1 3.27Å; T376-Q628 PolarHBondContact OG1-OE1 2.85Å; T376-C631 WeakPolarHBondContact O-CB 3.48Å; T376-G632 PolarHBondContact O-N 3.3Å; T376-G632 VanDerWaalsContact O-N 3.09Å; T376-G632 PolarHBondContact OG1-N 3.35Å; T376-T633 PolarHBondContact N-O 3.22Å; T376-T633 VanDerWaalsContact N-O 3.09Å; T376-T633 PolarHBondContact OG1-N 2.69Å; T376-F635 HydrophobicContact CG2-CE2 4.28Å |
| 377 | S | 96.9 | Very high | 93.4 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 27% | 0.266 | 16% | 0.159 | S | C | . | . | trans | -112 | -10.7 | -167.6 | 72.7 | 0 | 0 | 0 | 0 | 116.3 | L356 Q375 Y383 C631 | L356-S377 VanDerWaalsContact O-CB 3.3Å; L356-S377 WeakPolarHBondContact O-CB 3.3Å; L356-S377 PolarHBondContact O-N 2.87Å; L356-S377 PolarHBondContact O-OG 3.01Å; Q375-S377 PolarHBondContact O-N 2.79Å; S377-Y383 PolarHBondContact N-OH 2.88Å; S377-Y383 VanDerWaalsContact N-OH 3.13Å; S377-C631 PolarHBondContact O-SG 2.84Å | ||
| 378 | Q | 97.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 35.5 Ų | 35.5 | 28% | 0.28 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -132.5 | 128.6 | -173.2 | -66.3 | 166.9 | -64.5 | 0 | 0 | 112.1 | G355 R381 Y383 C631 | G355-Q378 VanDerWaalsContact CA-OE1 3.3Å; Q378-R381 HydrophobicContact CB-CG 3.76Å; Q378-Y383 WeakPolarHBondContact CA-OH 3.26Å; Q378-Y383 PolarHBondContact N-OH 3.11Å; Q378-Y383 PolarHBondContact O-OH 2.99Å; Q378-C631 VanDerWaalsContact C-CB 3.47Å; Q378-C631 PolarHBondContact N-SG 3.13Å; Q378-C631 WeakPolarHBondContact O-CB 3.45Å |
| 379 | N | 95.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -67.7 | 152.8 | 176.8 | -68.7 | -16.2 | 0 | 0 | 0 | 112.1 | R381 M629 K630 C631 | N379-R381 VanDerWaalsContact C-N 3.33Å; N379-R381 PolarHBondContact O-N 3.36Å; N379-M629 CarbonylContact C-O 3.53Å; N379-M629 WeakPolarHBondContact CA-O 3.24Å; N379-M629 VanDerWaalsContact CB-O 3.3Å; N379-M629 WeakPolarHBondContact CB-O 3.2Å; N379-K630 WeakPolarHBondContact OD1-CA 3.47Å; N379-C631 PolarHBondContact OD1-N 3.27Å; N379-C631 PolarHBondContact OD1-SG 2.95Å |
| 380 | A | 95.7 | Very high | 96 | Very high | 49 Ų | 49 | 31.3 Ų | 31.3 | 41% | 0.405 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 50.1 | 50.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W627 Q628 M629 | A380-W627 VanDerWaalsContact C-CZ3 3.47Å; A380-W627 HydrophobicContact CB-CH2 4.02Å; A380-W627 HydrophobicContact CB-CZ2 4.38Å; A380-W627 WeakPolarHBondContact O-CH2 3.48Å; A380-Q628 VanDerWaalsContact CA-O 3.26Å; A380-Q628 WeakPolarHBondContact CA-O 3.33Å; A380-Q628 PolarHBondContact N-O 3.4Å; A380-M629 PolarHBondContact N-O 3.39Å |
| 381 | R | 96.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 33.6 Ų | 33.6 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.7 | 178.5 | -67.6 | -57.2 | -173.4 | 97.6 | -1.8 | 110.8 | N353 Q378 N379 Y383 W627 Q628 | N353-R381 WeakPolarHBondContact O-CD 3.19Å; N353-R381 PolarHBondContact O-NH1 3.2Å; Q378-R381 HydrophobicContact CB-CG 3.76Å; N379-R381 VanDerWaalsContact C-N 3.33Å; N379-R381 PolarHBondContact O-N 3.36Å; R381-Y383 HydrophobicContact CB-CD2 4.39Å; R381-Y383 HydrophobicContact CB-CE2 3.83Å; R381-Y383 WeakPolarHBondContact O-CD2 3.15Å; R381-Y383 WeakPolarHBondContact O-CE2 3.5Å; R381-W627 VanDerWaalsContact C-CZ3 3.47Å; R381-Q628 PolarHBondContact N-O 2.87Å; R381-Q628 PolarHBondContact O-N 3.47Å; R381-Q628 VanDerWaalsContact O-N 3.08Å |
| 382 | F | 97.8 | Very high | 97 | Very high | 96 Ų | 96 | 37.5 Ų | 37.5 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 147 | 155.7 | -70.5 | -84.5 | 0 | 0 | 0 | 108.8 | Y354 G355 I626 W627 | Y354-F382 CarbonylContact C-O 3.58Å; Y354-F382 WeakPolarHBondContact CA-O 3.43Å; Y354-F382 HydrophobicContact CD1-CB 3.65Å; Y354-F382 WeakPolarHBondContact CD1-O 3.44Å; Y354-F382 HydrophobicContact CE1-CB 3.68Å; G355-F382 PolarHBondContact N-O 3.43Å; F382-I626 CarbonylContact C-O 3.45Å; F382-I626 WeakPolarHBondContact CA-O 3.45Å; F382-W627 HydrophobicContact CB-CE3 4.48Å; F382-W627 HydrophobicContact CD1-CB 3.97Å; F382-W627 HydrophobicContact CD1-CE3 4Å; F382-W627 AromaticContact CD2-CE3 3.5Å; F382-W627 HydrophobicContact CD2-CE3 3.5Å; F382-W627 VanDerWaalsContact CD2-CE3 3.5Å; F382-W627 AromaticContact CD2-CZ3 3.7Å; F382-W627 HydrophobicContact CD2-CZ3 3.7Å; F382-W627 HydrophobicContact CE1-CB 3.81Å; F382-W627 HydrophobicContact CE1-CD2 4.41Å; F382-W627 HydrophobicContact CE1-CE3 4.02Å; F382-W627 HydrophobicContact CE1-CG 4.37Å; F382-W627 HydrophobicContact CE2-CD2 4.41Å; F382-W627 AromaticContact CE2-CE3 3.52Å; F382-W627 HydrophobicContact CE2-CE3 3.52Å; F382-W627 AromaticContact CE2-CZ3 3.72Å; F382-W627 HydrophobicContact CE2-CZ3 3.72Å; F382-W627 AromaticContact CG-CE3 3.74Å; F382-W627 HydrophobicContact CG-CE3 3.74Å; F382-W627 HydrophobicContact CG-CZ3 4.34Å; F382-W627 HydrophobicContact CZ-CB 4.48Å; F382-W627 HydrophobicContact CZ-CD2 4.28Å; F382-W627 AromaticContact CZ-CE3 3.78Å; F382-W627 HydrophobicContact CZ-CE3 3.78Å; F382-W627 HydrophobicContact CZ-CZ3 4.39Å |
| 383 | Y | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.8 | 175.7 | -72.2 | -97.8 | 0 | 0 | 0 | 108 | G355 L356 F357 T376 S377 Q378 R381 E625 I626 Q628 | G355-Y383 VanDerWaalsContact C-CD1 3.47Å; G355-Y383 VanDerWaalsContact O-CD1 3.28Å; G355-Y383 WeakPolarHBondContact O-CD1 3.18Å; L356-Y383 WeakPolarHBondContact O-CE1 3.2Å; F357-Y383 AromaticContact CD2-CD1 3.9Å; F357-Y383 HydrophobicContact CD2-CD1 3.9Å; F357-Y383 HydrophobicContact CE1-CD1 4.37Å; F357-Y383 AromaticContact CE2-CD1 3.57Å; F357-Y383 HydrophobicContact CE2-CD1 3.57Å; F357-Y383 HydrophobicContact CE2-CG 4.06Å; F357-Y383 HydrophobicContact CG-CD1 4.45Å; F357-Y383 AromaticContact CZ-CD1 3.83Å; F357-Y383 HydrophobicContact CZ-CD1 3.83Å; F357-Y383 HydrophobicContact CZ-CG 4.1Å; T376-Y383 VanDerWaalsContact CB-CZ 3.45Å; T376-Y383 HydrophobicContact CG2-CD1 3.9Å; T376-Y383 HydrophobicContact CG2-CD2 4.04Å; T376-Y383 HydrophobicContact CG2-CE1 3.75Å; T376-Y383 HydrophobicContact CG2-CE2 3.94Å; T376-Y383 HydrophobicContact CG2-CG 4.03Å; S377-Y383 PolarHBondContact N-OH 2.88Å; S377-Y383 VanDerWaalsContact N-OH 3.13Å; Q378-Y383 WeakPolarHBondContact CA-OH 3.26Å; Q378-Y383 PolarHBondContact N-OH 3.11Å; Q378-Y383 PolarHBondContact O-OH 2.99Å; R381-Y383 HydrophobicContact CB-CD2 4.39Å; R381-Y383 HydrophobicContact CB-CE2 3.83Å; R381-Y383 WeakPolarHBondContact O-CD2 3.15Å; R381-Y383 WeakPolarHBondContact O-CE2 3.5Å; Y383-E625 CarbonylContact O-C 3.56Å; Y383-E625 WeakPolarHBondContact O-CA 3.49Å; Y383-I626 HydrophobicContact CD2-CG1 4.49Å; Y383-I626 HydrophobicContact CG-CG1 4.46Å; Y383-I626 PolarHBondContact N-O 3.04Å; Y383-I626 PolarHBondContact O-N 3.4Å; Y383-Q628 HydrophobicContact CE2-CB 4.46Å |
| 384 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 97.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q347 S348 Y354 F431 F624 | Q347-A384 PolarHBondContact NE2-O 3.01Å; S348-A384 PolarHBondContact N-O 3.2Å; Y354-A384 HydrophobicContact CD1-CB 4.07Å; Y354-A384 HydrophobicContact CD2-CB 3.79Å; Y354-A384 HydrophobicContact CE1-CB 3.87Å; Y354-A384 HydrophobicContact CE2-CB 3.53Å; Y354-A384 HydrophobicContact CG-CB 4.05Å; A384-F431 HydrophobicContact CB-CD1 4.33Å; A384-F624 CarbonylContact C-O 3.6Å; A384-F624 VanDerWaalsContact CA-O 3.23Å; A384-F624 WeakPolarHBondContact CA-O 3.5Å |
| 385 | L | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.1 | -178.8 | -170.9 | 82 | 0 | 0 | 0 | 109.1 | W341 W345 V346 Q347 F357 I374 G623 F624 | W341-L385 HydrophobicContact CZ3-CD2 4.07Å; W345-L385 HydrophobicContact CB-CD1 4.13Å; W345-L385 HydrophobicContact CB-CD2 4.1Å; W345-L385 HydrophobicContact CB-CG 4.11Å; W345-L385 HydrophobicContact CD2-CD2 3.99Å; W345-L385 HydrophobicContact CD2-CG 4.37Å; W345-L385 HydrophobicContact CE3-CD2 3.61Å; W345-L385 HydrophobicContact CE3-CG 3.71Å; W345-L385 HydrophobicContact CG-CD2 4.24Å; W345-L385 HydrophobicContact CZ3-CD2 4.32Å; W345-L385 HydrophobicContact CZ3-CG 4.49Å; V346-L385 WeakPolarHBondContact O-CA 3.42Å; Q347-L385 HydrophobicContact CB-CD1 4.2Å; F357-L385 HydrophobicContact CB-CD2 4.28Å; F357-L385 HydrophobicContact CD2-CB 3.69Å; F357-L385 HydrophobicContact CD2-CD1 4.49Å; F357-L385 HydrophobicContact CD2-CD2 3.7Å; F357-L385 HydrophobicContact CD2-CG 4.14Å; F357-L385 HydrophobicContact CE2-CB 3.52Å; F357-L385 HydrophobicContact CE2-CD2 4.16Å; F357-L385 HydrophobicContact CE2-CG 4.41Å; F357-L385 HydrophobicContact CG-CD2 4.01Å; F357-L385 HydrophobicContact CZ-CB 4.49Å; I374-L385 HydrophobicContact CD1-CD2 3.81Å; L385-G623 CarbonylContact O-C 3.58Å; L385-G623 VanDerWaalsContact O-CA 3.24Å; L385-G623 WeakPolarHBondContact O-CA 3.41Å; L385-F624 PolarHBondContact N-O 2.85Å; L385-F624 PolarHBondContact O-N 3Å |
| 386 | S | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 163.5 | -175.7 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | W345 V346 L428 V622 | W345-S386 CarbonylContact C-O 3.54Å; W345-S386 WeakPolarHBondContact CA-O 3.23Å; V346-S386 PolarHBondContact N-O 3.45Å; V346-S386 PolarHBondContact O-N 3.1Å; S386-L428 WeakPolarHBondContact OG-CB 3.44Å; S386-L428 WeakPolarHBondContact OG-CD2 3.49Å; S386-V622 CarbonylContact C-O 3.5Å; S386-V622 VanDerWaalsContact CA-O 3.23Å; S386-V622 WeakPolarHBondContact CA-O 3.33Å; S386-V622 WeakPolarHBondContact CB-O 3.29Å |
| 387 | R | 97.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 5% | 0.049 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 143.7 | -179.7 | 162.6 | 171.1 | 179.8 | -160.9 | -5.7 | 109.8 | L331 E333 R344 W345 D390 A621 V622 | L331-R387 VanDerWaalsContact CD1-CZ 3.49Å; E333-R387 IonicContact OE2-CZ 3.85Å; E333-R387 IonicContact OE2-NH1 3.23Å; E333-R387 PolarHBondContact OE2-NH1 3.08Å; R344-R387 HydrophobicContact CB-CG 4.48Å; R344-R387 VanDerWaalsContact CD-CZ 3.45Å; R344-R387 WeakPolarHBondContact O-CB 3.49Å; R344-R387 VanDerWaalsContact O-CG 3.25Å; R344-R387 WeakPolarHBondContact O-CG 3.45Å; W345-R387 HydrophobicContact CD2-CB 3.74Å; W345-R387 HydrophobicContact CE3-CB 3.81Å; W345-R387 HydrophobicContact CG-CB 4.13Å; W345-R387 HydrophobicContact CZ2-CB 4.41Å; W345-R387 HydrophobicContact CZ3-CB 4.23Å; R387-D390 IonicContact CZ-OD1 2.67Å; R387-D390 VanDerWaalsContact NH2-CG 3.31Å; R387-D390 IonicContact NH2-OD1 2.86Å; R387-D390 PolarHBondContact NH2-OD1 3.4Å; R387-D390 IonicContact NH2-OD2 2.73Å; R387-D390 PolarHBondContact NH2-OD2 2.95Å; R387-A621 CarbonylContact O-C 3.59Å; R387-A621 VanDerWaalsContact O-CA 3.25Å; R387-A621 WeakPolarHBondContact O-CA 3.19Å; R387-A621 WeakPolarHBondContact O-CB 3.32Å; R387-V622 PolarHBondContact N-O 3.24Å; R387-V622 PolarHBondContact O-N 2.84Å |
| 388 | K | 98.2 | Very high | 96.3 | Very high | 78 Ų | 78 | 51.3 Ų | 51.3 | 34% | 0.339 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 143.9 | 167.9 | -64.6 | -69.4 | 172.5 | -173.7 | 0 | 110.8 | A424 T426 L428 G620 A621 | K388-A424 PolarHBondContact NZ-O 3.19Å; K388-T426 PolarHBondContact NZ-O 3.39Å; K388-L428 HydrophobicContact CD-CD1 4.14Å; K388-L428 HydrophobicContact CG-CD1 3.85Å; K388-G620 CarbonylContact C-O 3.57Å; K388-G620 VanDerWaalsContact CA-O 3.29Å; K388-G620 WeakPolarHBondContact CA-O 3.41Å; K388-G620 WeakPolarHBondContact CD-O 3.49Å; K388-A621 HydrophobicContact CD-CB 4.21Å |
| 389 | L | 97.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 155.9 | 168.5 | -88.4 | 57.1 | 0 | 0 | 0 | 110.1 | L331 T391 F393 V619 G620 V622 I640 | L331-L389 HydrophobicContact CB-CG 4.07Å; L331-L389 HydrophobicContact CD2-CD1 4.39Å; L389-T391 WeakPolarHBondContact CB-O 3.41Å; L389-T391 PolarHBondContact O-N 2.85Å; L389-F393 HydrophobicContact CD2-CB 4.33Å; L389-V619 HydrophobicContact CD2-CG1 3.97Å; L389-G620 PolarHBondContact N-O 3.25Å; L389-V622 HydrophobicContact CD1-CG1 4.06Å; L389-I640 HydrophobicContact CD1-CD1 4Å; L389-I640 HydrophobicContact CD2-CD1 4.12Å; L389-I640 HydrophobicContact CD2-CG2 4.41Å; L389-I640 HydrophobicContact CG-CD1 4.27Å |
| 390 | D | 96.6 | Very high | 96.2 | Very high | 96 Ų | 96 | 47.5 Ų | 47.5 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -26.2 | 175.6 | -64.2 | -40.2 | 0 | 0 | 0 | 111.3 | Y330 R387 | Y330-D390 PolarHBondContact O-N 3.46Å; R387-D390 IonicContact CZ-OD1 2.67Å; R387-D390 VanDerWaalsContact NH2-CG 3.31Å; R387-D390 IonicContact NH2-OD1 2.86Å; R387-D390 PolarHBondContact NH2-OD1 3.4Å; R387-D390 IonicContact NH2-OD2 2.73Å; R387-D390 PolarHBondContact NH2-OD2 2.95Å |
| 391 | T | 95.7 | Very high | 96.4 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 134.2 | 172.7 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | Y330 L389 F393 | Y330-T391 HydrophobicContact CD1-CG2 4.33Å; Y330-T391 PolarHBondContact O-N 2.92Å; L389-T391 WeakPolarHBondContact CB-O 3.41Å; L389-T391 PolarHBondContact O-N 2.85Å; T391-F393 PolarHBondContact O-N 2.99Å |
| 392 | I | 96.2 | Very high | 96.4 | Very high | 104 Ų | 104 | 41.7 Ų | 41.7 | 53% | 0.533 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 131.9 | 175.5 | -60.7 | 172.8 | 0 | 0 | 0 | 108.9 | A424 | I392-A424 HydrophobicContact CD1-CB 3.86Å; I392-A424 HydrophobicContact CG1-CB 4.11Å; I392-A424 HydrophobicContact CG2-CB 4.32Å |
| 393 | F | 95.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.5 | -175.7 | 179.6 | -147.8 | 0 | 0 | 0 | 111.8 | Y330 L389 T391 K398 T399 F400 V619 I640 D642 | Y330-F393 HydrophobicContact CD1-CB 3.74Å; Y330-F393 HydrophobicContact CD1-CD2 4.07Å; Y330-F393 HydrophobicContact CD1-CG 4.08Å; Y330-F393 HydrophobicContact CD2-CB 4.17Å; Y330-F393 HydrophobicContact CD2-CD1 4Å; Y330-F393 AromaticContact CD2-CD2 3.86Å; Y330-F393 HydrophobicContact CD2-CD2 3.86Å; Y330-F393 HydrophobicContact CD2-CE1 4.29Å; Y330-F393 HydrophobicContact CD2-CE2 4.19Å; Y330-F393 AromaticContact CD2-CG 3.77Å; Y330-F393 HydrophobicContact CD2-CG 3.77Å; Y330-F393 HydrophobicContact CD2-CZ 4.41Å; Y330-F393 HydrophobicContact CE1-CB 4.07Å; Y330-F393 AromaticContact CE1-CD2 3.58Å; Y330-F393 HydrophobicContact CE1-CD2 3.58Å; Y330-F393 HydrophobicContact CE1-CE2 4.31Å; Y330-F393 HydrophobicContact CE1-CG 4.07Å; Y330-F393 HydrophobicContact CE2-CB 4.46Å; Y330-F393 HydrophobicContact CE2-CD1 4.14Å; Y330-F393 AromaticContact CE2-CD2 3.32Å; Y330-F393 HydrophobicContact CE2-CD2 3.32Å; Y330-F393 HydrophobicContact CE2-CE1 4.14Å; Y330-F393 AromaticContact CE2-CE2 3.37Å; Y330-F393 HydrophobicContact CE2-CE2 3.37Å; Y330-F393 AromaticContact CE2-CG 3.75Å; Y330-F393 HydrophobicContact CE2-CG 3.75Å; Y330-F393 AromaticContact CE2-CZ 3.81Å; Y330-F393 HydrophobicContact CE2-CZ 3.81Å; Y330-F393 HydrophobicContact CG-CB 3.82Å; Y330-F393 HydrophobicContact CG-CD1 4.46Å; Y330-F393 HydrophobicContact CG-CD2 4.21Å; Y330-F393 AromaticContact CG-CG 3.95Å; Y330-F393 HydrophobicContact CG-CG 3.95Å; Y330-F393 AromaticContact CZ-CD2 3.17Å; Y330-F393 AromaticContact CZ-CE2 3.45Å; Y330-F393 VanDerWaalsContact CZ-CE2 3.45Å; Y330-F393 AromaticContact CZ-CG 3.91Å; Y330-F393 WeakPolarHBondContact OH-CE2 3.13Å; L389-F393 HydrophobicContact CD2-CB 4.33Å; T391-F393 PolarHBondContact O-N 2.99Å; F393-K398 HydrophobicContact CE2-CB 4.22Å; F393-K398 HydrophobicContact CE2-CD 3.82Å; F393-K398 HydrophobicContact CZ-CB 4.29Å; F393-T399 WeakPolarHBondContact CZ-O 3.39Å; F393-F400 AromaticContact CD1-CD2 3.73Å; F393-F400 HydrophobicContact CD1-CD2 3.73Å; F393-F400 HydrophobicContact CD1-CE2 4.2Å; F393-F400 HydrophobicContact CE1-CB 3.95Å; F393-F400 AromaticContact CE1-CD2 3.38Å; F393-F400 HydrophobicContact CE1-CD2 3.38Å; F393-F400 HydrophobicContact CE1-CE2 4.24Å; F393-F400 HydrophobicContact CE1-CG 4.07Å; F393-F400 HydrophobicContact CZ-CB 4.47Å; F393-V619 HydrophobicContact CB-CB 4.16Å; F393-V619 PolarHBondContact N-O 2.97Å; F393-V619 WeakPolarHBondContact O-CB 3.31Å; F393-V619 PolarHBondContact O-N 2.94Å; F393-I640 HydrophobicContact CD1-CG2 4.14Å; F393-D642 HydrophobicContact CE2-CB 4.41Å; F393-D642 HydrophobicContact CZ-CB 4.19Å |
| 394 | D | 95.5 | Very high | 96.5 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | trans | -85.8 | 107.1 | 163.4 | -174.5 | -7.6 | 0 | 0 | 0 | 108.9 | R396 E617 | D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 WeakPolarHBondContact OD1-CB 3.34Å; D394-R396 VanDerWaalsContact OD1-CG 3.24Å; D394-R396 WeakPolarHBondContact OD1-CG 3.32Å; D394-R396 IonicContact OD1-CZ 2.89Å; D394-R396 PolarHBondContact OD1-N 2.91Å; D394-R396 IonicContact OD1-NE 2.64Å; D394-R396 PolarHBondContact OD1-NE 2.6Å; D394-R396 IonicContact OD1-NH2 2.59Å; D394-R396 IonicContact OD2-CZ 3.53Å; D394-R396 IonicContact OD2-NE 2.8Å; D394-R396 PolarHBondContact OD2-NE 3.18Å; D394-R396 VanDerWaalsContact OD2-NE 3.13Å; D394-R396 IonicContact OD2-NH2 3.93Å; D394-R396 PolarHBondContact OD2-NH2 2.87Å; D394-E617 WeakPolarHBondContact CA-O 3.45Å; D394-E617 WeakPolarHBondContact CB-O 3.45Å | ||
| 395 | S | 93.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | trans | -83.7 | -5.4 | -178.5 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | N397 K398 H616 | S395-N397 PolarHBondContact O-N 2.88Å; S395-K398 PolarHBondContact O-N 3.2Å; S395-K398 VanDerWaalsContact O-N 3.14Å; S395-H616 PolarHBondContact N-O 2.85Å; S395-H616 PolarHBondContact OG-N 3.41Å; S395-H616 PolarHBondContact OG-O 3.4Å | ||
| 396 | R | 92.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 37.4 Ų | 37.4 | 33% | 0.328 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 130.8 | 176.8 | -63.2 | 177.5 | -63 | -162.1 | -2.9 | 109.8 | D394 K398 Y612 A615 E617 | D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 WeakPolarHBondContact OD1-CB 3.34Å; D394-R396 VanDerWaalsContact OD1-CG 3.24Å; D394-R396 WeakPolarHBondContact OD1-CG 3.32Å; D394-R396 IonicContact OD1-CZ 2.89Å; D394-R396 PolarHBondContact OD1-N 2.91Å; D394-R396 IonicContact OD1-NE 2.64Å; D394-R396 PolarHBondContact OD1-NE 2.6Å; D394-R396 IonicContact OD1-NH2 2.59Å; D394-R396 IonicContact OD2-CZ 3.53Å; D394-R396 IonicContact OD2-NE 2.8Å; D394-R396 PolarHBondContact OD2-NE 3.18Å; D394-R396 VanDerWaalsContact OD2-NE 3.13Å; D394-R396 IonicContact OD2-NH2 3.93Å; D394-R396 PolarHBondContact OD2-NH2 2.87Å; R396-K398 PolarHBondContact O-N 3.24Å; R396-K398 VanDerWaalsContact O-N 3.09Å; R396-Y612 HydrophobicContact CB-CD1 3.97Å; R396-Y612 HydrophobicContact CB-CE1 3.93Å; R396-Y612 HydrophobicContact CG-CD1 3.91Å; R396-Y612 HydrophobicContact CG-CE1 4.21Å; R396-Y612 HydrophobicContact CG-CG 4.4Å; R396-A615 HydrophobicContact CG-CB 4.36Å; R396-E617 VanDerWaalsContact CZ-CB 3.5Å; R396-E617 IonicContact CZ-OE2 3.92Å; R396-E617 IonicContact NH1-OE2 3.43Å; R396-E617 PolarHBondContact NH1-OE2 2.58Å; R396-E617 IonicContact NH2-OE2 3.26Å |
| 397 | N | 91.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 37.8 Ų | 37.8 | 62% | 0.62 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 11.3 | -178.5 | -53.3 | -51.9 | 0 | 0 | 0 | 115.4 | S395 | S395-N397 PolarHBondContact O-N 2.88Š|
| 398 | K | 93.9 | Very high | 96.2 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -118.3 | 162 | 176.1 | -66.9 | -177.3 | -177.4 | 178.1 | 0 | 110.5 | Y330 F393 S395 R396 | Y330-K398 PolarHBondContact OH-NZ 3.15Å; F393-K398 HydrophobicContact CE2-CB 4.22Å; F393-K398 HydrophobicContact CE2-CD 3.82Å; F393-K398 HydrophobicContact CZ-CB 4.29Å; S395-K398 PolarHBondContact O-N 3.2Å; S395-K398 VanDerWaalsContact O-N 3.14Å; R396-K398 PolarHBondContact O-N 3.24Å; R396-K398 VanDerWaalsContact O-N 3.09Å |
| 399 | T | 95.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 34.4 Ų | 34.4 | 17% | 0.172 | 18% | 0.175 | C | C | . | . | trans | -77.3 | 134.3 | 167.2 | -55.9 | 0 | 0 | 0 | 0 | 107.9 | F393 V401 I484 F485 D642 P644 | F393-T399 WeakPolarHBondContact CZ-O 3.39Å; T399-V401 HydrophobicContact CG2-CG2 3.94Å; T399-I484 CarbonylContact C-O 3.58Å; T399-I484 VanDerWaalsContact CA-O 3.3Å; T399-I484 WeakPolarHBondContact CA-O 3.33Å; T399-I484 WeakPolarHBondContact CG2-O 3.23Å; T399-F485 HydrophobicContact CG2-CD1 3.76Å; T399-F485 HydrophobicContact CG2-CE1 3.91Å; T399-F485 HydrophobicContact CG2-CG 4.44Å; T399-D642 WeakPolarHBondContact O-CA 3.36Å; T399-D642 VanDerWaalsContact O-CB 3.25Å; T399-D642 WeakPolarHBondContact O-CB 3.24Å; T399-P644 HydrophobicContact CG2-CG 3.9Å | ||
| 400 | F | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.4 | 169.2 | 171.3 | -82 | 0 | 0 | 0 | 108.4 | F393 L402 V421 I439 M483 I484 V619 I640 | F393-F400 AromaticContact CD1-CD2 3.73Å; F393-F400 HydrophobicContact CD1-CD2 3.73Å; F393-F400 HydrophobicContact CD1-CE2 4.2Å; F393-F400 HydrophobicContact CE1-CB 3.95Å; F393-F400 AromaticContact CE1-CD2 3.38Å; F393-F400 HydrophobicContact CE1-CD2 3.38Å; F393-F400 HydrophobicContact CE1-CE2 4.24Å; F393-F400 HydrophobicContact CE1-CG 4.07Å; F393-F400 HydrophobicContact CZ-CB 4.47Å; F400-L402 HydrophobicContact CE1-CB 3.53Å; F400-L402 HydrophobicContact CZ-CB 3.81Å; F400-V421 HydrophobicContact CE2-CG1 4.44Å; F400-V421 HydrophobicContact CZ-CG1 4.38Å; F400-V421 HydrophobicContact CZ-CG2 4.09Å; F400-I439 HydrophobicContact CD1-CD1 4.06Å; F400-I439 HydrophobicContact CE1-CD1 3.58Å; F400-I439 HydrophobicContact CZ-CD1 3.87Å; F400-M483 CarbonylContact O-C 3.57Å; F400-M483 WeakPolarHBondContact O-CA 3.38Å; F400-I484 HydrophobicContact CB-CB 4.31Å; F400-I484 HydrophobicContact CD1-CD1 3.95Å; F400-I484 HydrophobicContact CD1-CG1 4.4Å; F400-I484 PolarHBondContact N-O 2.95Å; F400-I484 PolarHBondContact O-N 2.94Å; F400-V619 HydrophobicContact CE2-CG1 4.36Å; F400-I640 HydrophobicContact CE2-CG2 4.1Å |
| 401 | V | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.1 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | T399 T481 L482 M483 I640 T641 P644 A647 | T399-V401 HydrophobicContact CG2-CG2 3.94Å; V401-T481 HydrophobicContact CG1-CG2 3.99Å; V401-L482 WeakPolarHBondContact CA-O 3.48Å; V401-M483 HydrophobicContact CG1-CE 4.37Å; V401-M483 HydrophobicContact CG1-CG 4.08Å; V401-M483 HydrophobicContact CG2-CG 4.14Å; V401-I640 VanDerWaalsContact O-CA 3.31Å; V401-I640 WeakPolarHBondContact O-CA 3.48Å; V401-T641 HydrophobicContact CB-CG2 3.84Å; V401-T641 WeakPolarHBondContact CB-O 3.46Å; V401-T641 HydrophobicContact CG1-CG2 4.26Å; V401-T641 HydrophobicContact CG2-CG2 4.39Å; V401-T641 PolarHBondContact N-O 3.35Å; V401-T641 PolarHBondContact O-N 3.29Å; V401-T641 VanDerWaalsContact O-N 3.11Å; V401-P644 HydrophobicContact CG2-CG 4.08Å; V401-A647 HydrophobicContact CG1-CB 3.64Å |
| 402 | L | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123 | 169.7 | 169.1 | 65.2 | 0 | 0 | 0 | 108.6 | F400 I419 V421 F441 T481 L482 L639 I640 | F400-L402 HydrophobicContact CE1-CB 3.53Å; F400-L402 HydrophobicContact CZ-CB 3.81Å; L402-I419 HydrophobicContact CD1-CG2 4.2Å; L402-I419 HydrophobicContact CD2-CG2 3.74Å; L402-I419 HydrophobicContact CG-CG2 4.36Å; L402-V421 HydrophobicContact CD2-CG2 3.85Å; L402-F441 HydrophobicContact CD2-CB 4.06Å; L402-F441 HydrophobicContact CD2-CD1 3.85Å; L402-F441 HydrophobicContact CD2-CG 4.42Å; L402-F441 HydrophobicContact CG-CD1 4.23Å; L402-T481 CarbonylContact O-C 3.53Å; L402-T481 WeakPolarHBondContact O-CA 3.2Å; L402-L482 PolarHBondContact N-O 2.96Å; L402-L482 PolarHBondContact O-N 3.32Å; L402-L639 WeakPolarHBondContact CA-O 3.38Å; L402-I640 HydrophobicContact CD1-CD1 4.35Å; L402-I640 HydrophobicContact CD1-CG1 3.94Å |
| 403 | Q | 98.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.3 | 178.1 | -178 | 170.5 | -86.3 | 0 | 0 | 110.7 | V479 Y480 T481 I638 L639 A647 | Q403-V479 HydrophobicContact CG-CG1 3.67Å; Q403-Y480 WeakPolarHBondContact CA-O 3.48Å; Q403-T481 HydrophobicContact CB-CG2 4.09Å; Q403-T481 HydrophobicContact CG-CG2 4.38Å; Q403-T481 WeakPolarHBondContact CG-OG1 3.49Å; Q403-T481 PolarHBondContact OE1-OG1 2.97Å; Q403-I638 CarbonylContact O-C 3.56Å; Q403-I638 WeakPolarHBondContact O-CA 3.43Å; Q403-L639 HydrophobicContact CB-CB 4.29Å; Q403-L639 HydrophobicContact CB-CD2 4.48Å; Q403-L639 PolarHBondContact N-O 2.92Å; Q403-L639 PolarHBondContact O-N 3.38Å; Q403-A647 PolarHBondContact NE2-O 3.21Å; Q403-A647 PolarHBondContact OE1-O 2.82Å |
| 404 | Y | 98.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 165.4 | 170.7 | 68.6 | -69.6 | 0 | 0 | 0 | 110.6 | V406 A417 Y418 I419 F441 G442 V479 Y480 F624 F635 N637 | Y404-V406 HydrophobicContact CD2-CG2 3.68Å; Y404-V406 HydrophobicContact CE2-CG2 3.24Å; Y404-A417 PolarHBondContact OH-O 3.36Å; Y404-Y418 WeakPolarHBondContact OH-CA 3.5Å; Y404-I419 HydrophobicContact CD1-CG2 4.04Å; Y404-I419 HydrophobicContact CE1-CB 4.38Å; Y404-I419 HydrophobicContact CE1-CG2 3.61Å; Y404-F441 AromaticContact CE1-CD1 3.98Å; Y404-F441 HydrophobicContact CE1-CD1 3.98Å; Y404-F441 HydrophobicContact CE1-CE1 4.22Å; Y404-F441 PolarHBondContact OH-O 3.12Å; Y404-G442 WeakPolarHBondContact OH-CA 3.12Å; Y404-V479 WeakPolarHBondContact O-CA 3.33Å; Y404-Y480 PolarHBondContact N-O 3.39Å; Y404-Y480 VanDerWaalsContact N-O 3.11Å; Y404-Y480 PolarHBondContact O-N 3.32Å; Y404-F624 HydrophobicContact CE2-CE1 4.37Å; Y404-F635 HydrophobicContact CD2-CD1 4.36Å; Y404-F635 HydrophobicContact CE2-CD1 4.21Å; Y404-N637 WeakPolarHBondContact CA-O 3.48Å |
| 405 | S | 97.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.4 | 178.7 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | H478 F635 D636 N637 | S405-H478 CarbonylContact C-O 3.54Å; S405-H478 VanDerWaalsContact CA-O 3.22Å; S405-H478 WeakPolarHBondContact CA-O 3.32Å; S405-F635 WeakPolarHBondContact O-CA 3.28Å; S405-D636 PolarHBondContact N-O 2.53Å; S405-D636 PolarHBondContact O-N 3.45Å; S405-D636 PolarHBondContact OG-O 3.31Å; S405-N637 PolarHBondContact OG-ND2 3.12Å |
| 406 | V | 97.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.3 | 178.4 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | Y404 A417 P443 T477 H478 Y480 T633 I634 F635 | Y404-V406 HydrophobicContact CD2-CG2 3.68Å; Y404-V406 HydrophobicContact CE2-CG2 3.24Å; V406-A417 HydrophobicContact CG1-CB 3.69Å; V406-A417 HydrophobicContact CG2-CB 4.45Å; V406-P443 HydrophobicContact CG1-CG 4.45Å; V406-P443 HydrophobicContact CG2-CG 4.36Å; V406-T477 WeakPolarHBondContact O-CA 3.43Å; V406-H478 PolarHBondContact N-O 3.22Å; V406-H478 PolarHBondContact O-N 3.03Å; V406-Y480 HydrophobicContact CB-CD2 4.37Å; V406-Y480 HydrophobicContact CB-CE2 3.95Å; V406-Y480 HydrophobicContact CG2-CD2 4.04Å; V406-Y480 HydrophobicContact CG2-CE2 4.05Å; V406-T633 HydrophobicContact CG1-CG2 3.6Å; V406-I634 CarbonylContact C-O 3.55Å; V406-I634 WeakPolarHBondContact CA-O 3.44Å; V406-F635 HydrophobicContact CG1-CE1 4.43Å; V406-F635 HydrophobicContact CG2-CD1 3.97Å; V406-F635 HydrophobicContact CG2-CE1 4.12Å |
| 407 | K | 96.5 | Very high | 95 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 117.4 | 172 | 178.3 | -177.9 | -179.2 | 166.3 | 0 | 110.9 | Y364 E409 T633 I634 E662 | Y364-K407 PolarHBondContact O-NZ 3.49Å; K407-E409 HydrophobicContact CD-CB 4.44Å; K407-E409 HydrophobicContact CG-CB 4.28Å; K407-E409 PolarHBondContact O-N 3.02Å; K407-T633 CarbonylContact O-C 3.5Å; K407-T633 WeakPolarHBondContact O-CA 3.23Å; K407-I634 HydrophobicContact CB-CB 4.32Å; K407-I634 HydrophobicContact CD-CD1 4.38Å; K407-I634 PolarHBondContact N-O 2.67Å; K407-I634 PolarHBondContact O-N 3.39Å; K407-E662 WeakPolarHBondContact CD-OE1 3.4Å; K407-E662 VanDerWaalsContact CE-OE1 3.23Å; K407-E662 WeakPolarHBondContact CE-OE1 3.35Å; K407-E662 IonicContact NZ-OE1 3.81Å; K407-E662 PolarHBondContact NZ-OE1 3.38Å |
| 408 | H | 95.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 22.7 Ų | 22.7 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 66.2 | 174.2 | -66.3 | -59.6 | 0 | 0 | 0 | 111.7 | Q410 I412 A417 N475 T633 | H408-Q410 VanDerWaalsContact C-OE1 3.27Å; H408-Q410 PolarHBondContact O-N 2.84Å; H408-I412 HydrophobicContact CB-CB 4.46Å; H408-I412 HydrophobicContact CB-CG2 3.88Å; H408-A417 VanDerWaalsContact CE1-CB 3.44Å; H408-A417 WeakPolarHBondContact CE1-CB 3.23Å; H408-N475 PolarHBondContact O-OD1 2.75Å; H408-T633 PolarHBondContact CE1-OG1 2.79Å; H408-T633 WeakPolarHBondContact ND1-CG2 3.24Å; H408-T633 PolarHBondContact ND1-OG1 3.31Å |
| 409 | E | 92.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.8 | -174.9 | 72.8 | 154.7 | 146.6 | 0 | 0 | 114.3 | G362 R363 Y364 Q375 K407 N411 | G362-E409 WeakPolarHBondContact CA-OE1 3.46Å; R363-E409 VanDerWaalsContact CB-OE2 3.29Å; R363-E409 WeakPolarHBondContact CB-OE2 3.32Å; R363-E409 WeakPolarHBondContact CG-OE2 3.45Å; R363-E409 IonicContact CZ-OE2 2.63Å; R363-E409 PolarHBondContact N-OE1 3Å; R363-E409 PolarHBondContact N-OE2 3.09Å; R363-E409 IonicContact NE-OE2 3.91Å; R363-E409 PolarHBondContact NE-OE2 3.28Å; R363-E409 PolarHBondContact NH2-O 2.72Å; R363-E409 IonicContact NH2-OE2 3.56Å; Y364-E409 HydrophobicContact CE1-CB 4.15Å; Q375-E409 PolarHBondContact NE2-OE1 3.05Å; K407-E409 HydrophobicContact CD-CB 4.44Å; K407-E409 HydrophobicContact CG-CB 4.28Å; K407-E409 PolarHBondContact O-N 3.02Å; E409-N411 VanDerWaalsContact C-N 3.35Å; E409-N411 PolarHBondContact O-N 3.44Å |
| 410 | Q | 91.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.037 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.6 | -170.5 | 72.2 | -86.1 | 30.6 | 0 | 0 | 114.4 | H408 I412 K630 C631 G632 T633 | H408-Q410 VanDerWaalsContact C-OE1 3.27Å; H408-Q410 PolarHBondContact O-N 2.84Å; Q410-I412 HydrophobicContact CG-CB 4.22Å; Q410-K630 HydrophobicContact CB-CD 4.19Å; Q410-K630 HydrophobicContact CB-CG 4.35Å; Q410-K630 HydrophobicContact CG-CB 4.35Å; Q410-K630 HydrophobicContact CG-CD 3.98Å; Q410-K630 HydrophobicContact CG-CG 3.97Å; Q410-K630 PolarHBondContact NE2-O 3.11Å; Q410-K630 WeakPolarHBondContact O-CD 3.49Å; Q410-K630 WeakPolarHBondContact O-CE 3.23Å; Q410-K630 PolarHBondContact O-NZ 2.89Å; Q410-C631 WeakPolarHBondContact CB-O 3.24Å; Q410-C631 VanDerWaalsContact CG-O 3.29Å; Q410-C631 WeakPolarHBondContact CG-O 3.41Å; Q410-G632 VanDerWaalsContact CD-C 3.46Å; Q410-G632 PolarHBondContact OE1-O 2.93Å; Q410-T633 PolarHBondContact NE2-OG1 3.4Å |
| 411 | N | 89.3 | Confident | 95.7 | Very high | 94 Ų | 94 | 16.9 Ų | 16.9 | 50% | 0.503 | 9% | 0.085 | S | C | . | . | trans | 51.8 | 74.2 | -159.9 | -60.1 | -68.8 | 0 | 0 | 0 | 109.2 | E409 N475 | E409-N411 VanDerWaalsContact C-N 3.35Å; E409-N411 PolarHBondContact O-N 3.44Å; N411-N475 VanDerWaalsContact OD1-CG 3.29Å; N411-N475 PolarHBondContact OD1-ND2 2.76Å; N411-N475 PolarHBondContact OD1-OD1 2.82Å | ||
| 412 | I | 90.9 | Very high | 95.7 | Very high | 18 Ų | 18 | 16.9 Ų | 16.9 | 9% | 0.092 | 9% | 0.085 | C | C | . | . | trans | -68.3 | 133.5 | -178.2 | -165 | 170.8 | 0 | 0 | 0 | 109.9 | H408 Q410 I445 Q628 | H408-I412 HydrophobicContact CB-CB 4.46Å; H408-I412 HydrophobicContact CB-CG2 3.88Å; Q410-I412 HydrophobicContact CG-CB 4.22Å; I412-I445 HydrophobicContact CG2-CB 4.32Å; I412-I445 HydrophobicContact CG2-CD1 3.39Å; I412-I445 HydrophobicContact CG2-CG1 4.46Å; I412-I445 HydrophobicContact CG2-CG2 4.3Å; I412-Q628 HydrophobicContact CD1-CG 4.22Å | ||
| 413 | E | 90.5 | Very high | 95.7 | Very high | 139 Ų | 139 | 17.9 Ų | 17.9 | 65% | 0.65 | 9% | 0.092 | S | C | * | . | S | Bend | trans | -96.8 | -45.1 | 177.8 | -70.2 | 171.3 | -159.3 | 0 | 0 | 111.2 | G447 | E413-G447 PolarHBondContact O-N 2.97Š|
| 414 | C | 95 | Very high | 95.6 | Very high | 24 Ų | 24 | 18.4 Ų | 18.4 | 16% | 0.162 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 126.7 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | I445 C446 M629 | C414-I445 CarbonylContact C-O 3.51Å; C414-I445 WeakPolarHBondContact CA-O 3.45Å; C414-C446 HydrophobicContact CB-CB 3.96Å; C414-C446 WeakPolarHBondContact CB-SG 3.36Å; C414-C446 WeakPolarHBondContact SG-CB 3.35Å; C414-C446 CovalentContact SG-SG 2.06Å; C414-C446 PolarHBondContact SG-SG 3.3Å; C414-M629 HydrophobicContact CB-CB 4.43Å; C414-M629 HydrophobicContact CB-CG 3.85Å; C414-M629 WeakPolarHBondContact O-CB 3.25Å; C414-M629 PolarHBondContact O-N 3.47Å |
| 415 | G | 95 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | 150.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I445 W627 | G415-I445 PolarHBondContact N-O 2.06Å; G415-I445 PolarHBondContact O-N 3.47Å; G415-W627 CarbonylContact C-O 3.58Å; G415-W627 WeakPolarHBondContact CA-O 3.3Å |
| 416 | G | 95 | Very high | 95.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 155.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D444 W627 Q628 | G416-D444 WeakPolarHBondContact CA-OD1 3.38Å; G416-D444 PolarHBondContact N-OD1 3.06Å; G416-W627 PolarHBondContact N-O 3.41Å; G416-Q628 PolarHBondContact O-NE2 2.84Å |
| 417 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -145.5 | 36.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y404 V406 H408 P443 T633 F635 | Y404-A417 PolarHBondContact OH-O 3.36Å; V406-A417 HydrophobicContact CG1-CB 3.69Å; V406-A417 HydrophobicContact CG2-CB 4.45Å; H408-A417 VanDerWaalsContact CE1-CB 3.44Å; H408-A417 WeakPolarHBondContact CE1-CB 3.23Å; A417-P443 CarbonylContact C-O 3.57Å; A417-P443 HydrophobicContact CB-CG 3.99Å; A417-P443 PolarHBondContact N-O 3.15Å; A417-T633 HydrophobicContact CB-CG2 3.99Å; A417-F635 HydrophobicContact CB-CE1 3.55Å; A417-F635 HydrophobicContact CB-CZ 3.62Å | ||
| 418 | Y | 97.7 | Very high | 95.6 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | trans | -88.2 | 155.8 | 173.1 | 51.3 | -98.6 | 0 | 0 | 0 | 112.5 | Y404 M440 F441 P443 D444 E625 I626 | Y404-Y418 WeakPolarHBondContact OH-CA 3.5Å; Y418-M440 HydrophobicContact CD2-CE 4.08Å; Y418-M440 HydrophobicContact CD2-CG 3.52Å; Y418-M440 HydrophobicContact CD2-SD 3.75Å; Y418-M440 HydrophobicContact CE2-CE 3.7Å; Y418-M440 HydrophobicContact CE2-CG 4.15Å; Y418-M440 HydrophobicContact CE2-SD 3.83Å; Y418-M440 HydrophobicContact CG-CG 3.96Å; Y418-M440 HydrophobicContact CG-SD 4.16Å; Y418-F441 WeakPolarHBondContact CA-O 3.38Å; Y418-P443 PolarHBondContact N-O 3.24Å; Y418-D444 HydrophobicContact CD1-CB 4.24Å; Y418-D444 HydrophobicContact CE1-CB 4.42Å; Y418-E625 WeakPolarHBondContact CE2-O 3.48Å; Y418-E625 PolarHBondContact OH-O 2.74Å; Y418-I626 HydrophobicContact CD2-CG2 4.11Å; Y418-I626 HydrophobicContact CE1-CG2 4.32Å; Y418-I626 HydrophobicContact CE2-CG2 3.88Å; Y418-I626 HydrophobicContact CG-CG2 4.43Å | ||
| 419 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.9 | 175 | -163.2 | 173.1 | 0 | 0 | 0 | 109.8 | L402 Y404 M440 F441 V622 F624 I638 | L402-I419 HydrophobicContact CD1-CG2 4.2Å; L402-I419 HydrophobicContact CD2-CG2 3.74Å; L402-I419 HydrophobicContact CG-CG2 4.36Å; Y404-I419 HydrophobicContact CD1-CG2 4.04Å; Y404-I419 HydrophobicContact CE1-CB 4.38Å; Y404-I419 HydrophobicContact CE1-CG2 3.61Å; I419-M440 WeakPolarHBondContact O-CA 3.35Å; I419-F441 PolarHBondContact N-O 3.34Å; I419-F441 PolarHBondContact O-N 3.08Å; I419-V622 HydrophobicContact CD1-CB 3.9Å; I419-V622 HydrophobicContact CD1-CG1 4.29Å; I419-V622 HydrophobicContact CD1-CG2 4.28Å; I419-V622 HydrophobicContact CG1-CB 4.24Å; I419-F624 HydrophobicContact CB-CD1 4.17Å; I419-F624 HydrophobicContact CB-CE1 3.76Å; I419-F624 HydrophobicContact CB-CZ 4.44Å; I419-F624 HydrophobicContact CD1-CE1 3.97Å; I419-F624 HydrophobicContact CD1-CE2 4.38Å; I419-F624 HydrophobicContact CD1-CZ 3.77Å; I419-F624 HydrophobicContact CG1-CD1 4.17Å; I419-F624 HydrophobicContact CG1-CE1 3.8Å; I419-F624 HydrophobicContact CG1-CZ 4.08Å; I419-I638 HydrophobicContact CD1-CG2 3.81Å |
| 420 | K | 98.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.1 | 172.5 | -66.7 | -177.9 | -176.5 | 173.3 | 0 | 110.2 | L422 F431 Y437 I439 M440 V622 G623 E625 | K420-L422 HydrophobicContact CB-CD2 4.2Å; K420-F431 HydrophobicContact CB-CZ 4.42Å; K420-F431 HydrophobicContact CD-CE2 4.12Å; K420-F431 HydrophobicContact CD-CZ 4.09Å; K420-Y437 HydrophobicContact CD-CD1 3.89Å; K420-Y437 HydrophobicContact CD-CE1 4.49Å; K420-Y437 HydrophobicContact CD-CG 4.21Å; K420-Y437 HydrophobicContact CG-CD1 4.45Å; K420-Y437 HydrophobicContact CG-CG 4.35Å; K420-I439 CarbonylContact C-O 3.57Å; K420-I439 VanDerWaalsContact CA-O 3.3Å; K420-I439 WeakPolarHBondContact CA-O 3.39Å; K420-M440 HydrophobicContact CD-CE 4.28Å; K420-M440 HydrophobicContact CG-CB 4.29Å; K420-M440 HydrophobicContact CG-CE 4.23Å; K420-M440 HydrophobicContact CG-CG 4.28Å; K420-V622 CarbonylContact O-C 3.6Å; K420-V622 VanDerWaalsContact O-CA 3.24Å; K420-V622 WeakPolarHBondContact O-CA 3.11Å; K420-G623 PolarHBondContact N-O 2.94Å; K420-G623 PolarHBondContact O-N 3.48Å; K420-E625 HydrophobicContact CD-CB 4.38Å; K420-E625 IonicContact NZ-OE2 2.72Å; K420-E625 PolarHBondContact NZ-OE2 2.9Å |
| 421 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.9 | 171.5 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | F400 L402 Y437 Y438 I439 V619 | F400-V421 HydrophobicContact CE2-CG1 4.44Å; F400-V421 HydrophobicContact CZ-CG1 4.38Å; F400-V421 HydrophobicContact CZ-CG2 4.09Å; L402-V421 HydrophobicContact CD2-CG2 3.85Å; V421-Y437 WeakPolarHBondContact O-CB 3.44Å; V421-Y438 PolarHBondContact O-N 3.19Å; V421-I439 HydrophobicContact CB-CB 3.97Å; V421-I439 HydrophobicContact CB-CG1 4.45Å; V421-I439 HydrophobicContact CG2-CB 3.97Å; V421-I439 PolarHBondContact N-O 2.99Å; V421-V619 HydrophobicContact CG1-CG1 3.39Å; V421-V619 HydrophobicContact CG1-CG2 4.47Å |
| 422 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.8 | -163.3 | -55.9 | 168.4 | 0 | 0 | 0 | 111.3 | K420 T426 F431 T435 G620 A621 | K420-L422 HydrophobicContact CB-CD2 4.2Å; L422-T426 HydrophobicContact CB-CG2 4.42Å; L422-T426 HydrophobicContact CD1-CG2 4.28Å; L422-F431 HydrophobicContact CD1-CD2 4.06Å; L422-F431 HydrophobicContact CD1-CE2 3.77Å; L422-F431 HydrophobicContact CD1-CZ 4.24Å; L422-F431 HydrophobicContact CD2-CE2 3.96Å; L422-F431 HydrophobicContact CG-CE2 4.47Å; L422-T435 HydrophobicContact CD2-CG2 4.43Å; L422-G620 PolarHBondContact O-N 3.07Å; L422-A621 HydrophobicContact CB-CB 3.82Å; L422-A621 HydrophobicContact CD1-CB 4.07Å; L422-A621 PolarHBondContact N-O 2.9Å; L422-A621 PolarHBondContact O-N 2.89Å; L422-A621 VanDerWaalsContact O-N 3.11Å |
| 423 | S | 97.2 | Very high | 96.8 | Very high | 21 Ų | 21 | 38 Ų | 38 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 150.7 | 172.1 | 162.3 | 0 | 0 | 0 | 0 | 111.6 | E425 T426 D618 | S423-E425 PolarHBondContact O-N 2.76Å; S423-E425 PolarHBondContact OG-N 2.61Å; S423-E425 VanDerWaalsContact OG-N 3.09Å; S423-T426 PolarHBondContact N-OG1 3.42Å; S423-T426 WeakPolarHBondContact O-CB 3.46Å; S423-T426 PolarHBondContact O-N 2.85Å; S423-T426 VanDerWaalsContact O-N 3.13Å; S423-T426 PolarHBondContact O-OG1 3.18Å; S423-D618 CarbonylContact C-O 3.39Å; S423-D618 WeakPolarHBondContact CB-OD2 3.5Å; S423-D618 PolarHBondContact OG-OD2 3.26Å |
| 424 | A | 97.1 | Very high | 97 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K388 I392 D618 | K388-A424 PolarHBondContact NZ-O 3.19Å; I392-A424 HydrophobicContact CD1-CB 3.86Å; I392-A424 HydrophobicContact CG1-CB 4.11Å; I392-A424 HydrophobicContact CG2-CB 4.32Å; A424-D618 HydrophobicContact CB-CB 4.36Å; A424-D618 WeakPolarHBondContact CB-O 3.21Å; A424-D618 PolarHBondContact N-O 2.67Å |
| 425 | E | 96.2 | Very high | 97.1 | Very high | 166 Ų | 166 | 37.9 Ų | 37.9 | 78% | 0.776 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -3.9 | -179.2 | -62.1 | -55.7 | 135.7 | 0 | 0 | 113.7 | S423 D427 | S423-E425 PolarHBondContact O-N 2.76Å; S423-E425 PolarHBondContact OG-N 2.61Å; S423-E425 VanDerWaalsContact OG-N 3.09Å; E425-D427 PolarHBondContact O-N 2.97Å |
| 426 | T | 97.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | trans | -60.7 | 126.9 | -177.5 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | K388 L422 S423 L428 T435 | K388-T426 PolarHBondContact NZ-O 3.39Å; L422-T426 HydrophobicContact CB-CG2 4.42Å; L422-T426 HydrophobicContact CD1-CG2 4.28Å; S423-T426 PolarHBondContact N-OG1 3.42Å; S423-T426 WeakPolarHBondContact O-CB 3.46Å; S423-T426 PolarHBondContact O-N 2.85Å; S423-T426 VanDerWaalsContact O-N 3.13Å; S423-T426 PolarHBondContact O-OG1 3.18Å; T426-L428 HydrophobicContact CG2-CD2 4.31Å; T426-L428 PolarHBondContact O-N 3.33Å; T426-T435 HydrophobicContact CG2-CG2 3.58Å | ||
| 427 | D | 97.7 | Very high | 97.3 | Very high | 94 Ų | 94 | 44 Ų | 44 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | trans | -73.5 | 111.3 | 170 | -175.8 | 2.8 | 0 | 0 | 0 | 109.8 | E425 N429 D430 F431 | E425-D427 PolarHBondContact O-N 2.97Å; D427-N429 VanDerWaalsContact C-N 3.29Å; D427-N429 PolarHBondContact O-N 2.96Å; D427-N429 WeakPolarHBondContact OD1-CB 3.36Å; D427-N429 PolarHBondContact OD1-N 2.94Å; D427-N429 PolarHBondContact OD1-ND2 2.98Å; D427-D430 PolarHBondContact O-N 2.96Å; D427-F431 PolarHBondContact O-N 3.22Å | ||
| 428 | L | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -74.6 | -21 | -177.6 | -57 | -166.8 | 0 | 0 | 0 | 112.6 | V346 S386 K388 T426 D430 A621 | V346-L428 HydrophobicContact CB-CB 3.95Å; V346-L428 HydrophobicContact CB-CD1 4.48Å; V346-L428 HydrophobicContact CG1-CB 3.99Å; V346-L428 HydrophobicContact CG2-CB 4.24Å; V346-L428 HydrophobicContact CG2-CD1 4.18Å; S386-L428 WeakPolarHBondContact OG-CB 3.44Å; S386-L428 WeakPolarHBondContact OG-CD2 3.49Å; K388-L428 HydrophobicContact CD-CD1 4.14Å; K388-L428 HydrophobicContact CG-CD1 3.85Å; T426-L428 HydrophobicContact CG2-CD2 4.31Å; T426-L428 PolarHBondContact O-N 3.33Å; L428-D430 VanDerWaalsContact C-N 3.32Å; L428-A621 HydrophobicContact CD2-CB 3.87Å |
| 429 | N | 97.6 | Very high | 97.3 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -75.3 | -24.3 | 177.7 | -61.3 | -66.4 | 0 | 0 | 0 | 112.1 | S348 S349 D427 | S348-N429 PolarHBondContact OG-O 3.2Å; S349-N429 WeakPolarHBondContact CA-O 3.43Å; S349-N429 PolarHBondContact N-O 3.17Å; S349-N429 PolarHBondContact OG-O 2.9Å; D427-N429 VanDerWaalsContact C-N 3.29Å; D427-N429 PolarHBondContact O-N 2.96Å; D427-N429 WeakPolarHBondContact OD1-CB 3.36Å; D427-N429 PolarHBondContact OD1-N 2.94Å; D427-N429 PolarHBondContact OD1-ND2 2.98Å |
| 430 | D | 97.8 | Very high | 97.2 | Very high | 77 Ų | 77 | 46 Ų | 46 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -108.7 | 21.2 | 176.9 | -163.5 | 40.5 | 0 | 0 | 0 | 112.2 | H350 D427 L428 N432 | H350-D430 WeakPolarHBondContact CB-OD1 3.08Å; H350-D430 IonicContact CE1-OD1 3.04Å; H350-D430 IonicContact CG-OD1 3.56Å; H350-D430 IonicContact ND1-OD1 2.74Å; H350-D430 PolarHBondContact ND1-OD1 2.84Å; D427-D430 PolarHBondContact O-N 2.96Å; L428-D430 VanDerWaalsContact C-N 3.32Å; D430-N432 PolarHBondContact O-N 2.64Å; D430-N432 PolarHBondContact O-ND2 3.37Å |
| 431 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -64.8 | 124.6 | -180 | 177.4 | -126.4 | 0 | 0 | 0 | 111.9 | S348 A384 K420 L422 D427 T435 E625 | S348-F431 WeakPolarHBondContact CB-O 3.28Å; S348-F431 PolarHBondContact OG-N 2.96Å; S348-F431 PolarHBondContact OG-O 2.8Å; A384-F431 HydrophobicContact CB-CD1 4.33Å; K420-F431 HydrophobicContact CB-CZ 4.42Å; K420-F431 HydrophobicContact CD-CE2 4.12Å; K420-F431 HydrophobicContact CD-CZ 4.09Å; L422-F431 HydrophobicContact CD1-CD2 4.06Å; L422-F431 HydrophobicContact CD1-CE2 3.77Å; L422-F431 HydrophobicContact CD1-CZ 4.24Å; L422-F431 HydrophobicContact CD2-CE2 3.96Å; L422-F431 HydrophobicContact CG-CE2 4.47Å; D427-F431 PolarHBondContact O-N 3.22Å; F431-T435 HydrophobicContact CD2-CG2 4Å; F431-E625 HydrophobicContact CE1-CB 3.74Å; F431-E625 HydrophobicContact CE2-CB 4.34Å; F431-E625 HydrophobicContact CZ-CB 3.6Å | ||
| 432 | N | 97.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | trans | -154.7 | -172.7 | -172.3 | 65.4 | 53.9 | 0 | 0 | 0 | 112.3 | H350 D430 L434 T435 | H350-N432 HydrophobicContact CB-CB 4.13Å; H350-N432 PolarHBondContact CE1-ND2 3.34Å; H350-N432 PolarHBondContact ND1-ND2 3Å; H350-N432 VanDerWaalsContact ND1-ND2 3.12Å; D430-N432 PolarHBondContact O-N 2.64Å; D430-N432 PolarHBondContact O-ND2 3.37Å; N432-L434 VanDerWaalsContact C-N 3.3Å; N432-L434 PolarHBondContact O-N 2.85Å; N432-L434 WeakPolarHBondContact OD1-CA 3.27Å; N432-L434 WeakPolarHBondContact OD1-CB 3.4Å; N432-L434 PolarHBondContact OD1-N 3.16Å; N432-T435 PolarHBondContact N-OG1 2.73Å; N432-T435 WeakPolarHBondContact O-CB 3.23Å; N432-T435 PolarHBondContact O-N 3.03Å; N432-T435 PolarHBondContact O-OG1 2.75Å; N432-T435 PolarHBondContact OD1-N 3.47Å; N432-T435 VanDerWaalsContact OD1-N 3.1Å; N432-T435 PolarHBondContact OD1-OG1 3.3Å | ||
| 433 | E | 94.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 46 Ų | 46 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29.4 | -177.9 | 68.7 | -81 | -166.8 | 0 | 0 | 113.8 | E625 | E433-E625 WeakPolarHBondContact CA-OE2 3.06Š|
| 434 | L | 95.2 | Very high | 97 | Very high | 143 Ų | 143 | 47 Ų | 47 | 75% | 0.749 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9.8 | 179.3 | -56.8 | -179.6 | 0 | 0 | 0 | 113 | N432 P436 | N432-L434 VanDerWaalsContact C-N 3.3Å; N432-L434 PolarHBondContact O-N 2.85Å; N432-L434 WeakPolarHBondContact OD1-CA 3.27Å; N432-L434 WeakPolarHBondContact OD1-CB 3.4Å; N432-L434 PolarHBondContact OD1-N 3.16Å; L434-P436 WeakPolarHBondContact O-CD 3.25Å |
| 435 | T | 96.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 46.7 Ų | 46.7 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -59.8 | 124.1 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | L422 T426 F431 N432 Y437 | L422-T435 HydrophobicContact CD2-CG2 4.43Å; T426-T435 HydrophobicContact CG2-CG2 3.58Å; F431-T435 HydrophobicContact CD2-CG2 4Å; N432-T435 PolarHBondContact N-OG1 2.73Å; N432-T435 WeakPolarHBondContact O-CB 3.23Å; N432-T435 PolarHBondContact O-N 3.03Å; N432-T435 PolarHBondContact O-OG1 2.75Å; N432-T435 PolarHBondContact OD1-N 3.47Å; N432-T435 VanDerWaalsContact OD1-N 3.1Å; N432-T435 PolarHBondContact OD1-OG1 3.3Å; T435-Y437 PolarHBondContact O-N 2.81Å |
| 436 | P | 96.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 41.5 Ų | 41.5 | 72% | 0.721 | 22% | 0.224 | S | C | * | . | trans | -57.6 | 135.2 | 176.4 | -25.2 | 34.7 | 0 | 0 | 0 | 111.8 | L434 | L434-P436 WeakPolarHBondContact O-CD 3.25Š| ||
| 437 | Y | 97 | Very high | 96.4 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | trans | -132.5 | 155.6 | 177.6 | 61.3 | -95.3 | 0 | 0 | 0 | 110.4 | K420 V421 T435 M440 F455 N462 | K420-Y437 HydrophobicContact CD-CD1 3.89Å; K420-Y437 HydrophobicContact CD-CE1 4.49Å; K420-Y437 HydrophobicContact CD-CG 4.21Å; K420-Y437 HydrophobicContact CG-CD1 4.45Å; K420-Y437 HydrophobicContact CG-CG 4.35Å; V421-Y437 WeakPolarHBondContact O-CB 3.44Å; T435-Y437 PolarHBondContact O-N 2.81Å; Y437-M440 HydrophobicContact CD2-CB 3.98Å; Y437-M440 HydrophobicContact CE1-CE 4.04Å; Y437-M440 HydrophobicContact CE2-CB 3.55Å; Y437-F455 HydrophobicContact CE2-CB 4.04Å; Y437-N462 VanDerWaalsContact OH-CG 3.28Å; Y437-N462 PolarHBondContact OH-ND2 2.88Å; Y437-N462 VanDerWaalsContact OH-ND2 3.09Å | ||
| 438 | Y | 97 | Very high | 95.9 | Very high | 50 Ų | 50 | 49 Ų | 49 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -86.7 | -44.2 | 175.9 | -68.2 | -29.2 | 0 | 0 | 0 | 111.9 | V421 F456 G457 H616 D618 V619 | V421-Y438 PolarHBondContact O-N 3.19Å; Y438-F456 WeakPolarHBondContact O-CA 3.38Å; Y438-G457 PolarHBondContact O-N 3.34Å; Y438-H616 WeakPolarHBondContact CB-NE2 3.32Å; Y438-H616 HydrophobicContact CD1-CB 4.5Å; Y438-H616 AromaticContact CD1-CE1 3.26Å; Y438-H616 WeakPolarHBondContact CD1-CE1 3.4Å; Y438-H616 AromaticContact CD1-CG 3.71Å; Y438-H616 AromaticContact CD1-ND1 3.09Å; Y438-H616 WeakPolarHBondContact CD1-ND1 3.34Å; Y438-H616 AromaticContact CD1-NE2 3.94Å; Y438-H616 HydrophobicContact CD2-CB 3.67Å; Y438-H616 AromaticContact CD2-CG 3.58Å; Y438-H616 AromaticContact CD2-ND1 3.85Å; Y438-H616 AromaticContact CE1-CE1 3.91Å; Y438-H616 AromaticContact CE1-ND1 3.35Å; Y438-H616 VanDerWaalsContact CE1-ND1 3.35Å; Y438-H616 WeakPolarHBondContact CE1-ND1 3.45Å; Y438-H616 HydrophobicContact CE2-CB 3.67Å; Y438-H616 AromaticContact CE2-CG 3.92Å; Y438-H616 HydrophobicContact CG-CB 4.09Å; Y438-H616 AromaticContact CG-CD2 3.71Å; Y438-H616 AromaticContact CG-CE1 3.57Å; Y438-H616 AromaticContact CG-CG 3.44Å; Y438-H616 VanDerWaalsContact CG-CG 3.44Å; Y438-H616 AromaticContact CG-ND1 3.37Å; Y438-H616 AromaticContact CG-NE2 3.78Å; Y438-H616 AromaticContact CZ-ND1 3.8Å; Y438-D618 VanDerWaalsContact CE2-OD1 3.3Å; Y438-D618 WeakPolarHBondContact CE2-OD1 3.46Å; Y438-D618 VanDerWaalsContact CZ-OD1 3.26Å; Y438-D618 VanDerWaalsContact OH-CG 3.3Å; Y438-D618 PolarHBondContact OH-OD1 3.13Å; Y438-D618 PolarHBondContact OH-OD2 2.82Å; Y438-V619 HydrophobicContact CD2-CG2 4.1Å; Y438-V619 HydrophobicContact CE2-CG2 4.48Å |
| 439 | I | 97.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.1 | -178.2 | -52.4 | 176 | 0 | 0 | 0 | 108.4 | F400 K420 V421 F441 F455 F456 L482 I484 | F400-I439 HydrophobicContact CD1-CD1 4.06Å; F400-I439 HydrophobicContact CE1-CD1 3.58Å; F400-I439 HydrophobicContact CZ-CD1 3.87Å; K420-I439 CarbonylContact C-O 3.57Å; K420-I439 VanDerWaalsContact CA-O 3.3Å; K420-I439 WeakPolarHBondContact CA-O 3.39Å; V421-I439 HydrophobicContact CB-CB 3.97Å; V421-I439 HydrophobicContact CB-CG1 4.45Å; V421-I439 HydrophobicContact CG2-CB 3.97Å; V421-I439 PolarHBondContact N-O 2.99Å; I439-F441 HydrophobicContact CG2-CB 4.16Å; I439-F455 VanDerWaalsContact CA-O 3.3Å; I439-F455 WeakPolarHBondContact CA-O 3.39Å; I439-F456 HydrophobicContact CD1-CD1 4.5Å; I439-F456 HydrophobicContact CD1-CE1 3.92Å; I439-F456 HydrophobicContact CG1-CD1 3.88Å; I439-F456 HydrophobicContact CG1-CE1 3.76Å; I439-F456 HydrophobicContact CG2-CE1 4.35Å; I439-L482 HydrophobicContact CG2-CD2 3.65Å; I439-I484 HydrophobicContact CD1-CD1 3.73Å |
| 440 | M | 98.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.7 | 161.9 | 175.5 | -161.5 | -77.4 | 0 | 0 | 107.8 | Y418 I419 K420 Y437 V454 F455 | Y418-M440 HydrophobicContact CD2-CE 4.08Å; Y418-M440 HydrophobicContact CD2-CG 3.52Å; Y418-M440 HydrophobicContact CD2-SD 3.75Å; Y418-M440 HydrophobicContact CE2-CE 3.7Å; Y418-M440 HydrophobicContact CE2-CG 4.15Å; Y418-M440 HydrophobicContact CE2-SD 3.83Å; Y418-M440 HydrophobicContact CG-CG 3.96Å; Y418-M440 HydrophobicContact CG-SD 4.16Å; I419-M440 WeakPolarHBondContact O-CA 3.35Å; K420-M440 HydrophobicContact CD-CE 4.28Å; K420-M440 HydrophobicContact CG-CB 4.29Å; K420-M440 HydrophobicContact CG-CE 4.23Å; K420-M440 HydrophobicContact CG-CG 4.28Å; Y437-M440 HydrophobicContact CD2-CB 3.98Å; Y437-M440 HydrophobicContact CE1-CE 4.04Å; Y437-M440 HydrophobicContact CE2-CB 3.55Å; M440-V454 WeakPolarHBondContact O-CA 3.42Å; M440-F455 HydrophobicContact CB-CB 4.12Å; M440-F455 HydrophobicContact CB-CD2 4.33Å; M440-F455 HydrophobicContact CG-CD2 4.42Å; M440-F455 PolarHBondContact N-O 2.75Å; M440-F455 PolarHBondContact O-N 3.39Å; M440-F455 HydrophobicContact SD-CD2 3.75Å; M440-F455 HydrophobicContact SD-CE2 4.12Å |
| 441 | F | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 126.6 | -172.2 | 173.4 | -124.3 | 0 | 0 | 0 | 112.1 | L402 Y404 Y418 I419 I439 I452 H453 V454 L482 V492 | L402-F441 HydrophobicContact CD2-CB 4.06Å; L402-F441 HydrophobicContact CD2-CD1 3.85Å; L402-F441 HydrophobicContact CD2-CG 4.42Å; L402-F441 HydrophobicContact CG-CD1 4.23Å; Y404-F441 AromaticContact CE1-CD1 3.98Å; Y404-F441 HydrophobicContact CE1-CD1 3.98Å; Y404-F441 HydrophobicContact CE1-CE1 4.22Å; Y404-F441 PolarHBondContact OH-O 3.12Å; Y418-F441 WeakPolarHBondContact CA-O 3.38Å; I419-F441 PolarHBondContact N-O 3.34Å; I419-F441 PolarHBondContact O-N 3.08Å; I439-F441 HydrophobicContact CG2-CB 4.16Å; F441-I452 HydrophobicContact CD2-CG2 4.47Å; F441-I452 HydrophobicContact CE2-CG2 3.99Å; F441-H453 WeakPolarHBondContact CA-O 2.98Å; F441-H453 WeakPolarHBondContact CD2-O 3.18Å; F441-V454 HydrophobicContact CD2-CG2 3.91Å; F441-V454 HydrophobicContact CE2-CG2 4.17Å; F441-L482 HydrophobicContact CB-CD2 4.18Å; F441-L482 HydrophobicContact CD1-CB 3.67Å; F441-L482 HydrophobicContact CD2-CB 4.19Å; F441-L482 HydrophobicContact CD2-CD2 4.45Å; F441-L482 HydrophobicContact CE1-CB 3.62Å; F441-L482 HydrophobicContact CE2-CB 4.16Å; F441-L482 HydrophobicContact CG-CB 3.96Å; F441-L482 HydrophobicContact CG-CD2 4.14Å; F441-L482 HydrophobicContact CZ-CB 3.87Å; F441-V492 HydrophobicContact CE2-CG1 3.92Å; F441-V492 HydrophobicContact CZ-CG1 4.19Å |
| 442 | G | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.9 | 179.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y404 I452 H453 | Y404-G442 WeakPolarHBondContact OH-CA 3.12Å; G442-I452 CarbonylContact O-C 3.55Å; G442-I452 WeakPolarHBondContact O-CA 3.48Å; G442-H453 PolarHBondContact N-O 3.39Å; G442-H453 PolarHBondContact O-N 3.42Å |
| 443 | P | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141.6 | 179.2 | 29.7 | -35.2 | 0 | 0 | 0 | 112.2 | V406 A417 Y418 K451 F471 Y480 | V406-P443 HydrophobicContact CG1-CG 4.45Å; V406-P443 HydrophobicContact CG2-CG 4.36Å; A417-P443 CarbonylContact C-O 3.57Å; A417-P443 HydrophobicContact CB-CG 3.99Å; A417-P443 PolarHBondContact N-O 3.15Å; Y418-P443 PolarHBondContact N-O 3.24Å; P443-K451 WeakPolarHBondContact CA-O 3.3Å; P443-F471 HydrophobicContact CB-CE2 3.67Å; P443-F471 HydrophobicContact CB-CZ 4.11Å; P443-Y480 HydrophobicContact CB-CE1 4.17Å; P443-Y480 HydrophobicContact CG-CD2 4.37Å; P443-Y480 HydrophobicContact CG-CE1 4.12Å; P443-Y480 HydrophobicContact CG-CE2 3.72Å |
| 444 | D | 95.5 | Very high | 94.9 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.2 | 164.5 | -170.1 | 22.3 | 0 | 0 | 0 | 109.4 | G416 Y418 K451 H453 | G416-D444 WeakPolarHBondContact CA-OD1 3.38Å; G416-D444 PolarHBondContact N-OD1 3.06Å; Y418-D444 HydrophobicContact CD1-CB 4.24Å; Y418-D444 HydrophobicContact CE1-CB 4.42Å; D444-K451 PolarHBondContact N-O 3.37Å; D444-K451 PolarHBondContact O-N 2.88Å; D444-H453 VanDerWaalsContact CB-CD2 3.46Å; D444-H453 WeakPolarHBondContact CB-CD2 3.11Å; D444-H453 WeakPolarHBondContact CB-NE2 3.17Å; D444-H453 IonicContact OD2-NE2 2.72Å; D444-H453 PolarHBondContact OD2-NE2 3.1Å |
| 445 | I | 94.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.2 | -175.6 | -63.5 | 165.7 | 0 | 0 | 0 | 106.5 | I412 C414 G415 R450 F471 | I412-I445 HydrophobicContact CG2-CB 4.32Å; I412-I445 HydrophobicContact CG2-CD1 3.39Å; I412-I445 HydrophobicContact CG2-CG1 4.46Å; I412-I445 HydrophobicContact CG2-CG2 4.3Å; C414-I445 CarbonylContact C-O 3.51Å; C414-I445 WeakPolarHBondContact CA-O 3.45Å; G415-I445 PolarHBondContact N-O 2.06Å; G415-I445 PolarHBondContact O-N 3.47Å; I445-R450 HydrophobicContact CG2-CG 4.27Å; I445-F471 HydrophobicContact CD1-CE1 4.02Å; I445-F471 HydrophobicContact CD1-CZ 3.59Å; I445-F471 HydrophobicContact CG1-CE1 3.85Å; I445-F471 HydrophobicContact CG1-CE2 4.07Å; I445-F471 HydrophobicContact CG1-CZ 3.27Å |
| 446 | C | 93.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 97.9 | 164.1 | -158.2 | 0 | 0 | 0 | 0 | 111.1 | C414 Y448 E449 | C414-C446 HydrophobicContact CB-CB 3.96Å; C414-C446 WeakPolarHBondContact CB-SG 3.36Å; C414-C446 WeakPolarHBondContact SG-CB 3.35Å; C414-C446 CovalentContact SG-SG 2.06Å; C414-C446 PolarHBondContact SG-SG 3.3Å; C446-Y448 PolarHBondContact O-N 2.71Å; C446-E449 PolarHBondContact N-O 2.92Å; C446-E449 PolarHBondContact O-N 2.89Å; C446-E449 VanDerWaalsContact O-N 3.09Å |
| 447 | G | 89.2 | Confident | 94.8 | Very high | 39 Ų | 39 | 42 Ų | 42 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -114.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E413 R450 | E413-G447 PolarHBondContact O-N 2.97Å; G447-R450 PolarHBondContact O-NE 3.32Å |
| 448 | Y | 86.9 | Confident | 94.6 | Very high | 232 Ų | 232 | 42.4 Ų | 42.4 | 91% | 0.91 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -21.2 | 176.9 | -64.8 | -71.6 | 0 | 0 | 0 | 112.8 | C446 R450 | C446-Y448 PolarHBondContact O-N 2.71Å; Y448-R450 PolarHBondContact O-N 2.95Å |
| 449 | E | 88.9 | Confident | 94.1 | Very high | 139 Ų | 139 | 47.8 Ų | 47.8 | 65% | 0.65 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 109.1 | 175.8 | -62.9 | -170.6 | 166.1 | 0 | 0 | 108.6 | C446 | C446-E449 PolarHBondContact N-O 2.92Å; C446-E449 PolarHBondContact O-N 2.89Å; C446-E449 VanDerWaalsContact O-N 3.09Å |
| 450 | R | 90.8 | Very high | 93.6 | Very high | 119 Ų | 119 | 51.8 Ų | 51.8 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 111.3 | -178.8 | -56.4 | -176.6 | -176.1 | 179.8 | -4.6 | 108.1 | I445 G447 Y448 F471 | I445-R450 HydrophobicContact CG2-CG 4.27Å; G447-R450 PolarHBondContact O-NE 3.32Å; Y448-R450 PolarHBondContact O-N 2.95Å; R450-F471 HydrophobicContact CB-CD1 3.7Å; R450-F471 HydrophobicContact CB-CD2 4.18Å; R450-F471 HydrophobicContact CB-CE1 3.98Å; R450-F471 HydrophobicContact CB-CE2 4.44Å; R450-F471 HydrophobicContact CB-CG 3.86Å; R450-F471 HydrophobicContact CB-CZ 4.38Å |
| 451 | K | 93.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 58 Ų | 58 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157.4 | -171.2 | -56.7 | -168.6 | -169.8 | -155.4 | 0 | 110.3 | P443 D444 E468 F471 | P443-K451 WeakPolarHBondContact CA-O 3.3Å; D444-K451 PolarHBondContact N-O 3.37Å; D444-K451 PolarHBondContact O-N 2.88Å; K451-E468 WeakPolarHBondContact CE-OE1 3.5Å; K451-E468 IonicContact NZ-OE1 3.2Å; K451-E468 PolarHBondContact NZ-OE1 3.35Å; K451-F471 WeakPolarHBondContact O-CE2 3.42Å |
| 452 | I | 96 | Very high | 93.1 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 112.6 | 165.8 | -62.6 | 166.6 | 0 | 0 | 0 | 105.7 | F441 G442 L469 P470 F471 Y480 I494 | F441-I452 HydrophobicContact CD2-CG2 4.47Å; F441-I452 HydrophobicContact CE2-CG2 3.99Å; G442-I452 CarbonylContact O-C 3.55Å; G442-I452 WeakPolarHBondContact O-CA 3.48Å; I452-L469 HydrophobicContact CB-CB 4.16Å; I452-L469 HydrophobicContact CB-CD1 3.93Å; I452-L469 HydrophobicContact CD1-CB 4.42Å; I452-L469 HydrophobicContact CG2-CD1 3.86Å; I452-P470 VanDerWaalsContact CD1-O 3.29Å; I452-P470 WeakPolarHBondContact CD1-O 3.03Å; I452-F471 HydrophobicContact CD1-CD2 4.46Å; I452-F471 HydrophobicContact CG1-CD2 3.85Å; I452-F471 HydrophobicContact CG1-CE2 4.27Å; I452-Y480 HydrophobicContact CD1-CD1 4.15Å; I452-Y480 HydrophobicContact CD1-CE1 3.69Å; I452-Y480 HydrophobicContact CG1-CE1 4.01Å; I452-Y480 HydrophobicContact CG2-CD1 4.45Å; I452-I494 HydrophobicContact CD1-CD1 3.11Å; I452-I494 HydrophobicContact CD1-CG1 3.9Å |
| 453 | H | 95.9 | Very high | 93 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 13% | 0.125 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 141 | 177.7 | -70.1 | -56.1 | 0 | 0 | 0 | 110.5 | F441 G442 D444 F455 E464 | F441-H453 WeakPolarHBondContact CA-O 2.98Å; F441-H453 WeakPolarHBondContact CD2-O 3.18Å; G442-H453 PolarHBondContact N-O 3.39Å; G442-H453 PolarHBondContact O-N 3.42Å; D444-H453 VanDerWaalsContact CB-CD2 3.46Å; D444-H453 WeakPolarHBondContact CB-CD2 3.11Å; D444-H453 WeakPolarHBondContact CB-NE2 3.17Å; D444-H453 IonicContact OD2-NE2 2.72Å; D444-H453 PolarHBondContact OD2-NE2 3.1Å; H453-F455 HydrophobicContact CB-CD2 3.83Å; H453-F455 HydrophobicContact CB-CE2 3.69Å; H453-F455 AromaticContact CG-CE2 3.56Å; H453-F455 AromaticContact ND1-CE2 3.4Å; H453-F455 WeakPolarHBondContact ND1-CE2 3.44Å; H453-F455 AromaticContact ND1-CZ 3.97Å; H453-E464 IonicContact CE1-OE1 3.72Å; H453-E464 PolarHBondContact CE1-OE1 3.05Å; H453-E464 IonicContact ND1-OE1 2.96Å; H453-E464 PolarHBondContact ND1-OE1 2.86Å |
| 454 | V | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 90.1 | 166.7 | -166.5 | 0 | 0 | 0 | 0 | 106.7 | M440 F441 F456 I465 L469 L482 V492 W508 | M440-V454 WeakPolarHBondContact O-CA 3.42Å; F441-V454 HydrophobicContact CD2-CG2 3.91Å; F441-V454 HydrophobicContact CE2-CG2 4.17Å; V454-F456 HydrophobicContact CG1-CE2 4.21Å; V454-F456 HydrophobicContact CG1-CZ 4.47Å; V454-I465 HydrophobicContact CB-CB 4.3Å; V454-I465 HydrophobicContact CB-CG2 4.25Å; V454-I465 HydrophobicContact CG2-CG2 4.43Å; V454-I465 PolarHBondContact O-N 2.98Å; V454-L469 HydrophobicContact CG2-CD1 3.79Å; V454-L482 HydrophobicContact CG1-CD1 4.03Å; V454-L482 HydrophobicContact CG1-CD2 4.14Å; V454-V492 HydrophobicContact CG2-CG2 4.31Å; V454-W508 HydrophobicContact CB-CZ2 3.87Å; V454-W508 HydrophobicContact CG1-CH2 4.25Å; V454-W508 HydrophobicContact CG1-CZ2 3.54Å; V454-W508 PolarHBondContact O-NE1 2.88Å |
| 455 | F | 96.9 | Very high | 92.8 | Very high | 33 Ų | 33 | 66.2 Ų | 66.2 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.9 | 175.3 | -68.3 | -92.2 | 0 | 0 | 0 | 111.3 | Y437 I439 M440 H453 N462 L463 E464 | Y437-F455 HydrophobicContact CE2-CB 4.04Å; I439-F455 VanDerWaalsContact CA-O 3.3Å; I439-F455 WeakPolarHBondContact CA-O 3.39Å; M440-F455 HydrophobicContact CB-CB 4.12Å; M440-F455 HydrophobicContact CB-CD2 4.33Å; M440-F455 HydrophobicContact CG-CD2 4.42Å; M440-F455 PolarHBondContact N-O 2.75Å; M440-F455 PolarHBondContact O-N 3.39Å; M440-F455 HydrophobicContact SD-CD2 3.75Å; M440-F455 HydrophobicContact SD-CE2 4.12Å; H453-F455 HydrophobicContact CB-CD2 3.83Å; H453-F455 HydrophobicContact CB-CE2 3.69Å; H453-F455 AromaticContact CG-CE2 3.56Å; H453-F455 AromaticContact ND1-CE2 3.4Å; H453-F455 WeakPolarHBondContact ND1-CE2 3.44Å; H453-F455 AromaticContact ND1-CZ 3.97Å; F455-N462 HydrophobicContact CD1-CB 4.26Å; F455-L463 CarbonylContact C-O 3.52Å; F455-L463 VanDerWaalsContact CA-O 3.24Å; F455-L463 WeakPolarHBondContact CA-O 3.49Å; F455-E464 HydrophobicContact CD1-CB 3.76Å; F455-E464 HydrophobicContact CD1-CG 4.09Å; F455-E464 HydrophobicContact CE1-CB 3.39Å; F455-E464 HydrophobicContact CE1-CG 3.63Å; F455-E464 HydrophobicContact CE2-CG 4.09Å; F455-E464 HydrophobicContact CZ-CB 3.92Å; F455-E464 HydrophobicContact CZ-CG 3.6Å |
| 456 | F | 96.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.6 | 166.4 | -71.1 | -70.6 | 0 | 0 | 0 | 110.9 | Y438 I439 V454 Y458 L463 I484 L504 W508 F510 A614 | Y438-F456 WeakPolarHBondContact O-CA 3.38Å; I439-F456 HydrophobicContact CD1-CD1 4.5Å; I439-F456 HydrophobicContact CD1-CE1 3.92Å; I439-F456 HydrophobicContact CG1-CD1 3.88Å; I439-F456 HydrophobicContact CG1-CE1 3.76Å; I439-F456 HydrophobicContact CG2-CE1 4.35Å; V454-F456 HydrophobicContact CG1-CE2 4.21Å; V454-F456 HydrophobicContact CG1-CZ 4.47Å; F456-Y458 PolarHBondContact O-N 3.09Å; F456-L463 PolarHBondContact N-O 2.52Å; F456-L463 PolarHBondContact O-N 2.89Å; F456-I484 HydrophobicContact CE1-CD1 3.41Å; F456-I484 VanDerWaalsContact CE1-CD1 3.41Å; F456-I484 HydrophobicContact CE1-CG1 4.45Å; F456-I484 HydrophobicContact CZ-CD1 3.58Å; F456-I484 HydrophobicContact CZ-CG1 4.15Å; F456-L504 HydrophobicContact CE2-CD2 4.16Å; F456-L504 HydrophobicContact CZ-CD2 4.32Å; F456-W508 AromaticContact CD2-CD1 3.98Å; F456-W508 AromaticContact CD2-CD2 3.86Å; F456-W508 HydrophobicContact CD2-CD2 3.86Å; F456-W508 AromaticContact CD2-CE2 3.56Å; F456-W508 HydrophobicContact CD2-CE3 4.44Å; F456-W508 HydrophobicContact CD2-CG 4.18Å; F456-W508 AromaticContact CD2-CZ2 3.98Å; F456-W508 HydrophobicContact CD2-CZ2 3.98Å; F456-W508 AromaticContact CD2-NE1 3.57Å; F456-W508 AromaticContact CE2-CD2 3.96Å; F456-W508 HydrophobicContact CE2-CD2 3.96Å; F456-W508 AromaticContact CE2-CE2 3.56Å; F456-W508 HydrophobicContact CE2-CE3 4.17Å; F456-W508 AromaticContact CE2-CH2 3.77Å; F456-W508 HydrophobicContact CE2-CH2 3.77Å; F456-W508 AromaticContact CE2-CZ2 3.49Å; F456-W508 HydrophobicContact CE2-CZ2 3.49Å; F456-W508 VanDerWaalsContact CE2-CZ2 3.49Å; F456-W508 HydrophobicContact CE2-CZ3 4.08Å; F456-F510 HydrophobicContact CB-CE1 3.67Å; F456-F510 HydrophobicContact CB-CZ 3.87Å; F456-F510 HydrophobicContact CD2-CE1 4.24Å; F456-F510 HydrophobicContact CD2-CE2 4.48Å; F456-F510 AromaticContact CD2-CZ 3.53Å; F456-F510 HydrophobicContact CD2-CZ 3.53Å; F456-F510 HydrophobicContact CE2-CZ 4.24Å; F456-F510 HydrophobicContact CG-CE1 4.09Å; F456-F510 AromaticContact CG-CZ 3.79Å; F456-F510 HydrophobicContact CG-CZ 3.79Å; F456-A614 HydrophobicContact CD1-CB 3.64Å; F456-A614 HydrophobicContact CE1-CB 3.61Å; F456-A614 HydrophobicContact CG-CB 4.16Å; F456-A614 HydrophobicContact CZ-CB 4.06Å |
| 457 | G | 94.2 | Very high | 92.4 | Very high | 16 Ų | 16 | 75.5 Ų | 75.5 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 108.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y438 | Y438-G457 PolarHBondContact O-N 3.34Å |
| 458 | Y | 91.6 | Very high | 92.3 | Very high | 28 Ų | 28 | 80.1 Ų | 80.1 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 120.6 | -178.1 | -172.7 | -104.8 | 0 | 0 | 0 | 111.1 | F456 G460 K461 L463 F510 L511 D610 L613 | F456-Y458 PolarHBondContact O-N 3.09Å; Y458-G460 VanDerWaalsContact C-N 3.27Å; Y458-G460 PolarHBondContact O-N 2.75Å; Y458-K461 PolarHBondContact N-O 2.87Å; Y458-K461 PolarHBondContact O-N 2.89Å; Y458-L463 HydrophobicContact CD1-CD1 4.3Å; Y458-F510 HydrophobicContact CD1-CB 4.41Å; Y458-F510 HydrophobicContact CD1-CD1 4Å; Y458-F510 HydrophobicContact CD2-CD1 4.08Å; Y458-F510 HydrophobicContact CE1-CB 4.34Å; Y458-F510 VanDerWaalsContact CE1-O 3.28Å; Y458-F510 WeakPolarHBondContact CE1-O 3.33Å; Y458-F510 AromaticContact CG-CD1 3.74Å; Y458-F510 HydrophobicContact CG-CD1 3.74Å; Y458-F510 HydrophobicContact CG-CE1 4.36Å; Y458-L511 HydrophobicContact CE1-CD2 4.37Å; Y458-D610 WeakPolarHBondContact CE2-OD2 3.38Å; Y458-D610 PolarHBondContact OH-OD2 2.97Å; Y458-L613 HydrophobicContact CE2-CD2 4.01Å |
| 459 | K | 87.6 | Confident | 92.6 | Very high | 163 Ų | 163 | 69.7 Ų | 69.7 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 44.5 | 178.9 | -64.5 | 179 | 175.5 | 160.9 | 0 | 113.5 | K461 | K459-K461 VanDerWaalsContact C-N 3.29Å; K459-K461 PolarHBondContact O-N 3.26Å |
| 460 | G | 86.6 | Confident | 92.5 | Very high | 87 Ų | 87 | 66.3 Ų | 66.3 | 90% | 0.897 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 6.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y458 | Y458-G460 VanDerWaalsContact C-N 3.27Å; Y458-G460 PolarHBondContact O-N 2.75Å |
| 461 | K | 92 | Very high | 92.2 | Very high | 148 Ų | 148 | 62.4 Ų | 62.4 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.5 | 174.6 | -62.8 | -177.8 | -179 | 179.6 | 0 | 110.4 | Y458 K459 L463 | Y458-K461 PolarHBondContact N-O 2.87Å; Y458-K461 PolarHBondContact O-N 2.89Å; K459-K461 VanDerWaalsContact C-N 3.29Å; K459-K461 PolarHBondContact O-N 3.26Å; K461-L463 HydrophobicContact CB-CD2 4.29Å |
| 462 | N | 93.8 | Very high | 91.6 | Very high | 89 Ų | 89 | 64.3 Ų | 64.3 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 112.6 | 171.4 | -62.4 | -21.7 | 0 | 0 | 0 | 108.1 | Y437 F455 | Y437-N462 VanDerWaalsContact OH-CG 3.28Å; Y437-N462 PolarHBondContact OH-ND2 2.88Å; Y437-N462 VanDerWaalsContact OH-ND2 3.09Å; F455-N462 HydrophobicContact CD1-CB 4.26Å |
| 463 | L | 94.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 66.2 Ų | 66.2 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.5 | -176.9 | -58.2 | 177.2 | 0 | 0 | 0 | 109.4 | F455 F456 Y458 K461 W508 F510 | F455-L463 CarbonylContact C-O 3.52Å; F455-L463 VanDerWaalsContact CA-O 3.24Å; F455-L463 WeakPolarHBondContact CA-O 3.49Å; F456-L463 PolarHBondContact N-O 2.52Å; F456-L463 PolarHBondContact O-N 2.89Å; Y458-L463 HydrophobicContact CD1-CD1 4.3Å; K461-L463 HydrophobicContact CB-CD2 4.29Å; L463-W508 VanDerWaalsContact O-CD1 3.24Å; L463-W508 PolarHBondContact O-NE1 3.02Å; L463-F510 HydrophobicContact CD1-CB 4.44Å; L463-F510 HydrophobicContact CD1-CD1 3.63Å; L463-F510 HydrophobicContact CD1-CE1 4.15Å; L463-F510 HydrophobicContact CD1-CG 4.17Å |
| 464 | E | 94.8 | Very high | 90.4 | Very high | 81 Ų | 81 | 67.4 Ų | 67.4 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 155.7 | 174.4 | -157.2 | 170.4 | -173.8 | 0 | 0 | 111.6 | H453 F455 W508 | H453-E464 IonicContact CE1-OE1 3.72Å; H453-E464 PolarHBondContact CE1-OE1 3.05Å; H453-E464 IonicContact ND1-OE1 2.96Å; H453-E464 PolarHBondContact ND1-OE1 2.86Å; F455-E464 HydrophobicContact CD1-CB 3.76Å; F455-E464 HydrophobicContact CD1-CG 4.09Å; F455-E464 HydrophobicContact CE1-CB 3.39Å; F455-E464 HydrophobicContact CE1-CG 3.63Å; F455-E464 HydrophobicContact CE2-CG 4.09Å; F455-E464 HydrophobicContact CZ-CB 3.92Å; F455-E464 HydrophobicContact CZ-CG 3.6Å; E464-W508 VanDerWaalsContact C-NE1 3.33Å |
| 465 | I | 94.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 8% | 0.077 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 131.1 | 174.4 | -168.5 | 170.3 | 0 | 0 | 0 | 111.2 | V454 R467 L469 Y490 W508 | V454-I465 HydrophobicContact CB-CB 4.3Å; V454-I465 HydrophobicContact CB-CG2 4.25Å; V454-I465 HydrophobicContact CG2-CG2 4.43Å; V454-I465 PolarHBondContact O-N 2.98Å; I465-R467 PolarHBondContact O-N 3.27Å; I465-L469 HydrophobicContact CD1-CD2 4.49Å; I465-Y490 HydrophobicContact CD1-CE2 4.16Å; I465-W508 VanDerWaalsContact CA-NE1 3.32Å; I465-W508 HydrophobicContact CB-CH2 4.45Å; I465-W508 HydrophobicContact CB-CZ2 3.56Å; I465-W508 HydrophobicContact CD1-CH2 3.79Å; I465-W508 HydrophobicContact CD1-CZ2 3.69Å; I465-W508 HydrophobicContact CG1-CH2 4.02Å; I465-W508 HydrophobicContact CG1-CZ2 3.62Å |
| 466 | D | 89.5 | Confident | 90.1 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 40% | 0.401 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -64.6 | -13.1 | -172 | -86.7 | 23.5 | 0 | 0 | 0 | 114.2 | G507 R509 | D466-G507 WeakPolarHBondContact CB-O 3.3Å; D466-G507 PolarHBondContact N-O 2.8Å; D466-R509 IonicContact OD2-CZ 3.34Å; D466-R509 IonicContact OD2-NE 3.93Å; D466-R509 PolarHBondContact OD2-NE 2.96Å; D466-R509 IonicContact OD2-NH2 3.81Å; D466-R509 PolarHBondContact OD2-NH2 2.75Å |
| 467 | R | 88.7 | Confident | 90.1 | Very high | 187 Ų | 187 | 69.3 Ų | 69.3 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -133.5 | 149 | -176.5 | -66.7 | -175.2 | -171 | -157.3 | 2.6 | 110.6 | I465 R500 | I465-R467 PolarHBondContact O-N 3.27Å; R467-R500 PolarHBondContact O-NH1 3.35Å |
| 468 | E | 88.2 | Confident | 90.2 | Very high | 136 Ų | 136 | 69.2 Ų | 69.2 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 145.3 | 177.8 | -61.2 | -171.2 | 155 | 0 | 0 | 112.4 | K451 R500 | K451-E468 WeakPolarHBondContact CE-OE1 3.5Å; K451-E468 IonicContact NZ-OE1 3.2Å; K451-E468 PolarHBondContact NZ-OE1 3.35Å; E468-R500 PolarHBondContact O-NH1 3.47Å; E468-R500 PolarHBondContact O-NH2 3.12Å |
| 469 | L | 91.7 | Very high | 90.5 | Very high | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 147.9 | 177.5 | -67.2 | 172.4 | 0 | 0 | 0 | 110.3 | I452 V454 I465 V492 V499 R500 | I452-L469 HydrophobicContact CB-CB 4.16Å; I452-L469 HydrophobicContact CB-CD1 3.93Å; I452-L469 HydrophobicContact CD1-CB 4.42Å; I452-L469 HydrophobicContact CG2-CD1 3.86Å; V454-L469 HydrophobicContact CG2-CD1 3.79Å; I465-L469 HydrophobicContact CD1-CD2 4.49Å; L469-V492 HydrophobicContact CD1-CB 4.5Å; L469-V492 HydrophobicContact CD1-CG1 3.94Å; L469-V492 HydrophobicContact CD1-CG2 4.48Å; L469-V499 HydrophobicContact CD2-CG2 4.21Å; L469-R500 HydrophobicContact CD2-CB 3.51Å; L469-R500 HydrophobicContact CD2-CG 4.29Å |
| 470 | P | 88 | Confident | 91 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 144.7 | 173.9 | 28.4 | -35.1 | 0 | 0 | 0 | 110.4 | I452 I494 V499 | I452-P470 VanDerWaalsContact CD1-O 3.29Å; I452-P470 WeakPolarHBondContact CD1-O 3.03Å; P470-I494 WeakPolarHBondContact O-CD1 3.5Å; P470-V499 HydrophobicContact CG-CB 3.59Å; P470-V499 HydrophobicContact CG-CG1 3.62Å; P470-V499 HydrophobicContact CG-CG2 4.47Å |
| 471 | F | 84.2 | Confident | 91.5 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | trans | -131 | 125.1 | -171.7 | -171.1 | -79.2 | 0 | 0 | 0 | 110.5 | P443 I445 R450 K451 I452 A473 | P443-F471 HydrophobicContact CB-CE2 3.67Å; P443-F471 HydrophobicContact CB-CZ 4.11Å; I445-F471 HydrophobicContact CD1-CE1 4.02Å; I445-F471 HydrophobicContact CD1-CZ 3.59Å; I445-F471 HydrophobicContact CG1-CE1 3.85Å; I445-F471 HydrophobicContact CG1-CE2 4.07Å; I445-F471 HydrophobicContact CG1-CZ 3.27Å; R450-F471 HydrophobicContact CB-CD1 3.7Å; R450-F471 HydrophobicContact CB-CD2 4.18Å; R450-F471 HydrophobicContact CB-CE1 3.98Å; R450-F471 HydrophobicContact CB-CE2 4.44Å; R450-F471 HydrophobicContact CB-CG 3.86Å; R450-F471 HydrophobicContact CB-CZ 4.38Å; K451-F471 WeakPolarHBondContact O-CE2 3.42Å; I452-F471 HydrophobicContact CD1-CD2 4.46Å; I452-F471 HydrophobicContact CG1-CD2 3.85Å; I452-F471 HydrophobicContact CG1-CE2 4.27Å; F471-A473 HydrophobicContact CD1-CB 3.84Å; F471-A473 HydrophobicContact CE1-CB 3.62Å | ||
| 472 | E | 81.6 | Confident | 91.8 | Very high | 111 Ų | 111 | 49.3 Ų | 49.3 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | trans | -98 | 124.1 | 170.9 | -64 | -63.4 | 166.1 | 0 | 0 | 109.3 | ||||
| 473 | A | 76.6 | Confident | 92 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | trans | -114.8 | 39 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F471 | F471-A473 HydrophobicContact CD1-CB 3.84Å; F471-A473 HydrophobicContact CE1-CB 3.62Å | ||
| 474 | D | 90.3 | Very high | 92.1 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -93.5 | -175 | 176.4 | 74.5 | 43.5 | 0 | 0 | 0 | 111.8 | F476 H478 | D474-F476 HydrophobicContact CB-CD2 4.13Å; D474-F476 VanDerWaalsContact CG-CD2 3.41Å; D474-F476 WeakPolarHBondContact OD1-CA 3.37Å; D474-F476 VanDerWaalsContact OD1-CB 3.25Å; D474-F476 WeakPolarHBondContact OD1-CB 3.49Å; D474-F476 VanDerWaalsContact OD1-CD2 3.27Å; D474-F476 WeakPolarHBondContact OD1-CD2 3.35Å; D474-F476 PolarHBondContact OD1-N 3.05Å; D474-F476 WeakPolarHBondContact OD2-CD2 3.39Å; D474-H478 VanDerWaalsContact CG-NE2 3.32Å; D474-H478 IonicContact OD1-CD2 2.77Å; D474-H478 IonicContact OD1-CE1 2.7Å; D474-H478 IonicContact OD1-NE2 3.95Å; D474-H478 PolarHBondContact OD1-NE2 3.39Å; D474-H478 IonicContact OD2-CE1 3.55Å; D474-H478 IonicContact OD2-NE2 3.37Å; D474-H478 PolarHBondContact OD2-NE2 2.82Å |
| 475 | N | 92 | Very high | 92.2 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -102.6 | 8.3 | -176.7 | -59.9 | -23.5 | 0 | 0 | 0 | 112.8 | Y364 H408 N411 | Y364-N475 WeakPolarHBondContact OH-CB 3.42Å; Y364-N475 PolarHBondContact OH-O 2.95Å; H408-N475 PolarHBondContact O-OD1 2.75Å; N411-N475 VanDerWaalsContact OD1-CG 3.29Å; N411-N475 PolarHBondContact OD1-ND2 2.76Å; N411-N475 PolarHBondContact OD1-OD1 2.82Å |
| 476 | F | 94.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -84.3 | 171 | 179.7 | -57.3 | -60.3 | 0 | 0 | 0 | 110.4 | Y364 D474 E662 K663 F666 | Y364-F476 HydrophobicContact CE2-CD1 4.45Å; D474-F476 HydrophobicContact CB-CD2 4.13Å; D474-F476 VanDerWaalsContact CG-CD2 3.41Å; D474-F476 WeakPolarHBondContact OD1-CA 3.37Å; D474-F476 VanDerWaalsContact OD1-CB 3.25Å; D474-F476 WeakPolarHBondContact OD1-CB 3.49Å; D474-F476 VanDerWaalsContact OD1-CD2 3.27Å; D474-F476 WeakPolarHBondContact OD1-CD2 3.35Å; D474-F476 PolarHBondContact OD1-N 3.05Å; D474-F476 WeakPolarHBondContact OD2-CD2 3.39Å; F476-E662 HydrophobicContact CD1-CG 4.26Å; F476-K663 HydrophobicContact CD1-CG 3.98Å; F476-K663 HydrophobicContact CD2-CG 4.31Å; F476-K663 HydrophobicContact CE1-CB 4.31Å; F476-K663 HydrophobicContact CE1-CG 3.74Å; F476-K663 HydrophobicContact CE2-CG 4.11Å; F476-K663 HydrophobicContact CG-CG 4.28Å; F476-K663 HydrophobicContact CZ-CB 4.5Å; F476-K663 HydrophobicContact CZ-CG 3.83Å; F476-F666 HydrophobicContact CE1-CB 3.68Å; F476-F666 AromaticContact CE1-CD1 3.72Å; F476-F666 HydrophobicContact CE1-CD1 3.72Å; F476-F666 HydrophobicContact CE1-CE1 4.47Å; F476-F666 AromaticContact CE1-CG 3.73Å; F476-F666 HydrophobicContact CE1-CG 3.73Å; F476-F666 HydrophobicContact CZ-CB 4.43Å; F476-F666 AromaticContact CZ-CD1 3.66Å; F476-F666 HydrophobicContact CZ-CD1 3.66Å; F476-F666 HydrophobicContact CZ-CE1 4.13Å; F476-F666 HydrophobicContact CZ-CG 4.16Å |
| 477 | T | 96.1 | Very high | 92.3 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.9 | 172.1 | -53.2 | 0 | 0 | 0 | 0 | 108.8 | V406 W655 E662 | V406-T477 WeakPolarHBondContact O-CA 3.43Å; T477-W655 PolarHBondContact O-NE1 3.06Å; T477-E662 PolarHBondContact N-OE2 3.43Å; T477-E662 PolarHBondContact OG1-OE1 3.11Å; T477-E662 PolarHBondContact OG1-OE2 3.04Å |
| 478 | H | 96.7 | Very high | 92.5 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 6% | 0.06 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 149.4 | 170.7 | -67.2 | -70.6 | 0 | 0 | 0 | 110.7 | S405 V406 D474 Y480 D495 | S405-H478 CarbonylContact C-O 3.54Å; S405-H478 VanDerWaalsContact CA-O 3.22Å; S405-H478 WeakPolarHBondContact CA-O 3.32Å; V406-H478 PolarHBondContact N-O 3.22Å; V406-H478 PolarHBondContact O-N 3.03Å; D474-H478 VanDerWaalsContact CG-NE2 3.32Å; D474-H478 IonicContact OD1-CD2 2.77Å; D474-H478 IonicContact OD1-CE1 2.7Å; D474-H478 IonicContact OD1-NE2 3.95Å; D474-H478 PolarHBondContact OD1-NE2 3.39Å; D474-H478 IonicContact OD2-CE1 3.55Å; D474-H478 IonicContact OD2-NE2 3.37Å; D474-H478 PolarHBondContact OD2-NE2 2.82Å; H478-Y480 HydrophobicContact CB-CE2 3.88Å; H478-D495 VanDerWaalsContact CA-OD1 3.23Å; H478-D495 WeakPolarHBondContact CA-OD1 3.46Å; H478-D495 IonicContact CE1-OD2 3.13Å; H478-D495 IonicContact CG-OD1 2.65Å; H478-D495 IonicContact CG-OD2 3.36Å; H478-D495 IonicContact ND1-OD1 2.95Å; H478-D495 IonicContact ND1-OD2 3.54Å; H478-D495 PolarHBondContact ND1-OD2 3.46Å |
| 479 | V | 97.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.4 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | Q403 Y404 I494 D495 A651 W655 | Q403-V479 HydrophobicContact CG-CG1 3.67Å; Y404-V479 WeakPolarHBondContact O-CA 3.33Å; V479-I494 CarbonylContact O-C 3.51Å; V479-I494 WeakPolarHBondContact O-CA 3.44Å; V479-D495 PolarHBondContact N-OD1 3.46Å; V479-D495 PolarHBondContact O-N 2.97Å; V479-A651 HydrophobicContact CG1-CB 4.38Å; V479-W655 HydrophobicContact CG2-CB 3.35Å; V479-W655 HydrophobicContact CG2-CD2 3.79Å; V479-W655 HydrophobicContact CG2-CE3 4.26Å; V479-W655 HydrophobicContact CG2-CG 3.37Å |
| 480 | Y | 98.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.2 | 177 | -61.3 | -90 | 0 | 0 | 0 | 109.3 | Q403 Y404 V406 P443 I452 H478 I494 | Q403-Y480 WeakPolarHBondContact CA-O 3.48Å; Y404-Y480 PolarHBondContact N-O 3.39Å; Y404-Y480 VanDerWaalsContact N-O 3.11Å; Y404-Y480 PolarHBondContact O-N 3.32Å; V406-Y480 HydrophobicContact CB-CD2 4.37Å; V406-Y480 HydrophobicContact CB-CE2 3.95Å; V406-Y480 HydrophobicContact CG2-CD2 4.04Å; V406-Y480 HydrophobicContact CG2-CE2 4.05Å; P443-Y480 HydrophobicContact CB-CE1 4.17Å; P443-Y480 HydrophobicContact CG-CD2 4.37Å; P443-Y480 HydrophobicContact CG-CE1 4.12Å; P443-Y480 HydrophobicContact CG-CE2 3.72Å; I452-Y480 HydrophobicContact CD1-CD1 4.15Å; I452-Y480 HydrophobicContact CD1-CE1 3.69Å; I452-Y480 HydrophobicContact CG1-CE1 4.01Å; I452-Y480 HydrophobicContact CG2-CD1 4.45Å; H478-Y480 HydrophobicContact CB-CE2 3.88Å; Y480-I494 HydrophobicContact CD1-CG1 4.36Å; Y480-I494 HydrophobicContact CE1-CG2 4.4Å |
| 481 | T | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.4 | -179.6 | -46.2 | 0 | 0 | 0 | 0 | 110.7 | V401 L402 Q403 M483 V492 L493 | V401-T481 HydrophobicContact CG1-CG2 3.99Å; L402-T481 CarbonylContact O-C 3.53Å; L402-T481 WeakPolarHBondContact O-CA 3.2Å; Q403-T481 HydrophobicContact CB-CG2 4.09Å; Q403-T481 HydrophobicContact CG-CG2 4.38Å; Q403-T481 WeakPolarHBondContact CG-OG1 3.49Å; Q403-T481 PolarHBondContact OE1-OG1 2.97Å; T481-M483 HydrophobicContact CG2-CE 3.71Å; T481-M483 HydrophobicContact CG2-CG 4.14Å; T481-V492 WeakPolarHBondContact O-CA 3.43Å; T481-L493 HydrophobicContact CG2-CD1 4.47Å; T481-L493 PolarHBondContact N-O 2.73Å; T481-L493 PolarHBondContact O-N 2.85Å |
| 482 | L | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126 | 171.3 | 175.5 | 65.9 | 0 | 0 | 0 | 108.9 | V401 L402 I439 F441 V454 I484 V492 | V401-L482 WeakPolarHBondContact CA-O 3.48Å; L402-L482 PolarHBondContact N-O 2.96Å; L402-L482 PolarHBondContact O-N 3.32Å; I439-L482 HydrophobicContact CG2-CD2 3.65Å; F441-L482 HydrophobicContact CB-CD2 4.18Å; F441-L482 HydrophobicContact CD1-CB 3.67Å; F441-L482 HydrophobicContact CD2-CB 4.19Å; F441-L482 HydrophobicContact CD2-CD2 4.45Å; F441-L482 HydrophobicContact CE1-CB 3.62Å; F441-L482 HydrophobicContact CE2-CB 4.16Å; F441-L482 HydrophobicContact CG-CB 3.96Å; F441-L482 HydrophobicContact CG-CD2 4.14Å; F441-L482 HydrophobicContact CZ-CB 3.87Å; V454-L482 HydrophobicContact CG1-CD1 4.03Å; V454-L482 HydrophobicContact CG1-CD2 4.14Å; L482-I484 HydrophobicContact CD2-CD1 4.46Å; L482-I484 HydrophobicContact CG-CG1 4.41Å; L482-V492 HydrophobicContact CD1-CG2 3.95Å |
| 483 | M | 97.9 | Very high | 95 | Very high | 11 Ų | 11 | 29 Ų | 29 | 5% | 0.054 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.6 | 175.6 | -56.5 | 178.5 | 178.1 | 0 | 0 | 109.8 | F400 V401 T481 F485 Y490 K491 L493 P644 | F400-M483 CarbonylContact O-C 3.57Å; F400-M483 WeakPolarHBondContact O-CA 3.38Å; V401-M483 HydrophobicContact CG1-CE 4.37Å; V401-M483 HydrophobicContact CG1-CG 4.08Å; V401-M483 HydrophobicContact CG2-CG 4.14Å; T481-M483 HydrophobicContact CG2-CE 3.71Å; T481-M483 HydrophobicContact CG2-CG 4.14Å; M483-F485 HydrophobicContact CB-CE2 3.86Å; M483-F485 HydrophobicContact CB-CZ 3.95Å; M483-F485 HydrophobicContact SD-CZ 4.09Å; M483-Y490 CarbonylContact O-C 3.6Å; M483-Y490 WeakPolarHBondContact O-CA 3.25Å; M483-Y490 WeakPolarHBondContact O-CB 3.47Å; M483-K491 HydrophobicContact CB-CB 4.27Å; M483-K491 PolarHBondContact N-O 2.79Å; M483-K491 PolarHBondContact O-N 3.33Å; M483-L493 HydrophobicContact CE-CD1 4.03Å; M483-L493 HydrophobicContact CE-CD2 4.47Å; M483-L493 HydrophobicContact CG-CD1 4.3Å; M483-L493 HydrophobicContact SD-CD1 3.98Å; M483-P644 HydrophobicContact CE-CB 4.01Å; M483-P644 HydrophobicContact SD-CB 3.97Å; M483-P644 HydrophobicContact SD-CG 4.37Å |
| 484 | I | 97 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.2 | 175 | -54.3 | 165 | 0 | 0 | 0 | 107 | T399 F400 I439 F456 L482 L504 | T399-I484 CarbonylContact C-O 3.58Å; T399-I484 VanDerWaalsContact CA-O 3.3Å; T399-I484 WeakPolarHBondContact CA-O 3.33Å; T399-I484 WeakPolarHBondContact CG2-O 3.23Å; F400-I484 HydrophobicContact CB-CB 4.31Å; F400-I484 HydrophobicContact CD1-CD1 3.95Å; F400-I484 HydrophobicContact CD1-CG1 4.4Å; F400-I484 PolarHBondContact N-O 2.95Å; F400-I484 PolarHBondContact O-N 2.94Å; I439-I484 HydrophobicContact CD1-CD1 3.73Å; F456-I484 HydrophobicContact CE1-CD1 3.41Å; F456-I484 VanDerWaalsContact CE1-CD1 3.41Å; F456-I484 HydrophobicContact CE1-CG1 4.45Å; F456-I484 HydrophobicContact CZ-CD1 3.58Å; F456-I484 HydrophobicContact CZ-CG1 4.15Å; L482-I484 HydrophobicContact CD2-CD1 4.46Å; L482-I484 HydrophobicContact CG-CG1 4.41Å; I484-L504 HydrophobicContact CG2-CD1 4.07Å |
| 485 | F | 95.8 | Very high | 96.2 | Very high | 40 Ų | 40 | 26.5 Ų | 26.5 | 18% | 0.175 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 149.9 | -175.5 | -61.9 | -86.1 | 0 | 0 | 0 | 110.5 | T399 M483 N487 L488 T489 K491 P644 | T399-F485 HydrophobicContact CG2-CD1 3.76Å; T399-F485 HydrophobicContact CG2-CE1 3.91Å; T399-F485 HydrophobicContact CG2-CG 4.44Å; M483-F485 HydrophobicContact CB-CE2 3.86Å; M483-F485 HydrophobicContact CB-CZ 3.95Å; M483-F485 HydrophobicContact SD-CZ 4.09Å; F485-N487 WeakPolarHBondContact CB-OD1 3.24Å; F485-N487 PolarHBondContact O-N 3.22Å; F485-L488 PolarHBondContact O-N 2.99Å; F485-T489 PolarHBondContact N-O 3.12Å; F485-K491 HydrophobicContact CE2-CB 4.22Å; F485-K491 HydrophobicContact CE2-CD 3.93Å; F485-K491 HydrophobicContact CE2-CG 3.83Å; F485-K491 HydrophobicContact CZ-CD 4.07Å; F485-K491 HydrophobicContact CZ-CG 4.47Å; F485-P644 HydrophobicContact CE1-CG 4.1Å |
| 486 | S | 92.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 27.3 Ų | 27.3 | 46% | 0.462 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -15.1 | 179 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | L488 | S486-L488 VanDerWaalsContact C-N 3.29Å; S486-L488 PolarHBondContact O-N 2.99Å |
| 487 | N | 93 | Very high | 96.3 | Very high | 106 Ų | 106 | 29.4 Ų | 29.4 | 57% | 0.567 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 19.7 | 175.3 | 69.7 | -4.6 | 0 | 0 | 0 | 113.7 | F485 T489 | F485-N487 WeakPolarHBondContact CB-OD1 3.24Å; F485-N487 PolarHBondContact O-N 3.22Å; N487-T489 VanDerWaalsContact C-N 3.28Å; N487-T489 PolarHBondContact O-N 3.24Å; N487-T489 WeakPolarHBondContact OD1-CB 3.36Å; N487-T489 WeakPolarHBondContact OD1-CG2 3.4Å; N487-T489 PolarHBondContact OD1-N 2.83Å; N487-T489 PolarHBondContact OD1-OG1 2.86Å |
| 488 | L | 93.8 | Very high | 96.3 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 29.3 | 179.8 | -49.7 | -176.7 | 0 | 0 | 0 | 114.3 | F485 S486 K503 L504 L613 | F485-L488 PolarHBondContact O-N 2.99Å; S486-L488 VanDerWaalsContact C-N 3.29Å; S486-L488 PolarHBondContact O-N 2.99Å; L488-K503 WeakPolarHBondContact O-CA 2.92Å; L488-L504 HydrophobicContact CB-CD1 4.43Å; L488-L504 HydrophobicContact CD2-CD1 4.45Å; L488-L504 PolarHBondContact O-N 3.06Å; L488-L613 HydrophobicContact CD1-CD1 4.42Å; L488-L613 HydrophobicContact CD2-CB 4.09Å |
| 489 | T | 96.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 23% | 0.233 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 160.4 | 170.8 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | F485 N487 G502 K503 | F485-T489 PolarHBondContact N-O 3.12Å; N487-T489 VanDerWaalsContact C-N 3.28Å; N487-T489 PolarHBondContact O-N 3.24Å; N487-T489 WeakPolarHBondContact OD1-CB 3.36Å; N487-T489 WeakPolarHBondContact OD1-CG2 3.4Å; N487-T489 PolarHBondContact OD1-N 2.83Å; N487-T489 PolarHBondContact OD1-OG1 2.86Å; T489-G502 CarbonylContact C-O 3.57Å; T489-G502 WeakPolarHBondContact CA-O 3.48Å; T489-G502 VanDerWaalsContact CB-O 3.29Å; T489-G502 WeakPolarHBondContact CB-O 3.35Å; T489-K503 HydrophobicContact CG2-CG 4.39Å |
| 490 | Y | 97.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 158 | 178 | 76.3 | -78.2 | 0 | 0 | 0 | 111.4 | I465 M483 V492 R500 Q501 G502 L504 W508 | I465-Y490 HydrophobicContact CD1-CE2 4.16Å; M483-Y490 CarbonylContact O-C 3.6Å; M483-Y490 WeakPolarHBondContact O-CA 3.25Å; M483-Y490 WeakPolarHBondContact O-CB 3.47Å; Y490-V492 HydrophobicContact CD2-CG2 3.97Å; Y490-V492 HydrophobicContact CE2-CG2 4.03Å; Y490-R500 HydrophobicContact CE2-CB 4.46Å; Y490-R500 HydrophobicContact CE2-CG 3.85Å; Y490-R500 WeakPolarHBondContact OH-CD 3.43Å; Y490-R500 VanDerWaalsContact OH-CG 3.31Å; Y490-R500 WeakPolarHBondContact OH-CG 3.46Å; Y490-Q501 VanDerWaalsContact O-CA 3.23Å; Y490-Q501 WeakPolarHBondContact O-CA 3.49Å; Y490-Q501 WeakPolarHBondContact O-CB 3.44Å; Y490-G502 VanDerWaalsContact CD1-O 3.23Å; Y490-G502 WeakPolarHBondContact CD1-O 3.37Å; Y490-G502 PolarHBondContact N-O 2.98Å; Y490-G502 PolarHBondContact O-N 3.2Å; Y490-L504 HydrophobicContact CD1-CD2 4.25Å; Y490-L504 HydrophobicContact CG-CD2 4.37Å; Y490-W508 HydrophobicContact CD1-CH2 4.16Å; Y490-W508 AromaticContact CD1-CZ3 3.58Å; Y490-W508 HydrophobicContact CD1-CZ3 3.58Å; Y490-W508 AromaticContact CD2-CH2 3.7Å; Y490-W508 HydrophobicContact CD2-CH2 3.7Å; Y490-W508 HydrophobicContact CD2-CZ3 4Å; Y490-W508 HydrophobicContact CE1-CE3 4.47Å; Y490-W508 HydrophobicContact CE1-CH2 4.05Å; Y490-W508 AromaticContact CE1-CZ3 3.46Å; Y490-W508 HydrophobicContact CE1-CZ3 3.46Å; Y490-W508 VanDerWaalsContact CE1-CZ3 3.46Å; Y490-W508 AromaticContact CE2-CH2 3.58Å; Y490-W508 HydrophobicContact CE2-CH2 3.58Å; Y490-W508 AromaticContact CE2-CZ3 3.9Å; Y490-W508 HydrophobicContact CE2-CZ3 3.9Å; Y490-W508 AromaticContact CG-CH2 3.98Å; Y490-W508 HydrophobicContact CG-CH2 3.98Å; Y490-W508 AromaticContact CG-CZ3 3.84Å; Y490-W508 HydrophobicContact CG-CZ3 3.84Å; Y490-W508 AromaticContact CZ-CH2 3.75Å; Y490-W508 AromaticContact CZ-CZ3 3.61Å |
| 491 | K | 97.4 | Very high | 96 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139 | 165.9 | -69.3 | 178.8 | 178.7 | -178.9 | 0 | 109.6 | M483 F485 L493 R500 Q501 | M483-K491 HydrophobicContact CB-CB 4.27Å; M483-K491 PolarHBondContact N-O 2.79Å; M483-K491 PolarHBondContact O-N 3.33Å; F485-K491 HydrophobicContact CE2-CB 4.22Å; F485-K491 HydrophobicContact CE2-CD 3.93Å; F485-K491 HydrophobicContact CE2-CG 3.83Å; F485-K491 HydrophobicContact CZ-CD 4.07Å; F485-K491 HydrophobicContact CZ-CG 4.47Å; K491-L493 HydrophobicContact CB-CD1 3.85Å; K491-R500 CarbonylContact C-O 3.55Å; K491-R500 WeakPolarHBondContact CA-O 3.05Å; K491-Q501 HydrophobicContact CG-CB 3.8Å |
| 492 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.9 | 167.1 | -173.3 | 0 | 0 | 0 | 0 | 107.3 | F441 V454 L469 T481 L482 Y490 V499 R500 | F441-V492 HydrophobicContact CE2-CG1 3.92Å; F441-V492 HydrophobicContact CZ-CG1 4.19Å; V454-V492 HydrophobicContact CG2-CG2 4.31Å; L469-V492 HydrophobicContact CD1-CB 4.5Å; L469-V492 HydrophobicContact CD1-CG1 3.94Å; L469-V492 HydrophobicContact CD1-CG2 4.48Å; T481-V492 WeakPolarHBondContact O-CA 3.43Å; L482-V492 HydrophobicContact CD1-CG2 3.95Å; Y490-V492 HydrophobicContact CD2-CG2 3.97Å; Y490-V492 HydrophobicContact CE2-CG2 4.03Å; V492-V499 HydrophobicContact CB-CG2 4.08Å; V492-V499 HydrophobicContact CG1-CG2 3.89Å; V492-V499 VanDerWaalsContact O-CG2 3.27Å; V492-V499 WeakPolarHBondContact O-CG2 3.22Å; V492-V499 PolarHBondContact O-N 2.94Å; V492-R500 HydrophobicContact CB-CB 4.46Å; V492-R500 PolarHBondContact N-O 3.25Å; V492-R500 PolarHBondContact O-N 2.63Å |
| 493 | L | 97.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.6 | 176.5 | -55 | 77.1 | 0 | 0 | 0 | 109.5 | T481 M483 K491 S497 V498 | T481-L493 HydrophobicContact CG2-CD1 4.47Å; T481-L493 PolarHBondContact N-O 2.73Å; T481-L493 PolarHBondContact O-N 2.85Å; M483-L493 HydrophobicContact CE-CD1 4.03Å; M483-L493 HydrophobicContact CE-CD2 4.47Å; M483-L493 HydrophobicContact CG-CD1 4.3Å; M483-L493 HydrophobicContact SD-CD1 3.98Å; K491-L493 HydrophobicContact CB-CD1 3.85Å; L493-S497 CarbonylContact C-O 3.14Å; L493-S497 WeakPolarHBondContact CA-O 3.5Å; L493-V498 HydrophobicContact CD2-CG2 4.06Å; L493-V498 HydrophobicContact CG-CG2 3.95Å |
| 494 | I | 96.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.9 | 167.5 | -53.7 | 171.7 | 0 | 0 | 0 | 105.7 | I452 P470 V479 Y480 Q496 S497 V499 | I452-I494 HydrophobicContact CD1-CD1 3.11Å; I452-I494 HydrophobicContact CD1-CG1 3.9Å; P470-I494 WeakPolarHBondContact O-CD1 3.5Å; V479-I494 CarbonylContact O-C 3.51Å; V479-I494 WeakPolarHBondContact O-CA 3.44Å; Y480-I494 HydrophobicContact CD1-CG1 4.36Å; Y480-I494 HydrophobicContact CE1-CG2 4.4Å; I494-Q496 PolarHBondContact O-N 2.69Å; I494-S497 PolarHBondContact N-O 3.47Å; I494-S497 WeakPolarHBondContact O-CA 3.23Å; I494-S497 WeakPolarHBondContact O-CB 3.36Å; I494-S497 PolarHBondContact O-N 2.91Å; I494-V499 HydrophobicContact CB-CG1 4.08Å; I494-V499 HydrophobicContact CD1-CB 4.36Å; I494-V499 HydrophobicContact CD1-CG1 3.8Å; I494-V499 HydrophobicContact CD1-CG2 3.95Å; I494-V499 HydrophobicContact CG1-CG1 3.91Å; I494-V499 HydrophobicContact CG1-CG2 3.83Å |
| 495 | D | 95.7 | Very high | 95.2 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 40.2 | 176.8 | -70.6 | -2 | 0 | 0 | 0 | 112.4 | H478 V479 S497 W655 | H478-D495 VanDerWaalsContact CA-OD1 3.23Å; H478-D495 WeakPolarHBondContact CA-OD1 3.46Å; H478-D495 IonicContact CE1-OD2 3.13Å; H478-D495 IonicContact CG-OD1 2.65Å; H478-D495 IonicContact CG-OD2 3.36Å; H478-D495 IonicContact ND1-OD1 2.95Å; H478-D495 IonicContact ND1-OD2 3.54Å; H478-D495 PolarHBondContact ND1-OD2 3.46Å; V479-D495 PolarHBondContact N-OD1 3.46Å; V479-D495 PolarHBondContact O-N 2.97Å; D495-S497 PolarHBondContact O-N 2.71Å; D495-S497 VanDerWaalsContact O-N 3.1Å; D495-W655 HydrophobicContact CB-CH2 3.42Å; D495-W655 VanDerWaalsContact CB-CH2 3.42Å; D495-W655 HydrophobicContact CB-CZ2 3.65Å; D495-W655 HydrophobicContact CB-CZ3 4.16Å |
| 496 | Q | 93.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 4.9 | -175 | -57.6 | -61.5 | -65.8 | 0 | 0 | 115.4 | I494 A651 W655 | I494-Q496 PolarHBondContact O-N 2.69Å; Q496-A651 HydrophobicContact CG-CB 3.87Å; Q496-W655 HydrophobicContact CG-CZ3 4.49Å |
| 497 | S | 95.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 53% | 0.531 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.9 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | L493 I494 D495 V499 | L493-S497 CarbonylContact C-O 3.14Å; L493-S497 WeakPolarHBondContact CA-O 3.5Å; I494-S497 PolarHBondContact N-O 3.47Å; I494-S497 WeakPolarHBondContact O-CA 3.23Å; I494-S497 WeakPolarHBondContact O-CB 3.36Å; I494-S497 PolarHBondContact O-N 2.91Å; D495-S497 PolarHBondContact O-N 2.71Å; D495-S497 VanDerWaalsContact O-N 3.1Å; S497-V499 PolarHBondContact O-N 3.28Å; S497-V499 VanDerWaalsContact O-N 3.13Å |
| 498 | V | 96 | Very high | 94.9 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 110.9 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | L493 Q501 | L493-V498 HydrophobicContact CD2-CG2 4.06Å; L493-V498 HydrophobicContact CG-CG2 3.95Å; V498-Q501 HydrophobicContact CG1-CB 4.23Å; V498-Q501 HydrophobicContact CG1-CG 4.41Å |
| 499 | V | 95.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -23.1 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | L469 P470 V492 I494 S497 | L469-V499 HydrophobicContact CD2-CG2 4.21Å; P470-V499 HydrophobicContact CG-CB 3.59Å; P470-V499 HydrophobicContact CG-CG1 3.62Å; P470-V499 HydrophobicContact CG-CG2 4.47Å; V492-V499 HydrophobicContact CB-CG2 4.08Å; V492-V499 HydrophobicContact CG1-CG2 3.89Å; V492-V499 VanDerWaalsContact O-CG2 3.27Å; V492-V499 WeakPolarHBondContact O-CG2 3.22Å; V492-V499 PolarHBondContact O-N 2.94Å; I494-V499 HydrophobicContact CB-CG1 4.08Å; I494-V499 HydrophobicContact CD1-CB 4.36Å; I494-V499 HydrophobicContact CD1-CG1 3.8Å; I494-V499 HydrophobicContact CD1-CG2 3.95Å; I494-V499 HydrophobicContact CG1-CG1 3.91Å; I494-V499 HydrophobicContact CG1-CG2 3.83Å; S497-V499 PolarHBondContact O-N 3.28Å; S497-V499 VanDerWaalsContact O-N 3.13Å |
| 500 | R | 95.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 148 | 172.2 | -172.9 | 157.5 | -71.3 | 157.8 | -0 | 112.4 | R467 E468 L469 Y490 K491 V492 | R467-R500 PolarHBondContact O-NH1 3.35Å; E468-R500 PolarHBondContact O-NH1 3.47Å; E468-R500 PolarHBondContact O-NH2 3.12Å; L469-R500 HydrophobicContact CD2-CB 3.51Å; L469-R500 HydrophobicContact CD2-CG 4.29Å; Y490-R500 HydrophobicContact CE2-CB 4.46Å; Y490-R500 HydrophobicContact CE2-CG 3.85Å; Y490-R500 WeakPolarHBondContact OH-CD 3.43Å; Y490-R500 VanDerWaalsContact OH-CG 3.31Å; Y490-R500 WeakPolarHBondContact OH-CG 3.46Å; K491-R500 CarbonylContact C-O 3.55Å; K491-R500 WeakPolarHBondContact CA-O 3.05Å; V492-R500 HydrophobicContact CB-CB 4.46Å; V492-R500 PolarHBondContact N-O 3.25Å; V492-R500 PolarHBondContact O-N 2.63Å |
| 501 | Q | 96.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 155.9 | 170.6 | 65.1 | -179.5 | 21.3 | 0 | 0 | 110.4 | Y490 K491 V498 | Y490-Q501 VanDerWaalsContact O-CA 3.23Å; Y490-Q501 WeakPolarHBondContact O-CA 3.49Å; Y490-Q501 WeakPolarHBondContact O-CB 3.44Å; K491-Q501 HydrophobicContact CG-CB 3.8Å; V498-Q501 HydrophobicContact CG1-CB 4.23Å; V498-Q501 HydrophobicContact CG1-CG 4.41Å |
| 502 | G | 95 | Very high | 93.7 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -167.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T489 Y490 | T489-G502 CarbonylContact C-O 3.57Å; T489-G502 WeakPolarHBondContact CA-O 3.48Å; T489-G502 VanDerWaalsContact CB-O 3.29Å; T489-G502 WeakPolarHBondContact CB-O 3.35Å; Y490-G502 VanDerWaalsContact CD1-O 3.23Å; Y490-G502 WeakPolarHBondContact CD1-O 3.37Å; Y490-G502 PolarHBondContact N-O 2.98Å; Y490-G502 PolarHBondContact O-N 3.2Å |
| 503 | K | 94.3 | Very high | 93.3 | Very high | 126 Ų | 126 | 55.1 Ų | 55.1 | 55% | 0.548 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.2 | 168.5 | -60.6 | 178.8 | 179.8 | 178.5 | 0 | 109.8 | L488 T489 E505 D506 G507 | L488-K503 WeakPolarHBondContact O-CA 2.92Å; T489-K503 HydrophobicContact CG2-CG 4.39Å; K503-E505 VanDerWaalsContact C-N 3.33Å; K503-E505 PolarHBondContact O-N 3.09Å; K503-D506 HydrophobicContact CB-CB 4.43Å; K503-D506 WeakPolarHBondContact CB-OD2 3.43Å; K503-D506 PolarHBondContact O-N 3.5Å; K503-G507 PolarHBondContact O-N 3.07Å |
| 504 | L | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 177.2 | -73.5 | 171.9 | 0 | 0 | 0 | 111.8 | F456 I484 L488 Y490 D506 G507 W508 F510 L613 A614 | F456-L504 HydrophobicContact CE2-CD2 4.16Å; F456-L504 HydrophobicContact CZ-CD2 4.32Å; I484-L504 HydrophobicContact CG2-CD1 4.07Å; L488-L504 HydrophobicContact CB-CD1 4.43Å; L488-L504 HydrophobicContact CD2-CD1 4.45Å; L488-L504 PolarHBondContact O-N 3.06Å; Y490-L504 HydrophobicContact CD1-CD2 4.25Å; Y490-L504 HydrophobicContact CG-CD2 4.37Å; L504-D506 PolarHBondContact O-N 2.79Å; L504-G507 PolarHBondContact O-N 3.29Å; L504-G507 VanDerWaalsContact O-N 3.11Å; L504-W508 HydrophobicContact CD2-CE3 4.16Å; L504-W508 HydrophobicContact CD2-CZ3 3.88Å; L504-W508 PolarHBondContact O-N 3.35Å; L504-W508 VanDerWaalsContact O-N 3.1Å; L504-F510 HydrophobicContact CB-CD2 4.4Å; L504-F510 HydrophobicContact CB-CE2 3.87Å; L504-F510 HydrophobicContact CD2-CE2 4.36Å; L504-L613 HydrophobicContact CD1-CB 4.11Å; L504-L613 VanDerWaalsContact CD1-O 3.3Å; L504-L613 WeakPolarHBondContact CD1-O 3.39Å; L504-A614 HydrophobicContact CD1-CB 3.97Å; L504-A614 HydrophobicContact CD2-CB 4.37Å |
| 505 | E | 90.9 | Very high | 92.7 | Very high | 50 Ų | 50 | 63.6 Ų | 63.6 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -24.1 | 178.5 | -64.8 | 179.9 | -179.5 | 0 | 0 | 114.3 | K503 K514 Y607 L613 | K503-E505 VanDerWaalsContact C-N 3.33Å; K503-E505 PolarHBondContact O-N 3.09Å; E505-K514 WeakPolarHBondContact OE2-CE 3.46Å; E505-K514 IonicContact OE2-NZ 3.03Å; E505-K514 PolarHBondContact OE2-NZ 3.3Å; E505-Y607 PolarHBondContact OE1-OH 3.2Å; E505-L613 HydrophobicContact CG-CD1 3.44Å; E505-L613 VanDerWaalsContact CG-CD1 3.44Å |
| 506 | D | 89.8 | Confident | 92.6 | Very high | 117 Ų | 117 | 64.4 Ų | 64.4 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -87.3 | -22.9 | 178.8 | -61.8 | -27.5 | 0 | 0 | 0 | 111.7 | K503 L504 | K503-D506 HydrophobicContact CB-CB 4.43Å; K503-D506 WeakPolarHBondContact CB-OD2 3.43Å; K503-D506 PolarHBondContact O-N 3.5Å; L504-D506 PolarHBondContact O-N 2.79Å |
| 507 | G | 90.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -92.8 | -22.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D466 K503 L504 | D466-G507 WeakPolarHBondContact CB-O 3.3Å; D466-G507 PolarHBondContact N-O 2.8Å; K503-G507 PolarHBondContact O-N 3.07Å; L504-G507 PolarHBondContact O-N 3.29Å; L504-G507 VanDerWaalsContact O-N 3.11Å |
| 508 | W | 94.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -145.1 | 151.7 | -177.7 | -65.1 | -101.1 | 0 | 0 | 0 | 111.1 | V454 F456 L463 E464 I465 Y490 L504 F510 | V454-W508 HydrophobicContact CB-CZ2 3.87Å; V454-W508 HydrophobicContact CG1-CH2 4.25Å; V454-W508 HydrophobicContact CG1-CZ2 3.54Å; V454-W508 PolarHBondContact O-NE1 2.88Å; F456-W508 AromaticContact CD2-CD1 3.98Å; F456-W508 AromaticContact CD2-CD2 3.86Å; F456-W508 HydrophobicContact CD2-CD2 3.86Å; F456-W508 AromaticContact CD2-CE2 3.56Å; F456-W508 HydrophobicContact CD2-CE3 4.44Å; F456-W508 HydrophobicContact CD2-CG 4.18Å; F456-W508 AromaticContact CD2-CZ2 3.98Å; F456-W508 HydrophobicContact CD2-CZ2 3.98Å; F456-W508 AromaticContact CD2-NE1 3.57Å; F456-W508 AromaticContact CE2-CD2 3.96Å; F456-W508 HydrophobicContact CE2-CD2 3.96Å; F456-W508 AromaticContact CE2-CE2 3.56Å; F456-W508 HydrophobicContact CE2-CE3 4.17Å; F456-W508 AromaticContact CE2-CH2 3.77Å; F456-W508 HydrophobicContact CE2-CH2 3.77Å; F456-W508 AromaticContact CE2-CZ2 3.49Å; F456-W508 HydrophobicContact CE2-CZ2 3.49Å; F456-W508 VanDerWaalsContact CE2-CZ2 3.49Å; F456-W508 HydrophobicContact CE2-CZ3 4.08Å; L463-W508 VanDerWaalsContact O-CD1 3.24Å; L463-W508 PolarHBondContact O-NE1 3.02Å; E464-W508 VanDerWaalsContact C-NE1 3.33Å; I465-W508 VanDerWaalsContact CA-NE1 3.32Å; I465-W508 HydrophobicContact CB-CH2 4.45Å; I465-W508 HydrophobicContact CB-CZ2 3.56Å; I465-W508 HydrophobicContact CD1-CH2 3.79Å; I465-W508 HydrophobicContact CD1-CZ2 3.69Å; I465-W508 HydrophobicContact CG1-CH2 4.02Å; I465-W508 HydrophobicContact CG1-CZ2 3.62Å; Y490-W508 HydrophobicContact CD1-CH2 4.16Å; Y490-W508 AromaticContact CD1-CZ3 3.58Å; Y490-W508 HydrophobicContact CD1-CZ3 3.58Å; Y490-W508 AromaticContact CD2-CH2 3.7Å; Y490-W508 HydrophobicContact CD2-CH2 3.7Å; Y490-W508 HydrophobicContact CD2-CZ3 4Å; Y490-W508 HydrophobicContact CE1-CE3 4.47Å; Y490-W508 HydrophobicContact CE1-CH2 4.05Å; Y490-W508 AromaticContact CE1-CZ3 3.46Å; Y490-W508 HydrophobicContact CE1-CZ3 3.46Å; Y490-W508 VanDerWaalsContact CE1-CZ3 3.46Å; Y490-W508 AromaticContact CE2-CH2 3.58Å; Y490-W508 HydrophobicContact CE2-CH2 3.58Å; Y490-W508 AromaticContact CE2-CZ3 3.9Å; Y490-W508 HydrophobicContact CE2-CZ3 3.9Å; Y490-W508 AromaticContact CG-CH2 3.98Å; Y490-W508 HydrophobicContact CG-CH2 3.98Å; Y490-W508 AromaticContact CG-CZ3 3.84Å; Y490-W508 HydrophobicContact CG-CZ3 3.84Å; Y490-W508 AromaticContact CZ-CH2 3.75Å; Y490-W508 AromaticContact CZ-CZ3 3.61Å; L504-W508 HydrophobicContact CD2-CE3 4.16Å; L504-W508 HydrophobicContact CD2-CZ3 3.88Å; L504-W508 PolarHBondContact O-N 3.35Å; L504-W508 VanDerWaalsContact O-N 3.1Å; W508-F510 HydrophobicContact CB-CD2 3.65Å; W508-F510 HydrophobicContact CB-CE2 3.42Å; W508-F510 VanDerWaalsContact CB-CE2 3.42Å; W508-F510 HydrophobicContact CB-CG 4.34Å; W508-F510 HydrophobicContact CB-CZ 3.94Å; W508-F510 HydrophobicContact CD2-CE2 4.1Å; W508-F510 HydrophobicContact CD2-CZ 4.33Å; W508-F510 HydrophobicContact CE3-CE2 4.02Å; W508-F510 AromaticContact CG-CE2 3.87Å; W508-F510 HydrophobicContact CG-CE2 3.87Å; W508-F510 HydrophobicContact CG-CZ 4.06Å; W508-F510 PolarHBondContact O-N 2.81Å |
| 509 | R | 90.9 | Very high | 92.3 | Very high | 151 Ų | 151 | 68 Ų | 68 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | trans | -82.9 | 56.4 | 175.9 | -56.3 | -65.8 | 173 | 160.8 | 2.6 | 112.8 | D466 | D466-R509 IonicContact OD2-CZ 3.34Å; D466-R509 IonicContact OD2-NE 3.93Å; D466-R509 PolarHBondContact OD2-NE 2.96Å; D466-R509 IonicContact OD2-NH2 3.81Å; D466-R509 PolarHBondContact OD2-NH2 2.75Å | ||
| 510 | F | 89.9 | Confident | 92.2 | Very high | 14 Ų | 14 | 70 Ų | 70 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | trans | -62.5 | -46.4 | 177.1 | -69.7 | -72.6 | 0 | 0 | 0 | 112.7 | F456 Y458 L463 L504 W508 L613 A614 | F456-F510 HydrophobicContact CB-CE1 3.67Å; F456-F510 HydrophobicContact CB-CZ 3.87Å; F456-F510 HydrophobicContact CD2-CE1 4.24Å; F456-F510 HydrophobicContact CD2-CE2 4.48Å; F456-F510 AromaticContact CD2-CZ 3.53Å; F456-F510 HydrophobicContact CD2-CZ 3.53Å; F456-F510 HydrophobicContact CE2-CZ 4.24Å; F456-F510 HydrophobicContact CG-CE1 4.09Å; F456-F510 AromaticContact CG-CZ 3.79Å; F456-F510 HydrophobicContact CG-CZ 3.79Å; Y458-F510 HydrophobicContact CD1-CB 4.41Å; Y458-F510 HydrophobicContact CD1-CD1 4Å; Y458-F510 HydrophobicContact CD2-CD1 4.08Å; Y458-F510 HydrophobicContact CE1-CB 4.34Å; Y458-F510 VanDerWaalsContact CE1-O 3.28Å; Y458-F510 WeakPolarHBondContact CE1-O 3.33Å; Y458-F510 AromaticContact CG-CD1 3.74Å; Y458-F510 HydrophobicContact CG-CD1 3.74Å; Y458-F510 HydrophobicContact CG-CE1 4.36Å; L463-F510 HydrophobicContact CD1-CB 4.44Å; L463-F510 HydrophobicContact CD1-CD1 3.63Å; L463-F510 HydrophobicContact CD1-CE1 4.15Å; L463-F510 HydrophobicContact CD1-CG 4.17Å; L504-F510 HydrophobicContact CB-CD2 4.4Å; L504-F510 HydrophobicContact CB-CE2 3.87Å; L504-F510 HydrophobicContact CD2-CE2 4.36Å; W508-F510 HydrophobicContact CB-CD2 3.65Å; W508-F510 HydrophobicContact CB-CE2 3.42Å; W508-F510 VanDerWaalsContact CB-CE2 3.42Å; W508-F510 HydrophobicContact CB-CG 4.34Å; W508-F510 HydrophobicContact CB-CZ 3.94Å; W508-F510 HydrophobicContact CD2-CE2 4.1Å; W508-F510 HydrophobicContact CD2-CZ 4.33Å; W508-F510 HydrophobicContact CE3-CE2 4.02Å; W508-F510 AromaticContact CG-CE2 3.87Å; W508-F510 HydrophobicContact CG-CE2 3.87Å; W508-F510 HydrophobicContact CG-CZ 4.06Å; W508-F510 PolarHBondContact O-N 2.81Å; F510-L613 HydrophobicContact CB-CD2 3.67Å; F510-L613 HydrophobicContact CD1-CD2 4.25Å; F510-L613 HydrophobicContact CD2-CD2 4.43Å; F510-L613 HydrophobicContact CG-CD2 3.89Å; F510-A614 HydrophobicContact CZ-CB 4.17Å | ||
| 511 | L | 91.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -119.9 | 156.6 | -172.3 | -58.3 | 176.2 | 0 | 0 | 0 | 110 | Y458 Y607 V608 D610 L613 | Y458-L511 HydrophobicContact CE1-CD2 4.37Å; L511-Y607 HydrophobicContact CB-CD2 4.33Å; L511-Y607 HydrophobicContact CB-CE2 4.18Å; L511-Y607 HydrophobicContact CD1-CE2 3.93Å; L511-V608 WeakPolarHBondContact CD1-O 3.31Å; L511-D610 HydrophobicContact CD1-CB 4.43Å; L511-D610 HydrophobicContact CD2-CB 4.42Å; L511-L613 HydrophobicContact CD1-CD1 4.19Å; L511-L613 HydrophobicContact CD1-CD2 4.3Å; L511-L613 HydrophobicContact CD2-CD2 4.39Å; L511-L613 HydrophobicContact CG-CD2 4.19Å |
| 512 | P | 89.2 | Confident | 91.9 | Very high | 62 Ų | 62 | 71.9 Ų | 71.9 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | trans | -52.8 | 158.4 | 167.6 | -25.3 | 35.5 | 0 | 0 | 0 | 112 | K514 N604 E606 Y607 | P512-K514 PolarHBondContact O-N 2.86Å; P512-N604 WeakPolarHBondContact CB-ND2 3.48Å; P512-E606 HydrophobicContact CG-CB 4.42Å; P512-Y607 WeakPolarHBondContact O-CD2 3.38Å | ||
| 513 | Q | 88 | Confident | 91.8 | Very high | 116 Ų | 116 | 74.3 Ų | 74.3 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | trans | -61.4 | 139.9 | 175.9 | -64.8 | -176.8 | 4.6 | 0 | 0 | 110.3 | F515 N604 | Q513-F515 PolarHBondContact O-N 3.46Å; Q513-N604 WeakPolarHBondContact O-CB 3.39Å; Q513-N604 PolarHBondContact O-ND2 2.74Å | ||
| 514 | K | 90 | Very high | 91.7 | Very high | 86 Ų | 86 | 70.7 Ų | 70.7 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -59.6 | -32.1 | 178.3 | -72.4 | 176.5 | 177.3 | 168.2 | 0 | 113.2 | E505 P512 N604 Y607 | E505-K514 WeakPolarHBondContact OE2-CE 3.46Å; E505-K514 IonicContact OE2-NZ 3.03Å; E505-K514 PolarHBondContact OE2-NZ 3.3Å; P512-K514 PolarHBondContact O-N 2.86Å; K514-N604 PolarHBondContact O-N 2.97Å; K514-Y607 HydrophobicContact CD-CE2 4.3Å; K514-Y607 WeakPolarHBondContact CE-OH 3.35Å; K514-Y607 HydrophobicContact CG-CD1 4.29Å; K514-Y607 HydrophobicContact CG-CD2 3.75Å; K514-Y607 HydrophobicContact CG-CE1 4.11Å; K514-Y607 HydrophobicContact CG-CE2 3.5Å; K514-Y607 HydrophobicContact CG-CG 4.14Å |
| 515 | F | 92.6 | Very high | 91.6 | Very high | 118 Ų | 118 | 78.7 Ų | 78.7 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138 | -178.2 | -57.6 | -79.5 | 0 | 0 | 0 | 110.4 | Q513 Y601 I602 | Q513-F515 PolarHBondContact O-N 3.46Å; F515-Y601 HydrophobicContact CB-CD1 4.16Å; F515-I602 CarbonylContact C-O 3.56Å; F515-I602 VanDerWaalsContact CA-O 3.26Å; F515-I602 WeakPolarHBondContact CA-O 3.46Å |
| 516 | I | 91.9 | Very high | 91.6 | Very high | 51 Ų | 51 | 81.5 Ų | 81.5 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 155.4 | 173.9 | 57.2 | 174.5 | 0 | 0 | 0 | 109.1 | D518 Y601 I602 N604 | I516-D518 PolarHBondContact O-N 3.2Å; I516-Y601 CarbonylContact O-C 3.52Å; I516-Y601 WeakPolarHBondContact O-CA 3.26Å; I516-I602 HydrophobicContact CG1-CD1 4.49Å; I516-I602 HydrophobicContact CG1-CG1 3.98Å; I516-I602 PolarHBondContact N-O 3.46Å; I516-I602 PolarHBondContact O-N 3.3Å; I516-N604 HydrophobicContact CD1-CB 4.48Å; I516-N604 HydrophobicContact CG1-CB 4.24Å; I516-N604 HydrophobicContact CG2-CB 3.96Å |
| 517 | K | 93.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 79.5 Ų | 79.5 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 135.4 | 169.7 | -67.9 | -168.3 | -176.4 | -166.3 | 0 | 108.8 | P519 S598 A599 Y601 | K517-P519 WeakPolarHBondContact O-CD 3.48Å; K517-P519 VanDerWaalsContact O-N 3.09Å; K517-S598 PolarHBondContact NZ-OG 2.76Å; K517-A599 HydrophobicContact CB-CB 4.18Å; K517-Y601 HydrophobicContact CG-CD1 4.3Å; K517-Y601 HydrophobicContact CG-CE1 3.87Å |
| 518 | D | 94.5 | Very high | 91.8 | Very high | 40 Ų | 40 | 80.3 Ų | 80.3 | 21% | 0.214 | 41% | 0.407 | C | S | . | . | trans | -59.9 | 110.7 | 178.9 | -176.1 | -3.8 | 0 | 0 | 0 | 110.2 | I516 A520 A521 P600 I602 | I516-D518 PolarHBondContact O-N 3.2Å; D518-A520 PolarHBondContact O-N 2.99Å; D518-A520 WeakPolarHBondContact OD1-CB 3.24Å; D518-A520 PolarHBondContact OD1-N 3.32Å; D518-A521 HydrophobicContact CB-CB 3.77Å; D518-A521 PolarHBondContact O-N 3.05Å; D518-P600 HydrophobicContact CB-CG 4.11Å; D518-P600 WeakPolarHBondContact CB-O 3.35Å; D518-P600 PolarHBondContact N-O 3.24Å; D518-I602 HydrophobicContact CB-CD1 4.15Å; D518-I602 HydrophobicContact CB-CG1 4.17Å; D518-I602 HydrophobicContact CB-CG2 3.83Å | ||
| 519 | P | 92.1 | Very high | 91.6 | Very high | 115 Ų | 115 | 84.4 Ų | 84.4 | 75% | 0.747 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.9 | -179.6 | 30.2 | -34.5 | 0 | 0 | 0 | 112.4 | K517 | K517-P519 WeakPolarHBondContact O-CD 3.48Å; K517-P519 VanDerWaalsContact O-N 3.09Å |
| 520 | A | 92.3 | Very high | 91.6 | Very high | 79 Ų | 79 | 84.5 Ų | 84.5 | 65% | 0.653 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -14.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D518 K522 | D518-A520 PolarHBondContact O-N 2.99Å; D518-A520 WeakPolarHBondContact OD1-CB 3.24Å; D518-A520 PolarHBondContact OD1-N 3.32Å; A520-K522 PolarHBondContact O-N 2.96Å |
| 521 | A | 92.4 | Very high | 91.7 | Very high | 27 Ų | 27 | 90.8 Ų | 90.8 | 22% | 0.223 | 46% | 0.455 | C | S | . | . | trans | -70.3 | 129.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D518 W597 A599 P600 | D518-A521 HydrophobicContact CB-CB 3.77Å; D518-A521 PolarHBondContact O-N 3.05Å; A521-W597 HydrophobicContact CB-CZ2 4.37Å; A521-A599 HydrophobicContact CB-CB 3.97Å; A521-P600 HydrophobicContact CB-CG 4.1Å | ||
| 522 | K | 92.3 | Very high | 91.8 | Very high | 184 Ų | 184 | 92.3 Ų | 92.3 | 80% | 0.8 | 47% | 0.465 | S | S | * | . | trans | -109.1 | 148.1 | 174 | -64.5 | -176.9 | -179.5 | -180 | 0 | 110 | A520 P524 W597 | A520-K522 PolarHBondContact O-N 2.96Å; K522-P524 WeakPolarHBondContact O-CD 3.32Å; K522-W597 WeakPolarHBondContact O-CZ2 3.09Å | ||
| 523 | K | 92.6 | Very high | 91.9 | Very high | 83 Ų | 83 | 91.4 Ų | 91.4 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | trans | -59.5 | 124.2 | 171.4 | -174.4 | 179.1 | 80 | 73.4 | 0 | 108.9 | W527 M529 W597 | K523-W527 HydrophobicContact CG-CB 4.13Å; K523-W527 PolarHBondContact NZ-O 3.35Å; K523-M529 HydrophobicContact CD-CE 3.94Å; K523-M529 HydrophobicContact CD-SD 4.04Å; K523-W597 VanDerWaalsContact CA-CE2 3.44Å; K523-W597 HydrophobicContact CB-CD2 3.69Å; K523-W597 HydrophobicContact CB-CE3 3.86Å; K523-W597 HydrophobicContact CB-CG 4.06Å; K523-W597 HydrophobicContact CB-CH2 4.49Å; K523-W597 HydrophobicContact CB-CZ2 4.36Å; K523-W597 HydrophobicContact CB-CZ3 4.26Å; K523-W597 HydrophobicContact CD-CB 4.01Å; K523-W597 HydrophobicContact CD-CG 4.27Å; K523-W597 HydrophobicContact CG-CB 3.89Å; K523-W597 HydrophobicContact CG-CD2 3.84Å; K523-W597 HydrophobicContact CG-CE3 4.3Å; K523-W597 HydrophobicContact CG-CG 3.63Å | ||
| 524 | P | 93.1 | Very high | 92 | Very high | 50 Ų | 50 | 90.8 Ų | 90.8 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | trans | -58.4 | 144 | 172.9 | -24.9 | 35 | 0 | 0 | 0 | 111.5 | K522 D526 W527 | K522-P524 WeakPolarHBondContact O-CD 3.32Å; P524-D526 WeakPolarHBondContact CB-OD1 3.45Å; P524-D526 PolarHBondContact O-N 3Å; P524-W527 HydrophobicContact CB-CB 4.3Å; P524-W527 HydrophobicContact CG-CE3 4.43Å; P524-W527 VanDerWaalsContact O-CB 3.3Å; P524-W527 WeakPolarHBondContact O-CB 3.33Å; P524-W527 PolarHBondContact O-N 2.76Å; P524-W527 VanDerWaalsContact O-N 3.14Å | ||
| 525 | D | 90.9 | Very high | 92.1 | Very high | 167 Ų | 167 | 88.4 Ų | 88.4 | 89% | 0.893 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.2 | -179.6 | -66.4 | -31.3 | 0 | 0 | 0 | 111.7 | W527 | D525-W527 PolarHBondContact O-N 3.11Š|
| 526 | D | 91.4 | Very high | 91.8 | Very high | 109 Ų | 109 | 91.6 Ų | 91.6 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 9 | 177.3 | 77.4 | -41.5 | 0 | 0 | 0 | 113.8 | P524 D528 K594 | P524-D526 WeakPolarHBondContact CB-OD1 3.45Å; P524-D526 PolarHBondContact O-N 3Å; D526-D528 PolarHBondContact O-N 2.63Å; D526-K594 PolarHBondContact O-NZ 2.82Å; D526-K594 IonicContact OD2-NZ 2.89Å; D526-K594 PolarHBondContact OD2-NZ 3.26Å |
| 527 | W | 92.3 | Very high | 91.6 | Very high | 75 Ų | 75 | 95.8 Ų | 95.8 | 28% | 0.284 | 49% | 0.487 | S | S | . | . | trans | -91.7 | 99.2 | 178.5 | -161.5 | -71.9 | 0 | 0 | 0 | 111.9 | K523 P524 D525 K594 G595 W597 | K523-W527 HydrophobicContact CG-CB 4.13Å; K523-W527 PolarHBondContact NZ-O 3.35Å; P524-W527 HydrophobicContact CB-CB 4.3Å; P524-W527 HydrophobicContact CG-CE3 4.43Å; P524-W527 VanDerWaalsContact O-CB 3.3Å; P524-W527 WeakPolarHBondContact O-CB 3.33Å; P524-W527 PolarHBondContact O-N 2.76Å; P524-W527 VanDerWaalsContact O-N 3.14Å; D525-W527 PolarHBondContact O-N 3.11Å; W527-K594 HydrophobicContact CD2-CB 3.85Å; W527-K594 HydrophobicContact CD2-CD 4.05Å; W527-K594 HydrophobicContact CE3-CB 4.32Å; W527-K594 HydrophobicContact CE3-CD 3.89Å; W527-K594 HydrophobicContact CG-CB 4.3Å; W527-K594 HydrophobicContact CG-CD 4.48Å; W527-K594 HydrophobicContact CH2-CB 4.25Å; W527-K594 HydrophobicContact CZ2-CB 3.76Å; W527-K594 WeakPolarHBondContact CZ2-O 3.49Å; W527-K594 HydrophobicContact CZ3-CB 4.5Å; W527-K594 HydrophobicContact CZ3-CD 4.28Å; W527-G595 PolarHBondContact NE1-O 2.97Å; W527-W597 HydrophobicContact CD2-CB 4.43Å; W527-W597 AromaticContact CD2-CD1 3.86Å; W527-W597 HydrophobicContact CG-CB 4.21Å | ||
| 528 | D | 91.5 | Very high | 91.4 | Very high | 23 Ų | 23 | 92.1 Ų | 92.1 | 12% | 0.123 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -87.9 | 119.4 | 178 | -156.9 | -22.5 | 0 | 0 | 0 | 112.1 | D526 R530 N590 N592 Y593 K594 | D526-D528 PolarHBondContact O-N 2.63Å; D528-R530 VanDerWaalsContact OD1-CB 3.26Å; D528-R530 WeakPolarHBondContact OD1-CB 3.25Å; D528-R530 WeakPolarHBondContact OD1-CG 3.49Å; D528-R530 IonicContact OD1-CZ 3.39Å; D528-R530 PolarHBondContact OD1-N 2.98Å; D528-R530 IonicContact OD1-NE 3.06Å; D528-R530 PolarHBondContact OD1-NE 3.32Å; D528-R530 IonicContact OD1-NH2 3.61Å; D528-R530 IonicContact OD2-CZ 3.32Å; D528-R530 IonicContact OD2-NE 3.12Å; D528-R530 PolarHBondContact OD2-NE 2.96Å; D528-R530 IonicContact OD2-NH2 3.25Å; D528-R530 PolarHBondContact OD2-NH2 2.7Å; D528-N590 PolarHBondContact OD1-ND2 2.79Å; D528-N590 PolarHBondContact OD2-ND2 2.92Å; D528-N592 HydrophobicContact CB-CB 4.25Å; D528-N592 WeakPolarHBondContact CB-O 3.33Å; D528-Y593 WeakPolarHBondContact O-CA 3.3Å; D528-K594 PolarHBondContact O-N 2.87Å |
| 529 | M | 90.6 | Very high | 91 | Very high | 87 Ų | 87 | 95.5 Ų | 95.5 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | trans | -99.3 | -2.5 | 178.4 | -57.4 | -174.6 | -63.6 | 0 | 0 | 112.5 | K523 K531 Y593 W597 | K523-M529 HydrophobicContact CD-CE 3.94Å; K523-M529 HydrophobicContact CD-SD 4.04Å; M529-K531 PolarHBondContact O-N 2.81Å; M529-Y593 VanDerWaalsContact O-CE2 3.27Å; M529-Y593 WeakPolarHBondContact O-CE2 3.41Å; M529-W597 HydrophobicContact SD-CB 4.08Å | ||
| 530 | R | 91 | Very high | 90.9 | Very high | 154 Ų | 154 | 94 Ų | 94 | 58% | 0.581 | 48% | 0.476 | S | S | * | . | trans | -76.5 | 120.4 | 178.5 | -60.8 | 173.2 | -67 | 177.1 | 3.7 | 108.8 | D528 T532 N590 Y593 | D528-R530 VanDerWaalsContact OD1-CB 3.26Å; D528-R530 WeakPolarHBondContact OD1-CB 3.25Å; D528-R530 WeakPolarHBondContact OD1-CG 3.49Å; D528-R530 IonicContact OD1-CZ 3.39Å; D528-R530 PolarHBondContact OD1-N 2.98Å; D528-R530 IonicContact OD1-NE 3.06Å; D528-R530 PolarHBondContact OD1-NE 3.32Å; D528-R530 IonicContact OD1-NH2 3.61Å; D528-R530 IonicContact OD2-CZ 3.32Å; D528-R530 IonicContact OD2-NE 3.12Å; D528-R530 PolarHBondContact OD2-NE 2.96Å; D528-R530 IonicContact OD2-NH2 3.25Å; D528-R530 PolarHBondContact OD2-NH2 2.7Å; R530-T532 VanDerWaalsContact C-N 3.3Å; R530-T532 WeakPolarHBondContact CB-O 3.2Å; R530-N590 WeakPolarHBondContact O-CB 3.29Å; R530-N590 PolarHBondContact O-ND2 2.82Å; R530-Y593 WeakPolarHBondContact O-CD2 3.49Å | ||
| 531 | K | 91.9 | Very high | 90.7 | Very high | 145 Ų | 145 | 92.7 Ų | 92.7 | 63% | 0.63 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -69.6 | -32.3 | 176.4 | -68.4 | 179.5 | -179.3 | 177.9 | 0 | 111.7 | M529 N590 Y593 | M529-K531 PolarHBondContact O-N 2.81Å; K531-N590 PolarHBondContact O-N 3Å; K531-Y593 WeakPolarHBondContact CE-OH 3.43Å; K531-Y593 HydrophobicContact CG-CD2 4.21Å; K531-Y593 HydrophobicContact CG-CE1 4.1Å; K531-Y593 HydrophobicContact CG-CE2 3.68Å |
| 532 | T | 93.1 | Very high | 90.4 | Very high | 58 Ų | 58 | 101.4 Ų | 101.4 | 36% | 0.356 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.4 | 178.9 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | R530 E587 I588 | R530-T532 VanDerWaalsContact C-N 3.3Å; R530-T532 WeakPolarHBondContact CB-O 3.2Å; T532-E587 WeakPolarHBondContact CB-OE2 3.24Å; T532-E587 HydrophobicContact CG2-CB 4.5Å; T532-E587 PolarHBondContact OG1-OE2 2.91Å; T532-I588 CarbonylContact C-O 3.51Å; T532-I588 WeakPolarHBondContact CA-O 3.42Å; T532-I588 WeakPolarHBondContact CB-O 3.37Å |
| 533 | I | 91.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 96.5 Ų | 96.5 | 22% | 0.221 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 156.7 | 171.6 | 55.5 | 178.3 | 0 | 0 | 0 | 108.2 | E587 I588 N590 | I533-E587 CarbonylContact O-C 3.51Å; I533-E587 WeakPolarHBondContact O-CA 3.46Å; I533-I588 HydrophobicContact CD1-CD1 4.42Å; I533-I588 HydrophobicContact CD1-CG1 4.48Å; I533-I588 HydrophobicContact CG1-CD1 4.26Å; I533-I588 HydrophobicContact CG1-CG1 3.8Å; I533-I588 PolarHBondContact N-O 3.25Å; I533-I588 WeakPolarHBondContact O-CG1 3.03Å; I533-I588 PolarHBondContact O-N 2.93Å; I533-N590 HydrophobicContact CG1-CB 4.3Å; I533-N590 HydrophobicContact CG2-CB 3.89Å |
| 534 | I | 90.6 | Very high | 89.9 | Confident | 104 Ų | 104 | 95.3 Ų | 95.3 | 53% | 0.533 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.2 | 174.7 | -60.3 | 177.3 | 0 | 0 | 0 | 108.5 | E536 P585 | I534-E536 PolarHBondContact O-N 3.1Å; I534-P585 HydrophobicContact CG2-CB 3.63Å; I534-P585 HydrophobicContact CG2-CG 3.65Å |
| 535 | D | 91 | Very high | 89.7 | Confident | 35 Ų | 35 | 98.4 Ų | 98.4 | 19% | 0.187 | 49% | 0.487 | C | S | . | . | trans | -75 | 101.3 | 172.1 | -170.4 | -5.2 | 0 | 0 | 0 | 109.6 | N537 D538 R586 I588 | D535-N537 PolarHBondContact O-N 2.76Å; D535-N537 VanDerWaalsContact O-N 3.16Å; D535-N537 PolarHBondContact OD1-N 3.33Å; D535-N537 VanDerWaalsContact OD1-N 3.07Å; D535-D538 HydrophobicContact CB-CB 3.96Å; D535-D538 WeakPolarHBondContact O-CB 3.35Å; D535-D538 PolarHBondContact O-N 2.84Å; D535-R586 WeakPolarHBondContact CB-O 3.27Å; D535-R586 PolarHBondContact N-O 3.43Å; D535-I588 HydrophobicContact CB-CD1 4.17Å; D535-I588 HydrophobicContact CB-CG1 4.12Å; D535-I588 HydrophobicContact CB-CG2 3.78Å | ||
| 536 | E | 86.9 | Confident | 89.6 | Confident | 186 Ų | 186 | 93.6 Ų | 93.6 | 87% | 0.869 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16 | 179.1 | -64.1 | -177 | 175.7 | 0 | 0 | 113.1 | I534 | I534-E536 PolarHBondContact O-N 3.1Š|
| 537 | N | 87.8 | Confident | 89.4 | Confident | 139 Ų | 139 | 92.1 Ų | 92.1 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -6.4 | 176.1 | -55.6 | -66 | 0 | 0 | 0 | 112.8 | D535 T539 | D535-N537 PolarHBondContact O-N 2.76Å; D535-N537 VanDerWaalsContact O-N 3.16Å; D535-N537 PolarHBondContact OD1-N 3.33Å; D535-N537 VanDerWaalsContact OD1-N 3.07Å; N537-T539 PolarHBondContact O-N 3.42Å |
| 538 | D | 88.8 | Confident | 89.3 | Confident | 32 Ų | 32 | 94.7 Ų | 94.7 | 17% | 0.171 | 47% | 0.47 | C | S | . | . | trans | -76.1 | 118 | 176.5 | -165.8 | 33.9 | 0 | 0 | 0 | 109 | D535 W583 P585 R586 | D535-D538 HydrophobicContact CB-CB 3.96Å; D535-D538 WeakPolarHBondContact O-CB 3.35Å; D535-D538 PolarHBondContact O-N 2.84Å; D538-W583 HydrophobicContact CB-CZ2 4.45Å; D538-W583 VanDerWaalsContact O-CH2 3.26Å; D538-W583 WeakPolarHBondContact O-CH2 3.35Å; D538-W583 WeakPolarHBondContact O-CZ2 3.48Å; D538-P585 HydrophobicContact CB-CB 4.16Å; D538-P585 WeakPolarHBondContact OD2-CA 3.47Å; D538-R586 IonicContact OD1-NE 2.72Å; D538-R586 WeakPolarHBondContact OD2-CB 3.45Å; D538-R586 WeakPolarHBondContact OD2-CG 3.19Å; D538-R586 PolarHBondContact OD2-N 2.81Å; D538-R586 IonicContact OD2-NE 3.91Å | ||
| 539 | T | 86.7 | Confident | 89.3 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | trans | -109.7 | 142.4 | -178.1 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | N537 P541 W583 | N537-T539 PolarHBondContact O-N 3.42Å; T539-P541 VanDerWaalsContact O-CD 3.27Å; T539-P541 WeakPolarHBondContact O-CD 3.29Å; T539-W583 VanDerWaalsContact C-CZ2 3.49Å | ||
| 540 | K | 90 | Very high | 89.3 | Confident | 84 Ų | 84 | 95 Ų | 95 | 37% | 0.365 | 47% | 0.474 | S | S | . | . | trans | -60.6 | 120.8 | 178.2 | -175.1 | 174.8 | -172.2 | -179.5 | 0 | 109.8 | W544 D545 W583 | K540-W544 HydrophobicContact CG-CB 4.1Å; K540-W544 HydrophobicContact CG-CG 4.48Å; K540-D545 VanDerWaalsContact CE-CG 3.41Å; K540-D545 WeakPolarHBondContact CE-OD1 3.35Å; K540-D545 WeakPolarHBondContact CE-OD2 3.17Å; K540-D545 IonicContact NZ-OD1 2.75Å; K540-D545 PolarHBondContact NZ-OD1 2.92Å; K540-D545 IonicContact NZ-OD2 3.11Å; K540-D545 PolarHBondContact NZ-OD2 3.45Å; K540-W583 VanDerWaalsContact CA-CE2 3.47Å; K540-W583 HydrophobicContact CB-CD2 3.63Å; K540-W583 HydrophobicContact CB-CE3 3.85Å; K540-W583 HydrophobicContact CB-CG 3.99Å; K540-W583 HydrophobicContact CB-CH2 4.41Å; K540-W583 HydrophobicContact CB-CZ2 4.25Å; K540-W583 HydrophobicContact CB-CZ3 4.23Å; K540-W583 HydrophobicContact CD-CB 3.87Å; K540-W583 HydrophobicContact CD-CD2 4.3Å; K540-W583 HydrophobicContact CD-CE3 4.36Å; K540-W583 HydrophobicContact CD-CG 4.11Å; K540-W583 HydrophobicContact CG-CB 3.86Å; K540-W583 HydrophobicContact CG-CD2 3.82Å; K540-W583 HydrophobicContact CG-CE3 4.27Å; K540-W583 HydrophobicContact CG-CG 3.63Å | ||
| 541 | P | 88.9 | Confident | 89.2 | Confident | 52 Ų | 52 | 92 Ų | 92 | 34% | 0.338 | 47% | 0.47 | S | S | . | . | trans | -59.6 | 142.2 | 175.2 | -25.7 | 36.5 | 0 | 0 | 0 | 111.5 | T539 D543 W544 | T539-P541 VanDerWaalsContact O-CD 3.27Å; T539-P541 WeakPolarHBondContact O-CD 3.29Å; P541-D543 WeakPolarHBondContact CB-OD1 3.39Å; P541-D543 PolarHBondContact O-N 3.28Å; P541-D543 VanDerWaalsContact O-N 3.14Å; P541-W544 HydrophobicContact CG-CE3 4.14Å; P541-W544 WeakPolarHBondContact O-CB 3.48Å; P541-W544 PolarHBondContact O-N 2.91Å; P541-W544 VanDerWaalsContact O-N 3.13Å | ||
| 542 | E | 86.5 | Confident | 89.2 | Confident | 209 Ų | 209 | 87 Ų | 87 | 98% | 0.977 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.3 | 179.3 | -68.1 | -177.5 | 175.6 | 0 | 0 | 112.7 | ||
| 543 | D | 85.1 | Confident | 88.9 | Confident | 81 Ų | 81 | 89 Ų | 89 | 43% | 0.433 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.9 | -179 | 75.5 | -47.1 | 0 | 0 | 0 | 114.4 | P541 K546 K580 | P541-D543 WeakPolarHBondContact CB-OD1 3.39Å; P541-D543 PolarHBondContact O-N 3.28Å; P541-D543 VanDerWaalsContact O-N 3.14Å; D543-K546 WeakPolarHBondContact O-CE 3.4Å; D543-K580 IonicContact OD2-NZ 2.69Å; D543-K580 PolarHBondContact OD2-NZ 2.99Å |
| 544 | W | 89.2 | Confident | 88.8 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 22% | 0.22 | 49% | 0.487 | C | S | . | . | trans | -77.1 | -39.3 | -173.3 | -163.8 | -76.8 | 0 | 0 | 0 | 113.8 | K540 P541 K546 K580 G581 W583 | K540-W544 HydrophobicContact CG-CB 4.1Å; K540-W544 HydrophobicContact CG-CG 4.48Å; P541-W544 HydrophobicContact CG-CE3 4.14Å; P541-W544 WeakPolarHBondContact O-CB 3.48Å; P541-W544 PolarHBondContact O-N 2.91Å; P541-W544 VanDerWaalsContact O-N 3.13Å; W544-K546 VanDerWaalsContact C-N 3.3Å; W544-K546 PolarHBondContact O-N 2.88Å; W544-K580 HydrophobicContact CD2-CB 4.18Å; W544-K580 HydrophobicContact CD2-CD 4.11Å; W544-K580 HydrophobicContact CE3-CD 3.81Å; W544-K580 HydrophobicContact CH2-CB 4.11Å; W544-K580 HydrophobicContact CH2-CD 4.24Å; W544-K580 HydrophobicContact CZ2-CB 3.65Å; W544-K580 HydrophobicContact CZ2-CD 4.49Å; W544-K580 HydrophobicContact CZ3-CD 3.89Å; W544-G581 PolarHBondContact NE1-O 3.32Å; W544-W583 HydrophobicContact CD2-CB 4.06Å; W544-W583 AromaticContact CD2-CD1 3.65Å; W544-W583 HydrophobicContact CD2-CG 4.24Å; W544-W583 AromaticContact CE2-CD1 3.83Å; W544-W583 AromaticContact CE3-CD1 3.78Å; W544-W583 HydrophobicContact CG-CB 3.95Å; W544-W583 HydrophobicContact CG-CG 4.41Å; W544-W583 HydrophobicContact CZ2-CB 4.45Å | ||
| 545 | D | 87.2 | Confident | 88.7 | Confident | 115 Ų | 115 | 89.7 Ų | 89.7 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | trans | -81.8 | 74 | -174.1 | -72.6 | -33.6 | 0 | 0 | 0 | 112 | K540 | K540-D545 VanDerWaalsContact CE-CG 3.41Å; K540-D545 WeakPolarHBondContact CE-OD1 3.35Å; K540-D545 WeakPolarHBondContact CE-OD2 3.17Å; K540-D545 IonicContact NZ-OD1 2.75Å; K540-D545 PolarHBondContact NZ-OD1 2.92Å; K540-D545 IonicContact NZ-OD2 3.11Å; K540-D545 PolarHBondContact NZ-OD2 3.45Å | ||
| 546 | K | 89.1 | Confident | 88.5 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 29% | 0.291 | 50% | 0.499 | S | S | . | . | trans | -92.9 | 144.5 | 172.1 | -57 | -67.1 | 179.8 | 144.6 | 0 | 109.4 | D543 W544 E578 Y579 | D543-K546 WeakPolarHBondContact O-CE 3.4Å; W544-K546 VanDerWaalsContact C-N 3.3Å; W544-K546 PolarHBondContact O-N 2.88Å; K546-E578 HydrophobicContact CB-CB 4.17Å; K546-E578 HydrophobicContact CD-CB 4.31Å; K546-E578 WeakPolarHBondContact CD-OE2 3.48Å; K546-E578 VanDerWaalsContact CE-OE2 3.23Å; K546-E578 WeakPolarHBondContact CE-OE2 3.3Å; K546-E578 HydrophobicContact CG-CB 3.8Å; K546-E578 IonicContact NZ-OE2 3.99Å; K546-E578 PolarHBondContact NZ-OE2 3.41Å; K546-Y579 WeakPolarHBondContact O-CD2 3.42Å | ||
| 547 | P | 88.4 | Confident | 88.7 | Confident | 78 Ų | 78 | 88.7 Ų | 88.7 | 51% | 0.506 | 47% | 0.474 | S | S | . | . | trans | -62.2 | 146.3 | 176 | 27.2 | -34.2 | 0 | 0 | 0 | 109.9 | T549 I550 N576 | P547-T549 VanDerWaalsContact C-N 3.25Å; P547-T549 WeakPolarHBondContact CB-O 3.38Å; P547-T549 PolarHBondContact O-N 2.86Å; P547-I550 HydrophobicContact CG-CG2 4.23Å; P547-N576 WeakPolarHBondContact O-CB 3.27Å; P547-N576 PolarHBondContact O-ND2 2.77Å | ||
| 548 | E | 90.1 | Very high | 88.7 | Confident | 129 Ų | 129 | 84.6 Ų | 84.6 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -64.3 | -32.3 | -179.3 | -177.9 | 168.1 | -160.4 | 0 | 0 | 112.1 | N576 Y579 | E548-N576 PolarHBondContact O-N 3.04Å; E548-Y579 HydrophobicContact CB-CD1 4.08Å; E548-Y579 HydrophobicContact CB-CE1 3.96Å; E548-Y579 HydrophobicContact CB-CG 4.4Å; E548-Y579 HydrophobicContact CG-CD1 3.87Å; E548-Y579 HydrophobicContact CG-CE1 3.69Å |
| 549 | T | 90.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 91.3 Ų | 91.3 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 150.6 | 176 | 60 | 0 | 0 | 0 | 0 | 111.6 | P547 E573 I574 | P547-T549 VanDerWaalsContact C-N 3.25Å; P547-T549 WeakPolarHBondContact CB-O 3.38Å; P547-T549 PolarHBondContact O-N 2.86Å; T549-E573 PolarHBondContact OG1-OE2 3.23Å; T549-I574 CarbonylContact C-O 3.54Å; T549-I574 VanDerWaalsContact CA-O 3.28Å; T549-I574 WeakPolarHBondContact CA-O 3.43Å |
| 550 | I | 89.9 | Confident | 88.6 | Confident | 58 Ų | 58 | 92.8 Ų | 92.8 | 30% | 0.297 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.8 | 168.9 | 56.6 | 177.4 | 0 | 0 | 0 | 108.2 | P547 E573 I574 N576 | P547-I550 HydrophobicContact CG-CG2 4.23Å; I550-E573 CarbonylContact O-C 3.55Å; I550-E573 WeakPolarHBondContact O-CA 3.28Å; I550-I574 HydrophobicContact CD1-CD1 4.42Å; I550-I574 HydrophobicContact CD1-CG1 4.49Å; I550-I574 HydrophobicContact CG1-CD1 4.26Å; I550-I574 HydrophobicContact CG1-CG1 3.81Å; I550-I574 PolarHBondContact N-O 2.98Å; I550-I574 WeakPolarHBondContact O-CG1 3.09Å; I550-I574 PolarHBondContact O-N 3.19Å; I550-N576 HydrophobicContact CG1-CB 4.38Å; I550-N576 HydrophobicContact CG2-CB 3.9Å |
| 551 | L | 90.7 | Very high | 88.6 | Confident | 92 Ų | 92 | 92.7 Ų | 92.7 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 136.6 | 171.1 | -63.9 | 176.2 | 0 | 0 | 0 | 109.9 | P553 P571 E573 | L551-P553 WeakPolarHBondContact O-CD 3.33Å; L551-P553 VanDerWaalsContact O-N 3.1Å; L551-P571 HydrophobicContact CB-CG 3.98Å; L551-P571 HydrophobicContact CD1-CG 4.17Å; L551-P571 HydrophobicContact CD2-CG 4.29Å; L551-P571 WeakPolarHBondContact CD2-O 3.48Å; L551-P571 HydrophobicContact CG-CG 4.37Å; L551-E573 HydrophobicContact CD2-CG 4.03Å |
| 552 | D | 90.3 | Very high | 88.4 | Confident | 39 Ų | 39 | 93.7 Ų | 93.7 | 21% | 0.209 | 50% | 0.495 | C | S | . | . | trans | -62.4 | 109.4 | 179.6 | -175.2 | -4.9 | 0 | 0 | 0 | 110.5 | N554 A555 P572 I574 | D552-N554 PolarHBondContact O-N 2.8Å; D552-N554 PolarHBondContact OD1-N 3.25Å; D552-A555 HydrophobicContact CB-CB 3.83Å; D552-A555 WeakPolarHBondContact O-CB 3.45Å; D552-A555 PolarHBondContact O-N 2.89Å; D552-P572 HydrophobicContact CB-CG 4.12Å; D552-P572 WeakPolarHBondContact CB-O 3.49Å; D552-P572 PolarHBondContact N-O 2.9Å; D552-I574 HydrophobicContact CB-CD1 4.17Å; D552-I574 HydrophobicContact CB-CG1 4.19Å; D552-I574 HydrophobicContact CB-CG2 3.75Å | ||
| 553 | P | 88.1 | Confident | 88.4 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 66% | 0.656 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.1 | -177.7 | 30.4 | -34.9 | 0 | 0 | 0 | 112.7 | L551 | L551-P553 WeakPolarHBondContact O-CD 3.33Å; L551-P553 VanDerWaalsContact O-N 3.1Å |
| 554 | N | 89.7 | Confident | 88.3 | Confident | 134 Ų | 134 | 92.4 Ų | 92.4 | 72% | 0.717 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -0.1 | 179.3 | -57.9 | -54.6 | 0 | 0 | 0 | 112.7 | D552 V556 | D552-N554 PolarHBondContact O-N 2.8Å; D552-N554 PolarHBondContact OD1-N 3.25Å; N554-V556 PolarHBondContact O-N 2.9Å |
| 555 | A | 87.7 | Confident | 88 | Confident | 27 Ų | 27 | 95 Ų | 95 | 22% | 0.223 | 51% | 0.51 | C | S | . | . | trans | -68.6 | 128.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | D552 W569 P571 P572 | D552-A555 HydrophobicContact CB-CB 3.83Å; D552-A555 WeakPolarHBondContact O-CB 3.45Å; D552-A555 PolarHBondContact O-N 2.89Å; A555-W569 HydrophobicContact CB-CH2 3.7Å; A555-W569 HydrophobicContact CB-CZ2 3.92Å; A555-W569 WeakPolarHBondContact O-CH2 3.42Å; A555-P571 HydrophobicContact CB-CB 3.77Å; A555-P572 HydrophobicContact CB-CG 4.19Å | ||
| 556 | V | 87.1 | Confident | 87.7 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 75% | 0.745 | 50% | 0.504 | S | S | * | . | trans | -107.7 | 133.8 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | N554 P558 | N554-V556 PolarHBondContact O-N 2.9Å; V556-P558 WeakPolarHBondContact O-CD 3.35Å | ||
| 557 | K | 90 | Very high | 87.5 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 34% | 0.335 | 51% | 0.507 | S | S | . | . | trans | -59.6 | 125.8 | 173.9 | -177 | 176.2 | -176.4 | 177.8 | 0 | 109.7 | W561 D563 W569 | K557-W561 HydrophobicContact CG-CB 4.06Å; K557-W561 HydrophobicContact CG-CG 4.32Å; K557-D563 WeakPolarHBondContact CE-OD1 3.4Å; K557-D563 IonicContact NZ-OD1 3.95Å; K557-D563 PolarHBondContact NZ-OD1 3.17Å; K557-D563 IonicContact NZ-OD2 3.9Å; K557-D563 PolarHBondContact NZ-OD2 3.46Å; K557-W569 HydrophobicContact CB-CD2 3.83Å; K557-W569 HydrophobicContact CB-CE3 3.9Å; K557-W569 HydrophobicContact CB-CG 4.2Å; K557-W569 HydrophobicContact CB-CZ3 4.3Å; K557-W569 HydrophobicContact CD-CB 3.93Å; K557-W569 HydrophobicContact CD-CG 4.29Å; K557-W569 HydrophobicContact CG-CB 3.91Å; K557-W569 HydrophobicContact CG-CD2 3.94Å; K557-W569 HydrophobicContact CG-CE3 4.33Å; K557-W569 HydrophobicContact CG-CG 3.76Å | ||
| 558 | P | 87.8 | Confident | 87.4 | Confident | 53 Ų | 53 | 96.2 Ų | 96.2 | 34% | 0.344 | 52% | 0.519 | S | S | . | . | trans | -59.6 | 141.2 | 178.5 | -24.9 | 34.3 | 0 | 0 | 0 | 112.6 | V556 D560 W561 | V556-P558 WeakPolarHBondContact O-CD 3.35Å; P558-D560 WeakPolarHBondContact CB-OD1 3.32Å; P558-D560 PolarHBondContact O-N 2.76Å; P558-W561 HydrophobicContact CB-CB 4.41Å; P558-W561 HydrophobicContact CG-CE3 4.42Å; P558-W561 WeakPolarHBondContact O-CB 3.42Å; P558-W561 PolarHBondContact O-N 3.28Å | ||
| 559 | D | 86.7 | Confident | 87.3 | Confident | 174 Ų | 174 | 92.6 Ų | 92.6 | 93% | 0.93 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.8 | -179.5 | -67.7 | -26 | 0 | 0 | 0 | 112.8 | ||
| 560 | D | 88.1 | Confident | 87 | Confident | 141 Ų | 141 | 95.6 Ų | 95.6 | 75% | 0.754 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 4 | 176.4 | 64.1 | -26.6 | 0 | 0 | 0 | 113.5 | P558 N562 | P558-D560 WeakPolarHBondContact CB-OD1 3.32Å; P558-D560 PolarHBondContact O-N 2.76Å; D560-N562 PolarHBondContact O-N 3.01Å |
| 561 | W | 89.4 | Confident | 86.9 | Confident | 82 Ų | 82 | 94.3 Ų | 94.3 | 31% | 0.311 | 51% | 0.505 | S | S | . | . | trans | -75 | 116 | 178.6 | -166.3 | -80.5 | 0 | 0 | 0 | 111.9 | K557 P558 D563 N566 G567 W569 | K557-W561 HydrophobicContact CG-CB 4.06Å; K557-W561 HydrophobicContact CG-CG 4.32Å; P558-W561 HydrophobicContact CB-CB 4.41Å; P558-W561 HydrophobicContact CG-CE3 4.42Å; P558-W561 WeakPolarHBondContact O-CB 3.42Å; P558-W561 PolarHBondContact O-N 3.28Å; W561-D563 PolarHBondContact NE1-OD1 3.1Å; W561-N566 HydrophobicContact CD2-CB 4.08Å; W561-N566 HydrophobicContact CH2-CB 4.17Å; W561-N566 HydrophobicContact CZ2-CB 3.6Å; W561-G567 PolarHBondContact NE1-O 2.68Å; W561-W569 HydrophobicContact CD2-CB 4.08Å; W561-W569 AromaticContact CD2-CD1 3.63Å; W561-W569 HydrophobicContact CD2-CG 4.23Å; W561-W569 AromaticContact CE2-CD1 3.8Å; W561-W569 AromaticContact CE3-CD1 3.64Å; W561-W569 HydrophobicContact CG-CB 4.21Å; W561-W569 AromaticContact CH2-CD1 3.94Å; W561-W569 HydrophobicContact CZ2-CB 4.11Å; W561-W569 AromaticContact CZ2-CD1 3.95Å; W561-W569 HydrophobicContact CZ2-CG 4.45Å; W561-W569 AromaticContact CZ3-CD1 3.8Å | ||
| 562 | N | 83.7 | Confident | 86.9 | Confident | 73 Ų | 73 | 93.4 Ų | 93.4 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | trans | -103.3 | 108 | 175.2 | -177.5 | -14.7 | 0 | 0 | 0 | 110.3 | D560 E564 V565 N566 | D560-N562 PolarHBondContact O-N 3.01Å; N562-E564 PolarHBondContact O-N 2.77Å; N562-E564 VanDerWaalsContact O-N 3.17Å; N562-E564 WeakPolarHBondContact OD1-CB 3.4Å; N562-E564 PolarHBondContact OD1-N 2.85Å; N562-V565 HydrophobicContact CB-CB 4.2Å; N562-V565 HydrophobicContact CB-CG2 4.31Å; N562-V565 WeakPolarHBondContact ND2-CG2 3.46Å; N562-V565 PolarHBondContact O-N 3.35Å; N562-N566 WeakPolarHBondContact O-CB 3.46Å; N562-N566 PolarHBondContact O-N 2.84Å; N562-N566 PolarHBondContact O-OD1 2.78Å | ||
| 563 | D | 86.9 | Confident | 87 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -26.7 | -179.1 | -64.8 | -32.7 | 0 | 0 | 0 | 113.6 | K557 W561 V565 G567 | K557-D563 WeakPolarHBondContact CE-OD1 3.4Å; K557-D563 IonicContact NZ-OD1 3.95Å; K557-D563 PolarHBondContact NZ-OD1 3.17Å; K557-D563 IonicContact NZ-OD2 3.9Å; K557-D563 PolarHBondContact NZ-OD2 3.46Å; W561-D563 PolarHBondContact NE1-OD1 3.1Å; D563-V565 VanDerWaalsContact C-N 3.34Å; D563-G567 VanDerWaalsContact O-CA 3.27Å; D563-G567 WeakPolarHBondContact O-CA 3.47Å; D563-G567 PolarHBondContact O-N 2.85Å |
| 564 | E | 82.4 | Confident | 87.2 | Confident | 185 Ų | 185 | 95.5 Ų | 95.5 | 86% | 0.864 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.3 | -28.6 | 176 | -70 | -172.9 | 156.9 | 0 | 0 | 112.6 | N562 | N562-E564 PolarHBondContact O-N 2.77Å; N562-E564 VanDerWaalsContact O-N 3.17Å; N562-E564 WeakPolarHBondContact OD1-CB 3.4Å; N562-E564 PolarHBondContact OD1-N 2.85Å |
| 565 | V | 83.7 | Confident | 87.3 | Confident | 112 Ų | 112 | 94.1 Ų | 94.1 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -98.1 | -38.1 | -177.9 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | N562 D563 | N562-V565 HydrophobicContact CB-CB 4.2Å; N562-V565 HydrophobicContact CB-CG2 4.31Å; N562-V565 WeakPolarHBondContact ND2-CG2 3.46Å; N562-V565 PolarHBondContact O-N 3.35Å; D563-V565 VanDerWaalsContact C-N 3.34Å |
| 566 | N | 81.4 | Confident | 87.4 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -106 | -8.4 | -170.2 | -62.6 | 82.9 | 0 | 0 | 0 | 113.8 | W561 N562 | W561-N566 HydrophobicContact CD2-CB 4.08Å; W561-N566 HydrophobicContact CH2-CB 4.17Å; W561-N566 HydrophobicContact CZ2-CB 3.6Å; N562-N566 WeakPolarHBondContact O-CB 3.46Å; N562-N566 PolarHBondContact O-N 2.84Å; N562-N566 PolarHBondContact O-OD1 2.78Å |
| 567 | G | 85.4 | Confident | 87.6 | Confident | 35 Ų | 35 | 93.4 Ų | 93.4 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | trans | 78 | 176.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W561 D563 W569 | W561-G567 PolarHBondContact NE1-O 2.68Å; D563-G567 VanDerWaalsContact O-CA 3.27Å; D563-G567 WeakPolarHBondContact O-CA 3.47Å; D563-G567 PolarHBondContact O-N 2.85Å; G567-W569 PolarHBondContact O-N 2.81Å | ||
| 568 | E | 84.6 | Confident | 87.5 | Confident | 163 Ų | 163 | 94.8 Ų | 94.8 | 76% | 0.762 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -62.5 | 118.3 | 178.5 | -167.2 | 175.4 | -167.7 | 0 | 0 | 110.1 | Q570 | E568-Q570 PolarHBondContact O-N 2.92Š|
| 569 | W | 89.1 | Confident | 87.7 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 20% | 0.201 | 51% | 0.507 | C | S | . | . | trans | -60.1 | 132.7 | 178.8 | -178.9 | 83.1 | 0 | 0 | 0 | 111.3 | A555 K557 W561 G567 P571 | A555-W569 HydrophobicContact CB-CH2 3.7Å; A555-W569 HydrophobicContact CB-CZ2 3.92Å; A555-W569 WeakPolarHBondContact O-CH2 3.42Å; K557-W569 HydrophobicContact CB-CD2 3.83Å; K557-W569 HydrophobicContact CB-CE3 3.9Å; K557-W569 HydrophobicContact CB-CG 4.2Å; K557-W569 HydrophobicContact CB-CZ3 4.3Å; K557-W569 HydrophobicContact CD-CB 3.93Å; K557-W569 HydrophobicContact CD-CG 4.29Å; K557-W569 HydrophobicContact CG-CB 3.91Å; K557-W569 HydrophobicContact CG-CD2 3.94Å; K557-W569 HydrophobicContact CG-CE3 4.33Å; K557-W569 HydrophobicContact CG-CG 3.76Å; W561-W569 HydrophobicContact CD2-CB 4.08Å; W561-W569 AromaticContact CD2-CD1 3.63Å; W561-W569 HydrophobicContact CD2-CG 4.23Å; W561-W569 AromaticContact CE2-CD1 3.8Å; W561-W569 AromaticContact CE3-CD1 3.64Å; W561-W569 HydrophobicContact CG-CB 4.21Å; W561-W569 AromaticContact CH2-CD1 3.94Å; W561-W569 HydrophobicContact CZ2-CB 4.11Å; W561-W569 AromaticContact CZ2-CD1 3.95Å; W561-W569 HydrophobicContact CZ2-CG 4.45Å; W561-W569 AromaticContact CZ3-CD1 3.8Å; G567-W569 PolarHBondContact O-N 2.81Å; W569-P571 HydrophobicContact CH2-CB 3.7Å; W569-P571 HydrophobicContact CH2-CG 4.47Å; W569-P571 HydrophobicContact CZ2-CB 4.32Å; W569-P571 HydrophobicContact CZ3-CB 4.06Å; W569-P571 HydrophobicContact CZ3-CG 4.35Å | ||
| 570 | Q | 84.4 | Confident | 87.7 | Confident | 120 Ų | 120 | 93.3 Ų | 93.3 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | trans | -118.3 | 136.1 | 171.5 | -64.8 | -67.7 | -48.7 | 0 | 0 | 109 | E568 | E568-Q570 PolarHBondContact O-N 2.92Š| ||
| 571 | P | 88 | Confident | 87.6 | Confident | 31 Ų | 31 | 87.7 Ų | 87.7 | 20% | 0.201 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 143.5 | 173.9 | 23.1 | -31.1 | 0 | 0 | 0 | 110.8 | L551 A555 W569 | L551-P571 HydrophobicContact CB-CG 3.98Å; L551-P571 HydrophobicContact CD1-CG 4.17Å; L551-P571 HydrophobicContact CD2-CG 4.29Å; L551-P571 WeakPolarHBondContact CD2-O 3.48Å; L551-P571 HydrophobicContact CG-CG 4.37Å; A555-P571 HydrophobicContact CB-CB 3.77Å; W569-P571 HydrophobicContact CH2-CB 3.7Å; W569-P571 HydrophobicContact CH2-CG 4.47Å; W569-P571 HydrophobicContact CZ2-CB 4.32Å; W569-P571 HydrophobicContact CZ3-CB 4.06Å; W569-P571 HydrophobicContact CZ3-CG 4.35Å |
| 572 | P | 90.2 | Very high | 87.4 | Confident | 72 Ų | 72 | 91.6 Ų | 91.6 | 47% | 0.468 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 147.8 | 176.5 | 26.4 | -33.5 | 0 | 0 | 0 | 111.3 | D552 A555 | D552-P572 HydrophobicContact CB-CG 4.12Å; D552-P572 WeakPolarHBondContact CB-O 3.49Å; D552-P572 PolarHBondContact N-O 2.9Å; A555-P572 HydrophobicContact CB-CG 4.19Å |
| 573 | E | 92.8 | Very high | 87.7 | Confident | 132 Ų | 132 | 91 Ų | 91 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.2 | 169.9 | -70.3 | -175.5 | -163.6 | 0 | 0 | 110.5 | T549 I550 L551 | T549-E573 PolarHBondContact OG1-OE2 3.23Å; I550-E573 CarbonylContact O-C 3.55Å; I550-E573 WeakPolarHBondContact O-CA 3.28Å; L551-E573 HydrophobicContact CD2-CG 4.03Å |
| 574 | I | 91.2 | Very high | 87.7 | Confident | 53 Ų | 53 | 95 Ų | 95 | 27% | 0.272 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 152.7 | 173.1 | 57.5 | 168.6 | 0 | 0 | 0 | 110.3 | T549 I550 D552 N576 | T549-I574 CarbonylContact C-O 3.54Å; T549-I574 VanDerWaalsContact CA-O 3.28Å; T549-I574 WeakPolarHBondContact CA-O 3.43Å; I550-I574 HydrophobicContact CD1-CD1 4.42Å; I550-I574 HydrophobicContact CD1-CG1 4.49Å; I550-I574 HydrophobicContact CG1-CD1 4.26Å; I550-I574 HydrophobicContact CG1-CG1 3.81Å; I550-I574 PolarHBondContact N-O 2.98Å; I550-I574 WeakPolarHBondContact O-CG1 3.09Å; I550-I574 PolarHBondContact O-N 3.19Å; D552-I574 HydrophobicContact CB-CD1 4.17Å; D552-I574 HydrophobicContact CB-CG1 4.19Å; D552-I574 HydrophobicContact CB-CG2 3.75Å; I574-N576 PolarHBondContact O-N 3.36Å |
| 575 | P | 92.7 | Very high | 88 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 68% | 0.682 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 130.2 | 174.5 | -23.8 | 33.8 | 0 | 0 | 0 | 111.2 | P577 | P575-P577 VanDerWaalsContact O-CD 3.22Å; P575-P577 WeakPolarHBondContact O-CD 3.12Å |
| 576 | N | 90.5 | Very high | 88.2 | Confident | 16 Ų | 16 | 91.7 Ų | 91.7 | 9% | 0.086 | 46% | 0.461 | C | S | . | . | trans | -73.5 | 115.6 | 178.1 | -174.8 | -6.2 | 0 | 0 | 0 | 110.4 | P547 E548 I550 I574 E578 Y579 | P547-N576 WeakPolarHBondContact O-CB 3.27Å; P547-N576 PolarHBondContact O-ND2 2.77Å; E548-N576 PolarHBondContact O-N 3.04Å; I550-N576 HydrophobicContact CG1-CB 4.38Å; I550-N576 HydrophobicContact CG2-CB 3.9Å; I574-N576 PolarHBondContact O-N 3.36Å; N576-E578 PolarHBondContact O-N 2.94Å; N576-E578 VanDerWaalsContact O-N 3.08Å; N576-E578 WeakPolarHBondContact OD1-CB 3.33Å; N576-E578 PolarHBondContact OD1-N 2.84Å; N576-Y579 WeakPolarHBondContact O-CB 3.48Å; N576-Y579 PolarHBondContact O-N 2.85Å | ||
| 577 | P | 90 | Very high | 88.7 | Confident | 118 Ų | 118 | 94 Ų | 94 | 77% | 0.766 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.3 | 178.4 | -21.3 | 34.3 | 0 | 0 | 0 | 113.8 | P575 | P575-P577 VanDerWaalsContact O-CD 3.22Å; P575-P577 WeakPolarHBondContact O-CD 3.12Å |
| 578 | E | 89.6 | Confident | 89 | Confident | 107 Ų | 107 | 95.6 Ų | 95.6 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -7.7 | 177.1 | -55.9 | -167.6 | 164.5 | 0 | 0 | 114 | K546 N576 K580 | K546-E578 HydrophobicContact CB-CB 4.17Å; K546-E578 HydrophobicContact CD-CB 4.31Å; K546-E578 WeakPolarHBondContact CD-OE2 3.48Å; K546-E578 VanDerWaalsContact CE-OE2 3.23Å; K546-E578 WeakPolarHBondContact CE-OE2 3.3Å; K546-E578 HydrophobicContact CG-CB 3.8Å; K546-E578 IonicContact NZ-OE2 3.99Å; K546-E578 PolarHBondContact NZ-OE2 3.41Å; N576-E578 PolarHBondContact O-N 2.94Å; N576-E578 VanDerWaalsContact O-N 3.08Å; N576-E578 WeakPolarHBondContact OD1-CB 3.33Å; N576-E578 PolarHBondContact OD1-N 2.84Å; E578-K580 PolarHBondContact O-N 2.85Å |
| 579 | Y | 90.8 | Very high | 89.5 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | trans | -72.7 | 116.5 | 179.3 | -179.7 | -124.5 | 0 | 0 | 0 | 111.5 | K546 E548 N576 | K546-Y579 WeakPolarHBondContact O-CD2 3.42Å; E548-Y579 HydrophobicContact CB-CD1 4.08Å; E548-Y579 HydrophobicContact CB-CE1 3.96Å; E548-Y579 HydrophobicContact CB-CG 4.4Å; E548-Y579 HydrophobicContact CG-CD1 3.87Å; E548-Y579 HydrophobicContact CG-CE1 3.69Å; N576-Y579 WeakPolarHBondContact O-CB 3.48Å; N576-Y579 PolarHBondContact O-N 2.85Å | ||
| 580 | K | 86.3 | Confident | 89.6 | Confident | 104 Ų | 104 | 94.7 Ų | 94.7 | 45% | 0.452 | 46% | 0.464 | S | S | . | . | trans | -100.7 | 6.2 | -177 | -62.6 | 168.8 | -169 | 161.1 | 0 | 113.6 | D543 W544 E578 | D543-K580 IonicContact OD2-NZ 2.69Å; D543-K580 PolarHBondContact OD2-NZ 2.99Å; W544-K580 HydrophobicContact CD2-CB 4.18Å; W544-K580 HydrophobicContact CD2-CD 4.11Å; W544-K580 HydrophobicContact CE3-CD 3.81Å; W544-K580 HydrophobicContact CH2-CB 4.11Å; W544-K580 HydrophobicContact CH2-CD 4.24Å; W544-K580 HydrophobicContact CZ2-CB 3.65Å; W544-K580 HydrophobicContact CZ2-CD 4.49Å; W544-K580 HydrophobicContact CZ3-CD 3.89Å; E578-K580 PolarHBondContact O-N 2.85Å | ||
| 581 | G | 86.7 | Confident | 90 | Very high | 23 Ų | 23 | 94.2 Ų | 94.2 | 24% | 0.237 | 47% | 0.471 | C | S | . | . | trans | 77.7 | -172.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W544 W583 | W544-G581 PolarHBondContact NE1-O 3.32Å; G581-W583 PolarHBondContact O-N 3.46Å | ||
| 582 | E | 85.2 | Confident | 90.1 | Very high | 164 Ų | 164 | 97.9 Ų | 97.9 | 77% | 0.766 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -66.2 | 126 | 175.8 | -65.8 | -175.7 | 165.1 | 0 | 0 | 111.2 | K584 | E582-K584 PolarHBondContact O-N 3.28Š|
| 583 | W | 89.9 | Confident | 90.2 | Very high | 62 Ų | 62 | 98.6 Ų | 98.6 | 24% | 0.235 | 48% | 0.483 | C | S | . | . | trans | -65.1 | 135.1 | 177.4 | -179.3 | 83.3 | 0 | 0 | 0 | 111.3 | D538 T539 K540 W544 G581 P585 | D538-W583 HydrophobicContact CB-CZ2 4.45Å; D538-W583 VanDerWaalsContact O-CH2 3.26Å; D538-W583 WeakPolarHBondContact O-CH2 3.35Å; D538-W583 WeakPolarHBondContact O-CZ2 3.48Å; T539-W583 VanDerWaalsContact C-CZ2 3.49Å; K540-W583 VanDerWaalsContact CA-CE2 3.47Å; K540-W583 HydrophobicContact CB-CD2 3.63Å; K540-W583 HydrophobicContact CB-CE3 3.85Å; K540-W583 HydrophobicContact CB-CG 3.99Å; K540-W583 HydrophobicContact CB-CH2 4.41Å; K540-W583 HydrophobicContact CB-CZ2 4.25Å; K540-W583 HydrophobicContact CB-CZ3 4.23Å; K540-W583 HydrophobicContact CD-CB 3.87Å; K540-W583 HydrophobicContact CD-CD2 4.3Å; K540-W583 HydrophobicContact CD-CE3 4.36Å; K540-W583 HydrophobicContact CD-CG 4.11Å; K540-W583 HydrophobicContact CG-CB 3.86Å; K540-W583 HydrophobicContact CG-CD2 3.82Å; K540-W583 HydrophobicContact CG-CE3 4.27Å; K540-W583 HydrophobicContact CG-CG 3.63Å; W544-W583 HydrophobicContact CD2-CB 4.06Å; W544-W583 AromaticContact CD2-CD1 3.65Å; W544-W583 HydrophobicContact CD2-CG 4.24Å; W544-W583 AromaticContact CE2-CD1 3.83Å; W544-W583 AromaticContact CE3-CD1 3.78Å; W544-W583 HydrophobicContact CG-CB 3.95Å; W544-W583 HydrophobicContact CG-CG 4.41Å; W544-W583 HydrophobicContact CZ2-CB 4.45Å; G581-W583 PolarHBondContact O-N 3.46Å; W583-P585 HydrophobicContact CH2-CB 3.51Å; W583-P585 HydrophobicContact CH2-CG 3.58Å; W583-P585 HydrophobicContact CZ2-CB 3.86Å; W583-P585 HydrophobicContact CZ2-CG 4.33Å; W583-P585 HydrophobicContact CZ3-CB 4.17Å; W583-P585 HydrophobicContact CZ3-CG 3.73Å | ||
| 584 | K | 87.2 | Confident | 90.1 | Very high | 162 Ų | 162 | 96.8 Ų | 96.8 | 70% | 0.704 | 47% | 0.473 | S | S | * | . | trans | -127.5 | 135.8 | 169 | -64.9 | -179.4 | -177.8 | 176.9 | 0 | 108.4 | E582 | E582-K584 PolarHBondContact O-N 3.28Š| ||
| 585 | P | 88 | Confident | 90 | Very high | 45 Ų | 45 | 95.1 Ų | 95.1 | 29% | 0.292 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 145.5 | 175.6 | 5.3 | -2 | 0 | 0 | 0 | 110.5 | I534 D538 W583 | I534-P585 HydrophobicContact CG2-CB 3.63Å; I534-P585 HydrophobicContact CG2-CG 3.65Å; D538-P585 HydrophobicContact CB-CB 4.16Å; D538-P585 WeakPolarHBondContact OD2-CA 3.47Å; W583-P585 HydrophobicContact CH2-CB 3.51Å; W583-P585 HydrophobicContact CH2-CG 3.58Å; W583-P585 HydrophobicContact CZ2-CB 3.86Å; W583-P585 HydrophobicContact CZ2-CG 4.33Å; W583-P585 HydrophobicContact CZ3-CB 4.17Å; W583-P585 HydrophobicContact CZ3-CG 3.73Å |
| 586 | R | 88.8 | Confident | 89.9 | Confident | 182 Ų | 182 | 95.8 Ų | 95.8 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 147.7 | -179 | -72.6 | 164.8 | -173.1 | -163.7 | 3 | 111.4 | D535 D538 | D535-R586 WeakPolarHBondContact CB-O 3.27Å; D535-R586 PolarHBondContact N-O 3.43Å; D538-R586 IonicContact OD1-NE 2.72Å; D538-R586 WeakPolarHBondContact OD2-CB 3.45Å; D538-R586 WeakPolarHBondContact OD2-CG 3.19Å; D538-R586 PolarHBondContact OD2-N 2.81Å; D538-R586 IonicContact OD2-NE 3.91Å |
| 587 | E | 92.3 | Very high | 90 | Very high | 137 Ų | 137 | 98.2 Ų | 98.2 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.2 | 168.4 | -72 | -171.6 | -162.1 | 0 | 0 | 110.2 | T532 I533 | T532-E587 WeakPolarHBondContact CB-OE2 3.24Å; T532-E587 HydrophobicContact CG2-CB 4.5Å; T532-E587 PolarHBondContact OG1-OE2 2.91Å; I533-E587 CarbonylContact O-C 3.51Å; I533-E587 WeakPolarHBondContact O-CA 3.46Å |
| 588 | I | 91.6 | Very high | 90.1 | Very high | 68 Ų | 68 | 95.5 Ų | 95.5 | 35% | 0.349 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 156.2 | 173.5 | 55.5 | 170.6 | 0 | 0 | 0 | 110.6 | T532 I533 D535 N590 | T532-I588 CarbonylContact C-O 3.51Å; T532-I588 WeakPolarHBondContact CA-O 3.42Å; T532-I588 WeakPolarHBondContact CB-O 3.37Å; I533-I588 HydrophobicContact CD1-CD1 4.42Å; I533-I588 HydrophobicContact CD1-CG1 4.48Å; I533-I588 HydrophobicContact CG1-CD1 4.26Å; I533-I588 HydrophobicContact CG1-CG1 3.8Å; I533-I588 PolarHBondContact N-O 3.25Å; I533-I588 WeakPolarHBondContact O-CG1 3.03Å; I533-I588 PolarHBondContact O-N 2.93Å; D535-I588 HydrophobicContact CB-CD1 4.17Å; D535-I588 HydrophobicContact CB-CG1 4.12Å; D535-I588 HydrophobicContact CB-CG2 3.78Å; I588-N590 PolarHBondContact O-N 3.09Å |
| 589 | K | 93.3 | Very high | 90.2 | Very high | 185 Ų | 185 | 91 Ų | 91 | 80% | 0.804 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 129.9 | 174.3 | -72 | -176.7 | 179.7 | 177.1 | 0 | 109.4 | P591 | K589-P591 WeakPolarHBondContact O-CD 3.48Å |
| 590 | N | 92.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 90 Ų | 90 | 6% | 0.059 | 45% | 0.449 | C | S | . | . | trans | -73.7 | 112 | 178.5 | -176.8 | 4 | 0 | 0 | 0 | 110.6 | D528 R530 K531 I533 I588 N592 Y593 | D528-N590 PolarHBondContact OD1-ND2 2.79Å; D528-N590 PolarHBondContact OD2-ND2 2.92Å; R530-N590 WeakPolarHBondContact O-CB 3.29Å; R530-N590 PolarHBondContact O-ND2 2.82Å; K531-N590 PolarHBondContact O-N 3Å; I533-N590 HydrophobicContact CG1-CB 4.3Å; I533-N590 HydrophobicContact CG2-CB 3.89Å; I588-N590 PolarHBondContact O-N 3.09Å; N590-N592 PolarHBondContact O-N 2.83Å; N590-N592 WeakPolarHBondContact OD1-CB 3.42Å; N590-N592 PolarHBondContact OD1-N 3.43Å; N590-Y593 WeakPolarHBondContact O-CB 3.31Å; N590-Y593 PolarHBondContact O-N 3.27Å | ||
| 591 | P | 91.3 | Very high | 90.6 | Very high | 110 Ų | 110 | 92.3 Ų | 92.3 | 71% | 0.714 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.9 | 178.1 | 27.4 | -33.8 | 0 | 0 | 0 | 112.9 | K589 | K589-P591 WeakPolarHBondContact O-CD 3.48Š|
| 592 | N | 91.4 | Very high | 90.9 | Very high | 108 Ų | 108 | 94.1 Ų | 94.1 | 58% | 0.578 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.9 | 179.3 | -64.6 | -39.5 | 0 | 0 | 0 | 113.8 | D528 N590 K594 | D528-N592 HydrophobicContact CB-CB 4.25Å; D528-N592 WeakPolarHBondContact CB-O 3.33Å; N590-N592 PolarHBondContact O-N 2.83Å; N590-N592 WeakPolarHBondContact OD1-CB 3.42Å; N590-N592 PolarHBondContact OD1-N 3.43Å; N592-K594 PolarHBondContact O-N 3.29Å; N592-K594 VanDerWaalsContact O-N 3.12Å |
| 593 | Y | 92.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 91.5 Ų | 91.5 | 34% | 0.341 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -63.8 | 113.1 | -178.9 | 176.2 | -116.4 | 0 | 0 | 0 | 111.6 | D528 M529 R530 K531 N590 G595 | D528-Y593 WeakPolarHBondContact O-CA 3.3Å; M529-Y593 VanDerWaalsContact O-CE2 3.27Å; M529-Y593 WeakPolarHBondContact O-CE2 3.41Å; R530-Y593 WeakPolarHBondContact O-CD2 3.49Å; K531-Y593 WeakPolarHBondContact CE-OH 3.43Å; K531-Y593 HydrophobicContact CG-CD2 4.21Å; K531-Y593 HydrophobicContact CG-CE1 4.1Å; K531-Y593 HydrophobicContact CG-CE2 3.68Å; N590-Y593 WeakPolarHBondContact O-CB 3.31Å; N590-Y593 PolarHBondContact O-N 3.27Å; Y593-G595 VanDerWaalsContact CZ-CA 3.46Å |
| 594 | K | 90.4 | Very high | 91.4 | Very high | 95 Ų | 95 | 89.2 Ų | 89.2 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | trans | -100.5 | 8.8 | 179.9 | -69.5 | 177.8 | -176.7 | 163 | 0 | 113.4 | D526 W527 D528 N592 | D526-K594 PolarHBondContact O-NZ 2.82Å; D526-K594 IonicContact OD2-NZ 2.89Å; D526-K594 PolarHBondContact OD2-NZ 3.26Å; W527-K594 HydrophobicContact CD2-CB 3.85Å; W527-K594 HydrophobicContact CD2-CD 4.05Å; W527-K594 HydrophobicContact CE3-CB 4.32Å; W527-K594 HydrophobicContact CE3-CD 3.89Å; W527-K594 HydrophobicContact CG-CB 4.3Å; W527-K594 HydrophobicContact CG-CD 4.48Å; W527-K594 HydrophobicContact CH2-CB 4.25Å; W527-K594 HydrophobicContact CZ2-CB 3.76Å; W527-K594 WeakPolarHBondContact CZ2-O 3.49Å; W527-K594 HydrophobicContact CZ3-CB 4.5Å; W527-K594 HydrophobicContact CZ3-CD 4.28Å; D528-K594 PolarHBondContact O-N 2.87Å; N592-K594 PolarHBondContact O-N 3.29Å; N592-K594 VanDerWaalsContact O-N 3.12Å | ||
| 595 | G | 89.6 | Confident | 91.7 | Very high | 18 Ų | 18 | 86.1 Ų | 86.1 | 19% | 0.186 | 44% | 0.436 | C | S | . | . | trans | 85.4 | 175.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W527 Y593 W597 | W527-G595 PolarHBondContact NE1-O 2.97Å; Y593-G595 VanDerWaalsContact CZ-CA 3.46Å; G595-W597 PolarHBondContact O-N 3.34Å | ||
| 596 | T | 90.3 | Very high | 91.8 | Very high | 118 Ų | 118 | 90.8 Ų | 90.8 | 72% | 0.724 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -68.6 | 123.1 | 173.4 | -51.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 597 | W | 92.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 83.8 Ų | 83.8 | 26% | 0.258 | 43% | 0.427 | S | S | . | . | trans | -67.9 | 140.6 | 178.8 | -179 | 84.5 | 0 | 0 | 0 | 111.8 | A521 K522 K523 W527 M529 G595 A599 | A521-W597 HydrophobicContact CB-CZ2 4.37Å; K522-W597 WeakPolarHBondContact O-CZ2 3.09Å; K523-W597 VanDerWaalsContact CA-CE2 3.44Å; K523-W597 HydrophobicContact CB-CD2 3.69Å; K523-W597 HydrophobicContact CB-CE3 3.86Å; K523-W597 HydrophobicContact CB-CG 4.06Å; K523-W597 HydrophobicContact CB-CH2 4.49Å; K523-W597 HydrophobicContact CB-CZ2 4.36Å; K523-W597 HydrophobicContact CB-CZ3 4.26Å; K523-W597 HydrophobicContact CD-CB 4.01Å; K523-W597 HydrophobicContact CD-CG 4.27Å; K523-W597 HydrophobicContact CG-CB 3.89Å; K523-W597 HydrophobicContact CG-CD2 3.84Å; K523-W597 HydrophobicContact CG-CE3 4.3Å; K523-W597 HydrophobicContact CG-CG 3.63Å; W527-W597 HydrophobicContact CD2-CB 4.43Å; W527-W597 AromaticContact CD2-CD1 3.86Å; W527-W597 HydrophobicContact CG-CB 4.21Å; M529-W597 HydrophobicContact SD-CB 4.08Å; G595-W597 PolarHBondContact O-N 3.34Å; W597-A599 HydrophobicContact CH2-CB 3.81Å; W597-A599 HydrophobicContact CZ2-CB 4.17Å; W597-A599 HydrophobicContact CZ3-CB 4.46Å | ||
| 598 | S | 91.2 | Very high | 91.9 | Very high | 60 Ų | 60 | 82.2 Ų | 82.2 | 42% | 0.42 | 43% | 0.427 | S | S | . | . | trans | -138.1 | 138.2 | 166.8 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | K517 | K517-S598 PolarHBondContact NZ-OG 2.76Š| ||
| 599 | A | 92.5 | Very high | 91.7 | Very high | 13 Ų | 13 | 82 Ų | 82 | 11% | 0.107 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 141.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K517 A521 W597 | K517-A599 HydrophobicContact CB-CB 4.18Å; A521-A599 HydrophobicContact CB-CB 3.97Å; W597-A599 HydrophobicContact CH2-CB 3.81Å; W597-A599 HydrophobicContact CZ2-CB 4.17Å; W597-A599 HydrophobicContact CZ3-CB 4.46Å |
| 600 | P | 92.6 | Very high | 91.6 | Very high | 71 Ų | 71 | 75 Ų | 75 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 154.3 | 175.8 | 29.1 | -34.6 | 0 | 0 | 0 | 110.6 | D518 A521 | D518-P600 HydrophobicContact CB-CG 4.11Å; D518-P600 WeakPolarHBondContact CB-O 3.35Å; D518-P600 PolarHBondContact N-O 3.24Å; A521-P600 HydrophobicContact CB-CG 4.1Å |
| 601 | Y | 93.4 | Very high | 91.4 | Very high | 151 Ų | 151 | 78.6 Ų | 78.6 | 59% | 0.592 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.8 | 172.9 | -75.4 | -87.1 | 0 | 0 | 0 | 110.3 | F515 I516 K517 | F515-Y601 HydrophobicContact CB-CD1 4.16Å; I516-Y601 CarbonylContact O-C 3.52Å; I516-Y601 WeakPolarHBondContact O-CA 3.26Å; K517-Y601 HydrophobicContact CG-CD1 4.3Å; K517-Y601 HydrophobicContact CG-CE1 3.87Å |
| 602 | I | 93.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 78.1 Ų | 78.1 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 160.6 | 172.8 | 58.8 | 168.9 | 0 | 0 | 0 | 109.8 | F515 I516 D518 N604 | F515-I602 CarbonylContact C-O 3.56Å; F515-I602 VanDerWaalsContact CA-O 3.26Å; F515-I602 WeakPolarHBondContact CA-O 3.46Å; I516-I602 HydrophobicContact CG1-CD1 4.49Å; I516-I602 HydrophobicContact CG1-CG1 3.98Å; I516-I602 PolarHBondContact N-O 3.46Å; I516-I602 PolarHBondContact O-N 3.3Å; D518-I602 HydrophobicContact CB-CD1 4.15Å; D518-I602 HydrophobicContact CB-CG1 4.17Å; D518-I602 HydrophobicContact CB-CG2 3.83Å; I602-N604 PolarHBondContact O-N 2.81Å |
| 603 | H | 92.5 | Very high | 91.1 | Very high | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 133.5 | 172.4 | -171.8 | -80 | 0 | 0 | 0 | 109.8 | P605 Y607 | H603-P605 VanDerWaalsContact O-CD 3.32Å; H603-P605 WeakPolarHBondContact O-CD 3.38Å; H603-Y607 AromaticContact NE2-CD1 3.96Å |
| 604 | N | 93.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | trans | -73.2 | 116.4 | 178.1 | -174.5 | -0.8 | 0 | 0 | 0 | 109.9 | P512 Q513 K514 I516 I602 E606 Y607 | P512-N604 WeakPolarHBondContact CB-ND2 3.48Å; Q513-N604 WeakPolarHBondContact O-CB 3.39Å; Q513-N604 PolarHBondContact O-ND2 2.74Å; K514-N604 PolarHBondContact O-N 2.97Å; I516-N604 HydrophobicContact CD1-CB 4.48Å; I516-N604 HydrophobicContact CG1-CB 4.24Å; I516-N604 HydrophobicContact CG2-CB 3.96Å; I602-N604 PolarHBondContact O-N 2.81Å; N604-E606 PolarHBondContact O-N 3.03Å; N604-E606 WeakPolarHBondContact OD1-CB 3.17Å; N604-E606 PolarHBondContact OD1-N 3.22Å; N604-E606 VanDerWaalsContact OD1-N 3.08Å; N604-Y607 WeakPolarHBondContact O-CB 3.38Å; N604-Y607 PolarHBondContact O-N 3.13Å | ||
| 605 | P | 92.3 | Very high | 90.9 | Very high | 98 Ų | 98 | 66 Ų | 66 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -23 | 178.8 | 26.2 | -34.4 | 0 | 0 | 0 | 112.9 | H603 Y607 | H603-P605 VanDerWaalsContact O-CD 3.32Å; H603-P605 WeakPolarHBondContact O-CD 3.38Å; P605-Y607 VanDerWaalsContact C-N 3.33Å |
| 606 | E | 91 | Very high | 91 | Very high | 142 Ų | 142 | 66.3 Ų | 66.3 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -9.1 | 177.2 | -58.6 | -61.6 | 140.9 | 0 | 0 | 113.2 | P512 N604 V608 | P512-E606 HydrophobicContact CG-CB 4.42Å; N604-E606 PolarHBondContact O-N 3.03Å; N604-E606 WeakPolarHBondContact OD1-CB 3.17Å; N604-E606 PolarHBondContact OD1-N 3.22Å; N604-E606 VanDerWaalsContact OD1-N 3.08Å; E606-V608 PolarHBondContact O-N 3.11Å |
| 607 | Y | 91.3 | Very high | 91.1 | Very high | 35 Ų | 35 | 66.2 Ų | 66.2 | 14% | 0.137 | 35% | 0.354 | C | S | . | . | trans | -77.4 | 115.7 | 177.7 | 175.6 | -92.8 | 0 | 0 | 0 | 110.4 | E505 L511 P512 K514 H603 N604 P605 A609 | E505-Y607 PolarHBondContact OE1-OH 3.2Å; L511-Y607 HydrophobicContact CB-CD2 4.33Å; L511-Y607 HydrophobicContact CB-CE2 4.18Å; L511-Y607 HydrophobicContact CD1-CE2 3.93Å; P512-Y607 WeakPolarHBondContact O-CD2 3.38Å; K514-Y607 HydrophobicContact CD-CE2 4.3Å; K514-Y607 WeakPolarHBondContact CE-OH 3.35Å; K514-Y607 HydrophobicContact CG-CD1 4.29Å; K514-Y607 HydrophobicContact CG-CD2 3.75Å; K514-Y607 HydrophobicContact CG-CE1 4.11Å; K514-Y607 HydrophobicContact CG-CE2 3.5Å; K514-Y607 HydrophobicContact CG-CG 4.14Å; H603-Y607 AromaticContact NE2-CD1 3.96Å; N604-Y607 WeakPolarHBondContact O-CB 3.38Å; N604-Y607 PolarHBondContact O-N 3.13Å; P605-Y607 VanDerWaalsContact C-N 3.33Å; Y607-A609 HydrophobicContact CE1-CB 4.1Å | ||
| 608 | V | 90.6 | Very high | 91.3 | Very high | 105 Ų | 105 | 64.6 Ų | 64.6 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | trans | -121.9 | 118.3 | 171.3 | -177.6 | 0 | 0 | 0 | 0 | 108 | L511 E606 | L511-V608 WeakPolarHBondContact CD1-O 3.31Å; E606-V608 PolarHBondContact O-N 3.11Å | ||
| 609 | A | 88.8 | Confident | 91.6 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | trans | -64.8 | 138.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y607 | Y607-A609 HydrophobicContact CE1-CB 4.1Š| ||
| 610 | D | 90 | Very high | 91.9 | Very high | 37 Ų | 37 | 61.3 Ų | 61.3 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | trans | -116.9 | 113.1 | 178.5 | -175.8 | -12.9 | 0 | 0 | 0 | 108.6 | Y458 L511 Y612 L613 | Y458-D610 WeakPolarHBondContact CE2-OD2 3.38Å; Y458-D610 PolarHBondContact OH-OD2 2.97Å; L511-D610 HydrophobicContact CD1-CB 4.43Å; L511-D610 HydrophobicContact CD2-CB 4.42Å; D610-Y612 PolarHBondContact O-N 2.83Å; D610-Y612 PolarHBondContact OD1-N 3.41Å; D610-L613 HydrophobicContact CB-CD2 3.81Å; D610-L613 HydrophobicContact CB-CG 3.95Å; D610-L613 WeakPolarHBondContact O-CG 3.3Å | ||
| 611 | P | 88.4 | Confident | 92.1 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -8.4 | -177.9 | 30.8 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 612 | Y | 88.4 | Confident | 92.4 | Very high | 99 Ų | 99 | 50.7 Ų | 50.7 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 30.7 | -177 | -58.9 | -61.8 | 0 | 0 | 0 | 111.8 | R396 D610 A614 A615 | R396-Y612 HydrophobicContact CB-CD1 3.97Å; R396-Y612 HydrophobicContact CB-CE1 3.93Å; R396-Y612 HydrophobicContact CG-CD1 3.91Å; R396-Y612 HydrophobicContact CG-CE1 4.21Å; R396-Y612 HydrophobicContact CG-CG 4.4Å; D610-Y612 PolarHBondContact O-N 2.83Å; D610-Y612 PolarHBondContact OD1-N 3.41Å; Y612-A614 PolarHBondContact O-N 3.09Å; Y612-A615 PolarHBondContact O-N 2.8Å |
| 613 | L | 89.4 | Confident | 92.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 126.6 | 174.4 | -73.1 | 174.8 | 0 | 0 | 0 | 110.7 | Y458 L488 L504 E505 F510 L511 D610 A615 | Y458-L613 HydrophobicContact CE2-CD2 4.01Å; L488-L613 HydrophobicContact CD1-CD1 4.42Å; L488-L613 HydrophobicContact CD2-CB 4.09Å; L504-L613 HydrophobicContact CD1-CB 4.11Å; L504-L613 VanDerWaalsContact CD1-O 3.3Å; L504-L613 WeakPolarHBondContact CD1-O 3.39Å; E505-L613 HydrophobicContact CG-CD1 3.44Å; E505-L613 VanDerWaalsContact CG-CD1 3.44Å; F510-L613 HydrophobicContact CB-CD2 3.67Å; F510-L613 HydrophobicContact CD1-CD2 4.25Å; F510-L613 HydrophobicContact CD2-CD2 4.43Å; F510-L613 HydrophobicContact CG-CD2 3.89Å; L511-L613 HydrophobicContact CD1-CD1 4.19Å; L511-L613 HydrophobicContact CD1-CD2 4.3Å; L511-L613 HydrophobicContact CD2-CD2 4.39Å; L511-L613 HydrophobicContact CG-CD2 4.19Å; D610-L613 HydrophobicContact CB-CD2 3.81Å; D610-L613 HydrophobicContact CB-CG 3.95Å; D610-L613 WeakPolarHBondContact O-CG 3.3Å; L613-A615 PolarHBondContact O-N 3.41Å; L613-A615 VanDerWaalsContact O-N 3.11Å |
| 614 | A | 86.3 | Confident | 92.9 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 8.3 | -177 | 0 | 0 | 0 | 0 | 0 | 116.1 | F456 L504 F510 Y612 H616 | F456-A614 HydrophobicContact CD1-CB 3.64Å; F456-A614 HydrophobicContact CE1-CB 3.61Å; F456-A614 HydrophobicContact CG-CB 4.16Å; F456-A614 HydrophobicContact CZ-CB 4.06Å; L504-A614 HydrophobicContact CD1-CB 3.97Å; L504-A614 HydrophobicContact CD2-CB 4.37Å; F510-A614 HydrophobicContact CZ-CB 4.17Å; Y612-A614 PolarHBondContact O-N 3.09Å; A614-H616 PolarHBondContact O-CD2 3.09Å |
| 615 | A | 91.2 | Very high | 93.1 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | trans | -94.5 | 141.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R396 Y612 L613 | R396-A615 HydrophobicContact CG-CB 4.36Å; Y612-A615 PolarHBondContact O-N 2.8Å; L613-A615 PolarHBondContact O-N 3.41Å; L613-A615 VanDerWaalsContact O-N 3.11Å | ||
| 616 | H | 92.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | trans | -132.5 | 142.3 | -176.6 | -57 | -81.9 | 0 | 0 | 0 | 110.1 | S395 Y438 A614 V619 | S395-H616 PolarHBondContact N-O 2.85Å; S395-H616 PolarHBondContact OG-N 3.41Å; S395-H616 PolarHBondContact OG-O 3.4Å; Y438-H616 WeakPolarHBondContact CB-NE2 3.32Å; Y438-H616 HydrophobicContact CD1-CB 4.5Å; Y438-H616 AromaticContact CD1-CE1 3.26Å; Y438-H616 WeakPolarHBondContact CD1-CE1 3.4Å; Y438-H616 AromaticContact CD1-CG 3.71Å; Y438-H616 AromaticContact CD1-ND1 3.09Å; Y438-H616 WeakPolarHBondContact CD1-ND1 3.34Å; Y438-H616 AromaticContact CD1-NE2 3.94Å; Y438-H616 HydrophobicContact CD2-CB 3.67Å; Y438-H616 AromaticContact CD2-CG 3.58Å; Y438-H616 AromaticContact CD2-ND1 3.85Å; Y438-H616 AromaticContact CE1-CE1 3.91Å; Y438-H616 AromaticContact CE1-ND1 3.35Å; Y438-H616 VanDerWaalsContact CE1-ND1 3.35Å; Y438-H616 WeakPolarHBondContact CE1-ND1 3.45Å; Y438-H616 HydrophobicContact CE2-CB 3.67Å; Y438-H616 AromaticContact CE2-CG 3.92Å; Y438-H616 HydrophobicContact CG-CB 4.09Å; Y438-H616 AromaticContact CG-CD2 3.71Å; Y438-H616 AromaticContact CG-CE1 3.57Å; Y438-H616 AromaticContact CG-CG 3.44Å; Y438-H616 VanDerWaalsContact CG-CG 3.44Å; Y438-H616 AromaticContact CG-ND1 3.37Å; Y438-H616 AromaticContact CG-NE2 3.78Å; Y438-H616 AromaticContact CZ-ND1 3.8Å; A614-H616 PolarHBondContact O-CD2 3.09Å; H616-V619 HydrophobicContact CB-CG2 3.82Å | ||
| 617 | E | 92.8 | Very high | 93.7 | Very high | 115 Ų | 115 | 34.7 Ų | 34.7 | 54% | 0.537 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -87.5 | -17.9 | -172.3 | 62.7 | -176 | 173.1 | 0 | 0 | 114.4 | D394 R396 | D394-E617 WeakPolarHBondContact CA-O 3.45Å; D394-E617 WeakPolarHBondContact CB-O 3.45Å; R396-E617 VanDerWaalsContact CZ-CB 3.5Å; R396-E617 IonicContact CZ-OE2 3.92Å; R396-E617 IonicContact NH1-OE2 3.43Å; R396-E617 PolarHBondContact NH1-OE2 2.58Å; R396-E617 IonicContact NH2-OE2 3.26Å |
| 618 | D | 96.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 33 Ų | 33 | 19% | 0.187 | 18% | 0.182 | C | C | . | . | trans | -135.6 | 38 | -167.6 | 70.2 | -35.7 | 0 | 0 | 0 | 112.1 | S423 A424 Y438 G620 | S423-D618 CarbonylContact C-O 3.39Å; S423-D618 WeakPolarHBondContact CB-OD2 3.5Å; S423-D618 PolarHBondContact OG-OD2 3.26Å; A424-D618 HydrophobicContact CB-CB 4.36Å; A424-D618 WeakPolarHBondContact CB-O 3.21Å; A424-D618 PolarHBondContact N-O 2.67Å; Y438-D618 VanDerWaalsContact CE2-OD1 3.3Å; Y438-D618 WeakPolarHBondContact CE2-OD1 3.46Å; Y438-D618 VanDerWaalsContact CZ-OD1 3.26Å; Y438-D618 VanDerWaalsContact OH-CG 3.3Å; Y438-D618 PolarHBondContact OH-OD1 3.13Å; Y438-D618 PolarHBondContact OH-OD2 2.82Å; D618-G620 PolarHBondContact O-N 3.3Å | ||
| 619 | V | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 116.1 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | L389 F393 F400 V421 Y438 H616 | L389-V619 HydrophobicContact CD2-CG1 3.97Å; F393-V619 HydrophobicContact CB-CB 4.16Å; F393-V619 PolarHBondContact N-O 2.97Å; F393-V619 WeakPolarHBondContact O-CB 3.31Å; F393-V619 PolarHBondContact O-N 2.94Å; F400-V619 HydrophobicContact CE2-CG1 4.36Å; V421-V619 HydrophobicContact CG1-CG1 3.39Å; V421-V619 HydrophobicContact CG1-CG2 4.47Å; Y438-V619 HydrophobicContact CD2-CG2 4.1Å; Y438-V619 HydrophobicContact CE2-CG2 4.48Å; H616-V619 HydrophobicContact CB-CG2 3.82Å |
| 620 | G | 97.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | -4.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K388 L389 L422 D618 | K388-G620 CarbonylContact C-O 3.57Å; K388-G620 VanDerWaalsContact CA-O 3.29Å; K388-G620 WeakPolarHBondContact CA-O 3.41Å; K388-G620 WeakPolarHBondContact CD-O 3.49Å; L389-G620 PolarHBondContact N-O 3.25Å; L422-G620 PolarHBondContact O-N 3.07Å; D618-G620 PolarHBondContact O-N 3.3Å |
| 621 | A | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R387 K388 L422 L428 | R387-A621 CarbonylContact O-C 3.59Å; R387-A621 VanDerWaalsContact O-CA 3.25Å; R387-A621 WeakPolarHBondContact O-CA 3.19Å; R387-A621 WeakPolarHBondContact O-CB 3.32Å; K388-A621 HydrophobicContact CD-CB 4.21Å; L422-A621 HydrophobicContact CB-CB 3.82Å; L422-A621 HydrophobicContact CD1-CB 4.07Å; L422-A621 PolarHBondContact N-O 2.9Å; L422-A621 PolarHBondContact O-N 2.89Å; L422-A621 VanDerWaalsContact O-N 3.11Å; L428-A621 HydrophobicContact CD2-CB 3.87Å |
| 622 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.2 | 164 | -67.7 | 0 | 0 | 0 | 0 | 110.3 | L331 W345 S386 R387 L389 I419 K420 I640 | L331-V622 HydrophobicContact CD2-CG1 4.26Å; L331-V622 HydrophobicContact CD2-CG2 3.47Å; L331-V622 VanDerWaalsContact CD2-CG2 3.47Å; W345-V622 HydrophobicContact CH2-CG2 4.29Å; S386-V622 CarbonylContact C-O 3.5Å; S386-V622 VanDerWaalsContact CA-O 3.23Å; S386-V622 WeakPolarHBondContact CA-O 3.33Å; S386-V622 WeakPolarHBondContact CB-O 3.29Å; R387-V622 PolarHBondContact N-O 3.24Å; R387-V622 PolarHBondContact O-N 2.84Å; L389-V622 HydrophobicContact CD1-CG1 4.06Å; I419-V622 HydrophobicContact CD1-CB 3.9Å; I419-V622 HydrophobicContact CD1-CG1 4.29Å; I419-V622 HydrophobicContact CD1-CG2 4.28Å; I419-V622 HydrophobicContact CG1-CB 4.24Å; K420-V622 CarbonylContact O-C 3.6Å; K420-V622 VanDerWaalsContact O-CA 3.24Å; K420-V622 WeakPolarHBondContact O-CA 3.11Å; V622-I640 HydrophobicContact CG1-CD1 3.39Å |
| 623 | G | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 153.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L385 K420 | L385-G623 CarbonylContact O-C 3.58Å; L385-G623 VanDerWaalsContact O-CA 3.24Å; L385-G623 WeakPolarHBondContact O-CA 3.41Å; K420-G623 PolarHBondContact N-O 2.94Å; K420-G623 PolarHBondContact O-N 3.48Å |
| 624 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.3 | 170 | -60.6 | -74 | 0 | 0 | 0 | 108.2 | W345 F357 I374 A384 L385 Y404 I419 F635 I638 | W345-F624 HydrophobicContact CH2-CD2 4.02Å; W345-F624 AromaticContact CH2-CE2 3.55Å; W345-F624 HydrophobicContact CH2-CE2 3.55Å; W345-F624 AromaticContact CZ3-CD2 3.83Å; W345-F624 HydrophobicContact CZ3-CD2 3.83Å; W345-F624 AromaticContact CZ3-CE2 3.87Å; W345-F624 HydrophobicContact CZ3-CE2 3.87Å; F357-F624 HydrophobicContact CZ-CB 4.19Å; I374-F624 HydrophobicContact CD1-CD2 4.23Å; I374-F624 HydrophobicContact CD1-CE2 4.05Å; A384-F624 CarbonylContact C-O 3.6Å; A384-F624 VanDerWaalsContact CA-O 3.23Å; A384-F624 WeakPolarHBondContact CA-O 3.5Å; L385-F624 PolarHBondContact N-O 2.85Å; L385-F624 PolarHBondContact O-N 3Å; Y404-F624 HydrophobicContact CE2-CE1 4.37Å; I419-F624 HydrophobicContact CB-CD1 4.17Å; I419-F624 HydrophobicContact CB-CE1 3.76Å; I419-F624 HydrophobicContact CB-CZ 4.44Å; I419-F624 HydrophobicContact CD1-CE1 3.97Å; I419-F624 HydrophobicContact CD1-CE2 4.38Å; I419-F624 HydrophobicContact CD1-CZ 3.77Å; I419-F624 HydrophobicContact CG1-CD1 4.17Å; I419-F624 HydrophobicContact CG1-CE1 3.8Å; I419-F624 HydrophobicContact CG1-CZ 4.08Å; F624-F635 AromaticContact CD1-CD1 3.98Å; F624-F635 HydrophobicContact CD1-CD1 3.98Å; F624-F635 AromaticContact CD1-CE1 3.91Å; F624-F635 HydrophobicContact CD1-CE1 3.91Å; F624-F635 HydrophobicContact CD1-CG 4.46Å; F624-F635 HydrophobicContact CD1-CZ 4.36Å; F624-F635 HydrophobicContact CE1-CB 4.42Å; F624-F635 AromaticContact CE1-CD1 3.39Å; F624-F635 HydrophobicContact CE1-CD1 3.39Å; F624-F635 AromaticContact CE1-CE1 3.73Å; F624-F635 HydrophobicContact CE1-CE1 3.73Å; F624-F635 AromaticContact CE1-CG 3.97Å; F624-F635 HydrophobicContact CE1-CG 3.97Å; F624-F635 HydrophobicContact CE2-CB 4.39Å; F624-F635 HydrophobicContact CE2-CG 4.5Å; F624-F635 HydrophobicContact CZ-CB 3.96Å; F624-F635 AromaticContact CZ-CD1 3.81Å; F624-F635 HydrophobicContact CZ-CD1 3.81Å; F624-F635 AromaticContact CZ-CG 3.99Å; F624-F635 HydrophobicContact CZ-CG 3.99Å; F624-I638 HydrophobicContact CE2-CD1 3.65Å; F624-I638 HydrophobicContact CZ-CD1 3.65Å; F624-I638 HydrophobicContact CZ-CG1 4.27Å |
| 625 | E | 97.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 100.7 | 166.3 | -173.6 | -78.5 | 120.2 | 0 | 0 | 107 | Y383 Y418 K420 F431 E433 | Y383-E625 CarbonylContact O-C 3.56Å; Y383-E625 WeakPolarHBondContact O-CA 3.49Å; Y418-E625 WeakPolarHBondContact CE2-O 3.48Å; Y418-E625 PolarHBondContact OH-O 2.74Å; K420-E625 HydrophobicContact CD-CB 4.38Å; K420-E625 IonicContact NZ-OE2 2.72Å; K420-E625 PolarHBondContact NZ-OE2 2.9Å; F431-E625 HydrophobicContact CE1-CB 3.74Å; F431-E625 HydrophobicContact CE2-CB 4.34Å; F431-E625 HydrophobicContact CZ-CB 3.6Å; E433-E625 WeakPolarHBondContact CA-OE2 3.06Å |
| 626 | I | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.5 | -168.4 | 58.6 | -180 | 0 | 0 | 0 | 111.4 | F357 T376 F382 Y383 Y418 F635 | F357-I626 HydrophobicContact CZ-CD1 4.48Å; T376-I626 HydrophobicContact CG2-CD1 4.27Å; F382-I626 CarbonylContact C-O 3.45Å; F382-I626 WeakPolarHBondContact CA-O 3.45Å; Y383-I626 HydrophobicContact CD2-CG1 4.49Å; Y383-I626 HydrophobicContact CG-CG1 4.46Å; Y383-I626 PolarHBondContact N-O 3.04Å; Y383-I626 PolarHBondContact O-N 3.4Å; Y418-I626 HydrophobicContact CD2-CG2 4.11Å; Y418-I626 HydrophobicContact CE1-CG2 4.32Å; Y418-I626 HydrophobicContact CE2-CG2 3.88Å; Y418-I626 HydrophobicContact CG-CG2 4.43Å; I626-F635 HydrophobicContact CD1-CE2 3.85Å; I626-F635 HydrophobicContact CD1-CZ 3.54Å |
| 627 | W | 96.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 21.7 Ų | 21.7 | 29% | 0.292 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.5 | 166.4 | 170.6 | -109.9 | 0 | 0 | 0 | 110.5 | A380 R381 F382 G415 G416 M629 | A380-W627 VanDerWaalsContact C-CZ3 3.47Å; A380-W627 HydrophobicContact CB-CH2 4.02Å; A380-W627 HydrophobicContact CB-CZ2 4.38Å; A380-W627 WeakPolarHBondContact O-CH2 3.48Å; R381-W627 VanDerWaalsContact C-CZ3 3.47Å; F382-W627 HydrophobicContact CB-CE3 4.48Å; F382-W627 HydrophobicContact CD1-CB 3.97Å; F382-W627 HydrophobicContact CD1-CE3 4Å; F382-W627 AromaticContact CD2-CE3 3.5Å; F382-W627 HydrophobicContact CD2-CE3 3.5Å; F382-W627 VanDerWaalsContact CD2-CE3 3.5Å; F382-W627 AromaticContact CD2-CZ3 3.7Å; F382-W627 HydrophobicContact CD2-CZ3 3.7Å; F382-W627 HydrophobicContact CE1-CB 3.81Å; F382-W627 HydrophobicContact CE1-CD2 4.41Å; F382-W627 HydrophobicContact CE1-CE3 4.02Å; F382-W627 HydrophobicContact CE1-CG 4.37Å; F382-W627 HydrophobicContact CE2-CD2 4.41Å; F382-W627 AromaticContact CE2-CE3 3.52Å; F382-W627 HydrophobicContact CE2-CE3 3.52Å; F382-W627 AromaticContact CE2-CZ3 3.72Å; F382-W627 HydrophobicContact CE2-CZ3 3.72Å; F382-W627 AromaticContact CG-CE3 3.74Å; F382-W627 HydrophobicContact CG-CE3 3.74Å; F382-W627 HydrophobicContact CG-CZ3 4.34Å; F382-W627 HydrophobicContact CZ-CB 4.48Å; F382-W627 HydrophobicContact CZ-CD2 4.28Å; F382-W627 AromaticContact CZ-CE3 3.78Å; F382-W627 HydrophobicContact CZ-CE3 3.78Å; F382-W627 HydrophobicContact CZ-CZ3 4.39Å; G415-W627 CarbonylContact C-O 3.58Å; G415-W627 WeakPolarHBondContact CA-O 3.3Å; G416-W627 PolarHBondContact N-O 3.41Å; W627-M629 HydrophobicContact CZ2-CG 4.49Å; W627-M629 HydrophobicContact CZ2-SD 3.45Å; W627-M629 WeakPolarHBondContact CZ2-SD 3.48Å |
| 628 | Q | 97 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 125.6 | 168.7 | -65.7 | -171 | -11.3 | 0 | 0 | 112.3 | T376 A380 R381 Y383 I412 G416 T633 | T376-Q628 VanDerWaalsContact CB-OE1 3.26Å; T376-Q628 VanDerWaalsContact CG2-OE1 3.27Å; T376-Q628 PolarHBondContact OG1-OE1 2.85Å; A380-Q628 VanDerWaalsContact CA-O 3.26Å; A380-Q628 WeakPolarHBondContact CA-O 3.33Å; A380-Q628 PolarHBondContact N-O 3.4Å; R381-Q628 PolarHBondContact N-O 2.87Å; R381-Q628 PolarHBondContact O-N 3.47Å; R381-Q628 VanDerWaalsContact O-N 3.08Å; Y383-Q628 HydrophobicContact CE2-CB 4.46Å; I412-Q628 HydrophobicContact CD1-CG 4.22Å; G416-Q628 PolarHBondContact O-NE2 2.84Å; Q628-T633 VanDerWaalsContact NE2-CB 3.32Å; Q628-T633 PolarHBondContact NE2-OG1 3Å; Q628-T633 PolarHBondContact OE1-OG1 3.32Å |
| 629 | M | 94.9 | Very high | 97.3 | Very high | 93 Ų | 93 | 14.5 Ų | 14.5 | 46% | 0.458 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -67.1 | -46 | 170.6 | -71.6 | -63.1 | -67 | 0 | 0 | 110.9 | N379 A380 C414 W627 | N379-M629 CarbonylContact C-O 3.53Å; N379-M629 WeakPolarHBondContact CA-O 3.24Å; N379-M629 VanDerWaalsContact CB-O 3.3Å; N379-M629 WeakPolarHBondContact CB-O 3.2Å; A380-M629 PolarHBondContact N-O 3.39Å; C414-M629 HydrophobicContact CB-CB 4.43Å; C414-M629 HydrophobicContact CB-CG 3.85Å; C414-M629 WeakPolarHBondContact O-CB 3.25Å; C414-M629 PolarHBondContact O-N 3.47Å; W627-M629 HydrophobicContact CZ2-CG 4.49Å; W627-M629 HydrophobicContact CZ2-SD 3.45Å; W627-M629 WeakPolarHBondContact CZ2-SD 3.48Å |
| 630 | K | 95.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 14.5 Ų | 14.5 | 32% | 0.317 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -119.9 | 116.4 | -179.9 | -166.5 | -176.2 | -169.9 | 177.1 | 0 | 110.1 | N379 Q410 | N379-K630 WeakPolarHBondContact OD1-CA 3.47Å; Q410-K630 HydrophobicContact CB-CD 4.19Å; Q410-K630 HydrophobicContact CB-CG 4.35Å; Q410-K630 HydrophobicContact CG-CB 4.35Å; Q410-K630 HydrophobicContact CG-CD 3.98Å; Q410-K630 HydrophobicContact CG-CG 3.97Å; Q410-K630 PolarHBondContact NE2-O 3.11Å; Q410-K630 WeakPolarHBondContact O-CD 3.49Å; Q410-K630 WeakPolarHBondContact O-CE 3.23Å; Q410-K630 PolarHBondContact O-NZ 2.89Å |
| 631 | C | 95.2 | Very high | 97.4 | Very high | 17 Ų | 17 | 14.4 Ų | 14.4 | 12% | 0.115 | 7% | 0.068 | C | C | . | . | trans | -74.4 | 162.8 | 179.7 | 71.8 | 0 | 0 | 0 | 0 | 112 | T376 S377 Q378 N379 Q410 | T376-C631 WeakPolarHBondContact O-CB 3.48Å; S377-C631 PolarHBondContact O-SG 2.84Å; Q378-C631 VanDerWaalsContact C-CB 3.47Å; Q378-C631 PolarHBondContact N-SG 3.13Å; Q378-C631 WeakPolarHBondContact O-CB 3.45Å; N379-C631 PolarHBondContact OD1-N 3.27Å; N379-C631 PolarHBondContact OD1-SG 2.95Å; Q410-C631 WeakPolarHBondContact CB-O 3.24Å; Q410-C631 VanDerWaalsContact CG-O 3.29Å; Q410-C631 WeakPolarHBondContact CG-O 3.41Å | ||
| 632 | G | 95.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 6% | 0.062 | 8% | 0.076 | C | C | . | . | trans | 130.9 | -3.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q375 T376 Q410 I634 | Q375-G632 PolarHBondContact NE2-O 3.32Å; T376-G632 PolarHBondContact O-N 3.3Å; T376-G632 VanDerWaalsContact O-N 3.09Å; T376-G632 PolarHBondContact OG1-N 3.35Å; Q410-G632 VanDerWaalsContact CD-C 3.46Å; Q410-G632 PolarHBondContact OE1-O 2.93Å; G632-I634 PolarHBondContact O-N 3.47Å | ||
| 633 | T | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.9 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | Q375 T376 V406 K407 H408 Q410 A417 Q628 F635 | Q375-T633 VanDerWaalsContact CA-O 3.24Å; Q375-T633 WeakPolarHBondContact CA-O 3.29Å; T376-T633 PolarHBondContact N-O 3.22Å; T376-T633 VanDerWaalsContact N-O 3.09Å; T376-T633 PolarHBondContact OG1-N 2.69Å; V406-T633 HydrophobicContact CG1-CG2 3.6Å; K407-T633 CarbonylContact O-C 3.5Å; K407-T633 WeakPolarHBondContact O-CA 3.23Å; H408-T633 PolarHBondContact CE1-OG1 2.79Å; H408-T633 WeakPolarHBondContact ND1-CG2 3.24Å; H408-T633 PolarHBondContact ND1-OG1 3.31Å; Q410-T633 PolarHBondContact NE2-OG1 3.4Å; A417-T633 HydrophobicContact CB-CG2 3.99Å; Q628-T633 VanDerWaalsContact NE2-CB 3.32Å; Q628-T633 PolarHBondContact NE2-OG1 3Å; Q628-T633 PolarHBondContact OE1-OG1 3.32Å; T633-F635 HydrophobicContact CG2-CD2 4.33Å; T633-F635 HydrophobicContact CG2-CE1 4.23Å; T633-F635 HydrophobicContact CG2-CE2 3.7Å; T633-F635 HydrophobicContact CG2-CZ 3.64Å |
| 634 | I | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 19.5 Ų | 19.5 | 5% | 0.046 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.6 | 177.6 | -56 | 171.7 | 0 | 0 | 0 | 108.8 | I374 Q375 V406 K407 G632 | I374-I634 CarbonylContact O-C 3.56Å; I374-I634 WeakPolarHBondContact O-CA 3.19Å; Q375-I634 HydrophobicContact CB-CG1 3.93Å; Q375-I634 HydrophobicContact CG-CG1 3.7Å; V406-I634 CarbonylContact C-O 3.55Å; V406-I634 WeakPolarHBondContact CA-O 3.44Å; K407-I634 HydrophobicContact CB-CB 4.32Å; K407-I634 HydrophobicContact CD-CD1 4.38Å; K407-I634 PolarHBondContact N-O 2.67Å; K407-I634 PolarHBondContact O-N 3.39Å; G632-I634 PolarHBondContact O-N 3.47Å |
| 635 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136 | 173.2 | -55.9 | -93.4 | 0 | 0 | 0 | 109.7 | F357 G373 I374 T376 Y404 S405 V406 A417 F624 I626 T633 | F357-F635 HydrophobicContact CE1-CD2 4.04Å; F357-F635 HydrophobicContact CE1-CE2 4.04Å; G373-F635 CarbonylContact C-O 3.56Å; G373-F635 VanDerWaalsContact CA-O 3.24Å; G373-F635 WeakPolarHBondContact CA-O 3.47Å; I374-F635 HydrophobicContact CG1-CB 3.99Å; I374-F635 PolarHBondContact N-O 3.27Å; I374-F635 PolarHBondContact O-N 2.89Å; T376-F635 HydrophobicContact CG2-CE2 4.28Å; Y404-F635 HydrophobicContact CD2-CD1 4.36Å; Y404-F635 HydrophobicContact CE2-CD1 4.21Å; S405-F635 WeakPolarHBondContact O-CA 3.28Å; V406-F635 HydrophobicContact CG1-CE1 4.43Å; V406-F635 HydrophobicContact CG2-CD1 3.97Å; V406-F635 HydrophobicContact CG2-CE1 4.12Å; A417-F635 HydrophobicContact CB-CE1 3.55Å; A417-F635 HydrophobicContact CB-CZ 3.62Å; F624-F635 AromaticContact CD1-CD1 3.98Å; F624-F635 HydrophobicContact CD1-CD1 3.98Å; F624-F635 AromaticContact CD1-CE1 3.91Å; F624-F635 HydrophobicContact CD1-CE1 3.91Å; F624-F635 HydrophobicContact CD1-CG 4.46Å; F624-F635 HydrophobicContact CD1-CZ 4.36Å; F624-F635 HydrophobicContact CE1-CB 4.42Å; F624-F635 AromaticContact CE1-CD1 3.39Å; F624-F635 HydrophobicContact CE1-CD1 3.39Å; F624-F635 AromaticContact CE1-CE1 3.73Å; F624-F635 HydrophobicContact CE1-CE1 3.73Å; F624-F635 AromaticContact CE1-CG 3.97Å; F624-F635 HydrophobicContact CE1-CG 3.97Å; F624-F635 HydrophobicContact CE2-CB 4.39Å; F624-F635 HydrophobicContact CE2-CG 4.5Å; F624-F635 HydrophobicContact CZ-CB 3.96Å; F624-F635 AromaticContact CZ-CD1 3.81Å; F624-F635 HydrophobicContact CZ-CD1 3.81Å; F624-F635 AromaticContact CZ-CG 3.99Å; F624-F635 HydrophobicContact CZ-CG 3.99Å; I626-F635 HydrophobicContact CD1-CE2 3.85Å; I626-F635 HydrophobicContact CD1-CZ 3.54Å; T633-F635 HydrophobicContact CG2-CD2 4.33Å; T633-F635 HydrophobicContact CG2-CE1 4.23Å; T633-F635 HydrophobicContact CG2-CE2 3.7Å; T633-F635 HydrophobicContact CG2-CZ 3.64Å |
| 636 | D | 97.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 169.7 | 179.9 | -169.1 | 19.4 | 0 | 0 | 0 | 111.5 | R334 M372 S405 I638 | R334-D636 WeakPolarHBondContact CA-OD1 3.42Å; M372-D636 VanDerWaalsContact O-CG 3.29Å; S405-D636 PolarHBondContact N-O 2.53Å; S405-D636 PolarHBondContact O-N 3.45Å; S405-D636 PolarHBondContact OG-O 3.31Å; D636-I638 PolarHBondContact O-N 3.05Å |
| 637 | N | 97.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.7 | 42.9 | 172.4 | -53.5 | -69.8 | 0 | 0 | 0 | 113.8 | E333 Y404 S405 L639 T654 | E333-N637 CarbonylContact O-C 3.55Å; E333-N637 WeakPolarHBondContact O-CA 3.3Å; E333-N637 PolarHBondContact O-N 3.45Å; Y404-N637 WeakPolarHBondContact CA-O 3.48Å; S405-N637 PolarHBondContact OG-ND2 3.12Å; N637-L639 PolarHBondContact O-N 3.44Å; N637-T654 WeakPolarHBondContact OD1-CG2 3.2Å |
| 638 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 115.2 | -176.9 | -54.8 | 159.4 | 0 | 0 | 0 | 108.9 | L331 Y332 E333 F335 W345 Q403 I419 F624 D636 | L331-I638 HydrophobicContact CD2-CG2 3.97Å; Y332-I638 CarbonylContact C-O 3.57Å; Y332-I638 VanDerWaalsContact CA-O 3.31Å; Y332-I638 WeakPolarHBondContact CA-O 3.41Å; E333-I638 HydrophobicContact CB-CB 4.28Å; E333-I638 PolarHBondContact N-O 2.83Å; E333-I638 PolarHBondContact O-N 3.14Å; F335-I638 HydrophobicContact CE2-CD1 4.02Å; F335-I638 HydrophobicContact CZ-CD1 4Å; W345-I638 HydrophobicContact CH2-CD1 3.64Å; W345-I638 HydrophobicContact CZ2-CD1 3.58Å; Q403-I638 CarbonylContact O-C 3.56Å; Q403-I638 WeakPolarHBondContact O-CA 3.43Å; I419-I638 HydrophobicContact CD1-CG2 3.81Å; F624-I638 HydrophobicContact CE2-CD1 3.65Å; F624-I638 HydrophobicContact CZ-CD1 3.65Å; F624-I638 HydrophobicContact CZ-CG1 4.27Å; D636-I638 PolarHBondContact O-N 3.05Å |
| 639 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.2 | -173.3 | 174.7 | 68.7 | 0 | 0 | 0 | 110.5 | V329 L331 Y332 L402 Q403 N637 T641 F646 A647 V650 | V329-L639 HydrophobicContact CG1-CD1 4.03Å; L331-L639 CarbonylContact O-C 3.5Å; L331-L639 WeakPolarHBondContact O-CA 3.49Å; Y332-L639 HydrophobicContact CD2-CB 4.38Å; Y332-L639 HydrophobicContact CD2-CD1 4.25Å; Y332-L639 HydrophobicContact CG-CD1 4.23Å; L402-L639 WeakPolarHBondContact CA-O 3.38Å; Q403-L639 HydrophobicContact CB-CB 4.29Å; Q403-L639 HydrophobicContact CB-CD2 4.48Å; Q403-L639 PolarHBondContact N-O 2.92Å; Q403-L639 PolarHBondContact O-N 3.38Å; N637-L639 PolarHBondContact O-N 3.44Å; L639-T641 HydrophobicContact CD1-CG2 4.44Å; L639-T641 HydrophobicContact CD2-CG2 4.11Å; L639-T641 HydrophobicContact CG-CG2 4.16Å; L639-F646 HydrophobicContact CD1-CD1 4.28Å; L639-F646 HydrophobicContact CD1-CE1 3.85Å; L639-F646 HydrophobicContact CD2-CD1 4.33Å; L639-F646 HydrophobicContact CD2-CE1 4.44Å; L639-A647 HydrophobicContact CD2-CB 3.94Å; L639-V650 HydrophobicContact CD2-CB 4.09Å; L639-V650 HydrophobicContact CD2-CG1 4.22Å; L639-V650 HydrophobicContact CD2-CG2 4.09Å |
| 640 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.3 | 162.8 | -62.7 | 179.1 | 0 | 0 | 0 | 108.8 | Y330 L331 L389 F393 F400 V401 L402 V622 | Y330-I640 HydrophobicContact CD2-CG2 4.27Å; Y330-I640 PolarHBondContact N-O 3.13Å; L331-I640 HydrophobicContact CB-CB 4.22Å; L331-I640 HydrophobicContact CD2-CD1 4.49Å; L331-I640 PolarHBondContact N-O 2.78Å; L331-I640 PolarHBondContact O-N 3.1Å; L389-I640 HydrophobicContact CD1-CD1 4Å; L389-I640 HydrophobicContact CD2-CD1 4.12Å; L389-I640 HydrophobicContact CD2-CG2 4.41Å; L389-I640 HydrophobicContact CG-CD1 4.27Å; F393-I640 HydrophobicContact CD1-CG2 4.14Å; F400-I640 HydrophobicContact CE2-CG2 4.1Å; V401-I640 VanDerWaalsContact O-CA 3.31Å; V401-I640 WeakPolarHBondContact O-CA 3.48Å; L402-I640 HydrophobicContact CD1-CD1 4.35Å; L402-I640 HydrophobicContact CD1-CG1 3.94Å; V622-I640 HydrophobicContact CG1-CD1 3.39Å |
| 641 | T | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 166.4 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | N328 V401 L639 D643 F646 A647 | N328-T641 WeakPolarHBondContact O-CA 3.09Å; N328-T641 WeakPolarHBondContact O-CB 3.5Å; N328-T641 PolarHBondContact O-OG1 3.38Å; V401-T641 HydrophobicContact CB-CG2 3.84Å; V401-T641 WeakPolarHBondContact CB-O 3.46Å; V401-T641 HydrophobicContact CG1-CG2 4.26Å; V401-T641 HydrophobicContact CG2-CG2 4.39Å; V401-T641 PolarHBondContact N-O 3.35Å; V401-T641 PolarHBondContact O-N 3.29Å; V401-T641 VanDerWaalsContact O-N 3.11Å; L639-T641 HydrophobicContact CD1-CG2 4.44Å; L639-T641 HydrophobicContact CD2-CG2 4.11Å; L639-T641 HydrophobicContact CG-CG2 4.16Å; T641-D643 WeakPolarHBondContact CG2-O 3.5Å; T641-D643 PolarHBondContact OG1-N 3.03Å; T641-F646 HydrophobicContact CG2-CD1 4.36Å; T641-A647 HydrophobicContact CG2-CB 4.26Å |
| 642 | D | 96.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -98.8 | 3.3 | 168.1 | 62.3 | 0.9 | 0 | 0 | 0 | 113.8 | N328 Y330 F393 T399 P644 | N328-D642 WeakPolarHBondContact CB-OD1 3.13Å; N328-D642 PolarHBondContact N-OD1 3.07Å; N328-D642 PolarHBondContact ND2-OD2 3.16Å; N328-D642 PolarHBondContact O-N 2.93Å; Y330-D642 HydrophobicContact CE2-CB 4.03Å; Y330-D642 PolarHBondContact OH-OD2 3.23Å; F393-D642 HydrophobicContact CE2-CB 4.41Å; F393-D642 HydrophobicContact CZ-CB 4.19Å; T399-D642 WeakPolarHBondContact O-CA 3.36Å; T399-D642 VanDerWaalsContact O-CB 3.25Å; T399-D642 WeakPolarHBondContact O-CB 3.24Å; D642-P644 WeakPolarHBondContact O-CD 3.39Å |
| 643 | D | 96.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 21% | 0.214 | 16% | 0.163 | C | C | . | . | trans | -114.3 | 106.4 | -177.2 | -173.4 | -9.3 | 0 | 0 | 0 | 112.8 | P327 T641 Q645 F646 A647 | P327-D643 HydrophobicContact CB-CB 3.78Å; T641-D643 WeakPolarHBondContact CG2-O 3.5Å; T641-D643 PolarHBondContact OG1-N 3.03Å; D643-Q645 VanDerWaalsContact C-N 3.3Å; D643-Q645 PolarHBondContact O-N 2.63Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.49Å; D643-Q645 WeakPolarHBondContact OD1-CB 3.2Å; D643-Q645 PolarHBondContact OD1-N 2.86Å; D643-F646 HydrophobicContact CB-CB 3.84Å; D643-F646 PolarHBondContact O-N 3.26Å; D643-F646 PolarHBondContact OD1-N 2.81Å; D643-A647 PolarHBondContact O-N 2.82Å; D643-A647 VanDerWaalsContact O-N 3.13Å | ||
| 644 | P | 96 | Very high | 96.5 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.5 | -35 | 173.2 | -27.6 | 36.6 | 0 | 0 | 0 | 115 | T399 V401 M483 F485 D642 A647 E648 | T399-P644 HydrophobicContact CG2-CG 3.9Å; V401-P644 HydrophobicContact CG2-CG 4.08Å; M483-P644 HydrophobicContact CE-CB 4.01Å; M483-P644 HydrophobicContact SD-CB 3.97Å; M483-P644 HydrophobicContact SD-CG 4.37Å; F485-P644 HydrophobicContact CE1-CG 4.1Å; D642-P644 WeakPolarHBondContact O-CD 3.39Å; P644-A647 PolarHBondContact O-N 2.82Å; P644-E648 PolarHBondContact O-N 3.5Å |
| 645 | Q | 95.7 | Very high | 96.3 | Very high | 152 Ų | 152 | 34.5 Ų | 34.5 | 71% | 0.71 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -71.5 | -37.2 | -179.4 | -61.3 | -178.8 | 15.5 | 0 | 0 | 110.8 | D643 E648 K649 | D643-Q645 VanDerWaalsContact C-N 3.3Å; D643-Q645 PolarHBondContact O-N 2.63Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.49Å; D643-Q645 WeakPolarHBondContact OD1-CB 3.2Å; D643-Q645 PolarHBondContact OD1-N 2.86Å; Q645-E648 PolarHBondContact O-N 2.75Å; Q645-K649 WeakPolarHBondContact O-CB 3.27Å; Q645-K649 PolarHBondContact O-N 3.31Å |
| 646 | F | 96.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 173 | -175.5 | -108 | 0 | 0 | 0 | 111.6 | P327 V329 L639 T641 D643 E648 K649 V650 | P327-F646 HydrophobicContact CB-CB 3.73Å; P327-F646 HydrophobicContact CB-CD1 4.38Å; P327-F646 HydrophobicContact CB-CD2 4.14Å; P327-F646 HydrophobicContact CB-CG 3.82Å; P327-F646 HydrophobicContact CG-CB 3.99Å; P327-F646 HydrophobicContact CG-CD1 4.41Å; P327-F646 HydrophobicContact CG-CD2 3.47Å; P327-F646 VanDerWaalsContact CG-CD2 3.47Å; P327-F646 HydrophobicContact CG-CE2 4.02Å; P327-F646 HydrophobicContact CG-CG 3.69Å; V329-F646 HydrophobicContact CG2-CD1 3.91Å; V329-F646 HydrophobicContact CG2-CE1 3.35Å; V329-F646 HydrophobicContact CG2-CZ 3.84Å; L639-F646 HydrophobicContact CD1-CD1 4.28Å; L639-F646 HydrophobicContact CD1-CE1 3.85Å; L639-F646 HydrophobicContact CD2-CD1 4.33Å; L639-F646 HydrophobicContact CD2-CE1 4.44Å; T641-F646 HydrophobicContact CG2-CD1 4.36Å; D643-F646 HydrophobicContact CB-CB 3.84Å; D643-F646 PolarHBondContact O-N 3.26Å; D643-F646 PolarHBondContact OD1-N 2.81Å; F646-E648 PolarHBondContact O-N 3.14Å; F646-K649 WeakPolarHBondContact O-CB 3.32Å; F646-K649 PolarHBondContact O-N 3.31Å; F646-V650 HydrophobicContact CD1-CG2 4.21Å; F646-V650 HydrophobicContact CE1-CG2 3.76Å; F646-V650 HydrophobicContact CE2-CG2 4.26Å; F646-V650 HydrophobicContact CZ-CG2 3.8Å; F646-V650 WeakPolarHBondContact O-CG2 3.47Å; F646-V650 PolarHBondContact O-N 2.87Å |
| 647 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V401 Q403 L639 T641 D643 P644 V650 A651 | V401-A647 HydrophobicContact CG1-CB 3.64Å; Q403-A647 PolarHBondContact NE2-O 3.21Å; Q403-A647 PolarHBondContact OE1-O 2.82Å; L639-A647 HydrophobicContact CD2-CB 3.94Å; T641-A647 HydrophobicContact CG2-CB 4.26Å; D643-A647 PolarHBondContact O-N 2.82Å; D643-A647 VanDerWaalsContact O-N 3.13Å; P644-A647 PolarHBondContact O-N 2.82Å; A647-V650 PolarHBondContact O-N 2.94Å; A647-A651 PolarHBondContact O-N 3.2Å |
| 648 | E | 97 | Very high | 95.4 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 173.8 | 177.8 | 176.6 | -170.6 | 0 | 0 | 111.7 | P644 Q645 F646 V650 A651 N652 | P644-E648 PolarHBondContact O-N 3.5Å; Q645-E648 PolarHBondContact O-N 2.75Å; F646-E648 PolarHBondContact O-N 3.14Å; E648-V650 VanDerWaalsContact C-N 3.35Å; E648-V650 PolarHBondContact O-N 2.92Å; E648-A651 PolarHBondContact O-N 2.87Å; E648-N652 WeakPolarHBondContact O-CB 3.04Å; E648-N652 PolarHBondContact O-N 2.96Å; E648-N652 PolarHBondContact O-ND2 2.72Å |
| 649 | K | 95.8 | Very high | 95 | Very high | 107 Ų | 107 | 45.5 Ų | 45.5 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.1 | -47.7 | 175.2 | -179 | -175.2 | 172.5 | -173.3 | 0 | 111.4 | Q645 F646 A651 N652 E653 | Q645-K649 WeakPolarHBondContact O-CB 3.27Å; Q645-K649 PolarHBondContact O-N 3.31Å; F646-K649 WeakPolarHBondContact O-CB 3.32Å; F646-K649 PolarHBondContact O-N 3.31Å; K649-A651 PolarHBondContact O-N 2.94Å; K649-N652 PolarHBondContact O-N 3.01Å; K649-E653 WeakPolarHBondContact CE-OE1 3.44Å; K649-E653 HydrophobicContact CG-CG 4.46Å; K649-E653 IonicContact NZ-OE1 2.69Å; K649-E653 WeakPolarHBondContact O-CG 3.05Å; K649-E653 PolarHBondContact O-N 3.13Å |
| 650 | V | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 178.3 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | Y332 L639 F646 A647 E648 N652 E653 T654 | Y332-V650 HydrophobicContact CE1-CG2 4.46Å; Y332-V650 HydrophobicContact CE2-CG1 3.87Å; Y332-V650 WeakPolarHBondContact OH-CG1 3.49Å; L639-V650 HydrophobicContact CD2-CB 4.09Å; L639-V650 HydrophobicContact CD2-CG1 4.22Å; L639-V650 HydrophobicContact CD2-CG2 4.09Å; F646-V650 HydrophobicContact CD1-CG2 4.21Å; F646-V650 HydrophobicContact CE1-CG2 3.76Å; F646-V650 HydrophobicContact CE2-CG2 4.26Å; F646-V650 HydrophobicContact CZ-CG2 3.8Å; F646-V650 WeakPolarHBondContact O-CG2 3.47Å; F646-V650 PolarHBondContact O-N 2.87Å; A647-V650 PolarHBondContact O-N 2.94Å; E648-V650 VanDerWaalsContact C-N 3.35Å; E648-V650 PolarHBondContact O-N 2.92Å; V650-N652 VanDerWaalsContact C-N 3.27Å; V650-N652 PolarHBondContact O-N 2.74Å; V650-E653 PolarHBondContact O-N 3.24Å; V650-T654 HydrophobicContact CG1-CG2 4.29Å; V650-T654 WeakPolarHBondContact O-CB 3.44Å; V650-T654 WeakPolarHBondContact O-CG2 3.43Å; V650-T654 PolarHBondContact O-N 3.38Å; V650-T654 PolarHBondContact O-OG1 3.36Å |
| 651 | A | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -34.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V479 Q496 A647 E648 K649 W655 R656 | V479-A651 HydrophobicContact CG1-CB 4.38Å; Q496-A651 HydrophobicContact CG-CB 3.87Å; A647-A651 PolarHBondContact O-N 3.2Å; E648-A651 PolarHBondContact O-N 2.87Å; K649-A651 PolarHBondContact O-N 2.94Å; A651-W655 PolarHBondContact O-N 2.95Å; A651-R656 PolarHBondContact O-N 3.11Å |
| 652 | N | 94.6 | Very high | 93.7 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -69.3 | -43.3 | 176.5 | -77.6 | -36.9 | 0 | 0 | 0 | 112.7 | E648 K649 V650 K657 | E648-N652 WeakPolarHBondContact O-CB 3.04Å; E648-N652 PolarHBondContact O-N 2.96Å; E648-N652 PolarHBondContact O-ND2 2.72Å; K649-N652 PolarHBondContact O-N 3.01Å; V650-N652 VanDerWaalsContact C-N 3.27Å; V650-N652 PolarHBondContact O-N 2.74Å; N652-K657 PolarHBondContact O-N 3.26Å |
| 653 | E | 92.4 | Very high | 93.4 | Very high | 106 Ų | 106 | 55.2 Ų | 55.2 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -74.2 | -27.6 | -178.8 | -71.5 | 178.3 | 170.8 | 0 | 0 | 113.3 | K649 V650 K657 | K649-E653 WeakPolarHBondContact CE-OE1 3.44Å; K649-E653 HydrophobicContact CG-CG 4.46Å; K649-E653 IonicContact NZ-OE1 2.69Å; K649-E653 WeakPolarHBondContact O-CG 3.05Å; K649-E653 PolarHBondContact O-N 3.13Å; V650-E653 PolarHBondContact O-N 3.24Å; E653-K657 WeakPolarHBondContact O-CD 3.36Å |
| 654 | T | 93.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -96.8 | -75.6 | -178.6 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | N637 V650 Y658 | N637-T654 WeakPolarHBondContact OD1-CG2 3.2Å; V650-T654 HydrophobicContact CG1-CG2 4.29Å; V650-T654 WeakPolarHBondContact O-CB 3.44Å; V650-T654 WeakPolarHBondContact O-CG2 3.43Å; V650-T654 PolarHBondContact O-N 3.38Å; V650-T654 PolarHBondContact O-OG1 3.36Å; T654-Y658 WeakPolarHBondContact O-CD2 3.16Å |
| 655 | W | 94.5 | Very high | 92.4 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -76.6 | -52.4 | -172.2 | 167.7 | 82.2 | 0 | 0 | 0 | 113.7 | T477 V479 D495 Q496 A651 K657 Y658 V659 | T477-W655 PolarHBondContact O-NE1 3.06Å; V479-W655 HydrophobicContact CG2-CB 3.35Å; V479-W655 HydrophobicContact CG2-CD2 3.79Å; V479-W655 HydrophobicContact CG2-CE3 4.26Å; V479-W655 HydrophobicContact CG2-CG 3.37Å; D495-W655 HydrophobicContact CB-CH2 3.42Å; D495-W655 VanDerWaalsContact CB-CH2 3.42Å; D495-W655 HydrophobicContact CB-CZ2 3.65Å; D495-W655 HydrophobicContact CB-CZ3 4.16Å; Q496-W655 HydrophobicContact CG-CZ3 4.49Å; A651-W655 PolarHBondContact O-N 2.95Å; W655-K657 PolarHBondContact O-N 3.2Å; W655-Y658 PolarHBondContact O-N 3.01Å; W655-V659 HydrophobicContact CZ2-CB 4.29Å; W655-V659 HydrophobicContact CZ2-CG1 4.31Å; W655-V659 HydrophobicContact CZ2-CG2 4.03Å; W655-V659 PolarHBondContact O-N 3.19Å |
| 656 | R | 94.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 51.8 Ų | 51.8 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -60.9 | -36 | -172.2 | -174.6 | 57.9 | -92.2 | -172.2 | -8.9 | 112.2 | A651 Y658 D660 | A651-R656 PolarHBondContact O-N 3.11Å; R656-Y658 PolarHBondContact O-N 3.1Å; R656-D660 IonicContact NH2-OD1 2.72Å; R656-D660 PolarHBondContact NH2-OD1 2.91Å; R656-D660 IonicContact NH2-OD2 3.34Å; R656-D660 PolarHBondContact NH2-OD2 2.85Å |
| 657 | K | 89 | Confident | 91.7 | Very high | 125 Ų | 125 | 54.6 Ų | 54.6 | 54% | 0.543 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.1 | 175.1 | -173.8 | -178.3 | 178.1 | -167.2 | 0 | 113.1 | N652 E653 W655 | N652-K657 PolarHBondContact O-N 3.26Å; E653-K657 WeakPolarHBondContact O-CD 3.36Å; W655-K657 PolarHBondContact O-N 3.2Å |
| 658 | Y | 90.6 | Very high | 91 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 7% | 0.071 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -19.2 | -168.2 | -69.4 | -47.5 | 0 | 0 | 0 | 115.2 | A366 N367 D370 T654 W655 R656 D660 L661 E662 | A366-Y658 HydrophobicContact CB-CD1 3.66Å; A366-Y658 HydrophobicContact CB-CG 3.88Å; N367-Y658 HydrophobicContact CB-CD1 4.34Å; N367-Y658 HydrophobicContact CB-CE1 3.84Å; N367-Y658 HydrophobicContact CB-CE2 4.33Å; N367-Y658 PolarHBondContact ND2-OH 3.46Å; D370-Y658 HydrophobicContact CB-CD2 4.24Å; D370-Y658 HydrophobicContact CB-CE2 3.42Å; D370-Y658 VanDerWaalsContact CB-CE2 3.42Å; D370-Y658 WeakPolarHBondContact OD2-CE2 3.46Å; D370-Y658 PolarHBondContact OD2-OH 3.2Å; T654-Y658 WeakPolarHBondContact O-CD2 3.16Å; W655-Y658 PolarHBondContact O-N 3.01Å; R656-Y658 PolarHBondContact O-N 3.1Å; Y658-D660 VanDerWaalsContact C-N 3.34Å; Y658-D660 PolarHBondContact O-N 2.9Å; Y658-L661 HydrophobicContact CD1-CD1 4.35Å; Y658-L661 CarbonylContact O-C 3.58Å; Y658-L661 WeakPolarHBondContact O-CB 3.45Å; Y658-L661 PolarHBondContact O-N 3.36Å; Y658-L661 VanDerWaalsContact O-N 3.08Å; Y658-E662 PolarHBondContact O-N 3.29Å |
| 659 | V | 89.9 | Confident | 90.6 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -38.7 | -173 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | W655 E662 K663 | W655-V659 HydrophobicContact CZ2-CB 4.29Å; W655-V659 HydrophobicContact CZ2-CG1 4.31Å; W655-V659 HydrophobicContact CZ2-CG2 4.03Å; W655-V659 PolarHBondContact O-N 3.19Å; V659-E662 PolarHBondContact O-N 3.44Å; V659-K663 WeakPolarHBondContact O-CG 3.28Å; V659-K663 PolarHBondContact O-N 3.48Å |
| 660 | D | 88.3 | Confident | 90.3 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.6 | -35.9 | 178.4 | -60.2 | -37.6 | 0 | 0 | 0 | 111.9 | R656 Y658 K663 L664 | R656-D660 IonicContact NH2-OD1 2.72Å; R656-D660 PolarHBondContact NH2-OD1 2.91Å; R656-D660 IonicContact NH2-OD2 3.34Å; R656-D660 PolarHBondContact NH2-OD2 2.85Å; Y658-D660 VanDerWaalsContact C-N 3.34Å; Y658-D660 PolarHBondContact O-N 2.9Å; D660-K663 PolarHBondContact O-N 3.01Å; D660-L664 PolarHBondContact O-N 2.86Å; D660-L664 VanDerWaalsContact O-N 3.11Å |
| 661 | L | 86.8 | Confident | 89.8 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.1 | -38 | 173.2 | -72.4 | 173.8 | 0 | 0 | 0 | 111 | I191 A366 Y658 K663 L664 R665 | I191-L661 HydrophobicContact CD1-CD2 4.34Å; A366-L661 HydrophobicContact CB-CB 3.72Å; Y658-L661 HydrophobicContact CD1-CD1 4.35Å; Y658-L661 CarbonylContact O-C 3.58Å; Y658-L661 WeakPolarHBondContact O-CB 3.45Å; Y658-L661 PolarHBondContact O-N 3.36Å; Y658-L661 VanDerWaalsContact O-N 3.08Å; L661-K663 VanDerWaalsContact C-N 3.35Å; L661-L664 WeakPolarHBondContact O-CB 3.22Å; L661-L664 PolarHBondContact O-N 3.3Å; L661-R665 WeakPolarHBondContact O-CB 3.33Å; L661-R665 WeakPolarHBondContact O-CG 3.37Å; L661-R665 PolarHBondContact O-N 2.65Å |
| 662 | E | 91 | Very high | 89.1 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 174.7 | -177.9 | 179.1 | -123.4 | 0 | 0 | 111.2 | Y364 K407 F476 T477 Y658 V659 L664 R665 F666 | Y364-E662 HydrophobicContact CD2-CG 4.11Å; Y364-E662 HydrophobicContact CE2-CG 4.2Å; K407-E662 WeakPolarHBondContact CD-OE1 3.4Å; K407-E662 VanDerWaalsContact CE-OE1 3.23Å; K407-E662 WeakPolarHBondContact CE-OE1 3.35Å; K407-E662 IonicContact NZ-OE1 3.81Å; K407-E662 PolarHBondContact NZ-OE1 3.38Å; F476-E662 HydrophobicContact CD1-CG 4.26Å; T477-E662 PolarHBondContact N-OE2 3.43Å; T477-E662 PolarHBondContact OG1-OE1 3.11Å; T477-E662 PolarHBondContact OG1-OE2 3.04Å; Y658-E662 PolarHBondContact O-N 3.29Å; V659-E662 PolarHBondContact O-N 3.44Å; E662-L664 VanDerWaalsContact C-N 3.32Å; E662-L664 PolarHBondContact O-N 2.65Å; E662-R665 WeakPolarHBondContact O-CB 3.19Å; E662-R665 PolarHBondContact O-N 3.24Å; E662-F666 WeakPolarHBondContact O-CB 3.32Å; E662-F666 PolarHBondContact O-N 3.09Å |
| 663 | K | 90 | Very high | 88.7 | Confident | 88 Ų | 88 | 65.7 Ų | 65.7 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 174.5 | -72.6 | 175.4 | 179.5 | -179.2 | 0 | 112.1 | F476 V659 D660 L661 F666 N667 | F476-K663 HydrophobicContact CD1-CG 3.98Å; F476-K663 HydrophobicContact CD2-CG 4.31Å; F476-K663 HydrophobicContact CE1-CB 4.31Å; F476-K663 HydrophobicContact CE1-CG 3.74Å; F476-K663 HydrophobicContact CE2-CG 4.11Å; F476-K663 HydrophobicContact CG-CG 4.28Å; F476-K663 HydrophobicContact CZ-CB 4.5Å; F476-K663 HydrophobicContact CZ-CG 3.83Å; V659-K663 WeakPolarHBondContact O-CG 3.28Å; V659-K663 PolarHBondContact O-N 3.48Å; D660-K663 PolarHBondContact O-N 3.01Å; L661-K663 VanDerWaalsContact C-N 3.35Å; K663-F666 PolarHBondContact O-N 2.97Å; K663-N667 PolarHBondContact O-N 3.01Å; K663-N667 PolarHBondContact O-ND2 3.17Å |
| 664 | L | 85.5 | Confident | 88.7 | Confident | 80 Ų | 80 | 67 Ų | 67 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 174 | -178.1 | 66 | 0 | 0 | 0 | 111.5 | D660 L661 E662 F666 N667 E668 | D660-L664 PolarHBondContact O-N 2.86Å; D660-L664 VanDerWaalsContact O-N 3.11Å; L661-L664 WeakPolarHBondContact O-CB 3.22Å; L661-L664 PolarHBondContact O-N 3.3Å; E662-L664 VanDerWaalsContact C-N 3.32Å; E662-L664 PolarHBondContact O-N 2.65Å; L664-F666 VanDerWaalsContact C-N 3.3Å; L664-F666 PolarHBondContact O-N 3.22Å; L664-N667 WeakPolarHBondContact O-CB 3.49Å; L664-N667 PolarHBondContact O-N 3.25Å; L664-N667 VanDerWaalsContact O-N 3.16Å; L664-E668 PolarHBondContact O-N 3.34Å; L664-E668 VanDerWaalsContact O-N 3.07Å |
| 665 | R | 86.2 | Confident | 88.5 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 179.2 | -68.7 | -72.4 | -171.8 | -148.5 | 2.5 | 113 | S194 F365 L661 E662 E668 Y669 | S194-R665 PolarHBondContact O-NH1 2.99Å; S194-R665 PolarHBondContact O-NH2 3.37Å; S194-R665 PolarHBondContact OG-NH2 3.29Å; F365-R665 VanDerWaalsContact O-CG 3.32Å; F365-R665 WeakPolarHBondContact O-CG 3.26Å; L661-R665 WeakPolarHBondContact O-CB 3.33Å; L661-R665 WeakPolarHBondContact O-CG 3.37Å; L661-R665 PolarHBondContact O-N 2.65Å; E662-R665 WeakPolarHBondContact O-CB 3.19Å; E662-R665 PolarHBondContact O-N 3.24Å; R665-E668 WeakPolarHBondContact CD-OE2 3.47Å; R665-E668 IonicContact CZ-OE2 3.77Å; R665-E668 IonicContact NE-OE2 3.34Å; R665-E668 IonicContact NH1-OE1 2.75Å; R665-E668 IonicContact NH1-OE2 3.07Å; R665-E668 PolarHBondContact NH1-OE2 2.65Å; R665-E668 PolarHBondContact O-N 3.46Å; R665-Y669 WeakPolarHBondContact O-CB 3.45Å; R665-Y669 PolarHBondContact O-N 3.35Å |
| 666 | F | 90.8 | Very high | 88.1 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.6 | 178.1 | -112.4 | 0 | 0 | 0 | 111.7 | Y364 F476 E662 K663 L664 Y669 L670 | Y364-F666 AromaticContact CD1-CD2 3.89Å; Y364-F666 HydrophobicContact CD1-CD2 3.89Å; Y364-F666 HydrophobicContact CD2-CB 3.79Å; Y364-F666 HydrophobicContact CD2-CD2 4.03Å; Y364-F666 HydrophobicContact CD2-CG 4.39Å; Y364-F666 AromaticContact CE1-CD2 3.56Å; Y364-F666 HydrophobicContact CE1-CD2 3.56Å; Y364-F666 AromaticContact CE1-CE2 4Å; Y364-F666 HydrophobicContact CE1-CE2 4Å; Y364-F666 HydrophobicContact CE2-CB 3.98Å; Y364-F666 AromaticContact CE2-CD2 3.72Å; Y364-F666 HydrophobicContact CE2-CD2 3.72Å; Y364-F666 HydrophobicContact CE2-CG 4.21Å; Y364-F666 HydrophobicContact CG-CB 4.26Å; Y364-F666 HydrophobicContact CG-CD2 4.12Å; Y364-F666 AromaticContact CZ-CD2 3.47Å; Y364-F666 VanDerWaalsContact CZ-CD2 3.47Å; Y364-F666 AromaticContact CZ-CE2 4Å; F476-F666 HydrophobicContact CE1-CB 3.68Å; F476-F666 AromaticContact CE1-CD1 3.72Å; F476-F666 HydrophobicContact CE1-CD1 3.72Å; F476-F666 HydrophobicContact CE1-CE1 4.47Å; F476-F666 AromaticContact CE1-CG 3.73Å; F476-F666 HydrophobicContact CE1-CG 3.73Å; F476-F666 HydrophobicContact CZ-CB 4.43Å; F476-F666 AromaticContact CZ-CD1 3.66Å; F476-F666 HydrophobicContact CZ-CD1 3.66Å; F476-F666 HydrophobicContact CZ-CE1 4.13Å; F476-F666 HydrophobicContact CZ-CG 4.16Å; E662-F666 WeakPolarHBondContact O-CB 3.32Å; E662-F666 PolarHBondContact O-N 3.09Å; K663-F666 PolarHBondContact O-N 2.97Å; L664-F666 VanDerWaalsContact C-N 3.3Å; L664-F666 PolarHBondContact O-N 3.22Å; F666-Y669 HydrophobicContact CD2-CD1 4.43Å; F666-Y669 WeakPolarHBondContact O-CB 3.01Å; F666-Y669 PolarHBondContact O-N 3.02Å; F666-L670 HydrophobicContact CD1-CD1 4.07Å; F666-L670 HydrophobicContact CD1-CG 4.47Å; F666-L670 HydrophobicContact CD2-CG 4.49Å; F666-L670 HydrophobicContact CE1-CD1 3.49Å; F666-L670 VanDerWaalsContact CE1-CD1 3.49Å; F666-L670 HydrophobicContact CE1-CG 4.14Å; F666-L670 HydrophobicContact CE2-CD1 4.33Å; F666-L670 HydrophobicContact CE2-CD2 4.19Å; F666-L670 HydrophobicContact CE2-CG 4.15Å; F666-L670 HydrophobicContact CZ-CD1 3.65Å; F666-L670 HydrophobicContact CZ-CD2 4.12Å; F666-L670 HydrophobicContact CZ-CG 3.97Å; F666-L670 WeakPolarHBondContact O-CG 3.4Å; F666-L670 PolarHBondContact O-N 3.26Å |
| 667 | N | 85.2 | Confident | 87.9 | Confident | 96 Ų | 96 | 80.2 Ų | 80.2 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.2 | -68.5 | -26.2 | 0 | 0 | 0 | 111.8 | K663 L664 Y669 L670 E671 | K663-N667 PolarHBondContact O-N 3.01Å; K663-N667 PolarHBondContact O-ND2 3.17Å; L664-N667 WeakPolarHBondContact O-CB 3.49Å; L664-N667 PolarHBondContact O-N 3.25Å; L664-N667 VanDerWaalsContact O-N 3.16Å; N667-Y669 VanDerWaalsContact C-N 3.33Å; N667-Y669 PolarHBondContact O-N 2.79Å; N667-L670 PolarHBondContact O-N 2.72Å; N667-E671 PolarHBondContact O-N 2.86Å |
| 668 | E | 83.8 | Confident | 88 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 173.8 | -68.5 | 176.8 | 167.8 | 0 | 0 | 111.7 | L664 R665 E671 K672 | L664-E668 PolarHBondContact O-N 3.34Å; L664-E668 VanDerWaalsContact O-N 3.07Å; R665-E668 WeakPolarHBondContact CD-OE2 3.47Å; R665-E668 IonicContact CZ-OE2 3.77Å; R665-E668 IonicContact NE-OE2 3.34Å; R665-E668 IonicContact NH1-OE1 2.75Å; R665-E668 IonicContact NH1-OE2 3.07Å; R665-E668 PolarHBondContact NH1-OE2 2.65Å; R665-E668 PolarHBondContact O-N 3.46Å; E668-E671 PolarHBondContact O-N 2.69Å; E668-K672 WeakPolarHBondContact O-CB 3.4Å; E668-K672 PolarHBondContact O-N 3.39Å |
| 669 | Y | 87.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.3 | 165.4 | -101.3 | 0 | 0 | 0 | 112.1 | R363 Y364 R665 F666 N667 E671 K672 K673 | R363-Y669 HydrophobicContact CB-CD2 4.37Å; R363-Y669 HydrophobicContact CB-CE2 3.92Å; R363-Y669 WeakPolarHBondContact CD-OH 3.2Å; R363-Y669 PolarHBondContact NH1-OH 3.06Å; Y364-Y669 AromaticContact CD1-CD1 3.91Å; Y364-Y669 HydrophobicContact CD1-CD1 3.91Å; Y364-Y669 HydrophobicContact CD1-CE1 4.31Å; Y364-Y669 HydrophobicContact CD1-CG 4.2Å; Y364-Y669 HydrophobicContact CE1-CD1 4.49Å; R665-Y669 WeakPolarHBondContact O-CB 3.45Å; R665-Y669 PolarHBondContact O-N 3.35Å; F666-Y669 HydrophobicContact CD2-CD1 4.43Å; F666-Y669 WeakPolarHBondContact O-CB 3.01Å; F666-Y669 PolarHBondContact O-N 3.02Å; N667-Y669 VanDerWaalsContact C-N 3.33Å; N667-Y669 PolarHBondContact O-N 2.79Å; Y669-E671 VanDerWaalsContact C-N 3.35Å; Y669-K672 PolarHBondContact O-N 3.21Å; Y669-K673 WeakPolarHBondContact O-CB 3.27Å; Y669-K673 PolarHBondContact O-N 3.27Å |
| 670 | L | 88.8 | Confident | 87.9 | Confident | 78 Ų | 78 | 86.3 Ų | 86.3 | 41% | 0.408 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.2 | -72.2 | -175 | 0 | 0 | 0 | 111.7 | F666 N667 K673 R674 | F666-L670 HydrophobicContact CD1-CD1 4.07Å; F666-L670 HydrophobicContact CD1-CG 4.47Å; F666-L670 HydrophobicContact CD2-CG 4.49Å; F666-L670 HydrophobicContact CE1-CD1 3.49Å; F666-L670 VanDerWaalsContact CE1-CD1 3.49Å; F666-L670 HydrophobicContact CE1-CG 4.14Å; F666-L670 HydrophobicContact CE2-CD1 4.33Å; F666-L670 HydrophobicContact CE2-CD2 4.19Å; F666-L670 HydrophobicContact CE2-CG 4.15Å; F666-L670 HydrophobicContact CZ-CD1 3.65Å; F666-L670 HydrophobicContact CZ-CD2 4.12Å; F666-L670 HydrophobicContact CZ-CG 3.97Å; F666-L670 WeakPolarHBondContact O-CG 3.4Å; F666-L670 PolarHBondContact O-N 3.26Å; N667-L670 PolarHBondContact O-N 2.72Å; L670-K673 PolarHBondContact O-N 2.85Å; L670-R674 WeakPolarHBondContact O-CB 3.46Å; L670-R674 PolarHBondContact O-N 3.21Å |
| 671 | E | 85.8 | Confident | 88.1 | Confident | 84 Ų | 84 | 86 Ų | 86 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 177 | -172 | 178.1 | -175.9 | 0 | 0 | 111.6 | N667 E668 Y669 K673 R674 R675 | N667-E671 PolarHBondContact O-N 2.86Å; E668-E671 PolarHBondContact O-N 2.69Å; Y669-E671 VanDerWaalsContact C-N 3.35Å; E671-K673 VanDerWaalsContact C-N 3.28Å; E671-K673 PolarHBondContact O-N 3.08Å; E671-R674 PolarHBondContact O-N 3.07Å; E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.21Å; E671-R675 IonicContact OE1-CZ 2.77Å; E671-R675 IonicContact OE1-NE 2.81Å; E671-R675 PolarHBondContact OE1-NE 2.78Å; E671-R675 IonicContact OE1-NH2 3.1Å; E671-R675 PolarHBondContact OE1-NH2 2.83Å |
| 672 | K | 81.9 | Confident | 88.3 | Confident | 101 Ų | 101 | 88.3 Ų | 88.3 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 175.9 | -171.4 | 174.2 | -176.4 | 174.3 | 0 | 111.3 | E199 E668 Y669 R676 | E199-K672 IonicContact OE2-NZ 3.97Å; E668-K672 WeakPolarHBondContact O-CB 3.4Å; E668-K672 PolarHBondContact O-N 3.39Å; Y669-K672 PolarHBondContact O-N 3.21Å; K672-R676 WeakPolarHBondContact O-CB 3.38Å; K672-R676 VanDerWaalsContact O-CG 3.31Å; K672-R676 WeakPolarHBondContact O-CG 3.23Å; K672-R676 PolarHBondContact O-N 2.78Å |
| 673 | K | 87.5 | Confident | 88.1 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.3 | -172.2 | 179.4 | 178.7 | -176.3 | 0 | 112 | Y669 L670 E671 R676 K677 | Y669-K673 WeakPolarHBondContact O-CB 3.27Å; Y669-K673 PolarHBondContact O-N 3.27Å; L670-K673 PolarHBondContact O-N 2.85Å; E671-K673 VanDerWaalsContact C-N 3.28Å; E671-K673 PolarHBondContact O-N 3.08Å; K673-R676 PolarHBondContact O-N 2.88Å; K673-K677 PolarHBondContact O-N 3.32Å |
| 674 | R | 91.2 | Very high | 88.2 | Confident | 133 Ų | 133 | 93 Ų | 93 | 50% | 0.502 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 175.4 | -175.3 | -178.1 | 67.9 | 94.8 | -3 | 111.1 | L670 E671 R676 K677 E678 | L670-R674 WeakPolarHBondContact O-CB 3.46Å; L670-R674 PolarHBondContact O-N 3.21Å; E671-R674 PolarHBondContact O-N 3.07Å; R674-R676 VanDerWaalsContact C-N 3.34Å; R674-R676 PolarHBondContact O-N 3.35Å; R674-K677 WeakPolarHBondContact O-CB 3.4Å; R674-K677 PolarHBondContact O-N 3.41Å; R674-K677 VanDerWaalsContact O-N 3.11Å; R674-E678 WeakPolarHBondContact CG-OE1 3.13Å; R674-E678 IonicContact CZ-OE1 3.76Å; R674-E678 IonicContact CZ-OE2 3.87Å; R674-E678 IonicContact NE-OE1 2.99Å; R674-E678 IonicContact NH1-OE1 2.64Å; R674-E678 PolarHBondContact NH1-OE1 2.98Å; R674-E678 IonicContact NH1-OE2 3.36Å; R674-E678 PolarHBondContact NH1-OE2 3.22Å; R674-E678 WeakPolarHBondContact O-CG 3.18Å; R674-E678 PolarHBondContact O-N 3.39Å |
| 675 | R | 89 | Confident | 88.4 | Confident | 109 Ų | 109 | 95 Ų | 95 | 41% | 0.411 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 177.7 | -69.5 | 179.9 | -175.5 | -163.2 | 2.9 | 112.2 | E671 K677 E678 M679 | E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.21Å; E671-R675 IonicContact OE1-CZ 2.77Å; E671-R675 IonicContact OE1-NE 2.81Å; E671-R675 PolarHBondContact OE1-NE 2.78Å; E671-R675 IonicContact OE1-NH2 3.1Å; E671-R675 PolarHBondContact OE1-NH2 2.83Å; R675-K677 VanDerWaalsContact C-N 3.34Å; R675-K677 PolarHBondContact O-N 2.92Å; R675-E678 PolarHBondContact O-N 2.92Å; R675-M679 WeakPolarHBondContact O-CB 3.15Å; R675-M679 VanDerWaalsContact O-CG 3.29Å; R675-M679 WeakPolarHBondContact O-CG 3.35Å; R675-M679 PolarHBondContact O-N 2.82Å |
| 676 | R | 86.8 | Confident | 88.4 | Confident | 162 Ų | 162 | 97.6 Ų | 97.6 | 61% | 0.611 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 175.3 | -77.6 | 175.5 | 175.3 | -174.9 | -3.6 | 112.6 | K672 K673 R674 A680 | K672-R676 WeakPolarHBondContact O-CB 3.38Å; K672-R676 VanDerWaalsContact O-CG 3.31Å; K672-R676 WeakPolarHBondContact O-CG 3.23Å; K672-R676 PolarHBondContact O-N 2.78Å; K673-R676 PolarHBondContact O-N 2.88Å; R674-R676 VanDerWaalsContact C-N 3.34Å; R674-R676 PolarHBondContact O-N 3.35Å; R676-A680 VanDerWaalsContact O-CB 3.31Å; R676-A680 WeakPolarHBondContact O-CB 3.19Å; R676-A680 PolarHBondContact O-N 3.48Å |
| 677 | K | 90.7 | Very high | 88.1 | Confident | 135 Ų | 135 | 102.1 Ų | 102.1 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 176.4 | -175.2 | 179 | 170.4 | -175.6 | 0 | 111.2 | K673 R674 R675 A680 E681 | K673-K677 PolarHBondContact O-N 3.32Å; R674-K677 WeakPolarHBondContact O-CB 3.4Å; R674-K677 PolarHBondContact O-N 3.41Å; R674-K677 VanDerWaalsContact O-N 3.11Å; R675-K677 VanDerWaalsContact C-N 3.34Å; R675-K677 PolarHBondContact O-N 2.92Å; K677-A680 PolarHBondContact O-N 2.83Å; K677-E681 WeakPolarHBondContact CE-OE1 3.38Å; K677-E681 IonicContact NZ-OE1 3.75Å; K677-E681 WeakPolarHBondContact O-CB 3.46Å; K677-E681 WeakPolarHBondContact O-CG 3.41Å; K677-E681 PolarHBondContact O-N 3.42Å |
| 678 | E | 90.3 | Very high | 88.2 | Confident | 86 Ų | 86 | 104.9 Ų | 104.9 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 176.6 | -72 | 167 | -178.5 | 0 | 0 | 111.9 | R674 R675 A680 E681 E682 | R674-E678 WeakPolarHBondContact CG-OE1 3.13Å; R674-E678 IonicContact CZ-OE1 3.76Å; R674-E678 IonicContact CZ-OE2 3.87Å; R674-E678 IonicContact NE-OE1 2.99Å; R674-E678 IonicContact NH1-OE1 2.64Å; R674-E678 PolarHBondContact NH1-OE1 2.98Å; R674-E678 IonicContact NH1-OE2 3.36Å; R674-E678 PolarHBondContact NH1-OE2 3.22Å; R674-E678 WeakPolarHBondContact O-CG 3.18Å; R674-E678 PolarHBondContact O-N 3.39Å; R675-E678 PolarHBondContact O-N 2.92Å; E678-A680 VanDerWaalsContact C-N 3.34Å; E678-A680 PolarHBondContact O-N 2.97Å; E678-E681 PolarHBondContact O-N 2.91Å; E678-E682 WeakPolarHBondContact O-CB 3.46Å; E678-E682 PolarHBondContact O-N 2.97Å |
| 679 | M | 88.8 | Confident | 88.2 | Confident | 139 Ų | 139 | 106.7 Ų | 106.7 | 69% | 0.685 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 175.2 | -70 | 175.2 | 71 | 0 | 0 | 112.5 | R675 A683 | R675-M679 WeakPolarHBondContact O-CB 3.15Å; R675-M679 VanDerWaalsContact O-CG 3.29Å; R675-M679 WeakPolarHBondContact O-CG 3.35Å; R675-M679 PolarHBondContact O-N 2.82Å; M679-A683 VanDerWaalsContact O-CB 3.3Å; M679-A683 WeakPolarHBondContact O-CB 3.18Å; M679-A683 PolarHBondContact O-N 3.04Å |
| 680 | A | 90.3 | Very high | 87.9 | Confident | 50 Ų | 50 | 110 Ų | 110 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.1 | -34.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R676 K677 E678 K684 | R676-A680 VanDerWaalsContact O-CB 3.31Å; R676-A680 WeakPolarHBondContact O-CB 3.19Å; R676-A680 PolarHBondContact O-N 3.48Å; K677-A680 PolarHBondContact O-N 2.83Å; E678-A680 VanDerWaalsContact C-N 3.34Å; E678-A680 PolarHBondContact O-N 2.97Å; A680-K684 WeakPolarHBondContact O-CB 3.45Å; A680-K684 VanDerWaalsContact O-CG 3.28Å; A680-K684 WeakPolarHBondContact O-CG 3.48Å; A680-K684 PolarHBondContact O-N 3.08Å; A680-K684 VanDerWaalsContact O-N 3.11Å |
| 681 | E | 91.8 | Very high | 87.5 | Confident | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | 173.1 | -75.6 | 174.1 | -176.5 | 0 | 0 | 111.5 | K677 E678 K684 K685 | K677-E681 WeakPolarHBondContact CE-OE1 3.38Å; K677-E681 IonicContact NZ-OE1 3.75Å; K677-E681 WeakPolarHBondContact O-CB 3.46Å; K677-E681 WeakPolarHBondContact O-CG 3.41Å; K677-E681 PolarHBondContact O-N 3.42Å; E678-E681 PolarHBondContact O-N 2.91Å; E681-K684 PolarHBondContact O-N 3.32Å; E681-K685 WeakPolarHBondContact O-CG 3.39Å; E681-K685 PolarHBondContact O-N 2.76Å |
| 682 | E | 90.3 | Very high | 87.2 | Confident | 91 Ų | 91 | 108.8 Ų | 108.8 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 175.3 | -173.9 | 57.8 | -155.6 | 0 | 0 | 111.8 | E678 K684 K685 Q686 | E678-E682 WeakPolarHBondContact O-CB 3.46Å; E678-E682 PolarHBondContact O-N 2.97Å; E682-K684 VanDerWaalsContact C-N 3.3Å; E682-K684 PolarHBondContact O-N 2.86Å; E682-K685 WeakPolarHBondContact O-CB 3.38Å; E682-K685 PolarHBondContact O-N 3.38Å; E682-K685 VanDerWaalsContact O-N 3.08Å; E682-Q686 WeakPolarHBondContact O-CG 3.18Å; E682-Q686 PolarHBondContact O-N 3.42Å; E682-Q686 PolarHBondContact OE1-NE2 3.36Å; E682-Q686 VanDerWaalsContact OE1-NE2 3.14Å |
| 683 | A | 88.6 | Confident | 86.9 | Confident | 53 Ų | 53 | 108.5 Ų | 108.5 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | M679 K685 Q686 E687 | M679-A683 VanDerWaalsContact O-CB 3.3Å; M679-A683 WeakPolarHBondContact O-CB 3.18Å; M679-A683 PolarHBondContact O-N 3.04Å; A683-K685 VanDerWaalsContact C-N 3.34Å; A683-K685 PolarHBondContact O-N 3.49Å; A683-Q686 PolarHBondContact O-N 2.84Å; A683-E687 WeakPolarHBondContact O-CB 3.26Å; A683-E687 PolarHBondContact O-N 3.45Å |
| 684 | K | 91.4 | Very high | 86.2 | Confident | 136 Ų | 136 | 105.1 Ų | 105.1 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -31.1 | 174.5 | -77.2 | 176.8 | -179.4 | -176.3 | 0 | 113.2 | A680 E681 E682 K688 | A680-K684 WeakPolarHBondContact O-CB 3.45Å; A680-K684 VanDerWaalsContact O-CG 3.28Å; A680-K684 WeakPolarHBondContact O-CG 3.48Å; A680-K684 PolarHBondContact O-N 3.08Å; A680-K684 VanDerWaalsContact O-N 3.11Å; E681-K684 PolarHBondContact O-N 3.32Å; E682-K684 VanDerWaalsContact C-N 3.3Å; E682-K684 PolarHBondContact O-N 2.86Å; K684-K688 VanDerWaalsContact O-CG 3.31Å; K684-K688 WeakPolarHBondContact O-CG 3.48Å; K684-K688 PolarHBondContact O-N 3.26Å |
| 685 | K | 90.5 | Very high | 85.4 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.8 | -47.4 | 173.8 | -74.1 | 176.8 | -176.5 | 176.7 | 0 | 110.8 | E681 E682 A683 E687 K688 E689 | E681-K685 WeakPolarHBondContact O-CG 3.39Å; E681-K685 PolarHBondContact O-N 2.76Å; E682-K685 WeakPolarHBondContact O-CB 3.38Å; E682-K685 PolarHBondContact O-N 3.38Å; E682-K685 VanDerWaalsContact O-N 3.08Å; A683-K685 VanDerWaalsContact C-N 3.34Å; A683-K685 PolarHBondContact O-N 3.49Å; K685-E687 VanDerWaalsContact C-N 3.31Å; K685-E687 PolarHBondContact O-N 2.71Å; K685-K688 WeakPolarHBondContact O-CB 3.4Å; K685-K688 PolarHBondContact O-N 3.3Å; K685-K688 VanDerWaalsContact O-N 3.13Å; K685-E689 PolarHBondContact O-N 2.87Å |
| 686 | Q | 85.5 | Confident | 84.4 | Confident | 98 Ų | 98 | 106.5 Ų | 106.5 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 176.6 | -68.9 | 176.5 | 10.7 | 0 | 0 | 111.8 | E682 A683 E689 I690 | E682-Q686 WeakPolarHBondContact O-CG 3.18Å; E682-Q686 PolarHBondContact O-N 3.42Å; E682-Q686 PolarHBondContact OE1-NE2 3.36Å; E682-Q686 VanDerWaalsContact OE1-NE2 3.14Å; A683-Q686 PolarHBondContact O-N 2.84Å; Q686-E689 PolarHBondContact O-N 2.72Å; Q686-I690 VanDerWaalsContact O-CG1 3.25Å; Q686-I690 WeakPolarHBondContact O-CG1 3.47Å; Q686-I690 PolarHBondContact O-N 2.93Å |
| 687 | E | 85.1 | Confident | 83.4 | Confident | 128 Ų | 128 | 103 Ų | 103 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 174.2 | -171.2 | 175.4 | -167.5 | 0 | 0 | 111.8 | A683 K685 I690 V691 | A683-E687 WeakPolarHBondContact O-CB 3.26Å; A683-E687 PolarHBondContact O-N 3.45Å; K685-E687 VanDerWaalsContact C-N 3.31Å; K685-E687 PolarHBondContact O-N 2.71Å; E687-I690 PolarHBondContact O-N 2.89Å; E687-V691 VanDerWaalsContact O-CG2 3.3Å; E687-V691 WeakPolarHBondContact O-CG2 3.14Å; E687-V691 PolarHBondContact O-N 2.59Å |
| 688 | K | 87.1 | Confident | 82.2 | Confident | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.665 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 173.8 | -74.2 | 177.6 | 178.8 | -170.7 | 0 | 113 | K684 K685 V691 T692 | K684-K688 VanDerWaalsContact O-CG 3.31Å; K684-K688 WeakPolarHBondContact O-CG 3.48Å; K684-K688 PolarHBondContact O-N 3.26Å; K685-K688 WeakPolarHBondContact O-CB 3.4Å; K685-K688 PolarHBondContact O-N 3.3Å; K685-K688 VanDerWaalsContact O-N 3.13Å; K688-V691 PolarHBondContact O-N 2.64Å; K688-T692 WeakPolarHBondContact O-CB 3.3Å; K688-T692 WeakPolarHBondContact O-CG2 3.1Å; K688-T692 PolarHBondContact O-N 2.8Å; K688-T692 PolarHBondContact O-OG1 3.32Å |
| 689 | E | 82.4 | Confident | 80.8 | Confident | 118 Ų | 118 | 103.3 Ų | 103.3 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.3 | -39.1 | 175.4 | -76 | 177.8 | -177.5 | 0 | 0 | 111.8 | K685 Q686 T692 N693 | K685-E689 PolarHBondContact O-N 2.87Å; Q686-E689 PolarHBondContact O-N 2.72Å; E689-T692 VanDerWaalsContact CA-OG1 3.3Å; E689-T692 WeakPolarHBondContact CA-OG1 3.11Å; E689-T692 PolarHBondContact O-OG1 3.02Å; E689-T692 VanDerWaalsContact O-OG1 3.08Å; E689-N693 VanDerWaalsContact O-CB 3.3Å; E689-N693 WeakPolarHBondContact O-CB 3.27Å; E689-N693 PolarHBondContact O-N 2.86Å; E689-N693 PolarHBondContact O-ND2 3.33Å |
| 690 | I | 82.2 | Confident | 79.4 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 174.7 | -67.8 | 163.9 | 0 | 0 | 0 | 110.9 | Q686 E687 A694 | Q686-I690 VanDerWaalsContact O-CG1 3.25Å; Q686-I690 WeakPolarHBondContact O-CG1 3.47Å; Q686-I690 PolarHBondContact O-N 2.93Å; E687-I690 PolarHBondContact O-N 2.89Å; I690-A694 WeakPolarHBondContact O-CB 3.26Å; I690-A694 PolarHBondContact O-N 3.26Å |
| 691 | V | 81.4 | Confident | 77.7 | Confident | 76 Ų | 76 | 109.1 Ų | 109.1 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | E687 K688 A694 E695 | E687-V691 VanDerWaalsContact O-CG2 3.3Å; E687-V691 WeakPolarHBondContact O-CG2 3.14Å; E687-V691 PolarHBondContact O-N 2.59Å; K688-V691 PolarHBondContact O-N 2.64Å; V691-A694 PolarHBondContact O-N 3.03Å; V691-E695 WeakPolarHBondContact O-CG 3.45Å; V691-E695 PolarHBondContact O-N 3.21Å |
| 692 | T | 79.3 | Confident | 76.1 | Confident | 59 Ų | 59 | 110 Ų | 110 | 36% | 0.362 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 178.2 | 45.9 | 0 | 0 | 0 | 0 | 112.1 | K688 E689 A694 E695 Y696 | K688-T692 WeakPolarHBondContact O-CB 3.3Å; K688-T692 WeakPolarHBondContact O-CG2 3.1Å; K688-T692 PolarHBondContact O-N 2.8Å; K688-T692 PolarHBondContact O-OG1 3.32Å; E689-T692 VanDerWaalsContact CA-OG1 3.3Å; E689-T692 WeakPolarHBondContact CA-OG1 3.11Å; E689-T692 PolarHBondContact O-OG1 3.02Å; E689-T692 VanDerWaalsContact O-OG1 3.08Å; T692-A694 VanDerWaalsContact C-N 3.33Å; T692-A694 PolarHBondContact O-N 2.79Å; T692-E695 WeakPolarHBondContact O-CB 3.37Å; T692-E695 PolarHBondContact O-N 2.87Å; T692-Y696 WeakPolarHBondContact O-CD2 3.46Å; T692-Y696 PolarHBondContact O-N 2.88Å |
| 693 | N | 75.9 | Confident | 74.7 | Confident | 95 Ų | 95 | 111.2 Ų | 111.2 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 175.6 | -71.6 | -22.6 | 0 | 0 | 0 | 112.3 | E689 E695 Y696 D697 | E689-N693 VanDerWaalsContact O-CB 3.3Å; E689-N693 WeakPolarHBondContact O-CB 3.27Å; E689-N693 PolarHBondContact O-N 2.86Å; E689-N693 PolarHBondContact O-ND2 3.33Å; N693-E695 VanDerWaalsContact C-N 3.33Å; N693-E695 PolarHBondContact O-N 2.75Å; N693-Y696 PolarHBondContact O-N 3.49Å; N693-D697 WeakPolarHBondContact O-CB 3.47Å; N693-D697 PolarHBondContact O-N 2.94Å |
| 694 | A | 72.4 | Confident | 73.3 | Confident | 46 Ų | 46 | 114.7 Ų | 114.7 | 38% | 0.38 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.2 | -32.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I690 V691 T692 N698 | I690-A694 WeakPolarHBondContact O-CB 3.26Å; I690-A694 PolarHBondContact O-N 3.26Å; V691-A694 PolarHBondContact O-N 3.03Å; T692-A694 VanDerWaalsContact C-N 3.33Å; T692-A694 PolarHBondContact O-N 2.79Å; A694-N698 VanDerWaalsContact O-CG 3.32Å; A694-N698 PolarHBondContact O-N 3.12Å; A694-N698 VanDerWaalsContact O-N 3.17Å; A694-N698 PolarHBondContact O-ND2 3.14Å |
| 695 | E | 72.9 | Confident | 71.5 | Confident | 116 Ų | 116 | 116.4 Ų | 116.4 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.6 | -44 | 171.9 | -72.4 | 171.4 | 171.2 | 0 | 0 | 111.4 | V691 T692 N693 N698 E699 | V691-E695 WeakPolarHBondContact O-CG 3.45Å; V691-E695 PolarHBondContact O-N 3.21Å; T692-E695 WeakPolarHBondContact O-CB 3.37Å; T692-E695 PolarHBondContact O-N 2.87Å; N693-E695 VanDerWaalsContact C-N 3.33Å; N693-E695 PolarHBondContact O-N 2.75Å; E695-N698 PolarHBondContact O-N 3.28Å; E695-E699 PolarHBondContact O-N 2.78Å |
| 696 | Y | 69.1 | Low | 69.4 | Low | 155 Ų | 155 | 120.3 Ų | 120.3 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.2 | -41.2 | 174.6 | -84.4 | -75.3 | 0 | 0 | 0 | 112.9 | T692 N693 E699 Q700 | T692-Y696 WeakPolarHBondContact O-CD2 3.46Å; T692-Y696 PolarHBondContact O-N 2.88Å; N693-Y696 PolarHBondContact O-N 3.49Å; Y696-E699 PolarHBondContact O-N 3.21Å; Y696-Q700 WeakPolarHBondContact O-CB 3.18Å; Y696-Q700 PolarHBondContact O-N 3.04Å |
| 697 | D | 65.6 | Low | 68.6 | Low | 90 Ų | 90 | 121.4 Ų | 121.4 | 48% | 0.481 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65 | -40.5 | 177.8 | -75.6 | -18.1 | 0 | 0 | 0 | 110.8 | N693 Q700 W701 | N693-D697 WeakPolarHBondContact O-CB 3.47Å; N693-D697 PolarHBondContact O-N 2.94Å; D697-Q700 PolarHBondContact O-N 3.16Å; D697-W701 PolarHBondContact O-N 2.97Å |
| 698 | N | 64.3 | Low | 67.7 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 57% | 0.567 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 175.2 | -73.3 | -35.1 | 0 | 0 | 0 | 112.1 | A694 E695 Q700 W701 D702 | A694-N698 VanDerWaalsContact O-CG 3.32Å; A694-N698 PolarHBondContact O-N 3.12Å; A694-N698 VanDerWaalsContact O-N 3.17Å; A694-N698 PolarHBondContact O-ND2 3.14Å; E695-N698 PolarHBondContact O-N 3.28Å; N698-Q700 VanDerWaalsContact C-N 3.29Å; N698-Q700 PolarHBondContact O-N 2.75Å; N698-W701 PolarHBondContact O-N 3.13Å; N698-D702 PolarHBondContact O-N 3.21Å |
| 699 | E | 62.1 | Low | 66.6 | Low | 121 Ų | 121 | 119.3 Ų | 119.3 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.7 | -32.1 | 174.9 | -75.5 | -174.1 | 174.6 | 0 | 0 | 112.6 | E695 Y696 N703 | E695-E699 PolarHBondContact O-N 2.78Å; Y696-E699 PolarHBondContact O-N 3.21Å; E699-N703 WeakPolarHBondContact O-CB 3.48Å; E699-N703 PolarHBondContact O-N 3.33Å; E699-N703 PolarHBondContact O-ND2 3.36Å |
| 700 | Q | 59.9 | Low | 65.7 | Low | 119 Ų | 119 | 119.4 Ų | 119.4 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -79.1 | -28.7 | 178.7 | -163.8 | 167.5 | 10 | 0 | 0 | 112.8 | Y696 D697 N698 N704 | Y696-Q700 WeakPolarHBondContact O-CB 3.18Å; Y696-Q700 PolarHBondContact O-N 3.04Å; D697-Q700 PolarHBondContact O-N 3.16Å; N698-Q700 VanDerWaalsContact C-N 3.29Å; N698-Q700 PolarHBondContact O-N 2.75Å; Q700-N704 PolarHBondContact O-N 2.72Å; Q700-N704 PolarHBondContact O-ND2 3.35Å |
| 701 | W | 54.6 | Low | 64.6 | Low | 192 Ų | 192 | 119.2 Ų | 119.2 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.9 | -42.7 | 171.2 | -79.6 | 56.8 | 0 | 0 | 0 | 111.2 | D697 N698 N703 N704 E705 | D697-W701 PolarHBondContact O-N 2.97Å; N698-W701 PolarHBondContact O-N 3.13Å; W701-N703 VanDerWaalsContact C-N 3.25Å; W701-N703 PolarHBondContact O-N 3.14Å; W701-N704 PolarHBondContact O-N 2.94Å; W701-N704 VanDerWaalsContact O-N 3.16Å; W701-E705 PolarHBondContact O-N 3.07Å |
| 702 | D | 58.1 | Low | 63.5 | Low | 114 Ų | 114 | 122.1 Ų | 122.1 | 61% | 0.61 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.5 | -29.1 | 176.8 | -76.1 | -12.8 | 0 | 0 | 0 | 112.7 | N698 | N698-D702 PolarHBondContact O-N 3.21Å |
| 703 | N | 59.7 | Low | 62.4 | Low | 115 Ų | 115 | 126.6 Ų | 126.6 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -11.5 | 177 | -75.9 | -49.1 | 0 | 0 | 0 | 114.7 | E699 W701 | E699-N703 WeakPolarHBondContact O-CB 3.48Å; E699-N703 PolarHBondContact O-N 3.33Å; E699-N703 PolarHBondContact O-ND2 3.36Å; W701-N703 VanDerWaalsContact C-N 3.25Å; W701-N703 PolarHBondContact O-N 3.14Å |
| 704 | N | 59.6 | Low | 61.4 | Low | 127 Ų | 127 | 129 Ų | 129 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -5.9 | 176.3 | -78.8 | -33.6 | 0 | 0 | 0 | 113.4 | Q700 W701 | Q700-N704 PolarHBondContact O-N 2.72Å; Q700-N704 PolarHBondContact O-ND2 3.35Å; W701-N704 PolarHBondContact O-N 2.94Å; W701-N704 VanDerWaalsContact O-N 3.16Å |
| 705 | E | 54.7 | Low | 60.4 | Low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 65% | 0.652 | S | S | * | * | trans | -96.7 | 8 | 171.8 | -75 | -163.4 | 158.2 | 0 | 0 | 114.2 | W701 | W701-E705 PolarHBondContact O-N 3.07Š| ||
| 706 | L | 44.7 | Very low | 59.3 | Low | 205 Ų | 205 | 137.7 Ų | 137.7 | 100% | 1.073 | 66% | 0.662 | S | S | * | * | trans | -106.2 | 0 | 168.3 | -78.3 | 162.8 | 0 | 0 | 0 | 110.9 |
Retrieved 706 of 706 residues in 202.5 ms
(Link to these results)