| 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 | 29.4 | Very low | 43.8 | Very low | 219 Ų | 219 | 127 Ų | 127 | 100% | 1.079 | 69% | 0.688 | S | S | * | * | 0 | 126.9 | 0 | -79.1 | 174.2 | 171.4 | 0 | 0 | 107 | E3 | M1-E3 PolarHBondContact O-N 3.2Š| |||
| 2 | R | 23.1 | Very low | 46.5 | Very low | 239 Ų | 239 | 125 Ų | 125 | 90% | 0.902 | 68% | 0.683 | S | S | * | * | trans | -46.2 | 120.8 | -174.6 | -81.4 | 176.4 | 175.2 | 171 | -3.1 | 110.8 | T4 | R2-T4 PolarHBondContact O-N 3.38Š| ||
| 3 | E | 27 | Very low | 49 | Very low | 190 Ų | 190 | 118.5 Ų | 118.5 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | trans | -63.3 | 77.4 | 161.2 | -65 | 177.6 | 160.9 | 0 | 0 | 107.4 | M1 G5 | M1-E3 PolarHBondContact O-N 3.2Å; E3-G5 PolarHBondContact O-N 3.3Å | ||
| 4 | T | 31.1 | Very low | 51.1 | Low | 91 Ų | 91 | 114.3 Ų | 114.3 | 56% | 0.558 | 63% | 0.632 | S | S | * | * | trans | -51.8 | 125.3 | 155.5 | 47.9 | 0 | 0 | 0 | 0 | 105.3 | R2 K6 | R2-T4 PolarHBondContact O-N 3.38Å; T4-K6 WeakPolarHBondContact O-CG 3.39Å; T4-K6 PolarHBondContact O-N 2.97Å | ||
| 5 | G | 29.7 | Very low | 53.1 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 87% | 0.866 | 61% | 0.606 | S | S | * | * | trans | -57.1 | 62.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | E3 S7 | E3-G5 PolarHBondContact O-N 3.3Å; G5-S7 PolarHBondContact O-N 2.86Å; G5-S7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | K | 40.7 | Very low | 55 | Low | 105 Ų | 105 | 109 Ų | 109 | 46% | 0.457 | 60% | 0.597 | S | S | . | * | trans | -67.6 | 107.5 | 178 | -76.5 | 178.3 | -178.6 | -173.9 | 0 | 105.5 | T4 Q8 Y292 | T4-K6 WeakPolarHBondContact O-CG 3.39Å; T4-K6 PolarHBondContact O-N 2.97Å; K6-Q8 PolarHBondContact O-N 3.37Å; K6-Y292 PolarHBondContact NZ-OH 3.34Å | ||
| 7 | S | 43.5 | Very low | 56.6 | Low | 66 Ų | 66 | 105.3 Ų | 105.3 | 46% | 0.462 | 58% | 0.576 | S | S | . | * | trans | -42 | 107.3 | 170.4 | 56.2 | 0 | 0 | 0 | 0 | 109 | G5 L9 | G5-S7 PolarHBondContact O-N 2.86Å; G5-S7 VanDerWaalsContact O-N 3.09Å; S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.04Å | ||
| 8 | Q | 52.5 | Low | 57.9 | Low | 190 Ų | 190 | 100.9 Ų | 100.9 | 89% | 0.888 | 56% | 0.556 | S | S | * | * | trans | -70 | 94.9 | 179.5 | -65.9 | -153 | 12.5 | 0 | 0 | 107.6 | K6 | K6-Q8 PolarHBondContact O-N 3.37Š| ||
| 9 | L | 59.5 | Low | 59.4 | Low | 55 Ų | 55 | 95.6 Ų | 95.6 | 29% | 0.288 | 53% | 0.527 | S | S | . | . | trans | -54 | 143.9 | 163.1 | -77.3 | 169.5 | 0 | 0 | 0 | 108.6 | S7 A13 N14 L17 M299 | S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.04Å; L9-A13 HydrophobicContact CB-CB 4.04Å; L9-A13 HydrophobicContact CD2-CB 4Å; L9-A13 HydrophobicContact CG-CB 4.44Å; L9-N14 VanDerWaalsContact CB-OD1 3.32Å; L9-N14 WeakPolarHBondContact CB-OD1 3.39Å; L9-N14 PolarHBondContact O-ND2 3.22Å; L9-L17 HydrophobicContact CD1-CD2 4.15Å; L9-M299 HydrophobicContact CD1-CE 3.67Å; L9-M299 HydrophobicContact CD1-SD 3.61Å; L9-M299 HydrophobicContact CD2-SD 4.21Å; L9-M299 HydrophobicContact CG-CE 4.26Å; L9-M299 HydrophobicContact CG-SD 4.22Å | ||
| 10 | G | 70.4 | Confident | 60.7 | Low | 42 Ų | 42 | 94.3 Ų | 94.3 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | trans | -58.4 | 157.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | V12 A13 N14 | G10-V12 PolarHBondContact O-N 3.38Å; G10-V12 VanDerWaalsContact O-N 3.14Å; G10-A13 PolarHBondContact O-N 3.2Å; G10-N14 PolarHBondContact O-N 3.07Å | ||
| 11 | P | 74.7 | Confident | 61.7 | Low | 116 Ų | 116 | 90.4 Ų | 90.4 | 75% | 0.753 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -52.8 | -40.2 | -175.8 | -27.3 | 34 | 0 | 0 | 0 | 113.7 | N14 F15 | P11-N14 PolarHBondContact O-N 2.8Å; P11-F15 WeakPolarHBondContact O-CB 3.46Å; P11-F15 PolarHBondContact O-N 3.04Å |
| 12 | V | 76.5 | Confident | 64.4 | Low | 103 Ų | 103 | 81.2 Ų | 81.2 | 62% | 0.624 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 178.8 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | G10 F15 L16 | G10-V12 PolarHBondContact O-N 3.38Å; G10-V12 VanDerWaalsContact O-N 3.14Å; V12-F15 WeakPolarHBondContact O-CB 3.41Å; V12-F15 PolarHBondContact O-N 3.25Å; V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 WeakPolarHBondContact O-CG 3.13Å; V12-L16 PolarHBondContact O-N 3.38Å |
| 13 | A | 79.1 | Confident | 67.5 | Low | 40 Ų | 40 | 70.6 Ų | 70.6 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L9 G10 F15 L16 L17 | L9-A13 HydrophobicContact CB-CB 4.04Å; L9-A13 HydrophobicContact CD2-CB 4Å; L9-A13 HydrophobicContact CG-CB 4.44Å; G10-A13 PolarHBondContact O-N 3.2Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 3.48Å; A13-L16 PolarHBondContact O-N 2.72Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 2.82Å |
| 14 | N | 77.8 | Confident | 70.4 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 172.6 | -74.6 | -31.8 | 0 | 0 | 0 | 112.1 | L9 G10 P11 L17 A18 | L9-N14 VanDerWaalsContact CB-OD1 3.32Å; L9-N14 WeakPolarHBondContact CB-OD1 3.39Å; L9-N14 PolarHBondContact O-ND2 3.22Å; G10-N14 PolarHBondContact O-N 3.07Å; P11-N14 PolarHBondContact O-N 2.8Å; N14-L17 PolarHBondContact O-N 3.21Å; N14-A18 VanDerWaalsContact O-CB 3.28Å; N14-A18 WeakPolarHBondContact O-CB 3.4Å; N14-A18 PolarHBondContact O-N 3.07Å |
| 15 | F | 81.9 | Confident | 73.1 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -50.5 | 176.3 | 171.2 | -102.4 | 0 | 0 | 0 | 112.3 | P11 V12 A13 L17 A18 G19 F78 V81 G82 Y85 | P11-F15 WeakPolarHBondContact O-CB 3.46Å; P11-F15 PolarHBondContact O-N 3.04Å; V12-F15 WeakPolarHBondContact O-CB 3.41Å; V12-F15 PolarHBondContact O-N 3.25Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 3.48Å; F15-L17 VanDerWaalsContact C-N 3.27Å; F15-L17 PolarHBondContact O-N 2.6Å; F15-A18 PolarHBondContact O-N 3.15Å; F15-G19 PolarHBondContact O-N 3.4Å; F15-F78 HydrophobicContact CE1-CD1 4.17Å; F15-F78 WeakPolarHBondContact CE2-O 3.5Å; F15-F78 HydrophobicContact CZ-CB 4.14Å; F15-F78 HydrophobicContact CZ-CD1 4.02Å; F15-F78 WeakPolarHBondContact CZ-O 3.45Å; F15-V81 HydrophobicContact CD2-CG1 3.9Å; F15-V81 HydrophobicContact CE2-CB 4.21Å; F15-V81 HydrophobicContact CE2-CG1 4.03Å; F15-G82 VanDerWaalsContact CE2-CA 3.45Å; F15-Y85 HydrophobicContact CD2-CD2 4.28Å |
| 16 | L | 83.9 | Confident | 75.9 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 178.5 | -71 | 176.2 | 0 | 0 | 0 | 111.4 | V12 A13 G19 T20 | V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 WeakPolarHBondContact O-CG 3.13Å; V12-L16 PolarHBondContact O-N 3.38Å; A13-L16 PolarHBondContact O-N 2.72Å; L16-G19 PolarHBondContact O-N 3.17Å; L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 VanDerWaalsContact O-CG2 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.24Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.45Å |
| 17 | L | 81 | Confident | 78.3 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 176 | -178.1 | 68.4 | 0 | 0 | 0 | 111.4 | L9 A13 N14 F15 G19 T20 T21 M291 L295 | L9-L17 HydrophobicContact CD1-CD2 4.15Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 2.82Å; N14-L17 PolarHBondContact O-N 3.21Å; F15-L17 VanDerWaalsContact C-N 3.27Å; F15-L17 PolarHBondContact O-N 2.6Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.05Å; L17-T20 WeakPolarHBondContact CA-OG1 3.14Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.15Å; L17-T21 WeakPolarHBondContact O-CB 3.43Å; L17-T21 PolarHBondContact O-N 2.96Å; L17-T21 PolarHBondContact O-OG1 2.95Å; L17-M291 HydrophobicContact CD1-CE 4.05Å; L17-L295 HydrophobicContact CD1-CD1 3.84Å; L17-L295 HydrophobicContact CD1-CD2 3.21Å; L17-L295 HydrophobicContact CD1-CG 4.14Å; L17-L295 HydrophobicContact CD2-CD2 3.23Å; L17-L295 HydrophobicContact CG-CD2 3.71Å |
| 18 | A | 80.5 | Confident | 80.4 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N14 F15 G22 V81 Y85 | N14-A18 VanDerWaalsContact O-CB 3.28Å; N14-A18 WeakPolarHBondContact O-CB 3.4Å; N14-A18 PolarHBondContact O-N 3.07Å; F15-A18 PolarHBondContact O-N 3.15Å; A18-G22 PolarHBondContact O-N 3.16Å; A18-V81 HydrophobicContact CB-CG1 3.88Å; A18-Y85 HydrophobicContact CB-CE2 4.14Å |
| 19 | G | 85.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | F15 L16 L17 G22 A23 | F15-G19 PolarHBondContact O-N 3.4Å; L16-G19 PolarHBondContact O-N 3.17Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.05Å; G19-G22 PolarHBondContact O-N 3.29Å; G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 2.88Å |
| 20 | T | 85.3 | Confident | 83.8 | Confident | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | L16 L17 G22 A23 V24 | L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 VanDerWaalsContact O-CG2 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.24Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.45Å; L17-T20 WeakPolarHBondContact CA-OG1 3.14Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.15Å; T20-G22 PolarHBondContact O-N 3.49Å; T20-A23 WeakPolarHBondContact O-CB 3.01Å; T20-A23 PolarHBondContact O-N 3.07Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 2.91Å |
| 21 | T | 83.4 | Confident | 84.8 | Confident | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 172.2 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | L17 A23 V24 G25 V287 M291 | L17-T21 WeakPolarHBondContact O-CB 3.43Å; L17-T21 PolarHBondContact O-N 2.96Å; L17-T21 PolarHBondContact O-OG1 2.95Å; T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 PolarHBondContact O-N 3.45Å; T21-V24 PolarHBondContact O-N 2.98Å; T21-G25 PolarHBondContact O-N 3.45Å; T21-V287 HydrophobicContact CG2-CG1 3.97Å; T21-M291 HydrophobicContact CG2-CB 3.5Å; T21-M291 VanDerWaalsContact CG2-CB 3.5Å; T21-M291 HydrophobicContact CG2-CE 3.94Å; T21-M291 HydrophobicContact CG2-CG 3.48Å; T21-M291 VanDerWaalsContact CG2-CG 3.48Å; T21-M291 HydrophobicContact CG2-SD 4.09Å; T21-M291 WeakPolarHBondContact OG1-CE 3.46Å; T21-M291 VanDerWaalsContact OG1-CG 3.28Å; T21-M291 WeakPolarHBondContact OG1-CG 3.19Å |
| 22 | G | 85.4 | Confident | 85.6 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 26% | 0.258 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A18 G19 T20 G25 R26 I77 | A18-G22 PolarHBondContact O-N 3.16Å; G19-G22 PolarHBondContact O-N 3.29Å; T20-G22 PolarHBondContact O-N 3.49Å; G22-G25 PolarHBondContact O-N 3.36Å; G22-R26 WeakPolarHBondContact O-CB 3.33Å; G22-R26 PolarHBondContact O-N 2.59Å; G22-I77 VanDerWaalsContact O-CD1 3.24Å; G22-I77 WeakPolarHBondContact O-CD1 3.31Å |
| 23 | A | 88.4 | Confident | 86.3 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G19 T20 T21 R26 A27 V74 I77 | G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 2.88Å; T20-A23 WeakPolarHBondContact O-CB 3.01Å; T20-A23 PolarHBondContact O-N 3.07Å; T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 PolarHBondContact O-N 3.45Å; A23-R26 PolarHBondContact O-N 3.09Å; A23-A27 PolarHBondContact O-N 3.32Å; A23-V74 HydrophobicContact CB-CG1 3.74Å; A23-V74 HydrophobicContact CB-CG2 4.34Å; A23-I77 HydrophobicContact CB-CD1 4.46Å |
| 24 | V | 87.5 | Confident | 86.9 | Confident | 75 Ų | 75 | 38.2 Ų | 38.2 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -49.6 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | T20 T21 R26 A27 F28 | T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 2.91Å; T21-V24 PolarHBondContact O-N 2.98Å; V24-R26 PolarHBondContact O-N 2.92Å; V24-A27 WeakPolarHBondContact O-CB 3.49Å; V24-A27 PolarHBondContact O-N 2.68Å; V24-A27 VanDerWaalsContact O-N 3.12Å; V24-F28 HydrophobicContact CG1-CD2 3.84Å; V24-F28 HydrophobicContact CG1-CE2 3.66Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.29Å; V24-F28 PolarHBondContact O-N 2.94Å; V24-F28 VanDerWaalsContact O-N 3.11Å |
| 25 | G | 86.9 | Confident | 87.6 | Confident | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T21 G22 A29 | T21-G25 PolarHBondContact O-N 3.45Å; G22-G25 PolarHBondContact O-N 3.36Å; G25-A29 VanDerWaalsContact O-CB 3.28Å; G25-A29 WeakPolarHBondContact O-CB 3.41Å; G25-A29 PolarHBondContact O-N 3.24Å |
| 26 | R | 88.7 | Confident | 88 | Confident | 35 Ų | 35 | 34.1 Ų | 34.1 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.5 | -35.3 | 177.3 | -160.1 | 70.5 | 176 | 100.4 | -4.4 | 112.4 | G22 A23 V24 A29 H30 S33 S73 I77 | G22-R26 WeakPolarHBondContact O-CB 3.33Å; G22-R26 PolarHBondContact O-N 2.59Å; A23-R26 PolarHBondContact O-N 3.09Å; V24-R26 PolarHBondContact O-N 2.92Å; R26-A29 CarbonylContact O-C 3.56Å; R26-H30 WeakPolarHBondContact O-CA 3.4Å; R26-H30 VanDerWaalsContact O-CB 3.25Å; R26-H30 WeakPolarHBondContact O-CB 3.45Å; R26-H30 PolarHBondContact O-N 2.95Å; R26-S33 PolarHBondContact NH1-OG 3.37Å; R26-S73 WeakPolarHBondContact CG-OG 3.45Å; R26-S73 PolarHBondContact NE-OG 2.89Å; R26-I77 HydrophobicContact CB-CD1 3.66Å; R26-I77 HydrophobicContact CG-CD1 4.11Å |
| 27 | A | 90.8 | Very high | 88.4 | Confident | 34 Ų | 34 | 30.2 Ų | 30.2 | 28% | 0.281 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A23 V24 H30 L70 | A23-A27 PolarHBondContact O-N 3.32Å; V24-A27 WeakPolarHBondContact O-CB 3.49Å; V24-A27 PolarHBondContact O-N 2.68Å; V24-A27 VanDerWaalsContact O-N 3.12Å; A27-H30 VanDerWaalsContact O-CB 3.25Å; A27-H30 WeakPolarHBondContact O-CB 3.4Å; A27-H30 PolarHBondContact O-N 3.12Å; A27-L70 HydrophobicContact CB-CD1 4.2Å |
| 28 | F | 89.1 | Confident | 88.7 | Confident | 141 Ų | 141 | 28.4 Ų | 28.4 | 62% | 0.618 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -65.4 | -41.2 | 175.9 | -76.9 | -72 | 0 | 0 | 0 | 113 | V24 H30 P283 V287 | V24-F28 HydrophobicContact CG1-CD2 3.84Å; V24-F28 HydrophobicContact CG1-CE2 3.66Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.29Å; V24-F28 PolarHBondContact O-N 2.94Å; V24-F28 VanDerWaalsContact O-N 3.11Å; F28-H30 PolarHBondContact O-N 3.4Å; F28-P283 HydrophobicContact CB-CB 4.34Å; F28-V287 HydrophobicContact CD2-CG2 4.46Å |
| 29 | A | 90.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G25 R26 S33 K280 P283 | G25-A29 VanDerWaalsContact O-CB 3.28Å; G25-A29 WeakPolarHBondContact O-CB 3.41Å; G25-A29 PolarHBondContact O-N 3.24Å; R26-A29 CarbonylContact O-C 3.56Å; A29-S33 PolarHBondContact O-N 3.17Å; A29-S33 VanDerWaalsContact O-N 3.1Å; A29-K280 HydrophobicContact CB-CG 4.19Å; A29-P283 HydrophobicContact CB-CB 4.2Å |
| 30 | H | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -48.9 | -170.7 | -157.8 | -82.2 | 0 | 0 | 0 | 113.1 | R26 A27 F28 F32 S33 V34 F66 K68 L70 K131 | R26-H30 WeakPolarHBondContact O-CA 3.4Å; R26-H30 VanDerWaalsContact O-CB 3.25Å; R26-H30 WeakPolarHBondContact O-CB 3.45Å; R26-H30 PolarHBondContact O-N 2.95Å; A27-H30 VanDerWaalsContact O-CB 3.25Å; A27-H30 WeakPolarHBondContact O-CB 3.4Å; A27-H30 PolarHBondContact O-N 3.12Å; F28-H30 PolarHBondContact O-N 3.4Å; H30-F32 VanDerWaalsContact C-N 3.31Å; H30-F32 PolarHBondContact O-N 2.93Å; H30-S33 CarbonylContact O-C 3.58Å; H30-S33 WeakPolarHBondContact O-CA 3.35Å; H30-S33 WeakPolarHBondContact O-CB 3.35Å; H30-S33 PolarHBondContact O-N 3.39Å; H30-S33 PolarHBondContact O-OG 2.99Å; H30-V34 VanDerWaalsContact CE1-CG2 3.44Å; H30-V34 WeakPolarHBondContact CE1-CG2 3.21Å; H30-V34 PolarHBondContact O-N 3.38Å; H30-F66 PolarHBondContact ND1-O 3.41Å; H30-K68 PolarHBondContact CE1-O 3.48Å; H30-L70 HydrophobicContact CB-CD1 3.98Å; H30-L70 VanDerWaalsContact CD2-CD1 3.47Å; H30-L70 WeakPolarHBondContact CD2-CD1 3.42Å; H30-K131 PolarHBondContact NE2-NZ 3.35Å; H30-K131 VanDerWaalsContact NE2-NZ 3.16Å |
| 31 | P | 92.4 | Very high | 89.4 | Confident | 31 Ų | 31 | 24 Ų | 24 | 20% | 0.201 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.1 | -44.9 | -179.4 | -27 | 37.1 | 0 | 0 | 0 | 112.4 | S33 V34 L35 F66 F67 | P31-S33 VanDerWaalsContact C-N 3.27Å; P31-S33 PolarHBondContact O-N 2.83Å; P31-V34 PolarHBondContact O-N 2.93Å; P31-L35 WeakPolarHBondContact O-CG 3.35Å; P31-L35 PolarHBondContact O-N 3.1Å; P31-F66 HydrophobicContact CB-CB 4.06Å; P31-F66 HydrophobicContact CB-CD1 3.94Å; P31-F66 HydrophobicContact CB-CG 4.37Å; P31-F66 HydrophobicContact CG-CB 4.34Å; P31-F67 HydrophobicContact CG-CE1 4.36Å; P31-F67 HydrophobicContact CG-CZ 4.29Å |
| 32 | F | 92 | Very high | 89.3 | Confident | 72 Ų | 72 | 23.5 Ų | 23.5 | 32% | 0.316 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.5 | -32.6 | 175.5 | -60.7 | -69.4 | 0 | 0 | 0 | 112.5 | H30 L35 K36 C279 K280 P283 | H30-F32 VanDerWaalsContact C-N 3.31Å; H30-F32 PolarHBondContact O-N 2.93Å; F32-L35 PolarHBondContact O-N 3.38Å; F32-K36 WeakPolarHBondContact O-CB 3.49Å; F32-K36 PolarHBondContact O-N 2.85Å; F32-C279 HydrophobicContact CD1-CB 3.6Å; F32-C279 HydrophobicContact CE1-CB 3.74Å; F32-C279 HydrophobicContact CG-CB 4.23Å; F32-C279 HydrophobicContact CZ-CB 4.47Å; F32-K280 HydrophobicContact CB-CB 3.77Å; F32-K280 HydrophobicContact CB-CG 4.34Å; F32-P283 HydrophobicContact CD2-CG 4.28Å; F32-P283 HydrophobicContact CE2-CG 4.19Å |
| 33 | S | 90.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.5 | -32.2 | 175.2 | 78.7 | 0 | 0 | 0 | 0 | 113.6 | R26 A29 H30 P31 I37 K131 | R26-S33 PolarHBondContact NH1-OG 3.37Å; A29-S33 PolarHBondContact O-N 3.17Å; A29-S33 VanDerWaalsContact O-N 3.1Å; H30-S33 CarbonylContact O-C 3.58Å; H30-S33 WeakPolarHBondContact O-CA 3.35Å; H30-S33 WeakPolarHBondContact O-CB 3.35Å; H30-S33 PolarHBondContact O-N 3.39Å; H30-S33 PolarHBondContact O-OG 2.99Å; P31-S33 VanDerWaalsContact C-N 3.27Å; P31-S33 PolarHBondContact O-N 2.83Å; S33-I37 WeakPolarHBondContact O-CB 3.47Å; S33-I37 WeakPolarHBondContact O-CD1 3Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 3Å; S33-K131 PolarHBondContact OG-NZ 3.22Å |
| 34 | V | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -49.3 | 171 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | H30 P31 K36 I37 Q38 I57 F66 I135 | H30-V34 VanDerWaalsContact CE1-CG2 3.44Å; H30-V34 WeakPolarHBondContact CE1-CG2 3.21Å; H30-V34 PolarHBondContact O-N 3.38Å; P31-V34 PolarHBondContact O-N 2.93Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.98Å; V34-I37 PolarHBondContact O-N 2.96Å; V34-I37 VanDerWaalsContact O-N 3.16Å; V34-Q38 HydrophobicContact CG1-CG 4.41Å; V34-Q38 WeakPolarHBondContact O-CG 3.28Å; V34-Q38 PolarHBondContact O-N 2.73Å; V34-I57 HydrophobicContact CG1-CD1 3.76Å; V34-F66 WeakPolarHBondContact CG2-O 3.37Å; V34-I135 HydrophobicContact CG1-CG2 3.93Å; V34-I135 HydrophobicContact CG2-CD1 4.09Å; V34-I135 HydrophobicContact CG2-CG1 4.29Å |
| 35 | L | 91.6 | Very high | 87.7 | Confident | 14 Ų | 14 | 22.3 Ų | 22.3 | 7% | 0.073 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 177.2 | -69.1 | 171 | 0 | 0 | 0 | 112.8 | P31 F32 S39 T50 A54 I57 F66 A276 | P31-L35 WeakPolarHBondContact O-CG 3.35Å; P31-L35 PolarHBondContact O-N 3.1Å; F32-L35 PolarHBondContact O-N 3.38Å; L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.44Å; L35-S39 PolarHBondContact O-N 3.42Å; L35-T50 HydrophobicContact CB-CG2 4.25Å; L35-T50 HydrophobicContact CD1-CG2 3.93Å; L35-A54 HydrophobicContact CD1-CB 4.36Å; L35-A54 HydrophobicContact CD2-CB 3.7Å; L35-I57 HydrophobicContact CD2-CD1 3.63Å; L35-I57 HydrophobicContact CG-CD1 4.37Å; L35-F66 HydrophobicContact CD1-CE1 4.29Å; L35-F66 HydrophobicContact CD2-CE1 4.1Å; L35-F66 HydrophobicContact CG-CE1 4.2Å; L35-A276 HydrophobicContact CB-CB 4Å |
| 36 | K | 91.7 | Very high | 87.1 | Confident | 15 Ų | 15 | 22 Ų | 22 | 7% | 0.065 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.7 | -54.3 | 173.8 | 176.2 | -175.8 | 177.2 | 170.3 | 0 | 110.2 | F32 V34 Q38 S39 Q40 D228 A276 N277 K280 | F32-K36 WeakPolarHBondContact O-CB 3.49Å; F32-K36 PolarHBondContact O-N 2.85Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.98Å; K36-Q38 PolarHBondContact O-N 3.32Å; K36-S39 PolarHBondContact O-N 3.45Å; K36-Q40 HydrophobicContact CG-CG 4.23Å; K36-Q40 WeakPolarHBondContact O-CB 3.3Å; K36-Q40 VanDerWaalsContact O-CG 3.23Å; K36-Q40 WeakPolarHBondContact O-CG 3.48Å; K36-Q40 PolarHBondContact O-N 3.49Å; K36-D228 IonicContact NZ-OD2 3.22Å; K36-D228 PolarHBondContact NZ-OD2 3.49Å; K36-A276 HydrophobicContact CB-CB 4.06Å; K36-N277 HydrophobicContact CD-CB 4.1Å; K36-N277 WeakPolarHBondContact CD-OD1 3.44Å; K36-N277 WeakPolarHBondContact CE-OD1 3.39Å; K36-N277 HydrophobicContact CG-CB 4.45Å; K36-N277 VanDerWaalsContact NZ-CG 3.32Å; K36-N277 PolarHBondContact NZ-ND2 3.12Å; K36-N277 PolarHBondContact NZ-OD1 2.9Å; K36-K280 HydrophobicContact CD-CD 4.43Å |
| 37 | I | 91.4 | Very high | 86.6 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | -174 | -70.4 | 168.4 | 0 | 0 | 0 | 111.2 | S33 V34 S39 Q40 S41 K131 T132 I135 | S33-I37 WeakPolarHBondContact O-CB 3.47Å; S33-I37 WeakPolarHBondContact O-CD1 3Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 3Å; V34-I37 PolarHBondContact O-N 2.96Å; V34-I37 VanDerWaalsContact O-N 3.16Å; I37-S39 VanDerWaalsContact C-N 3.35Å; I37-S39 PolarHBondContact O-N 3.44Å; I37-Q40 PolarHBondContact O-N 2.64Å; I37-S41 VanDerWaalsContact O-CB 3.31Å; I37-S41 WeakPolarHBondContact O-CB 3.26Å; I37-S41 PolarHBondContact O-N 3.02Å; I37-S41 PolarHBondContact O-OG 3.24Å; I37-S41 VanDerWaalsContact O-OG 3.04Å; I37-K131 HydrophobicContact CD1-CD 4.39Å; I37-K131 HydrophobicContact CD1-CG 4.4Å; I37-T132 HydrophobicContact CG2-CG2 3.98Å; I37-I135 HydrophobicContact CB-CD1 4.42Å; I37-I135 HydrophobicContact CB-CG2 4.06Å; I37-I135 HydrophobicContact CD1-CD1 3.53Å; I37-I135 HydrophobicContact CG2-CB 4.16Å; I37-I135 HydrophobicContact CG2-CD1 4.45Å; I37-I135 HydrophobicContact CG2-CG2 3.73Å |
| 38 | Q | 88.1 | Confident | 86 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 177.6 | -69.5 | -161.3 | -15.6 | 0 | 0 | 113.1 | V34 K36 S41 G42 M43 I57 I135 | V34-Q38 HydrophobicContact CG1-CG 4.41Å; V34-Q38 WeakPolarHBondContact O-CG 3.28Å; V34-Q38 PolarHBondContact O-N 2.73Å; K36-Q38 PolarHBondContact O-N 3.32Å; Q38-S41 PolarHBondContact O-OG 2.85Å; Q38-S41 VanDerWaalsContact O-OG 3.12Å; Q38-G42 PolarHBondContact O-N 3.34Å; Q38-M43 HydrophobicContact CB-SD 3.92Å; Q38-M43 HydrophobicContact CG-SD 3.56Å; Q38-M43 VanDerWaalsContact CG-SD 3.56Å; Q38-M43 PolarHBondContact O-N 2.88Å; Q38-M43 VanDerWaalsContact O-N 3.14Å; Q38-I57 VanDerWaalsContact OE1-CD1 3.23Å; Q38-I135 HydrophobicContact CG-CG2 3.74Å; Q38-I135 PolarHBondContact NE2-O 3.32Å |
| 39 | S | 89.9 | Confident | 85.8 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.1 | -41.6 | 176.7 | -166.6 | 0 | 0 | 0 | 0 | 111.6 | L35 K36 I37 G42 G46 H272 G273 | L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.44Å; L35-S39 PolarHBondContact O-N 3.42Å; K36-S39 PolarHBondContact O-N 3.45Å; I37-S39 VanDerWaalsContact C-N 3.35Å; I37-S39 PolarHBondContact O-N 3.44Å; S39-G42 PolarHBondContact O-N 2.91Å; S39-G46 WeakPolarHBondContact CA-O 3.5Å; S39-G46 VanDerWaalsContact CB-O 3.27Å; S39-G46 WeakPolarHBondContact CB-O 3.48Å; S39-G46 PolarHBondContact OG-O 2.94Å; S39-H272 WeakPolarHBondContact O-CB 3.11Å; S39-G273 WeakPolarHBondContact OG-CA 3.46Å; S39-G273 PolarHBondContact OG-N 3.36Å |
| 40 | Q | 89.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.7 | -34.9 | 179.8 | -71.1 | -173.8 | -31.9 | 0 | 0 | 113.4 | K36 I37 G42 V229 H232 K233 H272 | K36-Q40 HydrophobicContact CG-CG 4.23Å; K36-Q40 WeakPolarHBondContact O-CB 3.3Å; K36-Q40 VanDerWaalsContact O-CG 3.23Å; K36-Q40 WeakPolarHBondContact O-CG 3.48Å; K36-Q40 PolarHBondContact O-N 3.49Å; I37-Q40 PolarHBondContact O-N 2.64Å; Q40-G42 PolarHBondContact O-N 3.34Å; Q40-V229 HydrophobicContact CB-CG2 4.22Å; Q40-V229 HydrophobicContact CG-CG2 3.85Å; Q40-H232 HydrophobicContact CB-CB 3.93Å; Q40-H232 PolarHBondContact OE1-CE1 3.14Å; Q40-H232 PolarHBondContact OE1-ND1 3.37Å; Q40-K233 VanDerWaalsContact O-CG 3.3Å; Q40-K233 WeakPolarHBondContact O-CG 3.32Å; Q40-H272 WeakPolarHBondContact CG-O 3.48Å |
| 41 | S | 86 | Confident | 85.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.7 | -14.9 | 174 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | I37 Q38 V136 T247 | I37-S41 VanDerWaalsContact O-CB 3.31Å; I37-S41 WeakPolarHBondContact O-CB 3.26Å; I37-S41 PolarHBondContact O-N 3.02Å; I37-S41 PolarHBondContact O-OG 3.24Å; I37-S41 VanDerWaalsContact O-OG 3.04Å; Q38-S41 PolarHBondContact O-OG 2.85Å; Q38-S41 VanDerWaalsContact O-OG 3.12Å; S41-V136 WeakPolarHBondContact OG-CG1 3.16Å; S41-T247 WeakPolarHBondContact O-CG2 3.32Å |
| 42 | G | 82.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 30.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q38 S39 Q40 D248 | Q38-G42 PolarHBondContact O-N 3.34Å; S39-G42 PolarHBondContact O-N 2.91Å; Q40-G42 PolarHBondContact O-N 3.34Å; G42-D248 PolarHBondContact O-N 3.49Å |
| 43 | M | 80.1 | Confident | 85 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | trans | -59.5 | 144.4 | 170.1 | -72.6 | 178.1 | 79.9 | 0 | 0 | 110.1 | Q38 G45 G46 R47 V136 Y246 | Q38-M43 HydrophobicContact CB-SD 3.92Å; Q38-M43 HydrophobicContact CG-SD 3.56Å; Q38-M43 VanDerWaalsContact CG-SD 3.56Å; Q38-M43 PolarHBondContact O-N 2.88Å; Q38-M43 VanDerWaalsContact O-N 3.14Å; M43-G45 VanDerWaalsContact C-N 3.27Å; M43-G45 PolarHBondContact O-N 2.81Å; M43-G45 VanDerWaalsContact O-N 3.11Å; M43-G46 PolarHBondContact O-N 2.85Å; M43-R47 PolarHBondContact O-N 3.36Å; M43-V136 WeakPolarHBondContact CE-O 3.43Å; M43-V136 HydrophobicContact CG-CB 4.48Å; M43-V136 HydrophobicContact CG-CG1 4.41Å; M43-V136 HydrophobicContact SD-CB 3.92Å; M43-V136 HydrophobicContact SD-CG1 3.98Å; M43-Y246 WeakPolarHBondContact CA-O 3.34Å | ||
| 44 | P | 74.5 | Confident | 85 | Confident | 72 Ų | 72 | 30.7 Ų | 30.7 | 47% | 0.468 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -48.2 | -45.9 | -174.7 | -30.3 | 34.2 | 0 | 0 | 0 | 113.9 | ||
| 45 | G | 72.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.4 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | M43 M48 G53 W56 | M43-G45 VanDerWaalsContact C-N 3.27Å; M43-G45 PolarHBondContact O-N 2.81Å; M43-G45 VanDerWaalsContact O-N 3.11Å; G45-M48 PolarHBondContact O-N 3.45Å; G45-G53 WeakPolarHBondContact O-CA 3.33Å; G45-G53 PolarHBondContact O-N 3.44Å; G45-W56 VanDerWaalsContact CA-CG 3.44Å |
| 46 | G | 75.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.2 | -29.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S39 M43 M48 G49 | S39-G46 WeakPolarHBondContact CA-O 3.5Å; S39-G46 VanDerWaalsContact CB-O 3.27Å; S39-G46 WeakPolarHBondContact CB-O 3.48Å; S39-G46 PolarHBondContact OG-O 2.94Å; M43-G46 PolarHBondContact O-N 2.85Å; G46-M48 VanDerWaalsContact C-N 3.29Å; G46-M48 PolarHBondContact O-N 3.29Å; G46-G49 PolarHBondContact O-N 3.49Å |
| 47 | R | 77 | Confident | 84.4 | Confident | 86 Ų | 86 | 38.6 Ų | 38.6 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.7 | -33 | 178 | -172.3 | -173.8 | 165.5 | 156.5 | 3.5 | 112.3 | M43 G49 D248 I264 N265 H272 | M43-R47 PolarHBondContact O-N 3.36Å; R47-G49 PolarHBondContact O-N 2.89Å; R47-D248 IonicContact CZ-OD2 3.47Å; R47-D248 IonicContact NH1-OD1 3.91Å; R47-D248 PolarHBondContact NH1-OD1 3.39Å; R47-D248 VanDerWaalsContact NH1-OD1 3.14Å; R47-D248 IonicContact NH1-OD2 3.18Å; R47-D248 PolarHBondContact NH1-OD2 3.38Å; R47-I264 PolarHBondContact NH2-O 3.11Å; R47-N265 WeakPolarHBondContact CD-OD1 3.45Å; R47-N265 PolarHBondContact NE-OD1 2.96Å; R47-N265 PolarHBondContact NH1-OD1 3.42Å; R47-N265 PolarHBondContact NH2-OD1 2.79Å; R47-H272 VanDerWaalsContact CG-CE1 3.41Å; R47-H272 WeakPolarHBondContact CG-CE1 3.48Å |
| 48 | M | 78.8 | Confident | 84.2 | Confident | 139 Ų | 139 | 42.3 Ų | 42.3 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.7 | -178.7 | -64.1 | -179.3 | 178.6 | 0 | 0 | 113.7 | G45 G46 M52 | G45-M48 PolarHBondContact O-N 3.45Å; G46-M48 VanDerWaalsContact C-N 3.29Å; G46-M48 PolarHBondContact O-N 3.29Å; M48-M52 HydrophobicContact CB-CB 4.02Å; M48-M52 HydrophobicContact CB-CG 3.94Å; M48-M52 HydrophobicContact SD-CG 4.27Å |
| 49 | G | 84.4 | Confident | 84 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | trans | 121.8 | 168.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G46 R47 V51 G53 | G46-G49 PolarHBondContact O-N 3.49Å; R47-G49 PolarHBondContact O-N 2.89Å; G49-V51 PolarHBondContact O-N 2.69Å; G49-G53 PolarHBondContact O-N 3.3Å | ||
| 50 | T | 86.5 | Confident | 83.7 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | -173 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | L35 A54 A276 | L35-T50 HydrophobicContact CB-CG2 4.25Å; L35-T50 HydrophobicContact CD1-CG2 3.93Å; T50-A54 PolarHBondContact O-N 2.95Å; T50-A276 HydrophobicContact CG2-CB 3.88Å; T50-A276 PolarHBondContact OG1-N 3.33Å |
| 51 | V | 89 | Confident | 83.3 | Confident | 127 Ų | 127 | 54.8 Ų | 54.8 | 77% | 0.77 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.8 | -47.5 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | G49 G53 A54 Y55 | G49-V51 PolarHBondContact O-N 2.69Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 PolarHBondContact O-N 2.86Å; V51-A54 WeakPolarHBondContact O-CB 3.36Å; V51-A54 PolarHBondContact O-N 2.89Å; V51-A54 VanDerWaalsContact O-N 3.17Å; V51-Y55 PolarHBondContact O-N 3.4Å |
| 52 | M | 88.1 | Confident | 83.2 | Confident | 69 Ų | 69 | 56 Ų | 56 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.2 | -165.4 | 56.4 | -170.6 | 0 | 0 | 111.1 | M48 A54 Y55 W56 | M48-M52 HydrophobicContact CB-CB 4.02Å; M48-M52 HydrophobicContact CB-CG 3.94Å; M48-M52 HydrophobicContact SD-CG 4.27Å; M52-A54 VanDerWaalsContact C-N 3.34Å; M52-A54 PolarHBondContact O-N 2.76Å; M52-Y55 HydrophobicContact CE-CD1 3.72Å; M52-Y55 HydrophobicContact CE-CE1 3.99Å; M52-Y55 WeakPolarHBondContact O-CB 3.45Å; M52-Y55 PolarHBondContact O-N 3.23Å; M52-Y55 HydrophobicContact SD-CD1 3.87Å; M52-W56 VanDerWaalsContact CE-NE1 3.33Å; M52-W56 VanDerWaalsContact O-CD1 3.24Å; M52-W56 PolarHBondContact O-N 2.87Å |
| 53 | G | 86.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57 | -44.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G45 G49 V51 Y55 W56 I57 | G45-G53 WeakPolarHBondContact O-CA 3.33Å; G45-G53 PolarHBondContact O-N 3.44Å; G49-G53 PolarHBondContact O-N 3.3Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 PolarHBondContact O-N 2.86Å; G53-Y55 PolarHBondContact O-N 3Å; G53-W56 PolarHBondContact O-N 3.32Å; G53-I57 WeakPolarHBondContact O-CG1 3.2Å; G53-I57 PolarHBondContact O-N 3.41Å |
| 54 | A | 90.1 | Very high | 83.6 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L35 T50 V51 M52 I57 L58 F66 | L35-A54 HydrophobicContact CD1-CB 4.36Å; L35-A54 HydrophobicContact CD2-CB 3.7Å; T50-A54 PolarHBondContact O-N 2.95Å; V51-A54 WeakPolarHBondContact O-CB 3.36Å; V51-A54 PolarHBondContact O-N 2.89Å; V51-A54 VanDerWaalsContact O-N 3.17Å; M52-A54 VanDerWaalsContact C-N 3.34Å; M52-A54 PolarHBondContact O-N 2.76Å; A54-I57 PolarHBondContact O-N 2.94Å; A54-L58 WeakPolarHBondContact O-CG 3.33Å; A54-L58 PolarHBondContact O-N 2.88Å; A54-F66 HydrophobicContact CB-CE1 4.17Å; A54-F66 HydrophobicContact CB-CZ 4.06Å |
| 55 | Y | 90.2 | Very high | 84.1 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.6 | 177.4 | -105.6 | 0 | 0 | 0 | 112.7 | V51 M52 G53 L58 R59 | V51-Y55 PolarHBondContact O-N 3.4Å; M52-Y55 HydrophobicContact CE-CD1 3.72Å; M52-Y55 HydrophobicContact CE-CE1 3.99Å; M52-Y55 WeakPolarHBondContact O-CB 3.45Å; M52-Y55 PolarHBondContact O-N 3.23Å; M52-Y55 HydrophobicContact SD-CD1 3.87Å; G53-Y55 PolarHBondContact O-N 3Å; Y55-L58 PolarHBondContact O-N 3.46Å; Y55-R59 HydrophobicContact CE1-CG 4.44Å; Y55-R59 HydrophobicContact CE2-CG 4.41Å; Y55-R59 PolarHBondContact O-N 3.49Å; Y55-R59 PolarHBondContact OH-NE 2.91Å; Y55-R59 PolarHBondContact OH-NH1 3.22Å; Y55-R59 PolarHBondContact OH-NH2 3.16Å |
| 56 | W | 85 | Confident | 84.9 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.6 | -89.7 | 92.2 | 0 | 0 | 0 | 112.5 | G45 M52 G53 R59 L60 | G45-W56 VanDerWaalsContact CA-CG 3.44Å; M52-W56 VanDerWaalsContact CE-NE1 3.33Å; M52-W56 VanDerWaalsContact O-CD1 3.24Å; M52-W56 PolarHBondContact O-N 2.87Å; G53-W56 PolarHBondContact O-N 3.32Å; W56-R59 PolarHBondContact O-N 3.16Å; W56-L60 HydrophobicContact CE3-CD1 3.69Å; W56-L60 HydrophobicContact CE3-CG 4.15Å; W56-L60 HydrophobicContact CZ3-CD1 4.08Å; W56-L60 WeakPolarHBondContact O-CB 3.28Å; W56-L60 WeakPolarHBondContact O-CG 3.26Å; W56-L60 PolarHBondContact O-N 2.97Å |
| 57 | I | 86.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 174.3 | -65.1 | 168.2 | 0 | 0 | 0 | 110.3 | V34 L35 Q38 G53 A54 R59 L60 D61 G62 F66 | V34-I57 HydrophobicContact CG1-CD1 3.76Å; L35-I57 HydrophobicContact CD2-CD1 3.63Å; L35-I57 HydrophobicContact CG-CD1 4.37Å; Q38-I57 VanDerWaalsContact OE1-CD1 3.23Å; G53-I57 WeakPolarHBondContact O-CG1 3.2Å; G53-I57 PolarHBondContact O-N 3.41Å; A54-I57 PolarHBondContact O-N 2.94Å; I57-R59 VanDerWaalsContact C-N 3.28Å; I57-R59 PolarHBondContact O-N 3.34Å; I57-L60 PolarHBondContact O-N 2.93Å; I57-D61 HydrophobicContact CG2-CB 4.39Å; I57-D61 WeakPolarHBondContact O-CA 3.48Å; I57-D61 WeakPolarHBondContact O-CB 3.47Å; I57-D61 PolarHBondContact O-N 3.49Å; I57-G62 PolarHBondContact O-N 2.86Å; I57-G62 VanDerWaalsContact O-N 3.15Å; I57-F66 HydrophobicContact CB-CE1 4.46Å; I57-F66 HydrophobicContact CB-CE2 4.18Å; I57-F66 HydrophobicContact CB-CZ 4.02Å; I57-F66 HydrophobicContact CD1-CD1 4.31Å; I57-F66 HydrophobicContact CD1-CE1 3.99Å; I57-F66 HydrophobicContact CD1-CZ 4.38Å; I57-F66 HydrophobicContact CG2-CD1 4.5Å; I57-F66 HydrophobicContact CG2-CD2 3.88Å; I57-F66 HydrophobicContact CG2-CE1 4.36Å; I57-F66 HydrophobicContact CG2-CE2 3.69Å; I57-F66 HydrophobicContact CG2-CG 4.28Å; I57-F66 HydrophobicContact CG2-CZ 3.97Å |
| 58 | L | 87.1 | Confident | 85.9 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 179.6 | -75.4 | 169.5 | 0 | 0 | 0 | 112.1 | A54 Y55 G62 V63 F66 | A54-L58 WeakPolarHBondContact O-CG 3.33Å; A54-L58 PolarHBondContact O-N 2.88Å; Y55-L58 PolarHBondContact O-N 3.46Å; L58-G62 VanDerWaalsContact O-CA 3.23Å; L58-G62 WeakPolarHBondContact O-CA 3.07Å; L58-G62 PolarHBondContact O-N 2.95Å; L58-V63 HydrophobicContact CD2-CG2 4.2Å; L58-F66 HydrophobicContact CD2-CD2 4.49Å; L58-F66 HydrophobicContact CD2-CE2 3.58Å; L58-F66 HydrophobicContact CD2-CZ 4.36Å; L58-F66 HydrophobicContact CG-CE2 3.67Å; L58-F66 HydrophobicContact CG-CZ 4Å |
| 59 | R | 85.2 | Confident | 86.4 | Confident | 182 Ų | 182 | 61 Ų | 61 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -74.4 | -37.8 | 179.5 | -78.2 | -165.4 | 164.1 | -162 | -4.5 | 114.1 | Y55 W56 I57 | Y55-R59 HydrophobicContact CE1-CG 4.44Å; Y55-R59 HydrophobicContact CE2-CG 4.41Å; Y55-R59 PolarHBondContact O-N 3.49Å; Y55-R59 PolarHBondContact OH-NE 2.91Å; Y55-R59 PolarHBondContact OH-NH1 3.22Å; Y55-R59 PolarHBondContact OH-NH2 3.16Å; W56-R59 PolarHBondContact O-N 3.16Å; I57-R59 VanDerWaalsContact C-N 3.28Å; I57-R59 PolarHBondContact O-N 3.34Å |
| 60 | L | 81.9 | Confident | 86.7 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 35% | 0.346 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -90 | -41.7 | -175.9 | -68.4 | 178.8 | 0 | 0 | 0 | 113.5 | W56 I57 | W56-L60 HydrophobicContact CE3-CD1 3.69Å; W56-L60 HydrophobicContact CE3-CG 4.15Å; W56-L60 HydrophobicContact CZ3-CD1 4.08Å; W56-L60 WeakPolarHBondContact O-CB 3.28Å; W56-L60 WeakPolarHBondContact O-CG 3.26Å; W56-L60 PolarHBondContact O-N 2.97Å; I57-L60 PolarHBondContact O-N 2.93Å |
| 61 | D | 81.2 | Confident | 86.9 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -11.5 | -171.9 | -62.8 | -41.7 | 0 | 0 | 0 | 113.3 | I57 K68 A139 | I57-D61 HydrophobicContact CG2-CB 4.39Å; I57-D61 WeakPolarHBondContact O-CA 3.48Å; I57-D61 WeakPolarHBondContact O-CB 3.47Å; I57-D61 PolarHBondContact O-N 3.49Å; D61-K68 VanDerWaalsContact CG-CE 3.47Å; D61-K68 IonicContact OD1-NZ 3.72Å; D61-K68 PolarHBondContact OD1-NZ 3.42Å; D61-K68 WeakPolarHBondContact OD2-CE 3.19Å; D61-K68 IonicContact OD2-NZ 2.74Å; D61-K68 PolarHBondContact OD2-NZ 3.49Å; D61-A139 WeakPolarHBondContact OD1-CB 3.29Å; D61-A139 PolarHBondContact OD1-N 3.4Å |
| 62 | G | 85 | Confident | 87 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | trans | 64.7 | -162.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I57 L58 R64 G65 | I57-G62 PolarHBondContact O-N 2.86Å; I57-G62 VanDerWaalsContact O-N 3.15Å; L58-G62 VanDerWaalsContact O-CA 3.23Å; L58-G62 WeakPolarHBondContact O-CA 3.07Å; L58-G62 PolarHBondContact O-N 2.95Å; G62-R64 PolarHBondContact O-N 3.44Å; G62-G65 PolarHBondContact O-N 3.42Å; G62-G65 VanDerWaalsContact O-N 3.08Å | ||
| 63 | V | 86.3 | Confident | 87.1 | Confident | 101 Ų | 101 | 54.2 Ų | 54.2 | 61% | 0.612 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -62.4 | -29.2 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | L58 G65 F66 | L58-V63 HydrophobicContact CD2-CG2 4.2Å; V63-G65 PolarHBondContact O-N 3.35Å; V63-F66 PolarHBondContact O-N 3.24Å |
| 64 | R | 84.6 | Confident | 87.3 | Confident | 187 Ų | 187 | 55.9 Ų | 55.9 | 71% | 0.706 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -64.9 | -24.2 | 177.7 | -66.2 | -178 | -178.7 | 174.5 | 1.9 | 112.4 | G62 F66 F67 K68 | G62-R64 PolarHBondContact O-N 3.44Å; R64-F66 VanDerWaalsContact C-N 3.28Å; R64-F66 PolarHBondContact O-N 3.27Å; R64-F67 PolarHBondContact O-N 2.76Å; R64-F67 VanDerWaalsContact O-N 3.1Å; R64-K68 PolarHBondContact O-N 3.16Å |
| 65 | G | 84.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -56.1 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G62 V63 F67 K68 | G62-G65 PolarHBondContact O-N 3.42Å; G62-G65 VanDerWaalsContact O-N 3.08Å; V63-G65 PolarHBondContact O-N 3.35Å; G65-F67 PolarHBondContact O-N 2.94Å; G65-K68 WeakPolarHBondContact O-CB 3.37Å; G65-K68 WeakPolarHBondContact O-CG 3.42Å; G65-K68 PolarHBondContact O-N 3.48Å |
| 66 | F | 88.2 | Confident | 87.4 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -69 | -17.5 | 179.4 | -66.7 | -84.4 | 0 | 0 | 0 | 114.1 | H30 P31 V34 L35 A54 I57 L58 V63 R64 | H30-F66 PolarHBondContact ND1-O 3.41Å; P31-F66 HydrophobicContact CB-CB 4.06Å; P31-F66 HydrophobicContact CB-CD1 3.94Å; P31-F66 HydrophobicContact CB-CG 4.37Å; P31-F66 HydrophobicContact CG-CB 4.34Å; V34-F66 WeakPolarHBondContact CG2-O 3.37Å; L35-F66 HydrophobicContact CD1-CE1 4.29Å; L35-F66 HydrophobicContact CD2-CE1 4.1Å; L35-F66 HydrophobicContact CG-CE1 4.2Å; A54-F66 HydrophobicContact CB-CE1 4.17Å; A54-F66 HydrophobicContact CB-CZ 4.06Å; I57-F66 HydrophobicContact CB-CE1 4.46Å; I57-F66 HydrophobicContact CB-CE2 4.18Å; I57-F66 HydrophobicContact CB-CZ 4.02Å; I57-F66 HydrophobicContact CD1-CD1 4.31Å; I57-F66 HydrophobicContact CD1-CE1 3.99Å; I57-F66 HydrophobicContact CD1-CZ 4.38Å; I57-F66 HydrophobicContact CG2-CD1 4.5Å; I57-F66 HydrophobicContact CG2-CD2 3.88Å; I57-F66 HydrophobicContact CG2-CE1 4.36Å; I57-F66 HydrophobicContact CG2-CE2 3.69Å; I57-F66 HydrophobicContact CG2-CG 4.28Å; I57-F66 HydrophobicContact CG2-CZ 3.97Å; L58-F66 HydrophobicContact CD2-CD2 4.49Å; L58-F66 HydrophobicContact CD2-CE2 3.58Å; L58-F66 HydrophobicContact CD2-CZ 4.36Å; L58-F66 HydrophobicContact CG-CE2 3.67Å; L58-F66 HydrophobicContact CG-CZ 4Å; V63-F66 PolarHBondContact O-N 3.24Å; R64-F66 VanDerWaalsContact C-N 3.28Å; R64-F66 PolarHBondContact O-N 3.27Å |
| 67 | F | 89.5 | Confident | 87.6 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -109.4 | 8.7 | -179 | -62.2 | -80.3 | 0 | 0 | 0 | 112.9 | P31 R64 G65 A69 L70 | P31-F67 HydrophobicContact CG-CE1 4.36Å; P31-F67 HydrophobicContact CG-CZ 4.29Å; R64-F67 PolarHBondContact O-N 2.76Å; R64-F67 VanDerWaalsContact O-N 3.1Å; G65-F67 PolarHBondContact O-N 2.94Å; F67-A69 PolarHBondContact O-N 3.37Å; F67-L70 HydrophobicContact CD1-CD2 4.15Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.3Å; F67-L70 PolarHBondContact O-N 3.47Å; F67-L70 VanDerWaalsContact O-N 3.12Å |
| 68 | K | 85.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 132.3 | 173 | -78.5 | -179.4 | 172 | -176.1 | 0 | 111.4 | H30 D61 R64 G65 L70 I135 C137 | H30-K68 PolarHBondContact CE1-O 3.48Å; D61-K68 VanDerWaalsContact CG-CE 3.47Å; D61-K68 IonicContact OD1-NZ 3.72Å; D61-K68 PolarHBondContact OD1-NZ 3.42Å; D61-K68 WeakPolarHBondContact OD2-CE 3.19Å; D61-K68 IonicContact OD2-NZ 2.74Å; D61-K68 PolarHBondContact OD2-NZ 3.49Å; R64-K68 PolarHBondContact O-N 3.16Å; G65-K68 WeakPolarHBondContact O-CB 3.37Å; G65-K68 WeakPolarHBondContact O-CG 3.42Å; G65-K68 PolarHBondContact O-N 3.48Å; K68-L70 PolarHBondContact O-N 3.4Å; K68-I135 HydrophobicContact CB-CG1 4.41Å; K68-C137 PolarHBondContact NZ-O 2.82Å |
| 69 | A | 88.4 | Confident | 87.9 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 18.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F67 V72 S73 K131 T134 I135 | F67-A69 PolarHBondContact O-N 3.37Å; A69-V72 HydrophobicContact CB-CB 4.36Å; A69-V72 HydrophobicContact CB-CG2 4.28Å; A69-V72 PolarHBondContact O-N 2.93Å; A69-S73 WeakPolarHBondContact O-CB 3.29Å; A69-S73 PolarHBondContact O-N 3.44Å; A69-K131 HydrophobicContact CB-CB 4.35Å; A69-K131 HydrophobicContact CB-CG 4.07Å; A69-T134 HydrophobicContact CB-CG2 3.79Å; A69-I135 HydrophobicContact CB-CG1 4.35Å |
| 70 | L | 90.8 | Very high | 88.1 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.8 | -46.1 | 170.9 | 175.3 | 66.5 | 0 | 0 | 0 | 112.2 | A27 H30 F67 K68 V72 S73 V74 | A27-L70 HydrophobicContact CB-CD1 4.2Å; H30-L70 HydrophobicContact CB-CD1 3.98Å; H30-L70 VanDerWaalsContact CD2-CD1 3.47Å; H30-L70 WeakPolarHBondContact CD2-CD1 3.42Å; F67-L70 HydrophobicContact CD1-CD2 4.15Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.3Å; F67-L70 PolarHBondContact O-N 3.47Å; F67-L70 VanDerWaalsContact O-N 3.12Å; K68-L70 PolarHBondContact O-N 3.4Å; L70-V72 PolarHBondContact O-N 2.86Å; L70-S73 CarbonylContact O-C 3.58Å; L70-S73 WeakPolarHBondContact O-CA 3.5Å; L70-S73 WeakPolarHBondContact O-CB 3.25Å; L70-S73 PolarHBondContact O-N 2.8Å; L70-V74 HydrophobicContact CD1-CG2 4.1Å; L70-V74 HydrophobicContact CG-CG2 4.45Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 2.85Å |
| 71 | P | 90.5 | Very high | 88.3 | Confident | 69 Ų | 69 | 43.3 Ų | 43.3 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 178.3 | -25.6 | 35.4 | 0 | 0 | 0 | 113 | S73 V74 V75 | P71-S73 PolarHBondContact O-N 3.29Å; P71-V74 PolarHBondContact O-N 2.69Å; P71-V74 VanDerWaalsContact O-N 3.12Å; P71-V75 WeakPolarHBondContact O-CG2 3.43Å; P71-V75 PolarHBondContact O-N 3.49Å |
| 72 | V | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | 174.7 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | A69 L70 V74 V75 R76 L127 V130 K131 W150 | A69-V72 HydrophobicContact CB-CB 4.36Å; A69-V72 HydrophobicContact CB-CG2 4.28Å; A69-V72 PolarHBondContact O-N 2.93Å; L70-V72 PolarHBondContact O-N 2.86Å; V72-V74 VanDerWaalsContact C-N 3.28Å; V72-V74 PolarHBondContact O-N 3.17Å; V72-V75 PolarHBondContact O-N 2.94Å; V72-R76 WeakPolarHBondContact O-CB 3.49Å; V72-R76 PolarHBondContact O-N 3.15Å; V72-L127 HydrophobicContact CG1-CB 4.03Å; V72-L127 HydrophobicContact CG1-CD2 4.17Å; V72-L127 VanDerWaalsContact CG1-O 3.3Å; V72-L127 WeakPolarHBondContact CG1-O 3.26Å; V72-V130 HydrophobicContact CG1-CB 4.48Å; V72-V130 HydrophobicContact CG1-CG1 4.42Å; V72-V130 HydrophobicContact CG2-CG1 4.16Å; V72-K131 HydrophobicContact CG1-CB 4.07Å; V72-W150 HydrophobicContact CG2-CB 3.15Å; V72-W150 HydrophobicContact CG2-CD2 3.6Å; V72-W150 HydrophobicContact CG2-CE3 3.97Å; V72-W150 HydrophobicContact CG2-CG 3.25Å |
| 73 | S | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -29.2 | -178.9 | -163.7 | 0 | 0 | 0 | 0 | 113.5 | R26 A69 L70 P71 I77 K131 | R26-S73 WeakPolarHBondContact CG-OG 3.45Å; R26-S73 PolarHBondContact NE-OG 2.89Å; A69-S73 WeakPolarHBondContact O-CB 3.29Å; A69-S73 PolarHBondContact O-N 3.44Å; L70-S73 CarbonylContact O-C 3.58Å; L70-S73 WeakPolarHBondContact O-CA 3.5Å; L70-S73 WeakPolarHBondContact O-CB 3.25Å; L70-S73 PolarHBondContact O-N 2.8Å; P71-S73 PolarHBondContact O-N 3.29Å; S73-I77 WeakPolarHBondContact O-CG1 3.39Å; S73-K131 PolarHBondContact OG-NZ 3.28Å |
| 74 | V | 92 | Very high | 88.5 | Confident | 37 Ų | 37 | 41 Ų | 41 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.5 | -48.5 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | A23 L70 P71 V72 R76 I77 F78 | A23-V74 HydrophobicContact CB-CG1 3.74Å; A23-V74 HydrophobicContact CB-CG2 4.34Å; L70-V74 HydrophobicContact CD1-CG2 4.1Å; L70-V74 HydrophobicContact CG-CG2 4.45Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 2.85Å; P71-V74 PolarHBondContact O-N 2.69Å; P71-V74 VanDerWaalsContact O-N 3.12Å; V72-V74 VanDerWaalsContact C-N 3.28Å; V72-V74 PolarHBondContact O-N 3.17Å; V74-R76 PolarHBondContact O-N 3.01Å; V74-I77 VanDerWaalsContact O-CB 3.3Å; V74-I77 WeakPolarHBondContact O-CB 3.46Å; V74-I77 PolarHBondContact O-N 3.46Å; V74-F78 HydrophobicContact CG1-CE2 4.3Å |
| 75 | V | 91.5 | Very high | 88.3 | Confident | 69 Ų | 69 | 37.9 Ų | 37.9 | 42% | 0.418 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -54 | -43.9 | 177.5 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | P71 V72 I77 F78 P79 L127 | P71-V75 WeakPolarHBondContact O-CG2 3.43Å; P71-V75 PolarHBondContact O-N 3.49Å; V72-V75 PolarHBondContact O-N 2.94Å; V75-I77 PolarHBondContact O-N 3.46Å; V75-I77 VanDerWaalsContact O-N 3.09Å; V75-F78 PolarHBondContact O-N 3.28Å; V75-P79 WeakPolarHBondContact O-CD 3Å; V75-L127 HydrophobicContact CG1-CD1 4.39Å |
| 76 | R | 90.8 | Very high | 88.4 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 18% | 0.177 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.8 | 178.7 | -167 | -169.1 | 68.6 | 100.1 | 16.8 | 114.3 | V72 V74 Q80 T124 L127 D128 | V72-R76 WeakPolarHBondContact O-CB 3.49Å; V72-R76 PolarHBondContact O-N 3.15Å; V74-R76 PolarHBondContact O-N 3.01Å; R76-Q80 VanDerWaalsContact O-CB 3.23Å; R76-Q80 WeakPolarHBondContact O-CB 3.39Å; R76-Q80 PolarHBondContact O-N 3.47Å; R76-Q80 VanDerWaalsContact O-N 3.16Å; R76-T124 HydrophobicContact CG-CG2 4.32Å; R76-L127 HydrophobicContact CB-CB 4.17Å; R76-L127 HydrophobicContact CB-CD1 3.81Å; R76-L127 HydrophobicContact CG-CB 4Å; R76-L127 HydrophobicContact CG-CD1 3.97Å; R76-D128 WeakPolarHBondContact CD-OD1 3.28Å; R76-D128 IonicContact CZ-OD1 2.79Å; R76-D128 IonicContact NE-OD1 3.78Å; R76-D128 PolarHBondContact NE-OD1 2.76Å; R76-D128 IonicContact NH1-OD1 2.71Å; R76-D128 PolarHBondContact NH1-OD1 2.95Å; R76-D128 IonicContact NH1-OD2 3.02Å |
| 77 | I | 89.1 | Confident | 88.1 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | -176 | -60.7 | 175.4 | 0 | 0 | 0 | 110.7 | G22 A23 R26 S73 V74 V75 Q80 V81 | G22-I77 VanDerWaalsContact O-CD1 3.24Å; G22-I77 WeakPolarHBondContact O-CD1 3.31Å; A23-I77 HydrophobicContact CB-CD1 4.46Å; R26-I77 HydrophobicContact CB-CD1 3.66Å; R26-I77 HydrophobicContact CG-CD1 4.11Å; S73-I77 WeakPolarHBondContact O-CG1 3.39Å; V74-I77 VanDerWaalsContact O-CB 3.3Å; V74-I77 WeakPolarHBondContact O-CB 3.46Å; V74-I77 PolarHBondContact O-N 3.46Å; V75-I77 PolarHBondContact O-N 3.46Å; V75-I77 VanDerWaalsContact O-N 3.09Å; I77-Q80 PolarHBondContact O-N 2.99Å; I77-V81 HydrophobicContact CG2-CG2 3.89Å; I77-V81 VanDerWaalsContact O-CB 3.29Å; I77-V81 WeakPolarHBondContact O-CB 3.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.02Å |
| 78 | F | 89.9 | Confident | 87.6 | Confident | 65 Ų | 65 | 41.1 Ų | 41.1 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.7 | -51.3 | -176 | -66.4 | -88.5 | 0 | 0 | 0 | 112.3 | F15 V74 V75 Q80 V81 G82 | F15-F78 HydrophobicContact CE1-CD1 4.17Å; F15-F78 WeakPolarHBondContact CE2-O 3.5Å; F15-F78 HydrophobicContact CZ-CB 4.14Å; F15-F78 HydrophobicContact CZ-CD1 4.02Å; F15-F78 WeakPolarHBondContact CZ-O 3.45Å; V74-F78 HydrophobicContact CG1-CE2 4.3Å; V75-F78 PolarHBondContact O-N 3.28Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 2.94Å; F78-V81 PolarHBondContact O-N 3.43Å; F78-G82 PolarHBondContact O-N 3.37Å |
| 79 | P | 90.4 | Very high | 87.2 | Confident | 54 Ų | 54 | 46 Ų | 46 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 172.4 | -24.2 | 34.8 | 0 | 0 | 0 | 112.1 | V75 V81 G82 I83 T124 | V75-P79 WeakPolarHBondContact O-CD 3Å; P79-V81 PolarHBondContact O-N 2.97Å; P79-G82 PolarHBondContact O-N 2.95Å; P79-I83 HydrophobicContact CB-CD1 4.31Å; P79-I83 WeakPolarHBondContact O-CB 3.11Å; P79-I83 VanDerWaalsContact O-CD1 3.26Å; P79-I83 WeakPolarHBondContact O-CD1 3.28Å; P79-I83 WeakPolarHBondContact O-CG1 3.26Å; P79-I83 PolarHBondContact O-N 3.25Å; P79-T124 HydrophobicContact CB-CG2 3.89Å |
| 80 | Q | 88.3 | Confident | 86.8 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.7 | -51.8 | -179.5 | -174.3 | 78 | 26.3 | 0 | 0 | 111.7 | R76 I77 F78 Q84 T124 | R76-Q80 VanDerWaalsContact O-CB 3.23Å; R76-Q80 WeakPolarHBondContact O-CB 3.39Å; R76-Q80 PolarHBondContact O-N 3.47Å; R76-Q80 VanDerWaalsContact O-N 3.16Å; I77-Q80 PolarHBondContact O-N 2.99Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 2.94Å; Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 VanDerWaalsContact O-CG 3.27Å; Q80-Q84 WeakPolarHBondContact O-CG 3.32Å; Q80-Q84 PolarHBondContact O-N 3.27Å; Q80-Q84 VanDerWaalsContact O-N 3.16Å; Q80-T124 HydrophobicContact CB-CG2 4.3Å; Q80-T124 PolarHBondContact OE1-OG1 3.48Å |
| 81 | V | 85.5 | Confident | 86 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | -179.3 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | F15 A18 I77 F78 P79 Q84 Y85 | F15-V81 HydrophobicContact CD2-CG1 3.9Å; F15-V81 HydrophobicContact CE2-CB 4.21Å; F15-V81 HydrophobicContact CE2-CG1 4.03Å; A18-V81 HydrophobicContact CB-CG1 3.88Å; I77-V81 HydrophobicContact CG2-CG2 3.89Å; I77-V81 VanDerWaalsContact O-CB 3.29Å; I77-V81 WeakPolarHBondContact O-CB 3.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.02Å; F78-V81 PolarHBondContact O-N 3.43Å; P79-V81 PolarHBondContact O-N 2.97Å; V81-Q84 PolarHBondContact O-N 3.18Å; V81-Y85 HydrophobicContact CG1-CD2 3.5Å; V81-Y85 HydrophobicContact CG1-CE2 3.38Å; V81-Y85 WeakPolarHBondContact O-CD2 3.45Å; V81-Y85 PolarHBondContact O-N 3.32Å |
| 82 | G | 86.5 | Confident | 85.2 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 24% | 0.237 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F15 F78 P79 Y85 A86 | F15-G82 VanDerWaalsContact CE2-CA 3.45Å; F78-G82 PolarHBondContact O-N 3.37Å; P79-G82 PolarHBondContact O-N 2.95Å; G82-Y85 PolarHBondContact O-N 3.46Å; G82-A86 WeakPolarHBondContact O-CB 3.32Å; G82-A86 PolarHBondContact O-N 2.86Å |
| 83 | I | 87.2 | Confident | 84.5 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.1 | -65.8 | 158.5 | 0 | 0 | 0 | 110.3 | P79 A86 I87 I119 A120 L123 | P79-I83 HydrophobicContact CB-CD1 4.31Å; P79-I83 WeakPolarHBondContact O-CB 3.11Å; P79-I83 VanDerWaalsContact O-CD1 3.26Å; P79-I83 WeakPolarHBondContact O-CD1 3.28Å; P79-I83 WeakPolarHBondContact O-CG1 3.26Å; P79-I83 PolarHBondContact O-N 3.25Å; I83-A86 PolarHBondContact O-N 3.02Å; I83-I87 HydrophobicContact CG2-CD1 3.59Å; I83-I87 HydrophobicContact CG2-CG1 4.29Å; I83-I87 VanDerWaalsContact O-CG1 3.28Å; I83-I87 WeakPolarHBondContact O-CG1 3.33Å; I83-I87 PolarHBondContact O-N 2.61Å; I83-I119 HydrophobicContact CG2-CG2 4.21Å; I83-A120 HydrophobicContact CB-CB 4.11Å; I83-A120 HydrophobicContact CG2-CB 3.83Å; I83-L123 HydrophobicContact CD1-CB 3.67Å; I83-L123 HydrophobicContact CD1-CD1 3.5Å; I83-L123 HydrophobicContact CD1-CG 4.21Å; I83-L123 HydrophobicContact CG1-CD1 4.04Å; I83-L123 HydrophobicContact CG2-CD1 4.48Å |
| 84 | Q | 83 | Confident | 83.6 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 176.4 | -73.6 | 178.4 | 0.3 | 0 | 0 | 111 | Q80 V81 A86 I87 F88 A120 | Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 VanDerWaalsContact O-CG 3.27Å; Q80-Q84 WeakPolarHBondContact O-CG 3.32Å; Q80-Q84 PolarHBondContact O-N 3.27Å; Q80-Q84 VanDerWaalsContact O-N 3.16Å; V81-Q84 PolarHBondContact O-N 3.18Å; Q84-A86 VanDerWaalsContact C-N 3.35Å; Q84-A86 PolarHBondContact O-N 3.4Å; Q84-I87 PolarHBondContact O-N 3.35Å; Q84-F88 HydrophobicContact CB-CD2 4.42Å; Q84-F88 WeakPolarHBondContact O-CB 3.47Å; Q84-F88 WeakPolarHBondContact O-CD2 3.26Å; Q84-F88 PolarHBondContact O-N 3.32Å; Q84-A120 HydrophobicContact CG-CB 4.05Å |
| 85 | Y | 82 | Confident | 82.4 | Confident | 122 Ų | 122 | 62 Ų | 62 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 175.3 | -86.6 | -65.8 | 0 | 0 | 0 | 112.6 | F15 A18 V81 G82 F88 H89 | F15-Y85 HydrophobicContact CD2-CD2 4.28Å; A18-Y85 HydrophobicContact CB-CE2 4.14Å; V81-Y85 HydrophobicContact CG1-CD2 3.5Å; V81-Y85 HydrophobicContact CG1-CE2 3.38Å; V81-Y85 WeakPolarHBondContact O-CD2 3.45Å; V81-Y85 PolarHBondContact O-N 3.32Å; G82-Y85 PolarHBondContact O-N 3.46Å; Y85-F88 PolarHBondContact O-N 3.41Å; Y85-H89 VanDerWaalsContact O-CB 3.27Å; Y85-H89 WeakPolarHBondContact O-CB 3.27Å; Y85-H89 PolarHBondContact O-N 2.89Å |
| 86 | A | 84.9 | Confident | 80.8 | Confident | 57 Ų | 57 | 67 Ų | 67 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | G82 I83 Q84 H89 E90 | G82-A86 WeakPolarHBondContact O-CB 3.32Å; G82-A86 PolarHBondContact O-N 2.86Å; I83-A86 PolarHBondContact O-N 3.02Å; Q84-A86 VanDerWaalsContact C-N 3.35Å; Q84-A86 PolarHBondContact O-N 3.4Å; A86-H89 PolarHBondContact O-N 2.99Å; A86-E90 PolarHBondContact O-N 3.29Å |
| 87 | I | 83.1 | Confident | 79.3 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 21% | 0.205 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.4 | -40.7 | -179.3 | -61.9 | 169.1 | 0 | 0 | 0 | 110.9 | I83 Q84 H89 E90 Y91 A116 I119 | I83-I87 HydrophobicContact CG2-CD1 3.59Å; I83-I87 HydrophobicContact CG2-CG1 4.29Å; I83-I87 VanDerWaalsContact O-CG1 3.28Å; I83-I87 WeakPolarHBondContact O-CG1 3.33Å; I83-I87 PolarHBondContact O-N 2.61Å; Q84-I87 PolarHBondContact O-N 3.35Å; I87-H89 VanDerWaalsContact C-N 3.31Å; I87-H89 PolarHBondContact O-N 3.34Å; I87-E90 PolarHBondContact O-N 3.25Å; I87-Y91 VanDerWaalsContact O-CB 3.31Å; I87-Y91 WeakPolarHBondContact O-CB 3.36Å; I87-Y91 PolarHBondContact O-N 2.9Å; I87-A116 HydrophobicContact CB-CB 3.86Å; I87-A116 HydrophobicContact CD1-CB 4.11Å; I87-A116 HydrophobicContact CG2-CB 3.45Å; I87-A116 VanDerWaalsContact CG2-CB 3.45Å; I87-I119 HydrophobicContact CD1-CB 3.73Å; I87-I119 HydrophobicContact CD1-CD1 3.99Å; I87-I119 HydrophobicContact CD1-CG1 4.45Å; I87-I119 HydrophobicContact CD1-CG2 3.78Å |
| 88 | F | 77.9 | Confident | 77.5 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 40% | 0.404 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 175.2 | -83.4 | -65.1 | 0 | 0 | 0 | 112.4 | Q84 Y85 Y91 A92 A116 | Q84-F88 HydrophobicContact CB-CD2 4.42Å; Q84-F88 WeakPolarHBondContact O-CB 3.47Å; Q84-F88 WeakPolarHBondContact O-CD2 3.26Å; Q84-F88 PolarHBondContact O-N 3.32Å; Y85-F88 PolarHBondContact O-N 3.41Å; F88-Y91 PolarHBondContact O-N 3.24Å; F88-A92 VanDerWaalsContact O-CB 3.26Å; F88-A92 WeakPolarHBondContact O-CB 3.29Å; F88-A92 PolarHBondContact O-N 3.47Å; F88-A116 HydrophobicContact CE2-CB 4.46Å |
| 89 | H | 78.7 | Confident | 75.9 | Confident | 116 Ų | 116 | 78.9 Ų | 78.9 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.4 | -175.7 | -100.9 | 0 | 0 | 0 | 111.6 | Y85 A86 I87 A92 K93 | Y85-H89 VanDerWaalsContact O-CB 3.27Å; Y85-H89 WeakPolarHBondContact O-CB 3.27Å; Y85-H89 PolarHBondContact O-N 2.89Å; A86-H89 PolarHBondContact O-N 2.99Å; I87-H89 VanDerWaalsContact C-N 3.31Å; I87-H89 PolarHBondContact O-N 3.34Å; H89-A92 PolarHBondContact O-N 2.63Å; H89-K93 WeakPolarHBondContact CE1-CE 3.12Å; H89-K93 WeakPolarHBondContact ND1-CE 3.32Å; H89-K93 PolarHBondContact O-N 3.42Å |
| 90 | E | 78.5 | Confident | 74.4 | Confident | 103 Ų | 103 | 84.1 Ų | 84.1 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.4 | -67.2 | -48.8 | 134.1 | 0 | 0 | 112.2 | A86 I87 A92 K93 T94 | A86-E90 PolarHBondContact O-N 3.29Å; I87-E90 PolarHBondContact O-N 3.25Å; E90-A92 VanDerWaalsContact C-N 3.34Å; E90-A92 PolarHBondContact O-N 2.97Å; E90-K93 VanDerWaalsContact CD-NZ 3.26Å; E90-K93 PolarHBondContact O-N 3.06Å; E90-K93 IonicContact OE1-NZ 2.91Å; E90-K93 PolarHBondContact OE1-NZ 3.22Å; E90-K93 IonicContact OE2-NZ 3.59Å; E90-K93 PolarHBondContact OE2-NZ 2.89Å; E90-T94 PolarHBondContact O-N 3.05Å |
| 91 | Y | 74.3 | Confident | 73 | Confident | 51 Ų | 51 | 89.4 Ų | 89.4 | 20% | 0.2 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.9 | -179.7 | -110.2 | 0 | 0 | 0 | 112.2 | I87 F88 K93 T94 V95 K108 T109 A112 | I87-Y91 VanDerWaalsContact O-CB 3.31Å; I87-Y91 WeakPolarHBondContact O-CB 3.36Å; I87-Y91 PolarHBondContact O-N 2.9Å; F88-Y91 PolarHBondContact O-N 3.24Å; Y91-K93 PolarHBondContact O-N 2.85Å; Y91-T94 PolarHBondContact O-N 2.99Å; Y91-T94 PolarHBondContact O-OG1 3.46Å; Y91-V95 HydrophobicContact CD1-CG2 4.12Å; Y91-V95 HydrophobicContact CD2-CG2 4.18Å; Y91-V95 HydrophobicContact CE1-CG2 3.59Å; Y91-V95 HydrophobicContact CE2-CG2 3.64Å; Y91-V95 HydrophobicContact CG-CG2 4.4Å; Y91-V95 PolarHBondContact O-N 3.38Å; Y91-V95 VanDerWaalsContact O-N 3.17Å; Y91-K108 VanDerWaalsContact OH-C 3.24Å; Y91-K108 PolarHBondContact OH-O 3.47Å; Y91-T109 PolarHBondContact OH-N 3.3Å; Y91-A112 HydrophobicContact CD1-CB 4.03Å; Y91-A112 HydrophobicContact CD2-CB 3.41Å; Y91-A112 VanDerWaalsContact CD2-CB 3.41Å; Y91-A112 HydrophobicContact CE1-CB 3.87Å; Y91-A112 HydrophobicContact CE2-CB 3.24Å; Y91-A112 HydrophobicContact CG-CB 3.8Å; Y91-A112 VanDerWaalsContact CZ-CB 3.46Å |
| 92 | A | 74.3 | Confident | 72.2 | Confident | 65 Ų | 65 | 92.8 Ų | 92.8 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -30.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F88 H89 E90 T94 | F88-A92 VanDerWaalsContact O-CB 3.26Å; F88-A92 WeakPolarHBondContact O-CB 3.29Å; F88-A92 PolarHBondContact O-N 3.47Å; H89-A92 PolarHBondContact O-N 2.63Å; E90-A92 VanDerWaalsContact C-N 3.34Å; E90-A92 PolarHBondContact O-N 2.97Å; A92-T94 VanDerWaalsContact C-N 3.32Å |
| 93 | K | 76.3 | Confident | 71.6 | Confident | 129 Ų | 129 | 98.1 Ų | 98.1 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.2 | -34.1 | 173.4 | -64.3 | 174.7 | -167 | 165.7 | 0 | 112.4 | H89 E90 Y91 | H89-K93 WeakPolarHBondContact CE1-CE 3.12Å; H89-K93 WeakPolarHBondContact ND1-CE 3.32Å; H89-K93 PolarHBondContact O-N 3.42Å; E90-K93 VanDerWaalsContact CD-NZ 3.26Å; E90-K93 PolarHBondContact O-N 3.06Å; E90-K93 IonicContact OE1-NZ 2.91Å; E90-K93 PolarHBondContact OE1-NZ 3.22Å; E90-K93 IonicContact OE2-NZ 3.59Å; E90-K93 PolarHBondContact OE2-NZ 2.89Å; Y91-K93 PolarHBondContact O-N 2.85Å |
| 94 | T | 70.7 | Confident | 71 | Confident | 104 Ų | 104 | 102 Ų | 102 | 64% | 0.638 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.5 | -26.4 | -178.3 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | E90 Y91 A92 | E90-T94 PolarHBondContact O-N 3.05Å; Y91-T94 PolarHBondContact O-N 2.99Å; Y91-T94 PolarHBondContact O-OG1 3.46Å; A92-T94 VanDerWaalsContact C-N 3.32Å |
| 95 | V | 66.4 | Low | 70.5 | Confident | 34 Ų | 34 | 105.2 Ų | 105.2 | 21% | 0.206 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -88.5 | 112.5 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | Y91 | Y91-V95 HydrophobicContact CD1-CG2 4.12Å; Y91-V95 HydrophobicContact CD2-CG2 4.18Å; Y91-V95 HydrophobicContact CE1-CG2 3.59Å; Y91-V95 HydrophobicContact CE2-CG2 3.64Å; Y91-V95 HydrophobicContact CG-CG2 4.4Å; Y91-V95 PolarHBondContact O-N 3.38Å; Y91-V95 VanDerWaalsContact O-N 3.17Å |
| 96 | K | 59.5 | Low | 70.1 | Confident | 173 Ų | 173 | 101.9 Ų | 101.9 | 75% | 0.752 | 53% | 0.534 | S | S | * | . | trans | -59.8 | 137.7 | 175 | -67.5 | -175.7 | 179.4 | -177.9 | 0 | 110.3 | I98 | K96-I98 PolarHBondContact O-N 3.18Š| ||
| 97 | P | 59 | Low | 69.7 | Low | 134 Ų | 134 | 102.8 Ų | 102.8 | 87% | 0.87 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.6 | -175.8 | -24.3 | 33.4 | 0 | 0 | 0 | 115.8 | ||
| 98 | I | 50.8 | Low | 69.5 | Low | 160 Ų | 160 | 105.5 Ų | 105.5 | 82% | 0.821 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 23.8 | -161.4 | -35.6 | 176.1 | 0 | 0 | 0 | 112.4 | K96 K100 | K96-I98 PolarHBondContact O-N 3.18Å; I98-K100 PolarHBondContact O-N 3.19Å |
| 99 | E | 56.3 | Low | 69.4 | Low | 81 Ų | 81 | 103.8 Ų | 103.8 | 38% | 0.379 | 54% | 0.541 | S | S | . | . | trans | -79.5 | 117.2 | 169.6 | -110.6 | 178 | 175 | 0 | 0 | 109.4 | K108 | E99-K108 IonicContact OE1-NZ 3.39Å; E99-K108 PolarHBondContact OE1-NZ 3.41Å; E99-K108 IonicContact OE2-NZ 2.73Å | ||
| 100 | K | 58.4 | Low | 69.4 | Low | 165 Ų | 165 | 100.9 Ų | 100.9 | 72% | 0.717 | 53% | 0.527 | S | S | * | . | trans | -50.3 | 149.1 | 169.9 | -71.7 | -177.2 | 179.9 | 178.1 | 0 | 110 | I98 N102 | I98-K100 PolarHBondContact O-N 3.19Å; K100-N102 VanDerWaalsContact C-N 3.26Å; K100-N102 PolarHBondContact O-N 2.7Å | ||
| 101 | P | 60.1 | Low | 69.6 | Low | 126 Ų | 126 | 99.3 Ų | 99.3 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -63.8 | 87.7 | 176.5 | 27.8 | -34.5 | 0 | 0 | 0 | 110.2 | ||
| 102 | N | 68.6 | Low | 69.9 | Low | 96 Ų | 96 | 97.6 Ų | 97.6 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | trans | -113.1 | 155.3 | 176 | -70.2 | -14.5 | 0 | 0 | 0 | 108.9 | K100 N104 R105 S106 | K100-N102 VanDerWaalsContact C-N 3.26Å; K100-N102 PolarHBondContact O-N 2.7Å; N102-N104 PolarHBondContact O-N 3.22Å; N102-N104 VanDerWaalsContact O-N 3.07Å; N102-R105 WeakPolarHBondContact O-CB 3.3Å; N102-R105 PolarHBondContact O-N 3.45Å; N102-S106 PolarHBondContact O-N 2.92Å | ||
| 103 | L | 72.8 | Confident | 70.2 | Confident | 135 Ų | 135 | 95.3 Ų | 95.3 | 71% | 0.707 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -49.1 | -38.6 | 177.9 | -176.8 | 63.1 | 0 | 0 | 0 | 112.6 | R105 S106 V107 | L103-R105 VanDerWaalsContact C-N 3.28Å; L103-R105 PolarHBondContact O-N 3.27Å; L103-S106 PolarHBondContact O-N 3.18Å; L103-S106 VanDerWaalsContact O-N 3.16Å; L103-V107 HydrophobicContact CD1-CG2 4.4Å; L103-V107 HydrophobicContact CG-CG2 4.36Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.21Å |
| 104 | N | 74.7 | Confident | 70.5 | Confident | 111 Ų | 111 | 89.2 Ų | 89.2 | 59% | 0.594 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.4 | -36.6 | 177.6 | -67.9 | -8.7 | 0 | 0 | 0 | 112.9 | N102 K108 | N102-N104 PolarHBondContact O-N 3.22Å; N102-N104 VanDerWaalsContact O-N 3.07Å; N104-K108 VanDerWaalsContact O-CB 3.3Å; N104-K108 WeakPolarHBondContact O-CB 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.29Å; N104-K108 PolarHBondContact O-N 3.38Å |
| 105 | R | 72.5 | Confident | 71.3 | Confident | 115 Ų | 115 | 88.3 Ų | 88.3 | 43% | 0.434 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 177.3 | -173.2 | 179.7 | -174.9 | -95.9 | 0.8 | 111.1 | N102 L103 K108 T109 | N102-R105 WeakPolarHBondContact O-CB 3.3Å; N102-R105 PolarHBondContact O-N 3.45Å; L103-R105 VanDerWaalsContact C-N 3.28Å; L103-R105 PolarHBondContact O-N 3.27Å; R105-K108 PolarHBondContact O-N 3.04Å; R105-T109 WeakPolarHBondContact O-CB 3.29Å; R105-T109 PolarHBondContact O-N 3.26Å; R105-T109 PolarHBondContact O-OG1 3.39Å |
| 106 | S | 73.4 | Confident | 72.2 | Confident | 52 Ų | 52 | 86.7 Ų | 86.7 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | N102 L103 T109 F110 | N102-S106 PolarHBondContact O-N 2.92Å; L103-S106 PolarHBondContact O-N 3.18Å; L103-S106 VanDerWaalsContact O-N 3.16Å; S106-T109 PolarHBondContact O-N 3.45Å; S106-F110 VanDerWaalsContact O-CB 3.26Å; S106-F110 WeakPolarHBondContact O-CB 3.09Å; S106-F110 PolarHBondContact O-N 2.87Å |
| 107 | V | 77.4 | Confident | 73.4 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 46% | 0.461 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L103 T109 F110 V111 | L103-V107 HydrophobicContact CD1-CG2 4.4Å; L103-V107 HydrophobicContact CG-CG2 4.36Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.21Å; V107-T109 PolarHBondContact O-N 3.04Å; V107-F110 PolarHBondContact O-N 3.2Å; V107-V111 HydrophobicContact CG1-CG2 4.3Å; V107-V111 WeakPolarHBondContact O-CB 3.12Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 3.36Å |
| 108 | K | 78.9 | Confident | 74.9 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 43% | 0.426 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 175.7 | -75.6 | 173.3 | -172.7 | 177.6 | 0 | 111.6 | Y91 E99 N104 R105 F110 V111 A112 | Y91-K108 VanDerWaalsContact OH-C 3.24Å; Y91-K108 PolarHBondContact OH-O 3.47Å; E99-K108 IonicContact OE1-NZ 3.39Å; E99-K108 PolarHBondContact OE1-NZ 3.41Å; E99-K108 IonicContact OE2-NZ 2.73Å; N104-K108 VanDerWaalsContact O-CB 3.3Å; N104-K108 WeakPolarHBondContact O-CB 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.29Å; N104-K108 PolarHBondContact O-N 3.38Å; R105-K108 PolarHBondContact O-N 3.04Å; K108-F110 VanDerWaalsContact C-N 3.33Å; K108-V111 PolarHBondContact O-N 3.34Å; K108-A112 VanDerWaalsContact O-CB 3.25Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 3.35Å |
| 109 | T | 76.7 | Confident | 76.8 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 179.4 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | Y91 R105 S106 V107 G113 | Y91-T109 PolarHBondContact OH-N 3.3Å; R105-T109 WeakPolarHBondContact O-CB 3.29Å; R105-T109 PolarHBondContact O-N 3.26Å; R105-T109 PolarHBondContact O-OG1 3.39Å; S106-T109 PolarHBondContact O-N 3.45Å; V107-T109 PolarHBondContact O-N 3.04Å; T109-G113 PolarHBondContact O-N 3Å |
| 110 | F | 78.4 | Confident | 78.5 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.6 | -49.3 | 175.4 | 176.7 | -97.4 | 0 | 0 | 0 | 112 | S106 V107 K108 G113 G114 F185 | S106-F110 VanDerWaalsContact O-CB 3.26Å; S106-F110 WeakPolarHBondContact O-CB 3.09Å; S106-F110 PolarHBondContact O-N 2.87Å; V107-F110 PolarHBondContact O-N 3.2Å; K108-F110 VanDerWaalsContact C-N 3.33Å; F110-G113 PolarHBondContact O-N 2.91Å; F110-G114 PolarHBondContact O-N 3.23Å; F110-F185 HydrophobicContact CD2-CB 4.02Å; F110-F185 HydrophobicContact CD2-CD2 4.23Å; F110-F185 HydrophobicContact CD2-CG 4Å; F110-F185 HydrophobicContact CE2-CB 4.09Å |
| 111 | V | 81.6 | Confident | 80 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 178.5 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | V107 K108 G114 I115 | V107-V111 HydrophobicContact CG1-CG2 4.3Å; V107-V111 WeakPolarHBondContact O-CB 3.12Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 3.36Å; K108-V111 PolarHBondContact O-N 3.34Å; V111-G114 PolarHBondContact O-N 3.05Å; V111-I115 HydrophobicContact CG1-CD1 3.7Å; V111-I115 HydrophobicContact CG1-CG1 4.39Å; V111-I115 WeakPolarHBondContact O-CB 3.26Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.21Å |
| 112 | A | 81 | Confident | 81.6 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y91 K108 G114 I115 A116 | Y91-A112 HydrophobicContact CD1-CB 4.03Å; Y91-A112 HydrophobicContact CD2-CB 3.41Å; Y91-A112 VanDerWaalsContact CD2-CB 3.41Å; Y91-A112 HydrophobicContact CE1-CB 3.87Å; Y91-A112 HydrophobicContact CE2-CB 3.24Å; Y91-A112 HydrophobicContact CG-CB 3.8Å; Y91-A112 VanDerWaalsContact CZ-CB 3.46Å; K108-A112 VanDerWaalsContact O-CB 3.25Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 3.35Å; A112-G114 VanDerWaalsContact C-N 3.34Å; A112-G114 PolarHBondContact O-N 3.17Å; A112-I115 PolarHBondContact O-N 3.35Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.79Å |
| 113 | G | 80.5 | Confident | 82.7 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T109 F110 A116 H117 | T109-G113 PolarHBondContact O-N 3Å; F110-G113 PolarHBondContact O-N 2.91Å; G113-A116 PolarHBondContact O-N 3.45Å; G113-H117 WeakPolarHBondContact O-CB 3.44Å; G113-H117 PolarHBondContact O-N 3.41Å |
| 114 | G | 83.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F110 V111 A112 H117 N118 | F110-G114 PolarHBondContact O-N 3.23Å; V111-G114 PolarHBondContact O-N 3.05Å; A112-G114 VanDerWaalsContact C-N 3.34Å; A112-G114 PolarHBondContact O-N 3.17Å; G114-H117 PolarHBondContact O-N 3.18Å; G114-N118 PolarHBondContact O-N 3.02Å; G114-N118 PolarHBondContact O-ND2 3.32Å |
| 115 | I | 85.5 | Confident | 84.4 | Confident | 85 Ų | 85 | 45.7 Ų | 45.7 | 44% | 0.436 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.2 | -68.4 | 166.8 | 0 | 0 | 0 | 110.3 | V111 A112 H117 N118 I119 | V111-I115 HydrophobicContact CG1-CD1 3.7Å; V111-I115 HydrophobicContact CG1-CG1 4.39Å; V111-I115 WeakPolarHBondContact O-CB 3.26Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.21Å; A112-I115 PolarHBondContact O-N 3.35Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 2.86Å; I115-N118 PolarHBondContact O-N 3.39Å; I115-N118 VanDerWaalsContact O-N 3.15Å; I115-I119 HydrophobicContact CG2-CD1 3.68Å; I115-I119 HydrophobicContact CG2-CG1 4.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.48Å |
| 116 | A | 86 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | I87 F88 A112 G113 A120 | I87-A116 HydrophobicContact CB-CB 3.86Å; I87-A116 HydrophobicContact CD1-CB 4.11Å; I87-A116 HydrophobicContact CG2-CB 3.45Å; I87-A116 VanDerWaalsContact CG2-CB 3.45Å; F88-A116 HydrophobicContact CE2-CB 4.46Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.79Å; G113-A116 PolarHBondContact O-N 3.45Å; A116-A120 WeakPolarHBondContact O-CB 3.28Å; A116-A120 PolarHBondContact O-N 2.91Å |
| 117 | H | 85.2 | Confident | 86.3 | Confident | 57 Ų | 57 | 40.8 Ų | 40.8 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 177.3 | -162.9 | 102.1 | 0 | 0 | 0 | 111.7 | G113 G114 I115 A120 T121 | G113-H117 WeakPolarHBondContact O-CB 3.44Å; G113-H117 PolarHBondContact O-N 3.41Å; G114-H117 PolarHBondContact O-N 3.18Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 2.86Å; H117-A120 PolarHBondContact O-N 2.75Å; H117-T121 WeakPolarHBondContact O-CB 3.31Å; H117-T121 PolarHBondContact O-N 2.85Å; H117-T121 PolarHBondContact O-OG1 2.98Å |
| 118 | N | 90.7 | Very high | 87 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -39.1 | 180 | -81.6 | -74.1 | 0 | 0 | 0 | 113.1 | G114 I115 A120 T121 L122 L174 F178 | G114-N118 PolarHBondContact O-N 3.02Å; G114-N118 PolarHBondContact O-ND2 3.32Å; I115-N118 PolarHBondContact O-N 3.39Å; I115-N118 VanDerWaalsContact O-N 3.15Å; N118-A120 VanDerWaalsContact C-N 3.35Å; N118-T121 PolarHBondContact O-N 2.98Å; N118-L122 WeakPolarHBondContact O-CB 3.34Å; N118-L122 PolarHBondContact O-N 3.35Å; N118-L174 HydrophobicContact CB-CD2 3.95Å; N118-L174 WeakPolarHBondContact OD1-CA 3.25Å; N118-L174 WeakPolarHBondContact OD1-CB 3.46Å; N118-L174 WeakPolarHBondContact OD1-CD2 3.44Å; N118-L174 PolarHBondContact OD1-O 3Å; N118-F178 WeakPolarHBondContact ND2-CE2 3.28Å; N118-F178 VanDerWaalsContact ND2-CZ 3.29Å; N118-F178 WeakPolarHBondContact ND2-CZ 2.87Å |
| 119 | I | 91.3 | Very high | 87.5 | Confident | 72 Ų | 72 | 33.4 Ų | 33.4 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.6 | -43 | 174.5 | -66.1 | 168.4 | 0 | 0 | 0 | 110.1 | I83 I87 I115 T121 L122 L123 | I83-I119 HydrophobicContact CG2-CG2 4.21Å; I87-I119 HydrophobicContact CD1-CB 3.73Å; I87-I119 HydrophobicContact CD1-CD1 3.99Å; I87-I119 HydrophobicContact CD1-CG1 4.45Å; I87-I119 HydrophobicContact CD1-CG2 3.78Å; I115-I119 HydrophobicContact CG2-CD1 3.68Å; I115-I119 HydrophobicContact CG2-CG1 4.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.48Å; I119-T121 VanDerWaalsContact C-N 3.33Å; I119-T121 PolarHBondContact O-N 2.93Å; I119-L122 PolarHBondContact O-N 3.35Å; I119-L123 HydrophobicContact CG2-CD1 4.34Å; I119-L123 PolarHBondContact O-N 3.4Å; I119-L123 VanDerWaalsContact O-N 3.1Å |
| 120 | A | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I83 Q84 A116 H117 N118 L123 T124 | I83-A120 HydrophobicContact CB-CB 4.11Å; I83-A120 HydrophobicContact CG2-CB 3.83Å; Q84-A120 HydrophobicContact CG-CB 4.05Å; A116-A120 WeakPolarHBondContact O-CB 3.28Å; A116-A120 PolarHBondContact O-N 2.91Å; H117-A120 PolarHBondContact O-N 2.75Å; N118-A120 VanDerWaalsContact C-N 3.35Å; A120-L123 PolarHBondContact O-N 3.19Å; A120-T124 WeakPolarHBondContact O-CB 3.48Å; A120-T124 WeakPolarHBondContact O-CG2 3.28Å; A120-T124 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-OG1 3.31Å |
| 121 | T | 91 | Very high | 88.7 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 111 | H117 N118 I119 L123 T124 H125 | H117-T121 WeakPolarHBondContact O-CB 3.31Å; H117-T121 PolarHBondContact O-N 2.85Å; H117-T121 PolarHBondContact O-OG1 2.98Å; N118-T121 PolarHBondContact O-N 2.98Å; I119-T121 VanDerWaalsContact C-N 3.33Å; I119-T121 PolarHBondContact O-N 2.93Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.43Å; T121-T124 CarbonylContact O-C 3.57Å; T121-T124 PolarHBondContact O-N 2.89Å; T121-T124 PolarHBondContact O-OG1 2.89Å; T121-H125 WeakPolarHBondContact O-CA 3.36Å; T121-H125 WeakPolarHBondContact O-CB 3.13Å; T121-H125 PolarHBondContact O-N 3.2Å |
| 122 | L | 92.5 | Very high | 89.1 | Confident | 69 Ų | 69 | 25.2 Ų | 25.2 | 36% | 0.361 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -56 | -47.6 | 179 | 178.8 | 65.6 | 0 | 0 | 0 | 111.8 | N118 I119 Y167 L170 | N118-L122 WeakPolarHBondContact O-CB 3.34Å; N118-L122 PolarHBondContact O-N 3.35Å; I119-L122 PolarHBondContact O-N 3.35Å; L122-Y167 HydrophobicContact CD1-CD1 4.48Å; L122-Y167 HydrophobicContact CD1-CE1 4.12Å; L122-L170 HydrophobicContact CD1-CD1 3.9Å; L122-L170 HydrophobicContact CD1-CD2 3.58Å; L122-L170 HydrophobicContact CD1-CG 4.38Å |
| 123 | L | 91.7 | Very high | 89.4 | Confident | 101 Ų | 101 | 24.5 Ų | 24.5 | 53% | 0.529 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -73 | -31.5 | -178.9 | -69.3 | 178.4 | 0 | 0 | 0 | 113.3 | I83 I119 A120 T121 | I83-L123 HydrophobicContact CD1-CB 3.67Å; I83-L123 HydrophobicContact CD1-CD1 3.5Å; I83-L123 HydrophobicContact CD1-CG 4.21Å; I83-L123 HydrophobicContact CG1-CD1 4.04Å; I83-L123 HydrophobicContact CG2-CD1 4.48Å; I119-L123 HydrophobicContact CG2-CD1 4.34Å; I119-L123 PolarHBondContact O-N 3.4Å; I119-L123 VanDerWaalsContact O-N 3.1Å; A120-L123 PolarHBondContact O-N 3.19Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.43Å |
| 124 | T | 91.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -94.5 | -8.2 | 179.7 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | R76 P79 Q80 A120 T121 P126 L127 D128 | R76-T124 HydrophobicContact CG-CG2 4.32Å; P79-T124 HydrophobicContact CB-CG2 3.89Å; Q80-T124 HydrophobicContact CB-CG2 4.3Å; Q80-T124 PolarHBondContact OE1-OG1 3.48Å; A120-T124 WeakPolarHBondContact O-CB 3.48Å; A120-T124 WeakPolarHBondContact O-CG2 3.28Å; A120-T124 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-OG1 3.31Å; T121-T124 CarbonylContact O-C 3.57Å; T121-T124 PolarHBondContact O-N 2.89Å; T121-T124 PolarHBondContact O-OG1 2.89Å; T124-P126 VanDerWaalsContact C-N 3.31Å; T124-L127 WeakPolarHBondContact O-CB 3.21Å; T124-L127 PolarHBondContact O-N 3.42Å; T124-D128 PolarHBondContact O-N 3.28Å |
| 125 | H | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.3 | -38.4 | -178.6 | -166.1 | 73.2 | 0 | 0 | 0 | 113.7 | T121 L127 D128 V129 I166 R168 L170 S173 | T121-H125 WeakPolarHBondContact O-CA 3.36Å; T121-H125 WeakPolarHBondContact O-CB 3.13Å; T121-H125 PolarHBondContact O-N 3.2Å; H125-L127 PolarHBondContact O-N 2.59Å; H125-D128 WeakPolarHBondContact O-CB 3.46Å; H125-D128 PolarHBondContact O-N 2.86Å; H125-V129 WeakPolarHBondContact NE2-CG2 3.21Å; H125-V129 PolarHBondContact O-N 3.41Å; H125-I166 PolarHBondContact CD2-O 3.47Å; H125-R168 PolarHBondContact NE2-O 3.34Å; H125-L170 HydrophobicContact CB-CD1 4.21Å; H125-S173 PolarHBondContact CE1-OG 2.93Å; H125-S173 PolarHBondContact ND1-OG 3.12Å |
| 126 | P | 92.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 19.6 Ų | 19.6 | 19% | 0.188 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.1 | -41.7 | 172 | -31.4 | 37.9 | 0 | 0 | 0 | 114.1 | T124 V129 V130 I166 Y167 | T124-P126 VanDerWaalsContact C-N 3.31Å; P126-V129 PolarHBondContact O-N 3.41Å; P126-V130 VanDerWaalsContact O-CG2 3.31Å; P126-V130 WeakPolarHBondContact O-CG2 3.44Å; P126-V130 PolarHBondContact O-N 2.91Å; P126-I166 HydrophobicContact CB-CG2 3.27Å; P126-I166 HydrophobicContact CG-CG2 3.55Å; P126-Y167 HydrophobicContact CG-CE1 4.44Å |
| 127 | L | 92.2 | Very high | 89.3 | Confident | 34 Ų | 34 | 20.2 Ų | 20.2 | 18% | 0.178 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.4 | -33.1 | 179.3 | -60.5 | 172.7 | 0 | 0 | 0 | 111.5 | V72 V75 R76 T124 H125 K131 | V72-L127 HydrophobicContact CG1-CB 4.03Å; V72-L127 HydrophobicContact CG1-CD2 4.17Å; V72-L127 VanDerWaalsContact CG1-O 3.3Å; V72-L127 WeakPolarHBondContact CG1-O 3.26Å; V75-L127 HydrophobicContact CG1-CD1 4.39Å; R76-L127 HydrophobicContact CB-CB 4.17Å; R76-L127 HydrophobicContact CB-CD1 3.81Å; R76-L127 HydrophobicContact CG-CB 4Å; R76-L127 HydrophobicContact CG-CD1 3.97Å; T124-L127 WeakPolarHBondContact O-CB 3.21Å; T124-L127 PolarHBondContact O-N 3.42Å; H125-L127 PolarHBondContact O-N 2.59Å; L127-K131 WeakPolarHBondContact O-CB 3.34Å; L127-K131 PolarHBondContact O-N 2.9Å |
| 128 | D | 91.9 | Very high | 88.4 | Confident | 18 Ų | 18 | 18.2 Ų | 18.2 | 10% | 0.096 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 174.5 | -76.7 | -22.1 | 0 | 0 | 0 | 111.6 | R76 T124 H125 T132 R231 M235 | R76-D128 WeakPolarHBondContact CD-OD1 3.28Å; R76-D128 IonicContact CZ-OD1 2.79Å; R76-D128 IonicContact NE-OD1 3.78Å; R76-D128 PolarHBondContact NE-OD1 2.76Å; R76-D128 IonicContact NH1-OD1 2.71Å; R76-D128 PolarHBondContact NH1-OD1 2.95Å; R76-D128 IonicContact NH1-OD2 3.02Å; T124-D128 PolarHBondContact O-N 3.28Å; H125-D128 WeakPolarHBondContact O-CB 3.46Å; H125-D128 PolarHBondContact O-N 2.86Å; D128-T132 WeakPolarHBondContact O-CB 3.36Å; D128-T132 PolarHBondContact O-N 3.06Å; D128-T132 PolarHBondContact O-OG1 3.47Å; D128-R231 IonicContact OD2-CZ 3.38Å; D128-R231 IonicContact OD2-NH2 3.49Å; D128-R231 PolarHBondContact OD2-NH2 2.96Å; D128-M235 HydrophobicContact CB-SD 4.46Å |
| 129 | V | 90.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.5 | -47.7 | 176.3 | 175 | 0 | 0 | 0 | 0 | 111.2 | H125 P126 K131 T132 R133 I166 M235 | H125-V129 WeakPolarHBondContact NE2-CG2 3.21Å; H125-V129 PolarHBondContact O-N 3.41Å; P126-V129 PolarHBondContact O-N 3.41Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 3.48Å; V129-T132 PolarHBondContact O-N 3.43Å; V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.29Å; V129-R133 WeakPolarHBondContact O-CG 3.27Å; V129-R133 PolarHBondContact O-N 2.83Å; V129-I166 WeakPolarHBondContact CG2-O 3.39Å; V129-M235 HydrophobicContact CG2-CB 4.46Å; V129-M235 HydrophobicContact CG2-CG 4.08Å; V129-M235 HydrophobicContact CG2-SD 4.25Å |
| 130 | V | 89.8 | Confident | 84.6 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | V72 P126 T132 R133 T134 W150 L154 I157 | V72-V130 HydrophobicContact CG1-CB 4.48Å; V72-V130 HydrophobicContact CG1-CG1 4.42Å; V72-V130 HydrophobicContact CG2-CG1 4.16Å; P126-V130 VanDerWaalsContact O-CG2 3.31Å; P126-V130 WeakPolarHBondContact O-CG2 3.44Å; P126-V130 PolarHBondContact O-N 2.91Å; V130-T132 PolarHBondContact O-N 3Å; V130-R133 PolarHBondContact O-N 2.95Å; V130-T134 WeakPolarHBondContact O-CB 3.17Å; V130-T134 PolarHBondContact O-N 2.88Å; V130-T134 PolarHBondContact O-OG1 3.16Å; V130-W150 HydrophobicContact CG1-CB 4.04Å; V130-L154 HydrophobicContact CG2-CB 3.97Å; V130-L154 HydrophobicContact CG2-CD1 3.72Å; V130-L154 HydrophobicContact CG2-CG 4.35Å; V130-I157 HydrophobicContact CG2-CD1 4.03Å |
| 131 | K | 90.3 | Very high | 82.5 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.3 | -50.7 | 177 | 171.8 | 169.8 | -176.2 | 149.3 | 0 | 111.8 | H30 S33 I37 A69 V72 S73 L127 V129 R133 T134 I135 | H30-K131 PolarHBondContact NE2-NZ 3.35Å; H30-K131 VanDerWaalsContact NE2-NZ 3.16Å; S33-K131 PolarHBondContact OG-NZ 3.22Å; I37-K131 HydrophobicContact CD1-CD 4.39Å; I37-K131 HydrophobicContact CD1-CG 4.4Å; A69-K131 HydrophobicContact CB-CB 4.35Å; A69-K131 HydrophobicContact CB-CG 4.07Å; V72-K131 HydrophobicContact CG1-CB 4.07Å; S73-K131 PolarHBondContact OG-NZ 3.28Å; L127-K131 WeakPolarHBondContact O-CB 3.34Å; L127-K131 PolarHBondContact O-N 2.9Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 3.48Å; K131-R133 VanDerWaalsContact C-N 3.35Å; K131-R133 PolarHBondContact O-N 3.39Å; K131-T134 PolarHBondContact O-N 3.46Å; K131-I135 HydrophobicContact CD-CD1 4.45Å; K131-I135 HydrophobicContact CG-CD1 3.82Å; K131-I135 WeakPolarHBondContact O-CG1 3.29Å; K131-I135 PolarHBondContact O-N 3.48Å; K131-I135 VanDerWaalsContact O-N 3.09Å |
| 132 | T | 90.5 | Very high | 80.2 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | -176.7 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | I37 D128 V129 V130 I135 V136 M235 A236 | I37-T132 HydrophobicContact CG2-CG2 3.98Å; D128-T132 WeakPolarHBondContact O-CB 3.36Å; D128-T132 PolarHBondContact O-N 3.06Å; D128-T132 PolarHBondContact O-OG1 3.47Å; V129-T132 PolarHBondContact O-N 3.43Å; V130-T132 PolarHBondContact O-N 3Å; T132-I135 PolarHBondContact O-N 2.93Å; T132-V136 WeakPolarHBondContact O-CG2 3.46Å; T132-V136 PolarHBondContact O-N 3.14Å; T132-M235 HydrophobicContact CG2-CB 4.04Å; T132-A236 HydrophobicContact CG2-CB 3.97Å |
| 133 | R | 86.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 179.6 | -71.1 | -176.7 | -174 | -171.1 | 11.8 | 112.8 | V129 V130 K131 I135 V136 C137 T153 E161 G165 M235 S238 L241 | V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.29Å; V129-R133 WeakPolarHBondContact O-CG 3.27Å; V129-R133 PolarHBondContact O-N 2.83Å; V130-R133 PolarHBondContact O-N 2.95Å; K131-R133 VanDerWaalsContact C-N 3.35Å; K131-R133 PolarHBondContact O-N 3.39Å; R133-I135 VanDerWaalsContact C-N 3.25Å; R133-I135 PolarHBondContact O-N 2.9Å; R133-V136 WeakPolarHBondContact O-CG2 3.49Å; R133-V136 PolarHBondContact O-N 3.4Å; R133-C137 PolarHBondContact O-N 3.42Å; R133-C137 VanDerWaalsContact O-N 3.12Å; R133-C137 PolarHBondContact O-SG 3.32Å; R133-T153 HydrophobicContact CB-CG2 3.99Å; R133-E161 IonicContact CZ-OE1 4Å; R133-E161 IonicContact CZ-OE2 2.86Å; R133-E161 IonicContact NH1-OE1 2.63Å; R133-E161 PolarHBondContact NH1-OE1 3.34Å; R133-E161 IonicContact NH1-OE2 3.1Å; R133-E161 PolarHBondContact NH1-OE2 3.42Å; R133-E161 IonicContact NH2-OE1 3.14Å; R133-E161 IonicContact NH2-OE2 3.25Å; R133-E161 PolarHBondContact NH2-OE2 2.9Å; R133-G165 PolarHBondContact NH2-O 3.47Å; R133-G165 VanDerWaalsContact NH2-O 3.08Å; R133-M235 PolarHBondContact NE-O 2.99Å; R133-M235 VanDerWaalsContact NE-O 3.16Å; R133-S238 PolarHBondContact NH1-OG 3.39Å; R133-L241 HydrophobicContact CB-CD1 4.23Å; R133-L241 HydrophobicContact CG-CD1 4.15Å |
| 134 | T | 86.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -33.9 | 175.3 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | A69 V130 K131 S147 T153 | A69-T134 HydrophobicContact CB-CG2 3.79Å; V130-T134 WeakPolarHBondContact O-CB 3.17Å; V130-T134 PolarHBondContact O-N 2.88Å; V130-T134 PolarHBondContact O-OG1 3.16Å; K131-T134 PolarHBondContact O-N 3.46Å; T134-S147 WeakPolarHBondContact CG2-O 3.45Å; T134-T153 PolarHBondContact OG1-OG1 3.33Å |
| 135 | I | 87.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.4 | -38.3 | 178.3 | -74.1 | 167.9 | 0 | 0 | 0 | 112.6 | V34 I37 Q38 K68 A69 K131 T132 R133 C137 | V34-I135 HydrophobicContact CG1-CG2 3.93Å; V34-I135 HydrophobicContact CG2-CD1 4.09Å; V34-I135 HydrophobicContact CG2-CG1 4.29Å; I37-I135 HydrophobicContact CB-CD1 4.42Å; I37-I135 HydrophobicContact CB-CG2 4.06Å; I37-I135 HydrophobicContact CD1-CD1 3.53Å; I37-I135 HydrophobicContact CG2-CB 4.16Å; I37-I135 HydrophobicContact CG2-CD1 4.45Å; I37-I135 HydrophobicContact CG2-CG2 3.73Å; Q38-I135 HydrophobicContact CG-CG2 3.74Å; Q38-I135 PolarHBondContact NE2-O 3.32Å; K68-I135 HydrophobicContact CB-CG1 4.41Å; A69-I135 HydrophobicContact CB-CG1 4.35Å; K131-I135 HydrophobicContact CD-CD1 4.45Å; K131-I135 HydrophobicContact CG-CD1 3.82Å; K131-I135 WeakPolarHBondContact O-CG1 3.29Å; K131-I135 PolarHBondContact O-N 3.48Å; K131-I135 VanDerWaalsContact O-N 3.09Å; T132-I135 PolarHBondContact O-N 2.93Å; R133-I135 VanDerWaalsContact C-N 3.25Å; R133-I135 PolarHBondContact O-N 2.9Å; I135-C137 VanDerWaalsContact C-N 3.32Å |
| 136 | V | 83.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -79.9 | -14.3 | -179.4 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | S41 M43 T132 R133 P138 A236 L241 | S41-V136 WeakPolarHBondContact OG-CG1 3.16Å; M43-V136 WeakPolarHBondContact CE-O 3.43Å; M43-V136 HydrophobicContact CG-CB 4.48Å; M43-V136 HydrophobicContact CG-CG1 4.41Å; M43-V136 HydrophobicContact SD-CB 3.92Å; M43-V136 HydrophobicContact SD-CG1 3.98Å; T132-V136 WeakPolarHBondContact O-CG2 3.46Å; T132-V136 PolarHBondContact O-N 3.14Å; R133-V136 WeakPolarHBondContact O-CG2 3.49Å; R133-V136 PolarHBondContact O-N 3.4Å; V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.37Å; V136-A236 HydrophobicContact CG1-CB 3.95Å; V136-A236 HydrophobicContact CG2-CB 4.09Å; V136-L241 HydrophobicContact CG2-CD1 4.21Å |
| 137 | C | 77.2 | Confident | 69.1 | Low | 13 Ų | 13 | 36.1 Ų | 36.1 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -78.3 | 114.2 | 172.6 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | K68 R133 I135 S147 L241 | K68-C137 PolarHBondContact NZ-O 2.82Å; R133-C137 PolarHBondContact O-N 3.42Å; R133-C137 VanDerWaalsContact O-N 3.12Å; R133-C137 PolarHBondContact O-SG 3.32Å; I135-C137 VanDerWaalsContact C-N 3.32Å; C137-S147 VanDerWaalsContact CB-OG 3.23Å; C137-S147 WeakPolarHBondContact CB-OG 3.23Å; C137-L241 WeakPolarHBondContact SG-CD2 3.28Å |
| 138 | P | 65.6 | Low | 67.4 | Low | 14 Ų | 14 | 39.1 Ų | 39.1 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | trans | -66.1 | 151.9 | 169.4 | 28.2 | -31.8 | 0 | 0 | 0 | 110.3 | V136 C140 Y246 | V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-C140 VanDerWaalsContact C-N 3.25Å; P138-C140 PolarHBondContact O-N 3.3Å; P138-Y246 HydrophobicContact CG-CD2 4.09Å; P138-Y246 HydrophobicContact CG-CE1 4.28Å; P138-Y246 HydrophobicContact CG-CE2 3.46Å; P138-Y246 VanDerWaalsContact CG-CE2 3.46Å | ||
| 139 | A | 59.2 | Low | 66.4 | Low | 23 Ų | 23 | 43.1 Ų | 43.1 | 19% | 0.19 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -76.7 | -11.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D61 G144 | D61-A139 WeakPolarHBondContact OD1-CB 3.29Å; D61-A139 PolarHBondContact OD1-N 3.4Å; A139-G144 WeakPolarHBondContact O-CA 3.36Å |
| 140 | C | 43.2 | Very low | 65.9 | Low | 76 Ų | 76 | 45.9 Ų | 45.9 | 51% | 0.514 | 26% | 0.261 | S | S | . | . | trans | -71.8 | 127.7 | 178.9 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | P138 | P138-C140 VanDerWaalsContact C-N 3.25Å; P138-C140 PolarHBondContact O-N 3.3Å | ||
| 141 | G | 45.6 | Very low | 65.4 | Low | 60 Ų | 60 | 51.7 Ų | 51.7 | 62% | 0.619 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 109.3 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L143 G144 | G141-L143 PolarHBondContact O-N 2.89Å; G141-G144 PolarHBondContact O-N 3.47Å |
| 142 | D | 42.7 | Very low | 65 | Low | 178 Ų | 178 | 52.5 Ų | 52.5 | 95% | 0.952 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -16.1 | 178.3 | -85.8 | -25.8 | 0 | 0 | 0 | 114.1 | G144 | D142-G144 VanDerWaalsContact C-N 3.32Š|
| 143 | L | 44.4 | Very low | 64.5 | Low | 67 Ų | 67 | 53 Ų | 53 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.5 | 173.9 | -65.6 | 166.2 | 0 | 0 | 0 | 113.5 | G141 K145 S146 S147 P242 | G141-L143 PolarHBondContact O-N 2.89Å; L143-K145 VanDerWaalsContact C-N 3.28Å; L143-K145 PolarHBondContact O-N 2.82Å; L143-S146 PolarHBondContact O-N 3.36Å; L143-S146 VanDerWaalsContact O-N 3.12Å; L143-S147 WeakPolarHBondContact O-CB 3.47Å; L143-S147 PolarHBondContact O-N 2.91Å; L143-P242 HydrophobicContact CD1-CG 3.61Å |
| 144 | G | 46.5 | Very low | 64.4 | Low | 13 Ų | 13 | 55.2 Ų | 55.2 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.8 | -34.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A139 G141 D142 | A139-G144 WeakPolarHBondContact O-CA 3.36Å; G141-G144 PolarHBondContact O-N 3.47Å; D142-G144 VanDerWaalsContact C-N 3.32Å |
| 145 | K | 45 | Very low | 64.3 | Low | 187 Ų | 187 | 58.9 Ų | 58.9 | 81% | 0.813 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -76.1 | -37.8 | 176.8 | -69.1 | -177.4 | -179.2 | 176.3 | 0 | 112.6 | L143 | L143-K145 VanDerWaalsContact C-N 3.28Å; L143-K145 PolarHBondContact O-N 2.82Å |
| 146 | S | 42.9 | Very low | 64 | Low | 57 Ų | 57 | 61.8 Ų | 61.8 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -82.7 | -32.9 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | L143 Q148 N149 | L143-S146 PolarHBondContact O-N 3.36Å; L143-S146 VanDerWaalsContact O-N 3.12Å; S146-Q148 VanDerWaalsContact C-N 3.27Å; S146-Q148 PolarHBondContact O-N 3.47Å; S146-N149 CarbonylContact O-C 3.52Å; S146-N149 PolarHBondContact O-N 3.16Å |
| 147 | S | 49.2 | Very low | 64 | Low | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.049 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.8 | -25 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 113 | T134 C137 L143 N149 | T134-S147 WeakPolarHBondContact CG2-O 3.45Å; C137-S147 VanDerWaalsContact CB-OG 3.23Å; C137-S147 WeakPolarHBondContact CB-OG 3.23Å; L143-S147 WeakPolarHBondContact O-CB 3.47Å; L143-S147 PolarHBondContact O-N 2.91Å; S147-N149 VanDerWaalsContact C-N 3.27Å |
| 148 | Q | 56.5 | Low | 64.4 | Low | 98 Ų | 98 | 65.3 Ų | 65.3 | 46% | 0.458 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -27.8 | 172.2 | -76.6 | -175.5 | -10.5 | 0 | 0 | 111.7 | S146 W150 | S146-Q148 VanDerWaalsContact C-N 3.27Å; S146-Q148 PolarHBondContact O-N 3.47Å; Q148-W150 PolarHBondContact O-N 2.72Å |
| 149 | N | 71.1 | Confident | 65.3 | Low | 101 Ų | 101 | 69 Ų | 69 | 54% | 0.54 | 40% | 0.395 | S | S | . | . | trans | -92.9 | 104.2 | -179.8 | -71.3 | -12.6 | 0 | 0 | 0 | 110.2 | S146 S147 M151 G152 T153 | S146-N149 CarbonylContact O-C 3.52Å; S146-N149 PolarHBondContact O-N 3.16Å; S147-N149 VanDerWaalsContact C-N 3.27Å; N149-M151 PolarHBondContact O-N 3.02Å; N149-M151 VanDerWaalsContact O-N 3.11Å; N149-G152 WeakPolarHBondContact O-CA 3.42Å; N149-G152 PolarHBondContact O-N 2.95Å; N149-T153 PolarHBondContact O-N 2.79Å; N149-T153 VanDerWaalsContact O-N 3.08Å; N149-T153 PolarHBondContact O-OG1 3.35Å | ||
| 150 | W | 79.2 | Confident | 66.5 | Low | 60 Ų | 60 | 73.2 Ų | 73.2 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -55.5 | -28.6 | 174.4 | 63.6 | -89 | 0 | 0 | 0 | 113.3 | V72 V130 Q148 T153 L154 | V72-W150 HydrophobicContact CG2-CB 3.15Å; V72-W150 HydrophobicContact CG2-CD2 3.6Å; V72-W150 HydrophobicContact CG2-CE3 3.97Å; V72-W150 HydrophobicContact CG2-CG 3.25Å; V130-W150 HydrophobicContact CG1-CB 4.04Å; Q148-W150 PolarHBondContact O-N 2.72Å; W150-T153 WeakPolarHBondContact O-CB 3.28Å; W150-T153 PolarHBondContact O-N 3.36Å; W150-L154 HydrophobicContact CZ3-CD2 4.46Å; W150-L154 WeakPolarHBondContact O-CB 3.43Å; W150-L154 PolarHBondContact O-N 2.95Å |
| 151 | M | 81 | Confident | 68.3 | Low | 124 Ų | 124 | 70.8 Ų | 70.8 | 61% | 0.611 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 173 | -67.5 | 178.8 | 171 | 0 | 0 | 112.1 | N149 T153 L154 S155 | N149-M151 PolarHBondContact O-N 3.02Å; N149-M151 VanDerWaalsContact O-N 3.11Å; M151-T153 VanDerWaalsContact C-N 3.33Å; M151-L154 PolarHBondContact O-N 2.71Å; M151-S155 WeakPolarHBondContact O-CB 3.45Å; M151-S155 PolarHBondContact O-N 3.29Å |
| 152 | G | 80.3 | Confident | 70.2 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 22% | 0.216 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N149 S155 K156 | N149-G152 WeakPolarHBondContact O-CA 3.42Å; N149-G152 PolarHBondContact O-N 2.95Å; G152-S155 PolarHBondContact O-N 2.96Å; G152-K156 WeakPolarHBondContact O-CB 3.3Å; G152-K156 PolarHBondContact O-N 3.37Å |
| 153 | T | 80.9 | Confident | 72.3 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 172 | -52 | 0 | 0 | 0 | 0 | 110.7 | R133 T134 N149 W150 M151 K156 I157 | R133-T153 HydrophobicContact CB-CG2 3.99Å; T134-T153 PolarHBondContact OG1-OG1 3.33Å; N149-T153 PolarHBondContact O-N 2.79Å; N149-T153 VanDerWaalsContact O-N 3.08Å; N149-T153 PolarHBondContact O-OG1 3.35Å; W150-T153 WeakPolarHBondContact O-CB 3.28Å; W150-T153 PolarHBondContact O-N 3.36Å; M151-T153 VanDerWaalsContact C-N 3.33Å; T153-K156 PolarHBondContact O-N 3.29Å; T153-I157 HydrophobicContact CG2-CD1 3.99Å; T153-I157 WeakPolarHBondContact O-CD1 3.46Å; T153-I157 WeakPolarHBondContact O-CG1 3.42Å; T153-I157 PolarHBondContact O-N 3.17Å |
| 154 | L | 84.5 | Confident | 74.2 | Confident | 48 Ų | 48 | 73.8 Ų | 73.8 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 178.1 | 175.8 | 60 | 0 | 0 | 0 | 112.5 | V130 W150 M151 K156 I157 L158 I166 | V130-L154 HydrophobicContact CG2-CB 3.97Å; V130-L154 HydrophobicContact CG2-CD1 3.72Å; V130-L154 HydrophobicContact CG2-CG 4.35Å; W150-L154 HydrophobicContact CZ3-CD2 4.46Å; W150-L154 WeakPolarHBondContact O-CB 3.43Å; W150-L154 PolarHBondContact O-N 2.95Å; M151-L154 PolarHBondContact O-N 2.71Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.39Å; L154-I157 PolarHBondContact O-N 2.86Å; L154-L158 HydrophobicContact CD1-CD1 4.18Å; L154-L158 HydrophobicContact CD1-CG 4.32Å; L154-L158 HydrophobicContact CG-CD1 4.25Å; L154-L158 PolarHBondContact O-N 3.45Å; L154-I166 HydrophobicContact CD1-CD1 3.86Å |
| 155 | S | 84.6 | Confident | 76 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 177.5 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | M151 G152 I157 L158 S159 | M151-S155 WeakPolarHBondContact O-CB 3.45Å; M151-S155 PolarHBondContact O-N 3.29Å; G152-S155 PolarHBondContact O-N 2.96Å; S155-I157 PolarHBondContact O-N 2.73Å; S155-L158 PolarHBondContact O-N 3.05Å; S155-S159 WeakPolarHBondContact O-CB 3.36Å; S155-S159 PolarHBondContact O-N 2.92Å; S155-S159 PolarHBondContact O-OG 3.28Å; S155-S159 VanDerWaalsContact O-OG 3.13Å |
| 156 | K | 81.3 | Confident | 78.1 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 177.2 | -165.6 | 176.7 | -171.1 | -171.7 | 0 | 112.9 | G152 T153 L154 S159 Q160 A240 | G152-K156 WeakPolarHBondContact O-CB 3.3Å; G152-K156 PolarHBondContact O-N 3.37Å; T153-K156 PolarHBondContact O-N 3.29Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.39Å; K156-S159 PolarHBondContact O-OG 2.79Å; K156-Q160 HydrophobicContact CG-CG 4.38Å; K156-Q160 WeakPolarHBondContact O-CB 3.31Å; K156-Q160 WeakPolarHBondContact O-CG 3.39Å; K156-Q160 PolarHBondContact O-N 3.2Å; K156-Q160 VanDerWaalsContact O-N 3.09Å; K156-A240 WeakPolarHBondContact CE-O 3.46Å; K156-A240 PolarHBondContact NZ-O 2.86Å |
| 157 | I | 83.3 | Confident | 80.3 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 175.6 | -62.3 | 162.5 | 0 | 0 | 0 | 110 | V130 T153 L154 S155 E161 G162 I166 | V130-I157 HydrophobicContact CG2-CD1 4.03Å; T153-I157 HydrophobicContact CG2-CD1 3.99Å; T153-I157 WeakPolarHBondContact O-CD1 3.46Å; T153-I157 WeakPolarHBondContact O-CG1 3.42Å; T153-I157 PolarHBondContact O-N 3.17Å; L154-I157 PolarHBondContact O-N 2.86Å; S155-I157 PolarHBondContact O-N 2.73Å; I157-E161 WeakPolarHBondContact O-CA 3.45Å; I157-E161 WeakPolarHBondContact O-CB 3.27Å; I157-E161 PolarHBondContact O-N 3Å; I157-G162 PolarHBondContact O-N 3.39Å; I157-I166 HydrophobicContact CG2-CD1 4.43Å; I157-I166 HydrophobicContact CG2-CG1 3.54Å |
| 158 | L | 85.3 | Confident | 82.1 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 44% | 0.44 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 179.8 | -76.4 | 171.6 | 0 | 0 | 0 | 112.2 | L154 S155 G162 I166 | L154-L158 HydrophobicContact CD1-CD1 4.18Å; L154-L158 HydrophobicContact CD1-CG 4.32Å; L154-L158 HydrophobicContact CG-CD1 4.25Å; L154-L158 PolarHBondContact O-N 3.45Å; S155-L158 PolarHBondContact O-N 3.05Å; L158-G162 VanDerWaalsContact O-CA 3.23Å; L158-G162 WeakPolarHBondContact O-CA 3.43Å; L158-G162 PolarHBondContact O-N 3.15Å; L158-G162 VanDerWaalsContact O-N 3.12Å; L158-I166 HydrophobicContact CD2-CD1 3.23Å; L158-I166 HydrophobicContact CD2-CG1 4.32Å; L158-I166 HydrophobicContact CG-CD1 3.7Å |
| 159 | S | 85.2 | Confident | 83.6 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.7 | -34 | -177.4 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | S155 K156 | S155-S159 WeakPolarHBondContact O-CB 3.36Å; S155-S159 PolarHBondContact O-N 2.92Å; S155-S159 PolarHBondContact O-OG 3.28Å; S155-S159 VanDerWaalsContact O-OG 3.13Å; K156-S159 PolarHBondContact O-OG 2.79Å |
| 160 | Q | 83.6 | Confident | 84.6 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -99.6 | -28.6 | -173.8 | -61.9 | -170.7 | -21.2 | 0 | 0 | 114.3 | K156 A240 | K156-Q160 HydrophobicContact CG-CG 4.38Å; K156-Q160 WeakPolarHBondContact O-CB 3.31Å; K156-Q160 WeakPolarHBondContact O-CG 3.39Å; K156-Q160 PolarHBondContact O-N 3.2Å; K156-Q160 VanDerWaalsContact O-N 3.09Å; Q160-A240 HydrophobicContact CB-CB 4.05Å |
| 161 | E | 80.8 | Confident | 85.2 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -120.6 | -10.6 | -178.1 | -58.2 | -171.3 | 165.9 | 0 | 0 | 114 | R133 I157 G165 R168 S238 P239 | R133-E161 IonicContact CZ-OE1 4Å; R133-E161 IonicContact CZ-OE2 2.86Å; R133-E161 IonicContact NH1-OE1 2.63Å; R133-E161 PolarHBondContact NH1-OE1 3.34Å; R133-E161 IonicContact NH1-OE2 3.1Å; R133-E161 PolarHBondContact NH1-OE2 3.42Å; R133-E161 IonicContact NH2-OE1 3.14Å; R133-E161 IonicContact NH2-OE2 3.25Å; R133-E161 PolarHBondContact NH2-OE2 2.9Å; I157-E161 WeakPolarHBondContact O-CA 3.45Å; I157-E161 WeakPolarHBondContact O-CB 3.27Å; I157-E161 PolarHBondContact O-N 3Å; E161-G165 PolarHBondContact O-N 3.37Å; E161-G165 WeakPolarHBondContact OE2-CA 3.46Å; E161-R168 VanDerWaalsContact CD-NH2 3.33Å; E161-R168 IonicContact OE1-CZ 2.67Å; E161-R168 IonicContact OE1-NH1 2.73Å; E161-R168 PolarHBondContact OE1-NH1 2.88Å; E161-R168 IonicContact OE1-NH2 3.19Å; E161-R168 PolarHBondContact OE1-NH2 3.36Å; E161-R168 IonicContact OE2-CZ 3.01Å; E161-R168 VanDerWaalsContact OE2-CZ 3.22Å; E161-R168 IonicContact OE2-NE 3.8Å; E161-R168 IonicContact OE2-NH1 3.94Å; E161-R168 PolarHBondContact OE2-NH1 3.08Å; E161-R168 IonicContact OE2-NH2 2.71Å; E161-R168 PolarHBondContact OE2-NH2 3.2Å; E161-S238 VanDerWaalsContact OE1-CA 3.27Å; E161-S238 WeakPolarHBondContact OE1-CA 3.44Å; E161-S238 VanDerWaalsContact OE1-CB 3.24Å; E161-S238 WeakPolarHBondContact OE1-CB 3.44Å; E161-S238 PolarHBondContact OE1-OG 3.3Å; E161-P239 WeakPolarHBondContact OE1-CD 3.32Å |
| 162 | G | 85.7 | Confident | 85.8 | Confident | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | 61.3 | -161.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | I157 L158 R164 G165 | I157-G162 PolarHBondContact O-N 3.39Å; L158-G162 VanDerWaalsContact O-CA 3.23Å; L158-G162 WeakPolarHBondContact O-CA 3.43Å; L158-G162 PolarHBondContact O-N 3.15Å; L158-G162 VanDerWaalsContact O-N 3.12Å; G162-R164 PolarHBondContact O-N 2.84Å; G162-G165 PolarHBondContact O-N 2.92Å; G162-G165 VanDerWaalsContact O-N 3.15Å |
| 163 | I | 87 | Confident | 86.3 | Confident | 125 Ų | 125 | 55 Ų | 55 | 64% | 0.641 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.1 | -34.2 | -177.9 | -62.4 | 165.6 | 0 | 0 | 0 | 111.3 | G165 I166 Y167 | I163-G165 PolarHBondContact O-N 2.95Å; I163-I166 PolarHBondContact O-N 2.94Å; I163-I166 VanDerWaalsContact O-N 3.15Å; I163-Y167 HydrophobicContact CG2-CD2 3.92Å; I163-Y167 HydrophobicContact CG2-CE2 3.99Å; I163-Y167 PolarHBondContact O-N 3.41Å |
| 164 | R | 85.4 | Confident | 86.9 | Confident | 215 Ų | 215 | 56.9 Ų | 56.9 | 81% | 0.811 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.8 | -32.2 | 178.8 | -168.7 | 175.7 | -180 | 179.9 | 1.3 | 112.2 | G162 R168 | G162-R164 PolarHBondContact O-N 2.84Å; R164-R168 WeakPolarHBondContact O-CG 3.15Å |
| 165 | G | 83.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R133 E161 G162 I163 R168 | R133-G165 PolarHBondContact NH2-O 3.47Å; R133-G165 VanDerWaalsContact NH2-O 3.08Å; E161-G165 PolarHBondContact O-N 3.37Å; E161-G165 WeakPolarHBondContact OE2-CA 3.46Å; G162-G165 PolarHBondContact O-N 2.92Å; G162-G165 VanDerWaalsContact O-N 3.15Å; I163-G165 PolarHBondContact O-N 2.95Å; G165-R168 WeakPolarHBondContact O-CB 3.09Å; G165-R168 WeakPolarHBondContact O-CG 3.41Å; G165-R168 PolarHBondContact O-N 3.44Å |
| 166 | I | 88.5 | Confident | 87.5 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.2 | -29.6 | -177.6 | -64.9 | -172.7 | 0 | 0 | 0 | 112.4 | H125 P126 V129 L154 I157 L158 I163 | H125-I166 PolarHBondContact CD2-O 3.47Å; P126-I166 HydrophobicContact CB-CG2 3.27Å; P126-I166 HydrophobicContact CG-CG2 3.55Å; V129-I166 WeakPolarHBondContact CG2-O 3.39Å; L154-I166 HydrophobicContact CD1-CD1 3.86Å; I157-I166 HydrophobicContact CG2-CD1 4.43Å; I157-I166 HydrophobicContact CG2-CG1 3.54Å; L158-I166 HydrophobicContact CD2-CD1 3.23Å; L158-I166 HydrophobicContact CD2-CG1 4.32Å; L158-I166 HydrophobicContact CG-CD1 3.7Å; I163-I166 PolarHBondContact O-N 2.94Å; I163-I166 VanDerWaalsContact O-N 3.15Å |
| 167 | Y | 90.1 | Very high | 87.8 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 11.5 | 176.8 | -73.5 | -82.7 | 0 | 0 | 0 | 114 | L122 P126 I163 G169 L170 | L122-Y167 HydrophobicContact CD1-CD1 4.48Å; L122-Y167 HydrophobicContact CD1-CE1 4.12Å; P126-Y167 HydrophobicContact CG-CE1 4.44Å; I163-Y167 HydrophobicContact CG2-CD2 3.92Å; I163-Y167 HydrophobicContact CG2-CE2 3.99Å; I163-Y167 PolarHBondContact O-N 3.41Å; Y167-G169 PolarHBondContact O-N 2.95Å; Y167-L170 HydrophobicContact CD1-CD2 4.23Å; Y167-L170 VanDerWaalsContact O-CB 3.32Å; Y167-L170 WeakPolarHBondContact O-CB 3.08Å; Y167-L170 PolarHBondContact O-N 3.25Å |
| 168 | R | 86.2 | Confident | 87.9 | Confident | 36 Ų | 36 | 57 Ų | 57 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 137.2 | 176.5 | -73.1 | -171.7 | -175.3 | 161 | 9.3 | 111.4 | H125 E161 R164 G165 L170 M235 S237 V252 | H125-R168 PolarHBondContact NE2-O 3.34Å; E161-R168 VanDerWaalsContact CD-NH2 3.33Å; E161-R168 IonicContact OE1-CZ 2.67Å; E161-R168 IonicContact OE1-NH1 2.73Å; E161-R168 PolarHBondContact OE1-NH1 2.88Å; E161-R168 IonicContact OE1-NH2 3.19Å; E161-R168 PolarHBondContact OE1-NH2 3.36Å; E161-R168 IonicContact OE2-CZ 3.01Å; E161-R168 VanDerWaalsContact OE2-CZ 3.22Å; E161-R168 IonicContact OE2-NE 3.8Å; E161-R168 IonicContact OE2-NH1 3.94Å; E161-R168 PolarHBondContact OE2-NH1 3.08Å; E161-R168 IonicContact OE2-NH2 2.71Å; E161-R168 PolarHBondContact OE2-NH2 3.2Å; R164-R168 WeakPolarHBondContact O-CG 3.15Å; G165-R168 WeakPolarHBondContact O-CB 3.09Å; G165-R168 WeakPolarHBondContact O-CG 3.41Å; G165-R168 PolarHBondContact O-N 3.44Å; R168-L170 VanDerWaalsContact C-N 3.28Å; R168-L170 PolarHBondContact O-N 2.95Å; R168-M235 WeakPolarHBondContact O-CG 3.21Å; R168-S237 PolarHBondContact NH1-O 2.94Å; R168-S237 VanDerWaalsContact NH1-O 3.08Å; R168-V252 HydrophobicContact CG-CG1 4.26Å |
| 169 | G | 88 | Confident | 88.2 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 11.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y167 V171 P172 S173 | Y167-G169 PolarHBondContact O-N 2.95Å; G169-V171 PolarHBondContact O-N 3.15Å; G169-P172 VanDerWaalsContact O-CD 3.25Å; G169-P172 WeakPolarHBondContact O-CD 3.37Å; G169-P172 VanDerWaalsContact O-CG 3.26Å; G169-P172 WeakPolarHBondContact O-CG 3.41Å; G169-S173 WeakPolarHBondContact O-CB 3.31Å; G169-S173 PolarHBondContact O-N 2.94Å; G169-S173 VanDerWaalsContact O-N 3.15Å; G169-S173 PolarHBondContact O-OG 3.27Å |
| 170 | L | 91.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 176.5 | 179.2 | 66.1 | 0 | 0 | 0 | 111.9 | L122 H125 Y167 R168 S173 L174 | L122-L170 HydrophobicContact CD1-CD1 3.9Å; L122-L170 HydrophobicContact CD1-CD2 3.58Å; L122-L170 HydrophobicContact CD1-CG 4.38Å; H125-L170 HydrophobicContact CB-CD1 4.21Å; Y167-L170 HydrophobicContact CD1-CD2 4.23Å; Y167-L170 VanDerWaalsContact O-CB 3.32Å; Y167-L170 WeakPolarHBondContact O-CB 3.08Å; Y167-L170 PolarHBondContact O-N 3.25Å; R168-L170 VanDerWaalsContact C-N 3.28Å; R168-L170 PolarHBondContact O-N 2.95Å; L170-S173 WeakPolarHBondContact O-CA 3.22Å; L170-S173 WeakPolarHBondContact O-CB 3.5Å; L170-S173 PolarHBondContact O-N 3.43Å; L170-L174 HydrophobicContact CD1-CD1 4.34Å; L170-L174 HydrophobicContact CD1-CD2 4.19Å; L170-L174 HydrophobicContact CD1-CG 4.13Å; L170-L174 HydrophobicContact CG-CD1 4.05Å; L170-L174 HydrophobicContact CG-CG 4.25Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.28Å |
| 171 | V | 92.7 | Very high | 88.4 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -54 | -55 | -179.7 | 176.7 | 0 | 0 | 0 | 0 | 112.9 | G169 S173 L174 I175 | G169-V171 PolarHBondContact O-N 3.15Å; V171-S173 PolarHBondContact O-N 3.19Å; V171-L174 PolarHBondContact O-N 2.79Å; V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.32Å; V171-I175 PolarHBondContact O-N 3.25Å; V171-I175 VanDerWaalsContact O-N 3.08Å |
| 172 | P | 92.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -23.7 | 176.3 | 25 | -33.6 | 0 | 0 | 0 | 112.7 | G169 G176 V227 R231 V254 | G169-P172 VanDerWaalsContact O-CD 3.25Å; G169-P172 WeakPolarHBondContact O-CD 3.37Å; G169-P172 VanDerWaalsContact O-CG 3.26Å; G169-P172 WeakPolarHBondContact O-CG 3.41Å; P172-G176 PolarHBondContact O-N 2.89Å; P172-V227 HydrophobicContact CB-CG1 4.14Å; P172-V227 WeakPolarHBondContact O-CG1 3.37Å; P172-R231 HydrophobicContact CB-CB 4.05Å; P172-R231 HydrophobicContact CB-CG 4.47Å; P172-R231 HydrophobicContact CG-CB 4.2Å; P172-R231 HydrophobicContact CG-CG 4.34Å; P172-V254 HydrophobicContact CG-CG2 4.24Å |
| 173 | S | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 173.3 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | H125 G169 L170 V171 S177 R231 | H125-S173 PolarHBondContact CE1-OG 2.93Å; H125-S173 PolarHBondContact ND1-OG 3.12Å; G169-S173 WeakPolarHBondContact O-CB 3.31Å; G169-S173 PolarHBondContact O-N 2.94Å; G169-S173 VanDerWaalsContact O-N 3.15Å; G169-S173 PolarHBondContact O-OG 3.27Å; L170-S173 WeakPolarHBondContact O-CA 3.22Å; L170-S173 WeakPolarHBondContact O-CB 3.5Å; L170-S173 PolarHBondContact O-N 3.43Å; V171-S173 PolarHBondContact O-N 3.19Å; S173-S177 WeakPolarHBondContact O-CB 3.38Å; S173-S177 PolarHBondContact O-N 2.89Å; S173-S177 PolarHBondContact O-OG 3.11Å; S173-R231 WeakPolarHBondContact OG-CD 3.42Å; S173-R231 WeakPolarHBondContact OG-CG 3.35Å; S173-R231 PolarHBondContact OG-NE 3.42Å; S173-R231 PolarHBondContact OG-NH2 3.48Å |
| 174 | L | 92.5 | Very high | 88.6 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.4 | -46.9 | 179 | -60.8 | 174.3 | 0 | 0 | 0 | 110.6 | N118 L170 V171 G176 S177 F178 | N118-L174 HydrophobicContact CB-CD2 3.95Å; N118-L174 WeakPolarHBondContact OD1-CA 3.25Å; N118-L174 WeakPolarHBondContact OD1-CB 3.46Å; N118-L174 WeakPolarHBondContact OD1-CD2 3.44Å; N118-L174 PolarHBondContact OD1-O 3Å; L170-L174 HydrophobicContact CD1-CD1 4.34Å; L170-L174 HydrophobicContact CD1-CD2 4.19Å; L170-L174 HydrophobicContact CD1-CG 4.13Å; L170-L174 HydrophobicContact CG-CD1 4.05Å; L170-L174 HydrophobicContact CG-CG 4.25Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.28Å; V171-L174 PolarHBondContact O-N 2.79Å; L174-G176 PolarHBondContact O-N 2.83Å; L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 3.45Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 3.28Å; L174-F178 VanDerWaalsContact O-N 3.17Å |
| 175 | I | 92.9 | Very high | 88.5 | Confident | 84 Ų | 84 | 39 Ų | 39 | 43% | 0.431 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60 | -46.6 | 176.3 | -63.3 | 169.2 | 0 | 0 | 0 | 110.7 | V171 S177 F178 I179 V227 | V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.32Å; V171-I175 PolarHBondContact O-N 3.25Å; V171-I175 VanDerWaalsContact O-N 3.08Å; I175-S177 VanDerWaalsContact C-N 3.27Å; I175-S177 PolarHBondContact O-N 2.9Å; I175-F178 PolarHBondContact O-N 3.42Å; I175-I179 HydrophobicContact CG2-CD1 3.87Å; I175-I179 WeakPolarHBondContact O-CG1 3.5Å; I175-I179 PolarHBondContact O-N 2.97Å; I175-V227 HydrophobicContact CB-CG1 4.38Å; I175-V227 HydrophobicContact CG2-CG1 4.27Å; I175-V227 HydrophobicContact CG2-CG2 4.46Å |
| 176 | G | 90.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -36.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P172 L174 I179 F180 | P172-G176 PolarHBondContact O-N 2.89Å; L174-G176 PolarHBondContact O-N 2.83Å; G176-I179 PolarHBondContact O-N 2.89Å; G176-F180 VanDerWaalsContact O-CB 3.29Å; G176-F180 WeakPolarHBondContact O-CB 3.44Å; G176-F180 PolarHBondContact O-N 3.21Å |
| 177 | S | 86.1 | Confident | 88.3 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | S173 L174 I175 S181 | S173-S177 WeakPolarHBondContact O-CB 3.38Å; S173-S177 PolarHBondContact O-N 2.89Å; S173-S177 PolarHBondContact O-OG 3.11Å; L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 3.45Å; I175-S177 VanDerWaalsContact C-N 3.27Å; I175-S177 PolarHBondContact O-N 2.9Å; S177-S181 VanDerWaalsContact O-CB 3.29Å; S177-S181 WeakPolarHBondContact O-CB 3.45Å; S177-S181 PolarHBondContact O-N 3.18Å |
| 178 | F | 86.8 | Confident | 87.8 | Confident | 97 Ų | 97 | 43.9 Ų | 43.9 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -45.9 | 175.7 | -82.9 | -71.3 | 0 | 0 | 0 | 112.6 | N118 L174 I175 F180 S181 G182 | N118-F178 WeakPolarHBondContact ND2-CE2 3.28Å; N118-F178 VanDerWaalsContact ND2-CZ 3.29Å; N118-F178 WeakPolarHBondContact ND2-CZ 2.87Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 3.28Å; L174-F178 VanDerWaalsContact O-N 3.17Å; I175-F178 PolarHBondContact O-N 3.42Å; F178-F180 VanDerWaalsContact C-N 3.34Å; F178-F180 PolarHBondContact O-N 3.17Å; F178-S181 PolarHBondContact O-N 2.96Å; F178-G182 PolarHBondContact O-N 3.36Å |
| 179 | I | 91.2 | Very high | 87.6 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 179.1 | -65.6 | 168.1 | 0 | 0 | 0 | 110.4 | I175 G176 G182 T183 V223 V227 | I175-I179 HydrophobicContact CG2-CD1 3.87Å; I175-I179 WeakPolarHBondContact O-CG1 3.5Å; I175-I179 PolarHBondContact O-N 2.97Å; G176-I179 PolarHBondContact O-N 2.89Å; I179-G182 PolarHBondContact O-N 2.91Å; I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.1Å; I179-T183 PolarHBondContact O-OG1 3.47Å; I179-V223 HydrophobicContact CG2-CG1 3.84Å; I179-V227 HydrophobicContact CD1-CB 4.45Å; I179-V227 HydrophobicContact CD1-CG2 3.61Å |
| 180 | F | 88.2 | Confident | 87.3 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 177.6 | -176.4 | -93.8 | 0 | 0 | 0 | 111.4 | G176 F178 G182 T183 M184 A220 | G176-F180 VanDerWaalsContact O-CB 3.29Å; G176-F180 WeakPolarHBondContact O-CB 3.44Å; G176-F180 PolarHBondContact O-N 3.21Å; F178-F180 VanDerWaalsContact C-N 3.34Å; F178-F180 PolarHBondContact O-N 3.17Å; F180-G182 PolarHBondContact O-N 3Å; F180-T183 PolarHBondContact O-N 3.45Å; F180-M184 HydrophobicContact CD1-CG 4.14Å; F180-M184 HydrophobicContact CE1-CG 3.71Å; F180-M184 HydrophobicContact CE2-CG 4.37Å; F180-M184 HydrophobicContact CZ-CG 3.84Å; F180-M184 HydrophobicContact CZ-SD 4.15Å; F180-M184 WeakPolarHBondContact O-CB 3.34Å; F180-M184 VanDerWaalsContact O-CG 3.3Å; F180-M184 WeakPolarHBondContact O-CG 3.42Å; F180-M184 PolarHBondContact O-N 3.32Å; F180-A220 HydrophobicContact CD2-CB 3.91Å; F180-A220 HydrophobicContact CE2-CB 3.79Å; F180-A220 HydrophobicContact CZ-CB 4.48Å |
| 181 | S | 83.7 | Confident | 86.4 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 178.2 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | S177 F178 M184 F185 | S177-S181 VanDerWaalsContact O-CB 3.29Å; S177-S181 WeakPolarHBondContact O-CB 3.45Å; S177-S181 PolarHBondContact O-N 3.18Å; F178-S181 PolarHBondContact O-N 2.96Å; S181-M184 PolarHBondContact O-N 3.04Å; S181-F185 WeakPolarHBondContact O-CB 3.38Å; S181-F185 PolarHBondContact O-N 2.99Å |
| 182 | G | 86.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F178 I179 F180 M184 F185 T186 | F178-G182 PolarHBondContact O-N 3.36Å; I179-G182 PolarHBondContact O-N 2.91Å; F180-G182 PolarHBondContact O-N 3Å; G182-M184 PolarHBondContact O-N 2.72Å; G182-F185 PolarHBondContact O-N 3.46Å; G182-T186 WeakPolarHBondContact O-CG2 3.25Å; G182-T186 PolarHBondContact O-N 2.92Å; G182-T186 PolarHBondContact O-OG1 2.91Å |
| 183 | T | 87 | Confident | 84.8 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.4 | -36.6 | -179.9 | -47.1 | 0 | 0 | 0 | 0 | 112.1 | I179 F180 F185 T186 A187 A220 V223 | I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.1Å; I179-T183 PolarHBondContact O-OG1 3.47Å; F180-T183 PolarHBondContact O-N 3.45Å; T183-F185 VanDerWaalsContact C-N 3.35Å; T183-T186 WeakPolarHBondContact CA-OG1 3.33Å; T183-T186 PolarHBondContact O-OG1 2.86Å; T183-A187 WeakPolarHBondContact O-CB 3.15Å; T183-A187 PolarHBondContact O-N 3.28Å; T183-A220 HydrophobicContact CG2-CB 3.95Å; T183-V223 HydrophobicContact CG2-CB 4.15Å; T183-V223 HydrophobicContact CG2-CG1 4.5Å; T183-V223 HydrophobicContact CG2-CG2 4.03Å |
| 184 | M | 84.3 | Confident | 84.1 | Confident | 32 Ų | 32 | 57 Ų | 57 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 173.2 | -76.3 | -64.5 | -62 | 0 | 0 | 111.2 | F180 S181 G182 A187 W188 A216 V217 A220 | F180-M184 HydrophobicContact CD1-CG 4.14Å; F180-M184 HydrophobicContact CE1-CG 3.71Å; F180-M184 HydrophobicContact CE2-CG 4.37Å; F180-M184 HydrophobicContact CZ-CG 3.84Å; F180-M184 HydrophobicContact CZ-SD 4.15Å; F180-M184 WeakPolarHBondContact O-CB 3.34Å; F180-M184 VanDerWaalsContact O-CG 3.3Å; F180-M184 WeakPolarHBondContact O-CG 3.42Å; F180-M184 PolarHBondContact O-N 3.32Å; S181-M184 PolarHBondContact O-N 3.04Å; G182-M184 PolarHBondContact O-N 2.72Å; M184-A187 PolarHBondContact O-N 2.85Å; M184-W188 PolarHBondContact O-N 2.95Å; M184-A216 HydrophobicContact SD-CB 4.49Å; M184-V217 HydrophobicContact CE-CG2 3.85Å; M184-V217 HydrophobicContact SD-CG2 3.99Å; M184-A220 HydrophobicContact CG-CB 3.75Å; M184-A220 HydrophobicContact SD-CB 3.68Å |
| 185 | F | 83 | Confident | 82.9 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 178.3 | -170.7 | -95.6 | 0 | 0 | 0 | 111.6 | F110 S181 G182 T183 A187 W188 D189 | F110-F185 HydrophobicContact CD2-CB 4.02Å; F110-F185 HydrophobicContact CD2-CD2 4.23Å; F110-F185 HydrophobicContact CD2-CG 4Å; F110-F185 HydrophobicContact CE2-CB 4.09Å; S181-F185 WeakPolarHBondContact O-CB 3.38Å; S181-F185 PolarHBondContact O-N 2.99Å; G182-F185 PolarHBondContact O-N 3.46Å; T183-F185 VanDerWaalsContact C-N 3.35Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.19Å; F185-W188 PolarHBondContact O-N 3.5Å; F185-D189 WeakPolarHBondContact CE1-OD2 3.19Å; F185-D189 PolarHBondContact O-N 2.93Å |
| 186 | T | 85 | Confident | 81.6 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 177.2 | 57 | 0 | 0 | 0 | 0 | 112.6 | G182 T183 W188 D189 F190 | G182-T186 WeakPolarHBondContact O-CG2 3.25Å; G182-T186 PolarHBondContact O-N 2.92Å; G182-T186 PolarHBondContact O-OG1 2.91Å; T183-T186 WeakPolarHBondContact CA-OG1 3.33Å; T183-T186 PolarHBondContact O-OG1 2.86Å; T186-W188 VanDerWaalsContact C-N 3.34Å; T186-D189 PolarHBondContact O-N 2.98Å; T186-F190 WeakPolarHBondContact O-CB 3.24Å; T186-F190 PolarHBondContact O-N 3.47Å |
| 187 | A | 84.6 | Confident | 80.2 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T183 M184 F185 M191 A216 | T183-A187 WeakPolarHBondContact O-CB 3.15Å; T183-A187 PolarHBondContact O-N 3.28Å; M184-A187 PolarHBondContact O-N 2.85Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.19Å; A187-M191 VanDerWaalsContact O-CG 3.24Å; A187-M191 WeakPolarHBondContact O-CG 3.5Å; A187-M191 PolarHBondContact O-N 3.38Å; A187-A216 HydrophobicContact CB-CB 3.72Å |
| 188 | W | 79.1 | Confident | 79 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 174.8 | -81.2 | 115.3 | 0 | 0 | 0 | 112.4 | M184 F185 T186 F190 M191 D192 | M184-W188 PolarHBondContact O-N 2.95Å; F185-W188 PolarHBondContact O-N 3.5Å; T186-W188 VanDerWaalsContact C-N 3.34Å; W188-F190 VanDerWaalsContact C-N 3.29Å; W188-F190 PolarHBondContact O-N 3.06Å; W188-M191 HydrophobicContact CE3-SD 4.11Å; W188-M191 HydrophobicContact CZ3-SD 4.3Å; W188-M191 WeakPolarHBondContact O-CB 3.3Å; W188-M191 PolarHBondContact O-N 3.09Å; W188-M191 VanDerWaalsContact O-N 3.15Å; W188-D192 PolarHBondContact O-N 3.49Å; W188-D192 VanDerWaalsContact O-N 3.07Å |
| 189 | D | 82 | Confident | 77.3 | Confident | 73 Ų | 73 | 85.3 Ų | 85.3 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 176 | -75.6 | -13.5 | 0 | 0 | 0 | 111.3 | F185 T186 M191 D192 C193 | F185-D189 WeakPolarHBondContact CE1-OD2 3.19Å; F185-D189 PolarHBondContact O-N 2.93Å; T186-D189 PolarHBondContact O-N 2.98Å; D189-M191 VanDerWaalsContact C-N 3.33Å; D189-M191 PolarHBondContact O-N 3.43Å; D189-D192 PolarHBondContact O-N 3.16Å; D189-D192 VanDerWaalsContact O-N 3.15Å; D189-C193 PolarHBondContact O-N 3.44Å; D189-C193 PolarHBondContact O-SG 3.49Å |
| 190 | F | 80.7 | Confident | 75.2 | Confident | 147 Ų | 147 | 89.8 Ų | 89.8 | 65% | 0.645 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 175.7 | -175.7 | -98.5 | 0 | 0 | 0 | 112 | T186 W188 D192 C193 | T186-F190 WeakPolarHBondContact O-CB 3.24Å; T186-F190 PolarHBondContact O-N 3.47Å; W188-F190 VanDerWaalsContact C-N 3.29Å; W188-F190 PolarHBondContact O-N 3.06Å; F190-D192 VanDerWaalsContact C-N 3.26Å; F190-D192 PolarHBondContact O-N 3.16Å; F190-C193 WeakPolarHBondContact O-CB 3.36Å; F190-C193 PolarHBondContact O-N 3.04Å |
| 191 | M | 74.5 | Confident | 73.3 | Confident | 11 Ų | 11 | 92 Ų | 92 | 5% | 0.054 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.9 | -30.8 | 175.3 | -72.6 | 173.6 | -171.3 | 0 | 0 | 113.1 | A187 W188 D189 C193 L194 R197 L212 A216 | A187-M191 VanDerWaalsContact O-CG 3.24Å; A187-M191 WeakPolarHBondContact O-CG 3.5Å; A187-M191 PolarHBondContact O-N 3.38Å; W188-M191 HydrophobicContact CE3-SD 4.11Å; W188-M191 HydrophobicContact CZ3-SD 4.3Å; W188-M191 WeakPolarHBondContact O-CB 3.3Å; W188-M191 PolarHBondContact O-N 3.09Å; W188-M191 VanDerWaalsContact O-N 3.15Å; D189-M191 VanDerWaalsContact C-N 3.33Å; D189-M191 PolarHBondContact O-N 3.43Å; M191-C193 VanDerWaalsContact C-N 3.34Å; M191-L194 WeakPolarHBondContact O-CB 3.36Å; M191-L194 PolarHBondContact O-N 2.85Å; M191-R197 WeakPolarHBondContact O-CD 3.47Å; M191-L212 HydrophobicContact CE-CB 3.86Å; M191-L212 HydrophobicContact CE-CD2 4.47Å; M191-L212 WeakPolarHBondContact CE-O 3.32Å; M191-L212 HydrophobicContact SD-CB 3.97Å; M191-A216 HydrophobicContact CE-CB 3.37Å; M191-A216 HydrophobicContact SD-CB 4.49Å |
| 192 | D | 74.1 | Confident | 71.4 | Confident | 67 Ų | 67 | 99.3 Ų | 99.3 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -77.3 | -20.4 | 178 | -78.3 | -13.5 | 0 | 0 | 0 | 113.6 | W188 D189 F190 L194 R197 | W188-D192 PolarHBondContact O-N 3.49Å; W188-D192 VanDerWaalsContact O-N 3.07Å; D189-D192 PolarHBondContact O-N 3.16Å; D189-D192 VanDerWaalsContact O-N 3.15Å; F190-D192 VanDerWaalsContact C-N 3.26Å; F190-D192 PolarHBondContact O-N 3.16Å; D192-L194 VanDerWaalsContact C-N 3.3Å; D192-R197 IonicContact OD1-CZ 3.38Å; D192-R197 IonicContact OD1-NE 3.85Å; D192-R197 IonicContact OD1-NH1 2.6Å; D192-R197 PolarHBondContact OD1-NH1 2.9Å |
| 193 | C | 77 | Confident | 69.8 | Low | 92 Ų | 92 | 102.9 Ų | 102.9 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15 | 171.1 | -69.8 | 0 | 0 | 0 | 0 | 113.1 | D189 F190 M191 P195 | D189-C193 PolarHBondContact O-N 3.44Å; D189-C193 PolarHBondContact O-SG 3.49Å; F190-C193 WeakPolarHBondContact O-CB 3.36Å; F190-C193 PolarHBondContact O-N 3.04Å; M191-C193 VanDerWaalsContact C-N 3.34Å; C193-P195 WeakPolarHBondContact O-CD 3.31Å |
| 194 | L | 77 | Confident | 67.9 | Low | 57 Ų | 57 | 109.9 Ų | 109.9 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | trans | -67.9 | 118.6 | -179.9 | -67.2 | 171.8 | 0 | 0 | 0 | 110.7 | M191 D192 W196 R197 L212 | M191-L194 WeakPolarHBondContact O-CB 3.36Å; M191-L194 PolarHBondContact O-N 2.85Å; D192-L194 VanDerWaalsContact C-N 3.3Å; L194-W196 VanDerWaalsContact C-N 3.26Å; L194-W196 PolarHBondContact O-N 2.88Å; L194-R197 WeakPolarHBondContact O-CB 3.38Å; L194-R197 PolarHBondContact O-N 3.29Å; L194-L212 HydrophobicContact CD1-CD2 4.34Å | ||
| 195 | P | 66.9 | Low | 66.4 | Low | 90 Ų | 90 | 111.4 Ų | 111.4 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -31.1 | -170.2 | 20.7 | -30.6 | 0 | 0 | 0 | 113.3 | C193 R197 R198 | C193-P195 WeakPolarHBondContact O-CD 3.31Å; P195-R197 PolarHBondContact O-N 3.44Å; P195-R198 PolarHBondContact O-N 3.35Å |
| 196 | W | 65.9 | Low | 65.5 | Low | 228 Ų | 228 | 114.6 Ų | 114.6 | 86% | 0.864 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -28 | 177.1 | -56.1 | 83.2 | 0 | 0 | 0 | 112.6 | L194 | L194-W196 VanDerWaalsContact C-N 3.26Å; L194-W196 PolarHBondContact O-N 2.88Å |
| 197 | R | 62 | Low | 65 | Low | 97 Ų | 97 | 112.7 Ų | 112.7 | 37% | 0.366 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.1 | -34 | -179.1 | -165.8 | 176.4 | -169.6 | -93.3 | -4 | 113.1 | M191 D192 L194 P195 | M191-R197 WeakPolarHBondContact O-CD 3.47Å; D192-R197 IonicContact OD1-CZ 3.38Å; D192-R197 IonicContact OD1-NE 3.85Å; D192-R197 IonicContact OD1-NH1 2.6Å; D192-R197 PolarHBondContact OD1-NH1 2.9Å; L194-R197 WeakPolarHBondContact O-CB 3.38Å; L194-R197 PolarHBondContact O-N 3.29Å; P195-R197 PolarHBondContact O-N 3.44Å |
| 198 | R | 59.6 | Low | 64.6 | Low | 204 Ų | 204 | 116.5 Ų | 116.5 | 77% | 0.77 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -75.3 | -24.9 | 179.4 | -71.1 | -171.2 | -166.4 | 170.4 | 4.2 | 113 | P195 | P195-R198 PolarHBondContact O-N 3.35Å |
| 199 | R | 52.3 | Low | 64.6 | Low | 218 Ų | 218 | 112.2 Ų | 112.2 | 82% | 0.823 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -84.2 | -14.8 | -162 | -162.6 | 165.3 | 170.8 | 134.5 | -3.2 | 115.5 | ||
| 200 | Q | 45.2 | Very low | 64.6 | Low | 147 Ų | 147 | 111.7 Ų | 111.7 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | trans | -152.7 | 117 | -176.4 | -111.2 | 156.1 | -9.5 | 0 | 0 | 115.5 | R202 | Q200-R202 HydrophobicContact CB-CG 4.44Å; Q200-R202 HydrophobicContact CG-CG 4.12Å; Q200-R202 PolarHBondContact O-N 3.45Å | ||
| 201 | A | 48.2 | Very low | 64.9 | Low | 115 Ų | 115 | 109.6 Ų | 109.6 | 95% | 0.95 | 53% | 0.53 | S | S | * | . | trans | -73.2 | 39.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 202 | R | 45.3 | Very low | 65.4 | Low | 183 Ų | 183 | 111.6 Ų | 111.6 | 69% | 0.691 | 54% | 0.541 | S | S | * | . | trans | -97.8 | 141.7 | 178 | -71.4 | -93.8 | -179.5 | 173.4 | -2.1 | 109.5 | Q200 F204 | Q200-R202 HydrophobicContact CB-CG 4.44Å; Q200-R202 HydrophobicContact CG-CG 4.12Å; Q200-R202 PolarHBondContact O-N 3.45Å; R202-F204 HydrophobicContact CB-CB 4.42Å; R202-F204 PolarHBondContact O-N 2.9Å | ||
| 203 | P | 51.4 | Low | 65.9 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -67 | 14 | 176.4 | 27 | -33 | 0 | 0 | 0 | 114.7 | L205 Y206 | P203-L205 PolarHBondContact O-N 3.37Å; P203-L205 VanDerWaalsContact O-N 3.07Å; P203-Y206 HydrophobicContact CB-CD2 4.49Å; P203-Y206 HydrophobicContact CB-CE2 3.75Å; P203-Y206 WeakPolarHBondContact O-CD2 3.47Å; P203-Y206 WeakPolarHBondContact O-CE2 3.23Å |
| 204 | F | 47 | Very low | 66.5 | Low | 172 Ų | 172 | 105.5 Ų | 105.5 | 75% | 0.754 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -64 | -8.7 | 177 | -164.8 | -103.5 | 0 | 0 | 0 | 113.2 | R202 | R202-F204 HydrophobicContact CB-CB 4.42Å; R202-F204 PolarHBondContact O-N 2.9Å |
| 205 | L | 54 | Low | 67.1 | Low | 63 Ų | 63 | 106.8 Ų | 106.8 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -99.1 | 7.1 | -166.8 | -146.6 | 81.4 | 0 | 0 | 0 | 116.1 | P203 G207 E208 A209 | P203-L205 PolarHBondContact O-N 3.37Å; P203-L205 VanDerWaalsContact O-N 3.07Å; L205-G207 PolarHBondContact O-N 3.3Å; L205-E208 HydrophobicContact CD1-CB 4.23Å; L205-E208 WeakPolarHBondContact CD1-OE2 3.15Å; L205-E208 HydrophobicContact CG-CB 4.43Å; L205-A209 HydrophobicContact CD2-CB 4.1Å; L205-A209 HydrophobicContact CG-CB 4.18Å; L205-A209 WeakPolarHBondContact O-CB 3.35Å; L205-A209 PolarHBondContact O-N 3.39Å |
| 206 | Y | 64.8 | Low | 68.1 | Low | 140 Ų | 140 | 102.6 Ų | 102.6 | 55% | 0.549 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | -178.4 | -70.1 | -74.2 | 0 | 0 | 0 | 112.1 | P203 Y210 N293 | P203-Y206 HydrophobicContact CB-CD2 4.49Å; P203-Y206 HydrophobicContact CB-CE2 3.75Å; P203-Y206 WeakPolarHBondContact O-CD2 3.47Å; P203-Y206 WeakPolarHBondContact O-CE2 3.23Å; Y206-Y210 WeakPolarHBondContact O-CB 3.44Å; Y206-Y210 PolarHBondContact O-N 2.89Å; Y206-N293 WeakPolarHBondContact CE1-OD1 3.22Å |
| 207 | G | 74 | Confident | 69.3 | Low | 43 Ų | 43 | 92.8 Ų | 92.8 | 44% | 0.443 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.2 | -46.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L205 Y210 I211 | L205-G207 PolarHBondContact O-N 3.3Å; G207-Y210 WeakPolarHBondContact O-CB 2.99Å; G207-Y210 PolarHBondContact O-N 3.48Å; G207-I211 VanDerWaalsContact O-CG1 3.29Å; G207-I211 WeakPolarHBondContact O-CG1 3.37Å; G207-I211 PolarHBondContact O-N 2.95Å |
| 208 | E | 76.1 | Confident | 70.7 | Confident | 97 Ų | 97 | 88.8 Ų | 88.8 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | -178.8 | -68 | -177.8 | -179.8 | 0 | 0 | 112.5 | L205 Y210 I211 L212 | L205-E208 HydrophobicContact CD1-CB 4.23Å; L205-E208 WeakPolarHBondContact CD1-OE2 3.15Å; L205-E208 HydrophobicContact CG-CB 4.43Å; E208-Y210 VanDerWaalsContact C-N 3.26Å; E208-Y210 PolarHBondContact O-N 3.29Å; E208-I211 PolarHBondContact O-N 3.14Å; E208-L212 WeakPolarHBondContact O-CB 3.23Å; E208-L212 VanDerWaalsContact O-CG 3.32Å; E208-L212 WeakPolarHBondContact O-CG 3.26Å; E208-L212 PolarHBondContact O-N 3.12Å |
| 209 | A | 78.4 | Confident | 72.1 | Confident | 18 Ų | 18 | 81 Ų | 81 | 15% | 0.149 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.2 | -33.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L205 S213 W289 | L205-A209 HydrophobicContact CD2-CB 4.1Å; L205-A209 HydrophobicContact CG-CB 4.18Å; L205-A209 WeakPolarHBondContact O-CB 3.35Å; L205-A209 PolarHBondContact O-N 3.39Å; A209-S213 WeakPolarHBondContact O-CB 3.41Å; A209-S213 PolarHBondContact O-N 2.83Å; A209-S213 PolarHBondContact O-OG 3.04Å; A209-W289 VanDerWaalsContact C-CZ2 3.47Å; A209-W289 HydrophobicContact CB-CH2 3.34Å; A209-W289 HydrophobicContact CB-CZ2 3.62Å; A209-W289 HydrophobicContact CB-CZ3 4.36Å; A209-W289 WeakPolarHBondContact O-CZ2 3.27Å |
| 210 | Y | 83.3 | Confident | 74 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -52.3 | 169.7 | 170.4 | -97.1 | 0 | 0 | 0 | 111.2 | Y206 G207 E208 L212 S213 V214 V282 V285 T286 W289 | Y206-Y210 WeakPolarHBondContact O-CB 3.44Å; Y206-Y210 PolarHBondContact O-N 2.89Å; G207-Y210 WeakPolarHBondContact O-CB 2.99Å; G207-Y210 PolarHBondContact O-N 3.48Å; E208-Y210 VanDerWaalsContact C-N 3.26Å; E208-Y210 PolarHBondContact O-N 3.29Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; Y210-L212 PolarHBondContact O-N 2.74Å; Y210-S213 PolarHBondContact O-N 2.86Å; Y210-S213 VanDerWaalsContact O-N 3.12Å; Y210-S213 PolarHBondContact O-OG 2.96Å; Y210-V214 HydrophobicContact CD1-CG2 4.43Å; Y210-V214 HydrophobicContact CD2-CG2 4.44Å; Y210-V214 HydrophobicContact CE1-CG2 3.99Å; Y210-V214 HydrophobicContact CE2-CG2 4Å; Y210-V214 WeakPolarHBondContact O-CG2 3.42Å; Y210-V214 PolarHBondContact O-N 3.5Å; Y210-V282 WeakPolarHBondContact OH-CG1 3.31Å; Y210-V285 HydrophobicContact CD2-CG1 3.89Å; Y210-V285 HydrophobicContact CE2-CB 4.47Å; Y210-V285 HydrophobicContact CE2-CG1 3.83Å; Y210-T286 WeakPolarHBondContact CE2-OG1 3.33Å; Y210-T286 PolarHBondContact OH-OG1 2.74Å; Y210-W289 HydrophobicContact CD2-CB 4.36Å; Y210-W289 AromaticContact CD2-CD1 3.78Å; Y210-W289 AromaticContact CD2-CG 3.96Å; Y210-W289 HydrophobicContact CD2-CG 3.96Å |
| 211 | I | 86.2 | Confident | 76.2 | Confident | 102 Ų | 102 | 63.8 Ų | 63.8 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 178.9 | -67.4 | 163.4 | 0 | 0 | 0 | 110.8 | G207 E208 S213 V214 V215 | G207-I211 VanDerWaalsContact O-CG1 3.29Å; G207-I211 WeakPolarHBondContact O-CG1 3.37Å; G207-I211 PolarHBondContact O-N 2.95Å; E208-I211 PolarHBondContact O-N 3.14Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.45Å; I211-V214 PolarHBondContact O-N 2.86Å; I211-V214 VanDerWaalsContact O-N 3.17Å; I211-V215 HydrophobicContact CG2-CG2 4.45Å; I211-V215 WeakPolarHBondContact O-CG2 3.41Å; I211-V215 PolarHBondContact O-N 2.87Å |
| 212 | L | 84.6 | Confident | 78.2 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 176.6 | -73.3 | 172.3 | 0 | 0 | 0 | 110.9 | M191 L194 E208 Y210 V214 V215 A216 | M191-L212 HydrophobicContact CE-CB 3.86Å; M191-L212 HydrophobicContact CE-CD2 4.47Å; M191-L212 WeakPolarHBondContact CE-O 3.32Å; M191-L212 HydrophobicContact SD-CB 3.97Å; L194-L212 HydrophobicContact CD1-CD2 4.34Å; E208-L212 WeakPolarHBondContact O-CB 3.23Å; E208-L212 VanDerWaalsContact O-CG 3.32Å; E208-L212 WeakPolarHBondContact O-CG 3.26Å; E208-L212 PolarHBondContact O-N 3.12Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; Y210-L212 PolarHBondContact O-N 2.74Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.05Å; L212-V215 WeakPolarHBondContact O-CB 3.3Å; L212-V215 PolarHBondContact O-N 3.47Å; L212-V215 VanDerWaalsContact O-N 3.1Å; L212-A216 PolarHBondContact O-N 3.44Å |
| 213 | S | 84.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 57 Ų | 57 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 178.7 | 70 | 0 | 0 | 0 | 0 | 113.4 | A209 Y210 I211 V215 A216 V217 V285 W289 | A209-S213 WeakPolarHBondContact O-CB 3.41Å; A209-S213 PolarHBondContact O-N 2.83Å; A209-S213 PolarHBondContact O-OG 3.04Å; Y210-S213 PolarHBondContact O-N 2.86Å; Y210-S213 VanDerWaalsContact O-N 3.12Å; Y210-S213 PolarHBondContact O-OG 2.96Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.45Å; S213-V215 VanDerWaalsContact C-N 3.35Å; S213-A216 PolarHBondContact O-N 2.78Å; S213-V217 WeakPolarHBondContact O-CB 3.45Å; S213-V217 VanDerWaalsContact O-CG2 3.28Å; S213-V217 WeakPolarHBondContact O-CG2 3.18Å; S213-V217 PolarHBondContact O-N 3.25Å; S213-V285 WeakPolarHBondContact OG-CG1 3.37Å; S213-W289 PolarHBondContact OG-NE1 3.47Å |
| 214 | V | 89.1 | Confident | 82.4 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | Y210 I211 L212 S218 V282 V285 | Y210-V214 HydrophobicContact CD1-CG2 4.43Å; Y210-V214 HydrophobicContact CD2-CG2 4.44Å; Y210-V214 HydrophobicContact CE1-CG2 3.99Å; Y210-V214 HydrophobicContact CE2-CG2 4Å; Y210-V214 WeakPolarHBondContact O-CG2 3.42Å; Y210-V214 PolarHBondContact O-N 3.5Å; I211-V214 PolarHBondContact O-N 2.86Å; I211-V214 VanDerWaalsContact O-N 3.17Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.05Å; V214-S218 WeakPolarHBondContact O-CB 3.35Å; V214-S218 PolarHBondContact O-N 2.71Å; V214-S218 PolarHBondContact O-OG 3.14Å; V214-V282 HydrophobicContact CG1-CG2 3.84Å; V214-V285 HydrophobicContact CG2-CB 4.07Å; V214-V285 HydrophobicContact CG2-CG1 3.77Å; V214-V285 HydrophobicContact CG2-CG2 4.48Å |
| 215 | V | 88.9 | Confident | 84.6 | Confident | 85 Ų | 85 | 44.4 Ų | 44.4 | 52% | 0.515 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | I211 L212 S213 S218 A219 | I211-V215 HydrophobicContact CG2-CG2 4.45Å; I211-V215 WeakPolarHBondContact O-CG2 3.41Å; I211-V215 PolarHBondContact O-N 2.87Å; L212-V215 WeakPolarHBondContact O-CB 3.3Å; L212-V215 PolarHBondContact O-N 3.47Å; L212-V215 VanDerWaalsContact O-N 3.1Å; S213-V215 VanDerWaalsContact C-N 3.35Å; V215-S218 PolarHBondContact O-N 3.33Å; V215-A219 VanDerWaalsContact O-CB 3.28Å; V215-A219 WeakPolarHBondContact O-CB 3.37Å; V215-A219 PolarHBondContact O-N 2.97Å |
| 216 | A | 88.8 | Confident | 86.4 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -50.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M184 A187 M191 L212 S213 S218 A219 A220 | M184-A216 HydrophobicContact SD-CB 4.49Å; A187-A216 HydrophobicContact CB-CB 3.72Å; M191-A216 HydrophobicContact CE-CB 3.37Å; M191-A216 HydrophobicContact SD-CB 4.49Å; L212-A216 PolarHBondContact O-N 3.44Å; S213-A216 PolarHBondContact O-N 2.78Å; A216-S218 VanDerWaalsContact C-N 3.29Å; A216-S218 PolarHBondContact O-N 3.26Å; A216-A219 PolarHBondContact O-N 3.45Å; A216-A220 WeakPolarHBondContact O-CB 3.38Å; A216-A220 PolarHBondContact O-N 3.32Å |
| 217 | V | 90.8 | Very high | 87.8 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | -179 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | M184 S213 A221 V285 | M184-V217 HydrophobicContact CE-CG2 3.85Å; M184-V217 HydrophobicContact SD-CG2 3.99Å; S213-V217 WeakPolarHBondContact O-CB 3.45Å; S213-V217 VanDerWaalsContact O-CG2 3.28Å; S213-V217 WeakPolarHBondContact O-CG2 3.18Å; S213-V217 PolarHBondContact O-N 3.25Å; V217-A221 WeakPolarHBondContact O-CB 3.23Å; V217-A221 PolarHBondContact O-N 3.5Å; V217-V285 HydrophobicContact CB-CG2 4.17Å; V217-V285 HydrophobicContact CG1-CG2 4.46Å; V217-V285 HydrophobicContact CG2-CG2 3.83Å |
| 218 | S | 91.1 | Very high | 88.7 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 176.6 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | V214 V215 A216 A221 I222 S281 | V214-S218 WeakPolarHBondContact O-CB 3.35Å; V214-S218 PolarHBondContact O-N 2.71Å; V214-S218 PolarHBondContact O-OG 3.14Å; V215-S218 PolarHBondContact O-N 3.33Å; A216-S218 VanDerWaalsContact C-N 3.29Å; A216-S218 PolarHBondContact O-N 3.26Å; S218-A221 PolarHBondContact O-N 3.4Å; S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.48Å; S218-S281 PolarHBondContact OG-OG 3.46Å; S218-S281 VanDerWaalsContact OG-OG 3.06Å |
| 219 | A | 90.8 | Very high | 89.4 | Confident | 39 Ų | 39 | 32 Ų | 32 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V215 A216 A221 I222 V223 | V215-A219 VanDerWaalsContact O-CB 3.28Å; V215-A219 WeakPolarHBondContact O-CB 3.37Å; V215-A219 PolarHBondContact O-N 2.97Å; A216-A219 PolarHBondContact O-N 3.45Å; A219-A221 VanDerWaalsContact C-N 3.27Å; A219-A221 PolarHBondContact O-N 3.19Å; A219-I222 PolarHBondContact O-N 3.39Å; A219-I222 VanDerWaalsContact O-N 3.16Å; A219-V223 WeakPolarHBondContact O-CG2 3.14Å; A219-V223 PolarHBondContact O-N 2.73Å |
| 220 | A | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F180 T183 M184 A216 V223 S224 | F180-A220 HydrophobicContact CD2-CB 3.91Å; F180-A220 HydrophobicContact CE2-CB 3.79Å; F180-A220 HydrophobicContact CZ-CB 4.48Å; T183-A220 HydrophobicContact CG2-CB 3.95Å; M184-A220 HydrophobicContact CG-CB 3.75Å; M184-A220 HydrophobicContact SD-CB 3.68Å; A216-A220 WeakPolarHBondContact O-CB 3.38Å; A216-A220 PolarHBondContact O-N 3.32Å; A220-V223 PolarHBondContact O-N 3.36Å; A220-S224 WeakPolarHBondContact O-CB 3.49Å; A220-S224 PolarHBondContact O-N 2.87Å; A220-S224 PolarHBondContact O-OG 3.36Å |
| 221 | A | 90.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.3 | -31.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V217 S218 A219 S224 Q225 N277 | V217-A221 WeakPolarHBondContact O-CB 3.23Å; V217-A221 PolarHBondContact O-N 3.5Å; S218-A221 PolarHBondContact O-N 3.4Å; A219-A221 VanDerWaalsContact C-N 3.27Å; A219-A221 PolarHBondContact O-N 3.19Å; A221-S224 PolarHBondContact O-OG 2.8Å; A221-Q225 PolarHBondContact O-N 3.11Å; A221-Q225 PolarHBondContact O-OE1 3.48Å; A221-N277 VanDerWaalsContact CB-ND2 3.26Å; A221-N277 WeakPolarHBondContact CB-ND2 3.18Å; A221-N277 PolarHBondContact O-ND2 3.32Å |
| 222 | I | 92.2 | Very high | 90.7 | Very high | 75 Ų | 75 | 26 Ų | 26 | 39% | 0.385 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -71.6 | -44.7 | 173.8 | -69.5 | 164.6 | 0 | 0 | 0 | 110.6 | S218 A219 S224 Q225 V278 | S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.48Å; A219-I222 PolarHBondContact O-N 3.39Å; A219-I222 VanDerWaalsContact O-N 3.16Å; I222-S224 VanDerWaalsContact C-N 3.34Å; I222-S224 PolarHBondContact O-N 2.61Å; I222-Q225 WeakPolarHBondContact O-CB 3.32Å; I222-Q225 PolarHBondContact O-N 3.27Å; I222-Q225 VanDerWaalsContact O-N 3.16Å; I222-V278 HydrophobicContact CD1-CG2 4.28Å; I222-V278 HydrophobicContact CG1-CG2 4.42Å |
| 223 | V | 92.1 | Very high | 91 | Very high | 80 Ų | 80 | 23.5 Ų | 23.5 | 49% | 0.485 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | I179 T183 A219 A220 Q225 P226 | I179-V223 HydrophobicContact CG2-CG1 3.84Å; T183-V223 HydrophobicContact CG2-CB 4.15Å; T183-V223 HydrophobicContact CG2-CG1 4.5Å; T183-V223 HydrophobicContact CG2-CG2 4.03Å; A219-V223 WeakPolarHBondContact O-CG2 3.14Å; A219-V223 PolarHBondContact O-N 2.73Å; A220-V223 PolarHBondContact O-N 3.36Å; V223-Q225 VanDerWaalsContact C-N 3.26Å; V223-Q225 PolarHBondContact O-N 3.1Å; V223-P226 WeakPolarHBondContact O-CD 3.36Å |
| 224 | S | 91.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.2 | 176.5 | 75.1 | 0 | 0 | 0 | 0 | 114 | A220 A221 I222 V227 D228 | A220-S224 WeakPolarHBondContact O-CB 3.49Å; A220-S224 PolarHBondContact O-N 2.87Å; A220-S224 PolarHBondContact O-OG 3.36Å; A221-S224 PolarHBondContact O-OG 2.8Å; I222-S224 VanDerWaalsContact C-N 3.34Å; I222-S224 PolarHBondContact O-N 2.61Å; S224-V227 PolarHBondContact O-N 3.3Å; S224-D228 PolarHBondContact O-N 3.47Å |
| 225 | Q | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | -171.3 | -166.5 | 76.5 | 11 | 0 | 0 | 114 | A221 I222 V223 V227 D228 V229 F271 H272 G273 N277 | A221-Q225 PolarHBondContact O-N 3.11Å; A221-Q225 PolarHBondContact O-OE1 3.48Å; I222-Q225 WeakPolarHBondContact O-CB 3.32Å; I222-Q225 PolarHBondContact O-N 3.27Å; I222-Q225 VanDerWaalsContact O-N 3.16Å; V223-Q225 VanDerWaalsContact C-N 3.26Å; V223-Q225 PolarHBondContact O-N 3.1Å; Q225-V227 VanDerWaalsContact C-N 3.3Å; Q225-V227 PolarHBondContact O-N 2.66Å; Q225-D228 WeakPolarHBondContact O-CB 3.42Å; Q225-D228 PolarHBondContact O-N 2.94Å; Q225-V229 HydrophobicContact CG-CG2 4.49Å; Q225-V229 WeakPolarHBondContact O-CG2 3.25Å; Q225-V229 PolarHBondContact O-N 3.48Å; Q225-F271 HydrophobicContact CB-CD1 4.39Å; Q225-F271 HydrophobicContact CG-CD1 4.4Å; Q225-H272 PolarHBondContact NE2-O 3.37Å; Q225-G273 PolarHBondContact NE2-O 3.36Å; Q225-N277 PolarHBondContact OE1-ND2 3.05Å |
| 226 | P | 93.3 | Very high | 91.1 | Very high | 36 Ų | 36 | 18.1 Ų | 18.1 | 23% | 0.234 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | -178.2 | -25.5 | 36.9 | 0 | 0 | 0 | 112.3 | V223 V229 I230 F270 F271 | V223-P226 WeakPolarHBondContact O-CD 3.36Å; P226-V229 PolarHBondContact O-N 3.26Å; P226-I230 VanDerWaalsContact O-CD1 3.3Å; P226-I230 WeakPolarHBondContact O-CD1 3.42Å; P226-I230 VanDerWaalsContact O-CG1 3.31Å; P226-I230 WeakPolarHBondContact O-CG1 3.14Å; P226-I230 PolarHBondContact O-N 3.45Å; P226-F270 HydrophobicContact CB-CB 4.08Å; P226-F270 HydrophobicContact CB-CD1 4.34Å; P226-F270 HydrophobicContact CG-CB 4.45Å; P226-F271 HydrophobicContact CG-CE1 4.45Å; P226-F271 HydrophobicContact CG-CZ 4.18Å |
| 227 | V | 93.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 18.2 Ų | 18.2 | 16% | 0.164 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.5 | -40.7 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | P172 I175 I179 S224 Q225 V229 I230 R231 | P172-V227 HydrophobicContact CB-CG1 4.14Å; P172-V227 WeakPolarHBondContact O-CG1 3.37Å; I175-V227 HydrophobicContact CB-CG1 4.38Å; I175-V227 HydrophobicContact CG2-CG1 4.27Å; I175-V227 HydrophobicContact CG2-CG2 4.46Å; I179-V227 HydrophobicContact CD1-CB 4.45Å; I179-V227 HydrophobicContact CD1-CG2 3.61Å; S224-V227 PolarHBondContact O-N 3.3Å; Q225-V227 VanDerWaalsContact C-N 3.3Å; Q225-V227 PolarHBondContact O-N 2.66Å; V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 PolarHBondContact O-N 2.88Å; V227-I230 PolarHBondContact O-N 3.3Å; V227-R231 VanDerWaalsContact O-CB 3.27Å; V227-R231 WeakPolarHBondContact O-CB 3.35Å; V227-R231 PolarHBondContact O-N 2.98Å |
| 228 | D | 92.3 | Very high | 90 | Very high | 18 Ų | 18 | 17.3 Ų | 17.3 | 10% | 0.096 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 173.5 | -88.5 | -4 | 0 | 0 | 0 | 112.1 | K36 S224 Q225 R231 H232 | K36-D228 IonicContact NZ-OD2 3.22Å; K36-D228 PolarHBondContact NZ-OD2 3.49Å; S224-D228 PolarHBondContact O-N 3.47Å; Q225-D228 WeakPolarHBondContact O-CB 3.42Å; Q225-D228 PolarHBondContact O-N 2.94Å; D228-R231 WeakPolarHBondContact O-CB 3.26Å; D228-R231 PolarHBondContact O-N 3.21Å; D228-H232 PolarHBondContact O-N 2.98Å; D228-H232 PolarHBondContact O-ND1 3.24Å |
| 229 | V | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -50.5 | 177.4 | 167.3 | 0 | 0 | 0 | 0 | 110.4 | Q40 Q225 P226 V227 R231 H232 K233 F270 | Q40-V229 HydrophobicContact CB-CG2 4.22Å; Q40-V229 HydrophobicContact CG-CG2 3.85Å; Q225-V229 HydrophobicContact CG-CG2 4.49Å; Q225-V229 WeakPolarHBondContact O-CG2 3.25Å; Q225-V229 PolarHBondContact O-N 3.48Å; P226-V229 PolarHBondContact O-N 3.26Å; V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 PolarHBondContact O-N 2.88Å; V229-R231 VanDerWaalsContact C-N 3.3Å; V229-R231 PolarHBondContact O-N 3.39Å; V229-H232 PolarHBondContact O-N 2.96Å; V229-K233 HydrophobicContact CG1-CD 4.15Å; V229-K233 HydrophobicContact CG1-CG 4.49Å; V229-K233 WeakPolarHBondContact O-CG 3.4Å; V229-K233 PolarHBondContact O-N 3.26Å; V229-F270 VanDerWaalsContact CG2-O 3.29Å; V229-F270 WeakPolarHBondContact CG2-O 3.33Å |
| 230 | I | 92 | Very high | 87.3 | Confident | 13 Ų | 13 | 19.9 Ų | 19.9 | 7% | 0.067 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 179.6 | -60.7 | 154.5 | 0 | 0 | 0 | 110.3 | P226 V227 H232 K233 V234 V254 A257 I258 F270 | P226-I230 VanDerWaalsContact O-CD1 3.3Å; P226-I230 WeakPolarHBondContact O-CD1 3.42Å; P226-I230 VanDerWaalsContact O-CG1 3.31Å; P226-I230 WeakPolarHBondContact O-CG1 3.14Å; P226-I230 PolarHBondContact O-N 3.45Å; V227-I230 PolarHBondContact O-N 3.3Å; I230-H232 PolarHBondContact O-N 3.46Å; I230-K233 PolarHBondContact O-N 3.32Å; I230-V234 HydrophobicContact CG2-CG2 4.36Å; I230-V234 WeakPolarHBondContact O-CG2 3.34Å; I230-V234 PolarHBondContact O-N 2.94Å; I230-V254 HydrophobicContact CG2-CG1 3.85Å; I230-A257 HydrophobicContact CG2-CB 4.22Å; I230-I258 HydrophobicContact CD1-CD1 4.02Å; I230-I258 HydrophobicContact CD1-CG1 3.47Å; I230-I258 VanDerWaalsContact CD1-CG1 3.47Å; I230-I258 HydrophobicContact CG1-CG1 3.96Å; I230-I258 HydrophobicContact CG2-CG1 4.28Å; I230-F270 HydrophobicContact CD1-CD1 4.32Å; I230-F270 HydrophobicContact CD1-CE1 4.05Å; I230-F270 HydrophobicContact CG1-CD1 4.32Å; I230-F270 HydrophobicContact CG1-CE1 4.08Å |
| 231 | R | 92 | Very high | 86.1 | Confident | 25 Ų | 25 | 20.7 Ų | 20.7 | 9% | 0.094 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.7 | -53.3 | 175.7 | -170.4 | -158.9 | 169 | 144.9 | 5.4 | 110.8 | D128 P172 S173 V227 D228 V229 K233 V234 M235 | D128-R231 IonicContact OD2-CZ 3.38Å; D128-R231 IonicContact OD2-NH2 3.49Å; D128-R231 PolarHBondContact OD2-NH2 2.96Å; P172-R231 HydrophobicContact CB-CB 4.05Å; P172-R231 HydrophobicContact CB-CG 4.47Å; P172-R231 HydrophobicContact CG-CB 4.2Å; P172-R231 HydrophobicContact CG-CG 4.34Å; S173-R231 WeakPolarHBondContact OG-CD 3.42Å; S173-R231 WeakPolarHBondContact OG-CG 3.35Å; S173-R231 PolarHBondContact OG-NE 3.42Å; S173-R231 PolarHBondContact OG-NH2 3.48Å; V227-R231 VanDerWaalsContact O-CB 3.27Å; V227-R231 WeakPolarHBondContact O-CB 3.35Å; V227-R231 PolarHBondContact O-N 2.98Å; D228-R231 WeakPolarHBondContact O-CB 3.26Å; D228-R231 PolarHBondContact O-N 3.21Å; V229-R231 VanDerWaalsContact C-N 3.3Å; V229-R231 PolarHBondContact O-N 3.39Å; R231-K233 PolarHBondContact O-N 3.49Å; R231-V234 PolarHBondContact O-N 3.19Å; R231-M235 HydrophobicContact CB-CE 4.49Å; R231-M235 HydrophobicContact CG-CE 3.64Å; R231-M235 HydrophobicContact CG-CG 4.42Å; R231-M235 HydrophobicContact CG-SD 3.92Å; R231-M235 PolarHBondContact NE-SD 3.29Å; R231-M235 WeakPolarHBondContact O-CB 3.32Å; R231-M235 VanDerWaalsContact O-CG 3.23Å; R231-M235 WeakPolarHBondContact O-CG 3.47Å; R231-M235 PolarHBondContact O-N 2.9Å |
| 232 | H | 91.7 | Very high | 84.5 | Confident | 20 Ų | 20 | 22.7 Ų | 22.7 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.5 | -33.3 | -177.3 | -69.1 | 89.9 | 0 | 0 | 0 | 112.9 | Q40 D228 V229 I230 M235 A236 | Q40-H232 HydrophobicContact CB-CB 3.93Å; Q40-H232 PolarHBondContact OE1-CE1 3.14Å; Q40-H232 PolarHBondContact OE1-ND1 3.37Å; D228-H232 PolarHBondContact O-N 2.98Å; D228-H232 PolarHBondContact O-ND1 3.24Å; V229-H232 PolarHBondContact O-N 2.96Å; I230-H232 PolarHBondContact O-N 3.46Å; H232-M235 HydrophobicContact CB-CE 4.49Å; H232-A236 WeakPolarHBondContact O-CB 3.45Å; H232-A236 PolarHBondContact O-N 3.1Å |
| 233 | K | 89.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 172.4 | -70.8 | -175.6 | 179.5 | -164.6 | 0 | 112.1 | Q40 V229 I230 R231 S237 V249 T261 N265 | Q40-K233 VanDerWaalsContact O-CG 3.3Å; Q40-K233 WeakPolarHBondContact O-CG 3.32Å; V229-K233 HydrophobicContact CG1-CD 4.15Å; V229-K233 HydrophobicContact CG1-CG 4.49Å; V229-K233 WeakPolarHBondContact O-CG 3.4Å; V229-K233 PolarHBondContact O-N 3.26Å; I230-K233 PolarHBondContact O-N 3.32Å; R231-K233 PolarHBondContact O-N 3.49Å; K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 3.05Å; K233-S237 PolarHBondContact O-OG 3.32Å; K233-V249 HydrophobicContact CD-CB 4.33Å; K233-V249 HydrophobicContact CD-CG2 4.23Å; K233-T261 WeakPolarHBondContact CD-OG1 3.47Å; K233-T261 PolarHBondContact NZ-OG1 2.96Å; K233-N265 PolarHBondContact NZ-ND2 3.32Å |
| 234 | V | 90.2 | Very high | 81.5 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.9 | -39.1 | 178.9 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | I230 R231 S237 V252 A257 | I230-V234 HydrophobicContact CG2-CG2 4.36Å; I230-V234 WeakPolarHBondContact O-CG2 3.34Å; I230-V234 PolarHBondContact O-N 2.94Å; R231-V234 PolarHBondContact O-N 3.19Å; V234-S237 PolarHBondContact O-N 3.47Å; V234-V252 WeakPolarHBondContact CG1-O 3.47Å; V234-A257 HydrophobicContact CG2-CB 3.77Å |
| 235 | M | 88.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 177.2 | -72.8 | -173 | -50.3 | 0 | 0 | 112.7 | D128 V129 T132 R133 R168 R231 H232 | D128-M235 HydrophobicContact CB-SD 4.46Å; V129-M235 HydrophobicContact CG2-CB 4.46Å; V129-M235 HydrophobicContact CG2-CG 4.08Å; V129-M235 HydrophobicContact CG2-SD 4.25Å; T132-M235 HydrophobicContact CG2-CB 4.04Å; R133-M235 PolarHBondContact NE-O 2.99Å; R133-M235 VanDerWaalsContact NE-O 3.16Å; R168-M235 WeakPolarHBondContact O-CG 3.21Å; R231-M235 HydrophobicContact CB-CE 4.49Å; R231-M235 HydrophobicContact CG-CE 3.64Å; R231-M235 HydrophobicContact CG-CG 4.42Å; R231-M235 HydrophobicContact CG-SD 3.92Å; R231-M235 PolarHBondContact NE-SD 3.29Å; R231-M235 WeakPolarHBondContact O-CB 3.32Å; R231-M235 VanDerWaalsContact O-CG 3.23Å; R231-M235 WeakPolarHBondContact O-CG 3.47Å; R231-M235 PolarHBondContact O-N 2.9Å; H232-M235 HydrophobicContact CB-CE 4.49Å |
| 236 | A | 86.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75 | -28.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T132 V136 H232 S238 T247 | T132-A236 HydrophobicContact CG2-CB 3.97Å; V136-A236 HydrophobicContact CG1-CB 3.95Å; V136-A236 HydrophobicContact CG2-CB 4.09Å; H232-A236 WeakPolarHBondContact O-CB 3.45Å; H232-A236 PolarHBondContact O-N 3.1Å; A236-S238 PolarHBondContact O-N 2.95Å; A236-S238 VanDerWaalsContact O-N 3.15Å; A236-T247 HydrophobicContact CB-CG2 3.36Å |
| 237 | S | 81.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | trans | -67.1 | 110.8 | -179.6 | -69 | 0 | 0 | 0 | 0 | 111.5 | R168 K233 V234 V249 T251 | R168-S237 PolarHBondContact NH1-O 2.94Å; R168-S237 VanDerWaalsContact NH1-O 3.08Å; K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 3.05Å; K233-S237 PolarHBondContact O-OG 3.32Å; V234-S237 PolarHBondContact O-N 3.47Å; S237-V249 PolarHBondContact OG-O 3.09Å; S237-T251 WeakPolarHBondContact CB-O 3.45Å; S237-T251 PolarHBondContact OG-O 3.49Å | ||
| 238 | S | 73.8 | Confident | 76.6 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | trans | -149.2 | 119.3 | -176.5 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | R133 E161 A236 A240 L241 T244 | R133-S238 PolarHBondContact NH1-OG 3.39Å; E161-S238 VanDerWaalsContact OE1-CA 3.27Å; E161-S238 WeakPolarHBondContact OE1-CA 3.44Å; E161-S238 VanDerWaalsContact OE1-CB 3.24Å; E161-S238 WeakPolarHBondContact OE1-CB 3.44Å; E161-S238 PolarHBondContact OE1-OG 3.3Å; A236-S238 PolarHBondContact O-N 2.95Å; A236-S238 VanDerWaalsContact O-N 3.15Å; S238-A240 PolarHBondContact O-N 3.23Å; S238-A240 VanDerWaalsContact O-N 3.14Å; S238-A240 VanDerWaalsContact OG-CB 3.31Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 3.12Å; S238-L241 PolarHBondContact O-N 3.01Å; S238-L241 VanDerWaalsContact O-N 3.14Å; S238-T244 PolarHBondContact N-O 2.96Å; S238-T244 CarbonylContact O-C 3.4Å; S238-T244 WeakPolarHBondContact O-CA 3.34Å | ||
| 239 | P | 65.9 | Low | 75.6 | Confident | 96 Ų | 96 | 23.9 Ų | 23.9 | 62% | 0.623 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.1 | 170.7 | 22.4 | -35.1 | 0 | 0 | 0 | 113.6 | E161 L241 | E161-P239 WeakPolarHBondContact OE1-CD 3.32Å; P239-L241 PolarHBondContact O-N 3.16Å |
| 240 | A | 60.5 | Low | 74.9 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K156 Q160 S238 | K156-A240 WeakPolarHBondContact CE-O 3.46Å; K156-A240 PolarHBondContact NZ-O 2.86Å; Q160-A240 HydrophobicContact CB-CB 4.05Å; S238-A240 PolarHBondContact O-N 3.23Å; S238-A240 VanDerWaalsContact O-N 3.14Å; S238-A240 VanDerWaalsContact OG-CB 3.31Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 3.12Å |
| 241 | L | 64.7 | Low | 74.3 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -100.9 | 142.7 | -176.7 | -63.1 | 178.8 | 0 | 0 | 0 | 110.5 | R133 V136 C137 S238 P239 N243 T244 | R133-L241 HydrophobicContact CB-CD1 4.23Å; R133-L241 HydrophobicContact CG-CD1 4.15Å; V136-L241 HydrophobicContact CG2-CD1 4.21Å; C137-L241 WeakPolarHBondContact SG-CD2 3.28Å; S238-L241 PolarHBondContact O-N 3.01Å; S238-L241 VanDerWaalsContact O-N 3.14Å; P239-L241 PolarHBondContact O-N 3.16Å; L241-N243 PolarHBondContact O-N 3.06Å; L241-T244 VanDerWaalsContact O-CA 3.29Å; L241-T244 WeakPolarHBondContact O-CA 3.16Å; L241-T244 PolarHBondContact O-N 3.31Å |
| 242 | P | 58.6 | Low | 73.7 | Confident | 47 Ų | 47 | 30.9 Ų | 30.9 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -55.9 | 140.1 | 171.6 | 24.7 | -33.4 | 0 | 0 | 0 | 109.9 | L143 T244 G245 Y246 | L143-P242 HydrophobicContact CD1-CG 3.61Å; P242-T244 PolarHBondContact O-N 3.41Å; P242-T244 VanDerWaalsContact O-N 3.08Å; P242-G245 PolarHBondContact O-N 3.34Å; P242-Y246 HydrophobicContact CG-CE2 4.02Å |
| 243 | N | 61.8 | Low | 73.4 | Confident | 102 Ų | 102 | 32.7 Ų | 32.7 | 55% | 0.545 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | 51.8 | 27.8 | -171.8 | -65.6 | -31.2 | 0 | 0 | 0 | 114.4 | L241 G245 Y246 K250 | L241-N243 PolarHBondContact O-N 3.06Å; N243-G245 PolarHBondContact O-N 2.85Å; N243-Y246 HydrophobicContact CB-CD1 4.42Å; N243-Y246 HydrophobicContact CB-CE1 4.47Å; N243-Y246 PolarHBondContact O-N 3.48Å; N243-K250 WeakPolarHBondContact O-CE 3.33Å; N243-K250 PolarHBondContact O-NZ 2.97Å |
| 244 | T | 59 | Low | 73.4 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | 52.7 | 33.9 | -177.1 | 68.7 | 0 | 0 | 0 | 0 | 115 | S238 L241 P242 K250 | S238-T244 PolarHBondContact N-O 2.96Å; S238-T244 CarbonylContact O-C 3.4Å; S238-T244 WeakPolarHBondContact O-CA 3.34Å; L241-T244 VanDerWaalsContact O-CA 3.29Å; L241-T244 WeakPolarHBondContact O-CA 3.16Å; L241-T244 PolarHBondContact O-N 3.31Å; P242-T244 PolarHBondContact O-N 3.41Å; P242-T244 VanDerWaalsContact O-N 3.08Å; T244-K250 HydrophobicContact CG2-CD 4.41Å; T244-K250 WeakPolarHBondContact OG1-CD 3.47Å; T244-K250 WeakPolarHBondContact OG1-CE 3.34Å; T244-K250 WeakPolarHBondContact OG1-CG 3.38Å |
| 245 | G | 62.1 | Low | 73.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | 14.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P242 N243 T247 | P242-G245 PolarHBondContact O-N 3.34Å; N243-G245 PolarHBondContact O-N 2.85Å; G245-T247 PolarHBondContact O-N 3.25Å |
| 246 | Y | 65.2 | Low | 73.4 | Confident | 68 Ų | 68 | 46.2 Ų | 46.2 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 53 | 22.2 | -176.1 | -61.3 | -93.6 | 0 | 0 | 0 | 113.3 | M43 P138 P242 N243 | M43-Y246 WeakPolarHBondContact CA-O 3.34Å; P138-Y246 HydrophobicContact CG-CD2 4.09Å; P138-Y246 HydrophobicContact CG-CE1 4.28Å; P138-Y246 HydrophobicContact CG-CE2 3.46Å; P138-Y246 VanDerWaalsContact CG-CE2 3.46Å; P242-Y246 HydrophobicContact CG-CE2 4.02Å; N243-Y246 HydrophobicContact CB-CD1 4.42Å; N243-Y246 HydrophobicContact CB-CE1 4.47Å; N243-Y246 PolarHBondContact O-N 3.48Å |
| 247 | T | 73.1 | Confident | 73.4 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | trans | -81.8 | 141.1 | 177.4 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | S41 A236 G245 V249 | S41-T247 WeakPolarHBondContact O-CG2 3.32Å; A236-T247 HydrophobicContact CB-CG2 3.36Å; G245-T247 PolarHBondContact O-N 3.25Å; T247-V249 PolarHBondContact O-N 2.99Å; T247-V249 PolarHBondContact OG1-O 3.12Å; T247-V249 VanDerWaalsContact OG1-O 3.07Å | ||
| 248 | D | 67.6 | Low | 73.9 | Confident | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -60.8 | -31 | 172.2 | -173.2 | 44.5 | 0 | 0 | 0 | 112.1 | G42 R47 I264 N265 | G42-D248 PolarHBondContact O-N 3.49Å; R47-D248 IonicContact CZ-OD2 3.47Å; R47-D248 IonicContact NH1-OD1 3.91Å; R47-D248 PolarHBondContact NH1-OD1 3.39Å; R47-D248 VanDerWaalsContact NH1-OD1 3.14Å; R47-D248 IonicContact NH1-OD2 3.18Å; R47-D248 PolarHBondContact NH1-OD2 3.38Å; D248-I264 WeakPolarHBondContact OD1-CG2 2.9Å; D248-I264 WeakPolarHBondContact OD2-CG2 3.49Å; D248-N265 PolarHBondContact OD2-ND2 3.46Å |
| 249 | V | 71.7 | Confident | 74.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -119.7 | 112.6 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | K233 S237 T247 T251 A257 R260 I264 | K233-V249 HydrophobicContact CD-CB 4.33Å; K233-V249 HydrophobicContact CD-CG2 4.23Å; S237-V249 PolarHBondContact OG-O 3.09Å; T247-V249 PolarHBondContact O-N 2.99Å; T247-V249 PolarHBondContact OG1-O 3.12Å; T247-V249 VanDerWaalsContact OG1-O 3.07Å; V249-T251 HydrophobicContact CG1-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.48Å; V249-A257 HydrophobicContact CG1-CB 4.39Å; V249-R260 HydrophobicContact CB-CB 4.48Å; V249-R260 HydrophobicContact CG1-CB 3.65Å; V249-R260 HydrophobicContact CG1-CG 4.41Å; V249-R260 HydrophobicContact CG2-CB 4.01Å; V249-I264 HydrophobicContact CG2-CD1 4.2Å |
| 250 | K | 77.3 | Confident | 75.8 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 46% | 0.457 | 27% | 0.273 | S | S | . | . | trans | -98.2 | 70.3 | -176.2 | -53.4 | -179.1 | 165.1 | -174.1 | 0 | 110.9 | N243 T244 | N243-K250 WeakPolarHBondContact O-CE 3.33Å; N243-K250 PolarHBondContact O-NZ 2.97Å; T244-K250 HydrophobicContact CG2-CD 4.41Å; T244-K250 WeakPolarHBondContact OG1-CD 3.47Å; T244-K250 WeakPolarHBondContact OG1-CE 3.34Å; T244-K250 WeakPolarHBondContact OG1-CG 3.38Å | ||
| 251 | T | 78.7 | Confident | 77.1 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | trans | -142.4 | 149.3 | -176.4 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | S237 V249 E256 A257 R260 | S237-T251 WeakPolarHBondContact CB-O 3.45Å; S237-T251 PolarHBondContact OG-O 3.49Å; V249-T251 HydrophobicContact CG1-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.48Å; T251-E256 HydrophobicContact CG2-CB 4.21Å; T251-E256 HydrophobicContact CG2-CG 3.77Å; T251-E256 WeakPolarHBondContact CG2-OE2 3.35Å; T251-A257 WeakPolarHBondContact OG1-CA 3.46Å; T251-A257 PolarHBondContact OG1-N 3.07Å; T251-R260 VanDerWaalsContact CG2-CZ 3.42Å | ||
| 252 | V | 78.7 | Confident | 78.3 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -94.5 | -28.4 | 173.6 | -175 | 0 | 0 | 0 | 0 | 111 | R168 V234 | R168-V252 HydrophobicContact CG-CG1 4.26Å; V234-V252 WeakPolarHBondContact CG1-O 3.47Å |
| 253 | S | 86.3 | Confident | 79.8 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | trans | -75.8 | 131.1 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | E256 A257 | S253-E256 PolarHBondContact O-N 3.01Å; S253-A257 WeakPolarHBondContact O-CB 3.07Å; S253-A257 PolarHBondContact O-N 3.4Å | ||
| 254 | V | 89.1 | Confident | 80.9 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 111 | P172 I230 E256 A257 I258 | P172-V254 HydrophobicContact CG-CG2 4.24Å; I230-V254 HydrophobicContact CG2-CG1 3.85Å; V254-E256 VanDerWaalsContact C-N 3.35Å; V254-E256 PolarHBondContact O-N 3.11Å; V254-A257 WeakPolarHBondContact O-CB 3.34Å; V254-A257 PolarHBondContact O-N 3.24Å; V254-I258 HydrophobicContact CG1-CD1 4.13Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.15Å; V254-I258 PolarHBondContact O-N 2.92Å |
| 255 | F | 90.4 | Very high | 82.1 | Confident | 172 Ų | 172 | 63.9 Ų | 63.9 | 75% | 0.754 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 179.3 | -66.7 | -73.3 | 0 | 0 | 0 | 111.9 | A257 I258 A259 | F255-A257 VanDerWaalsContact C-N 3.32Å; F255-I258 WeakPolarHBondContact O-CB 3.39Å; F255-I258 PolarHBondContact O-N 3.4Å; F255-A259 PolarHBondContact O-N 3.01Å |
| 256 | E | 88.3 | Confident | 83.4 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 175.6 | -159.5 | -174.3 | 177.3 | 0 | 0 | 111.4 | T251 S253 V254 I258 A259 R260 | T251-E256 HydrophobicContact CG2-CB 4.21Å; T251-E256 HydrophobicContact CG2-CG 3.77Å; T251-E256 WeakPolarHBondContact CG2-OE2 3.35Å; S253-E256 PolarHBondContact O-N 3.01Å; V254-E256 VanDerWaalsContact C-N 3.35Å; V254-E256 PolarHBondContact O-N 3.11Å; E256-I258 VanDerWaalsContact C-N 3.31Å; E256-I258 PolarHBondContact O-N 2.77Å; E256-A259 PolarHBondContact O-N 3.34Å; E256-R260 HydrophobicContact CG-CG 4.39Å; E256-R260 WeakPolarHBondContact O-CB 3.49Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 2.89Å; E256-R260 IonicContact OE1-CZ 3.43Å; E256-R260 IonicContact OE1-NE 3.96Å; E256-R260 PolarHBondContact OE1-NE 3.21Å; E256-R260 IonicContact OE1-NH2 3.49Å; E256-R260 PolarHBondContact OE1-NH2 3.26Å |
| 257 | A | 87.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I230 V234 V249 T251 S253 V254 F255 T261 | I230-A257 HydrophobicContact CG2-CB 4.22Å; V234-A257 HydrophobicContact CG2-CB 3.77Å; V249-A257 HydrophobicContact CG1-CB 4.39Å; T251-A257 WeakPolarHBondContact OG1-CA 3.46Å; T251-A257 PolarHBondContact OG1-N 3.07Å; S253-A257 WeakPolarHBondContact O-CB 3.07Å; S253-A257 PolarHBondContact O-N 3.4Å; V254-A257 WeakPolarHBondContact O-CB 3.34Å; V254-A257 PolarHBondContact O-N 3.24Å; F255-A257 VanDerWaalsContact C-N 3.32Å; A257-T261 WeakPolarHBondContact O-CB 3.34Å; A257-T261 PolarHBondContact O-N 3.46Å; A257-T261 PolarHBondContact O-OG1 3.03Å |
| 258 | I | 91.4 | Very high | 85 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 32% | 0.323 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -54.4 | 173.9 | -68.2 | 163.1 | 0 | 0 | 0 | 110.3 | I230 V254 F255 E256 R260 T261 Y262 F270 | I230-I258 HydrophobicContact CD1-CD1 4.02Å; I230-I258 HydrophobicContact CD1-CG1 3.47Å; I230-I258 VanDerWaalsContact CD1-CG1 3.47Å; I230-I258 HydrophobicContact CG1-CG1 3.96Å; I230-I258 HydrophobicContact CG2-CG1 4.28Å; V254-I258 HydrophobicContact CG1-CD1 4.13Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.15Å; V254-I258 PolarHBondContact O-N 2.92Å; F255-I258 WeakPolarHBondContact O-CB 3.39Å; F255-I258 PolarHBondContact O-N 3.4Å; E256-I258 VanDerWaalsContact C-N 3.31Å; E256-I258 PolarHBondContact O-N 2.77Å; I258-R260 PolarHBondContact O-N 3.01Å; I258-T261 PolarHBondContact O-N 3.07Å; I258-Y262 PolarHBondContact O-N 2.71Å; I258-F270 HydrophobicContact CG2-CE1 4.45Å; I258-F270 HydrophobicContact CG2-CZ 4.19Å |
| 259 | A | 92 | Very high | 85.8 | Confident | 59 Ų | 59 | 76 Ų | 76 | 49% | 0.488 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F255 E256 Y262 R263 | F255-A259 PolarHBondContact O-N 3.01Å; E256-A259 PolarHBondContact O-N 3.34Å; A259-Y262 PolarHBondContact O-N 2.91Å; A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 3.41Å |
| 260 | R | 88.2 | Confident | 86.6 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 39% | 0.389 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.2 | -36.9 | 176.9 | -70.8 | -174.9 | -175.2 | -162 | 3.7 | 112.3 | V249 T251 E256 I258 Y262 R263 I264 | V249-R260 HydrophobicContact CB-CB 4.48Å; V249-R260 HydrophobicContact CG1-CB 3.65Å; V249-R260 HydrophobicContact CG1-CG 4.41Å; V249-R260 HydrophobicContact CG2-CB 4.01Å; T251-R260 VanDerWaalsContact CG2-CZ 3.42Å; E256-R260 HydrophobicContact CG-CG 4.39Å; E256-R260 WeakPolarHBondContact O-CB 3.49Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 2.89Å; E256-R260 IonicContact OE1-CZ 3.43Å; E256-R260 IonicContact OE1-NE 3.96Å; E256-R260 PolarHBondContact OE1-NE 3.21Å; E256-R260 IonicContact OE1-NH2 3.49Å; E256-R260 PolarHBondContact OE1-NH2 3.26Å; I258-R260 PolarHBondContact O-N 3.01Å; R260-Y262 VanDerWaalsContact C-N 3.31Å; R260-Y262 PolarHBondContact O-N 3.16Å; R260-R263 PolarHBondContact O-N 2.93Å; R260-I264 WeakPolarHBondContact O-CB 3.43Å; R260-I264 VanDerWaalsContact O-CG1 3.32Å; R260-I264 WeakPolarHBondContact O-CG1 3.4Å; R260-I264 PolarHBondContact O-N 2.82Å |
| 261 | T | 87.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.6 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | K233 A257 I258 N265 F270 | K233-T261 WeakPolarHBondContact CD-OG1 3.47Å; K233-T261 PolarHBondContact NZ-OG1 2.96Å; A257-T261 WeakPolarHBondContact O-CB 3.34Å; A257-T261 PolarHBondContact O-N 3.46Å; A257-T261 PolarHBondContact O-OG1 3.03Å; I258-T261 PolarHBondContact O-N 3.07Å; T261-N265 WeakPolarHBondContact O-CB 3.23Å; T261-N265 PolarHBondContact O-N 3.33Å; T261-F270 HydrophobicContact CG2-CD1 4.11Å; T261-F270 HydrophobicContact CG2-CD2 4.39Å; T261-F270 HydrophobicContact CG2-CE1 3.81Å; T261-F270 HydrophobicContact CG2-CE2 4.11Å; T261-F270 HydrophobicContact CG2-CG 4.39Å; T261-F270 HydrophobicContact CG2-CZ 3.81Å |
| 262 | Y | 90 | Very high | 87.6 | Confident | 148 Ų | 148 | 76.6 Ų | 76.6 | 58% | 0.58 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 176.3 | -175.7 | -104.5 | 0 | 0 | 0 | 111.7 | I258 A259 R260 I264 G266 F270 | I258-Y262 PolarHBondContact O-N 2.71Å; A259-Y262 PolarHBondContact O-N 2.91Å; R260-Y262 VanDerWaalsContact C-N 3.31Å; R260-Y262 PolarHBondContact O-N 3.16Å; Y262-I264 PolarHBondContact O-N 3.44Å; Y262-G266 WeakPolarHBondContact O-CA 3.5Å; Y262-G266 PolarHBondContact O-N 3.48Å; Y262-F270 HydrophobicContact CD2-CE2 4.27Å |
| 263 | R | 89.3 | Confident | 88 | Confident | 225 Ų | 225 | 73.3 Ų | 73.3 | 85% | 0.849 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.8 | -38.4 | 179.7 | -169.9 | 174.5 | -179.2 | 164 | 0.6 | 113.7 | A259 R260 | A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 3.41Å; R260-R263 PolarHBondContact O-N 2.93Å |
| 264 | I | 86.1 | Confident | 88.1 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -89.9 | -39.9 | -173.4 | -62.2 | 167.8 | 0 | 0 | 0 | 112.8 | R47 D248 V249 R260 Y262 | R47-I264 PolarHBondContact NH2-O 3.11Å; D248-I264 WeakPolarHBondContact OD1-CG2 2.9Å; D248-I264 WeakPolarHBondContact OD2-CG2 3.49Å; V249-I264 HydrophobicContact CG2-CD1 4.2Å; R260-I264 WeakPolarHBondContact O-CB 3.43Å; R260-I264 VanDerWaalsContact O-CG1 3.32Å; R260-I264 WeakPolarHBondContact O-CG1 3.4Å; R260-I264 PolarHBondContact O-N 2.82Å; Y262-I264 PolarHBondContact O-N 3.44Å |
| 265 | N | 83.8 | Confident | 88.2 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.112 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -109.4 | -10.6 | -174.7 | -61.4 | -88.9 | 0 | 0 | 0 | 113.4 | R47 K233 D248 T261 H272 | R47-N265 WeakPolarHBondContact CD-OD1 3.45Å; R47-N265 PolarHBondContact NE-OD1 2.96Å; R47-N265 PolarHBondContact NH1-OD1 3.42Å; R47-N265 PolarHBondContact NH2-OD1 2.79Å; K233-N265 PolarHBondContact NZ-ND2 3.32Å; D248-N265 PolarHBondContact OD2-ND2 3.46Å; T261-N265 WeakPolarHBondContact O-CB 3.23Å; T261-N265 PolarHBondContact O-N 3.33Å; N265-H272 PolarHBondContact OD1-CE1 3.4Å; N265-H272 VanDerWaalsContact OD1-CE1 3.29Å |
| 266 | G | 88.6 | Confident | 88.2 | Confident | 26 Ų | 26 | 66.5 Ų | 66.5 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -161 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y262 R268 G269 | Y262-G266 WeakPolarHBondContact O-CA 3.5Å; Y262-G266 PolarHBondContact O-N 3.48Å; G266-R268 VanDerWaalsContact C-N 3.31Å; G266-R268 PolarHBondContact O-N 3.01Å; G266-G269 PolarHBondContact O-N 3.08Å |
| 267 | F | 86.9 | Confident | 88.2 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 61% | 0.61 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -64.4 | -32.9 | -179.4 | -172.1 | -105.8 | 0 | 0 | 0 | 113.3 | G269 F270 F271 | F267-G269 PolarHBondContact O-N 3.36Å; F267-F270 PolarHBondContact O-N 2.63Å; F267-F271 HydrophobicContact CD1-CE2 4.32Å; F267-F271 HydrophobicContact CE1-CD2 4.31Å; F267-F271 AromaticContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE2-CE2 4.47Å; F267-F271 AromaticContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CZ 4.42Å |
| 268 | R | 86.5 | Confident | 88.4 | Confident | 210 Ų | 210 | 65.6 Ų | 65.6 | 79% | 0.792 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -63 | -26.4 | 179.5 | -61.5 | 178.6 | 89.7 | 104.3 | -3.8 | 112.4 | G266 F270 F271 H272 | G266-R268 VanDerWaalsContact C-N 3.31Å; G266-R268 PolarHBondContact O-N 3.01Å; R268-F270 PolarHBondContact O-N 2.76Å; R268-F271 PolarHBondContact O-N 3.21Å; R268-H272 PolarHBondContact O-CD2 2.98Å |
| 269 | G | 84.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -58.8 | -31.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | G266 F267 F271 H272 | G266-G269 PolarHBondContact O-N 3.08Å; F267-G269 PolarHBondContact O-N 3.36Å; G269-F271 PolarHBondContact O-N 3.24Å; G269-H272 PolarHBondContact O-N 3.31Å |
| 270 | F | 88.5 | Confident | 88.1 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -73.7 | -12.7 | 178.2 | -65.9 | -77.8 | 0 | 0 | 0 | 113.3 | P226 V229 I230 I258 T261 Y262 F267 R268 | P226-F270 HydrophobicContact CB-CB 4.08Å; P226-F270 HydrophobicContact CB-CD1 4.34Å; P226-F270 HydrophobicContact CG-CB 4.45Å; V229-F270 VanDerWaalsContact CG2-O 3.29Å; V229-F270 WeakPolarHBondContact CG2-O 3.33Å; I230-F270 HydrophobicContact CD1-CD1 4.32Å; I230-F270 HydrophobicContact CD1-CE1 4.05Å; I230-F270 HydrophobicContact CG1-CD1 4.32Å; I230-F270 HydrophobicContact CG1-CE1 4.08Å; I258-F270 HydrophobicContact CG2-CE1 4.45Å; I258-F270 HydrophobicContact CG2-CZ 4.19Å; T261-F270 HydrophobicContact CG2-CD1 4.11Å; T261-F270 HydrophobicContact CG2-CD2 4.39Å; T261-F270 HydrophobicContact CG2-CE1 3.81Å; T261-F270 HydrophobicContact CG2-CE2 4.11Å; T261-F270 HydrophobicContact CG2-CG 4.39Å; T261-F270 HydrophobicContact CG2-CZ 3.81Å; Y262-F270 HydrophobicContact CD2-CE2 4.27Å; F267-F270 PolarHBondContact O-N 2.63Å; R268-F270 PolarHBondContact O-N 2.76Å |
| 271 | F | 89.1 | Confident | 88.1 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 31% | 0.311 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -109.7 | 8.8 | 179.5 | -67.8 | -85.7 | 0 | 0 | 0 | 113.1 | Q225 P226 F267 R268 G269 G273 S274 | Q225-F271 HydrophobicContact CB-CD1 4.39Å; Q225-F271 HydrophobicContact CG-CD1 4.4Å; P226-F271 HydrophobicContact CG-CE1 4.45Å; P226-F271 HydrophobicContact CG-CZ 4.18Å; F267-F271 HydrophobicContact CD1-CE2 4.32Å; F267-F271 HydrophobicContact CE1-CD2 4.31Å; F267-F271 AromaticContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE2-CE2 4.47Å; F267-F271 AromaticContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CZ 4.42Å; R268-F271 PolarHBondContact O-N 3.21Å; G269-F271 PolarHBondContact O-N 3.24Å; F271-G273 PolarHBondContact O-N 3.15Å; F271-S274 WeakPolarHBondContact O-CB 3.35Å; F271-S274 PolarHBondContact O-N 2.67Å; F271-S274 PolarHBondContact O-OG 2.83Å |
| 272 | H | 87 | Confident | 88.1 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 136.5 | 173 | -71.3 | 173.3 | 0 | 0 | 0 | 110.8 | S39 Q40 R47 Q225 N265 R268 G269 | S39-H272 WeakPolarHBondContact O-CB 3.11Å; Q40-H272 WeakPolarHBondContact CG-O 3.48Å; R47-H272 VanDerWaalsContact CG-CE1 3.41Å; R47-H272 WeakPolarHBondContact CG-CE1 3.48Å; Q225-H272 PolarHBondContact NE2-O 3.37Å; N265-H272 PolarHBondContact OD1-CE1 3.4Å; N265-H272 VanDerWaalsContact OD1-CE1 3.29Å; R268-H272 PolarHBondContact O-CD2 2.98Å; G269-H272 PolarHBondContact O-N 3.31Å |
| 273 | G | 87.4 | Confident | 88 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 9.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S39 Q225 F271 A276 N277 | S39-G273 WeakPolarHBondContact OG-CA 3.46Å; S39-G273 PolarHBondContact OG-N 3.36Å; Q225-G273 PolarHBondContact NE2-O 3.36Å; F271-G273 PolarHBondContact O-N 3.15Å; G273-A276 PolarHBondContact O-N 3.15Å; G273-N277 WeakPolarHBondContact O-CB 3.3Å; G273-N277 PolarHBondContact O-N 3.02Å |
| 274 | S | 88.5 | Confident | 87.7 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 112 | F271 A276 N277 V278 | F271-S274 WeakPolarHBondContact O-CB 3.35Å; F271-S274 PolarHBondContact O-N 2.67Å; F271-S274 PolarHBondContact O-OG 2.83Å; S274-A276 PolarHBondContact O-N 2.72Å; S274-N277 WeakPolarHBondContact O-CA 3.39Å; S274-N277 WeakPolarHBondContact O-CB 3.35Å; S274-N277 PolarHBondContact O-N 2.71Å; S274-V278 WeakPolarHBondContact O-CG2 3.31Å; S274-V278 PolarHBondContact O-N 3.33Å |
| 275 | V | 90.8 | Very high | 87.7 | Confident | 85 Ų | 85 | 47 Ų | 47 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.7 | -49 | 177 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | N277 V278 C279 | V275-N277 PolarHBondContact O-N 2.76Å; V275-V278 PolarHBondContact O-N 3.41Å; V275-C279 PolarHBondContact O-N 3.25Å; V275-C279 PolarHBondContact O-SG 2.98Å; V275-C279 VanDerWaalsContact O-SG 3.34Å |
| 276 | A | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -33.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L35 K36 T50 G273 S274 K280 | L35-A276 HydrophobicContact CB-CB 4Å; K36-A276 HydrophobicContact CB-CB 4.06Å; T50-A276 HydrophobicContact CG2-CB 3.88Å; T50-A276 PolarHBondContact OG1-N 3.33Å; G273-A276 PolarHBondContact O-N 3.15Å; S274-A276 PolarHBondContact O-N 2.72Å; A276-K280 WeakPolarHBondContact O-CB 3.48Å; A276-K280 PolarHBondContact O-N 3.42Å |
| 277 | N | 89.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.8 | -41.6 | 177.6 | -157.6 | 21.2 | 0 | 0 | 0 | 111.9 | K36 A221 Q225 G273 S274 V275 K280 S281 | K36-N277 HydrophobicContact CD-CB 4.1Å; K36-N277 WeakPolarHBondContact CD-OD1 3.44Å; K36-N277 WeakPolarHBondContact CE-OD1 3.39Å; K36-N277 HydrophobicContact CG-CB 4.45Å; K36-N277 VanDerWaalsContact NZ-CG 3.32Å; K36-N277 PolarHBondContact NZ-ND2 3.12Å; K36-N277 PolarHBondContact NZ-OD1 2.9Å; A221-N277 VanDerWaalsContact CB-ND2 3.26Å; A221-N277 WeakPolarHBondContact CB-ND2 3.18Å; A221-N277 PolarHBondContact O-ND2 3.32Å; Q225-N277 PolarHBondContact OE1-ND2 3.05Å; G273-N277 WeakPolarHBondContact O-CB 3.3Å; G273-N277 PolarHBondContact O-N 3.02Å; S274-N277 WeakPolarHBondContact O-CA 3.39Å; S274-N277 WeakPolarHBondContact O-CB 3.35Å; S274-N277 PolarHBondContact O-N 2.71Å; V275-N277 PolarHBondContact O-N 2.76Å; N277-K280 WeakPolarHBondContact O-CB 3.21Å; N277-K280 PolarHBondContact O-N 3.26Å; N277-S281 PolarHBondContact O-N 3.45Å |
| 278 | V | 91 | Very high | 87.2 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 174.1 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | I222 S274 V275 K280 S281 | I222-V278 HydrophobicContact CD1-CG2 4.28Å; I222-V278 HydrophobicContact CG1-CG2 4.42Å; S274-V278 WeakPolarHBondContact O-CG2 3.31Å; S274-V278 PolarHBondContact O-N 3.33Å; V275-V278 PolarHBondContact O-N 3.41Å; V278-K280 PolarHBondContact O-N 3.21Å; V278-S281 WeakPolarHBondContact O-CB 3.45Å; V278-S281 PolarHBondContact O-N 2.92Å; V278-S281 PolarHBondContact O-OG 3.42Å |
| 279 | C | 90.4 | Very high | 86.9 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 34% | 0.338 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.9 | -33.2 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | F32 V275 S281 P283 | F32-C279 HydrophobicContact CD1-CB 3.6Å; F32-C279 HydrophobicContact CE1-CB 3.74Å; F32-C279 HydrophobicContact CG-CB 4.23Å; F32-C279 HydrophobicContact CZ-CB 4.47Å; V275-C279 PolarHBondContact O-N 3.25Å; V275-C279 PolarHBondContact O-SG 2.98Å; V275-C279 VanDerWaalsContact O-SG 3.34Å; C279-S281 VanDerWaalsContact C-N 3.3Å; C279-S281 PolarHBondContact O-N 3.04Å; C279-P283 WeakPolarHBondContact O-CD 3.05Å |
| 280 | K | 87.9 | Confident | 86.5 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -32.5 | 174.3 | -176.6 | -165.7 | 164.9 | -157.9 | 0 | 112.5 | A29 F32 K36 A276 N277 V278 V282 Q284 | A29-K280 HydrophobicContact CB-CG 4.19Å; F32-K280 HydrophobicContact CB-CB 3.77Å; F32-K280 HydrophobicContact CB-CG 4.34Å; K36-K280 HydrophobicContact CD-CD 4.43Å; A276-K280 WeakPolarHBondContact O-CB 3.48Å; A276-K280 PolarHBondContact O-N 3.42Å; N277-K280 WeakPolarHBondContact O-CB 3.21Å; N277-K280 PolarHBondContact O-N 3.26Å; V278-K280 PolarHBondContact O-N 3.21Å; K280-V282 VanDerWaalsContact C-N 3.29Å; K280-V282 PolarHBondContact O-N 3.15Å; K280-Q284 WeakPolarHBondContact O-CB 3.24Å; K280-Q284 PolarHBondContact O-N 3.02Å |
| 281 | S | 86.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -35.8 | -178.8 | 76.3 | 0 | 0 | 0 | 0 | 112.2 | S218 N277 V278 C279 Q284 V285 | S218-S281 PolarHBondContact OG-OG 3.46Å; S218-S281 VanDerWaalsContact OG-OG 3.06Å; N277-S281 PolarHBondContact O-N 3.45Å; V278-S281 WeakPolarHBondContact O-CB 3.45Å; V278-S281 PolarHBondContact O-N 2.92Å; V278-S281 PolarHBondContact O-OG 3.42Å; C279-S281 VanDerWaalsContact C-N 3.3Å; C279-S281 PolarHBondContact O-N 3.04Å; S281-Q284 PolarHBondContact O-N 2.73Å; S281-V285 WeakPolarHBondContact O-CB 3.27Å; S281-V285 VanDerWaalsContact O-CG2 3.26Å; S281-V285 WeakPolarHBondContact O-CG2 3.37Å; S281-V285 PolarHBondContact O-N 3.41Å |
| 282 | V | 88.5 | Confident | 84.6 | Confident | 59 Ų | 59 | 49 Ų | 49 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -57.6 | -175.5 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | Y210 V214 K280 Q284 V285 T286 | Y210-V282 WeakPolarHBondContact OH-CG1 3.31Å; V214-V282 HydrophobicContact CG1-CG2 3.84Å; K280-V282 VanDerWaalsContact C-N 3.29Å; K280-V282 PolarHBondContact O-N 3.15Å; V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 3.39Å; V282-V285 PolarHBondContact O-N 2.73Å; V282-T286 WeakPolarHBondContact O-CB 3.16Å; V282-T286 PolarHBondContact O-N 3.08Å; V282-T286 PolarHBondContact O-OG1 3.33Å |
| 283 | P | 87 | Confident | 83.7 | Confident | 26 Ų | 26 | 50 Ų | 50 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 176.6 | -22.4 | 32.5 | 0 | 0 | 0 | 113.1 | F28 A29 F32 C279 T286 V287 | F28-P283 HydrophobicContact CB-CB 4.34Å; A29-P283 HydrophobicContact CB-CB 4.2Å; F32-P283 HydrophobicContact CD2-CG 4.28Å; F32-P283 HydrophobicContact CE2-CG 4.19Å; C279-P283 WeakPolarHBondContact O-CD 3.05Å; P283-T286 PolarHBondContact O-N 2.74Å; P283-V287 WeakPolarHBondContact O-CG2 2.98Å; P283-V287 PolarHBondContact O-N 3.15Å |
| 284 | Q | 84.3 | Confident | 82.6 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | -179.9 | -178.8 | 174.7 | -7.4 | 0 | 0 | 111.4 | K280 S281 V282 F288 | K280-Q284 WeakPolarHBondContact O-CB 3.24Å; K280-Q284 PolarHBondContact O-N 3.02Å; S281-Q284 PolarHBondContact O-N 2.73Å; V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 3.39Å; Q284-F288 PolarHBondContact O-N 3.08Å |
| 285 | V | 86.3 | Confident | 81.2 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | Y210 S213 V214 V217 S281 V282 V287 F288 W289 | Y210-V285 HydrophobicContact CD2-CG1 3.89Å; Y210-V285 HydrophobicContact CE2-CB 4.47Å; Y210-V285 HydrophobicContact CE2-CG1 3.83Å; S213-V285 WeakPolarHBondContact OG-CG1 3.37Å; V214-V285 HydrophobicContact CG2-CB 4.07Å; V214-V285 HydrophobicContact CG2-CG1 3.77Å; V214-V285 HydrophobicContact CG2-CG2 4.48Å; V217-V285 HydrophobicContact CB-CG2 4.17Å; V217-V285 HydrophobicContact CG1-CG2 4.46Å; V217-V285 HydrophobicContact CG2-CG2 3.83Å; S281-V285 WeakPolarHBondContact O-CB 3.27Å; S281-V285 VanDerWaalsContact O-CG2 3.26Å; S281-V285 WeakPolarHBondContact O-CG2 3.37Å; S281-V285 PolarHBondContact O-N 3.41Å; V282-V285 PolarHBondContact O-N 2.73Å; V285-V287 PolarHBondContact O-N 3.49Å; V285-F288 PolarHBondContact O-N 3.47Å; V285-W289 VanDerWaalsContact CG1-CD1 3.4Å; V285-W289 WeakPolarHBondContact O-CB 3.09Å; V285-W289 VanDerWaalsContact O-CD1 3.27Å; V285-W289 PolarHBondContact O-N 3.18Å |
| 286 | T | 86.9 | Confident | 79.8 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.3 | -46.9 | -179.7 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | Y210 V282 P283 W289 I290 | Y210-T286 WeakPolarHBondContact CE2-OG1 3.33Å; Y210-T286 PolarHBondContact OH-OG1 2.74Å; V282-T286 WeakPolarHBondContact O-CB 3.16Å; V282-T286 PolarHBondContact O-N 3.08Å; V282-T286 PolarHBondContact O-OG1 3.33Å; P283-T286 PolarHBondContact O-N 2.74Å; T286-W289 PolarHBondContact O-N 3.15Å; T286-I290 HydrophobicContact CG2-CD1 3.81Å; T286-I290 HydrophobicContact CG2-CG1 4.36Å; T286-I290 VanDerWaalsContact O-CG1 3.31Å; T286-I290 WeakPolarHBondContact O-CG1 3.23Å; T286-I290 PolarHBondContact O-N 3.32Å |
| 287 | V | 82.7 | Confident | 78.4 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | T21 F28 P283 V285 W289 I290 M291 | T21-V287 HydrophobicContact CG2-CG1 3.97Å; F28-V287 HydrophobicContact CD2-CG2 4.46Å; P283-V287 WeakPolarHBondContact O-CG2 2.98Å; P283-V287 PolarHBondContact O-N 3.15Å; V285-V287 PolarHBondContact O-N 3.49Å; V287-W289 VanDerWaalsContact C-N 3.32Å; V287-W289 PolarHBondContact O-N 3.4Å; V287-I290 PolarHBondContact O-N 3.48Å; V287-M291 WeakPolarHBondContact O-CB 3.23Å; V287-M291 PolarHBondContact O-N 3.49Å |
| 288 | F | 77.7 | Confident | 76.6 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 61% | 0.614 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | 174.1 | -173.6 | -95.2 | 0 | 0 | 0 | 111.6 | Q284 V285 M291 Y292 | Q284-F288 PolarHBondContact O-N 3.08Å; V285-F288 PolarHBondContact O-N 3.47Å; F288-M291 PolarHBondContact O-N 3.11Å; F288-Y292 WeakPolarHBondContact O-CB 3.47Å; F288-Y292 PolarHBondContact O-N 2.85Å |
| 289 | W | 79.8 | Confident | 74.8 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 176.9 | -91.6 | 90.1 | 0 | 0 | 0 | 113.3 | A209 Y210 S213 V285 T286 V287 M291 Y292 N293 | A209-W289 VanDerWaalsContact C-CZ2 3.47Å; A209-W289 HydrophobicContact CB-CH2 3.34Å; A209-W289 HydrophobicContact CB-CZ2 3.62Å; A209-W289 HydrophobicContact CB-CZ3 4.36Å; A209-W289 WeakPolarHBondContact O-CZ2 3.27Å; Y210-W289 HydrophobicContact CD2-CB 4.36Å; Y210-W289 AromaticContact CD2-CD1 3.78Å; Y210-W289 AromaticContact CD2-CG 3.96Å; Y210-W289 HydrophobicContact CD2-CG 3.96Å; S213-W289 PolarHBondContact OG-NE1 3.47Å; V285-W289 VanDerWaalsContact CG1-CD1 3.4Å; V285-W289 WeakPolarHBondContact O-CB 3.09Å; V285-W289 VanDerWaalsContact O-CD1 3.27Å; V285-W289 PolarHBondContact O-N 3.18Å; T286-W289 PolarHBondContact O-N 3.15Å; V287-W289 VanDerWaalsContact C-N 3.32Å; V287-W289 PolarHBondContact O-N 3.4Å; W289-M291 PolarHBondContact O-N 3.29Å; W289-Y292 PolarHBondContact O-N 3.3Å; W289-N293 PolarHBondContact O-N 3Å; W289-N293 VanDerWaalsContact O-N 3.11Å; W289-N293 PolarHBondContact O-ND2 3.49Å |
| 290 | I | 77.7 | Confident | 73.3 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 46% | 0.456 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 177.1 | -71.5 | 169.8 | 0 | 0 | 0 | 109.4 | T286 V287 N293 K294 | T286-I290 HydrophobicContact CG2-CD1 3.81Å; T286-I290 HydrophobicContact CG2-CG1 4.36Å; T286-I290 VanDerWaalsContact O-CG1 3.31Å; T286-I290 WeakPolarHBondContact O-CG1 3.23Å; T286-I290 PolarHBondContact O-N 3.32Å; V287-I290 PolarHBondContact O-N 3.48Å; I290-N293 PolarHBondContact O-N 2.92Å; I290-K294 HydrophobicContact CG2-CB 4.46Å; I290-K294 HydrophobicContact CG2-CD 4.32Å; I290-K294 HydrophobicContact CG2-CG 4.46Å; I290-K294 WeakPolarHBondContact O-CA 3.46Å; I290-K294 VanDerWaalsContact O-CB 3.28Å; I290-K294 WeakPolarHBondContact O-CB 3.15Å; I290-K294 PolarHBondContact O-N 3.41Å |
| 291 | M | 70 | Confident | 71.5 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 22% | 0.222 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.5 | -44.9 | -177.3 | -151.7 | 70.6 | 136.7 | 0 | 0 | 112.7 | L17 T21 V287 F288 W289 N293 L295 | L17-M291 HydrophobicContact CD1-CE 4.05Å; T21-M291 HydrophobicContact CG2-CB 3.5Å; T21-M291 VanDerWaalsContact CG2-CB 3.5Å; T21-M291 HydrophobicContact CG2-CE 3.94Å; T21-M291 HydrophobicContact CG2-CG 3.48Å; T21-M291 VanDerWaalsContact CG2-CG 3.48Å; T21-M291 HydrophobicContact CG2-SD 4.09Å; T21-M291 WeakPolarHBondContact OG1-CE 3.46Å; T21-M291 VanDerWaalsContact OG1-CG 3.28Å; T21-M291 WeakPolarHBondContact OG1-CG 3.19Å; V287-M291 WeakPolarHBondContact O-CB 3.23Å; V287-M291 PolarHBondContact O-N 3.49Å; F288-M291 PolarHBondContact O-N 3.11Å; W289-M291 PolarHBondContact O-N 3.29Å; M291-N293 PolarHBondContact O-N 3.08Å; M291-L295 HydrophobicContact CE-CD1 3.5Å; M291-L295 HydrophobicContact CG-CB 4.1Å; M291-L295 HydrophobicContact CG-CD1 4.19Å; M291-L295 WeakPolarHBondContact O-CB 3.29Å; M291-L295 PolarHBondContact O-N 2.98Å; M291-L295 HydrophobicContact SD-CB 4.03Å; M291-L295 HydrophobicContact SD-CD1 3.26Å; M291-L295 WeakPolarHBondContact SD-CD1 3.45Å; M291-L295 HydrophobicContact SD-CG 4.18Å |
| 292 | Y | 66.9 | Low | 69.8 | Low | 135 Ų | 135 | 74.5 Ų | 74.5 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | -179.1 | -169.1 | -93.1 | 0 | 0 | 0 | 112.2 | K6 F288 W289 | K6-Y292 PolarHBondContact NZ-OH 3.34Å; F288-Y292 WeakPolarHBondContact O-CB 3.47Å; F288-Y292 PolarHBondContact O-N 2.85Å; W289-Y292 PolarHBondContact O-N 3.3Å |
| 293 | N | 68.7 | Low | 67.8 | Low | 57 Ų | 57 | 80.6 Ų | 80.6 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -94.8 | -49.2 | -176.5 | -67.2 | -71.8 | 0 | 0 | 0 | 113.8 | Y206 W289 I290 M291 | Y206-N293 WeakPolarHBondContact CE1-OD1 3.22Å; W289-N293 PolarHBondContact O-N 3Å; W289-N293 VanDerWaalsContact O-N 3.11Å; W289-N293 PolarHBondContact O-ND2 3.49Å; I290-N293 PolarHBondContact O-N 2.92Å; M291-N293 PolarHBondContact O-N 3.08Å |
| 294 | K | 63.8 | Low | 66 | Low | 135 Ų | 135 | 84.8 Ų | 84.8 | 59% | 0.587 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -80.3 | -33.6 | -174.3 | -72.6 | -159.2 | 174 | -170.5 | 0 | 112.9 | I290 S297 L298 | I290-K294 HydrophobicContact CG2-CB 4.46Å; I290-K294 HydrophobicContact CG2-CD 4.32Å; I290-K294 HydrophobicContact CG2-CG 4.46Å; I290-K294 WeakPolarHBondContact O-CA 3.46Å; I290-K294 VanDerWaalsContact O-CB 3.28Å; I290-K294 WeakPolarHBondContact O-CB 3.15Å; I290-K294 PolarHBondContact O-N 3.41Å; K294-S297 PolarHBondContact O-N 3.08Å; K294-S297 VanDerWaalsContact O-N 3.14Å; K294-S297 PolarHBondContact O-OG 3.28Å; K294-L298 HydrophobicContact CB-CD1 4.49Å; K294-L298 WeakPolarHBondContact O-CG 3.31Å; K294-L298 PolarHBondContact O-N 3.14Å |
| 295 | L | 59.3 | Low | 64.3 | Low | 29 Ų | 29 | 83.2 Ų | 83.2 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.1 | -38.3 | -168 | -156.5 | 115.6 | 0 | 0 | 0 | 114.5 | L17 M291 S297 L298 M299 | L17-L295 HydrophobicContact CD1-CD1 3.84Å; L17-L295 HydrophobicContact CD1-CD2 3.21Å; L17-L295 HydrophobicContact CD1-CG 4.14Å; L17-L295 HydrophobicContact CD2-CD2 3.23Å; L17-L295 HydrophobicContact CG-CD2 3.71Å; M291-L295 HydrophobicContact CE-CD1 3.5Å; M291-L295 HydrophobicContact CG-CB 4.1Å; M291-L295 HydrophobicContact CG-CD1 4.19Å; M291-L295 WeakPolarHBondContact O-CB 3.29Å; M291-L295 PolarHBondContact O-N 2.98Å; M291-L295 HydrophobicContact SD-CB 4.03Å; M291-L295 HydrophobicContact SD-CD1 3.26Å; M291-L295 WeakPolarHBondContact SD-CD1 3.45Å; M291-L295 HydrophobicContact SD-CG 4.18Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 2.91Å; L295-L298 PolarHBondContact O-N 3.35Å; L295-M299 HydrophobicContact CD2-CE 4.05Å; L295-M299 HydrophobicContact CD2-CG 4.3Å; L295-M299 HydrophobicContact CD2-SD 4Å; L295-M299 WeakPolarHBondContact O-CG 3.47Å; L295-M299 PolarHBondContact O-N 2.51Å |
| 296 | P | 61.2 | Low | 62.5 | Low | 43 Ų | 43 | 88.3 Ų | 88.3 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.5 | -43.5 | 169.5 | -25.8 | 35.6 | 0 | 0 | 0 | 112.3 | L298 M299 E300 | P296-L298 PolarHBondContact O-N 3.2Å; P296-M299 PolarHBondContact O-N 3.32Å; P296-E300 WeakPolarHBondContact O-CB 3.49Å; P296-E300 PolarHBondContact O-N 2.99Å |
| 297 | S | 59.4 | Low | 60.6 | Low | 65 Ų | 65 | 89.2 Ų | 89.2 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 179.5 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | K294 L295 E300 S301 | K294-S297 PolarHBondContact O-N 3.08Å; K294-S297 VanDerWaalsContact O-N 3.14Å; K294-S297 PolarHBondContact O-OG 3.28Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 2.91Å; S297-E300 PolarHBondContact O-N 3.44Å; S297-S301 WeakPolarHBondContact O-CB 3.18Å; S297-S301 PolarHBondContact O-N 3.14Å |
| 298 | L | 52.1 | Low | 58.6 | Low | 102 Ų | 102 | 94.7 Ų | 94.7 | 53% | 0.534 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.3 | -36.9 | 176.6 | -73.1 | 172.7 | 0 | 0 | 0 | 111.9 | K294 L295 P296 K302 | K294-L298 HydrophobicContact CB-CD1 4.49Å; K294-L298 WeakPolarHBondContact O-CG 3.31Å; K294-L298 PolarHBondContact O-N 3.14Å; L295-L298 PolarHBondContact O-N 3.35Å; P296-L298 PolarHBondContact O-N 3.2Å; L298-K302 PolarHBondContact O-N 2.91Å |
| 299 | M | 53.8 | Low | 56.5 | Low | 58 Ų | 58 | 92.2 Ų | 92.2 | 29% | 0.286 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 175.7 | -69.2 | -168.9 | -58 | 0 | 0 | 111.8 | L9 L295 P296 K302 R303 | L9-M299 HydrophobicContact CD1-CE 3.67Å; L9-M299 HydrophobicContact CD1-SD 3.61Å; L9-M299 HydrophobicContact CD2-SD 4.21Å; L9-M299 HydrophobicContact CG-CE 4.26Å; L9-M299 HydrophobicContact CG-SD 4.22Å; L295-M299 HydrophobicContact CD2-CE 4.05Å; L295-M299 HydrophobicContact CD2-CG 4.3Å; L295-M299 HydrophobicContact CD2-SD 4Å; L295-M299 WeakPolarHBondContact O-CG 3.47Å; L295-M299 PolarHBondContact O-N 2.51Å; P296-M299 PolarHBondContact O-N 3.32Å; M299-K302 PolarHBondContact O-N 3.48Å; M299-R303 WeakPolarHBondContact O-CB 3.22Å; M299-R303 PolarHBondContact O-N 3.12Å |
| 300 | E | 58.3 | Low | 54.3 | Low | 132 Ų | 132 | 94.3 Ų | 94.3 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 175.4 | -163.1 | 162.8 | -155 | 0 | 0 | 111.1 | P296 S297 R303 L304 | P296-E300 WeakPolarHBondContact O-CB 3.49Å; P296-E300 PolarHBondContact O-N 2.99Å; S297-E300 PolarHBondContact O-N 3.44Å; E300-R303 PolarHBondContact O-N 3.21Å; E300-L304 WeakPolarHBondContact O-CG 3.23Å; E300-L304 PolarHBondContact O-N 2.8Å |
| 301 | S | 49.8 | Very low | 52.4 | Low | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 173.8 | 175.5 | 0 | 0 | 0 | 0 | 113.1 | S297 R303 L304 S305 | S297-S301 WeakPolarHBondContact O-CB 3.18Å; S297-S301 PolarHBondContact O-N 3.14Å; S301-R303 VanDerWaalsContact C-N 3.27Å; S301-R303 PolarHBondContact O-N 3.33Å; S301-L304 PolarHBondContact O-N 3.29Å; S301-S305 PolarHBondContact O-N 2.74Å |
| 302 | K | 52 | Low | 50.8 | Low | 150 Ų | 150 | 100.1 Ų | 100.1 | 65% | 0.652 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -32.3 | 176 | -103.8 | -172.6 | 176.2 | -170.5 | 0 | 112.6 | L298 M299 S305 L306 | L298-K302 PolarHBondContact O-N 2.91Å; M299-K302 PolarHBondContact O-N 3.48Å; K302-S305 WeakPolarHBondContact CA-OG 3.02Å; K302-S305 PolarHBondContact O-N 3.12Å; K302-S305 PolarHBondContact O-OG 2.88Å; K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.39Å; K302-L306 PolarHBondContact O-N 3.31Å |
| 303 | R | 46.7 | Very low | 49.4 | Very low | 186 Ų | 186 | 101.7 Ų | 101.7 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.4 | -37.4 | 177.1 | -158.8 | 176.1 | -165.3 | 177.4 | 2.8 | 111.6 | M299 E300 S301 L306 G307 | M299-R303 WeakPolarHBondContact O-CB 3.22Å; M299-R303 PolarHBondContact O-N 3.12Å; E300-R303 PolarHBondContact O-N 3.21Å; S301-R303 VanDerWaalsContact C-N 3.27Å; S301-R303 PolarHBondContact O-N 3.33Å; R303-L306 PolarHBondContact O-N 2.88Å; R303-G307 WeakPolarHBondContact O-CA 3.19Å; R303-G307 PolarHBondContact O-N 3Å |
| 304 | L | 49.5 | Very low | 47.7 | Very low | 115 Ų | 115 | 102.6 Ų | 102.6 | 60% | 0.602 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -40.5 | 170.8 | -72.9 | 163.7 | 0 | 0 | 0 | 111.4 | E300 S301 N308 | E300-L304 WeakPolarHBondContact O-CG 3.23Å; E300-L304 PolarHBondContact O-N 2.8Å; S301-L304 PolarHBondContact O-N 3.29Å; L304-N308 WeakPolarHBondContact O-CB 3.46Å; L304-N308 PolarHBondContact O-N 2.88Å; L304-N308 VanDerWaalsContact O-N 3.15Å |
| 305 | S | 47.5 | Very low | 46.2 | Very low | 65 Ų | 65 | 105.1 Ų | 105.1 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.7 | -37.5 | 176.2 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | S301 K302 V309 | S301-S305 PolarHBondContact O-N 2.74Å; K302-S305 WeakPolarHBondContact CA-OG 3.02Å; K302-S305 PolarHBondContact O-N 3.12Å; K302-S305 PolarHBondContact O-OG 2.88Å; S305-V309 WeakPolarHBondContact O-CG2 3.35Å |
| 306 | L | 49.2 | Very low | 45.1 | Very low | 119 Ų | 119 | 115.1 Ų | 115.1 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78 | -31.6 | 177.3 | -74.3 | 166.7 | 0 | 0 | 0 | 112.8 | K302 R303 N308 V309 | K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.39Å; K302-L306 PolarHBondContact O-N 3.31Å; R303-L306 PolarHBondContact O-N 2.88Å; L306-N308 PolarHBondContact O-N 3.27Å; L306-V309 PolarHBondContact O-N 3.13Å |
| 307 | G | 46.8 | Very low | 44.2 | Very low | 61 Ų | 61 | 118.7 Ų | 118.7 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.4 | -22.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | R303 | R303-G307 WeakPolarHBondContact O-CA 3.19Å; R303-G307 PolarHBondContact O-N 3Å |
| 308 | N | 39.8 | Very low | 43.5 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 0.7 | 171.8 | -72.9 | -8.5 | 0 | 0 | 0 | 113.5 | L304 L306 P310 | L304-N308 WeakPolarHBondContact O-CB 3.46Å; L304-N308 PolarHBondContact O-N 2.88Å; L304-N308 VanDerWaalsContact O-N 3.15Å; L306-N308 PolarHBondContact O-N 3.27Å; N308-P310 VanDerWaalsContact O-CD 3.26Å; N308-P310 WeakPolarHBondContact O-CD 3.49Å |
| 309 | V | 34 | Very low | 43 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 54% | 0.539 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -85.2 | 110.4 | 167 | -176 | 0 | 0 | 0 | 0 | 106.8 | S305 L306 L311 | S305-V309 WeakPolarHBondContact O-CG2 3.35Å; L306-V309 PolarHBondContact O-N 3.13Å; V309-L311 PolarHBondContact O-N 3.09Å |
| 310 | P | 34.8 | Very low | 42.3 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | trans | -57.1 | 127.5 | 176.9 | 21.7 | -30 | 0 | 0 | 0 | 108.9 | N308 S312 | N308-P310 VanDerWaalsContact O-CD 3.26Å; N308-P310 WeakPolarHBondContact O-CD 3.49Å; P310-S312 PolarHBondContact O-N 2.93Å | ||
| 311 | L | 37.9 | Very low | 41.3 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -63.8 | 34.2 | 176.2 | -86 | 155.2 | 0 | 0 | 0 | 113.2 | V309 L313 | V309-L311 PolarHBondContact O-N 3.09Å; L311-L313 VanDerWaalsContact C-N 3.33Å |
| 312 | S | 36 | Very low | 40.8 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 6.8 | 178.7 | 76.8 | 0 | 0 | 0 | 0 | 114 | P310 | P310-S312 PolarHBondContact O-N 2.93Š|
| 313 | L | 35.9 | Very low | 40 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 89% | 0.885 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 12.2 | 174.9 | -79.1 | 167.9 | 0 | 0 | 0 | 114.2 | L311 | L311-L313 VanDerWaalsContact C-N 3.33Š|
| 314 | A | 34.4 | Very low | 39.5 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -106.3 | 9.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 315 | K | 31.6 | Very low | 38.6 | Very low | 188 Ų | 188 | 124.6 Ų | 124.6 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | trans | -138.9 | 82.5 | 171.3 | -75.3 | -171.6 | 178 | -177.3 | 0 | 109.9 | ||||
| 316 | N | 35.6 | Very low | 37.8 | Very low | 238 Ų | 238 | 130 Ų | 130 | 100% | 1.273 | 75% | 0.751 | S | S | * | * | trans | -167.9 | 0 | 141.9 | -85 | -19.2 | 0 | 0 | 0 | 106.9 |
Retrieved 316 of 316 residues in 519.1 ms
(Link to these results)