| 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 | 47.5 | Very low | 65.6 | Low | 215 Ų | 215 | 114.1 Ų | 114.1 | 100% | 1.059 | 62% | 0.624 | S | S | * | * | 0 | -42 | 0 | -62.2 | -163.7 | 84.9 | 0 | 0 | 113.5 | N3 Y4 | M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.09Å; M1-Y4 PolarHBondContact O-N 2.94Å | |||
| 2 | S | 51.1 | Low | 66.5 | Low | 96 Ų | 96 | 112.1 Ų | 112.1 | 67% | 0.671 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -38.8 | -51.2 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 115.5 | Y4 G5 L6 | S2-Y4 PolarHBondContact O-N 3.49Å; S2-Y4 VanDerWaalsContact O-N 3.12Å; S2-G5 PolarHBondContact O-N 3.15Å; S2-L6 PolarHBondContact O-N 2.6Å |
| 3 | N | 56.9 | Low | 66.9 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.2 | -28.9 | -178 | -57.7 | 27.4 | 0 | 0 | 0 | 114.6 | M1 L7 | M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.09Å; N3-L7 PolarHBondContact O-N 3.39Å |
| 4 | Y | 62.6 | Low | 67.3 | Low | 190 Ų | 190 | 107.2 Ų | 107.2 | 75% | 0.745 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70 | -34.5 | 175.5 | -96.2 | -90.5 | 0 | 0 | 0 | 112 | M1 S2 L7 V8 | M1-Y4 PolarHBondContact O-N 2.94Å; S2-Y4 PolarHBondContact O-N 3.49Å; S2-Y4 VanDerWaalsContact O-N 3.12Å; Y4-L7 PolarHBondContact O-N 3.45Å; Y4-V8 WeakPolarHBondContact O-CB 3.32Å; Y4-V8 WeakPolarHBondContact O-CG2 3.01Å; Y4-V8 PolarHBondContact O-N 3.39Å |
| 5 | G | 65.2 | Low | 67.6 | Low | 53 Ų | 53 | 107 Ų | 107 | 55% | 0.546 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.5 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S2 G9 | S2-G5 PolarHBondContact O-N 3.15Å; G5-G9 PolarHBondContact O-N 2.94Å |
| 6 | L | 66.1 | Low | 67.5 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.9 | -42.1 | 174.2 | -101.7 | 161.5 | 0 | 0 | 0 | 112.5 | S2 G9 F10 | S2-L6 PolarHBondContact O-N 2.6Å; L6-G9 PolarHBondContact O-N 3.28Å; L6-F10 PolarHBondContact O-N 2.91Å |
| 7 | L | 69.6 | Low | 67.2 | Low | 119 Ų | 119 | 112.5 Ų | 112.5 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.5 | -41.2 | -178.3 | -148.9 | 158.7 | 0 | 0 | 0 | 111.6 | N3 Y4 G9 F10 V11 | N3-L7 PolarHBondContact O-N 3.39Å; Y4-L7 PolarHBondContact O-N 3.45Å; L7-G9 VanDerWaalsContact C-N 3.35Å; L7-F10 PolarHBondContact O-N 3.22Å; L7-V11 HydrophobicContact CD2-CG2 4.2Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.82Å |
| 8 | V | 74.8 | Confident | 66.7 | Low | 76 Ų | 76 | 111.4 Ų | 111.4 | 46% | 0.461 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.4 | -40.3 | 170.5 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Y4 F10 V11 I12 | Y4-V8 WeakPolarHBondContact O-CB 3.32Å; Y4-V8 WeakPolarHBondContact O-CG2 3.01Å; Y4-V8 PolarHBondContact O-N 3.39Å; V8-F10 PolarHBondContact O-N 3.46Å; V8-V11 PolarHBondContact O-N 2.05Å; V8-I12 HydrophobicContact CG1-CD1 3.72Å; V8-I12 HydrophobicContact CG1-CG1 4.31Å; V8-I12 WeakPolarHBondContact O-CB 3.08Å; V8-I12 WeakPolarHBondContact O-CG1 3.08Å; V8-I12 PolarHBondContact O-N 3.33Å |
| 9 | G | 74.2 | Confident | 66 | Low | 32 Ų | 32 | 108.5 Ų | 108.5 | 33% | 0.33 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G5 L6 L7 I12 L13 | G5-G9 PolarHBondContact O-N 2.94Å; L6-G9 PolarHBondContact O-N 3.28Å; L7-G9 VanDerWaalsContact C-N 3.35Å; G9-I12 PolarHBondContact O-N 2.86Å; G9-L13 WeakPolarHBondContact O-CB 3.33Å; G9-L13 PolarHBondContact O-N 3.27Å |
| 10 | F | 76.2 | Confident | 65.1 | Low | 152 Ų | 152 | 106.5 Ų | 106.5 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -39.9 | 174.3 | -106.6 | -83.8 | 0 | 0 | 0 | 113 | L6 L7 V8 L13 A14 | L6-F10 PolarHBondContact O-N 2.91Å; L7-F10 PolarHBondContact O-N 3.22Å; V8-F10 PolarHBondContact O-N 3.46Å; F10-L13 PolarHBondContact O-N 3.12Å; F10-A14 VanDerWaalsContact O-CB 3.22Å; F10-A14 WeakPolarHBondContact O-CB 3.31Å; F10-A14 PolarHBondContact O-N 2.97Å |
| 11 | V | 78 | Confident | 64.1 | Low | 74 Ų | 74 | 105.6 Ų | 105.6 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.4 | -39.5 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | L7 V8 A14 L15 | L7-V11 HydrophobicContact CD2-CG2 4.2Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.82Å; V8-V11 PolarHBondContact O-N 2.05Å; V11-A14 PolarHBondContact O-N 3.09Å; V11-L15 HydrophobicContact CG1-CD1 3.87Å; V11-L15 HydrophobicContact CG1-CG 4.39Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.25Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 3.2Å |
| 12 | I | 76 | Confident | 63.6 | Low | 90 Ų | 90 | 102.9 Ų | 102.9 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -43.5 | 174.9 | -68.9 | 170.7 | 0 | 0 | 0 | 110.7 | V8 G9 L15 F16 | V8-I12 HydrophobicContact CG1-CD1 3.72Å; V8-I12 HydrophobicContact CG1-CG1 4.31Å; V8-I12 WeakPolarHBondContact O-CB 3.08Å; V8-I12 WeakPolarHBondContact O-CG1 3.08Å; V8-I12 PolarHBondContact O-N 3.33Å; G9-I12 PolarHBondContact O-N 2.86Å; I12-L15 PolarHBondContact O-N 2.86Å; I12-F16 HydrophobicContact CG2-CD2 3.98Å; I12-F16 HydrophobicContact CG2-CE2 4.31Å; I12-F16 WeakPolarHBondContact O-CB 3.39Å; I12-F16 PolarHBondContact O-N 2.84Å |
| 13 | L | 71.8 | Confident | 62.8 | Low | 110 Ų | 110 | 104.6 Ų | 104.6 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.7 | -40.8 | 174.4 | -98.2 | 161.8 | 0 | 0 | 0 | 112.2 | G9 F10 F16 Y17 | G9-L13 WeakPolarHBondContact O-CB 3.33Å; G9-L13 PolarHBondContact O-N 3.27Å; F10-L13 PolarHBondContact O-N 3.12Å; L13-F16 PolarHBondContact O-N 2.96Å; L13-Y17 WeakPolarHBondContact O-CB 3.29Å; L13-Y17 PolarHBondContact O-N 3.32Å |
| 14 | A | 72.8 | Confident | 61.5 | Low | 46 Ų | 46 | 103.3 Ų | 103.3 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F10 V11 Y17 I18 | F10-A14 VanDerWaalsContact O-CB 3.22Å; F10-A14 WeakPolarHBondContact O-CB 3.31Å; F10-A14 PolarHBondContact O-N 2.97Å; V11-A14 PolarHBondContact O-N 3.09Å; A14-Y17 PolarHBondContact O-N 3.24Å; A14-I18 VanDerWaalsContact O-CB 3.32Å; A14-I18 WeakPolarHBondContact O-CB 3.38Å; A14-I18 WeakPolarHBondContact O-CD1 3.33Å; A14-I18 WeakPolarHBondContact O-CG1 3.25Å; A14-I18 PolarHBondContact O-N 3.13Å |
| 15 | L | 70.9 | Confident | 59.8 | Low | 104 Ų | 104 | 100.6 Ų | 100.6 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.6 | -33.8 | 174.5 | -73.4 | 169.7 | 0 | 0 | 0 | 112.4 | V11 I12 S19 | V11-L15 HydrophobicContact CG1-CD1 3.87Å; V11-L15 HydrophobicContact CG1-CG 4.39Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.25Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 3.2Å; I12-L15 PolarHBondContact O-N 2.86Å; L15-S19 VanDerWaalsContact O-CB 3.26Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.04Å; L15-S19 PolarHBondContact O-OG 3.02Å |
| 16 | F | 66.9 | Low | 58.6 | Low | 141 Ų | 141 | 100.7 Ų | 100.7 | 62% | 0.618 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.5 | -42.8 | 169.3 | -101.9 | -87.1 | 0 | 0 | 0 | 111.7 | I12 L13 S19 S20 | I12-F16 HydrophobicContact CG2-CD2 3.98Å; I12-F16 HydrophobicContact CG2-CE2 4.31Å; I12-F16 WeakPolarHBondContact O-CB 3.39Å; I12-F16 PolarHBondContact O-N 2.84Å; L13-F16 PolarHBondContact O-N 2.96Å; F16-S19 PolarHBondContact O-OG 2.84Å; F16-S20 VanDerWaalsContact O-CB 3.3Å; F16-S20 WeakPolarHBondContact O-CB 3.46Å; F16-S20 PolarHBondContact O-N 3.36Å; F16-S20 PolarHBondContact O-OG 2.91Å |
| 17 | Y | 62.1 | Low | 57.9 | Low | 167 Ų | 167 | 103.1 Ų | 103.1 | 66% | 0.655 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -50.5 | 175.1 | -117 | -86.9 | 0 | 0 | 0 | 111.1 | L13 A14 S19 S20 V21 | L13-Y17 WeakPolarHBondContact O-CB 3.29Å; L13-Y17 PolarHBondContact O-N 3.32Å; A14-Y17 PolarHBondContact O-N 3.24Å; Y17-S19 PolarHBondContact O-N 3.06Å; Y17-S20 PolarHBondContact O-N 3.29Å; Y17-S20 PolarHBondContact O-OG 3.47Å; Y17-V21 WeakPolarHBondContact O-CB 3.41Å; Y17-V21 VanDerWaalsContact O-CG2 3.31Å; Y17-V21 WeakPolarHBondContact O-CG2 3.42Å; Y17-V21 PolarHBondContact O-N 3.39Å |
| 18 | I | 58.8 | Low | 57.8 | Low | 93 Ų | 93 | 104.6 Ų | 104.6 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.9 | -42.8 | 179.1 | -69.4 | 163.9 | 0 | 0 | 0 | 110.7 | A14 V21 F22 | A14-I18 VanDerWaalsContact O-CB 3.32Å; A14-I18 WeakPolarHBondContact O-CB 3.38Å; A14-I18 WeakPolarHBondContact O-CD1 3.33Å; A14-I18 WeakPolarHBondContact O-CG1 3.25Å; A14-I18 PolarHBondContact O-N 3.13Å; I18-V21 PolarHBondContact O-N 3.4Å; I18-F22 HydrophobicContact CG2-CD2 3.91Å; I18-F22 HydrophobicContact CG2-CE2 4.26Å; I18-F22 WeakPolarHBondContact O-CB 3.04Å; I18-F22 WeakPolarHBondContact O-CD2 3.45Å; I18-F22 PolarHBondContact O-N 3.39Å |
| 19 | S | 52.2 | Low | 58 | Low | 56 Ų | 56 | 102.1 Ų | 102.1 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.2 | -39.6 | 176.3 | 67 | 0 | 0 | 0 | 0 | 112.5 | L15 F16 Y17 V21 F22 V23 | L15-S19 VanDerWaalsContact O-CB 3.26Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.04Å; L15-S19 PolarHBondContact O-OG 3.02Å; F16-S19 PolarHBondContact O-OG 2.84Å; Y17-S19 PolarHBondContact O-N 3.06Å; S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.05Å; S19-F22 PolarHBondContact O-N 3.12Å; S19-V23 VanDerWaalsContact O-CB 3.31Å; S19-V23 WeakPolarHBondContact O-CB 3.29Å; S19-V23 VanDerWaalsContact O-CG2 3.23Å; S19-V23 WeakPolarHBondContact O-CG2 3.46Å; S19-V23 PolarHBondContact O-N 3.2Å |
| 20 | S | 48 | Very low | 58.8 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -31.4 | 174.6 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | F16 Y17 | F16-S20 VanDerWaalsContact O-CB 3.3Å; F16-S20 WeakPolarHBondContact O-CB 3.46Å; F16-S20 PolarHBondContact O-N 3.36Å; F16-S20 PolarHBondContact O-OG 2.91Å; Y17-S20 PolarHBondContact O-N 3.29Å; Y17-S20 PolarHBondContact O-OG 3.47Å |
| 21 | V | 44.3 | Very low | 59.7 | Low | 88 Ų | 88 | 98.6 Ų | 98.6 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76 | -44.3 | 174.5 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | Y17 I18 S19 C24 N25 | Y17-V21 WeakPolarHBondContact O-CB 3.41Å; Y17-V21 VanDerWaalsContact O-CG2 3.31Å; Y17-V21 WeakPolarHBondContact O-CG2 3.42Å; Y17-V21 PolarHBondContact O-N 3.39Å; I18-V21 PolarHBondContact O-N 3.4Å; S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.05Å; V21-C24 PolarHBondContact O-N 2.94Å; V21-N25 PolarHBondContact O-N 3.19Å |
| 22 | F | 37.1 | Very low | 60.5 | Low | 159 Ų | 159 | 98 Ų | 98 | 70% | 0.697 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.9 | -33.6 | 179.2 | -95.7 | -94.7 | 0 | 0 | 0 | 113.6 | I18 S19 C24 N25 | I18-F22 HydrophobicContact CG2-CD2 3.91Å; I18-F22 HydrophobicContact CG2-CE2 4.26Å; I18-F22 WeakPolarHBondContact O-CB 3.04Å; I18-F22 WeakPolarHBondContact O-CD2 3.45Å; I18-F22 PolarHBondContact O-N 3.39Å; S19-F22 PolarHBondContact O-N 3.12Å; F22-C24 VanDerWaalsContact C-N 3.26Å; F22-C24 PolarHBondContact O-N 3.31Å; F22-N25 PolarHBondContact O-N 2.96Å |
| 23 | V | 34.1 | Very low | 61.4 | Low | 132 Ų | 132 | 97.5 Ų | 97.5 | 80% | 0.8 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.3 | -17 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | S19 | S19-V23 VanDerWaalsContact O-CB 3.31Å; S19-V23 WeakPolarHBondContact O-CB 3.29Å; S19-V23 VanDerWaalsContact O-CG2 3.23Å; S19-V23 WeakPolarHBondContact O-CG2 3.46Å; S19-V23 PolarHBondContact O-N 3.2Å |
| 24 | C | 30 | Very low | 62.6 | Low | 105 Ų | 105 | 92.4 Ų | 92.4 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 4.7 | 177.2 | -157.6 | 0 | 0 | 0 | 0 | 114.1 | V21 F22 S26 | V21-C24 PolarHBondContact O-N 2.94Å; F22-C24 VanDerWaalsContact C-N 3.26Å; F22-C24 PolarHBondContact O-N 3.31Å; C24-S26 PolarHBondContact O-N 3.27Å |
| 25 | N | 26.4 | Very low | 63.8 | Low | 132 Ų | 132 | 92.1 Ų | 92.1 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | trans | -78.9 | 64.3 | 177.1 | -160 | 53.6 | 0 | 0 | 0 | 111.5 | V21 F22 E27 | V21-N25 PolarHBondContact O-N 3.19Å; F22-N25 PolarHBondContact O-N 2.96Å; N25-E27 PolarHBondContact O-N 3.47Å | ||
| 26 | S | 41.2 | Very low | 65 | Low | 55 Ų | 55 | 90 Ų | 90 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | trans | -57.8 | 121 | 164.7 | 170.2 | 0 | 0 | 0 | 0 | 108.9 | C24 N28 K408 | C24-S26 PolarHBondContact O-N 3.27Å; S26-N28 PolarHBondContact O-N 3.3Å; S26-K408 WeakPolarHBondContact OG-CE 3.1Å; S26-K408 PolarHBondContact OG-NZ 3.26Å | ||
| 27 | E | 51.2 | Low | 66.5 | Low | 167 Ų | 167 | 86.6 Ų | 86.6 | 78% | 0.78 | 48% | 0.479 | S | S | * | . | trans | -52.7 | 119.2 | 162.1 | -69.7 | 178.3 | 127.5 | 0 | 0 | 108.4 | N25 V29 K408 | N25-E27 PolarHBondContact O-N 3.47Å; E27-V29 PolarHBondContact O-N 2.64Å; E27-K408 WeakPolarHBondContact O-CE 3.48Å | ||
| 28 | N | 66.2 | Low | 68.2 | Low | 151 Ų | 151 | 78.7 Ų | 78.7 | 81% | 0.807 | 45% | 0.447 | S | S | * | . | trans | -80.5 | 103.9 | -179.8 | -80.4 | -42.8 | 0 | 0 | 0 | 107.7 | S26 N30 | S26-N28 PolarHBondContact O-N 3.3Å; N28-N30 PolarHBondContact O-N 3.33Å; N28-N30 VanDerWaalsContact O-N 3.1Å | ||
| 29 | V | 80.3 | Confident | 70.1 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 14% | 0.139 | 43% | 0.434 | C | S | . | . | trans | -48.7 | 116.1 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | E27 K31 L34 L407 K408 E411 F458 | E27-V29 PolarHBondContact O-N 2.64Å; V29-K31 VanDerWaalsContact C-N 3.32Å; V29-K31 PolarHBondContact O-N 3.22Å; V29-L34 HydrophobicContact CG1-CD1 3.36Å; V29-L407 HydrophobicContact CB-CB 4.02Å; V29-L407 HydrophobicContact CG1-CB 3.95Å; V29-L407 HydrophobicContact CG2-CB 4.06Å; V29-K408 HydrophobicContact CG2-CB 4.39Å; V29-K408 HydrophobicContact CG2-CD 4.39Å; V29-K408 HydrophobicContact CG2-CG 3.36Å; V29-E411 HydrophobicContact CG1-CB 4.34Å; V29-F458 HydrophobicContact CG1-CE1 4.44Å | ||
| 30 | N | 90.7 | Very high | 72.3 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 46% | 0.46 | 43% | 0.434 | S | S | . | . | trans | -80.3 | 84.3 | -175.9 | -171.4 | -17.9 | 0 | 0 | 0 | 110 | N28 A32 T33 L34 | N28-N30 PolarHBondContact O-N 3.33Å; N28-N30 VanDerWaalsContact O-N 3.1Å; N30-A32 PolarHBondContact O-N 3.35Å; N30-A32 VanDerWaalsContact O-N 3.14Å; N30-A32 PolarHBondContact OD1-N 3.38Å; N30-T33 VanDerWaalsContact CG-OG1 3.28Å; N30-T33 PolarHBondContact ND2-OG1 2.87Å; N30-T33 VanDerWaalsContact ND2-OG1 3.09Å; N30-T33 PolarHBondContact O-N 2.92Å; N30-T33 PolarHBondContact OD1-N 3.09Å; N30-L34 PolarHBondContact O-N 2.76Å | ||
| 31 | K | 94.3 | Very high | 74.7 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 11% | 0.109 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -46.6 | -41.7 | 176.8 | -74.3 | -168.3 | 72.2 | -153.6 | 0 | 112.7 | V29 L34 K35 L407 L457 F458 A459 E460 | V29-K31 VanDerWaalsContact C-N 3.32Å; V29-K31 PolarHBondContact O-N 3.22Å; K31-L34 PolarHBondContact O-N 2.67Å; K31-K35 WeakPolarHBondContact O-CB 3.27Å; K31-K35 PolarHBondContact O-N 3.34Å; K31-L407 HydrophobicContact CD-CD1 4.04Å; K31-L407 HydrophobicContact CD-CD2 4.17Å; K31-L407 HydrophobicContact CG-CD1 4.11Å; K31-L407 HydrophobicContact CG-CD2 4.23Å; K31-L457 WeakPolarHBondContact CE-O 3.48Å; K31-F458 VanDerWaalsContact CE-O 3.25Å; K31-F458 WeakPolarHBondContact CE-O 3.32Å; K31-F458 HydrophobicContact CG-CD1 4.49Å; K31-A459 PolarHBondContact NZ-O 2.81Å; K31-E460 WeakPolarHBondContact CD-OE1 3.34Å; K31-E460 WeakPolarHBondContact CE-OE1 3.32Å; K31-E460 IonicContact NZ-OE1 3.76Å; K31-E460 PolarHBondContact NZ-OE1 2.91Å; K31-E460 IonicContact NZ-OE2 3.6Å; K31-E460 PolarHBondContact NZ-OE2 3.49Å |
| 32 | A | 94.5 | Very high | 77.3 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 50% | 0.496 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N30 A36 | N30-A32 PolarHBondContact O-N 3.35Å; N30-A32 VanDerWaalsContact O-N 3.14Å; N30-A32 PolarHBondContact OD1-N 3.38Å; A32-A36 WeakPolarHBondContact O-CB 3.32Å; A32-A36 PolarHBondContact O-N 3.38Å; A32-A36 VanDerWaalsContact O-N 3.17Å |
| 33 | T | 96 | Very high | 80.2 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 174.5 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | N30 A36 R37 | N30-T33 VanDerWaalsContact CG-OG1 3.28Å; N30-T33 PolarHBondContact ND2-OG1 2.87Å; N30-T33 VanDerWaalsContact ND2-OG1 3.09Å; N30-T33 PolarHBondContact O-N 2.92Å; N30-T33 PolarHBondContact OD1-N 3.09Å; T33-A36 PolarHBondContact O-N 3.49Å; T33-R37 WeakPolarHBondContact O-CB 3.48Å; T33-R37 PolarHBondContact O-N 3.07Å |
| 34 | L | 97 | Very high | 83.3 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70 | -38.4 | -179.4 | -66.8 | 176.8 | 0 | 0 | 0 | 112.7 | V29 N30 K31 A36 R37 V38 E411 V414 F458 | V29-L34 HydrophobicContact CG1-CD1 3.36Å; N30-L34 PolarHBondContact O-N 2.76Å; K31-L34 PolarHBondContact O-N 2.67Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.49Å; L34-R37 PolarHBondContact O-N 3.49Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 3.35Å; L34-E411 HydrophobicContact CD1-CB 3.66Å; L34-E411 HydrophobicContact CD1-CG 3.81Å; L34-E411 HydrophobicContact CD2-CG 4.17Å; L34-V414 HydrophobicContact CD2-CG1 4.44Å; L34-F458 HydrophobicContact CB-CB 4.25Å; L34-F458 HydrophobicContact CB-CD1 3.79Å; L34-F458 HydrophobicContact CB-CD2 3.73Å; L34-F458 HydrophobicContact CB-CE1 4.04Å; L34-F458 HydrophobicContact CB-CE2 3.99Å; L34-F458 HydrophobicContact CB-CG 3.63Å; L34-F458 HydrophobicContact CB-CZ 4.13Å; L34-F458 HydrophobicContact CD1-CD1 3.89Å; L34-F458 HydrophobicContact CD1-CE1 3.42Å; L34-F458 VanDerWaalsContact CD1-CE1 3.42Å; L34-F458 HydrophobicContact CD1-CE2 4.35Å; L34-F458 HydrophobicContact CD1-CZ 3.69Å; L34-F458 HydrophobicContact CG-CE1 4.39Å; L34-F458 HydrophobicContact CG-CZ 4.5Å |
| 35 | K | 97.3 | Very high | 86.5 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 170.5 | 179.9 | -169.9 | 68.8 | -174.9 | 0 | 111.5 | K31 R37 K39 Y455 F458 D463 | K31-K35 WeakPolarHBondContact O-CB 3.27Å; K31-K35 PolarHBondContact O-N 3.34Å; K35-R37 VanDerWaalsContact C-N 3.33Å; K35-R37 PolarHBondContact O-N 3.13Å; K35-K39 VanDerWaalsContact O-CB 3.28Å; K35-K39 WeakPolarHBondContact O-CB 3.33Å; K35-K39 PolarHBondContact O-N 2.68Å; K35-Y455 HydrophobicContact CD-CE2 4.3Å; K35-Y455 HydrophobicContact CG-CD2 4.05Å; K35-Y455 HydrophobicContact CG-CE2 3.55Å; K35-F458 HydrophobicContact CB-CB 3.89Å; K35-D463 HydrophobicContact CD-CB 4.14Å; K35-D463 WeakPolarHBondContact CD-OD2 3.39Å; K35-D463 IonicContact NZ-OD1 3.26Å; K35-D463 PolarHBondContact NZ-OD1 2.76Å; K35-D463 IonicContact NZ-OD2 2.74Å; K35-D463 PolarHBondContact NZ-OD2 3.22Å |
| 36 | A | 97.6 | Very high | 89.9 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 49% | 0.488 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | A32 T33 L34 E40 | A32-A36 WeakPolarHBondContact O-CB 3.32Å; A32-A36 PolarHBondContact O-N 3.38Å; A32-A36 VanDerWaalsContact O-N 3.17Å; T33-A36 PolarHBondContact O-N 3.49Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.49Å; A36-E40 PolarHBondContact O-N 2.75Å |
| 37 | R | 97.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.4 | -48.3 | 177.2 | -171.5 | 174.3 | -179.8 | -162.4 | -5.2 | 112.5 | T33 L34 K35 K39 E40 M41 V414 N415 E418 | T33-R37 WeakPolarHBondContact O-CB 3.48Å; T33-R37 PolarHBondContact O-N 3.07Å; L34-R37 PolarHBondContact O-N 3.49Å; K35-R37 VanDerWaalsContact C-N 3.33Å; K35-R37 PolarHBondContact O-N 3.13Å; R37-K39 VanDerWaalsContact C-N 3.29Å; R37-K39 PolarHBondContact O-N 3.18Å; R37-E40 WeakPolarHBondContact O-CB 3.44Å; R37-E40 PolarHBondContact O-N 3.16Å; R37-E40 VanDerWaalsContact O-N 3.09Å; R37-M41 HydrophobicContact CG-SD 4.5Å; R37-M41 VanDerWaalsContact O-CG 3.31Å; R37-M41 WeakPolarHBondContact O-CG 3.4Å; R37-M41 PolarHBondContact O-N 3.46Å; R37-V414 HydrophobicContact CG-CG1 4.23Å; R37-N415 PolarHBondContact NH1-OD1 3.05Å; R37-N415 PolarHBondContact NH2-OD1 3.5Å; R37-N415 VanDerWaalsContact NH2-OD1 3.12Å; R37-E418 IonicContact CZ-OE2 2.83Å; R37-E418 IonicContact NE-OE2 2.66Å; R37-E418 PolarHBondContact NE-OE2 2.87Å; R37-E418 IonicContact NH2-OE2 3.68Å; R37-E418 PolarHBondContact NH2-OE2 2.8Å |
| 38 | V | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L34 E40 M41 F42 V414 L454 F458 | L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 3.35Å; V38-E40 VanDerWaalsContact C-N 3.31Å; V38-E40 PolarHBondContact O-N 2.92Å; V38-M41 HydrophobicContact CG2-SD 4.46Å; V38-M41 PolarHBondContact O-N 3.29Å; V38-F42 PolarHBondContact O-N 3.43Å; V38-V414 HydrophobicContact CG2-CG2 3.61Å; V38-L454 HydrophobicContact CB-CB 4.45Å; V38-L454 HydrophobicContact CG1-CB 3.62Å; V38-L454 HydrophobicContact CG2-CB 3.94Å; V38-F458 HydrophobicContact CG2-CD2 4Å; V38-F458 HydrophobicContact CG2-CE2 4.17Å |
| 39 | K | 98.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 173 | 178.1 | 160.1 | -177.2 | 159 | 0 | 112.4 | K35 R37 L43 I99 E101 Y455 | K35-K39 VanDerWaalsContact O-CB 3.28Å; K35-K39 WeakPolarHBondContact O-CB 3.33Å; K35-K39 PolarHBondContact O-N 2.68Å; R37-K39 VanDerWaalsContact C-N 3.29Å; R37-K39 PolarHBondContact O-N 3.18Å; K39-L43 HydrophobicContact CG-CD1 4.16Å; K39-L43 WeakPolarHBondContact O-CB 3.24Å; K39-L43 VanDerWaalsContact O-CG 3.31Å; K39-L43 WeakPolarHBondContact O-CG 3.36Å; K39-L43 PolarHBondContact O-N 2.63Å; K39-I99 HydrophobicContact CB-CG2 4.21Å; K39-I99 HydrophobicContact CD-CG2 3.64Å; K39-I99 HydrophobicContact CG-CG2 3.64Å; K39-I99 PolarHBondContact NZ-O 3.48Å; K39-E101 WeakPolarHBondContact CE-OE1 3.48Å; K39-E101 IonicContact NZ-OE1 2.65Å; K39-E101 PolarHBondContact NZ-OE1 2.96Å; K39-Y455 HydrophobicContact CB-CD2 4.29Å; K39-Y455 HydrophobicContact CB-CE2 4.13Å; K39-Y455 HydrophobicContact CD-CE2 4.3Å |
| 40 | E | 98.1 | Very high | 97.2 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 173.2 | -170.7 | -76 | 152.2 | 0 | 0 | 111.7 | A36 R37 V38 F42 L43 H44 R422 | A36-E40 PolarHBondContact O-N 2.75Å; R37-E40 WeakPolarHBondContact O-CB 3.44Å; R37-E40 PolarHBondContact O-N 3.16Å; R37-E40 VanDerWaalsContact O-N 3.09Å; V38-E40 VanDerWaalsContact C-N 3.31Å; V38-E40 PolarHBondContact O-N 2.92Å; E40-F42 PolarHBondContact O-N 2.97Å; E40-L43 PolarHBondContact O-N 2.63Å; E40-H44 WeakPolarHBondContact O-CB 3.42Å; E40-H44 PolarHBondContact O-N 3.03Å; E40-R422 IonicContact OE1-CZ 3.13Å; E40-R422 IonicContact OE1-NH1 2.74Å; E40-R422 IonicContact OE1-NH2 2.69Å; E40-R422 PolarHBondContact OE1-NH2 3.21Å; E40-R422 IonicContact OE2-CZ 3.16Å; E40-R422 IonicContact OE2-NH1 3.74Å; E40-R422 PolarHBondContact OE2-NH1 2.88Å; E40-R422 IonicContact OE2-NH2 2.74Å; E40-R422 PolarHBondContact OE2-NH2 3.28Å |
| 41 | M | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 174.6 | -63.5 | 165.4 | 66 | 0 | 0 | 111.9 | R37 V38 H44 A45 V414 L417 E418 F427 F451 | R37-M41 HydrophobicContact CG-SD 4.5Å; R37-M41 VanDerWaalsContact O-CG 3.31Å; R37-M41 WeakPolarHBondContact O-CG 3.4Å; R37-M41 PolarHBondContact O-N 3.46Å; V38-M41 HydrophobicContact CG2-SD 4.46Å; V38-M41 PolarHBondContact O-N 3.29Å; M41-H44 PolarHBondContact O-N 3.36Å; M41-A45 PolarHBondContact O-N 3.08Å; M41-A45 VanDerWaalsContact O-N 3.08Å; M41-V414 HydrophobicContact SD-CG1 3.87Å; M41-L417 HydrophobicContact CE-CB 4.11Å; M41-E418 HydrophobicContact CE-CG 3.74Å; M41-E418 HydrophobicContact CG-CG 3.98Å; M41-E418 HydrophobicContact SD-CG 3.62Å; M41-F427 HydrophobicContact CB-CE2 4.06Å; M41-F427 HydrophobicContact CB-CZ 3.79Å; M41-F427 HydrophobicContact CE-CE1 4.01Å; M41-F427 HydrophobicContact CE-CZ 3.94Å; M41-F427 HydrophobicContact CG-CZ 3.91Å; M41-F427 WeakPolarHBondContact O-CE2 3.38Å; M41-F451 HydrophobicContact CB-CE1 4.27Å; M41-F451 HydrophobicContact CB-CZ 4.4Å; M41-F451 HydrophobicContact CE-CD1 4.49Å; M41-F451 HydrophobicContact CE-CE1 3.85Å |
| 42 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 174.2 | -179.8 | -83.8 | 0 | 0 | 0 | 111.2 | V38 E40 H44 A45 Y46 L96 I99 L447 F451 | V38-F42 PolarHBondContact O-N 3.43Å; E40-F42 PolarHBondContact O-N 2.97Å; F42-H44 PolarHBondContact O-N 2.99Å; F42-A45 PolarHBondContact O-N 3.22Å; F42-Y46 HydrophobicContact CE1-CG 4.23Å; F42-Y46 VanDerWaalsContact O-CB 3.27Å; F42-Y46 WeakPolarHBondContact O-CB 3.25Å; F42-Y46 PolarHBondContact O-N 2.92Å; F42-L96 HydrophobicContact CE1-CD2 3.75Å; F42-L96 HydrophobicContact CE1-CG 4.18Å; F42-L96 HydrophobicContact CZ-CD2 4.29Å; F42-L96 HydrophobicContact CZ-CG 4.21Å; F42-I99 HydrophobicContact CB-CD1 3.94Å; F42-I99 HydrophobicContact CD1-CD1 3.82Å; F42-I99 HydrophobicContact CD2-CD1 3.4Å; F42-I99 HydrophobicContact CE1-CD1 4.2Å; F42-I99 HydrophobicContact CE2-CD1 3.8Å; F42-I99 HydrophobicContact CG-CD1 3.41Å; F42-I99 VanDerWaalsContact CG-CD1 3.41Å; F42-I99 HydrophobicContact CZ-CD1 4.2Å; F42-L447 HydrophobicContact CD2-CD2 4.01Å; F42-L447 HydrophobicContact CE2-CB 3.96Å; F42-L447 HydrophobicContact CE2-CD2 3.94Å; F42-L447 HydrophobicContact CE2-CG 4.44Å; F42-L447 HydrophobicContact CZ-CD2 4.44Å; F42-F451 HydrophobicContact CB-CB 4.19Å; F42-F451 HydrophobicContact CB-CD2 4.17Å; F42-F451 HydrophobicContact CB-CG 4.42Å; F42-F451 HydrophobicContact CD2-CB 3.84Å; F42-F451 HydrophobicContact CD2-CD2 4.14Å; F42-F451 HydrophobicContact CD2-CG 4.49Å |
| 43 | L | 98.2 | Very high | 97.7 | Very high | 43 Ų | 43 | 38 Ų | 38 | 23% | 0.225 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 179.7 | -74.7 | 170.8 | 0 | 0 | 0 | 112.6 | K39 E40 N47 E101 | K39-L43 HydrophobicContact CG-CD1 4.16Å; K39-L43 WeakPolarHBondContact O-CB 3.24Å; K39-L43 VanDerWaalsContact O-CG 3.31Å; K39-L43 WeakPolarHBondContact O-CG 3.36Å; K39-L43 PolarHBondContact O-N 2.63Å; E40-L43 PolarHBondContact O-N 2.63Å; L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 3.49Å; L43-N47 PolarHBondContact O-ND2 2.86Å; L43-E101 HydrophobicContact CD2-CG 4.28Å |
| 44 | H | 98.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 36.7 Ų | 36.7 | 15% | 0.153 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.6 | 176.3 | 77.1 | 0 | 0 | 0 | 111.6 | E40 M41 F42 N48 R422 V423 P424 G426 F427 | E40-H44 WeakPolarHBondContact O-CB 3.42Å; E40-H44 PolarHBondContact O-N 3.03Å; M41-H44 PolarHBondContact O-N 3.36Å; F42-H44 PolarHBondContact O-N 2.99Å; H44-N48 WeakPolarHBondContact O-CB 3.37Å; H44-N48 PolarHBondContact O-N 3.11Å; H44-N48 PolarHBondContact O-ND2 3.49Å; H44-R422 VanDerWaalsContact CB-NH2 3.28Å; H44-R422 PolarHBondContact CD2-NE 3.01Å; H44-R422 PolarHBondContact ND1-NH2 2.89Å; H44-R422 VanDerWaalsContact ND1-NH2 3.13Å; H44-V423 PolarHBondContact CE1-O 3.37Å; H44-V423 PolarHBondContact NE2-O 2.94Å; H44-P424 PolarHBondContact CE1-O 3.23Å; H44-P424 VanDerWaalsContact CE1-O 3.31Å; H44-G426 PolarHBondContact CD2-O 3.25Å; H44-G426 VanDerWaalsContact CD2-O 3.31Å; H44-G426 WeakPolarHBondContact NE2-CA 3.42Å; H44-G426 PolarHBondContact NE2-N 2.82Å; H44-G426 PolarHBondContact NE2-O 3.09Å; H44-F427 AromaticContact CD2-CE2 3.69Å |
| 45 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70 | -50.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M41 F42 N48 Y49 F427 F442 L447 F451 | M41-A45 PolarHBondContact O-N 3.08Å; M41-A45 VanDerWaalsContact O-N 3.08Å; F42-A45 PolarHBondContact O-N 3.22Å; A45-N48 PolarHBondContact O-N 3.45Å; A45-Y49 PolarHBondContact O-N 2.95Å; A45-F427 HydrophobicContact CB-CD2 4.09Å; A45-F442 HydrophobicContact CB-CE2 3.95Å; A45-F442 HydrophobicContact CB-CZ 3.7Å; A45-L447 HydrophobicContact CB-CD2 3.69Å; A45-F451 HydrophobicContact CB-CE2 3.74Å |
| 46 | Y | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | -178.1 | 172.5 | -96.7 | 0 | 0 | 0 | 112.3 | F42 N48 Y49 K50 M89 L96 E104 L447 | F42-Y46 HydrophobicContact CE1-CG 4.23Å; F42-Y46 VanDerWaalsContact O-CB 3.27Å; F42-Y46 WeakPolarHBondContact O-CB 3.25Å; F42-Y46 PolarHBondContact O-N 2.92Å; Y46-N48 VanDerWaalsContact C-N 3.35Å; Y46-N48 PolarHBondContact O-N 3.15Å; Y46-Y49 PolarHBondContact O-N 3.3Å; Y46-K50 HydrophobicContact CE1-CB 4.47Å; Y46-K50 HydrophobicContact CE1-CD 3.77Å; Y46-K50 VanDerWaalsContact O-CB 3.28Å; Y46-K50 WeakPolarHBondContact O-CB 3.46Å; Y46-K50 PolarHBondContact O-N 3.07Å; Y46-M89 HydrophobicContact CE2-CE 4.16Å; Y46-M89 HydrophobicContact CE2-SD 3.96Å; Y46-L96 HydrophobicContact CD1-CD2 4.21Å; Y46-L96 HydrophobicContact CD2-CD1 4.46Å; Y46-L96 HydrophobicContact CD2-CD2 4.35Å; Y46-L96 HydrophobicContact CE1-CD2 4.1Å; Y46-L96 HydrophobicContact CE2-CD1 3.77Å; Y46-L96 HydrophobicContact CE2-CD2 4.24Å; Y46-L96 HydrophobicContact CE2-CG 4.34Å; Y46-L96 HydrophobicContact CG-CD2 4.34Å; Y46-E104 HydrophobicContact CD1-CG 4.47Å; Y46-E104 HydrophobicContact CE1-CG 3.5Å; Y46-E104 VanDerWaalsContact CE1-CG 3.5Å; Y46-E104 VanDerWaalsContact CE1-OE1 3.31Å; Y46-E104 WeakPolarHBondContact CE1-OE1 3.35Å; Y46-E104 PolarHBondContact OH-OE1 3.08Å; Y46-L447 HydrophobicContact CD2-CD1 4.12Å |
| 47 | N | 98 | Very high | 97.4 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 32% | 0.321 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65 | -39.5 | 179.1 | -68.7 | -36.6 | 0 | 0 | 0 | 111.2 | L43 Y49 K50 D51 | L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 3.49Å; L43-N47 PolarHBondContact O-ND2 2.86Å; N47-Y49 PolarHBondContact O-N 2.98Å; N47-K50 PolarHBondContact O-N 2.88Å; N47-D51 VanDerWaalsContact O-CB 3.31Å; N47-D51 WeakPolarHBondContact O-CB 2.98Å; N47-D51 VanDerWaalsContact O-CG 3.31Å; N47-D51 PolarHBondContact O-N 3.21Å |
| 48 | N | 98.2 | Very high | 97.3 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 16% | 0.155 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -35.1 | 176.1 | -84.1 | -66.1 | 0 | 0 | 0 | 113 | H44 A45 Y46 N52 L59 C425 G426 | H44-N48 WeakPolarHBondContact O-CB 3.37Å; H44-N48 PolarHBondContact O-N 3.11Å; H44-N48 PolarHBondContact O-ND2 3.49Å; A45-N48 PolarHBondContact O-N 3.45Å; Y46-N48 VanDerWaalsContact C-N 3.35Å; Y46-N48 PolarHBondContact O-N 3.15Å; N48-N52 VanDerWaalsContact O-CB 3.3Å; N48-N52 WeakPolarHBondContact O-CB 3.22Å; N48-N52 PolarHBondContact O-N 3.2Å; N48-N52 VanDerWaalsContact O-N 3.08Å; N48-N52 PolarHBondContact O-ND2 2.81Å; N48-N52 PolarHBondContact OD1-ND2 2.88Å; N48-L59 HydrophobicContact CB-CD2 4.16Å; N48-C425 WeakPolarHBondContact OD1-CA 3.37Å; N48-G426 PolarHBondContact ND2-N 3.07Å |
| 49 | Y | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.9 | -47.7 | 171 | 166.3 | -100.4 | 0 | 0 | 0 | 111.2 | A45 Y46 N47 D51 A53 F54 A56 L59 T88 M89 | A45-Y49 PolarHBondContact O-N 2.95Å; Y46-Y49 PolarHBondContact O-N 3.3Å; N47-Y49 PolarHBondContact O-N 2.98Å; Y49-D51 VanDerWaalsContact C-N 3.34Å; Y49-D51 PolarHBondContact O-N 3.18Å; Y49-A53 HydrophobicContact CD2-CB 3.55Å; Y49-A53 HydrophobicContact CE2-CB 3.92Å; Y49-A53 HydrophobicContact CG-CB 4.4Å; Y49-A53 CarbonylContact O-C 3.41Å; Y49-A53 WeakPolarHBondContact O-CA 3.24Å; Y49-A53 WeakPolarHBondContact O-CB 3.15Å; Y49-A53 PolarHBondContact O-N 3.1Å; Y49-F54 HydrophobicContact CE1-CB 4.15Å; Y49-F54 HydrophobicContact CE1-CD2 4.2Å; Y49-F54 PolarHBondContact O-N 2.71Å; Y49-A56 WeakPolarHBondContact CE2-O 3.28Å; Y49-A56 PolarHBondContact OH-O 2.82Å; Y49-L59 HydrophobicContact CD2-CB 4.09Å; Y49-T88 HydrophobicContact CD1-CG2 3.87Å; Y49-T88 HydrophobicContact CD2-CG2 3.86Å; Y49-T88 HydrophobicContact CE1-CG2 4.1Å; Y49-T88 HydrophobicContact CE2-CG2 4.13Å; Y49-T88 HydrophobicContact CG-CG2 3.75Å; Y49-M89 HydrophobicContact CE1-CB 3.83Å; Y49-M89 HydrophobicContact CE1-CE 4.09Å; Y49-M89 PolarHBondContact OH-N 3.41Å |
| 50 | K | 96.8 | Very high | 97.1 | Very high | 62 Ų | 62 | 30.4 Ų | 30.4 | 27% | 0.27 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.4 | -40.9 | 178.8 | 174.5 | -179 | 166.8 | -177.6 | 0 | 113.3 | Y46 N47 E104 | Y46-K50 HydrophobicContact CE1-CB 4.47Å; Y46-K50 HydrophobicContact CE1-CD 3.77Å; Y46-K50 VanDerWaalsContact O-CB 3.28Å; Y46-K50 WeakPolarHBondContact O-CB 3.46Å; Y46-K50 PolarHBondContact O-N 3.07Å; N47-K50 PolarHBondContact O-N 2.88Å; K50-E104 WeakPolarHBondContact CD-OE1 3.18Å; K50-E104 WeakPolarHBondContact CE-OE1 3.44Å; K50-E104 IonicContact NZ-OE1 3.95Å; K50-E104 PolarHBondContact NZ-OE1 3.04Å; K50-E104 IonicContact NZ-OE2 2.81Å; K50-E104 PolarHBondContact NZ-OE2 3.48Å |
| 51 | D | 97 | Very high | 97.1 | Very high | 119 Ų | 119 | 26.6 Ų | 26.6 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -90.8 | -27.8 | -173.2 | -65.9 | -18 | 0 | 0 | 0 | 113.5 | N47 Y49 | N47-D51 VanDerWaalsContact O-CB 3.31Å; N47-D51 WeakPolarHBondContact O-CB 2.98Å; N47-D51 VanDerWaalsContact O-CG 3.31Å; N47-D51 PolarHBondContact O-N 3.21Å; Y49-D51 VanDerWaalsContact C-N 3.34Å; Y49-D51 PolarHBondContact O-N 3.18Å |
| 52 | N | 96.8 | Very high | 97 | Very high | 65 Ų | 65 | 30.2 Ų | 30.2 | 35% | 0.348 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -114.1 | -17.4 | -175.5 | -53.2 | -86.3 | 0 | 0 | 0 | 115.1 | N48 L59 K65 G66 | N48-N52 VanDerWaalsContact O-CB 3.3Å; N48-N52 WeakPolarHBondContact O-CB 3.22Å; N48-N52 PolarHBondContact O-N 3.2Å; N48-N52 VanDerWaalsContact O-N 3.08Å; N48-N52 PolarHBondContact O-ND2 2.81Å; N48-N52 PolarHBondContact OD1-ND2 2.88Å; N52-L59 HydrophobicContact CB-CD1 4.47Å; N52-K65 CarbonylContact O-C 3.56Å; N52-G66 PolarHBondContact O-N 3.43Å |
| 53 | A | 96.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -48.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y49 A56 L59 G66 | Y49-A53 HydrophobicContact CD2-CB 3.55Å; Y49-A53 HydrophobicContact CE2-CB 3.92Å; Y49-A53 HydrophobicContact CG-CB 4.4Å; Y49-A53 CarbonylContact O-C 3.41Å; Y49-A53 WeakPolarHBondContact O-CA 3.24Å; Y49-A53 WeakPolarHBondContact O-CB 3.15Å; Y49-A53 PolarHBondContact O-N 3.1Å; A53-A56 WeakPolarHBondContact O-CB 3.35Å; A53-A56 PolarHBondContact O-N 3.15Å; A53-L59 HydrophobicContact CB-CB 4.2Å; A53-L59 HydrophobicContact CB-CD1 3.96Å; A53-G66 VanDerWaalsContact CB-CA 3.45Å |
| 54 | F | 95.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 23% | 0.228 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 129.7 | -178 | -179.5 | -95.5 | 0 | 0 | 0 | 111.6 | Y49 M89 A111 T115 | Y49-F54 HydrophobicContact CE1-CB 4.15Å; Y49-F54 HydrophobicContact CE1-CD2 4.2Å; Y49-F54 PolarHBondContact O-N 2.71Å; F54-M89 HydrophobicContact CD2-CB 4.01Å; F54-M89 HydrophobicContact CD2-CE 3.6Å; F54-M89 HydrophobicContact CD2-CG 4.18Å; F54-M89 HydrophobicContact CE2-CB 4.02Å; F54-M89 HydrophobicContact CE2-CE 3.91Å; F54-M89 HydrophobicContact CE2-CG 3.88Å; F54-M89 HydrophobicContact CG-CE 4.07Å; F54-A111 HydrophobicContact CE1-CB 4.3Å; F54-A111 HydrophobicContact CZ-CB 3.89Å; F54-T115 HydrophobicContact CZ-CG2 4.32Å |
| 55 | P | 94.8 | Very high | 96.7 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.6 | 17.8 | 15.5 | 39 | -38.7 | 0 | 0 | 0 | 115.9 | S86 | P55-S86 WeakPolarHBondContact CA-OG 3.16Å; P55-S86 WeakPolarHBondContact CB-OG 3.47Å; P55-S86 PolarHBondContact O-OG 3.22Å |
| 56 | A | 95.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -57.9 | 160.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y49 A53 G66 R67 Y68 | Y49-A56 WeakPolarHBondContact CE2-O 3.28Å; Y49-A56 PolarHBondContact OH-O 2.82Å; A53-A56 WeakPolarHBondContact O-CB 3.35Å; A53-A56 PolarHBondContact O-N 3.15Å; A56-G66 VanDerWaalsContact CB-CA 3.41Å; A56-R67 WeakPolarHBondContact CB-O 3.4Å; A56-Y68 HydrophobicContact CB-CD1 4.2Å; A56-Y68 HydrophobicContact CB-CD2 3.87Å; A56-Y68 HydrophobicContact CB-CE1 3.87Å; A56-Y68 HydrophobicContact CB-CE2 3.49Å; A56-Y68 VanDerWaalsContact CB-CE2 3.49Å; A56-Y68 HydrophobicContact CB-CG 4.2Å; A56-Y68 VanDerWaalsContact CB-CZ 3.48Å; A56-Y68 PolarHBondContact N-OH 2.76Å |
| 57 | D | 95.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -68.4 | -46.6 | -178.5 | -74.4 | -34.7 | 0 | 0 | 0 | 111.6 | R67 L82 G83 N84 F85 S86 L87 T88 | D57-R67 PolarHBondContact N-O 3.4Å; D57-R67 VanDerWaalsContact N-O 3.1Å; D57-L82 HydrophobicContact CB-CB 4.28Å; D57-L82 HydrophobicContact CB-CD2 3.67Å; D57-L82 HydrophobicContact CB-CG 4.45Å; D57-L82 WeakPolarHBondContact OD2-CA 3.28Å; D57-L82 WeakPolarHBondContact OD2-CB 3.39Å; D57-G83 PolarHBondContact OD2-N 3.5Å; D57-N84 WeakPolarHBondContact OD2-CA 3.23Å; D57-N84 PolarHBondContact OD2-N 3.3Å; D57-F85 PolarHBondContact OD1-N 2.96Å; D57-S86 PolarHBondContact OD1-N 2.93Å; D57-L87 HydrophobicContact CB-CB 3.8Å; D57-L87 PolarHBondContact OD1-N 3.44Å; D57-L87 VanDerWaalsContact OD1-N 3.12Å; D57-T88 VanDerWaalsContact O-CB 3.31Å; D57-T88 WeakPolarHBondContact O-CB 3.49Å; D57-T88 PolarHBondContact O-N 2.87Å; D57-T88 PolarHBondContact O-OG1 3.27Å |
| 58 | E | 95.9 | Very high | 96 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 169.8 | -176.3 | -70.9 | 175.6 | 157.3 | 0 | 0 | 112.3 | G66 R67 R75 L82 | E58-G66 WeakPolarHBondContact O-CA 3.37Å; E58-R67 HydrophobicContact CB-CB 4.17Å; E58-R67 PolarHBondContact N-O 3.33Å; E58-R67 PolarHBondContact O-N 3.46Å; E58-R75 IonicContact OE1-NH2 3.94Å; E58-R75 IonicContact OE2-CZ 2.94Å; E58-R75 VanDerWaalsContact OE2-CZ 3.3Å; E58-R75 IonicContact OE2-NH1 2.95Å; E58-R75 PolarHBondContact OE2-NH1 2.85Å; E58-R75 VanDerWaalsContact OE2-NH1 3.15Å; E58-R75 IonicContact OE2-NH2 3.21Å; E58-R75 PolarHBondContact OE2-NH2 3.32Å; E58-L82 HydrophobicContact CG-CD2 3.92Å |
| 59 | L | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.6 | 175.5 | 173.9 | 61.9 | 0 | 0 | 0 | 110.6 | N48 Y49 N52 A53 P61 C425 F442 | N48-L59 HydrophobicContact CB-CD2 4.16Å; Y49-L59 HydrophobicContact CD2-CB 4.09Å; N52-L59 HydrophobicContact CB-CD1 4.47Å; A53-L59 HydrophobicContact CB-CB 4.2Å; A53-L59 HydrophobicContact CB-CD1 3.96Å; L59-P61 HydrophobicContact CD2-CB 4.46Å; L59-P61 HydrophobicContact CG-CB 4.3Å; L59-P61 WeakPolarHBondContact O-CD 3.15Å; L59-C425 WeakPolarHBondContact CD2-O 3.31Å; L59-F442 HydrophobicContact CB-CB 4.21Å; L59-F442 HydrophobicContact CB-CD1 4.01Å; L59-F442 HydrophobicContact CB-CG 4.46Å; L59-F442 HydrophobicContact CD2-CD1 4.36Å; L59-F442 PolarHBondContact O-N 2.85Å |
| 60 | M | 96.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 96.8 | 166.2 | -64.4 | -171.2 | -56.8 | 0 | 0 | 106.9 | C64 K65 R67 D440 | M60-C64 WeakPolarHBondContact O-CA 3.28Å; M60-C64 PolarHBondContact O-N 2.6Å; M60-K65 HydrophobicContact CB-CB 4.45Å; M60-K65 WeakPolarHBondContact CB-O 3.36Å; M60-K65 HydrophobicContact CE-CB 3.65Å; M60-K65 HydrophobicContact CE-CD 4.35Å; M60-K65 PolarHBondContact N-O 3.44Å; M60-K65 PolarHBondContact O-N 2.83Å; M60-K65 VanDerWaalsContact O-N 3.17Å; M60-R67 HydrophobicContact CG-CB 3.95Å; M60-R67 HydrophobicContact SD-CB 4.09Å; M60-R67 HydrophobicContact SD-CG 4.38Å; M60-D440 WeakPolarHBondContact CA-OD1 3.17Å; M60-D440 WeakPolarHBondContact CB-OD1 3.36Å |
| 61 | P | 97.2 | Very high | 94 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -10.4 | -161.6 | 36.7 | -41.4 | 0 | 0 | 0 | 114.5 | L59 V423 C425 F427 A428 D440 F442 | L59-P61 HydrophobicContact CD2-CB 4.46Å; L59-P61 HydrophobicContact CG-CB 4.3Å; L59-P61 WeakPolarHBondContact O-CD 3.15Å; P61-V423 HydrophobicContact CB-CG2 3.81Å; P61-V423 HydrophobicContact CG-CG2 4.48Å; P61-V423 WeakPolarHBondContact O-CG2 3.47Å; P61-C425 WeakPolarHBondContact CA-O 3.45Å; P61-C425 VanDerWaalsContact CB-O 3.3Å; P61-C425 WeakPolarHBondContact CB-O 3.3Å; P61-C425 WeakPolarHBondContact O-CB 3.39Å; P61-F427 VanDerWaalsContact CB-O 3.24Å; P61-F427 WeakPolarHBondContact CB-O 3.35Å; P61-F427 WeakPolarHBondContact CG-O 3.43Å; P61-A428 HydrophobicContact CG-CB 3.77Å; P61-D440 WeakPolarHBondContact CD-OD1 3.42Å; P61-D440 VanDerWaalsContact N-OD1 3.09Å; P61-F442 HydrophobicContact CB-CB 4.44Å; P61-F442 HydrophobicContact CG-CB 4.09Å |
| 62 | L | 96.7 | Very high | 92.9 | Very high | 77 Ų | 77 | 45 Ų | 45 | 40% | 0.403 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -36 | 172.1 | -54 | -178.9 | 0 | 0 | 0 | 111.3 | V423 A428 H438 D440 | L62-V423 HydrophobicContact CD2-CB 4.28Å; L62-V423 HydrophobicContact CD2-CG1 3.83Å; L62-V423 HydrophobicContact CD2-CG2 4.36Å; L62-A428 HydrophobicContact CD2-CB 3.96Å; L62-A428 HydrophobicContact CG-CB 4.39Å; L62-H438 HydrophobicContact CD1-CB 3.8Å; L62-H438 HydrophobicContact CD2-CB 3.96Å; L62-H438 HydrophobicContact CG-CB 4.45Å; L62-D440 WeakPolarHBondContact CA-OD1 3.49Å; L62-D440 HydrophobicContact CB-CB 4.11Å; L62-D440 WeakPolarHBondContact CB-OD1 3.42Å; L62-D440 HydrophobicContact CD1-CB 4.1Å; L62-D440 HydrophobicContact CG-CB 4.24Å; L62-D440 PolarHBondContact N-OD1 3.14Å |
| 63 | T | 96 | Very high | 92.1 | Very high | 61 Ų | 61 | 48 Ų | 48 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.7 | 175.6 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | D440 | T63-D440 VanDerWaalsContact CB-OD2 3.28Å; T63-D440 WeakPolarHBondContact CB-OD2 3.31Å; T63-D440 WeakPolarHBondContact CG2-OD2 3.38Å; T63-D440 PolarHBondContact N-OD1 2.97Å; T63-D440 PolarHBondContact N-OD2 3.4Å; T63-D440 PolarHBondContact OG1-OD2 2.89Å |
| 64 | C | 97.1 | Very high | 91.4 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 31% | 0.311 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 55.4 | -179.9 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | M60 C425 | M60-C64 WeakPolarHBondContact O-CA 3.28Å; M60-C64 PolarHBondContact O-N 2.6Å; C64-C425 HydrophobicContact CB-CB 3.83Å; C64-C425 WeakPolarHBondContact CB-SG 3.23Å; C64-C425 WeakPolarHBondContact SG-CB 3.18Å; C64-C425 CovalentContact SG-SG 2.04Å; C64-C425 PolarHBondContact SG-SG 3.5Å |
| 65 | K | 95.5 | Very high | 90.8 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.5 | -174.6 | -71.5 | 167.8 | -163.9 | 164.1 | 0 | 112.1 | N52 M60 | N52-K65 CarbonylContact O-C 3.56Å; M60-K65 HydrophobicContact CB-CB 4.45Å; M60-K65 WeakPolarHBondContact CB-O 3.36Å; M60-K65 HydrophobicContact CE-CB 3.65Å; M60-K65 HydrophobicContact CE-CD 4.35Å; M60-K65 PolarHBondContact N-O 3.44Å; M60-K65 PolarHBondContact O-N 2.83Å; M60-K65 VanDerWaalsContact O-N 3.17Å |
| 66 | G | 94.9 | Very high | 90.1 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138 | 167 | 0 | 0 | 0 | 0 | 0 | 113.7 | N52 A53 A56 E58 | N52-G66 PolarHBondContact O-N 3.43Å; A53-G66 VanDerWaalsContact CB-CA 3.45Å; A56-G66 VanDerWaalsContact CB-CA 3.41Å; E58-G66 WeakPolarHBondContact O-CA 3.37Å |
| 67 | R | 93.8 | Very high | 89.3 | Confident | 19 Ų | 19 | 55 Ų | 55 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.2 | 169.7 | -173.5 | -179.9 | -174.6 | 78.9 | 5.3 | 110.1 | A56 D57 E58 M60 V73 D79 L82 | A56-R67 WeakPolarHBondContact CB-O 3.4Å; D57-R67 PolarHBondContact N-O 3.4Å; D57-R67 VanDerWaalsContact N-O 3.1Å; E58-R67 HydrophobicContact CB-CB 4.17Å; E58-R67 PolarHBondContact N-O 3.33Å; E58-R67 PolarHBondContact O-N 3.46Å; M60-R67 HydrophobicContact CG-CB 3.95Å; M60-R67 HydrophobicContact SD-CB 4.09Å; M60-R67 HydrophobicContact SD-CG 4.38Å; R67-V73 PolarHBondContact NH2-O 2.74Å; R67-D79 IonicContact CZ-OD1 2.75Å; R67-D79 IonicContact CZ-OD2 2.69Å; R67-D79 IonicContact NE-OD1 3.26Å; R67-D79 PolarHBondContact NE-OD1 3.25Å; R67-D79 IonicContact NH2-OD1 3.44Å; R67-D79 PolarHBondContact NH2-OD1 3.25Å; R67-D79 IonicContact NH2-OD2 3.38Å; R67-D79 PolarHBondContact NH2-OD2 2.77Å; R67-L82 HydrophobicContact CG-CD1 4.08Å |
| 68 | Y | 92.2 | Very high | 88.6 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 34% | 0.341 | 32% | 0.324 | S | S | . | . | trans | -106.9 | 151.3 | 170.7 | -64.3 | -94.3 | 0 | 0 | 0 | 110 | A56 W70 T71 N84 | A56-Y68 HydrophobicContact CB-CD1 4.2Å; A56-Y68 HydrophobicContact CB-CD2 3.87Å; A56-Y68 HydrophobicContact CB-CE1 3.87Å; A56-Y68 HydrophobicContact CB-CE2 3.49Å; A56-Y68 VanDerWaalsContact CB-CE2 3.49Å; A56-Y68 HydrophobicContact CB-CG 4.2Å; A56-Y68 VanDerWaalsContact CB-CZ 3.48Å; A56-Y68 PolarHBondContact N-OH 2.76Å; Y68-W70 PolarHBondContact O-N 3.39Å; Y68-T71 PolarHBondContact N-OG1 3.16Å; Y68-T71 WeakPolarHBondContact O-CB 3.18Å; Y68-T71 PolarHBondContact O-N 2.63Å; Y68-T71 PolarHBondContact O-OG1 3.19Å; Y68-N84 WeakPolarHBondContact CA-OD1 3.4Å; Y68-N84 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 69 | R | 88.4 | Confident | 88.2 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 136.6 | 172.7 | -178.7 | 69 | 154.3 | 157.6 | 0.2 | 109.6 | T71 D79 D80 L82 N84 V122 D123 | R69-T71 VanDerWaalsContact C-N 3.25Å; R69-T71 PolarHBondContact O-N 3.37Å; R69-D79 VanDerWaalsContact CD-O 3.24Å; R69-D79 WeakPolarHBondContact CD-O 3.28Å; R69-D79 VanDerWaalsContact CZ-O 3.27Å; R69-D79 PolarHBondContact NE-O 3.05Å; R69-D79 PolarHBondContact NH1-O 3.16Å; R69-D80 IonicContact CZ-OD1 2.78Å; R69-D80 IonicContact NH1-OD1 2.71Å; R69-D80 PolarHBondContact NH1-OD1 2.8Å; R69-D80 IonicContact NH2-OD1 2.92Å; R69-D80 PolarHBondContact NH2-OD1 3Å; R69-L82 HydrophobicContact CB-CB 4.03Å; R69-L82 WeakPolarHBondContact CB-O 3.4Å; R69-L82 WeakPolarHBondContact CD-O 3.29Å; R69-L82 VanDerWaalsContact CG-O 3.29Å; R69-L82 WeakPolarHBondContact CG-O 3.25Å; R69-L82 PolarHBondContact NE-O 3.19Å; R69-N84 PolarHBondContact N-OD1 2.97Å; R69-V122 HydrophobicContact CG-CG2 4.07Å; R69-D123 PolarHBondContact NH2-O 2.89Å |
| 70 | W | 83 | Confident | 87.8 | Confident | 166 Ų | 166 | 59.6 Ų | 59.6 | 63% | 0.629 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 14.3 | -172.3 | -41.2 | -71.7 | 0 | 0 | 0 | 116.6 | Y68 V122 | Y68-W70 PolarHBondContact O-N 3.39Å; W70-V122 HydrophobicContact CH2-CB 3.77Å; W70-V122 HydrophobicContact CH2-CG2 3.65Å; W70-V122 HydrophobicContact CZ2-CB 4.25Å; W70-V122 HydrophobicContact CZ2-CG2 3.78Å |
| 71 | T | 78.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 37% | 0.368 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -110 | 141.9 | 171.7 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | Y68 R69 | Y68-T71 PolarHBondContact N-OG1 3.16Å; Y68-T71 WeakPolarHBondContact O-CB 3.18Å; Y68-T71 PolarHBondContact O-N 2.63Å; Y68-T71 PolarHBondContact O-OG1 3.19Å; R69-T71 VanDerWaalsContact C-N 3.25Å; R69-T71 PolarHBondContact O-N 3.37Å |
| 72 | G | 74.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 73% | 0.732 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 77.7 | -160.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 73 | V | 79.8 | Confident | 87.1 | Confident | 127 Ų | 127 | 54.9 Ų | 54.9 | 77% | 0.77 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.1 | 131.8 | 173.5 | -177.4 | 0 | 0 | 0 | 0 | 109 | R67 | R67-V73 PolarHBondContact NH2-O 2.74Š|
| 74 | N | 81.3 | Confident | 86.9 | Confident | 104 Ų | 104 | 55 Ų | 55 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | trans | -70.8 | 131.4 | 178.1 | -177.6 | -68.2 | 0 | 0 | 0 | 110.6 | G76 D79 | N74-G76 WeakPolarHBondContact OD1-CA 3.34Å; N74-G76 PolarHBondContact OD1-N 2.8Å; N74-D79 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 75 | R | 83 | Confident | 86.8 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 18% | 0.177 | 29% | 0.288 | C | S | . | . | trans | -94.4 | 17.7 | -178.8 | -65.8 | -179.3 | -60.7 | 177.2 | -2.1 | 113.8 | E58 I78 D79 D443 | E58-R75 IonicContact OE1-NH2 3.94Å; E58-R75 IonicContact OE2-CZ 2.94Å; E58-R75 VanDerWaalsContact OE2-CZ 3.3Å; E58-R75 IonicContact OE2-NH1 2.95Å; E58-R75 PolarHBondContact OE2-NH1 2.85Å; E58-R75 VanDerWaalsContact OE2-NH1 3.15Å; E58-R75 IonicContact OE2-NH2 3.21Å; E58-R75 PolarHBondContact OE2-NH2 3.32Å; R75-I78 HydrophobicContact CB-CB 4.01Å; R75-I78 HydrophobicContact CB-CD1 4.5Å; R75-I78 HydrophobicContact CB-CG2 4.37Å; R75-D79 IonicContact CZ-OD1 2.78Å; R75-D79 PolarHBondContact N-OD2 2.81Å; R75-D79 IonicContact NE-OD1 3.62Å; R75-D79 PolarHBondContact NE-OD1 3.49Å; R75-D79 IonicContact NH2-OD1 3.43Å; R75-D79 PolarHBondContact NH2-OD1 3.14Å; R75-D443 IonicContact CZ-OD1 2.88Å; R75-D443 IonicContact NH1-OD1 2.99Å; R75-D443 PolarHBondContact NH1-OD1 3.45Å | ||
| 76 | G | 81.2 | Confident | 86.8 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | 68.1 | -144 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N74 I78 D79 | N74-G76 WeakPolarHBondContact OD1-CA 3.34Å; N74-G76 PolarHBondContact OD1-N 2.8Å; G76-I78 PolarHBondContact O-N 2.98Å; G76-D79 PolarHBondContact O-N 2.67Å; G76-D79 VanDerWaalsContact O-N 3.09Å |
| 77 | D | 77 | Confident | 86.9 | Confident | 74 Ų | 74 | 47 Ų | 47 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -54 | -25.3 | -177.5 | -59.5 | -48.6 | 0 | 0 | 0 | 113 | D79 D80 R187 S1280 | D77-D79 VanDerWaalsContact C-N 3.3Å; D77-D79 PolarHBondContact O-N 2.59Å; D77-D80 VanDerWaalsContact O-CB 3.27Å; D77-D80 WeakPolarHBondContact O-CB 3.45Å; D77-D80 PolarHBondContact O-N 3.42Å; D77-R187 IonicContact OD1-CZ 2.61Å; D77-R187 IonicContact OD1-NH2 3.25Å; D77-R187 PolarHBondContact OD1-NH2 3.24Å; D77-S1280 WeakPolarHBondContact OD2-CA 3.37Å; D77-S1280 PolarHBondContact OD2-N 3.33Å |
| 78 | I | 81.1 | Confident | 87.1 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 41% | 0.41 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -58.5 | -39.2 | 177.9 | -61 | 173.6 | 0 | 0 | 0 | 111.9 | R75 G76 D80 A81 | R75-I78 HydrophobicContact CB-CB 4.01Å; R75-I78 HydrophobicContact CB-CD1 4.5Å; R75-I78 HydrophobicContact CB-CG2 4.37Å; G76-I78 PolarHBondContact O-N 2.98Å; I78-D80 PolarHBondContact O-N 2.88Å; I78-D80 VanDerWaalsContact O-N 3.13Å; I78-A81 PolarHBondContact O-N 2.84Å |
| 79 | D | 88 | Confident | 87.4 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -71.3 | -5.1 | -179.8 | -76.8 | -29.4 | 0 | 0 | 0 | 112.8 | R67 R69 N74 R75 G76 D77 A81 L82 | R67-D79 IonicContact CZ-OD1 2.75Å; R67-D79 IonicContact CZ-OD2 2.69Å; R67-D79 IonicContact NE-OD1 3.26Å; R67-D79 PolarHBondContact NE-OD1 3.25Å; R67-D79 IonicContact NH2-OD1 3.44Å; R67-D79 PolarHBondContact NH2-OD1 3.25Å; R67-D79 IonicContact NH2-OD2 3.38Å; R67-D79 PolarHBondContact NH2-OD2 2.77Å; R69-D79 VanDerWaalsContact CD-O 3.24Å; R69-D79 WeakPolarHBondContact CD-O 3.28Å; R69-D79 VanDerWaalsContact CZ-O 3.27Å; R69-D79 PolarHBondContact NE-O 3.05Å; R69-D79 PolarHBondContact NH1-O 3.16Å; N74-D79 WeakPolarHBondContact CA-OD2 3.44Å; R75-D79 IonicContact CZ-OD1 2.78Å; R75-D79 PolarHBondContact N-OD2 2.81Å; R75-D79 IonicContact NE-OD1 3.62Å; R75-D79 PolarHBondContact NE-OD1 3.49Å; R75-D79 IonicContact NH2-OD1 3.43Å; R75-D79 PolarHBondContact NH2-OD1 3.14Å; G76-D79 PolarHBondContact O-N 2.67Å; G76-D79 VanDerWaalsContact O-N 3.09Å; D77-D79 VanDerWaalsContact C-N 3.3Å; D77-D79 PolarHBondContact O-N 2.59Å; D79-A81 PolarHBondContact O-N 3.42Å; D79-L82 HydrophobicContact CB-CD1 4.3Å; D79-L82 WeakPolarHBondContact O-CB 3.45Å; D79-L82 PolarHBondContact O-N 3.15Å; D79-L82 VanDerWaalsContact O-N 3.12Å; D79-L82 WeakPolarHBondContact OD1-CD1 3.18Å |
| 80 | D | 89.2 | Confident | 87.8 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -77.2 | -6.8 | 176.2 | -60.7 | -24 | 0 | 0 | 0 | 113.2 | R69 D77 I78 L82 V124 S125 R187 | R69-D80 IonicContact CZ-OD1 2.78Å; R69-D80 IonicContact NH1-OD1 2.71Å; R69-D80 PolarHBondContact NH1-OD1 2.8Å; R69-D80 IonicContact NH2-OD1 2.92Å; R69-D80 PolarHBondContact NH2-OD1 3Å; D77-D80 VanDerWaalsContact O-CB 3.27Å; D77-D80 WeakPolarHBondContact O-CB 3.45Å; D77-D80 PolarHBondContact O-N 3.42Å; I78-D80 PolarHBondContact O-N 2.88Å; I78-D80 VanDerWaalsContact O-N 3.13Å; D80-L82 VanDerWaalsContact C-N 3.28Å; D80-V124 CarbonylContact O-C 3.58Å; D80-V124 WeakPolarHBondContact O-CA 3.38Å; D80-S125 PolarHBondContact O-N 3.4Å; D80-R187 IonicContact OD2-CZ 3.73Å; D80-R187 IonicContact OD2-NE 3.24Å; D80-R187 PolarHBondContact OD2-NE 3.23Å; D80-R187 IonicContact OD2-NH2 2.62Å; D80-R187 PolarHBondContact OD2-NH2 3.01Å |
| 81 | A | 88.6 | Confident | 88.5 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -73.8 | -18.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I78 D79 F85 L87 E128 | I78-A81 PolarHBondContact O-N 2.84Å; D79-A81 PolarHBondContact O-N 3.42Å; A81-F85 VanDerWaalsContact O-CZ 3.26Å; A81-F85 WeakPolarHBondContact O-CZ 3.24Å; A81-L87 HydrophobicContact CB-CD2 4.1Å; A81-E128 HydrophobicContact CB-CB 3.8Å; A81-E128 HydrophobicContact CB-CG 3.99Å |
| 82 | L | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -91.5 | 108.7 | -174 | -46.6 | -177.6 | 0 | 0 | 0 | 111 | D57 E58 R67 R69 D79 D80 L87 | D57-L82 HydrophobicContact CB-CB 4.28Å; D57-L82 HydrophobicContact CB-CD2 3.67Å; D57-L82 HydrophobicContact CB-CG 4.45Å; D57-L82 WeakPolarHBondContact OD2-CA 3.28Å; D57-L82 WeakPolarHBondContact OD2-CB 3.39Å; E58-L82 HydrophobicContact CG-CD2 3.92Å; R67-L82 HydrophobicContact CG-CD1 4.08Å; R69-L82 HydrophobicContact CB-CB 4.03Å; R69-L82 WeakPolarHBondContact CB-O 3.4Å; R69-L82 WeakPolarHBondContact CD-O 3.29Å; R69-L82 VanDerWaalsContact CG-O 3.29Å; R69-L82 WeakPolarHBondContact CG-O 3.25Å; R69-L82 PolarHBondContact NE-O 3.19Å; D79-L82 HydrophobicContact CB-CD1 4.3Å; D79-L82 WeakPolarHBondContact O-CB 3.45Å; D79-L82 PolarHBondContact O-N 3.15Å; D79-L82 VanDerWaalsContact O-N 3.12Å; D79-L82 WeakPolarHBondContact OD1-CD1 3.18Å; D80-L82 VanDerWaalsContact C-N 3.28Å; L82-L87 HydrophobicContact CD2-CD2 3.97Å | ||
| 83 | G | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -106.5 | 7.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D57 F85 S120 | D57-G83 PolarHBondContact OD2-N 3.5Å; G83-F85 VanDerWaalsContact CA-CE1 3.49Å; G83-S120 PolarHBondContact O-OG 3.27Å | ||
| 84 | N | 93 | Very high | 91.3 | Very high | 64 Ų | 64 | 21 Ų | 21 | 34% | 0.342 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 56.5 | 46.1 | -166.5 | -62.5 | -44.3 | 0 | 0 | 0 | 112.9 | D57 Y68 R69 | D57-N84 WeakPolarHBondContact OD2-CA 3.23Å; D57-N84 PolarHBondContact OD2-N 3.3Å; Y68-N84 WeakPolarHBondContact CA-OD1 3.4Å; Y68-N84 WeakPolarHBondContact CB-OD1 3.37Å; R69-N84 PolarHBondContact N-OD1 2.97Å |
| 85 | F | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -121.2 | 16.2 | -176.4 | 48.1 | -137.1 | 0 | 0 | 0 | 113.9 | D57 A81 G83 L87 L90 V116 F118 V124 V133 L190 | D57-F85 PolarHBondContact OD1-N 2.96Å; A81-F85 VanDerWaalsContact O-CZ 3.26Å; A81-F85 WeakPolarHBondContact O-CZ 3.24Å; G83-F85 VanDerWaalsContact CA-CE1 3.49Å; F85-L87 HydrophobicContact CD2-CB 4.28Å; F85-L87 HydrophobicContact CE2-CB 3.93Å; F85-L87 HydrophobicContact CE2-CD1 3.99Å; F85-L87 HydrophobicContact CE2-CG 4.42Å; F85-L90 HydrophobicContact CD2-CD1 4.15Å; F85-L90 VanDerWaalsContact O-CD1 3.3Å; F85-L90 WeakPolarHBondContact O-CD1 3.32Å; F85-V116 HydrophobicContact CB-CG1 3.96Å; F85-V116 VanDerWaalsContact O-CG1 3.3Å; F85-V116 WeakPolarHBondContact O-CG1 3.31Å; F85-V116 WeakPolarHBondContact O-CG2 3.18Å; F85-F118 HydrophobicContact CB-CD1 4.06Å; F85-F118 HydrophobicContact CB-CE1 3.84Å; F85-F118 AromaticContact CD1-CD1 3.94Å; F85-F118 HydrophobicContact CD1-CD1 3.94Å; F85-F118 HydrophobicContact CD1-CE1 4.1Å; F85-F118 HydrophobicContact CG-CD1 4.31Å; F85-F118 HydrophobicContact CG-CE1 4.1Å; F85-V124 HydrophobicContact CE1-CG1 4.48Å; F85-V133 HydrophobicContact CD2-CG2 4.02Å; F85-V133 HydrophobicContact CE1-CG2 4.05Å; F85-V133 HydrophobicContact CE2-CG2 3.49Å; F85-V133 VanDerWaalsContact CE2-CG2 3.49Å; F85-V133 HydrophobicContact CZ-CG2 3.51Å; F85-L190 HydrophobicContact CD1-CD1 4.12Å; F85-L190 HydrophobicContact CE1-CD1 4.1Å |
| 86 | S | 96.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | trans | 64.9 | 49 | -178.8 | -46.8 | 0 | 0 | 0 | 0 | 113.4 | P55 D57 T88 M89 L90 | P55-S86 WeakPolarHBondContact CA-OG 3.16Å; P55-S86 WeakPolarHBondContact CB-OG 3.47Å; P55-S86 PolarHBondContact O-OG 3.22Å; D57-S86 PolarHBondContact OD1-N 2.93Å; S86-T88 PolarHBondContact O-N 3.35Å; S86-M89 WeakPolarHBondContact O-CA 3.27Å; S86-M89 VanDerWaalsContact O-CB 3.31Å; S86-M89 WeakPolarHBondContact O-CB 3.33Å; S86-M89 PolarHBondContact O-N 2.89Å; S86-L90 PolarHBondContact O-N 2.97Å | ||
| 87 | L | 97 | Very high | 93.6 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -40.3 | -62 | -177.2 | -176.5 | 54 | 0 | 0 | 0 | 114.5 | D57 A81 L82 F85 M89 L90 D91 R132 V133 | D57-L87 HydrophobicContact CB-CB 3.8Å; D57-L87 PolarHBondContact OD1-N 3.44Å; D57-L87 VanDerWaalsContact OD1-N 3.12Å; A81-L87 HydrophobicContact CB-CD2 4.1Å; L82-L87 HydrophobicContact CD2-CD2 3.97Å; F85-L87 HydrophobicContact CD2-CB 4.28Å; F85-L87 HydrophobicContact CE2-CB 3.93Å; F85-L87 HydrophobicContact CE2-CD1 3.99Å; F85-L87 HydrophobicContact CE2-CG 4.42Å; L87-M89 PolarHBondContact O-N 2.86Å; L87-M89 VanDerWaalsContact O-N 3.15Å; L87-L90 WeakPolarHBondContact O-CB 3.25Å; L87-L90 PolarHBondContact O-N 3.46Å; L87-D91 PolarHBondContact O-N 3.42Å; L87-R132 HydrophobicContact CD1-CB 3.68Å; L87-R132 HydrophobicContact CD1-CG 4.36Å; L87-V133 HydrophobicContact CD1-CG2 4.19Å |
| 88 | T | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.5 | -26.5 | -179 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | Y49 D57 S86 G92 F442 L447 | Y49-T88 HydrophobicContact CD1-CG2 3.87Å; Y49-T88 HydrophobicContact CD2-CG2 3.86Å; Y49-T88 HydrophobicContact CE1-CG2 4.1Å; Y49-T88 HydrophobicContact CE2-CG2 4.13Å; Y49-T88 HydrophobicContact CG-CG2 3.75Å; D57-T88 VanDerWaalsContact O-CB 3.31Å; D57-T88 WeakPolarHBondContact O-CB 3.49Å; D57-T88 PolarHBondContact O-N 2.87Å; D57-T88 PolarHBondContact O-OG1 3.27Å; S86-T88 PolarHBondContact O-N 3.35Å; T88-G92 PolarHBondContact O-N 2.98Å; T88-G92 VanDerWaalsContact O-N 3.13Å; T88-F442 HydrophobicContact CG2-CE1 4.14Å; T88-L447 HydrophobicContact CG2-CD1 3.59Å; T88-L447 HydrophobicContact CG2-CG 4.23Å |
| 89 | M | 97.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 4.9 Ų | 4.9 | 2% | 0.02 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -69.8 | -47 | 171.9 | -173.2 | 57.9 | 76.1 | 0 | 0 | 111.3 | Y46 Y49 F54 S86 L87 G92 L93 A108 V112 | Y46-M89 HydrophobicContact CE2-CE 4.16Å; Y46-M89 HydrophobicContact CE2-SD 3.96Å; Y49-M89 HydrophobicContact CE1-CB 3.83Å; Y49-M89 HydrophobicContact CE1-CE 4.09Å; Y49-M89 PolarHBondContact OH-N 3.41Å; F54-M89 HydrophobicContact CD2-CB 4.01Å; F54-M89 HydrophobicContact CD2-CE 3.6Å; F54-M89 HydrophobicContact CD2-CG 4.18Å; F54-M89 HydrophobicContact CE2-CB 4.02Å; F54-M89 HydrophobicContact CE2-CE 3.91Å; F54-M89 HydrophobicContact CE2-CG 3.88Å; F54-M89 HydrophobicContact CG-CE 4.07Å; S86-M89 WeakPolarHBondContact O-CA 3.27Å; S86-M89 VanDerWaalsContact O-CB 3.31Å; S86-M89 WeakPolarHBondContact O-CB 3.33Å; S86-M89 PolarHBondContact O-N 2.89Å; L87-M89 PolarHBondContact O-N 2.86Å; L87-M89 VanDerWaalsContact O-N 3.15Å; M89-G92 PolarHBondContact O-N 3.11Å; M89-L93 WeakPolarHBondContact O-CG 3.18Å; M89-L93 PolarHBondContact O-N 2.79Å; M89-A108 HydrophobicContact SD-CB 3.78Å; M89-V112 HydrophobicContact CB-CG2 4.37Å; M89-V112 HydrophobicContact CG-CG2 3.47Å; M89-V112 VanDerWaalsContact CG-CG2 3.47Å |
| 90 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.6 | -48.7 | -179.5 | -67.7 | 165.1 | 0 | 0 | 0 | 111.1 | F85 S86 L87 G92 L93 V112 V116 V133 L137 | F85-L90 HydrophobicContact CD2-CD1 4.15Å; F85-L90 VanDerWaalsContact O-CD1 3.3Å; F85-L90 WeakPolarHBondContact O-CD1 3.32Å; S86-L90 PolarHBondContact O-N 2.97Å; L87-L90 WeakPolarHBondContact O-CB 3.25Å; L87-L90 PolarHBondContact O-N 3.46Å; L90-G92 VanDerWaalsContact C-N 3.3Å; L90-G92 PolarHBondContact O-N 3.18Å; L90-L93 WeakPolarHBondContact O-CB 3.38Å; L90-L93 WeakPolarHBondContact O-CG 3.19Å; L90-L93 PolarHBondContact O-N 2.66Å; L90-V112 HydrophobicContact CD2-CG1 3.56Å; L90-V112 HydrophobicContact CD2-CG2 4.22Å; L90-V116 HydrophobicContact CD1-CG1 4.35Å; L90-V133 HydrophobicContact CD1-CG1 4.11Å; L90-V133 HydrophobicContact CD1-CG2 4.14Å; L90-L137 HydrophobicContact CD2-CD2 3.82Å; L90-L137 HydrophobicContact CD2-CG 4.26Å |
| 91 | D | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.9 | -40.1 | 177 | -117.6 | 22.6 | 0 | 0 | 0 | 112 | L87 L93 R132 S444 F445 A448 H478 | L87-D91 PolarHBondContact O-N 3.42Å; D91-L93 VanDerWaalsContact C-N 3.32Å; D91-L93 PolarHBondContact O-N 3.39Å; D91-R132 WeakPolarHBondContact OD1-CA 3.45Å; D91-R132 WeakPolarHBondContact OD1-CB 3.43Å; D91-S444 WeakPolarHBondContact OD2-CB 3Å; D91-S444 PolarHBondContact OD2-OG 3.01Å; D91-F445 PolarHBondContact OD2-N 3.48Å; D91-A448 HydrophobicContact CB-CB 3.87Å; D91-A448 WeakPolarHBondContact O-CB 3.46Å; D91-H478 PolarHBondContact O-CE1 3.34Å; D91-H478 IonicContact OD1-CE1 3.24Å; D91-H478 IonicContact OD1-NE2 3.43Å; D91-H478 PolarHBondContact OD1-NE2 2.83Å |
| 92 | G | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -75 | -12 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T88 M89 L90 S95 L96 | T88-G92 PolarHBondContact O-N 2.98Å; T88-G92 VanDerWaalsContact O-N 3.13Å; M89-G92 PolarHBondContact O-N 3.11Å; L90-G92 VanDerWaalsContact C-N 3.3Å; L90-G92 PolarHBondContact O-N 3.18Å; G92-S95 WeakPolarHBondContact O-CB 3.42Å; G92-S95 PolarHBondContact O-N 3.13Å; G92-L96 PolarHBondContact O-N 2.89Å |
| 93 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.4 | -55.7 | -169.3 | -73.2 | -175.8 | 0 | 0 | 0 | 113.3 | M89 L90 D91 S95 L96 F97 F105 A108 V109 V112 A140 L162 | M89-L93 WeakPolarHBondContact O-CG 3.18Å; M89-L93 PolarHBondContact O-N 2.79Å; L90-L93 WeakPolarHBondContact O-CB 3.38Å; L90-L93 WeakPolarHBondContact O-CG 3.19Å; L90-L93 PolarHBondContact O-N 2.66Å; D91-L93 VanDerWaalsContact C-N 3.32Å; D91-L93 PolarHBondContact O-N 3.39Å; L93-S95 PolarHBondContact O-N 3.14Å; L93-L96 WeakPolarHBondContact O-CB 3.23Å; L93-L96 PolarHBondContact O-N 3.42Å; L93-F97 PolarHBondContact O-N 3.08Å; L93-F105 HydrophobicContact CB-CE2 4.24Å; L93-F105 WeakPolarHBondContact O-CD2 3.47Å; L93-F105 VanDerWaalsContact O-CE2 3.29Å; L93-F105 WeakPolarHBondContact O-CE2 3.29Å; L93-A108 HydrophobicContact CD2-CB 3.63Å; L93-V109 HydrophobicContact CD1-CG2 4.45Å; L93-V109 HydrophobicContact CD2-CG2 4.16Å; L93-V112 HydrophobicContact CD1-CG2 4.35Å; L93-V112 HydrophobicContact CD2-CG2 4.3Å; L93-A140 HydrophobicContact CB-CB 3.64Å; L93-A140 HydrophobicContact CD1-CB 3.55Å; L93-A140 HydrophobicContact CG-CB 4.24Å; L93-L162 HydrophobicContact CD1-CD2 4.24Å |
| 94 | D | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -75.4 | -14.7 | -177.5 | 74.5 | -15.7 | 0 | 0 | 0 | 113.1 | F97 L98 K452 H478 L479 | D94-F97 WeakPolarHBondContact O-CB 3.28Å; D94-F97 PolarHBondContact O-N 3.29Å; D94-L98 WeakPolarHBondContact O-CG 3.25Å; D94-L98 PolarHBondContact O-N 2.89Å; D94-K452 WeakPolarHBondContact OD1-CE 3.34Å; D94-K452 IonicContact OD1-NZ 3.95Å; D94-K452 PolarHBondContact OD1-NZ 3.03Å; D94-K452 IonicContact OD2-NZ 3.51Å; D94-H478 IonicContact OD1-CE1 3.94Å; D94-H478 IonicContact OD1-ND1 2.93Å; D94-H478 PolarHBondContact OD1-ND1 3.36Å; D94-H478 VanDerWaalsContact OD1-ND1 3.15Å; D94-H478 VanDerWaalsContact OD2-CA 3.22Å; D94-H478 WeakPolarHBondContact OD2-CA 3.4Å; D94-H478 IonicContact OD2-CG 2.93Å; D94-H478 IonicContact OD2-ND1 2.68Å; D94-L479 HydrophobicContact CB-CD1 4.42Å; D94-L479 PolarHBondContact OD2-N 2.83Å |
| 95 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.2 | -45 | 168.8 | -47.7 | 0 | 0 | 0 | 0 | 112.2 | G92 L93 F97 L98 I99 L447 A448 K452 | G92-S95 WeakPolarHBondContact O-CB 3.42Å; G92-S95 PolarHBondContact O-N 3.13Å; L93-S95 PolarHBondContact O-N 3.14Å; S95-F97 PolarHBondContact O-N 3.06Å; S95-L98 PolarHBondContact O-N 3.46Å; S95-I99 WeakPolarHBondContact O-CB 3.41Å; S95-I99 VanDerWaalsContact O-CG1 3.29Å; S95-I99 WeakPolarHBondContact O-CG1 3.42Å; S95-I99 PolarHBondContact O-N 3.32Å; S95-L447 PolarHBondContact OG-O 2.9Å; S95-A448 WeakPolarHBondContact OG-CA 3.47Å; S95-K452 WeakPolarHBondContact OG-CE 3.36Å; S95-K452 PolarHBondContact OG-NZ 2.92Å |
| 96 | L | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56 | -42.2 | 171.8 | -74.7 | 163.1 | 0 | 0 | 0 | 111.2 | F42 Y46 G92 L93 G100 E101 E104 F105 A108 | F42-L96 HydrophobicContact CE1-CD2 3.75Å; F42-L96 HydrophobicContact CE1-CG 4.18Å; F42-L96 HydrophobicContact CZ-CD2 4.29Å; F42-L96 HydrophobicContact CZ-CG 4.21Å; Y46-L96 HydrophobicContact CD1-CD2 4.21Å; Y46-L96 HydrophobicContact CD2-CD1 4.46Å; Y46-L96 HydrophobicContact CD2-CD2 4.35Å; Y46-L96 HydrophobicContact CE1-CD2 4.1Å; Y46-L96 HydrophobicContact CE2-CD1 3.77Å; Y46-L96 HydrophobicContact CE2-CD2 4.24Å; Y46-L96 HydrophobicContact CE2-CG 4.34Å; Y46-L96 HydrophobicContact CG-CD2 4.34Å; G92-L96 PolarHBondContact O-N 2.89Å; L93-L96 WeakPolarHBondContact O-CB 3.23Å; L93-L96 PolarHBondContact O-N 3.42Å; L96-G100 PolarHBondContact O-N 3.38Å; L96-E101 HydrophobicContact CD2-CB 4.16Å; L96-E101 PolarHBondContact O-N 2.88Å; L96-E104 HydrophobicContact CD2-CB 4.36Å; L96-E104 HydrophobicContact CD2-CG 3.92Å; L96-F105 HydrophobicContact CB-CB 4.01Å; L96-F105 HydrophobicContact CB-CD2 4.29Å; L96-A108 HydrophobicContact CD1-CB 3.78Å |
| 97 | F | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -54.2 | 175.4 | 171.6 | -114.2 | 0 | 0 | 0 | 112 | L93 D94 S95 I99 G100 L102 F105 A143 I147 P465 I466 L479 | L93-F97 PolarHBondContact O-N 3.08Å; D94-F97 WeakPolarHBondContact O-CB 3.28Å; D94-F97 PolarHBondContact O-N 3.29Å; S95-F97 PolarHBondContact O-N 3.06Å; F97-I99 VanDerWaalsContact C-N 3.27Å; F97-I99 PolarHBondContact O-N 2.91Å; F97-G100 WeakPolarHBondContact O-CA 3.34Å; F97-G100 PolarHBondContact O-N 2.98Å; F97-L102 HydrophobicContact CD2-CD2 3.57Å; F97-L102 HydrophobicContact CE2-CD2 4.02Å; F97-F105 HydrophobicContact CB-CD2 4.21Å; F97-F105 HydrophobicContact CB-CE2 4.27Å; F97-F105 HydrophobicContact CB-CG 4.41Å; F97-A143 HydrophobicContact CB-CB 3.95Å; F97-A143 HydrophobicContact CD1-CB 3.4Å; F97-A143 VanDerWaalsContact CD1-CB 3.4Å; F97-A143 HydrophobicContact CD2-CB 4.03Å; F97-A143 HydrophobicContact CE1-CB 3.79Å; F97-A143 HydrophobicContact CE2-CB 4.38Å; F97-A143 HydrophobicContact CG-CB 3.52Å; F97-A143 HydrophobicContact CZ-CB 4.25Å; F97-I147 HydrophobicContact CD2-CD1 3.9Å; F97-I147 HydrophobicContact CD2-CG1 4.04Å; F97-I147 HydrophobicContact CE2-CD1 3.99Å; F97-I147 HydrophobicContact CE2-CG1 3.57Å; F97-P465 HydrophobicContact CD2-CB 4.41Å; F97-P465 HydrophobicContact CD2-CG 4.41Å; F97-P465 HydrophobicContact CE2-CB 3.67Å; F97-P465 HydrophobicContact CE2-CG 4.14Å; F97-P465 HydrophobicContact CZ-CB 3.79Å; F97-P465 WeakPolarHBondContact O-CG 3.19Å; F97-I466 HydrophobicContact CE1-CD1 4.27Å; F97-I466 HydrophobicContact CE1-CG1 4.22Å; F97-I466 HydrophobicContact CE1-CG2 3.95Å; F97-I466 HydrophobicContact CZ-CG2 3.81Å; F97-L479 HydrophobicContact CD1-CD1 4.1Å; F97-L479 HydrophobicContact CE1-CD1 4.25Å |
| 98 | L | 96.6 | Very high | 97 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -33.1 | -178.9 | -79.4 | 171.8 | 0 | 0 | 0 | 113.8 | D94 S95 G100 K452 Y455 L456 I464 I466 F473 L479 | D94-L98 WeakPolarHBondContact O-CG 3.25Å; D94-L98 PolarHBondContact O-N 2.89Å; S95-L98 PolarHBondContact O-N 3.46Å; L98-G100 PolarHBondContact O-N 3.27Å; L98-K452 HydrophobicContact CD1-CD 3.66Å; L98-K452 HydrophobicContact CD1-CG 3.78Å; L98-Y455 WeakPolarHBondContact O-CE1 3.44Å; L98-L456 HydrophobicContact CD2-CD2 4.45Å; L98-I464 HydrophobicContact CD2-CG2 3.61Å; L98-I466 HydrophobicContact CD2-CD1 3.98Å; L98-I466 HydrophobicContact CD2-CG1 4.02Å; L98-F473 HydrophobicContact CD1-CE1 4.2Å; L98-L479 HydrophobicContact CD1-CD1 4.01Å; L98-L479 HydrophobicContact CD1-CD2 4.39Å; L98-L479 HydrophobicContact CD1-CG 4.25Å; L98-L479 HydrophobicContact CD2-CD1 4.02Å; L98-L479 HydrophobicContact CG-CD1 3.92Å |
| 99 | I | 96.1 | Very high | 97 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -3.2 | 178.3 | -65.5 | 170.9 | 0 | 0 | 0 | 111.7 | K39 F42 S95 F97 E101 Y455 | K39-I99 HydrophobicContact CB-CG2 4.21Å; K39-I99 HydrophobicContact CD-CG2 3.64Å; K39-I99 HydrophobicContact CG-CG2 3.64Å; K39-I99 PolarHBondContact NZ-O 3.48Å; F42-I99 HydrophobicContact CB-CD1 3.94Å; F42-I99 HydrophobicContact CD1-CD1 3.82Å; F42-I99 HydrophobicContact CD2-CD1 3.4Å; F42-I99 HydrophobicContact CE1-CD1 4.2Å; F42-I99 HydrophobicContact CE2-CD1 3.8Å; F42-I99 HydrophobicContact CG-CD1 3.41Å; F42-I99 VanDerWaalsContact CG-CD1 3.41Å; F42-I99 HydrophobicContact CZ-CD1 4.2Å; S95-I99 WeakPolarHBondContact O-CB 3.41Å; S95-I99 VanDerWaalsContact O-CG1 3.29Å; S95-I99 WeakPolarHBondContact O-CG1 3.42Å; S95-I99 PolarHBondContact O-N 3.32Å; F97-I99 VanDerWaalsContact C-N 3.27Å; F97-I99 PolarHBondContact O-N 2.91Å; I99-E101 HydrophobicContact CG2-CG 4.45Å; I99-Y455 HydrophobicContact CB-CE2 4.48Å; I99-Y455 HydrophobicContact CG1-CD1 3.98Å; I99-Y455 HydrophobicContact CG1-CD2 4.03Å; I99-Y455 HydrophobicContact CG1-CE1 4.37Å; I99-Y455 HydrophobicContact CG1-CE2 4.41Å; I99-Y455 HydrophobicContact CG1-CG 3.8Å; I99-Y455 HydrophobicContact CG2-CD2 4.31Å; I99-Y455 HydrophobicContact CG2-CE2 4.08Å |
| 100 | G | 94.2 | Very high | 97 | Very high | 31 Ų | 31 | 21 Ų | 21 | 32% | 0.32 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 11.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L96 F97 L98 L102 | L96-G100 PolarHBondContact O-N 3.38Å; F97-G100 WeakPolarHBondContact O-CA 3.34Å; F97-G100 PolarHBondContact O-N 2.98Å; L98-G100 PolarHBondContact O-N 3.27Å; G100-L102 PolarHBondContact O-N 2.96Å |
| 101 | E | 96.2 | Very high | 96.9 | Very high | 54 Ų | 54 | 22.1 Ų | 22.1 | 25% | 0.252 | 13% | 0.125 | S | C | . | . | trans | -82.7 | 55.7 | 178.8 | -71.3 | -57.9 | 138.5 | 0 | 0 | 111.4 | K39 L43 L96 I99 D103 E104 F105 | K39-E101 WeakPolarHBondContact CE-OE1 3.48Å; K39-E101 IonicContact NZ-OE1 2.65Å; K39-E101 PolarHBondContact NZ-OE1 2.96Å; L43-E101 HydrophobicContact CD2-CG 4.28Å; L96-E101 HydrophobicContact CD2-CB 4.16Å; L96-E101 PolarHBondContact O-N 2.88Å; I99-E101 HydrophobicContact CG2-CG 4.45Å; E101-D103 PolarHBondContact O-N 2.86Å; E101-E104 HydrophobicContact CB-CB 4.36Å; E101-E104 PolarHBondContact O-N 2.64Å; E101-F105 WeakPolarHBondContact O-CB 3.39Å; E101-F105 PolarHBondContact O-N 2.82Å | ||
| 102 | L | 94.9 | Very high | 96.9 | Very high | 46 Ų | 46 | 22.1 Ų | 22.1 | 24% | 0.241 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.8 | -31.5 | -171.1 | -56.2 | -177.3 | 0 | 0 | 0 | 113.4 | F97 G100 E106 I147 R154 P465 | F97-L102 HydrophobicContact CD2-CD2 3.57Å; F97-L102 HydrophobicContact CE2-CD2 4.02Å; G100-L102 PolarHBondContact O-N 2.96Å; L102-E106 WeakPolarHBondContact O-CB 3.45Å; L102-E106 PolarHBondContact O-N 3.29Å; L102-I147 HydrophobicContact CD2-CD1 4.19Å; L102-I147 HydrophobicContact CD2-CG1 4.5Å; L102-R154 PolarHBondContact O-NH2 3.44Å; L102-P465 HydrophobicContact CD2-CG 4.24Å |
| 103 | D | 96.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 23.5 Ų | 23.5 | 60% | 0.599 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -72.8 | -44.2 | -180 | -70.7 | 2.7 | 0 | 0 | 0 | 110.9 | E101 E106 V107 R154 | E101-D103 PolarHBondContact O-N 2.86Å; D103-E106 PolarHBondContact O-N 3.17Å; D103-V107 WeakPolarHBondContact O-CG2 3.42Å; D103-V107 PolarHBondContact O-N 3.17Å; D103-V107 VanDerWaalsContact O-N 3.14Å; D103-R154 VanDerWaalsContact CA-NH2 3.31Å; D103-R154 IonicContact OD1-CZ 3.62Å; D103-R154 IonicContact OD1-NH1 3.42Å; D103-R154 PolarHBondContact OD1-NH1 2.98Å; D103-R154 IonicContact OD1-NH2 3.86Å; D103-R154 PolarHBondContact OD1-NH2 2.75Å |
| 104 | E | 96.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 32 Ų | 32 | 16% | 0.159 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.7 | -36.8 | 174.7 | -176.3 | 57.5 | -149.1 | 0 | 0 | 111.6 | Y46 K50 L96 E101 E106 V107 A108 | Y46-E104 HydrophobicContact CD1-CG 4.47Å; Y46-E104 HydrophobicContact CE1-CG 3.5Å; Y46-E104 VanDerWaalsContact CE1-CG 3.5Å; Y46-E104 VanDerWaalsContact CE1-OE1 3.31Å; Y46-E104 WeakPolarHBondContact CE1-OE1 3.35Å; Y46-E104 PolarHBondContact OH-OE1 3.08Å; K50-E104 WeakPolarHBondContact CD-OE1 3.18Å; K50-E104 WeakPolarHBondContact CE-OE1 3.44Å; K50-E104 IonicContact NZ-OE1 3.95Å; K50-E104 PolarHBondContact NZ-OE1 3.04Å; K50-E104 IonicContact NZ-OE2 2.81Å; K50-E104 PolarHBondContact NZ-OE2 3.48Å; L96-E104 HydrophobicContact CD2-CB 4.36Å; L96-E104 HydrophobicContact CD2-CG 3.92Å; E101-E104 HydrophobicContact CB-CB 4.36Å; E101-E104 PolarHBondContact O-N 2.64Å; E104-E106 VanDerWaalsContact C-N 3.32Å; E104-E106 PolarHBondContact O-N 2.62Å; E104-V107 CarbonylContact O-C 3.07Å; E104-V107 WeakPolarHBondContact O-CA 3.48Å; E104-V107 WeakPolarHBondContact O-CB 3.5Å; E104-V107 PolarHBondContact O-N 3.28Å; E104-V107 VanDerWaalsContact O-N 3.08Å; E104-A108 WeakPolarHBondContact O-CB 3.31Å; E104-A108 PolarHBondContact O-N 2.84Å |
| 105 | F | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.7 | -45.6 | 169.5 | 174.6 | -108.5 | 0 | 0 | 0 | 111.9 | L93 L96 F97 E101 V107 A108 V109 A140 A143 V144 I147 M155 | L93-F105 HydrophobicContact CB-CE2 4.24Å; L93-F105 WeakPolarHBondContact O-CD2 3.47Å; L93-F105 VanDerWaalsContact O-CE2 3.29Å; L93-F105 WeakPolarHBondContact O-CE2 3.29Å; L96-F105 HydrophobicContact CB-CB 4.01Å; L96-F105 HydrophobicContact CB-CD2 4.29Å; F97-F105 HydrophobicContact CB-CD2 4.21Å; F97-F105 HydrophobicContact CB-CE2 4.27Å; F97-F105 HydrophobicContact CB-CG 4.41Å; E101-F105 WeakPolarHBondContact O-CB 3.39Å; E101-F105 PolarHBondContact O-N 2.82Å; F105-V107 VanDerWaalsContact C-N 3.27Å; F105-V107 PolarHBondContact O-N 3.35Å; F105-A108 PolarHBondContact O-N 2.94Å; F105-V109 HydrophobicContact CD2-CG2 4.13Å; F105-V109 HydrophobicContact CE1-CG2 4.21Å; F105-V109 HydrophobicContact CE2-CG2 3.75Å; F105-V109 HydrophobicContact CZ-CG2 3.8Å; F105-V109 WeakPolarHBondContact O-CG2 3.35Å; F105-V109 PolarHBondContact O-N 3.45Å; F105-A140 HydrophobicContact CE2-CB 4.33Å; F105-A143 HydrophobicContact CE1-CB 4.36Å; F105-A143 HydrophobicContact CE2-CB 4.38Å; F105-A143 HydrophobicContact CZ-CB 3.76Å; F105-V144 HydrophobicContact CE1-CG2 3.72Å; F105-V144 HydrophobicContact CZ-CG2 3.81Å; F105-I147 HydrophobicContact CD1-CD1 3.72Å; F105-I147 HydrophobicContact CE1-CD1 3.58Å; F105-M155 HydrophobicContact CD1-CE 4.46Å; F105-M155 HydrophobicContact CD1-SD 4.08Å; F105-M155 HydrophobicContact CE1-CE 4.13Å; F105-M155 HydrophobicContact CE1-SD 3.93Å |
| 106 | E | 97.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 15% | 0.145 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -29.4 | 176.8 | -178.9 | 168.7 | 166.2 | 0 | 0 | 112.4 | L102 D103 E104 K110 R154 M155 W157 | L102-E106 WeakPolarHBondContact O-CB 3.45Å; L102-E106 PolarHBondContact O-N 3.29Å; D103-E106 PolarHBondContact O-N 3.17Å; E104-E106 VanDerWaalsContact C-N 3.32Å; E104-E106 PolarHBondContact O-N 2.62Å; E106-K110 HydrophobicContact CG-CD 4.39Å; E106-K110 WeakPolarHBondContact O-CB 3.28Å; E106-K110 VanDerWaalsContact O-CD 3.31Å; E106-K110 WeakPolarHBondContact O-CD 3.36Å; E106-K110 WeakPolarHBondContact O-CG 3.38Å; E106-K110 PolarHBondContact O-N 3.17Å; E106-K110 VanDerWaalsContact OE1-CE 3.29Å; E106-K110 WeakPolarHBondContact OE1-CE 3.44Å; E106-K110 IonicContact OE1-NZ 2.72Å; E106-K110 PolarHBondContact OE1-NZ 2.97Å; E106-R154 IonicContact OE2-NE 2.67Å; E106-R154 IonicContact OE2-NH2 3.84Å; E106-M155 HydrophobicContact CB-CE 4.34Å; E106-M155 HydrophobicContact CB-CG 4.25Å; E106-M155 HydrophobicContact CB-SD 4.16Å; E106-M155 VanDerWaalsContact CD-CG 3.49Å; E106-M155 HydrophobicContact CG-CE 4.23Å; E106-M155 HydrophobicContact CG-CG 3.85Å; E106-M155 HydrophobicContact CG-SD 4.3Å; E106-M155 WeakPolarHBondContact OE2-CG 3.49Å; E106-W157 HydrophobicContact CG-CZ2 4.14Å; E106-W157 PolarHBondContact OE1-NE1 3.29Å |
| 107 | V | 97.1 | Very high | 96.2 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 45% | 0.448 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71 | -46.1 | 170.9 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | D103 E104 F105 K110 A111 | D103-V107 WeakPolarHBondContact O-CG2 3.42Å; D103-V107 PolarHBondContact O-N 3.17Å; D103-V107 VanDerWaalsContact O-N 3.14Å; E104-V107 CarbonylContact O-C 3.07Å; E104-V107 WeakPolarHBondContact O-CA 3.48Å; E104-V107 WeakPolarHBondContact O-CB 3.5Å; E104-V107 PolarHBondContact O-N 3.28Å; E104-V107 VanDerWaalsContact O-N 3.08Å; F105-V107 VanDerWaalsContact C-N 3.27Å; F105-V107 PolarHBondContact O-N 3.35Å; V107-K110 CarbonylContact O-C 3.48Å; V107-K110 WeakPolarHBondContact O-CB 3.48Å; V107-K110 PolarHBondContact O-N 3.38Å; V107-A111 PolarHBondContact O-N 2.88Å |
| 108 | A | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M89 L93 L96 E104 F105 K110 A111 V112 | M89-A108 HydrophobicContact SD-CB 3.78Å; L93-A108 HydrophobicContact CD2-CB 3.63Å; L96-A108 HydrophobicContact CD1-CB 3.78Å; E104-A108 WeakPolarHBondContact O-CB 3.31Å; E104-A108 PolarHBondContact O-N 2.84Å; F105-A108 PolarHBondContact O-N 2.94Å; A108-K110 VanDerWaalsContact C-N 3.3Å; A108-K110 PolarHBondContact O-N 3.42Å; A108-A111 WeakPolarHBondContact O-CA 3.44Å; A108-A111 WeakPolarHBondContact O-CB 3.42Å; A108-A111 PolarHBondContact O-N 3.09Å; A108-V112 WeakPolarHBondContact O-CG2 3.39Å; A108-V112 PolarHBondContact O-N 2.95Å |
| 109 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -36.4 | 175.6 | 177 | 0 | 0 | 0 | 0 | 111.5 | L93 F105 A111 T113 M155 W157 Y158 L162 | L93-V109 HydrophobicContact CD1-CG2 4.45Å; L93-V109 HydrophobicContact CD2-CG2 4.16Å; F105-V109 HydrophobicContact CD2-CG2 4.13Å; F105-V109 HydrophobicContact CE1-CG2 4.21Å; F105-V109 HydrophobicContact CE2-CG2 3.75Å; F105-V109 HydrophobicContact CZ-CG2 3.8Å; F105-V109 WeakPolarHBondContact O-CG2 3.35Å; F105-V109 PolarHBondContact O-N 3.45Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-T113 HydrophobicContact CG1-CG2 4.45Å; V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 WeakPolarHBondContact O-CG2 3.2Å; V109-T113 PolarHBondContact O-N 3.4Å; V109-T113 VanDerWaalsContact O-N 3.13Å; V109-T113 PolarHBondContact O-OG1 3.39Å; V109-M155 HydrophobicContact CB-CE 4.21Å; V109-M155 HydrophobicContact CG1-CE 4.23Å; V109-M155 HydrophobicContact CG2-CE 4.42Å; V109-W157 HydrophobicContact CG1-CH2 4.05Å; V109-Y158 HydrophobicContact CG1-CD2 4.38Å; V109-Y158 HydrophobicContact CG1-CE2 4.31Å; V109-L162 HydrophobicContact CG1-CD1 3.74Å; V109-L162 HydrophobicContact CG1-CD2 4.25Å; V109-L162 HydrophobicContact CG1-CG 4.05Å; V109-L162 HydrophobicContact CG2-CD1 4.15Å |
| 110 | K | 97.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 24% | 0.239 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.9 | -27.1 | 172.3 | -73.4 | 170.1 | -168.8 | 166.5 | 0 | 113.2 | E106 V107 A108 R114 W157 | E106-K110 HydrophobicContact CG-CD 4.39Å; E106-K110 WeakPolarHBondContact O-CB 3.28Å; E106-K110 VanDerWaalsContact O-CD 3.31Å; E106-K110 WeakPolarHBondContact O-CD 3.36Å; E106-K110 WeakPolarHBondContact O-CG 3.38Å; E106-K110 PolarHBondContact O-N 3.17Å; E106-K110 VanDerWaalsContact OE1-CE 3.29Å; E106-K110 WeakPolarHBondContact OE1-CE 3.44Å; E106-K110 IonicContact OE1-NZ 2.72Å; E106-K110 PolarHBondContact OE1-NZ 2.97Å; V107-K110 CarbonylContact O-C 3.48Å; V107-K110 WeakPolarHBondContact O-CB 3.48Å; V107-K110 PolarHBondContact O-N 3.38Å; A108-K110 VanDerWaalsContact C-N 3.3Å; A108-K110 PolarHBondContact O-N 3.42Å; K110-R114 WeakPolarHBondContact O-CD 3.4Å; K110-R114 WeakPolarHBondContact O-CG 3.47Å; K110-R114 PolarHBondContact O-NE 2.8Å; K110-W157 HydrophobicContact CD-CZ2 4.04Å; K110-W157 HydrophobicContact CG-CH2 3.54Å; K110-W157 HydrophobicContact CG-CZ2 3.47Å; K110-W157 VanDerWaalsContact CG-CZ2 3.47Å; K110-W157 HydrophobicContact CG-CZ3 4.31Å |
| 111 | A | 96.2 | Very high | 95.8 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 19% | 0.19 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.4 | -56.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F54 V107 A108 V109 T113 R114 T115 | F54-A111 HydrophobicContact CE1-CB 4.3Å; F54-A111 HydrophobicContact CZ-CB 3.89Å; V107-A111 PolarHBondContact O-N 2.88Å; A108-A111 WeakPolarHBondContact O-CA 3.44Å; A108-A111 WeakPolarHBondContact O-CB 3.42Å; A108-A111 PolarHBondContact O-N 3.09Å; V109-A111 VanDerWaalsContact C-N 3.34Å; A111-T113 PolarHBondContact O-N 2.84Å; A111-R114 WeakPolarHBondContact O-CA 3.47Å; A111-R114 WeakPolarHBondContact O-CB 3.37Å; A111-R114 PolarHBondContact O-N 3.42Å; A111-T115 PolarHBondContact O-N 2.93Å; A111-T115 PolarHBondContact O-OG1 3.17Å; A111-T115 VanDerWaalsContact O-OG1 3.05Å |
| 112 | V | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -50.1 | -55.5 | -180 | 165.3 | 0 | 0 | 0 | 0 | 112.2 | M89 L90 L93 A108 R114 T115 V116 L162 M165 | M89-V112 HydrophobicContact CB-CG2 4.37Å; M89-V112 HydrophobicContact CG-CG2 3.47Å; M89-V112 VanDerWaalsContact CG-CG2 3.47Å; L90-V112 HydrophobicContact CD2-CG1 3.56Å; L90-V112 HydrophobicContact CD2-CG2 4.22Å; L93-V112 HydrophobicContact CD1-CG2 4.35Å; L93-V112 HydrophobicContact CD2-CG2 4.3Å; A108-V112 WeakPolarHBondContact O-CG2 3.39Å; A108-V112 PolarHBondContact O-N 2.95Å; V112-R114 PolarHBondContact O-N 2.92Å; V112-R114 VanDerWaalsContact O-N 3.14Å; V112-T115 PolarHBondContact O-N 3.49Å; V112-V116 HydrophobicContact CB-CG2 4.38Å; V112-V116 HydrophobicContact CG1-CB 4.34Å; V112-V116 HydrophobicContact CG1-CG2 4.14Å; V112-V116 HydrophobicContact CG2-CG2 4.43Å; V112-V116 WeakPolarHBondContact O-CB 3.25Å; V112-V116 PolarHBondContact O-N 3.34Å; V112-L162 HydrophobicContact CG1-CD2 4.07Å; V112-M165 HydrophobicContact CG1-CE 3.77Å; V112-M165 HydrophobicContact CG1-SD 4.3Å |
| 113 | T | 96.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 17% | 0.172 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -29.9 | -179.7 | 49.5 | 0 | 0 | 0 | 0 | 113 | V109 A111 R117 E161 L162 M165 | V109-T113 HydrophobicContact CG1-CG2 4.45Å; V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 WeakPolarHBondContact O-CG2 3.2Å; V109-T113 PolarHBondContact O-N 3.4Å; V109-T113 VanDerWaalsContact O-N 3.13Å; V109-T113 PolarHBondContact O-OG1 3.39Å; A111-T113 PolarHBondContact O-N 2.84Å; T113-R117 PolarHBondContact O-NH1 2.96Å; T113-E161 HydrophobicContact CG2-CB 3.69Å; T113-L162 HydrophobicContact CG2-CD2 4.3Å; T113-M165 HydrophobicContact CG2-SD 4.11Å |
| 114 | R | 95.2 | Very high | 95.5 | Very high | 178 Ų | 178 | 41 Ų | 41 | 67% | 0.672 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -82.9 | -39.8 | 177.9 | -69.1 | 174.3 | -170.7 | 159.2 | -0.7 | 113.3 | K110 A111 V112 R117 | K110-R114 WeakPolarHBondContact O-CD 3.4Å; K110-R114 WeakPolarHBondContact O-CG 3.47Å; K110-R114 PolarHBondContact O-NE 2.8Å; A111-R114 WeakPolarHBondContact O-CA 3.47Å; A111-R114 WeakPolarHBondContact O-CB 3.37Å; A111-R114 PolarHBondContact O-N 3.42Å; V112-R114 PolarHBondContact O-N 2.92Å; V112-R114 VanDerWaalsContact O-N 3.14Å; R114-R117 PolarHBondContact O-NH1 2.9Å; R114-R117 PolarHBondContact O-NH2 3.04Å |
| 115 | T | 92.7 | Very high | 95.5 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 43% | 0.429 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -99.1 | -40.1 | -169.6 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | F54 A111 V112 | F54-T115 HydrophobicContact CZ-CG2 4.32Å; A111-T115 PolarHBondContact O-N 2.93Å; A111-T115 PolarHBondContact O-OG1 3.17Å; A111-T115 VanDerWaalsContact O-OG1 3.05Å; V112-T115 PolarHBondContact O-N 3.49Å |
| 116 | V | 95.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | trans | -78 | 134.4 | -168.1 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | F85 L90 V112 F118 M165 | F85-V116 HydrophobicContact CB-CG1 3.96Å; F85-V116 VanDerWaalsContact O-CG1 3.3Å; F85-V116 WeakPolarHBondContact O-CG1 3.31Å; F85-V116 WeakPolarHBondContact O-CG2 3.18Å; L90-V116 HydrophobicContact CD1-CG1 4.35Å; V112-V116 HydrophobicContact CB-CG2 4.38Å; V112-V116 HydrophobicContact CG1-CB 4.34Å; V112-V116 HydrophobicContact CG1-CG2 4.14Å; V112-V116 HydrophobicContact CG2-CG2 4.43Å; V112-V116 WeakPolarHBondContact O-CB 3.25Å; V112-V116 PolarHBondContact O-N 3.34Å; V116-F118 HydrophobicContact CG1-CD1 4.48Å; V116-F118 HydrophobicContact CG1-CE1 3.69Å; V116-F118 HydrophobicContact CG1-CZ 3.72Å; V116-M165 HydrophobicContact CB-CE 3.82Å; V116-M165 HydrophobicContact CG1-CE 3.79Å | ||
| 117 | R | 94.9 | Very high | 95.4 | Very high | 145 Ų | 145 | 40.1 Ų | 40.1 | 55% | 0.547 | 20% | 0.2 | S | C | . | . | trans | -142 | 141.8 | 177.6 | -58.5 | -65.3 | 178.6 | -96.1 | -6.7 | 109.6 | T113 R114 | T113-R117 PolarHBondContact O-NH1 2.96Å; R114-R117 PolarHBondContact O-NH1 2.9Å; R114-R117 PolarHBondContact O-NH2 3.04Å | ||
| 118 | F | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | trans | -103.4 | 3.8 | 178.2 | -51 | -58.9 | 0 | 0 | 0 | 113.5 | F85 V116 S120 V133 L137 M165 D168 I169 R172 L190 | F85-F118 HydrophobicContact CB-CD1 4.06Å; F85-F118 HydrophobicContact CB-CE1 3.84Å; F85-F118 AromaticContact CD1-CD1 3.94Å; F85-F118 HydrophobicContact CD1-CD1 3.94Å; F85-F118 HydrophobicContact CD1-CE1 4.1Å; F85-F118 HydrophobicContact CG-CD1 4.31Å; F85-F118 HydrophobicContact CG-CE1 4.1Å; V116-F118 HydrophobicContact CG1-CD1 4.48Å; V116-F118 HydrophobicContact CG1-CE1 3.69Å; V116-F118 HydrophobicContact CG1-CZ 3.72Å; F118-S120 PolarHBondContact O-N 3.27Å; F118-S120 VanDerWaalsContact O-N 3.09Å; F118-V133 HydrophobicContact CD1-CG1 4.44Å; F118-V133 HydrophobicContact CE1-CG1 3.54Å; F118-V133 HydrophobicContact CZ-CG1 3.63Å; F118-L137 HydrophobicContact CE2-CD1 3.99Å; F118-L137 HydrophobicContact CZ-CD1 3.9Å; F118-M165 HydrophobicContact CE2-CB 4.14Å; F118-M165 HydrophobicContact CE2-CE 4.06Å; F118-M165 HydrophobicContact CZ-CE 4.1Å; F118-D168 HydrophobicContact CD2-CB 4.4Å; F118-I169 HydrophobicContact CB-CD1 3.98Å; F118-I169 HydrophobicContact CD1-CD1 3.9Å; F118-I169 HydrophobicContact CD2-CB 3.88Å; F118-I169 HydrophobicContact CD2-CD1 4.39Å; F118-I169 HydrophobicContact CE2-CB 4.06Å; F118-I169 HydrophobicContact CG-CB 4.2Å; F118-I169 HydrophobicContact CG-CD1 3.83Å; F118-I169 HydrophobicContact CG-CG1 4.46Å; F118-R172 WeakPolarHBondContact O-CD 3.32Å; F118-R172 PolarHBondContact O-NE 2.88Å; F118-R172 PolarHBondContact O-NH1 3.37Å; F118-L190 WeakPolarHBondContact O-CB 3.31Å | ||
| 119 | D | 94.1 | Very high | 95.5 | Very high | 88 Ų | 88 | 38.7 Ų | 38.7 | 47% | 0.471 | 19% | 0.188 | S | C | . | . | trans | -84.6 | 62.5 | 170.9 | -172.3 | 21.4 | 0 | 0 | 0 | 111.7 | R172 R191 | D119-R172 IonicContact OD1-NH1 3.95Å; D119-R191 PolarHBondContact O-NH2 3.12Å; D119-R191 WeakPolarHBondContact OD1-CG 3.37Å; D119-R191 IonicContact OD1-CZ 3.43Å; D119-R191 IonicContact OD1-NE 2.9Å; D119-R191 PolarHBondContact OD1-NE 3.17Å; D119-R191 IonicContact OD1-NH2 2.77Å | ||
| 120 | S | 90.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | trans | -111.8 | 142.4 | 174.4 | 40.5 | 0 | 0 | 0 | 0 | 110.7 | G83 F118 V122 L190 R191 | G83-S120 PolarHBondContact O-OG 3.27Å; F118-S120 PolarHBondContact O-N 3.27Å; F118-S120 VanDerWaalsContact O-N 3.09Å; S120-V122 VanDerWaalsContact C-N 3.32Å; S120-V122 PolarHBondContact O-N 3.41Å; S120-V122 VanDerWaalsContact O-N 3.12Å; S120-V122 VanDerWaalsContact OG-CG1 3.27Å; S120-V122 WeakPolarHBondContact OG-CG1 3.46Å; S120-L190 WeakPolarHBondContact O-CB 3.47Å; S120-R191 WeakPolarHBondContact O-CB 3.3Å; S120-R191 PolarHBondContact O-N 2.72Å | ||
| 121 | D | 93.6 | Very high | 95.5 | Very high | 86 Ų | 86 | 36.3 Ų | 36.3 | 46% | 0.46 | 18% | 0.178 | S | C | . | . | trans | -84.3 | 82.9 | 171.8 | -171.1 | 10.4 | 0 | 0 | 0 | 108.3 | N189 H192 | D121-N189 PolarHBondContact OD1-ND2 2.93Å; D121-N189 PolarHBondContact OD1-OD1 2.93Å; D121-H192 IonicContact OD1-CD2 3.92Å | ||
| 122 | V | 92.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | trans | -147.9 | 132.9 | -175.4 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | R69 W70 S120 V124 N189 L190 | R69-V122 HydrophobicContact CG-CG2 4.07Å; W70-V122 HydrophobicContact CH2-CB 3.77Å; W70-V122 HydrophobicContact CH2-CG2 3.65Å; W70-V122 HydrophobicContact CZ2-CB 4.25Å; W70-V122 HydrophobicContact CZ2-CG2 3.78Å; S120-V122 VanDerWaalsContact C-N 3.32Å; S120-V122 PolarHBondContact O-N 3.41Å; S120-V122 VanDerWaalsContact O-N 3.12Å; S120-V122 VanDerWaalsContact OG-CG1 3.27Å; S120-V122 WeakPolarHBondContact OG-CG1 3.46Å; V122-V124 HydrophobicContact CG1-CG1 4.07Å; V122-V124 HydrophobicContact CG2-CG1 4.15Å; V122-N189 WeakPolarHBondContact O-CA 3.29Å; V122-L190 HydrophobicContact CG1-CB 4.24Å; V122-L190 HydrophobicContact CG1-CD1 3.83Å; V122-L190 HydrophobicContact CG1-CG 4.14Å; V122-L190 PolarHBondContact O-N 2.96Å | ||
| 123 | D | 93.7 | Very high | 95.7 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.059 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.6 | 169.2 | -63.8 | -7.4 | 0 | 0 | 0 | 108.7 | R69 I188 N189 L197 T198 | R69-D123 PolarHBondContact NH2-O 2.89Å; D123-I188 WeakPolarHBondContact CA-O 3.18Å; D123-N189 WeakPolarHBondContact OD1-CB 3.32Å; D123-N189 PolarHBondContact OD1-ND2 3.32Å; D123-L197 HydrophobicContact CB-CD2 4.14Å; D123-T198 WeakPolarHBondContact OD2-CB 3.34Å; D123-T198 WeakPolarHBondContact OD2-CG2 3.39Å; D123-T198 PolarHBondContact OD2-N 3.4Å; D123-T198 PolarHBondContact OD2-OG1 2.96Å |
| 124 | V | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 157.4 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | D80 F85 V122 T129 R187 I188 L190 | D80-V124 CarbonylContact O-C 3.58Å; D80-V124 WeakPolarHBondContact O-CA 3.38Å; F85-V124 HydrophobicContact CE1-CG1 4.48Å; V122-V124 HydrophobicContact CG1-CG1 4.07Å; V122-V124 HydrophobicContact CG2-CG1 4.15Å; V124-T129 WeakPolarHBondContact CG2-OG1 3.27Å; V124-R187 CarbonylContact O-C 3.18Å; V124-R187 WeakPolarHBondContact O-CA 3.44Å; V124-R187 WeakPolarHBondContact O-CB 3.36Å; V124-I188 HydrophobicContact CG2-CG2 4.23Å; V124-I188 PolarHBondContact N-O 2.97Å; V124-I188 PolarHBondContact O-N 2.78Å; V124-L190 HydrophobicContact CG1-CD1 4.01Å; V124-L190 HydrophobicContact CG1-CG 4.11Å; V124-L190 HydrophobicContact CG2-CD1 4.31Å; V124-L190 HydrophobicContact CG2-CD2 3.63Å; V124-L190 HydrophobicContact CG2-CG 3.75Å |
| 125 | S | 95.8 | Very high | 95.9 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.2 | 168.6 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | D80 F127 E128 T129 | D80-S125 PolarHBondContact O-N 3.4Å; S125-F127 VanDerWaalsContact C-N 3.27Å; S125-F127 PolarHBondContact O-N 3.46Å; S125-E128 WeakPolarHBondContact OG-CG 3.48Å; S125-E128 PolarHBondContact OG-N 3.35Å; S125-T129 VanDerWaalsContact O-CB 3.26Å; S125-T129 WeakPolarHBondContact O-CB 3.37Å; S125-T129 PolarHBondContact O-N 2.9Å; S125-T129 VanDerWaalsContact O-N 3.11Å; S125-T129 PolarHBondContact O-OG1 3.18Å |
| 126 | V | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.8 | -33.5 | 179.6 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | N130 L173 A176 P184 Y185 P186 I188 M212 | V126-N130 VanDerWaalsContact O-CB 3.24Å; V126-N130 WeakPolarHBondContact O-CB 3.19Å; V126-N130 PolarHBondContact O-N 3.25Å; V126-N130 VanDerWaalsContact O-N 3.1Å; V126-L173 HydrophobicContact CG1-CD2 4.42Å; V126-L173 HydrophobicContact CG2-CD2 4.42Å; V126-A176 HydrophobicContact CG1-CB 4.09Å; V126-A176 HydrophobicContact CG2-CB 3.71Å; V126-P184 HydrophobicContact CG1-CB 4.31Å; V126-Y185 WeakPolarHBondContact CG2-O 3.26Å; V126-P186 PolarHBondContact N-O 2.82Å; V126-I188 HydrophobicContact CG2-CB 3.85Å; V126-I188 HydrophobicContact CG2-CG2 3.89Å; V126-M212 HydrophobicContact CG1-CE 3.69Å; V126-M212 HydrophobicContact CG1-SD 4.27Å |
| 127 | F | 97.2 | Very high | 96.3 | Very high | 28 Ų | 28 | 22.9 Ų | 22.9 | 12% | 0.123 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.6 | -57.7 | 177.6 | 168 | -108.9 | 0 | 0 | 0 | 111.8 | S125 T129 N130 I131 C208 T211 | S125-F127 VanDerWaalsContact C-N 3.27Å; S125-F127 PolarHBondContact O-N 3.46Å; F127-T129 VanDerWaalsContact C-N 3.28Å; F127-T129 PolarHBondContact O-N 3.4Å; F127-N130 WeakPolarHBondContact O-CB 3.45Å; F127-N130 PolarHBondContact O-N 2.89Å; F127-I131 HydrophobicContact CD1-CD1 4.07Å; F127-I131 HydrophobicContact CD2-CD1 4.3Å; F127-I131 HydrophobicContact CD2-CG2 4.14Å; F127-I131 HydrophobicContact CE1-CD1 3.61Å; F127-I131 HydrophobicContact CE2-CD1 3.86Å; F127-I131 HydrophobicContact CE2-CG2 3.99Å; F127-I131 HydrophobicContact CG-CD1 4.4Å; F127-I131 HydrophobicContact CZ-CD1 3.49Å; F127-I131 VanDerWaalsContact CZ-CD1 3.49Å; F127-I131 WeakPolarHBondContact O-CG1 3.48Å; F127-I131 PolarHBondContact O-N 3.13Å; F127-C208 HydrophobicContact CB-CB 4.19Å; F127-T211 HydrophobicContact CE2-CG2 3.87Å |
| 128 | E | 97.4 | Very high | 96.5 | Very high | 44 Ų | 44 | 16 Ų | 16 | 21% | 0.206 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | -179.4 | -53.2 | -69.6 | 146.5 | 0 | 0 | 111.2 | A81 S125 N130 R132 | A81-E128 HydrophobicContact CB-CB 3.8Å; A81-E128 HydrophobicContact CB-CG 3.99Å; S125-E128 WeakPolarHBondContact OG-CG 3.48Å; S125-E128 PolarHBondContact OG-N 3.35Å; E128-N130 VanDerWaalsContact C-N 3.32Å; E128-N130 PolarHBondContact O-N 3.21Å; E128-R132 WeakPolarHBondContact O-CB 3.1Å; E128-R132 WeakPolarHBondContact O-CG 3.49Å; E128-R132 PolarHBondContact O-N 2.7Å; E128-R132 IonicContact OE2-CZ 3.15Å; E128-R132 VanDerWaalsContact OE2-CZ 3.26Å; E128-R132 IonicContact OE2-NE 2.77Å; E128-R132 IonicContact OE2-NH2 3.95Å; E128-R132 PolarHBondContact OE2-NH2 2.67Å |
| 129 | T | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -68.1 | -31.8 | 177.6 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | V124 S125 F127 V133 L134 I169 L173 | V124-T129 WeakPolarHBondContact CG2-OG1 3.27Å; S125-T129 VanDerWaalsContact O-CB 3.26Å; S125-T129 WeakPolarHBondContact O-CB 3.37Å; S125-T129 PolarHBondContact O-N 2.9Å; S125-T129 VanDerWaalsContact O-N 3.11Å; S125-T129 PolarHBondContact O-OG1 3.18Å; F127-T129 VanDerWaalsContact C-N 3.28Å; F127-T129 PolarHBondContact O-N 3.4Å; T129-V133 HydrophobicContact CG2-CB 4.11Å; T129-V133 HydrophobicContact CG2-CG2 4.31Å; T129-V133 VanDerWaalsContact O-CB 3.31Å; T129-V133 WeakPolarHBondContact O-CB 3.14Å; T129-V133 PolarHBondContact O-N 2.99Å; T129-L134 PolarHBondContact O-N 3.42Å; T129-I169 HydrophobicContact CG2-CD1 3.66Å; T129-I169 HydrophobicContact CG2-CG1 3.69Å; T129-L173 HydrophobicContact CG2-CD1 4.18Å; T129-L173 HydrophobicContact CG2-CD2 4Å; T129-L173 HydrophobicContact CG2-CG 4.45Å |
| 130 | N | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -69.1 | -55.5 | 174.2 | 178.2 | 75.6 | 0 | 0 | 0 | 111.3 | V126 F127 E128 L134 G135 L173 T211 M212 E215 F216 | V126-N130 VanDerWaalsContact O-CB 3.24Å; V126-N130 WeakPolarHBondContact O-CB 3.19Å; V126-N130 PolarHBondContact O-N 3.25Å; V126-N130 VanDerWaalsContact O-N 3.1Å; F127-N130 WeakPolarHBondContact O-CB 3.45Å; F127-N130 PolarHBondContact O-N 2.89Å; E128-N130 VanDerWaalsContact C-N 3.32Å; E128-N130 PolarHBondContact O-N 3.21Å; N130-L134 WeakPolarHBondContact O-CB 3.29Å; N130-L134 PolarHBondContact O-N 3.36Å; N130-G135 PolarHBondContact O-N 3.41Å; N130-L173 HydrophobicContact CB-CD1 4.16Å; N130-T211 PolarHBondContact ND2-O 3.14Å; N130-M212 HydrophobicContact CB-CE 3.61Å; N130-M212 HydrophobicContact CB-SD 3.66Å; N130-E215 VanDerWaalsContact ND2-CD 3.26Å; N130-E215 PolarHBondContact ND2-OE2 3.42Å; N130-F216 WeakPolarHBondContact OD1-CD2 3.49Å; N130-F216 WeakPolarHBondContact OD1-CE2 3.19Å |
| 131 | I | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | I | π-helix | trans | -69.5 | -39.2 | -170 | 67.8 | -167.6 | 0 | 0 | 0 | 111.8 | F127 G135 T211 T475 E476 H478 | F127-I131 HydrophobicContact CD1-CD1 4.07Å; F127-I131 HydrophobicContact CD2-CD1 4.3Å; F127-I131 HydrophobicContact CD2-CG2 4.14Å; F127-I131 HydrophobicContact CE1-CD1 3.61Å; F127-I131 HydrophobicContact CE2-CD1 3.86Å; F127-I131 HydrophobicContact CE2-CG2 3.99Å; F127-I131 HydrophobicContact CG-CD1 4.4Å; F127-I131 HydrophobicContact CZ-CD1 3.49Å; F127-I131 VanDerWaalsContact CZ-CD1 3.49Å; F127-I131 WeakPolarHBondContact O-CG1 3.48Å; F127-I131 PolarHBondContact O-N 3.13Å; I131-G135 WeakPolarHBondContact O-CA 3.45Å; I131-T211 HydrophobicContact CG2-CG2 4.12Å; I131-T475 HydrophobicContact CB-CG2 3.68Å; I131-T475 HydrophobicContact CD1-CG2 4.08Å; I131-T475 HydrophobicContact CG1-CG2 4.38Å; I131-T475 HydrophobicContact CG2-CG2 3.46Å; I131-T475 VanDerWaalsContact CG2-CG2 3.46Å; I131-E476 HydrophobicContact CB-CB 4.45Å; I131-E476 WeakPolarHBondContact CD1-OE2 3.29Å; I131-E476 VanDerWaalsContact CG1-OE2 3.24Å; I131-E476 WeakPolarHBondContact CG1-OE2 3.5Å; I131-H478 PolarHBondContact O-CD2 3.11Å |
| 132 | R | 98.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 7.1 Ų | 7.1 | 9% | 0.087 | 4% | 0.035 | C | C | . | . | I | π-helix | trans | -90.3 | -58 | -178.4 | -55.2 | -165.5 | -175.8 | 163.8 | 19.5 | 113.9 | L87 D91 E128 G136 S444 E476 | L87-R132 HydrophobicContact CD1-CB 3.68Å; L87-R132 HydrophobicContact CD1-CG 4.36Å; D91-R132 WeakPolarHBondContact OD1-CA 3.45Å; D91-R132 WeakPolarHBondContact OD1-CB 3.43Å; E128-R132 WeakPolarHBondContact O-CB 3.1Å; E128-R132 WeakPolarHBondContact O-CG 3.49Å; E128-R132 PolarHBondContact O-N 2.7Å; E128-R132 IonicContact OE2-CZ 3.15Å; E128-R132 VanDerWaalsContact OE2-CZ 3.26Å; E128-R132 IonicContact OE2-NE 2.77Å; E128-R132 IonicContact OE2-NH2 3.95Å; E128-R132 PolarHBondContact OE2-NH2 2.67Å; R132-G136 WeakPolarHBondContact O-CA 3.48Å; R132-G136 PolarHBondContact O-N 2.78Å; R132-S444 WeakPolarHBondContact CD-OG 3.08Å; R132-S444 PolarHBondContact NH1-OG 3.44Å; R132-S444 VanDerWaalsContact NH1-OG 3.11Å; R132-E476 WeakPolarHBondContact CD-OE1 3.38Å; R132-E476 HydrophobicContact CG-CG 3.92Å; R132-E476 IonicContact CZ-OE1 3.15Å; R132-E476 VanDerWaalsContact CZ-OE1 3.3Å; R132-E476 IonicContact NE-OE1 2.67Å; R132-E476 PolarHBondContact NE-OE1 2.7Å; R132-E476 IonicContact NE-OE2 3.3Å; R132-E476 IonicContact NH2-OE1 3.27Å; R132-E476 PolarHBondContact NH2-OE1 3.27Å |
| 133 | V | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -75.3 | -52.3 | -172.9 | 177.5 | 0 | 0 | 0 | 0 | 111 | F85 L87 L90 F118 T129 L137 I169 | F85-V133 HydrophobicContact CD2-CG2 4.02Å; F85-V133 HydrophobicContact CE1-CG2 4.05Å; F85-V133 HydrophobicContact CE2-CG2 3.49Å; F85-V133 VanDerWaalsContact CE2-CG2 3.49Å; F85-V133 HydrophobicContact CZ-CG2 3.51Å; L87-V133 HydrophobicContact CD1-CG2 4.19Å; L90-V133 HydrophobicContact CD1-CG1 4.11Å; L90-V133 HydrophobicContact CD1-CG2 4.14Å; F118-V133 HydrophobicContact CD1-CG1 4.44Å; F118-V133 HydrophobicContact CE1-CG1 3.54Å; F118-V133 HydrophobicContact CZ-CG1 3.63Å; T129-V133 HydrophobicContact CG2-CB 4.11Å; T129-V133 HydrophobicContact CG2-CG2 4.31Å; T129-V133 VanDerWaalsContact O-CB 3.31Å; T129-V133 WeakPolarHBondContact O-CB 3.14Å; T129-V133 PolarHBondContact O-N 2.99Å; V133-L137 HydrophobicContact CG1-CD1 4.14Å; V133-L137 WeakPolarHBondContact O-CB 3.22Å; V133-L137 WeakPolarHBondContact O-CD1 3.48Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.81Å; V133-L137 VanDerWaalsContact O-N 3.12Å; V133-I169 HydrophobicContact CG1-CB 4.45Å; V133-I169 HydrophobicContact CG1-CG1 3.98Å; V133-I169 HydrophobicContact CG1-CG2 4.34Å |
| 134 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -70.5 | -43.7 | 177.5 | -179.9 | 61 | 0 | 0 | 0 | 111 | T129 N130 L137 L138 A166 I169 E215 F216 L219 | T129-L134 PolarHBondContact O-N 3.42Å; N130-L134 WeakPolarHBondContact O-CB 3.29Å; N130-L134 PolarHBondContact O-N 3.36Å; L134-L137 PolarHBondContact O-N 2.87Å; L134-L138 HydrophobicContact CD1-CD1 3.9Å; L134-L138 HydrophobicContact CD1-CG 4.03Å; L134-L138 HydrophobicContact CG-CD1 3.86Å; L134-L138 HydrophobicContact CG-CG 4.41Å; L134-L138 WeakPolarHBondContact O-CB 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.14Å; L134-L138 PolarHBondContact O-N 2.71Å; L134-A166 HydrophobicContact CD1-CB 3.63Å; L134-A166 WeakPolarHBondContact CD1-O 3.32Å; L134-I169 HydrophobicContact CB-CG2 4.15Å; L134-I169 HydrophobicContact CD1-CG2 4.02Å; L134-E215 HydrophobicContact CD2-CB 3.87Å; L134-E215 HydrophobicContact CG-CB 4.03Å; L134-F216 HydrophobicContact CD2-CD2 3.71Å; L134-F216 HydrophobicContact CD2-CE2 3.7Å; L134-L219 HydrophobicContact CD1-CD1 4.37Å; L134-L219 HydrophobicContact CD1-CD2 4.1Å; L134-L219 HydrophobicContact CD2-CD2 4.2Å |
| 135 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56.2 | -52.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N130 I131 L137 L138 G139 | N130-G135 PolarHBondContact O-N 3.41Å; I131-G135 WeakPolarHBondContact O-CA 3.45Å; G135-L137 PolarHBondContact O-N 2.87Å; G135-L138 PolarHBondContact O-N 2.65Å; G135-G139 PolarHBondContact O-N 3.39Å |
| 136 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R132 A140 H478 | R132-G136 WeakPolarHBondContact O-CA 3.48Å; R132-G136 PolarHBondContact O-N 2.78Å; G136-A140 WeakPolarHBondContact O-CB 3.46Å; G136-A140 PolarHBondContact O-N 3.35Å; G136-H478 VanDerWaalsContact CA-CE1 3.49Å; G136-H478 WeakPolarHBondContact CA-CE1 3.35Å; G136-H478 PolarHBondContact N-CD2 3Å; G136-H478 PolarHBondContact N-NE2 2.7Å |
| 137 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 172.7 | -74.1 | 171.8 | 0 | 0 | 0 | 112.3 | L90 F118 V133 L134 G135 H141 L162 M165 A166 I169 | L90-L137 HydrophobicContact CD2-CD2 3.82Å; L90-L137 HydrophobicContact CD2-CG 4.26Å; F118-L137 HydrophobicContact CE2-CD1 3.99Å; F118-L137 HydrophobicContact CZ-CD1 3.9Å; V133-L137 HydrophobicContact CG1-CD1 4.14Å; V133-L137 WeakPolarHBondContact O-CB 3.22Å; V133-L137 WeakPolarHBondContact O-CD1 3.48Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.81Å; V133-L137 VanDerWaalsContact O-N 3.12Å; L134-L137 PolarHBondContact O-N 2.87Å; G135-L137 PolarHBondContact O-N 2.87Å; L137-H141 WeakPolarHBondContact O-CB 3.22Å; L137-H141 PolarHBondContact O-N 3.4Å; L137-L162 HydrophobicContact CD2-CB 4.33Å; L137-L162 HydrophobicContact CD2-CD2 3.64Å; L137-M165 HydrophobicContact CD1-CB 3.99Å; L137-M165 HydrophobicContact CD2-CB 4.06Å; L137-M165 HydrophobicContact CD2-CE 4.18Å; L137-M165 HydrophobicContact CD2-SD 4.49Å; L137-A166 HydrophobicContact CB-CB 4.17Å; L137-A166 HydrophobicContact CD1-CB 4.48Å; L137-I169 HydrophobicContact CD1-CG2 4.09Å |
| 138 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -70 | -46.4 | 178 | -69.5 | 172 | 0 | 0 | 0 | 111.5 | L134 G135 A140 H141 V142 L163 A166 E215 A218 L219 L222 L480 | L134-L138 HydrophobicContact CD1-CD1 3.9Å; L134-L138 HydrophobicContact CD1-CG 4.03Å; L134-L138 HydrophobicContact CG-CD1 3.86Å; L134-L138 HydrophobicContact CG-CG 4.41Å; L134-L138 WeakPolarHBondContact O-CB 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.14Å; L134-L138 PolarHBondContact O-N 2.71Å; G135-L138 PolarHBondContact O-N 2.65Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.92Å; L138-H141 PolarHBondContact O-N 2.87Å; L138-V142 WeakPolarHBondContact O-CB 3.48Å; L138-V142 VanDerWaalsContact O-CG2 3.24Å; L138-V142 WeakPolarHBondContact O-CG2 3.13Å; L138-V142 PolarHBondContact O-N 2.8Å; L138-L163 HydrophobicContact CD2-CD1 4.05Å; L138-A166 HydrophobicContact CD2-CB 4.03Å; L138-A166 HydrophobicContact CG-CB 4.38Å; L138-E215 HydrophobicContact CD1-CB 4.11Å; L138-E215 WeakPolarHBondContact CD1-O 3.26Å; L138-A218 HydrophobicContact CD1-CB 4.12Å; L138-L219 HydrophobicContact CD1-CB 4.42Å; L138-L219 HydrophobicContact CD2-CD1 4.25Å; L138-L222 HydrophobicContact CD2-CD1 3.87Å; L138-L480 HydrophobicContact CB-CD2 4.06Å |
| 139 | G | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G135 V142 A143 L479 | G135-G139 PolarHBondContact O-N 3.39Å; G139-V142 PolarHBondContact O-N 2.8Å; G139-A143 WeakPolarHBondContact O-CB 3.37Å; G139-A143 PolarHBondContact O-N 3.24Å; G139-L479 WeakPolarHBondContact CA-O 3.49Å |
| 140 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.5 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L93 F105 G136 L138 A143 V144 L162 | L93-A140 HydrophobicContact CB-CB 3.64Å; L93-A140 HydrophobicContact CD1-CB 3.55Å; L93-A140 HydrophobicContact CG-CB 4.24Å; F105-A140 HydrophobicContact CE2-CB 4.33Å; G136-A140 WeakPolarHBondContact O-CB 3.46Å; G136-A140 PolarHBondContact O-N 3.35Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.92Å; A140-A143 WeakPolarHBondContact O-CB 3.49Å; A140-A143 PolarHBondContact O-N 3.27Å; A140-V144 WeakPolarHBondContact O-CG2 3.19Å; A140-V144 PolarHBondContact O-N 3.28Å; A140-L162 HydrophobicContact CB-CD1 3.7Å |
| 141 | H | 98 | Very high | 95.7 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60 | -47 | 172.8 | 172.7 | 67.5 | 0 | 0 | 0 | 111.3 | L137 L138 A143 V144 M145 Y158 L162 | L137-H141 WeakPolarHBondContact O-CB 3.22Å; L137-H141 PolarHBondContact O-N 3.4Å; L138-H141 PolarHBondContact O-N 2.87Å; H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.99Å; H141-V144 PolarHBondContact O-N 3.19Å; H141-M145 WeakPolarHBondContact O-CG 3.39Å; H141-M145 PolarHBondContact O-N 2.96Å; H141-Y158 AromaticContact ND1-CE1 3.84Å; H141-Y158 AromaticContact ND1-CZ 3.81Å; H141-Y158 PolarHBondContact ND1-OH 3.45Å; H141-L162 HydrophobicContact CB-CB 4.27Å |
| 142 | V | 96 | Very high | 95.1 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.5 | 165.7 | 0 | 0 | 0 | 0 | 111.6 | L138 G139 M145 S146 Y471 P481 | L138-V142 WeakPolarHBondContact O-CB 3.48Å; L138-V142 VanDerWaalsContact O-CG2 3.24Å; L138-V142 WeakPolarHBondContact O-CG2 3.13Å; L138-V142 PolarHBondContact O-N 2.8Å; G139-V142 PolarHBondContact O-N 2.8Å; V142-M145 PolarHBondContact O-N 2.89Å; V142-S146 PolarHBondContact O-N 3.28Å; V142-Y471 HydrophobicContact CG1-CD1 4.21Å; V142-Y471 HydrophobicContact CG1-CE1 3.57Å; V142-P481 HydrophobicContact CG1-CG 4.17Å; V142-P481 HydrophobicContact CG2-CG 4.18Å |
| 143 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F97 F105 G139 A140 H141 M145 S146 I147 | F97-A143 HydrophobicContact CB-CB 3.95Å; F97-A143 HydrophobicContact CD1-CB 3.4Å; F97-A143 VanDerWaalsContact CD1-CB 3.4Å; F97-A143 HydrophobicContact CD2-CB 4.03Å; F97-A143 HydrophobicContact CE1-CB 3.79Å; F97-A143 HydrophobicContact CE2-CB 4.38Å; F97-A143 HydrophobicContact CG-CB 3.52Å; F97-A143 HydrophobicContact CZ-CB 4.25Å; F105-A143 HydrophobicContact CE1-CB 4.36Å; F105-A143 HydrophobicContact CE2-CB 4.38Å; F105-A143 HydrophobicContact CZ-CB 3.76Å; G139-A143 WeakPolarHBondContact O-CB 3.37Å; G139-A143 PolarHBondContact O-N 3.24Å; A140-A143 WeakPolarHBondContact O-CB 3.49Å; A140-A143 PolarHBondContact O-N 3.27Å; H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.99Å; A143-M145 VanDerWaalsContact C-N 3.33Å; A143-M145 PolarHBondContact O-N 3.4Å; A143-S146 PolarHBondContact O-N 2.96Å; A143-I147 WeakPolarHBondContact O-CG1 3.48Å; A143-I147 PolarHBondContact O-N 3.36Å |
| 144 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | F105 A140 H141 I147 K148 M155 Y158 | F105-V144 HydrophobicContact CE1-CG2 3.72Å; F105-V144 HydrophobicContact CZ-CG2 3.81Å; A140-V144 WeakPolarHBondContact O-CG2 3.19Å; A140-V144 PolarHBondContact O-N 3.28Å; H141-V144 PolarHBondContact O-N 3.19Å; V144-I147 PolarHBondContact O-N 3.2Å; V144-K148 HydrophobicContact CG1-CD 3.99Å; V144-K148 HydrophobicContact CG1-CG 4.4Å; V144-K148 WeakPolarHBondContact O-CG 2.92Å; V144-K148 PolarHBondContact O-N 2.83Å; V144-M155 HydrophobicContact CG1-CB 4.19Å; V144-M155 HydrophobicContact CG1-CE 4.14Å; V144-M155 HydrophobicContact CG1-SD 4.2Å; V144-M155 HydrophobicContact CG2-CE 3.53Å; V144-M155 HydrophobicContact CG2-SD 4.02Å; V144-Y158 HydrophobicContact CB-CD1 4.33Å; V144-Y158 HydrophobicContact CB-CE1 4.22Å; V144-Y158 HydrophobicContact CG1-CD1 3.51Å; V144-Y158 HydrophobicContact CG1-CD2 4.17Å; V144-Y158 HydrophobicContact CG1-CE1 3.89Å; V144-Y158 HydrophobicContact CG1-CE2 4.5Å; V144-Y158 HydrophobicContact CG1-CG 3.67Å; V144-Y158 HydrophobicContact CG2-CD2 4.44Å; V144-Y158 HydrophobicContact CG2-CE2 4.3Å |
| 145 | M | 94 | Very high | 94.2 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 32% | 0.32 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.3 | -65.9 | -53.8 | 95.5 | 0 | 0 | 111.6 | H141 V142 A143 K148 Q149 Y158 | H141-M145 WeakPolarHBondContact O-CG 3.39Å; H141-M145 PolarHBondContact O-N 2.96Å; V142-M145 PolarHBondContact O-N 2.89Å; A143-M145 VanDerWaalsContact C-N 3.33Å; A143-M145 PolarHBondContact O-N 3.4Å; M145-K148 HydrophobicContact CE-CD 4.27Å; M145-K148 PolarHBondContact O-N 3.23Å; M145-Q149 WeakPolarHBondContact O-CB 3.43Å; M145-Q149 PolarHBondContact O-N 2.68Å; M145-Y158 HydrophobicContact CE-CD1 3.85Å; M145-Y158 HydrophobicContact CE-CE1 3.54Å |
| 146 | S | 92.8 | Very high | 94 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | V142 A143 K148 Q149 N150 I466 | V142-S146 PolarHBondContact O-N 3.28Å; A143-S146 PolarHBondContact O-N 2.96Å; S146-K148 VanDerWaalsContact C-N 3.35Å; S146-K148 PolarHBondContact O-N 2.94Å; S146-Q149 PolarHBondContact O-N 2.97Å; S146-N150 WeakPolarHBondContact O-CB 3.19Å; S146-N150 PolarHBondContact O-N 3.09Å; S146-I466 WeakPolarHBondContact OG-CG2 3.31Å |
| 147 | I | 94 | Very high | 93.8 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 174.6 | -70.4 | 170.9 | 0 | 0 | 0 | 110.8 | F97 L102 F105 A143 V144 N150 N151 R154 M155 | F97-I147 HydrophobicContact CD2-CD1 3.9Å; F97-I147 HydrophobicContact CD2-CG1 4.04Å; F97-I147 HydrophobicContact CE2-CD1 3.99Å; F97-I147 HydrophobicContact CE2-CG1 3.57Å; L102-I147 HydrophobicContact CD2-CD1 4.19Å; L102-I147 HydrophobicContact CD2-CG1 4.5Å; F105-I147 HydrophobicContact CD1-CD1 3.72Å; F105-I147 HydrophobicContact CE1-CD1 3.58Å; A143-I147 WeakPolarHBondContact O-CG1 3.48Å; A143-I147 PolarHBondContact O-N 3.36Å; V144-I147 PolarHBondContact O-N 3.2Å; I147-N150 PolarHBondContact O-N 3.49Å; I147-N151 CarbonylContact O-C 3.57Å; I147-N151 PolarHBondContact O-N 2.98Å; I147-R154 HydrophobicContact CG2-CB 3.88Å; I147-R154 HydrophobicContact CG2-CG 3.67Å; I147-M155 HydrophobicContact CD1-SD 3.93Å |
| 148 | K | 92.6 | Very high | 93.7 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 22% | 0.217 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.9 | -34.4 | -179.2 | -68.3 | 175.8 | 73.5 | 172.7 | 0 | 112.2 | V144 M145 S146 N151 D152 Y158 | V144-K148 HydrophobicContact CG1-CD 3.99Å; V144-K148 HydrophobicContact CG1-CG 4.4Å; V144-K148 WeakPolarHBondContact O-CG 2.92Å; V144-K148 PolarHBondContact O-N 2.83Å; M145-K148 HydrophobicContact CE-CD 4.27Å; M145-K148 PolarHBondContact O-N 3.23Å; S146-K148 VanDerWaalsContact C-N 3.35Å; S146-K148 PolarHBondContact O-N 2.94Å; K148-N151 CarbonylContact O-C 3.59Å; K148-D152 WeakPolarHBondContact O-CA 3.36Å; K148-D152 PolarHBondContact O-N 3.42Å; K148-D152 VanDerWaalsContact O-N 3.09Å; K148-Y158 PolarHBondContact NZ-O 3.18Å |
| 149 | Q | 88.7 | Confident | 93.5 | Very high | 166 Ų | 166 | 53.4 Ų | 53.4 | 78% | 0.776 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.3 | -37.8 | 173.5 | -176.7 | 175.8 | -8.6 | 0 | 0 | 112.5 | M145 S146 | M145-Q149 WeakPolarHBondContact O-CB 3.43Å; M145-Q149 PolarHBondContact O-N 2.68Å; S146-Q149 PolarHBondContact O-N 2.97Å |
| 150 | N | 88.1 | Confident | 93.5 | Very high | 113 Ų | 113 | 56.6 Ų | 56.6 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -83 | -28.4 | 178.2 | -71.7 | -22.1 | 0 | 0 | 0 | 113.1 | S146 I147 P465 | S146-N150 WeakPolarHBondContact O-CB 3.19Å; S146-N150 PolarHBondContact O-N 3.09Å; I147-N150 PolarHBondContact O-N 3.49Å; N150-P465 PolarHBondContact ND2-O 3.23Å |
| 151 | N | 90.7 | Very high | 93.5 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | trans | -155.9 | 92.4 | 177.9 | -179.5 | 5.1 | 0 | 0 | 0 | 111.7 | I147 K148 S153 R154 | I147-N151 CarbonylContact O-C 3.57Å; I147-N151 PolarHBondContact O-N 2.98Å; K148-N151 CarbonylContact O-C 3.59Å; N151-S153 PolarHBondContact O-N 3.36Å; N151-S153 WeakPolarHBondContact OD1-CB 3.41Å; N151-S153 PolarHBondContact OD1-N 3.14Å; N151-S153 PolarHBondContact OD1-OG 3.06Å; N151-R154 HydrophobicContact CB-CB 4.44Å; N151-R154 PolarHBondContact O-N 3.41Å | ||
| 152 | D | 84.6 | Confident | 93.5 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.5 | -178.7 | -172.1 | 51.7 | 0 | 0 | 0 | 114.3 | K148 R154 | K148-D152 WeakPolarHBondContact O-CA 3.36Å; K148-D152 PolarHBondContact O-N 3.42Å; K148-D152 VanDerWaalsContact O-N 3.09Å; D152-R154 VanDerWaalsContact C-N 3.33Å |
| 153 | S | 90.9 | Very high | 93.6 | Very high | 85 Ų | 85 | 58.9 Ų | 58.9 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21.6 | 174.5 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | N151 | N151-S153 PolarHBondContact O-N 3.36Å; N151-S153 WeakPolarHBondContact OD1-CB 3.41Å; N151-S153 PolarHBondContact OD1-N 3.14Å; N151-S153 PolarHBondContact OD1-OG 3.06Å |
| 154 | R | 92.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 139.2 | -175.9 | -173 | 169.2 | -177.8 | 114.9 | 22.5 | 111 | L102 D103 E106 I147 N151 D152 N156 | L102-R154 PolarHBondContact O-NH2 3.44Å; D103-R154 VanDerWaalsContact CA-NH2 3.31Å; D103-R154 IonicContact OD1-CZ 3.62Å; D103-R154 IonicContact OD1-NH1 3.42Å; D103-R154 PolarHBondContact OD1-NH1 2.98Å; D103-R154 IonicContact OD1-NH2 3.86Å; D103-R154 PolarHBondContact OD1-NH2 2.75Å; E106-R154 IonicContact OE2-NE 2.67Å; E106-R154 IonicContact OE2-NH2 3.84Å; I147-R154 HydrophobicContact CG2-CB 3.88Å; I147-R154 HydrophobicContact CG2-CG 3.67Å; N151-R154 HydrophobicContact CB-CB 4.44Å; N151-R154 PolarHBondContact O-N 3.41Å; D152-R154 VanDerWaalsContact C-N 3.33Å; R154-N156 PolarHBondContact O-N 3.44Å; R154-N156 VanDerWaalsContact O-N 3.11Å |
| 155 | M | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 30.9 | -175.3 | -62.4 | -179.9 | 80.9 | 0 | 0 | 114.1 | F105 E106 V109 V144 I147 W157 Y158 | F105-M155 HydrophobicContact CD1-CE 4.46Å; F105-M155 HydrophobicContact CD1-SD 4.08Å; F105-M155 HydrophobicContact CE1-CE 4.13Å; F105-M155 HydrophobicContact CE1-SD 3.93Å; E106-M155 HydrophobicContact CB-CE 4.34Å; E106-M155 HydrophobicContact CB-CG 4.25Å; E106-M155 HydrophobicContact CB-SD 4.16Å; E106-M155 VanDerWaalsContact CD-CG 3.49Å; E106-M155 HydrophobicContact CG-CE 4.23Å; E106-M155 HydrophobicContact CG-CG 3.85Å; E106-M155 HydrophobicContact CG-SD 4.3Å; E106-M155 WeakPolarHBondContact OE2-CG 3.49Å; V109-M155 HydrophobicContact CB-CE 4.21Å; V109-M155 HydrophobicContact CG1-CE 4.23Å; V109-M155 HydrophobicContact CG2-CE 4.42Å; V144-M155 HydrophobicContact CG1-CB 4.19Å; V144-M155 HydrophobicContact CG1-CE 4.14Å; V144-M155 HydrophobicContact CG1-SD 4.2Å; V144-M155 HydrophobicContact CG2-CE 3.53Å; V144-M155 HydrophobicContact CG2-SD 4.02Å; I147-M155 HydrophobicContact CD1-SD 3.93Å; M155-W157 HydrophobicContact CE-CH2 4.42Å; M155-W157 HydrophobicContact CE-CZ2 3.81Å; M155-W157 PolarHBondContact O-N 3.29Å; M155-W157 VanDerWaalsContact O-N 3.11Å; M155-Y158 VanDerWaalsContact O-CB 3.25Å; M155-Y158 WeakPolarHBondContact O-CB 3.34Å; M155-Y158 PolarHBondContact O-N 3.36Å |
| 156 | N | 92.3 | Very high | 94 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.3 | 178.3 | 67.1 | -4.2 | 0 | 0 | 0 | 114.1 | R154 Y158 | R154-N156 PolarHBondContact O-N 3.44Å; R154-N156 VanDerWaalsContact O-N 3.11Å; N156-Y158 VanDerWaalsContact C-N 3.28Å; N156-Y158 PolarHBondContact O-N 2.76Å |
| 157 | W | 94.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23 | 173.8 | 61.6 | -94.9 | 0 | 0 | 0 | 113.4 | E106 V109 K110 M155 | E106-W157 HydrophobicContact CG-CZ2 4.14Å; E106-W157 PolarHBondContact OE1-NE1 3.29Å; V109-W157 HydrophobicContact CG1-CH2 4.05Å; K110-W157 HydrophobicContact CD-CZ2 4.04Å; K110-W157 HydrophobicContact CG-CH2 3.54Å; K110-W157 HydrophobicContact CG-CZ2 3.47Å; K110-W157 VanDerWaalsContact CG-CZ2 3.47Å; K110-W157 HydrophobicContact CG-CZ3 4.31Å; M155-W157 HydrophobicContact CE-CH2 4.42Å; M155-W157 HydrophobicContact CE-CZ2 3.81Å; M155-W157 PolarHBondContact O-N 3.29Å; M155-W157 VanDerWaalsContact O-N 3.11Å |
| 158 | Y | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | trans | -76.2 | 128.2 | -174.9 | 179.8 | -86.7 | 0 | 0 | 0 | 111.8 | V109 H141 V144 M145 K148 M155 N156 N160 E161 L162 | V109-Y158 HydrophobicContact CG1-CD2 4.38Å; V109-Y158 HydrophobicContact CG1-CE2 4.31Å; H141-Y158 AromaticContact ND1-CE1 3.84Å; H141-Y158 AromaticContact ND1-CZ 3.81Å; H141-Y158 PolarHBondContact ND1-OH 3.45Å; V144-Y158 HydrophobicContact CB-CD1 4.33Å; V144-Y158 HydrophobicContact CB-CE1 4.22Å; V144-Y158 HydrophobicContact CG1-CD1 3.51Å; V144-Y158 HydrophobicContact CG1-CD2 4.17Å; V144-Y158 HydrophobicContact CG1-CE1 3.89Å; V144-Y158 HydrophobicContact CG1-CE2 4.5Å; V144-Y158 HydrophobicContact CG1-CG 3.67Å; V144-Y158 HydrophobicContact CG2-CD2 4.44Å; V144-Y158 HydrophobicContact CG2-CE2 4.3Å; M145-Y158 HydrophobicContact CE-CD1 3.85Å; M145-Y158 HydrophobicContact CE-CE1 3.54Å; K148-Y158 PolarHBondContact NZ-O 3.18Å; M155-Y158 VanDerWaalsContact O-CB 3.25Å; M155-Y158 WeakPolarHBondContact O-CB 3.34Å; M155-Y158 PolarHBondContact O-N 3.36Å; N156-Y158 VanDerWaalsContact C-N 3.28Å; N156-Y158 PolarHBondContact O-N 2.76Å; Y158-N160 VanDerWaalsContact CE1-CA 3.41Å; Y158-N160 HydrophobicContact CE1-CB 4.46Å; Y158-N160 VanDerWaalsContact CE1-N 3.28Å; Y158-E161 WeakPolarHBondContact CD2-OE2 3.33Å; Y158-L162 HydrophobicContact CE2-CB 4.34Å; Y158-L162 HydrophobicContact CE2-CD1 3.89Å; Y158-L162 HydrophobicContact CE2-CG 3.93Å; Y158-L162 WeakPolarHBondContact OH-CB 3.38Å; Y158-L162 PolarHBondContact OH-N 2.88Å | ||
| 159 | K | 95.3 | Very high | 94.7 | Very high | 160 Ų | 160 | 64.6 Ų | 64.6 | 70% | 0.696 | 33% | 0.325 | S | S | * | . | trans | -126.6 | 30.6 | -172.3 | -63 | 176.1 | -173.8 | 176.9 | 0 | 113 | E161 | K159-E161 VanDerWaalsContact N-CD 3.35Å; K159-E161 PolarHBondContact N-OE1 3.28Å; K159-E161 PolarHBondContact N-OE2 3.31Å | ||
| 160 | N | 96.3 | Very high | 95.1 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 35% | 0.353 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 79.9 | 23.9 | 179.4 | -49.1 | -24.1 | 0 | 0 | 0 | 114.9 | Y158 L162 L163 E164 | Y158-N160 VanDerWaalsContact CE1-CA 3.41Å; Y158-N160 HydrophobicContact CE1-CB 4.46Å; Y158-N160 VanDerWaalsContact CE1-N 3.28Å; N160-L162 VanDerWaalsContact C-N 3.26Å; N160-L162 PolarHBondContact O-N 2.91Å; N160-L163 HydrophobicContact CB-CB 4.16Å; N160-L163 WeakPolarHBondContact O-CA 3.26Å; N160-L163 WeakPolarHBondContact O-CB 3.46Å; N160-L163 PolarHBondContact O-N 2.75Å; N160-E164 PolarHBondContact O-N 2.96Å |
| 161 | E | 97.8 | Very high | 95.6 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.2 | -36.3 | -178 | -62.3 | 85.7 | 166.4 | 0 | 0 | 112.8 | T113 Y158 K159 E164 M165 | T113-E161 HydrophobicContact CG2-CB 3.69Å; Y158-E161 WeakPolarHBondContact CD2-OE2 3.33Å; K159-E161 VanDerWaalsContact N-CD 3.35Å; K159-E161 PolarHBondContact N-OE1 3.28Å; K159-E161 PolarHBondContact N-OE2 3.31Å; E161-E164 PolarHBondContact O-N 2.93Å; E161-M165 VanDerWaalsContact O-CG 3.28Å; E161-M165 WeakPolarHBondContact O-CG 3.27Å; E161-M165 PolarHBondContact O-N 3.43Å |
| 162 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.4 | -29.4 | 174.9 | -61.1 | 163.2 | 0 | 0 | 0 | 112.8 | L93 V109 V112 T113 L137 A140 H141 Y158 N160 A166 | L93-L162 HydrophobicContact CD1-CD2 4.24Å; V109-L162 HydrophobicContact CG1-CD1 3.74Å; V109-L162 HydrophobicContact CG1-CD2 4.25Å; V109-L162 HydrophobicContact CG1-CG 4.05Å; V109-L162 HydrophobicContact CG2-CD1 4.15Å; V112-L162 HydrophobicContact CG1-CD2 4.07Å; T113-L162 HydrophobicContact CG2-CD2 4.3Å; L137-L162 HydrophobicContact CD2-CB 4.33Å; L137-L162 HydrophobicContact CD2-CD2 3.64Å; A140-L162 HydrophobicContact CB-CD1 3.7Å; H141-L162 HydrophobicContact CB-CB 4.27Å; Y158-L162 HydrophobicContact CE2-CB 4.34Å; Y158-L162 HydrophobicContact CE2-CD1 3.89Å; Y158-L162 HydrophobicContact CE2-CG 3.93Å; Y158-L162 WeakPolarHBondContact OH-CB 3.38Å; Y158-L162 PolarHBondContact OH-N 2.88Å; N160-L162 VanDerWaalsContact C-N 3.26Å; N160-L162 PolarHBondContact O-N 2.91Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 2.82Å |
| 163 | L | 98.2 | Very high | 96.6 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -76.8 | -34.7 | 175.4 | -174.8 | 65 | 0 | 0 | 0 | 110.9 | L138 N160 M165 A166 V167 L219 L222 T223 | L138-L163 HydrophobicContact CD2-CD1 4.05Å; N160-L163 HydrophobicContact CB-CB 4.16Å; N160-L163 WeakPolarHBondContact O-CA 3.26Å; N160-L163 WeakPolarHBondContact O-CB 3.46Å; N160-L163 PolarHBondContact O-N 2.75Å; L163-M165 VanDerWaalsContact C-N 3.33Å; L163-A166 HydrophobicContact CD1-CB 4.45Å; L163-A166 WeakPolarHBondContact O-CB 3.28Å; L163-A166 PolarHBondContact O-N 3.36Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.93Å; L163-L219 HydrophobicContact CD1-CD1 4.21Å; L163-L222 HydrophobicContact CD1-CB 3.98Å; L163-L222 HydrophobicContact CD1-CD1 4.39Å; L163-L222 HydrophobicContact CD2-CB 4.36Å; L163-T223 HydrophobicContact CD1-CG2 4.11Å; L163-T223 HydrophobicContact CG-CG2 4.33Å |
| 164 | E | 98.1 | Very high | 96.9 | Very high | 132 Ų | 132 | 44.3 Ų | 44.3 | 62% | 0.617 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.6 | -41.7 | 169.4 | -65 | -178.2 | 154.2 | 0 | 0 | 110.9 | N160 E161 V167 D168 | N160-E164 PolarHBondContact O-N 2.96Å; E161-E164 PolarHBondContact O-N 2.93Å; E164-V167 PolarHBondContact O-N 3.26Å; E164-D168 PolarHBondContact O-N 3.36Å |
| 165 | M | 98.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 171.2 | -73 | 176.3 | 71.5 | 0 | 0 | 112.8 | V112 T113 V116 F118 L137 E161 L163 V167 D168 I169 | V112-M165 HydrophobicContact CG1-CE 3.77Å; V112-M165 HydrophobicContact CG1-SD 4.3Å; T113-M165 HydrophobicContact CG2-SD 4.11Å; V116-M165 HydrophobicContact CB-CE 3.82Å; V116-M165 HydrophobicContact CG1-CE 3.79Å; F118-M165 HydrophobicContact CE2-CB 4.14Å; F118-M165 HydrophobicContact CE2-CE 4.06Å; F118-M165 HydrophobicContact CZ-CE 4.1Å; L137-M165 HydrophobicContact CD1-CB 3.99Å; L137-M165 HydrophobicContact CD2-CB 4.06Å; L137-M165 HydrophobicContact CD2-CE 4.18Å; L137-M165 HydrophobicContact CD2-SD 4.49Å; E161-M165 VanDerWaalsContact O-CG 3.28Å; E161-M165 WeakPolarHBondContact O-CG 3.27Å; E161-M165 PolarHBondContact O-N 3.43Å; L163-M165 VanDerWaalsContact C-N 3.33Å; M165-V167 VanDerWaalsContact C-N 3.31Å; M165-V167 PolarHBondContact O-N 2.91Å; M165-D168 PolarHBondContact O-N 2.89Å; M165-I169 PolarHBondContact O-N 3.45Å |
| 166 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L134 L137 L138 L162 L163 I169 G170 L219 | L134-A166 HydrophobicContact CD1-CB 3.63Å; L134-A166 WeakPolarHBondContact CD1-O 3.32Å; L137-A166 HydrophobicContact CB-CB 4.17Å; L137-A166 HydrophobicContact CD1-CB 4.48Å; L138-A166 HydrophobicContact CD2-CB 4.03Å; L138-A166 HydrophobicContact CG-CB 4.38Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 2.82Å; L163-A166 HydrophobicContact CD1-CB 4.45Å; L163-A166 WeakPolarHBondContact O-CB 3.28Å; L163-A166 PolarHBondContact O-N 3.36Å; A166-I169 WeakPolarHBondContact O-CG2 3.31Å; A166-G170 PolarHBondContact O-N 2.93Å; A166-L219 HydrophobicContact CB-CD1 3.89Å |
| 167 | V | 98.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 25% | 0.248 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.4 | -42.1 | 172 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | L163 E164 M165 N171 L219 T223 | L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.93Å; E164-V167 PolarHBondContact O-N 3.26Å; M165-V167 VanDerWaalsContact C-N 3.31Å; M165-V167 PolarHBondContact O-N 2.91Å; V167-N171 VanDerWaalsContact CG1-ND2 3.34Å; V167-N171 WeakPolarHBondContact CG1-ND2 3.43Å; V167-N171 VanDerWaalsContact O-CB 3.28Å; V167-N171 WeakPolarHBondContact O-CB 3.5Å; V167-N171 PolarHBondContact O-N 3.38Å; V167-N171 PolarHBondContact O-ND2 3.11Å; V167-L219 HydrophobicContact CG2-CD1 3.94Å; V167-T223 HydrophobicContact CG2-CG2 3.41Å; V167-T223 VanDerWaalsContact CG2-CG2 3.41Å |
| 168 | D | 98.3 | Very high | 97.4 | Very high | 55 Ų | 55 | 40 Ų | 40 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.8 | -51.6 | 176.6 | -176.1 | 37 | 0 | 0 | 0 | 111.4 | F118 E164 M165 N171 R172 | F118-D168 HydrophobicContact CD2-CB 4.4Å; E164-D168 PolarHBondContact O-N 3.36Å; M165-D168 PolarHBondContact O-N 2.89Å; D168-N171 PolarHBondContact O-N 3.43Å; D168-R172 WeakPolarHBondContact O-CG 3.33Å; D168-R172 PolarHBondContact O-N 3.1Å; D168-R172 IonicContact OD1-CZ 2.72Å; D168-R172 VanDerWaalsContact OD1-CZ 3.25Å; D168-R172 IonicContact OD1-NE 3.8Å; D168-R172 PolarHBondContact OD1-NE 2.89Å; D168-R172 IonicContact OD1-NH2 4Å; D168-R172 PolarHBondContact OD1-NH2 3.22Å; D168-R172 IonicContact OD2-CZ 3.2Å; D168-R172 IonicContact OD2-NE 2.78Å; D168-R172 PolarHBondContact OD2-NE 2.92Å; D168-R172 IonicContact OD2-NH2 3.53Å; D168-R172 PolarHBondContact OD2-NH2 3.2Å |
| 169 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 178.6 | -165.1 | 62.2 | 0 | 0 | 0 | 112.2 | F118 T129 V133 L134 L137 M165 A166 N171 R172 L173 L190 | F118-I169 HydrophobicContact CB-CD1 3.98Å; F118-I169 HydrophobicContact CD1-CD1 3.9Å; F118-I169 HydrophobicContact CD2-CB 3.88Å; F118-I169 HydrophobicContact CD2-CD1 4.39Å; F118-I169 HydrophobicContact CE2-CB 4.06Å; F118-I169 HydrophobicContact CG-CB 4.2Å; F118-I169 HydrophobicContact CG-CD1 3.83Å; F118-I169 HydrophobicContact CG-CG1 4.46Å; T129-I169 HydrophobicContact CG2-CD1 3.66Å; T129-I169 HydrophobicContact CG2-CG1 3.69Å; V133-I169 HydrophobicContact CG1-CB 4.45Å; V133-I169 HydrophobicContact CG1-CG1 3.98Å; V133-I169 HydrophobicContact CG1-CG2 4.34Å; L134-I169 HydrophobicContact CB-CG2 4.15Å; L134-I169 HydrophobicContact CD1-CG2 4.02Å; L137-I169 HydrophobicContact CD1-CG2 4.09Å; M165-I169 PolarHBondContact O-N 3.45Å; A166-I169 WeakPolarHBondContact O-CG2 3.31Å; I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 3.2Å; I169-R172 WeakPolarHBondContact O-CB 3.22Å; I169-R172 PolarHBondContact O-N 3.01Å; I169-L173 WeakPolarHBondContact O-CG 3.49Å; I169-L173 PolarHBondContact O-N 2.98Å; I169-L190 HydrophobicContact CD1-CD2 3.63Å |
| 170 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A166 R172 L173 L174 | A166-G170 PolarHBondContact O-N 2.93Å; G170-R172 VanDerWaalsContact C-N 3.33Å; G170-R172 PolarHBondContact O-N 3.25Å; G170-L173 PolarHBondContact O-N 3.43Å; G170-L174 WeakPolarHBondContact O-CG 3.07Å; G170-L174 PolarHBondContact O-N 2.99Å |
| 171 | N | 98.1 | Very high | 97.1 | Very high | 73 Ų | 73 | 34 Ų | 34 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68 | -28.6 | 174.6 | -73.1 | -30.1 | 0 | 0 | 0 | 113.5 | V167 D168 I169 P175 Y228 | V167-N171 VanDerWaalsContact CG1-ND2 3.34Å; V167-N171 WeakPolarHBondContact CG1-ND2 3.43Å; V167-N171 VanDerWaalsContact O-CB 3.28Å; V167-N171 WeakPolarHBondContact O-CB 3.5Å; V167-N171 PolarHBondContact O-N 3.38Å; V167-N171 PolarHBondContact O-ND2 3.11Å; D168-N171 PolarHBondContact O-N 3.43Å; I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 3.2Å; N171-P175 VanDerWaalsContact O-CD 3.32Å; N171-P175 WeakPolarHBondContact O-CD 3.34Å; N171-Y228 PolarHBondContact OD1-OH 3.06Å |
| 172 | R | 97.6 | Very high | 97 | Very high | 50 Ų | 50 | 32 Ų | 32 | 19% | 0.189 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.9 | -29 | 174.3 | -66.9 | 165.8 | -167.1 | -83.5 | -3 | 112.6 | F118 D119 D168 I169 G170 P175 L190 | F118-R172 WeakPolarHBondContact O-CD 3.32Å; F118-R172 PolarHBondContact O-NE 2.88Å; F118-R172 PolarHBondContact O-NH1 3.37Å; D119-R172 IonicContact OD1-NH1 3.95Å; D168-R172 WeakPolarHBondContact O-CG 3.33Å; D168-R172 PolarHBondContact O-N 3.1Å; D168-R172 IonicContact OD1-CZ 2.72Å; D168-R172 VanDerWaalsContact OD1-CZ 3.25Å; D168-R172 IonicContact OD1-NE 3.8Å; D168-R172 PolarHBondContact OD1-NE 2.89Å; D168-R172 IonicContact OD1-NH2 4Å; D168-R172 PolarHBondContact OD1-NH2 3.22Å; D168-R172 IonicContact OD2-CZ 3.2Å; D168-R172 IonicContact OD2-NE 2.78Å; D168-R172 PolarHBondContact OD2-NE 2.92Å; D168-R172 IonicContact OD2-NH2 3.53Å; D168-R172 PolarHBondContact OD2-NH2 3.2Å; I169-R172 WeakPolarHBondContact O-CB 3.22Å; I169-R172 PolarHBondContact O-N 3.01Å; G170-R172 VanDerWaalsContact C-N 3.33Å; G170-R172 PolarHBondContact O-N 3.25Å; R172-P175 WeakPolarHBondContact O-CD 3.28Å; R172-L190 HydrophobicContact CB-CD2 4.18Å; R172-L190 VanDerWaalsContact CD-O 3.29Å; R172-L190 WeakPolarHBondContact CD-O 3.41Å; R172-L190 WeakPolarHBondContact CG-O 3.48Å; R172-L190 PolarHBondContact NH1-O 3.24Å |
| 173 | L | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -80.1 | -30.5 | 173.8 | -61.7 | -173.9 | 0 | 0 | 0 | 113.2 | V126 T129 N130 I169 G170 P175 A176 I188 F216 | V126-L173 HydrophobicContact CG1-CD2 4.42Å; V126-L173 HydrophobicContact CG2-CD2 4.42Å; T129-L173 HydrophobicContact CG2-CD1 4.18Å; T129-L173 HydrophobicContact CG2-CD2 4Å; T129-L173 HydrophobicContact CG2-CG 4.45Å; N130-L173 HydrophobicContact CB-CD1 4.16Å; I169-L173 WeakPolarHBondContact O-CG 3.49Å; I169-L173 PolarHBondContact O-N 2.98Å; G170-L173 PolarHBondContact O-N 3.43Å; L173-P175 VanDerWaalsContact C-CD 3.48Å; L173-A176 WeakPolarHBondContact O-CB 3.14Å; L173-A176 PolarHBondContact O-N 3.27Å; L173-I188 HydrophobicContact CD2-CG2 3.77Å; L173-F216 HydrophobicContact CB-CZ 4Å; L173-F216 HydrophobicContact CD1-CE2 4.37Å |
| 174 | L | 97.2 | Very high | 96.9 | Very high | 20 Ų | 20 | 31 Ų | 31 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -48.4 | -43.8 | -178.6 | -89.8 | 178.5 | 0 | 0 | 0 | 115.5 | G170 A176 F177 F216 I227 Y228 K231 | G170-L174 WeakPolarHBondContact O-CG 3.07Å; G170-L174 PolarHBondContact O-N 2.99Å; L174-A176 PolarHBondContact O-N 2.87Å; L174-A176 VanDerWaalsContact O-N 3.15Å; L174-F177 PolarHBondContact O-N 2.91Å; L174-F216 HydrophobicContact CD2-CE1 4.27Å; L174-I227 HydrophobicContact CD1-CD1 4.28Å; L174-I227 HydrophobicContact CD1-CG2 3.9Å; L174-I227 HydrophobicContact CD2-CG1 4.31Å; L174-I227 HydrophobicContact CD2-CG2 4.38Å; L174-Y228 HydrophobicContact CD1-CD1 3.9Å; L174-Y228 HydrophobicContact CD1-CE1 3.52Å; L174-Y228 HydrophobicContact CD2-CD1 3.92Å; L174-Y228 HydrophobicContact CD2-CE1 4.4Å; L174-Y228 HydrophobicContact CG-CD1 3.84Å; L174-Y228 HydrophobicContact CG-CE1 3.85Å; L174-K231 HydrophobicContact CD2-CB 4.43Å; L174-K231 HydrophobicContact CD2-CG 3.93Å |
| 175 | P | 96.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 25.3 Ų | 25.3 | 28% | 0.279 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -61.7 | -18.8 | 178.6 | -25.6 | 35.7 | 0 | 0 | 0 | 114.6 | N171 R172 L173 F177 D178 I188 | N171-P175 VanDerWaalsContact O-CD 3.32Å; N171-P175 WeakPolarHBondContact O-CD 3.34Å; R172-P175 WeakPolarHBondContact O-CD 3.28Å; L173-P175 VanDerWaalsContact C-CD 3.48Å; P175-F177 PolarHBondContact O-N 2.98Å; P175-D178 PolarHBondContact O-N 3.19Å; P175-I188 HydrophobicContact CB-CD1 4.32Å |
| 176 | A | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -60.3 | -31.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V126 L173 L174 D178 P184 Y185 I188 | V126-A176 HydrophobicContact CG1-CB 4.09Å; V126-A176 HydrophobicContact CG2-CB 3.71Å; L173-A176 WeakPolarHBondContact O-CB 3.14Å; L173-A176 PolarHBondContact O-N 3.27Å; L174-A176 PolarHBondContact O-N 2.87Å; L174-A176 VanDerWaalsContact O-N 3.15Å; A176-D178 VanDerWaalsContact C-N 3.29Å; A176-D178 PolarHBondContact O-N 3.34Å; A176-P184 HydrophobicContact CB-CB 4.03Å; A176-P184 CarbonylContact O-C 3.17Å; A176-P184 VanDerWaalsContact O-CA 3.28Å; A176-P184 WeakPolarHBondContact O-CA 3.25Å; A176-Y185 VanDerWaalsContact O-CD2 3.23Å; A176-Y185 WeakPolarHBondContact O-CD2 3.33Å; A176-Y185 PolarHBondContact O-N 3.01Å; A176-I188 HydrophobicContact CB-CD1 4.27Å |
| 177 | F | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -84.2 | 8.8 | 179.7 | -61.5 | -102.4 | 0 | 0 | 0 | 113.9 | L174 P175 T179 P184 M212 F216 K231 A235 | L174-F177 PolarHBondContact O-N 2.91Å; P175-F177 PolarHBondContact O-N 2.98Å; F177-T179 PolarHBondContact O-N 3.45Å; F177-T179 VanDerWaalsContact O-N 3.14Å; F177-P184 HydrophobicContact CD1-CB 4.02Å; F177-P184 HydrophobicContact CD1-CG 4.23Å; F177-P184 HydrophobicContact CD2-CB 4.14Å; F177-P184 HydrophobicContact CE1-CB 4.02Å; F177-P184 HydrophobicContact CE1-CG 3.88Å; F177-P184 HydrophobicContact CE2-CB 4.12Å; F177-P184 HydrophobicContact CG-CB 4.09Å; F177-P184 HydrophobicContact CZ-CB 4.08Å; F177-P184 HydrophobicContact CZ-CG 4.11Å; F177-M212 HydrophobicContact CE2-CE 3.92Å; F177-M212 HydrophobicContact CZ-CB 4.11Å; F177-M212 HydrophobicContact CZ-CE 3.72Å; F177-M212 HydrophobicContact CZ-CG 4Å; F177-F216 HydrophobicContact CD2-CE1 4.18Å; F177-F216 HydrophobicContact CE2-CD1 4.23Å; F177-F216 AromaticContact CE2-CE1 3.35Å; F177-F216 HydrophobicContact CE2-CE1 3.35Å; F177-F216 AromaticContact CE2-CZ 3.7Å; F177-F216 HydrophobicContact CE2-CZ 3.7Å; F177-F216 HydrophobicContact CZ-CD1 4.16Å; F177-F216 AromaticContact CZ-CE1 3.72Å; F177-F216 HydrophobicContact CZ-CE1 3.72Å; F177-F216 HydrophobicContact CZ-CZ 4.2Å; F177-K231 HydrophobicContact CB-CB 4.32Å; F177-K231 HydrophobicContact CB-CD 3.72Å; F177-K231 HydrophobicContact CB-CG 4.38Å; F177-K231 HydrophobicContact CD1-CB 4.01Å; F177-K231 HydrophobicContact CE1-CB 4.42Å; F177-K231 HydrophobicContact CG-CB 4.09Å; F177-K231 HydrophobicContact CG-CD 4.42Å; F177-K231 PolarHBondContact O-NZ 2.89Å; F177-A235 HydrophobicContact CE1-CB 4.23Å |
| 178 | D | 94.9 | Very high | 96.4 | Very high | 108 Ų | 108 | 24.8 Ų | 24.8 | 58% | 0.578 | 13% | 0.134 | S | C | * | . | trans | -87.7 | 53.3 | 175.3 | -70.1 | -30.7 | 0 | 0 | 0 | 111.4 | P175 A176 K231 | P175-D178 PolarHBondContact O-N 3.19Å; A176-D178 VanDerWaalsContact C-N 3.29Å; A176-D178 PolarHBondContact O-N 3.34Å; D178-K231 IonicContact OD1-NZ 3.19Å; D178-K231 PolarHBondContact OD1-NZ 3.41Å | ||
| 179 | T | 94.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -106.4 | 158.4 | 174.7 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | F177 T181 G182 I183 Y185 V256 | F177-T179 PolarHBondContact O-N 3.45Å; F177-T179 VanDerWaalsContact O-N 3.14Å; T179-T181 VanDerWaalsContact C-N 3.26Å; T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 PolarHBondContact OG1-OG1 3.35Å; T179-G182 PolarHBondContact O-N 3.27Å; T179-G182 WeakPolarHBondContact OG1-CA 3.33Å; T179-G182 PolarHBondContact OG1-N 2.87Å; T179-I183 WeakPolarHBondContact CB-O 3.4Å; T179-I183 WeakPolarHBondContact CG2-O 3.44Å; T179-I183 PolarHBondContact OG1-N 3.36Å; T179-I183 PolarHBondContact OG1-O 2.84Å; T179-Y185 HydrophobicContact CG2-CD1 4.31Å; T179-Y185 HydrophobicContact CG2-CD2 3.67Å; T179-Y185 HydrophobicContact CG2-CE1 4.1Å; T179-Y185 HydrophobicContact CG2-CE2 3.44Å; T179-Y185 VanDerWaalsContact CG2-CE2 3.44Å; T179-Y185 HydrophobicContact CG2-CG 4.1Å; T179-V256 HydrophobicContact CG2-CB 3.97Å; T179-V256 HydrophobicContact CG2-CG2 3.66Å |
| 180 | P | 93.6 | Very high | 96.2 | Very high | 84 Ų | 84 | 22.4 Ų | 22.4 | 55% | 0.545 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -56.5 | -39.8 | 175.6 | -23.5 | 32.7 | 0 | 0 | 0 | 112.9 | ||
| 181 | T | 93.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -74.1 | -36.4 | 178.4 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | T179 I183 K234 F238 V256 | T179-T181 VanDerWaalsContact C-N 3.26Å; T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 PolarHBondContact OG1-OG1 3.35Å; T181-I183 WeakPolarHBondContact OG1-CB 3.49Å; T181-I183 WeakPolarHBondContact OG1-CG1 3.22Å; T181-I183 PolarHBondContact OG1-N 2.96Å; T181-K234 WeakPolarHBondContact O-CE 3.42Å; T181-K234 PolarHBondContact O-NZ 3.01Å; T181-F238 HydrophobicContact CG2-CE1 3.79Å; T181-F238 HydrophobicContact CG2-CE2 3.76Å; T181-F238 HydrophobicContact CG2-CZ 3.33Å; T181-V256 WeakPolarHBondContact CG2-O 3.43Å; T181-V256 PolarHBondContact OG1-O 3.21Å |
| 182 | G | 95.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | trans | 88.8 | 2.3 | -165 | 0 | 0 | 0 | 0 | 0 | 114.3 | T179 | T179-G182 PolarHBondContact O-N 3.27Å; T179-G182 WeakPolarHBondContact OG1-CA 3.33Å; T179-G182 PolarHBondContact OG1-N 2.87Å | ||
| 183 | I | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 135.9 | 164.5 | -63.7 | 173.2 | 0 | 0 | 0 | 108.3 | T179 T181 T204 A209 F238 I254 V256 | T179-I183 WeakPolarHBondContact CB-O 3.4Å; T179-I183 WeakPolarHBondContact CG2-O 3.44Å; T179-I183 PolarHBondContact OG1-N 3.36Å; T179-I183 PolarHBondContact OG1-O 2.84Å; T181-I183 WeakPolarHBondContact OG1-CB 3.49Å; T181-I183 WeakPolarHBondContact OG1-CG1 3.22Å; T181-I183 PolarHBondContact OG1-N 2.96Å; I183-T204 HydrophobicContact CG2-CG2 3.45Å; I183-T204 VanDerWaalsContact CG2-CG2 3.45Å; I183-A209 HydrophobicContact CG2-CB 3.69Å; I183-F238 HydrophobicContact CD1-CD1 3.56Å; I183-F238 HydrophobicContact CD1-CE1 3.76Å; I183-F238 HydrophobicContact CD1-CG 4.49Å; I183-F238 HydrophobicContact CG1-CD1 3.86Å; I183-F238 HydrophobicContact CG1-CE1 4.42Å; I183-F238 HydrophobicContact CG1-CG 4.35Å; I183-I254 HydrophobicContact CD1-CD1 3.59Å; I183-I254 HydrophobicContact CD1-CG1 3.89Å; I183-I254 HydrophobicContact CD1-CG2 4.01Å; I183-V256 HydrophobicContact CB-CB 4.29Å; I183-V256 HydrophobicContact CB-CG1 4.28Å; I183-V256 HydrophobicContact CG2-CB 4.24Å; I183-V256 HydrophobicContact CG2-CG1 3.68Å |
| 184 | P | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 141.6 | 175.5 | 28 | -34.2 | 0 | 0 | 0 | 112.7 | V126 A176 F177 A209 | V126-P184 HydrophobicContact CG1-CB 4.31Å; A176-P184 HydrophobicContact CB-CB 4.03Å; A176-P184 CarbonylContact O-C 3.17Å; A176-P184 VanDerWaalsContact O-CA 3.28Å; A176-P184 WeakPolarHBondContact O-CA 3.25Å; F177-P184 HydrophobicContact CD1-CB 4.02Å; F177-P184 HydrophobicContact CD1-CG 4.23Å; F177-P184 HydrophobicContact CD2-CB 4.14Å; F177-P184 HydrophobicContact CE1-CB 4.02Å; F177-P184 HydrophobicContact CE1-CG 3.88Å; F177-P184 HydrophobicContact CE2-CB 4.12Å; F177-P184 HydrophobicContact CG-CB 4.09Å; F177-P184 HydrophobicContact CZ-CB 4.08Å; F177-P184 HydrophobicContact CZ-CG 4.11Å; P184-A209 HydrophobicContact CG-CB 4.42Å |
| 185 | Y | 96.7 | Very high | 95 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 147.4 | 161.1 | -68.6 | -74.3 | 0 | 0 | 0 | 110.1 | V126 A176 T179 R187 Y194 V256 R257 | V126-Y185 WeakPolarHBondContact CG2-O 3.26Å; A176-Y185 VanDerWaalsContact O-CD2 3.23Å; A176-Y185 WeakPolarHBondContact O-CD2 3.33Å; A176-Y185 PolarHBondContact O-N 3.01Å; T179-Y185 HydrophobicContact CG2-CD1 4.31Å; T179-Y185 HydrophobicContact CG2-CD2 3.67Å; T179-Y185 HydrophobicContact CG2-CE1 4.1Å; T179-Y185 HydrophobicContact CG2-CE2 3.44Å; T179-Y185 VanDerWaalsContact CG2-CE2 3.44Å; T179-Y185 HydrophobicContact CG2-CG 4.1Å; Y185-R187 VanDerWaalsContact C-N 3.26Å; Y185-R187 PolarHBondContact O-N 3.12Å; Y185-Y194 HydrophobicContact CD1-CD2 4.1Å; Y185-Y194 AromaticContact CD1-CE2 3.54Å; Y185-Y194 HydrophobicContact CD1-CE2 3.54Å; Y185-Y194 AromaticContact CD2-CD2 3.43Å; Y185-Y194 HydrophobicContact CD2-CD2 3.43Å; Y185-Y194 VanDerWaalsContact CD2-CD2 3.43Å; Y185-Y194 AromaticContact CD2-CE2 3.71Å; Y185-Y194 HydrophobicContact CD2-CE2 3.71Å; Y185-Y194 HydrophobicContact CD2-CG 4.36Å; Y185-Y194 HydrophobicContact CE1-CD2 4.06Å; Y185-Y194 AromaticContact CE1-CE2 3.28Å; Y185-Y194 HydrophobicContact CE1-CE2 3.28Å; Y185-Y194 AromaticContact CE1-CZ 3.85Å; Y185-Y194 AromaticContact CE2-CD2 3.36Å; Y185-Y194 HydrophobicContact CE2-CD2 3.36Å; Y185-Y194 AromaticContact CE2-CE2 3.45Å; Y185-Y194 HydrophobicContact CE2-CE2 3.45Å; Y185-Y194 VanDerWaalsContact CE2-CE2 3.45Å; Y185-Y194 HydrophobicContact CE2-CG 4.04Å; Y185-Y194 AromaticContact CG-CD2 3.82Å; Y185-Y194 HydrophobicContact CG-CD2 3.82Å; Y185-Y194 AromaticContact CG-CE2 3.77Å; Y185-Y194 HydrophobicContact CG-CE2 3.77Å; Y185-Y194 AromaticContact CZ-CD2 3.7Å; Y185-Y194 AromaticContact CZ-CE2 3.23Å; Y185-Y194 AromaticContact CZ-CZ 3.67Å; Y185-V256 HydrophobicContact CD1-CG2 3.54Å; Y185-V256 HydrophobicContact CE1-CG2 3.51Å; Y185-V256 HydrophobicContact CG-CG2 4.33Å; Y185-R257 PolarHBondContact OH-NH1 2.95Å |
| 186 | P | 95.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -66.6 | -27.6 | -176.6 | 29.4 | -38.1 | 0 | 0 | 0 | 113.3 | V126 E201 N203 | V126-P186 PolarHBondContact N-O 2.82Å; P186-E201 WeakPolarHBondContact CD-O 3.26Å; P186-E201 HydrophobicContact CG-CB 4.1Å; P186-E201 HydrophobicContact CG-CG 4.2Å; P186-N203 WeakPolarHBondContact CG-O 3.34Å |
| 187 | R | 95.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.8 | -177.1 | -65.1 | -179.3 | -179.4 | 91.1 | -1.2 | 111.4 | D77 D80 V124 Y185 L197 E201 | D77-R187 IonicContact OD1-CZ 2.61Å; D77-R187 IonicContact OD1-NH2 3.25Å; D77-R187 PolarHBondContact OD1-NH2 3.24Å; D80-R187 IonicContact OD2-CZ 3.73Å; D80-R187 IonicContact OD2-NE 3.24Å; D80-R187 PolarHBondContact OD2-NE 3.23Å; D80-R187 IonicContact OD2-NH2 2.62Å; D80-R187 PolarHBondContact OD2-NH2 3.01Å; V124-R187 CarbonylContact O-C 3.18Å; V124-R187 WeakPolarHBondContact O-CA 3.44Å; V124-R187 WeakPolarHBondContact O-CB 3.36Å; Y185-R187 VanDerWaalsContact C-N 3.26Å; Y185-R187 PolarHBondContact O-N 3.12Å; R187-L197 HydrophobicContact CB-CD2 3.96Å; R187-E201 IonicContact NH1-OE2 2.8Å; R187-E201 PolarHBondContact NH1-OE2 2.8Å |
| 188 | I | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 147.1 | 171.7 | -156.5 | 68.5 | 0 | 0 | 0 | 110 | D123 V124 V126 L173 P175 A176 G193 Y194 | D123-I188 WeakPolarHBondContact CA-O 3.18Å; V124-I188 HydrophobicContact CG2-CG2 4.23Å; V124-I188 PolarHBondContact N-O 2.97Å; V124-I188 PolarHBondContact O-N 2.78Å; V126-I188 HydrophobicContact CG2-CB 3.85Å; V126-I188 HydrophobicContact CG2-CG2 3.89Å; L173-I188 HydrophobicContact CD2-CG2 3.77Å; P175-I188 HydrophobicContact CB-CD1 4.32Å; A176-I188 HydrophobicContact CB-CD1 4.27Å; I188-G193 VanDerWaalsContact CD1-C 3.5Å; I188-Y194 VanDerWaalsContact CD1-N 3.3Å |
| 189 | N | 96.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.6 | 168.5 | -174.9 | -76.7 | 0 | 0 | 0 | 109.5 | D121 V122 D123 R191 H192 G193 | D121-N189 PolarHBondContact OD1-ND2 2.93Å; D121-N189 PolarHBondContact OD1-OD1 2.93Å; V122-N189 WeakPolarHBondContact O-CA 3.29Å; D123-N189 WeakPolarHBondContact OD1-CB 3.32Å; D123-N189 PolarHBondContact OD1-ND2 3.32Å; N189-R191 VanDerWaalsContact C-N 3.26Å; N189-R191 PolarHBondContact O-N 3.02Å; N189-R191 PolarHBondContact OD1-N 2.96Å; N189-R191 VanDerWaalsContact OD1-N 3.09Å; N189-H192 HydrophobicContact CB-CB 4.48Å; N189-H192 PolarHBondContact OD1-N 3.38Å; N189-G193 VanDerWaalsContact CB-O 3.31Å; N189-G193 WeakPolarHBondContact CB-O 3.31Å; N189-G193 PolarHBondContact N-O 2.94Å; N189-G193 WeakPolarHBondContact O-CA 3.23Å; N189-G193 PolarHBondContact O-N 3.2Å |
| 190 | L | 96 | Very high | 92.7 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.6 | -172.3 | -73.2 | -174.6 | 0 | 0 | 0 | 114.8 | F85 F118 S120 V122 V124 I169 R172 | F85-L190 HydrophobicContact CD1-CD1 4.12Å; F85-L190 HydrophobicContact CE1-CD1 4.1Å; F118-L190 WeakPolarHBondContact O-CB 3.31Å; S120-L190 WeakPolarHBondContact O-CB 3.47Å; V122-L190 HydrophobicContact CG1-CB 4.24Å; V122-L190 HydrophobicContact CG1-CD1 3.83Å; V122-L190 HydrophobicContact CG1-CG 4.14Å; V122-L190 PolarHBondContact O-N 2.96Å; V124-L190 HydrophobicContact CG1-CD1 4.01Å; V124-L190 HydrophobicContact CG1-CG 4.11Å; V124-L190 HydrophobicContact CG2-CD1 4.31Å; V124-L190 HydrophobicContact CG2-CD2 3.63Å; V124-L190 HydrophobicContact CG2-CG 3.75Å; I169-L190 HydrophobicContact CD1-CD2 3.63Å; R172-L190 HydrophobicContact CB-CD2 4.18Å; R172-L190 VanDerWaalsContact CD-O 3.29Å; R172-L190 WeakPolarHBondContact CD-O 3.41Å; R172-L190 WeakPolarHBondContact CG-O 3.48Å; R172-L190 PolarHBondContact NH1-O 3.24Å |
| 191 | R | 95.3 | Very high | 92.4 | Very high | 112 Ų | 112 | 40.9 Ų | 40.9 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -43.6 | 175.6 | 176.8 | 178.7 | -69.8 | 157 | 0.9 | 113 | D119 S120 N189 | D119-R191 PolarHBondContact O-NH2 3.12Å; D119-R191 WeakPolarHBondContact OD1-CG 3.37Å; D119-R191 IonicContact OD1-CZ 3.43Å; D119-R191 IonicContact OD1-NE 2.9Å; D119-R191 PolarHBondContact OD1-NE 3.17Å; D119-R191 IonicContact OD1-NH2 2.77Å; S120-R191 WeakPolarHBondContact O-CB 3.3Å; S120-R191 PolarHBondContact O-N 2.72Å; N189-R191 VanDerWaalsContact C-N 3.26Å; N189-R191 PolarHBondContact O-N 3.02Å; N189-R191 PolarHBondContact OD1-N 2.96Å; N189-R191 VanDerWaalsContact OD1-N 3.09Å |
| 192 | H | 95.6 | Very high | 92.3 | Very high | 94 Ų | 94 | 43.5 Ų | 43.5 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 5.4 | -166.3 | -67.8 | -58.1 | 0 | 0 | 0 | 114 | D121 N189 S195 G196 | D121-H192 IonicContact OD1-CD2 3.92Å; N189-H192 HydrophobicContact CB-CB 4.48Å; N189-H192 PolarHBondContact OD1-N 3.38Å; H192-S195 PolarHBondContact O-N 2.88Å; H192-S195 PolarHBondContact O-OG 3.46Å; H192-G196 PolarHBondContact O-N 2.83Å |
| 193 | G | 94 | Very high | 92.3 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | 62.1 | -147.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I188 N189 S195 G196 | I188-G193 VanDerWaalsContact CD1-C 3.5Å; N189-G193 VanDerWaalsContact CB-O 3.31Å; N189-G193 WeakPolarHBondContact CB-O 3.31Å; N189-G193 PolarHBondContact N-O 2.94Å; N189-G193 WeakPolarHBondContact O-CA 3.23Å; N189-G193 PolarHBondContact O-N 3.2Å; G193-S195 PolarHBondContact O-N 2.86Å; G193-G196 PolarHBondContact O-N 2.85Å |
| 194 | Y | 89.9 | Confident | 92.3 | Very high | 45 Ų | 45 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -62.9 | -32.6 | 178.1 | -178.5 | -95.4 | 0 | 0 | 0 | 112.5 | Y185 I188 G196 L197 Q200 R257 | Y185-Y194 HydrophobicContact CD1-CD2 4.1Å; Y185-Y194 AromaticContact CD1-CE2 3.54Å; Y185-Y194 HydrophobicContact CD1-CE2 3.54Å; Y185-Y194 AromaticContact CD2-CD2 3.43Å; Y185-Y194 HydrophobicContact CD2-CD2 3.43Å; Y185-Y194 VanDerWaalsContact CD2-CD2 3.43Å; Y185-Y194 AromaticContact CD2-CE2 3.71Å; Y185-Y194 HydrophobicContact CD2-CE2 3.71Å; Y185-Y194 HydrophobicContact CD2-CG 4.36Å; Y185-Y194 HydrophobicContact CE1-CD2 4.06Å; Y185-Y194 AromaticContact CE1-CE2 3.28Å; Y185-Y194 HydrophobicContact CE1-CE2 3.28Å; Y185-Y194 AromaticContact CE1-CZ 3.85Å; Y185-Y194 AromaticContact CE2-CD2 3.36Å; Y185-Y194 HydrophobicContact CE2-CD2 3.36Å; Y185-Y194 AromaticContact CE2-CE2 3.45Å; Y185-Y194 HydrophobicContact CE2-CE2 3.45Å; Y185-Y194 VanDerWaalsContact CE2-CE2 3.45Å; Y185-Y194 HydrophobicContact CE2-CG 4.04Å; Y185-Y194 AromaticContact CG-CD2 3.82Å; Y185-Y194 HydrophobicContact CG-CD2 3.82Å; Y185-Y194 AromaticContact CG-CE2 3.77Å; Y185-Y194 HydrophobicContact CG-CE2 3.77Å; Y185-Y194 AromaticContact CZ-CD2 3.7Å; Y185-Y194 AromaticContact CZ-CE2 3.23Å; Y185-Y194 AromaticContact CZ-CZ 3.67Å; I188-Y194 VanDerWaalsContact CD1-N 3.3Å; Y194-G196 PolarHBondContact O-N 3.26Å; Y194-L197 HydrophobicContact CD2-CD1 3.69Å; Y194-L197 HydrophobicContact CE2-CD1 4Å; Y194-L197 HydrophobicContact CG-CD1 4.44Å; Y194-L197 PolarHBondContact O-N 3.33Å; Y194-Q200 HydrophobicContact CE1-CG 4.19Å; Y194-Q200 HydrophobicContact CE2-CG 4.26Å; Y194-Q200 VanDerWaalsContact CZ-OE1 3.28Å; Y194-Q200 VanDerWaalsContact OH-CD 3.31Å; Y194-Q200 PolarHBondContact OH-OE1 2.96Å; Y194-R257 PolarHBondContact OH-NH2 2.92Å; Y194-R257 VanDerWaalsContact OH-NH2 3.11Å |
| 195 | S | 89.5 | Confident | 92.2 | Very high | 108 Ų | 108 | 45 Ų | 45 | 76% | 0.755 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -68.1 | -16.5 | 177.3 | 31.2 | 0 | 0 | 0 | 0 | 114.9 | H192 G193 | H192-S195 PolarHBondContact O-N 2.88Å; H192-S195 PolarHBondContact O-OG 3.46Å; G193-S195 PolarHBondContact O-N 2.86Å |
| 196 | G | 88.4 | Confident | 92.3 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -88.2 | -14.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | H192 G193 Y194 T198 | H192-G196 PolarHBondContact O-N 2.83Å; G193-G196 PolarHBondContact O-N 2.85Å; Y194-G196 PolarHBondContact O-N 3.26Å; G196-T198 PolarHBondContact O-N 2.85Å |
| 197 | L | 89.7 | Confident | 92.4 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | trans | -60.3 | 122.8 | -170.3 | -73.8 | 174.8 | 0 | 0 | 0 | 112.6 | D123 R187 Y194 K199 Q200 | D123-L197 HydrophobicContact CB-CD2 4.14Å; R187-L197 HydrophobicContact CB-CD2 3.96Å; Y194-L197 HydrophobicContact CD2-CD1 3.69Å; Y194-L197 HydrophobicContact CE2-CD1 4Å; Y194-L197 HydrophobicContact CG-CD1 4.44Å; Y194-L197 PolarHBondContact O-N 3.33Å; L197-K199 PolarHBondContact O-N 3.43Å; L197-Q200 HydrophobicContact CB-CG 4.2Å | ||
| 198 | T | 84.2 | Confident | 92.4 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 82% | 0.816 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -61.2 | -33.2 | 174 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | D123 G196 | D123-T198 WeakPolarHBondContact OD2-CB 3.34Å; D123-T198 WeakPolarHBondContact OD2-CG2 3.39Å; D123-T198 PolarHBondContact OD2-N 3.4Å; D123-T198 PolarHBondContact OD2-OG1 2.96Å; G196-T198 PolarHBondContact O-N 2.85Å |
| 199 | K | 83.7 | Confident | 92.4 | Very high | 109 Ų | 109 | 43.2 Ų | 43.2 | 47% | 0.474 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -135.8 | 111.5 | 172.3 | -179.7 | -163.8 | 174.9 | -152.5 | 0 | 108.5 | L197 E201 | L197-K199 PolarHBondContact O-N 3.43Å; K199-E201 IonicContact NZ-OE2 2.69Å; K199-E201 PolarHBondContact NZ-OE2 3.31Å; K199-E201 PolarHBondContact O-N 2.83Å |
| 200 | Q | 85.4 | Confident | 92.4 | Very high | 106 Ų | 106 | 43 Ų | 43 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | trans | -72.9 | 119.6 | 169.3 | -67.2 | -179.3 | 19.9 | 0 | 0 | 108.8 | Y194 L197 | Y194-Q200 HydrophobicContact CE1-CG 4.19Å; Y194-Q200 HydrophobicContact CE2-CG 4.26Å; Y194-Q200 VanDerWaalsContact CZ-OE1 3.28Å; Y194-Q200 VanDerWaalsContact OH-CD 3.31Å; Y194-Q200 PolarHBondContact OH-OE1 2.96Å; L197-Q200 HydrophobicContact CB-CG 4.2Å | ||
| 201 | E | 86.5 | Confident | 92.5 | Very high | 20 Ų | 20 | 43 Ų | 43 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | trans | -120.1 | 126.2 | 177 | -175.7 | 162.6 | 174.4 | 0 | 0 | 109.7 | P186 R187 K199 S1279 | P186-E201 WeakPolarHBondContact CD-O 3.26Å; P186-E201 HydrophobicContact CG-CB 4.1Å; P186-E201 HydrophobicContact CG-CG 4.2Å; R187-E201 IonicContact NH1-OE2 2.8Å; R187-E201 PolarHBondContact NH1-OE2 2.8Å; K199-E201 IonicContact NZ-OE2 2.69Å; K199-E201 PolarHBondContact NZ-OE2 3.31Å; K199-E201 PolarHBondContact O-N 2.83Å; E201-S1279 WeakPolarHBondContact OE1-CB 3.49Å; E201-S1279 PolarHBondContact OE1-OG 2.99Å | ||
| 202 | E | 91.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 37.7 Ų | 37.7 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | trans | -98.9 | 2.1 | -172.2 | -52.9 | -166.7 | 174 | 0 | 0 | 113.2 | N255 V256 R257 | E202-N255 WeakPolarHBondContact CB-ND2 3.49Å; E202-N255 CarbonylContact O-C 2.85Å; E202-N255 VanDerWaalsContact O-CA 3.32Å; E202-N255 WeakPolarHBondContact O-CA 3.34Å; E202-N255 PolarHBondContact O-ND2 2.97Å; E202-V256 WeakPolarHBondContact O-CG2 3.43Å; E202-V256 PolarHBondContact O-N 2.85Å; E202-R257 IonicContact OE1-CZ 3.77Å; E202-R257 IonicContact OE1-NE 2.75Å; E202-R257 PolarHBondContact OE1-NE 3.3Å; E202-R257 IonicContact OE1-NH2 2.72Å; E202-R257 PolarHBondContact OE1-NH2 3.35Å; E202-R257 WeakPolarHBondContact OE2-CD 3.42Å; E202-R257 WeakPolarHBondContact OE2-CG 3.47Å; E202-R257 IonicContact OE2-CZ 3.43Å; E202-R257 IonicContact OE2-NE 3.18Å; E202-R257 PolarHBondContact OE2-NE 3.33Å | ||
| 203 | N | 95.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.5 | -176.5 | -59.4 | -27 | 0 | 0 | 0 | 109 | P186 V253 I254 N255 E1277 | P186-N203 WeakPolarHBondContact CG-O 3.34Å; N203-V253 HydrophobicContact CB-CG1 3.81Å; N203-I254 WeakPolarHBondContact CA-O 3.44Å; N203-N255 WeakPolarHBondContact OD1-CB 3.46Å; N203-N255 PolarHBondContact OD1-ND2 2.9Å; N203-E1277 PolarHBondContact ND2-OE1 2.89Å |
| 204 | T | 95.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 159.3 | 179.4 | -163.1 | 0 | 0 | 0 | 0 | 110.8 | I183 C208 A209 V253 I254 V256 | I183-T204 HydrophobicContact CG2-CG2 3.45Å; I183-T204 VanDerWaalsContact CG2-CG2 3.45Å; T204-C208 WeakPolarHBondContact OG1-CB 3.32Å; T204-A209 HydrophobicContact CG2-CB 4.05Å; T204-V253 WeakPolarHBondContact O-CA 3.17Å; T204-V253 WeakPolarHBondContact O-CG1 3.46Å; T204-I254 HydrophobicContact CG2-CG2 3.91Å; T204-I254 PolarHBondContact N-O 2.78Å; T204-I254 PolarHBondContact O-N 2.63Å; T204-V256 HydrophobicContact CG2-CG1 3.66Å |
| 205 | C | 96.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 30.4 Ų | 30.4 | 16% | 0.155 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 160.2 | 177.5 | 85.4 | 0 | 0 | 0 | 0 | 112.7 | C208 A209 R252 | C205-C208 HydrophobicContact CB-CB 4.03Å; C205-C208 WeakPolarHBondContact CB-SG 3.41Å; C205-C208 VanDerWaalsContact O-CB 3.31Å; C205-C208 WeakPolarHBondContact O-CB 3.44Å; C205-C208 PolarHBondContact O-N 2.86Å; C205-C208 WeakPolarHBondContact SG-CB 3.23Å; C205-C208 PolarHBondContact SG-N 3.11Å; C205-C208 CovalentContact SG-SG 2.05Å; C205-C208 PolarHBondContact SG-SG 3.17Å; C205-A209 PolarHBondContact O-N 3.47Å; C205-A209 VanDerWaalsContact O-N 3.08Å; C205-R252 WeakPolarHBondContact CA-O 3.05Å; C205-R252 WeakPolarHBondContact CB-O 3.49Å |
| 206 | T | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | -177.8 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | A209 G210 L239 V250 G251 R252 W261 G271 I272 Y275 | T206-A209 PolarHBondContact O-N 3.09Å; T206-G210 PolarHBondContact O-N 3.05Å; T206-L239 HydrophobicContact CG2-CD1 4.4Å; T206-L239 HydrophobicContact CG2-CD2 4.42Å; T206-V250 HydrophobicContact CG2-CB 4.25Å; T206-V250 HydrophobicContact CG2-CG2 3.97Å; T206-G251 WeakPolarHBondContact CB-O 3.24Å; T206-G251 PolarHBondContact OG1-O 3.43Å; T206-R252 PolarHBondContact N-O 3.47Å; T206-R252 VanDerWaalsContact N-O 3.14Å; T206-W261 VanDerWaalsContact OG1-CZ3 3.25Å; T206-W261 WeakPolarHBondContact OG1-CZ3 3.35Å; T206-G271 PolarHBondContact N-O 2.79Å; T206-G271 VanDerWaalsContact N-O 3.12Å; T206-I272 HydrophobicContact CG2-CG2 4.37Å; T206-Y275 HydrophobicContact CG2-CD1 3.88Å; T206-Y275 HydrophobicContact CG2-CD2 4.36Å; T206-Y275 HydrophobicContact CG2-CE1 4.46Å; T206-Y275 HydrophobicContact CG2-CG 3.82Å |
| 207 | A | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.4 | -51.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | A209 G210 T211 G271 D273 S274 | A207-A209 PolarHBondContact O-N 3.34Å; A207-G210 PolarHBondContact O-N 3.39Å; A207-T211 VanDerWaalsContact O-CB 3.24Å; A207-T211 WeakPolarHBondContact O-CB 3.36Å; A207-T211 PolarHBondContact O-N 2.88Å; A207-T211 PolarHBondContact O-OG1 2.9Å; A207-G271 PolarHBondContact N-O 2.95Å; A207-D273 VanDerWaalsContact CB-OD1 3.26Å; A207-D273 WeakPolarHBondContact CB-OD1 3.39Å; A207-S274 WeakPolarHBondContact CB-OG 3.3Å |
| 208 | C | 96.5 | Very high | 94.4 | Very high | 24 Ų | 24 | 23.5 Ų | 23.5 | 16% | 0.162 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -51.7 | -29.6 | 179.5 | -52.9 | 0 | 0 | 0 | 0 | 114.1 | F127 T204 C205 | F127-C208 HydrophobicContact CB-CB 4.19Å; T204-C208 WeakPolarHBondContact OG1-CB 3.32Å; C205-C208 HydrophobicContact CB-CB 4.03Å; C205-C208 WeakPolarHBondContact CB-SG 3.41Å; C205-C208 VanDerWaalsContact O-CB 3.31Å; C205-C208 WeakPolarHBondContact O-CB 3.44Å; C205-C208 PolarHBondContact O-N 2.86Å; C205-C208 WeakPolarHBondContact SG-CB 3.23Å; C205-C208 PolarHBondContact SG-N 3.11Å; C205-C208 CovalentContact SG-SG 2.05Å; C205-C208 PolarHBondContact SG-SG 3.17Å |
| 209 | A | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -98.5 | -25.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I183 P184 T204 C205 T206 A207 L239 | I183-A209 HydrophobicContact CG2-CB 3.69Å; P184-A209 HydrophobicContact CG-CB 4.42Å; T204-A209 HydrophobicContact CG2-CB 4.05Å; C205-A209 PolarHBondContact O-N 3.47Å; C205-A209 VanDerWaalsContact O-N 3.08Å; T206-A209 PolarHBondContact O-N 3.09Å; A207-A209 PolarHBondContact O-N 3.34Å; A209-L239 HydrophobicContact CB-CD1 3.94Å; A209-L239 HydrophobicContact CB-CD2 4.29Å; A209-L239 HydrophobicContact CB-CG 4.47Å |
| 210 | G | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -93.8 | -36.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T206 A207 M212 M236 | T206-G210 PolarHBondContact O-N 3.05Å; A207-G210 PolarHBondContact O-N 3.39Å; G210-M212 PolarHBondContact O-N 3.23Å; G210-M236 WeakPolarHBondContact O-CE 3.43Å |
| 211 | T | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 43.6 | -173.1 | -43.9 | 0 | 0 | 0 | 0 | 111.8 | F127 N130 I131 A207 S274 Y275 Y278 T475 | F127-T211 HydrophobicContact CE2-CG2 3.87Å; N130-T211 PolarHBondContact ND2-O 3.14Å; I131-T211 HydrophobicContact CG2-CG2 4.12Å; A207-T211 VanDerWaalsContact O-CB 3.24Å; A207-T211 WeakPolarHBondContact O-CB 3.36Å; A207-T211 PolarHBondContact O-N 2.88Å; A207-T211 PolarHBondContact O-OG1 2.9Å; T211-S274 WeakPolarHBondContact CG2-OG 3.49Å; T211-S274 VanDerWaalsContact OG1-C 3.22Å; T211-S274 VanDerWaalsContact OG1-CB 3.32Å; T211-S274 WeakPolarHBondContact OG1-CB 3.48Å; T211-S274 PolarHBondContact OG1-O 2.84Å; T211-S274 PolarHBondContact OG1-OG 3.02Å; T211-Y275 PolarHBondContact OG1-N 2.84Å; T211-Y278 VanDerWaalsContact CA-CD2 3.45Å; T211-Y278 HydrophobicContact CG2-CD1 3.84Å; T211-Y278 HydrophobicContact CG2-CD2 3.71Å; T211-Y278 HydrophobicContact CG2-CE1 3.61Å; T211-Y278 HydrophobicContact CG2-CE2 3.46Å; T211-Y278 VanDerWaalsContact CG2-CE2 3.46Å; T211-Y278 HydrophobicContact CG2-CG 3.91Å; T211-Y278 VanDerWaalsContact CG2-CZ 3.42Å; T211-T475 HydrophobicContact CG2-CG2 3.73Å |
| 212 | M | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -18.6 | 177.1 | -57.8 | -63.8 | -65 | 0 | 0 | 111.9 | V126 N130 F177 G210 F216 A232 | V126-M212 HydrophobicContact CG1-CE 3.69Å; V126-M212 HydrophobicContact CG1-SD 4.27Å; N130-M212 HydrophobicContact CB-CE 3.61Å; N130-M212 HydrophobicContact CB-SD 3.66Å; F177-M212 HydrophobicContact CE2-CE 3.92Å; F177-M212 HydrophobicContact CZ-CB 4.11Å; F177-M212 HydrophobicContact CZ-CE 3.72Å; F177-M212 HydrophobicContact CZ-CG 4Å; G210-M212 PolarHBondContact O-N 3.23Å; M212-F216 HydrophobicContact CE-CD2 4.31Å; M212-F216 HydrophobicContact CE-CE2 3.67Å; M212-F216 HydrophobicContact CE-CZ 3.81Å; M212-F216 VanDerWaalsContact O-CB 3.26Å; M212-F216 WeakPolarHBondContact O-CB 3.34Å; M212-F216 PolarHBondContact O-N 2.89Å; M212-A232 HydrophobicContact CB-CB 4.1Å |
| 213 | I | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -73.7 | -30.6 | -163.3 | -176.1 | 59.9 | 0 | 0 | 0 | 114.4 | A217 E229 A232 A233 M236 Y278 A282 L286 | I213-A217 HydrophobicContact CD1-CB 4.46Å; I213-A217 WeakPolarHBondContact O-CB 3.45Å; I213-A217 PolarHBondContact O-N 3.38Å; I213-E229 HydrophobicContact CD1-CG 4.23Å; I213-A232 HydrophobicContact CB-CB 4.26Å; I213-A232 HydrophobicContact CD1-CB 3.89Å; I213-A233 HydrophobicContact CD1-CB 4.14Å; I213-M236 HydrophobicContact CB-CG 4.3Å; I213-M236 HydrophobicContact CG2-CE 3.7Å; I213-M236 HydrophobicContact CG2-CG 4.29Å; I213-Y278 HydrophobicContact CG2-CD2 3.83Å; I213-Y278 HydrophobicContact CG2-CG 4.37Å; I213-A282 HydrophobicContact CG1-CB 4.4Å; I213-A282 HydrophobicContact CG2-CB 4.04Å; I213-L286 HydrophobicContact CD1-CD1 4.33Å; I213-L286 HydrophobicContact CG1-CD1 4.06Å |
| 214 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -71.7 | -47.9 | -177.2 | -61.2 | -175.3 | 0 | 0 | 0 | 111.6 | A218 Y278 K281 A282 L285 L480 | L214-A218 VanDerWaalsContact O-CB 3.25Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.4Å; L214-Y278 HydrophobicContact CB-CD2 4.24Å; L214-Y278 HydrophobicContact CB-CE2 3.76Å; L214-Y278 HydrophobicContact CD1-CD1 3.87Å; L214-Y278 HydrophobicContact CD1-CD2 4.06Å; L214-Y278 HydrophobicContact CD1-CE1 3.53Å; L214-Y278 HydrophobicContact CD1-CE2 3.77Å; L214-Y278 HydrophobicContact CD1-CG 4.12Å; L214-Y278 VanDerWaalsContact CD1-CZ 3.48Å; L214-Y278 HydrophobicContact CG-CD1 4.28Å; L214-Y278 HydrophobicContact CG-CD2 3.61Å; L214-Y278 HydrophobicContact CG-CE1 4.19Å; L214-Y278 HydrophobicContact CG-CE2 3.52Å; L214-Y278 HydrophobicContact CG-CG 4Å; L214-K281 HydrophobicContact CD1-CB 3.78Å; L214-K281 HydrophobicContact CD1-CD 4.21Å; L214-K281 HydrophobicContact CD2-CB 4.22Å; L214-A282 HydrophobicContact CD2-CB 3.9Å; L214-L285 HydrophobicContact CB-CD2 4.32Å; L214-L285 HydrophobicContact CD2-CB 4.27Å; L214-L285 HydrophobicContact CD2-CD2 3.86Å; L214-L480 HydrophobicContact CB-CD1 3.81Å |
| 215 | E | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.2 | -43.3 | -177 | -55.2 | 70.9 | -152.9 | 0 | 0 | 110.3 | N130 L134 L138 A218 L219 Y278 T474 | N130-E215 VanDerWaalsContact ND2-CD 3.26Å; N130-E215 PolarHBondContact ND2-OE2 3.42Å; L134-E215 HydrophobicContact CD2-CB 3.87Å; L134-E215 HydrophobicContact CG-CB 4.03Å; L138-E215 HydrophobicContact CD1-CB 4.11Å; L138-E215 WeakPolarHBondContact CD1-O 3.26Å; E215-A218 PolarHBondContact O-N 3.38Å; E215-L219 VanDerWaalsContact O-CB 3.27Å; E215-L219 WeakPolarHBondContact O-CB 3.44Å; E215-L219 PolarHBondContact O-N 3.33Å; E215-Y278 PolarHBondContact OE1-OH 2.95Å; E215-Y278 WeakPolarHBondContact OE2-CE2 3.46Å; E215-T474 HydrophobicContact CG-CG2 4.41Å; E215-T474 WeakPolarHBondContact OE1-CB 3.47Å; E215-T474 VanDerWaalsContact OE1-CG2 3.26Å; E215-T474 WeakPolarHBondContact OE1-CG2 3.41Å |
| 216 | F | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.6 | -38.3 | 176.6 | -83.8 | -136.8 | 0 | 0 | 0 | 111.3 | N130 L134 L173 L174 F177 M212 S220 Y228 A232 | N130-F216 WeakPolarHBondContact OD1-CD2 3.49Å; N130-F216 WeakPolarHBondContact OD1-CE2 3.19Å; L134-F216 HydrophobicContact CD2-CD2 3.71Å; L134-F216 HydrophobicContact CD2-CE2 3.7Å; L173-F216 HydrophobicContact CB-CZ 4Å; L173-F216 HydrophobicContact CD1-CE2 4.37Å; L174-F216 HydrophobicContact CD2-CE1 4.27Å; F177-F216 HydrophobicContact CD2-CE1 4.18Å; F177-F216 HydrophobicContact CE2-CD1 4.23Å; F177-F216 AromaticContact CE2-CE1 3.35Å; F177-F216 HydrophobicContact CE2-CE1 3.35Å; F177-F216 AromaticContact CE2-CZ 3.7Å; F177-F216 HydrophobicContact CE2-CZ 3.7Å; F177-F216 HydrophobicContact CZ-CD1 4.16Å; F177-F216 AromaticContact CZ-CE1 3.72Å; F177-F216 HydrophobicContact CZ-CE1 3.72Å; F177-F216 HydrophobicContact CZ-CZ 4.2Å; M212-F216 HydrophobicContact CE-CD2 4.31Å; M212-F216 HydrophobicContact CE-CE2 3.67Å; M212-F216 HydrophobicContact CE-CZ 3.81Å; M212-F216 VanDerWaalsContact O-CB 3.26Å; M212-F216 WeakPolarHBondContact O-CB 3.34Å; M212-F216 PolarHBondContact O-N 2.89Å; F216-S220 WeakPolarHBondContact O-CB 3.45Å; F216-S220 PolarHBondContact O-N 3.31Å; F216-S220 PolarHBondContact O-OG 2.86Å; F216-Y228 HydrophobicContact CD1-CD1 4.46Å; F216-Y228 WeakPolarHBondContact CD1-O 3.31Å; F216-Y228 HydrophobicContact CE1-CD1 4.45Å; F216-Y228 WeakPolarHBondContact O-CB 3.35Å; F216-A232 HydrophobicContact CB-CB 3.86Å; F216-A232 HydrophobicContact CD1-CB 4.24Å; F216-A232 HydrophobicContact CG-CB 4.29Å |
| 217 | A | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | I213 S220 R221 E229 L286 | I213-A217 HydrophobicContact CD1-CB 4.46Å; I213-A217 WeakPolarHBondContact O-CB 3.45Å; I213-A217 PolarHBondContact O-N 3.38Å; A217-S220 PolarHBondContact O-N 2.94Å; A217-R221 WeakPolarHBondContact O-CB 3.09Å; A217-R221 VanDerWaalsContact O-CG 3.25Å; A217-R221 WeakPolarHBondContact O-CG 3.25Å; A217-R221 PolarHBondContact O-N 3.36Å; A217-E229 HydrophobicContact CB-CB 4.32Å; A217-E229 HydrophobicContact CB-CG 3.73Å; A217-L286 HydrophobicContact CB-CD1 4.05Å; A217-L286 HydrophobicContact CB-CD2 3.54Å; A217-L286 HydrophobicContact CB-CG 4.46Å |
| 218 | A | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L138 L214 E215 S220 R221 L222 L480 L484 | L138-A218 HydrophobicContact CD1-CB 4.12Å; L214-A218 VanDerWaalsContact O-CB 3.25Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.4Å; E215-A218 PolarHBondContact O-N 3.38Å; A218-S220 PolarHBondContact O-N 3.48Å; A218-R221 PolarHBondContact O-N 3.43Å; A218-L222 VanDerWaalsContact O-CB 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.47Å; A218-L222 WeakPolarHBondContact O-CD1 3.06Å; A218-L222 VanDerWaalsContact O-CG 3.27Å; A218-L222 WeakPolarHBondContact O-CG 3.44Å; A218-L222 PolarHBondContact O-N 2.67Å; A218-L480 HydrophobicContact CB-CD1 4.08Å; A218-L480 HydrophobicContact CB-CD2 3.68Å; A218-L480 HydrophobicContact CB-CG 4.44Å; A218-L484 HydrophobicContact CB-CD1 3.79Å |
| 219 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 174.3 | -174.6 | 64.7 | 0 | 0 | 0 | 111.1 | L134 L138 L163 A166 V167 E215 R221 T223 Y228 | L134-L219 HydrophobicContact CD1-CD1 4.37Å; L134-L219 HydrophobicContact CD1-CD2 4.1Å; L134-L219 HydrophobicContact CD2-CD2 4.2Å; L138-L219 HydrophobicContact CD1-CB 4.42Å; L138-L219 HydrophobicContact CD2-CD1 4.25Å; L163-L219 HydrophobicContact CD1-CD1 4.21Å; A166-L219 HydrophobicContact CB-CD1 3.89Å; V167-L219 HydrophobicContact CG2-CD1 3.94Å; E215-L219 VanDerWaalsContact O-CB 3.27Å; E215-L219 WeakPolarHBondContact O-CB 3.44Å; E215-L219 PolarHBondContact O-N 3.33Å; L219-R221 PolarHBondContact O-N 3.39Å; L219-T223 HydrophobicContact CD1-CG2 3.78Å; L219-T223 HydrophobicContact CG-CG2 4.33Å; L219-T223 VanDerWaalsContact O-CB 3.28Å; L219-T223 WeakPolarHBondContact O-CB 3.48Å; L219-T223 WeakPolarHBondContact O-CG2 3.45Å; L219-T223 PolarHBondContact O-N 2.75Å; L219-T223 PolarHBondContact O-OG1 2.94Å; L219-Y228 HydrophobicContact CB-CD2 4.27Å; L219-Y228 HydrophobicContact CD2-CD1 3.79Å; L219-Y228 HydrophobicContact CD2-CD2 3.77Å; L219-Y228 HydrophobicContact CD2-CE1 3.76Å; L219-Y228 HydrophobicContact CD2-CE2 3.73Å; L219-Y228 HydrophobicContact CD2-CG 3.82Å; L219-Y228 HydrophobicContact CG-CD2 3.77Å; L219-Y228 HydrophobicContact CG-CE2 3.78Å; L219-Y228 HydrophobicContact CG-CG 4.25Å |
| 220 | S | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 175 | -86.6 | 0 | 0 | 0 | 0 | 113.3 | F216 A217 A218 G224 N225 P226 Y228 E229 | F216-S220 WeakPolarHBondContact O-CB 3.45Å; F216-S220 PolarHBondContact O-N 3.31Å; F216-S220 PolarHBondContact O-OG 2.86Å; A217-S220 PolarHBondContact O-N 2.94Å; A218-S220 PolarHBondContact O-N 3.48Å; S220-G224 CarbonylContact O-C 3.18Å; S220-G224 VanDerWaalsContact O-CA 3.22Å; S220-G224 WeakPolarHBondContact O-CA 3.28Å; S220-G224 PolarHBondContact O-N 2.89Å; S220-N225 VanDerWaalsContact CA-O 3.25Å; S220-N225 WeakPolarHBondContact CA-O 3.33Å; S220-N225 VanDerWaalsContact CB-O 3.23Å; S220-N225 WeakPolarHBondContact CB-O 3.39Å; S220-N225 PolarHBondContact O-N 2.79Å; S220-N225 PolarHBondContact OG-O 2.91Å; S220-P226 PolarHBondContact OG-O 3.22Å; S220-Y228 WeakPolarHBondContact OG-CB 3.19Å; S220-Y228 PolarHBondContact OG-N 3.42Å; S220-E229 PolarHBondContact OG-N 3.49Å |
| 221 | R | 93.6 | Very high | 96.4 | Very high | 8 Ų | 8 | 21 Ų | 21 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -78.1 | -30.3 | -175.9 | -69.3 | 171.2 | -173.6 | -137.6 | 1.9 | 113.2 | A217 A218 L219 E229 L484 Q487 Y489 | A217-R221 WeakPolarHBondContact O-CB 3.09Å; A217-R221 VanDerWaalsContact O-CG 3.25Å; A217-R221 WeakPolarHBondContact O-CG 3.25Å; A217-R221 PolarHBondContact O-N 3.36Å; A218-R221 PolarHBondContact O-N 3.43Å; L219-R221 PolarHBondContact O-N 3.39Å; R221-E229 IonicContact CZ-OE1 2.68Å; R221-E229 IonicContact CZ-OE2 3.91Å; R221-E229 IonicContact NE-OE1 2.71Å; R221-E229 IonicContact NE-OE2 3.5Å; R221-E229 PolarHBondContact NE-OE2 2.84Å; R221-E229 IonicContact NH2-OE1 3.53Å; R221-E229 PolarHBondContact NH2-OE1 3.27Å; R221-E229 IonicContact NH2-OE2 3.6Å; R221-L484 HydrophobicContact CB-CD2 3.92Å; R221-L484 PolarHBondContact NH1-O 3.06Å; R221-Q487 HydrophobicContact CB-CB 4.45Å; R221-Q487 HydrophobicContact CG-CB 4.39Å; R221-Q487 PolarHBondContact O-NE2 2.71Å; R221-Q487 VanDerWaalsContact O-NE2 3.07Å; R221-Q487 PolarHBondContact O-OE1 2.83Å; R221-Y489 HydrophobicContact CG-CD2 4.27Å; R221-Y489 HydrophobicContact CG-CE2 4.47Å |
| 222 | L | 94.2 | Very high | 96.3 | Very high | 56 Ų | 56 | 21.1 Ų | 21.1 | 29% | 0.293 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -78.6 | -32.9 | 174.1 | -70.3 | 166 | 0 | 0 | 0 | 113.1 | L138 L163 A218 L484 | L138-L222 HydrophobicContact CD2-CD1 3.87Å; L163-L222 HydrophobicContact CD1-CB 3.98Å; L163-L222 HydrophobicContact CD1-CD1 4.39Å; L163-L222 HydrophobicContact CD2-CB 4.36Å; A218-L222 VanDerWaalsContact O-CB 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.47Å; A218-L222 WeakPolarHBondContact O-CD1 3.06Å; A218-L222 VanDerWaalsContact O-CG 3.27Å; A218-L222 WeakPolarHBondContact O-CG 3.44Å; A218-L222 PolarHBondContact O-N 2.67Å; L222-L484 HydrophobicContact CD2-CD2 4.24Å; L222-L484 HydrophobicContact CG-CD2 4.17Å |
| 223 | T | 95.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 21 Ų | 21 | 31% | 0.307 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -94.8 | -19.5 | -179.6 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | L163 V167 L219 N225 | L163-T223 HydrophobicContact CD1-CG2 4.11Å; L163-T223 HydrophobicContact CG-CG2 4.33Å; V167-T223 HydrophobicContact CG2-CG2 3.41Å; V167-T223 VanDerWaalsContact CG2-CG2 3.41Å; L219-T223 HydrophobicContact CD1-CG2 3.78Å; L219-T223 HydrophobicContact CG-CG2 4.33Å; L219-T223 VanDerWaalsContact O-CB 3.28Å; L219-T223 WeakPolarHBondContact O-CB 3.48Å; L219-T223 WeakPolarHBondContact O-CG2 3.45Å; L219-T223 PolarHBondContact O-N 2.75Å; L219-T223 PolarHBondContact O-OG1 2.94Å; T223-N225 VanDerWaalsContact C-N 3.28Å; T223-N225 PolarHBondContact O-N 3.26Å; T223-N225 PolarHBondContact OG1-N 3.1Å |
| 224 | G | 92.6 | Very high | 96 | Very high | 33 Ų | 33 | 25.3 Ų | 25.3 | 34% | 0.34 | 14% | 0.137 | S | C | . | . | trans | 78.1 | 2.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S220 P226 Y489 | S220-G224 CarbonylContact O-C 3.18Å; S220-G224 VanDerWaalsContact O-CA 3.22Å; S220-G224 WeakPolarHBondContact O-CA 3.28Å; S220-G224 PolarHBondContact O-N 2.89Å; G224-P226 WeakPolarHBondContact O-CD 3.36Å; G224-Y489 VanDerWaalsContact CA-OH 3.28Å; G224-Y489 WeakPolarHBondContact CA-OH 3.07Å | ||
| 225 | N | 94.7 | Very high | 96 | Very high | 63 Ų | 63 | 25.3 Ų | 25.3 | 34% | 0.337 | 14% | 0.137 | S | C | . | . | trans | -94 | 107.6 | 179.7 | 178.3 | 10.7 | 0 | 0 | 0 | 110.9 | S220 T223 I227 Y228 | S220-N225 VanDerWaalsContact CA-O 3.25Å; S220-N225 WeakPolarHBondContact CA-O 3.33Å; S220-N225 VanDerWaalsContact CB-O 3.23Å; S220-N225 WeakPolarHBondContact CB-O 3.39Å; S220-N225 PolarHBondContact O-N 2.79Å; S220-N225 PolarHBondContact OG-O 2.91Å; T223-N225 VanDerWaalsContact C-N 3.28Å; T223-N225 PolarHBondContact O-N 3.26Å; T223-N225 PolarHBondContact OG1-N 3.1Å; N225-I227 WeakPolarHBondContact ND2-CG2 3.21Å; N225-I227 PolarHBondContact O-N 3.09Å; N225-I227 WeakPolarHBondContact OD1-CG2 3.41Å; N225-I227 PolarHBondContact OD1-N 3.12Å; N225-Y228 HydrophobicContact CB-CE2 4.06Å | ||
| 226 | P | 94.4 | Very high | 95.8 | Very high | 44 Ų | 44 | 25.3 Ų | 25.3 | 29% | 0.286 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10 | -171.1 | 30.5 | -37.2 | 0 | 0 | 0 | 114.9 | S220 G224 Y228 E229 E230 Y489 | S220-P226 PolarHBondContact OG-O 3.22Å; G224-P226 WeakPolarHBondContact O-CD 3.36Å; P226-Y228 VanDerWaalsContact C-N 3.26Å; P226-Y228 PolarHBondContact O-N 3.27Å; P226-E229 PolarHBondContact O-N 3.19Å; P226-E230 HydrophobicContact CB-CG 4.45Å; P226-E230 WeakPolarHBondContact O-CB 3.39Å; P226-E230 WeakPolarHBondContact O-CG 3.46Å; P226-E230 PolarHBondContact O-N 3.41Å; P226-Y489 HydrophobicContact CB-CD1 4.32Å |
| 227 | I | 96.6 | Very high | 95.5 | Very high | 64 Ų | 64 | 25.7 Ų | 25.7 | 33% | 0.328 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.6 | -34.7 | -170.9 | -164.1 | 170.8 | 0 | 0 | 0 | 113.6 | L174 N225 K231 | L174-I227 HydrophobicContact CD1-CD1 4.28Å; L174-I227 HydrophobicContact CD1-CG2 3.9Å; L174-I227 HydrophobicContact CD2-CG1 4.31Å; L174-I227 HydrophobicContact CD2-CG2 4.38Å; N225-I227 WeakPolarHBondContact ND2-CG2 3.21Å; N225-I227 PolarHBondContact O-N 3.09Å; N225-I227 WeakPolarHBondContact OD1-CG2 3.41Å; N225-I227 PolarHBondContact OD1-N 3.12Å; I227-K231 HydrophobicContact CG1-CG 4.27Å; I227-K231 VanDerWaalsContact O-CB 3.32Å; I227-K231 WeakPolarHBondContact O-CB 3.2Å; I227-K231 WeakPolarHBondContact O-CG 3.3Å; I227-K231 PolarHBondContact O-N 2.93Å |
| 228 | Y | 97.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.6 | -54.9 | -179.5 | -45 | -74.6 | 0 | 0 | 0 | 109.8 | N171 L174 F216 L219 S220 N225 P226 E230 K231 A232 | N171-Y228 PolarHBondContact OD1-OH 3.06Å; L174-Y228 HydrophobicContact CD1-CD1 3.9Å; L174-Y228 HydrophobicContact CD1-CE1 3.52Å; L174-Y228 HydrophobicContact CD2-CD1 3.92Å; L174-Y228 HydrophobicContact CD2-CE1 4.4Å; L174-Y228 HydrophobicContact CG-CD1 3.84Å; L174-Y228 HydrophobicContact CG-CE1 3.85Å; F216-Y228 HydrophobicContact CD1-CD1 4.46Å; F216-Y228 WeakPolarHBondContact CD1-O 3.31Å; F216-Y228 HydrophobicContact CE1-CD1 4.45Å; F216-Y228 WeakPolarHBondContact O-CB 3.35Å; L219-Y228 HydrophobicContact CB-CD2 4.27Å; L219-Y228 HydrophobicContact CD2-CD1 3.79Å; L219-Y228 HydrophobicContact CD2-CD2 3.77Å; L219-Y228 HydrophobicContact CD2-CE1 3.76Å; L219-Y228 HydrophobicContact CD2-CE2 3.73Å; L219-Y228 HydrophobicContact CD2-CG 3.82Å; L219-Y228 HydrophobicContact CG-CD2 3.77Å; L219-Y228 HydrophobicContact CG-CE2 3.78Å; L219-Y228 HydrophobicContact CG-CG 4.25Å; S220-Y228 WeakPolarHBondContact OG-CB 3.19Å; S220-Y228 PolarHBondContact OG-N 3.42Å; N225-Y228 HydrophobicContact CB-CE2 4.06Å; P226-Y228 VanDerWaalsContact C-N 3.26Å; P226-Y228 PolarHBondContact O-N 3.27Å; Y228-E230 VanDerWaalsContact C-N 3.31Å; Y228-E230 PolarHBondContact O-N 2.78Å; Y228-K231 PolarHBondContact O-N 2.72Å; Y228-A232 PolarHBondContact O-N 3.12Å |
| 229 | E | 95.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 176.7 | -163.6 | 167.3 | 163.9 | 0 | 0 | 111.9 | I213 A217 S220 R221 P226 A233 I491 | I213-E229 HydrophobicContact CD1-CG 4.23Å; A217-E229 HydrophobicContact CB-CB 4.32Å; A217-E229 HydrophobicContact CB-CG 3.73Å; S220-E229 PolarHBondContact OG-N 3.49Å; R221-E229 IonicContact CZ-OE1 2.68Å; R221-E229 IonicContact CZ-OE2 3.91Å; R221-E229 IonicContact NE-OE1 2.71Å; R221-E229 IonicContact NE-OE2 3.5Å; R221-E229 PolarHBondContact NE-OE2 2.84Å; R221-E229 IonicContact NH2-OE1 3.53Å; R221-E229 PolarHBondContact NH2-OE1 3.27Å; R221-E229 IonicContact NH2-OE2 3.6Å; P226-E229 PolarHBondContact O-N 3.19Å; E229-A233 WeakPolarHBondContact O-CB 3.25Å; E229-A233 PolarHBondContact O-N 3.31Å; E229-I491 HydrophobicContact CG-CD1 3.79Å; E229-I491 WeakPolarHBondContact OE1-CD1 2.86Å |
| 230 | E | 95.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 27.8 Ų | 27.8 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.8 | -75.5 | -176.8 | 178.3 | 0 | 0 | 113 | P226 Y228 K234 I491 V494 | P226-E230 HydrophobicContact CB-CG 4.45Å; P226-E230 WeakPolarHBondContact O-CB 3.39Å; P226-E230 WeakPolarHBondContact O-CG 3.46Å; P226-E230 PolarHBondContact O-N 3.41Å; Y228-E230 VanDerWaalsContact C-N 3.31Å; Y228-E230 PolarHBondContact O-N 2.78Å; E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.37Å; E230-K234 PolarHBondContact O-N 3.39Å; E230-I491 HydrophobicContact CG-CG2 4.28Å; E230-V494 HydrophobicContact CB-CG2 4.32Å; E230-V494 HydrophobicContact CG-CG2 4.25Å |
| 231 | K | 97.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 179 | -74.8 | -74.9 | -143.6 | 166 | 0 | 111.5 | L174 F177 D178 I227 Y228 K234 A235 | L174-K231 HydrophobicContact CD2-CB 4.43Å; L174-K231 HydrophobicContact CD2-CG 3.93Å; F177-K231 HydrophobicContact CB-CB 4.32Å; F177-K231 HydrophobicContact CB-CD 3.72Å; F177-K231 HydrophobicContact CB-CG 4.38Å; F177-K231 HydrophobicContact CD1-CB 4.01Å; F177-K231 HydrophobicContact CE1-CB 4.42Å; F177-K231 HydrophobicContact CG-CB 4.09Å; F177-K231 HydrophobicContact CG-CD 4.42Å; F177-K231 PolarHBondContact O-NZ 2.89Å; D178-K231 IonicContact OD1-NZ 3.19Å; D178-K231 PolarHBondContact OD1-NZ 3.41Å; I227-K231 HydrophobicContact CG1-CG 4.27Å; I227-K231 VanDerWaalsContact O-CB 3.32Å; I227-K231 WeakPolarHBondContact O-CB 3.2Å; I227-K231 WeakPolarHBondContact O-CG 3.3Å; I227-K231 PolarHBondContact O-N 2.93Å; Y228-K231 PolarHBondContact O-N 2.72Å; K231-K234 WeakPolarHBondContact O-CB 3.49Å; K231-K234 PolarHBondContact O-N 2.98Å; K231-A235 PolarHBondContact O-N 2.73Å; K231-A235 VanDerWaalsContact O-N 3.12Å |
| 232 | A | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.1 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M212 I213 F216 Y228 K234 A235 M236 | M212-A232 HydrophobicContact CB-CB 4.1Å; I213-A232 HydrophobicContact CB-CB 4.26Å; I213-A232 HydrophobicContact CD1-CB 3.89Å; F216-A232 HydrophobicContact CB-CB 3.86Å; F216-A232 HydrophobicContact CD1-CB 4.24Å; F216-A232 HydrophobicContact CG-CB 4.29Å; Y228-A232 PolarHBondContact O-N 3.12Å; A232-K234 VanDerWaalsContact C-N 3.31Å; A232-K234 PolarHBondContact O-N 3.04Å; A232-A235 PolarHBondContact O-N 3.47Å; A232-M236 PolarHBondContact O-N 3.26Å |
| 233 | A | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -34.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I213 E229 A237 V494 | I213-A233 HydrophobicContact CD1-CB 4.14Å; E229-A233 WeakPolarHBondContact O-CB 3.25Å; E229-A233 PolarHBondContact O-N 3.31Å; A233-A237 WeakPolarHBondContact O-CB 3.32Å; A233-A237 PolarHBondContact O-N 3.17Å; A233-V494 HydrophobicContact CB-CG1 4.02Å |
| 234 | K | 94.8 | Very high | 94.7 | Very high | 89 Ų | 89 | 31.7 Ų | 31.7 | 39% | 0.387 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.7 | -47 | 172 | -174.4 | -168.1 | 174.5 | -157.5 | 0 | 111.3 | T181 E230 K231 A232 A237 F238 V494 | T181-K234 WeakPolarHBondContact O-CE 3.42Å; T181-K234 PolarHBondContact O-NZ 3.01Å; E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.37Å; E230-K234 PolarHBondContact O-N 3.39Å; K231-K234 WeakPolarHBondContact O-CB 3.49Å; K231-K234 PolarHBondContact O-N 2.98Å; A232-K234 VanDerWaalsContact C-N 3.31Å; A232-K234 PolarHBondContact O-N 3.04Å; K234-A237 PolarHBondContact O-N 3.14Å; K234-F238 PolarHBondContact O-N 3.24Å; K234-V494 HydrophobicContact CB-CG1 4.36Å |
| 235 | A | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -50 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F177 K231 A232 A237 F238 L239 | F177-A235 HydrophobicContact CE1-CB 4.23Å; K231-A235 PolarHBondContact O-N 2.73Å; K231-A235 VanDerWaalsContact O-N 3.12Å; A232-A235 PolarHBondContact O-N 3.47Å; A235-A237 VanDerWaalsContact C-N 3.33Å; A235-A237 PolarHBondContact O-N 2.84Å; A235-F238 WeakPolarHBondContact O-CB 3.46Å; A235-F238 PolarHBondContact O-N 3.01Å; A235-L239 PolarHBondContact O-N 3.01Å |
| 236 | M | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.4 | -40.2 | 174.7 | -84.3 | -67.9 | -130.6 | 0 | 0 | 113.4 | G210 I213 A232 F238 W240 Y275 L279 | G210-M236 WeakPolarHBondContact O-CE 3.43Å; I213-M236 HydrophobicContact CB-CG 4.3Å; I213-M236 HydrophobicContact CG2-CE 3.7Å; I213-M236 HydrophobicContact CG2-CG 4.29Å; A232-M236 PolarHBondContact O-N 3.26Å; M236-F238 VanDerWaalsContact C-N 3.34Å; M236-W240 PolarHBondContact O-N 3.49Å; M236-Y275 HydrophobicContact CE-CD2 4.15Å; M236-Y275 HydrophobicContact CE-CE2 4.37Å; M236-Y275 HydrophobicContact SD-CD2 3.56Å; M236-Y275 VanDerWaalsContact SD-CD2 3.56Å; M236-Y275 HydrophobicContact SD-CE2 3.46Å; M236-Y275 WeakPolarHBondContact SD-CE2 3.18Å; M236-L279 HydrophobicContact CE-CD2 3.79Å; M236-L279 HydrophobicContact CE-CG 4.08Å; M236-L279 HydrophobicContact SD-CD2 4.21Å |
| 237 | A | 92.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.2 | -25 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A233 K234 A235 K241 | A233-A237 WeakPolarHBondContact O-CB 3.32Å; A233-A237 PolarHBondContact O-N 3.17Å; K234-A237 PolarHBondContact O-N 3.14Å; A235-A237 VanDerWaalsContact C-N 3.33Å; A235-A237 PolarHBondContact O-N 2.84Å; A237-K241 WeakPolarHBondContact O-CD 3.37Å; A237-K241 WeakPolarHBondContact O-CG 3.29Å |
| 238 | F | 94.5 | Very high | 93.4 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.1 | -49.5 | 173 | -166.5 | -80.1 | 0 | 0 | 0 | 111 | T181 I183 K234 A235 M236 W240 K241 Q242 I254 | T181-F238 HydrophobicContact CG2-CE1 3.79Å; T181-F238 HydrophobicContact CG2-CE2 3.76Å; T181-F238 HydrophobicContact CG2-CZ 3.33Å; I183-F238 HydrophobicContact CD1-CD1 3.56Å; I183-F238 HydrophobicContact CD1-CE1 3.76Å; I183-F238 HydrophobicContact CD1-CG 4.49Å; I183-F238 HydrophobicContact CG1-CD1 3.86Å; I183-F238 HydrophobicContact CG1-CE1 4.42Å; I183-F238 HydrophobicContact CG1-CG 4.35Å; K234-F238 PolarHBondContact O-N 3.24Å; A235-F238 WeakPolarHBondContact O-CB 3.46Å; A235-F238 PolarHBondContact O-N 3.01Å; M236-F238 VanDerWaalsContact C-N 3.34Å; F238-W240 VanDerWaalsContact C-N 3.27Å; F238-W240 PolarHBondContact O-N 3.46Å; F238-K241 WeakPolarHBondContact O-CA 3.31Å; F238-K241 WeakPolarHBondContact O-CB 3.48Å; F238-K241 PolarHBondContact O-N 3.49Å; F238-Q242 HydrophobicContact CD1-CG 3.66Å; F238-Q242 HydrophobicContact CE1-CG 3.34Å; F238-Q242 HydrophobicContact CZ-CG 4.13Å; F238-Q242 PolarHBondContact O-N 2.96Å; F238-Q242 VanDerWaalsContact O-N 3.11Å; F238-I254 HydrophobicContact CE1-CD1 4.4Å |
| 239 | L | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -52.8 | -44.3 | 175.7 | -68.9 | 173.3 | 0 | 0 | 0 | 112 | T206 A209 A235 K241 Q242 R243 I254 W261 Y275 | T206-L239 HydrophobicContact CG2-CD1 4.4Å; T206-L239 HydrophobicContact CG2-CD2 4.42Å; A209-L239 HydrophobicContact CB-CD1 3.94Å; A209-L239 HydrophobicContact CB-CD2 4.29Å; A209-L239 HydrophobicContact CB-CG 4.47Å; A235-L239 PolarHBondContact O-N 3.01Å; L239-K241 VanDerWaalsContact C-N 3.28Å; L239-K241 PolarHBondContact O-N 2.98Å; L239-Q242 PolarHBondContact O-N 2.94Å; L239-R243 PolarHBondContact O-N 3.1Å; L239-I254 HydrophobicContact CD2-CD1 4.32Å; L239-I254 HydrophobicContact CD2-CG2 4.3Å; L239-W261 HydrophobicContact CD2-CH2 4.21Å; L239-Y275 HydrophobicContact CB-CE2 3.99Å; L239-Y275 HydrophobicContact CD1-CD2 3.89Å; L239-Y275 HydrophobicContact CD1-CE2 3.87Å |
| 240 | W | 93.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.7 | -34.3 | 175.4 | 173 | -110.9 | 0 | 0 | 0 | 114.4 | M236 F238 R243 R294 T297 H298 | M236-W240 PolarHBondContact O-N 3.49Å; F238-W240 VanDerWaalsContact C-N 3.27Å; F238-W240 PolarHBondContact O-N 3.46Å; W240-R243 VanDerWaalsContact CE2-NH1 3.27Å; W240-R243 WeakPolarHBondContact O-CD 3.24Å; W240-R243 WeakPolarHBondContact O-CG 3.28Å; W240-R243 PolarHBondContact O-NH1 2.9Å; W240-R294 HydrophobicContact CD2-CB 4.41Å; W240-R294 HydrophobicContact CD2-CG 3.52Å; W240-R294 HydrophobicContact CE3-CB 3.87Å; W240-R294 HydrophobicContact CE3-CG 3.49Å; W240-R294 VanDerWaalsContact CE3-CG 3.49Å; W240-R294 HydrophobicContact CG-CG 4.09Å; W240-R294 VanDerWaalsContact CG-NE 3.26Å; W240-R294 HydrophobicContact CH2-CB 4.31Å; W240-R294 HydrophobicContact CH2-CG 3.96Å; W240-R294 HydrophobicContact CZ2-CG 4.01Å; W240-R294 HydrophobicContact CZ3-CB 3.83Å; W240-R294 HydrophobicContact CZ3-CG 3.72Å; W240-T297 HydrophobicContact CH2-CG2 3.86Å; W240-T297 HydrophobicContact CZ3-CG2 4.22Å; W240-H298 AromaticContact CE3-NE2 3.31Å; W240-H298 VanDerWaalsContact CE3-NE2 3.31Å; W240-H298 AromaticContact CZ3-NE2 3.79Å |
| 241 | K | 91.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 36% | 0.361 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -77.9 | -28.4 | 178.8 | -74.3 | 170.4 | 176.5 | 176.9 | 0 | 112.5 | A237 F238 L239 T497 | A237-K241 WeakPolarHBondContact O-CD 3.37Å; A237-K241 WeakPolarHBondContact O-CG 3.29Å; F238-K241 WeakPolarHBondContact O-CA 3.31Å; F238-K241 WeakPolarHBondContact O-CB 3.48Å; F238-K241 PolarHBondContact O-N 3.49Å; L239-K241 VanDerWaalsContact C-N 3.28Å; L239-K241 PolarHBondContact O-N 2.98Å; K241-T497 PolarHBondContact NZ-OG1 2.99Å |
| 242 | Q | 92.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -84 | -14.4 | -179.6 | -61.8 | -56 | 94.4 | 0 | 0 | 114.3 | F238 L239 I254 G259 W261 | F238-Q242 HydrophobicContact CD1-CG 3.66Å; F238-Q242 HydrophobicContact CE1-CG 3.34Å; F238-Q242 HydrophobicContact CZ-CG 4.13Å; F238-Q242 PolarHBondContact O-N 2.96Å; F238-Q242 VanDerWaalsContact O-N 3.11Å; L239-Q242 PolarHBondContact O-N 2.94Å; Q242-I254 HydrophobicContact CB-CD1 4.24Å; Q242-I254 HydrophobicContact CG-CD1 4.06Å; Q242-G259 PolarHBondContact NE2-O 3.42Å; Q242-W261 HydrophobicContact CB-CZ2 3.9Å; Q242-W261 PolarHBondContact O-NE1 2.97Å |
| 243 | R | 93.4 | Very high | 93.2 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 17% | 0.17 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -54.5 | 151.1 | 177.6 | 84.5 | -171.4 | -167 | -77 | -4.1 | 112.1 | L239 W240 R245 D248 L249 V250 H298 | L239-R243 PolarHBondContact O-N 3.1Å; W240-R243 VanDerWaalsContact CE2-NH1 3.27Å; W240-R243 WeakPolarHBondContact O-CD 3.24Å; W240-R243 WeakPolarHBondContact O-CG 3.28Å; W240-R243 PolarHBondContact O-NH1 2.9Å; R243-R245 PolarHBondContact O-N 3.46Å; R243-D248 IonicContact CZ-OD1 3.95Å; R243-D248 IonicContact NE-OD1 3.02Å; R243-D248 PolarHBondContact NE-OD1 3.23Å; R243-D248 IonicContact NH2-OD1 3.83Å; R243-D248 PolarHBondContact NH2-OD1 3.29Å; R243-L249 WeakPolarHBondContact CA-O 2.89Å; R243-V250 HydrophobicContact CB-CG1 3.67Å; R243-H298 WeakPolarHBondContact CB-CE1 3.48Å; R243-H298 WeakPolarHBondContact CD-CE1 3.35Å |
| 244 | N | 92.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 16% | 0.155 | 13% | 0.131 | C | C | . | . | trans | -68.1 | 121.1 | 177.1 | -174.9 | -74.2 | 0 | 0 | 0 | 111.2 | F246 S247 D248 L249 M323 H324 | N244-F246 VanDerWaalsContact C-N 3.27Å; N244-F246 PolarHBondContact O-N 2.92Å; N244-F246 WeakPolarHBondContact OD1-CB 3.28Å; N244-F246 PolarHBondContact OD1-N 2.92Å; N244-S247 WeakPolarHBondContact CB-OG 3.22Å; N244-S247 PolarHBondContact OD1-N 2.83Å; N244-S247 PolarHBondContact OD1-OG 2.83Å; N244-D248 WeakPolarHBondContact O-CA 3.34Å; N244-D248 PolarHBondContact O-N 3.3Å; N244-L249 PolarHBondContact N-O 3.01Å; N244-M323 HydrophobicContact CB-CG 4.25Å; N244-M323 HydrophobicContact CB-SD 3.89Å; N244-H324 VanDerWaalsContact ND2-CB 3.34Å; N244-H324 WeakPolarHBondContact ND2-CB 3.1Å | ||
| 245 | R | 82 | Confident | 93.3 | Very high | 84 Ų | 84 | 26.3 Ų | 26.3 | 32% | 0.317 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.8 | -176.4 | -65.3 | -170.6 | -174.3 | 139.8 | 3.3 | 116.3 | R243 D538 H540 D542 | R243-R245 PolarHBondContact O-N 3.46Å; R245-D538 IonicContact CZ-OD1 2.72Å; R245-D538 IonicContact NH2-OD1 3.89Å; R245-D538 PolarHBondContact NH2-OD1 3.11Å; R245-H540 PolarHBondContact NH1-O 2.93Å; R245-D542 IonicContact CZ-OD2 2.75Å; R245-D542 VanDerWaalsContact NH1-CB 3.33Å; R245-D542 VanDerWaalsContact NH1-CG 3.3Å; R245-D542 IonicContact NH1-OD2 3.31Å; R245-D542 PolarHBondContact NH1-OD2 2.9Å |
| 246 | F | 86 | Confident | 93.3 | Very high | 152 Ų | 152 | 26.3 Ų | 26.3 | 67% | 0.667 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -37.7 | 179.8 | 175.3 | -94.2 | 0 | 0 | 0 | 112.1 | N244 | N244-F246 VanDerWaalsContact C-N 3.27Å; N244-F246 PolarHBondContact O-N 2.92Å; N244-F246 WeakPolarHBondContact OD1-CB 3.28Å; N244-F246 PolarHBondContact OD1-N 2.92Å |
| 247 | S | 89.9 | Confident | 93.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -11.2 | 178.9 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | N244 L249 A301 Y305 M323 | N244-S247 WeakPolarHBondContact CB-OG 3.22Å; N244-S247 PolarHBondContact OD1-N 2.83Å; N244-S247 PolarHBondContact OD1-OG 2.83Å; S247-L249 PolarHBondContact O-N 3.09Å; S247-L249 VanDerWaalsContact O-N 3.15Å; S247-L249 PolarHBondContact OG-N 3.48Å; S247-A301 WeakPolarHBondContact O-CB 3.38Å; S247-Y305 WeakPolarHBondContact O-CE2 3.44Å; S247-M323 WeakPolarHBondContact CB-O 3.16Å; S247-M323 PolarHBondContact OG-O 3.04Å |
| 248 | D | 93.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.193 | 15% | 0.15 | C | C | . | . | trans | 57.7 | 6.4 | -165.7 | -78.8 | -63.1 | 0 | 0 | 0 | 115.3 | R243 N244 T297 H298 A301 | R243-D248 IonicContact CZ-OD1 3.95Å; R243-D248 IonicContact NE-OD1 3.02Å; R243-D248 PolarHBondContact NE-OD1 3.23Å; R243-D248 IonicContact NH2-OD1 3.83Å; R243-D248 PolarHBondContact NH2-OD1 3.29Å; N244-D248 WeakPolarHBondContact O-CA 3.34Å; N244-D248 PolarHBondContact O-N 3.3Å; D248-T297 HydrophobicContact CB-CG2 3.68Å; D248-T297 WeakPolarHBondContact OD1-CG2 3.47Å; D248-H298 PolarHBondContact O-CE1 3.25Å; D248-H298 PolarHBondContact O-ND1 3.22Å; D248-A301 HydrophobicContact CB-CB 4.06Å | ||
| 249 | L | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -82 | 146.1 | -176.7 | -65.1 | 175.3 | 0 | 0 | 0 | 114.1 | R243 N244 S247 A301 V302 Y305 V306 V321 M323 P326 | R243-L249 WeakPolarHBondContact CA-O 2.89Å; N244-L249 PolarHBondContact N-O 3.01Å; S247-L249 PolarHBondContact O-N 3.09Å; S247-L249 VanDerWaalsContact O-N 3.15Å; S247-L249 PolarHBondContact OG-N 3.48Å; L249-A301 HydrophobicContact CD2-CB 3.8Å; L249-A301 HydrophobicContact CG-CB 4.25Å; L249-V302 HydrophobicContact CD2-CG2 4.05Å; L249-Y305 HydrophobicContact CD1-CD2 4.23Å; L249-V306 HydrophobicContact CD2-CG2 4.43Å; L249-V321 HydrophobicContact CD1-CG2 3.37Å; L249-M323 HydrophobicContact CB-CB 4.25Å; L249-P326 HydrophobicContact CD1-CB 4.4Å | ||
| 250 | V | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -94.4 | 160 | 168.4 | -73.5 | 0 | 0 | 0 | 0 | 111.6 | T206 R243 W261 S266 I272 Y275 Y276 H298 | T206-V250 HydrophobicContact CG2-CB 4.25Å; T206-V250 HydrophobicContact CG2-CG2 3.97Å; R243-V250 HydrophobicContact CB-CG1 3.67Å; V250-W261 HydrophobicContact CB-CH2 3.83Å; V250-W261 HydrophobicContact CB-CZ2 3.96Å; V250-W261 HydrophobicContact CG1-CH2 4.19Å; V250-W261 HydrophobicContact CG1-CZ2 4.06Å; V250-S266 WeakPolarHBondContact O-CB 3.38Å; V250-S266 PolarHBondContact O-OG 3.35Å; V250-I272 HydrophobicContact CG2-CG2 3.97Å; V250-Y275 HydrophobicContact CG1-CE1 4.02Å; V250-Y275 HydrophobicContact CG2-CD1 4.01Å; V250-Y275 HydrophobicContact CG2-CE1 3.84Å; V250-Y276 HydrophobicContact CG2-CE1 4.02Å; V250-H298 WeakPolarHBondContact CG1-CE1 3.16Å | ||
| 251 | G | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -84.3 | -173.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T206 W261 E265 I272 M323 | T206-G251 WeakPolarHBondContact CB-O 3.24Å; T206-G251 PolarHBondContact OG1-O 3.43Å; G251-W261 VanDerWaalsContact CA-CE3 3.49Å; G251-E265 CarbonylContact C-O 3.6Å; G251-E265 WeakPolarHBondContact CA-O 3.34Å; G251-I272 VanDerWaalsContact O-CD1 3.29Å; G251-I272 WeakPolarHBondContact O-CD1 3.34Å; G251-I272 WeakPolarHBondContact O-CG1 3.47Å; G251-M323 VanDerWaalsContact N-CE 3.28Å | ||
| 252 | R | 95.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -95.1 | -37.9 | 176.6 | 179.6 | 174.1 | -89 | 121.4 | 5.3 | 113.1 | C205 T206 R263 E265 A270 I272 D320 | C205-R252 WeakPolarHBondContact CA-O 3.05Å; C205-R252 WeakPolarHBondContact CB-O 3.49Å; T206-R252 PolarHBondContact N-O 3.47Å; T206-R252 VanDerWaalsContact N-O 3.14Å; R252-R263 HydrophobicContact CB-CB 4.19Å; R252-R263 PolarHBondContact N-O 2.94Å; R252-E265 IonicContact CZ-OE2 3.48Å; R252-E265 PolarHBondContact N-O 2.74Å; R252-E265 IonicContact NH1-OE2 3.89Å; R252-E265 PolarHBondContact NH1-OE2 2.92Å; R252-A270 PolarHBondContact NE-O 3.32Å; R252-A270 PolarHBondContact NH2-O 3.07Å; R252-I272 HydrophobicContact CB-CD1 4.06Å; R252-I272 HydrophobicContact CB-CG1 4.21Å; R252-D320 IonicContact CZ-OD2 3.73Å; R252-D320 IonicContact NH1-OD2 2.75Å; R252-D320 PolarHBondContact NH1-OD2 3.12Å; R252-D320 IonicContact NH2-OD1 3.34Å; R252-D320 IonicContact NH2-OD2 3.86Å; R252-D320 PolarHBondContact NH2-OD2 2.86Å |
| 253 | V | 96.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 131.8 | -179.1 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | N203 T204 W261 I262 R263 | N203-V253 HydrophobicContact CB-CG1 3.81Å; T204-V253 WeakPolarHBondContact O-CA 3.17Å; T204-V253 WeakPolarHBondContact O-CG1 3.46Å; V253-W261 CarbonylContact O-C 3.58Å; V253-I262 HydrophobicContact CG1-CB 4.2Å; V253-I262 PolarHBondContact O-N 3.26Å; V253-R263 HydrophobicContact CB-CB 3.85Å; V253-R263 HydrophobicContact CB-CG 4.1Å; V253-R263 HydrophobicContact CG2-CB 4.02Å; V253-R263 HydrophobicContact CG2-CG 4.09Å; V253-R263 PolarHBondContact N-O 3.17Å; V253-R263 PolarHBondContact O-N 3.5Å; V253-R263 VanDerWaalsContact O-N 3.14Å |
| 254 | I | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.2 | -177.9 | -173.3 | 159.6 | 0 | 0 | 0 | 110.6 | I183 N203 T204 F238 L239 Q242 G259 D260 W261 | I183-I254 HydrophobicContact CD1-CD1 3.59Å; I183-I254 HydrophobicContact CD1-CG1 3.89Å; I183-I254 HydrophobicContact CD1-CG2 4.01Å; N203-I254 WeakPolarHBondContact CA-O 3.44Å; T204-I254 HydrophobicContact CG2-CG2 3.91Å; T204-I254 PolarHBondContact N-O 2.78Å; T204-I254 PolarHBondContact O-N 2.63Å; F238-I254 HydrophobicContact CE1-CD1 4.4Å; L239-I254 HydrophobicContact CD2-CD1 4.32Å; L239-I254 HydrophobicContact CD2-CG2 4.3Å; Q242-I254 HydrophobicContact CB-CD1 4.24Å; Q242-I254 HydrophobicContact CG-CD1 4.06Å; I254-G259 WeakPolarHBondContact CD1-O 3.28Å; I254-D260 WeakPolarHBondContact CA-O 3.45Å; I254-W261 HydrophobicContact CB-CE3 3.76Å; I254-W261 HydrophobicContact CB-CH2 4.46Å; I254-W261 HydrophobicContact CB-CZ3 3.72Å; I254-W261 HydrophobicContact CD1-CD2 4.41Å; I254-W261 HydrophobicContact CD1-CE3 4.32Å; I254-W261 HydrophobicContact CD1-CH2 4.14Å; I254-W261 HydrophobicContact CD1-CZ2 4.24Å; I254-W261 HydrophobicContact CD1-CZ3 4.18Å; I254-W261 HydrophobicContact CG1-CE3 4.34Å; I254-W261 HydrophobicContact CG1-CZ3 4.44Å; I254-W261 HydrophobicContact CG2-CZ3 4.31Å |
| 255 | N | 96.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.1 | 172.2 | 178.1 | -77.4 | 0 | 0 | 0 | 110.8 | E202 N203 R257 N258 G259 D260 I262 | E202-N255 WeakPolarHBondContact CB-ND2 3.49Å; E202-N255 CarbonylContact O-C 2.85Å; E202-N255 VanDerWaalsContact O-CA 3.32Å; E202-N255 WeakPolarHBondContact O-CA 3.34Å; E202-N255 PolarHBondContact O-ND2 2.97Å; N203-N255 WeakPolarHBondContact OD1-CB 3.46Å; N203-N255 PolarHBondContact OD1-ND2 2.9Å; N255-R257 PolarHBondContact O-N 2.83Å; N255-R257 WeakPolarHBondContact OD1-CB 3.29Å; N255-R257 PolarHBondContact OD1-N 3.14Å; N255-N258 VanDerWaalsContact CB-OD1 3.32Å; N255-N258 WeakPolarHBondContact CB-OD1 3.02Å; N255-N258 PolarHBondContact OD1-N 2.81Å; N255-N258 PolarHBondContact OD1-OD1 3.35Å; N255-N258 VanDerWaalsContact OD1-OD1 3.07Å; N255-G259 WeakPolarHBondContact O-CA 3.42Å; N255-G259 PolarHBondContact O-N 3.06Å; N255-D260 PolarHBondContact N-O 2.9Å; N255-I262 HydrophobicContact CB-CD1 4.12Å; N255-I262 HydrophobicContact CB-CG1 4.1Å |
| 256 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14.7 | -171.3 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | T179 T181 I183 Y185 E202 T204 | T179-V256 HydrophobicContact CG2-CB 3.97Å; T179-V256 HydrophobicContact CG2-CG2 3.66Å; T181-V256 WeakPolarHBondContact CG2-O 3.43Å; T181-V256 PolarHBondContact OG1-O 3.21Å; I183-V256 HydrophobicContact CB-CB 4.29Å; I183-V256 HydrophobicContact CB-CG1 4.28Å; I183-V256 HydrophobicContact CG2-CB 4.24Å; I183-V256 HydrophobicContact CG2-CG1 3.68Å; Y185-V256 HydrophobicContact CD1-CG2 3.54Å; Y185-V256 HydrophobicContact CE1-CG2 3.51Å; Y185-V256 HydrophobicContact CG-CG2 4.33Å; E202-V256 WeakPolarHBondContact O-CG2 3.43Å; E202-V256 PolarHBondContact O-N 2.85Å; T204-V256 HydrophobicContact CG2-CG1 3.66Å |
| 257 | R | 92.3 | Very high | 94 | Very high | 92 Ų | 92 | 26 Ų | 26 | 35% | 0.347 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -48.9 | 177 | -67.2 | -156.9 | -166.7 | -62.4 | -13.4 | 112.6 | Y185 Y194 E202 N255 | Y185-R257 PolarHBondContact OH-NH1 2.95Å; Y194-R257 PolarHBondContact OH-NH2 2.92Å; Y194-R257 VanDerWaalsContact OH-NH2 3.11Å; E202-R257 IonicContact OE1-CZ 3.77Å; E202-R257 IonicContact OE1-NE 2.75Å; E202-R257 PolarHBondContact OE1-NE 3.3Å; E202-R257 IonicContact OE1-NH2 2.72Å; E202-R257 PolarHBondContact OE1-NH2 3.35Å; E202-R257 WeakPolarHBondContact OE2-CD 3.42Å; E202-R257 WeakPolarHBondContact OE2-CG 3.47Å; E202-R257 IonicContact OE2-CZ 3.43Å; E202-R257 IonicContact OE2-NE 3.18Å; E202-R257 PolarHBondContact OE2-NE 3.33Å; N255-R257 PolarHBondContact O-N 2.83Å; N255-R257 WeakPolarHBondContact OD1-CB 3.29Å; N255-R257 PolarHBondContact OD1-N 3.14Å |
| 258 | N | 92.6 | Very high | 94.2 | Very high | 78 Ų | 78 | 26 Ų | 26 | 42% | 0.417 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -22.4 | -176 | 64.4 | 3.7 | 0 | 0 | 0 | 113.9 | N255 D260 | N255-N258 VanDerWaalsContact CB-OD1 3.32Å; N255-N258 WeakPolarHBondContact CB-OD1 3.02Å; N255-N258 PolarHBondContact OD1-N 2.81Å; N255-N258 PolarHBondContact OD1-OD1 3.35Å; N255-N258 VanDerWaalsContact OD1-OD1 3.07Å; N258-D260 PolarHBondContact ND2-OD2 2.66Å; N258-D260 PolarHBondContact OD1-N 2.77Å |
| 259 | G | 91.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 86.1 | 11 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q242 I254 N255 | Q242-G259 PolarHBondContact NE2-O 3.42Å; I254-G259 WeakPolarHBondContact CD1-O 3.28Å; N255-G259 WeakPolarHBondContact O-CA 3.42Å; N255-G259 PolarHBondContact O-N 3.06Å | ||
| 260 | D | 93.7 | Very high | 94.1 | Very high | 76 Ų | 76 | 25.5 Ų | 25.5 | 41% | 0.406 | 12% | 0.123 | S | C | . | . | trans | -76.3 | 141.2 | -179.4 | -79.2 | -39.3 | 0 | 0 | 0 | 112.4 | I254 N255 N258 I262 | I254-D260 WeakPolarHBondContact CA-O 3.45Å; N255-D260 PolarHBondContact N-O 2.9Å; N258-D260 PolarHBondContact ND2-OD2 2.66Å; N258-D260 PolarHBondContact OD1-N 2.77Å; D260-I262 PolarHBondContact O-N 2.96Å | ||
| 261 | W | 94.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 104 | 175.6 | -66.2 | 113.4 | 0 | 0 | 0 | 111.4 | T206 L239 Q242 V250 G251 V253 I254 Q264 M323 | T206-W261 VanDerWaalsContact OG1-CZ3 3.25Å; T206-W261 WeakPolarHBondContact OG1-CZ3 3.35Å; L239-W261 HydrophobicContact CD2-CH2 4.21Å; Q242-W261 HydrophobicContact CB-CZ2 3.9Å; Q242-W261 PolarHBondContact O-NE1 2.97Å; V250-W261 HydrophobicContact CB-CH2 3.83Å; V250-W261 HydrophobicContact CB-CZ2 3.96Å; V250-W261 HydrophobicContact CG1-CH2 4.19Å; V250-W261 HydrophobicContact CG1-CZ2 4.06Å; G251-W261 VanDerWaalsContact CA-CE3 3.49Å; V253-W261 CarbonylContact O-C 3.58Å; I254-W261 HydrophobicContact CB-CE3 3.76Å; I254-W261 HydrophobicContact CB-CH2 4.46Å; I254-W261 HydrophobicContact CB-CZ3 3.72Å; I254-W261 HydrophobicContact CD1-CD2 4.41Å; I254-W261 HydrophobicContact CD1-CE3 4.32Å; I254-W261 HydrophobicContact CD1-CH2 4.14Å; I254-W261 HydrophobicContact CD1-CZ2 4.24Å; I254-W261 HydrophobicContact CD1-CZ3 4.18Å; I254-W261 HydrophobicContact CG1-CE3 4.34Å; I254-W261 HydrophobicContact CG1-CZ3 4.44Å; I254-W261 HydrophobicContact CG2-CZ3 4.31Å; W261-Q264 HydrophobicContact CB-CG 3.73Å; W261-Q264 WeakPolarHBondContact O-CG 3.35Å; W261-Q264 PolarHBondContact O-NE2 2.94Å; W261-Q264 VanDerWaalsContact O-NE2 3.11Å; W261-M323 HydrophobicContact CB-CE 3.83Å; W261-M323 HydrophobicContact CD2-CE 3.71Å; W261-M323 HydrophobicContact CE3-CE 4.35Å; W261-M323 HydrophobicContact CG-CE 3.44Å; W261-M323 VanDerWaalsContact CG-CE 3.44Å |
| 262 | I | 93.9 | Very high | 94 | Very high | 78 Ų | 78 | 26.2 Ų | 26.2 | 40% | 0.4 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -47.9 | 175.3 | -53.5 | -56.8 | 0 | 0 | 0 | 110.7 | V253 N255 D260 | V253-I262 HydrophobicContact CG1-CB 4.2Å; V253-I262 PolarHBondContact O-N 3.26Å; N255-I262 HydrophobicContact CB-CD1 4.12Å; N255-I262 HydrophobicContact CB-CG1 4.1Å; D260-I262 PolarHBondContact O-N 2.96Å |
| 263 | R | 92.5 | Very high | 94.1 | Very high | 70 Ų | 70 | 26.8 Ų | 26.8 | 26% | 0.264 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 107 | 171.2 | -67.3 | -179.1 | 66.6 | 162.7 | 6.5 | 109.8 | R252 V253 E265 S1280 | R252-R263 HydrophobicContact CB-CB 4.19Å; R252-R263 PolarHBondContact N-O 2.94Å; V253-R263 HydrophobicContact CB-CB 3.85Å; V253-R263 HydrophobicContact CB-CG 4.1Å; V253-R263 HydrophobicContact CG2-CB 4.02Å; V253-R263 HydrophobicContact CG2-CG 4.09Å; V253-R263 PolarHBondContact N-O 3.17Å; V253-R263 PolarHBondContact O-N 3.5Å; V253-R263 VanDerWaalsContact O-N 3.14Å; R263-E265 VanDerWaalsContact C-N 3.26Å; R263-E265 IonicContact CZ-OE2 2.67Å; R263-E265 IonicContact NE-OE2 3.85Å; R263-E265 PolarHBondContact NE-OE2 3.45Å; R263-E265 IonicContact NH2-OE1 3.74Å; R263-E265 IonicContact NH2-OE2 3.9Å; R263-E265 PolarHBondContact NH2-OE2 2.74Å; R263-E265 PolarHBondContact O-N 2.76Å; R263-S1280 PolarHBondContact NH1-OG 2.73Å |
| 264 | Q | 93.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 17% | 0.168 | 13% | 0.132 | C | C | . | . | trans | -90.5 | 12 | -175.3 | -61.7 | 163.2 | -5.6 | 0 | 0 | 113.2 | W261 M323 H324 T670 | W261-Q264 HydrophobicContact CB-CG 3.73Å; W261-Q264 WeakPolarHBondContact O-CG 3.35Å; W261-Q264 PolarHBondContact O-NE2 2.94Å; W261-Q264 VanDerWaalsContact O-NE2 3.11Å; Q264-M323 HydrophobicContact CB-CE 3.95Å; Q264-M323 HydrophobicContact CB-CG 4.39Å; Q264-M323 HydrophobicContact CG-CE 4.11Å; Q264-M323 WeakPolarHBondContact O-CB 3.48Å; Q264-M323 PolarHBondContact O-N 3.29Å; Q264-H324 PolarHBondContact OE1-CE1 3.22Å; Q264-T670 PolarHBondContact NE2-OG1 3.33Å; Q264-T670 VanDerWaalsContact OE1-CG2 3.28Å; Q264-T670 PolarHBondContact OE1-OG1 3.3Å | ||
| 265 | E | 92.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 9% | 0.093 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 138 | 168 | -53.6 | 177.1 | 154 | 0 | 0 | 108.9 | G251 R252 R263 A330 H667 | G251-E265 CarbonylContact C-O 3.6Å; G251-E265 WeakPolarHBondContact CA-O 3.34Å; R252-E265 IonicContact CZ-OE2 3.48Å; R252-E265 PolarHBondContact N-O 2.74Å; R252-E265 IonicContact NH1-OE2 3.89Å; R252-E265 PolarHBondContact NH1-OE2 2.92Å; R263-E265 VanDerWaalsContact C-N 3.26Å; R263-E265 IonicContact CZ-OE2 2.67Å; R263-E265 IonicContact NE-OE2 3.85Å; R263-E265 PolarHBondContact NE-OE2 3.45Å; R263-E265 IonicContact NH2-OE1 3.74Å; R263-E265 IonicContact NH2-OE2 3.9Å; R263-E265 PolarHBondContact NH2-OE2 2.74Å; R263-E265 PolarHBondContact O-N 2.76Å; E265-A330 HydrophobicContact CB-CB 3.7Å; E265-A330 HydrophobicContact CG-CB 3.86Å; E265-H667 IonicContact OE1-ND1 3.8Å |
| 266 | S | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.8 | -179.9 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | V250 D320 V321 | V250-S266 WeakPolarHBondContact O-CB 3.38Å; V250-S266 PolarHBondContact O-OG 3.35Å; S266-D320 CarbonylContact O-C 3.51Å; S266-D320 WeakPolarHBondContact O-CA 3.34Å; S266-D320 VanDerWaalsContact O-CB 3.32Å; S266-D320 WeakPolarHBondContact O-CB 3.48Å; S266-V321 PolarHBondContact N-O 3.36Å; S266-V321 PolarHBondContact O-N 3.16Å |
| 267 | G | 93 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -162.1 | -166.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y276 D320 | G267-Y276 WeakPolarHBondContact O-CE2 3.17Å; G267-D320 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 268 | V | 94.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -104.8 | -8.8 | 177.8 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | D273 Y276 V302 F318 L338 F340 W341 | V268-D273 VanDerWaalsContact O-CA 3.3Å; V268-D273 WeakPolarHBondContact O-CA 3.49Å; V268-Y276 HydrophobicContact CG1-CE2 4.39Å; V268-V302 HydrophobicContact CG1-CG1 3.46Å; V268-V302 VanDerWaalsContact CG1-CG1 3.46Å; V268-V302 HydrophobicContact CG1-CG2 4.23Å; V268-F318 HydrophobicContact CG1-CD1 4.49Å; V268-F318 HydrophobicContact CG2-CB 3.78Å; V268-F318 HydrophobicContact CG2-CD1 4.31Å; V268-F318 HydrophobicContact CG2-CG 4.28Å; V268-L338 HydrophobicContact CG2-CB 4.05Å; V268-F340 VanDerWaalsContact O-CE1 3.24Å; V268-F340 WeakPolarHBondContact O-CE1 3.28Å; V268-W341 HydrophobicContact CB-CD2 4.1Å; V268-W341 HydrophobicContact CB-CE3 4.1Å; V268-W341 HydrophobicContact CB-CG 4.45Å; V268-W341 HydrophobicContact CB-CZ3 4.5Å; V268-W341 HydrophobicContact CG1-CD2 3.78Å; V268-W341 HydrophobicContact CG1-CE3 3.87Å; V268-W341 HydrophobicContact CG1-CG 4.45Å; V268-W341 HydrophobicContact CG1-CH2 3.89Å; V268-W341 HydrophobicContact CG1-CZ2 3.8Å; V268-W341 HydrophobicContact CG1-CZ3 3.92Å |
| 269 | G | 93.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -90.4 | -159.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G271 I272 D273 D335 | G269-G271 PolarHBondContact O-N 3.3Å; G269-I272 PolarHBondContact O-N 3.15Å; G269-D273 PolarHBondContact O-N 3.08Å; G269-D335 WeakPolarHBondContact CA-OD1 3.23Å |
| 270 | A | 92 | Very high | 95 | Very high | 24 Ų | 24 | 19.4 Ų | 19.4 | 20% | 0.198 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -35.3 | 121.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R252 D273 D335 L337 | R252-A270 PolarHBondContact NE-O 3.32Å; R252-A270 PolarHBondContact NH2-O 3.07Å; A270-D273 VanDerWaalsContact C-OD2 3.24Å; A270-D273 WeakPolarHBondContact CA-OD2 3.48Å; A270-D335 PolarHBondContact N-OD1 3.27Å; A270-L337 HydrophobicContact CB-CD1 3.81Å |
| 271 | G | 93.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 16.7 Ų | 16.7 | 17% | 0.165 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | T206 A207 G269 D273 | T206-G271 PolarHBondContact N-O 2.79Å; T206-G271 VanDerWaalsContact N-O 3.12Å; A207-G271 PolarHBondContact N-O 2.95Å; G269-G271 PolarHBondContact O-N 3.3Å; G271-D273 PolarHBondContact N-OD2 3.13Å |
| 272 | I | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | -49.2 | 175.4 | -53 | 177.8 | 0 | 0 | 0 | 110.4 | T206 V250 G251 R252 G269 S274 Y275 Y276 | T206-I272 HydrophobicContact CG2-CG2 4.37Å; V250-I272 HydrophobicContact CG2-CG2 3.97Å; G251-I272 VanDerWaalsContact O-CD1 3.29Å; G251-I272 WeakPolarHBondContact O-CD1 3.34Å; G251-I272 WeakPolarHBondContact O-CG1 3.47Å; R252-I272 HydrophobicContact CB-CD1 4.06Å; R252-I272 HydrophobicContact CB-CG1 4.21Å; G269-I272 PolarHBondContact O-N 3.15Å; I272-S274 PolarHBondContact O-N 3.27Å; I272-S274 VanDerWaalsContact O-N 3.11Å; I272-Y275 VanDerWaalsContact O-CB 3.28Å; I272-Y275 WeakPolarHBondContact O-CB 3.09Å; I272-Y275 PolarHBondContact O-N 3.41Å; I272-Y276 HydrophobicContact CG2-CD2 4.17Å; I272-Y276 HydrophobicContact CG2-CE1 4.45Å; I272-Y276 HydrophobicContact CG2-CE2 3.49Å; I272-Y276 VanDerWaalsContact CG2-CE2 3.49Å |
| 273 | D | 96.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 15.8 Ų | 15.8 | 10% | 0.096 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | 8.8 | -89.6 | 163.5 | 42.9 | 66.5 | 0 | 0 | 0 | 116.6 | A207 V268 G269 A270 G271 Y275 Y276 F340 | A207-D273 VanDerWaalsContact CB-OD1 3.26Å; A207-D273 WeakPolarHBondContact CB-OD1 3.39Å; V268-D273 VanDerWaalsContact O-CA 3.3Å; V268-D273 WeakPolarHBondContact O-CA 3.49Å; G269-D273 PolarHBondContact O-N 3.08Å; A270-D273 VanDerWaalsContact C-OD2 3.24Å; A270-D273 WeakPolarHBondContact CA-OD2 3.48Å; G271-D273 PolarHBondContact N-OD2 3.13Å; D273-Y275 VanDerWaalsContact C-N 3.29Å; D273-Y275 PolarHBondContact O-N 2.77Å; D273-Y276 PolarHBondContact O-N 3.48Å; D273-Y276 VanDerWaalsContact O-N 3.16Å; D273-F340 HydrophobicContact CB-CE1 4.17Å; D273-F340 HydrophobicContact CB-CE2 4.29Å; D273-F340 HydrophobicContact CB-CZ 3.85Å; D273-F340 WeakPolarHBondContact O-CE2 3.44Å; D273-F340 WeakPolarHBondContact O-CZ 3.39Å |
| 274 | S | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.2 | -11.9 | -170.4 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | A207 T211 I272 E277 Y278 | A207-S274 WeakPolarHBondContact CB-OG 3.3Å; T211-S274 WeakPolarHBondContact CG2-OG 3.49Å; T211-S274 VanDerWaalsContact OG1-C 3.22Å; T211-S274 VanDerWaalsContact OG1-CB 3.32Å; T211-S274 WeakPolarHBondContact OG1-CB 3.48Å; T211-S274 PolarHBondContact OG1-O 2.84Å; T211-S274 PolarHBondContact OG1-OG 3.02Å; I272-S274 PolarHBondContact O-N 3.27Å; I272-S274 VanDerWaalsContact O-N 3.11Å; S274-E277 WeakPolarHBondContact O-CB 3.12Å; S274-E277 PolarHBondContact O-N 3.16Å; S274-Y278 WeakPolarHBondContact O-CB 3.46Å; S274-Y278 PolarHBondContact O-N 3.38Å |
| 275 | Y | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 166.5 | 164.9 | -107.9 | 0 | 0 | 0 | 110.9 | T206 T211 M236 L239 V250 I272 D273 Y278 L279 H298 | T206-Y275 HydrophobicContact CG2-CD1 3.88Å; T206-Y275 HydrophobicContact CG2-CD2 4.36Å; T206-Y275 HydrophobicContact CG2-CE1 4.46Å; T206-Y275 HydrophobicContact CG2-CG 3.82Å; T211-Y275 PolarHBondContact OG1-N 2.84Å; M236-Y275 HydrophobicContact CE-CD2 4.15Å; M236-Y275 HydrophobicContact CE-CE2 4.37Å; M236-Y275 HydrophobicContact SD-CD2 3.56Å; M236-Y275 VanDerWaalsContact SD-CD2 3.56Å; M236-Y275 HydrophobicContact SD-CE2 3.46Å; M236-Y275 WeakPolarHBondContact SD-CE2 3.18Å; L239-Y275 HydrophobicContact CB-CE2 3.99Å; L239-Y275 HydrophobicContact CD1-CD2 3.89Å; L239-Y275 HydrophobicContact CD1-CE2 3.87Å; V250-Y275 HydrophobicContact CG1-CE1 4.02Å; V250-Y275 HydrophobicContact CG2-CD1 4.01Å; V250-Y275 HydrophobicContact CG2-CE1 3.84Å; I272-Y275 VanDerWaalsContact O-CB 3.28Å; I272-Y275 WeakPolarHBondContact O-CB 3.09Å; I272-Y275 PolarHBondContact O-N 3.41Å; D273-Y275 VanDerWaalsContact C-N 3.29Å; D273-Y275 PolarHBondContact O-N 2.77Å; Y275-Y278 PolarHBondContact O-N 3.46Å; Y275-L279 HydrophobicContact CD1-CD1 4.42Å; Y275-L279 HydrophobicContact CE1-CD1 3.88Å; Y275-L279 HydrophobicContact CE2-CD1 4.19Å; Y275-L279 HydrophobicContact CE2-CD2 4.43Å; Y275-L279 HydrophobicContact CE2-CG 4.32Å; Y275-L279 WeakPolarHBondContact O-CG 3.46Å; Y275-L279 PolarHBondContact O-N 2.9Å; Y275-L279 VanDerWaalsContact O-N 3.1Å; Y275-H298 AromaticContact CE1-CD2 3.9Å; Y275-H298 AromaticContact CE1-NE2 3.18Å; Y275-H298 WeakPolarHBondContact CE1-NE2 3.36Å; Y275-H298 AromaticContact CZ-NE2 3.07Å; Y275-H298 PolarHBondContact OH-NE2 2.91Å |
| 276 | Y | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.2 | -38.6 | 177.7 | -60.2 | -48.2 | 0 | 0 | 0 | 111.3 | V250 G267 V268 I272 D273 L279 L280 F295 H298 V302 W341 | V250-Y276 HydrophobicContact CG2-CE1 4.02Å; G267-Y276 WeakPolarHBondContact O-CE2 3.17Å; V268-Y276 HydrophobicContact CG1-CE2 4.39Å; I272-Y276 HydrophobicContact CG2-CD2 4.17Å; I272-Y276 HydrophobicContact CG2-CE1 4.45Å; I272-Y276 HydrophobicContact CG2-CE2 3.49Å; I272-Y276 VanDerWaalsContact CG2-CE2 3.49Å; D273-Y276 PolarHBondContact O-N 3.48Å; D273-Y276 VanDerWaalsContact O-N 3.16Å; Y276-L279 PolarHBondContact O-N 3.34Å; Y276-L280 PolarHBondContact O-N 3.43Å; Y276-F295 VanDerWaalsContact O-CD2 3.32Å; Y276-F295 WeakPolarHBondContact O-CD2 3.44Å; Y276-H298 HydrophobicContact CD1-CB 3.75Å; Y276-H298 AromaticContact CD1-CG 3.98Å; Y276-H298 HydrophobicContact CE1-CB 3.6Å; Y276-H298 AromaticContact CE1-CG 3.62Å; Y276-H298 AromaticContact CE1-ND1 3.89Å; Y276-V302 HydrophobicContact CE2-CG2 4.19Å; Y276-W341 HydrophobicContact CD2-CH2 4.12Å; Y276-W341 AromaticContact CD2-CZ3 3.84Å; Y276-W341 HydrophobicContact CD2-CZ3 3.84Å; Y276-W341 HydrophobicContact CG-CH2 4.33Å; Y276-W341 HydrophobicContact CG-CZ3 4.14Å |
| 277 | E | 97.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.2 | -50.6 | 171.8 | -169.5 | -164.9 | 130.6 | 0 | 0 | 111.5 | S274 L279 L280 K281 F340 I344 T475 | S274-E277 WeakPolarHBondContact O-CB 3.12Å; S274-E277 PolarHBondContact O-N 3.16Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3.4Å; E277-L280 CarbonylContact O-C 3.43Å; E277-L280 WeakPolarHBondContact O-CA 3.48Å; E277-L280 PolarHBondContact O-N 3.32Å; E277-K281 HydrophobicContact CG-CD 3.66Å; E277-K281 HydrophobicContact CG-CG 4.04Å; E277-K281 WeakPolarHBondContact O-CB 3.17Å; E277-K281 PolarHBondContact O-N 3.25Å; E277-K281 VanDerWaalsContact OE1-CD 3.25Å; E277-K281 WeakPolarHBondContact OE1-CD 3.41Å; E277-K281 WeakPolarHBondContact OE1-CE 3.14Å; E277-K281 IonicContact OE1-NZ 3.09Å; E277-K281 PolarHBondContact OE1-NZ 3.19Å; E277-F340 HydrophobicContact CB-CE2 4.09Å; E277-I344 HydrophobicContact CB-CD1 3.76Å; E277-I344 HydrophobicContact CG-CD1 4.01Å; E277-T475 WeakPolarHBondContact OE1-CA 3.48Å; E277-T475 PolarHBondContact OE1-N 3.47Å |
| 278 | Y | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.4 | -19.7 | -175.8 | -84 | 34.7 | 0 | 0 | 0 | 112.1 | T211 I213 L214 E215 S274 Y275 A282 T474 T475 | T211-Y278 VanDerWaalsContact CA-CD2 3.45Å; T211-Y278 HydrophobicContact CG2-CD1 3.84Å; T211-Y278 HydrophobicContact CG2-CD2 3.71Å; T211-Y278 HydrophobicContact CG2-CE1 3.61Å; T211-Y278 HydrophobicContact CG2-CE2 3.46Å; T211-Y278 VanDerWaalsContact CG2-CE2 3.46Å; T211-Y278 HydrophobicContact CG2-CG 3.91Å; T211-Y278 VanDerWaalsContact CG2-CZ 3.42Å; I213-Y278 HydrophobicContact CG2-CD2 3.83Å; I213-Y278 HydrophobicContact CG2-CG 4.37Å; L214-Y278 HydrophobicContact CB-CD2 4.24Å; L214-Y278 HydrophobicContact CB-CE2 3.76Å; L214-Y278 HydrophobicContact CD1-CD1 3.87Å; L214-Y278 HydrophobicContact CD1-CD2 4.06Å; L214-Y278 HydrophobicContact CD1-CE1 3.53Å; L214-Y278 HydrophobicContact CD1-CE2 3.77Å; L214-Y278 HydrophobicContact CD1-CG 4.12Å; L214-Y278 VanDerWaalsContact CD1-CZ 3.48Å; L214-Y278 HydrophobicContact CG-CD1 4.28Å; L214-Y278 HydrophobicContact CG-CD2 3.61Å; L214-Y278 HydrophobicContact CG-CE1 4.19Å; L214-Y278 HydrophobicContact CG-CE2 3.52Å; L214-Y278 HydrophobicContact CG-CG 4Å; E215-Y278 PolarHBondContact OE1-OH 2.95Å; E215-Y278 WeakPolarHBondContact OE2-CE2 3.46Å; S274-Y278 WeakPolarHBondContact O-CB 3.46Å; S274-Y278 PolarHBondContact O-N 3.38Å; Y275-Y278 PolarHBondContact O-N 3.46Å; Y278-A282 WeakPolarHBondContact O-CA 3.36Å; Y278-A282 WeakPolarHBondContact O-CB 3.39Å; Y278-A282 PolarHBondContact O-N 3.28Å; Y278-T474 WeakPolarHBondContact OH-CB 3.31Å; Y278-T475 HydrophobicContact CE1-CG2 4.28Å; Y278-T475 PolarHBondContact OH-N 2.88Å |
| 279 | L | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.7 | -38.1 | 164.8 | -67.7 | 174.5 | 0 | 0 | 0 | 112.4 | M236 Y275 Y276 E277 Y291 R294 F295 H298 | M236-L279 HydrophobicContact CE-CD2 3.79Å; M236-L279 HydrophobicContact CE-CG 4.08Å; M236-L279 HydrophobicContact SD-CD2 4.21Å; Y275-L279 HydrophobicContact CD1-CD1 4.42Å; Y275-L279 HydrophobicContact CE1-CD1 3.88Å; Y275-L279 HydrophobicContact CE2-CD1 4.19Å; Y275-L279 HydrophobicContact CE2-CD2 4.43Å; Y275-L279 HydrophobicContact CE2-CG 4.32Å; Y275-L279 WeakPolarHBondContact O-CG 3.46Å; Y275-L279 PolarHBondContact O-N 2.9Å; Y275-L279 VanDerWaalsContact O-N 3.1Å; Y276-L279 PolarHBondContact O-N 3.34Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3.4Å; L279-Y291 HydrophobicContact CD2-CD1 4.06Å; L279-Y291 CarbonylContact O-C 3.38Å; L279-Y291 WeakPolarHBondContact O-CB 3.46Å; L279-R294 HydrophobicContact CD1-CB 3.92Å; L279-R294 HydrophobicContact CD2-CB 3.86Å; L279-R294 HydrophobicContact CG-CB 4.43Å; L279-F295 HydrophobicContact CB-CB 3.83Å; L279-H298 VanDerWaalsContact CD1-CD2 3.48Å; L279-H298 WeakPolarHBondContact CD1-CD2 3.47Å |
| 280 | L | 95.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 21.4 Ų | 21.4 | 18% | 0.178 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -76.2 | -50.4 | 175 | -178.2 | 58.5 | 0 | 0 | 0 | 111.7 | Y276 E277 A282 Y283 I284 L292 F295 I344 | Y276-L280 PolarHBondContact O-N 3.43Å; E277-L280 CarbonylContact O-C 3.43Å; E277-L280 WeakPolarHBondContact O-CA 3.48Å; E277-L280 PolarHBondContact O-N 3.32Å; L280-A282 PolarHBondContact O-N 3.49Å; L280-Y283 WeakPolarHBondContact O-CB 3.14Å; L280-Y283 PolarHBondContact O-N 3.41Å; L280-I284 HydrophobicContact CD1-CD1 4.24Å; L280-I284 HydrophobicContact CG-CD1 4.08Å; L280-I284 WeakPolarHBondContact O-CG1 3.43Å; L280-I284 PolarHBondContact O-N 3.01Å; L280-I284 VanDerWaalsContact O-N 3.15Å; L280-L292 HydrophobicContact CD1-CD1 4.38Å; L280-F295 HydrophobicContact CB-CD1 4.28Å; L280-F295 HydrophobicContact CB-CD2 3.9Å; L280-F295 HydrophobicContact CB-CE1 4.48Å; L280-F295 HydrophobicContact CB-CE2 4.11Å; L280-F295 HydrophobicContact CB-CG 3.99Å; L280-F295 HydrophobicContact CB-CZ 4.4Å; L280-F295 HydrophobicContact CD1-CD1 4.06Å; L280-F295 HydrophobicContact CD1-CE1 4.19Å; L280-F295 HydrophobicContact CD2-CE1 4.16Å; L280-F295 HydrophobicContact CD2-CE2 4.43Å; L280-F295 HydrophobicContact CD2-CZ 4.03Å; L280-I344 HydrophobicContact CD2-CG2 4.06Å |
| 281 | K | 96.4 | Very high | 91.2 | Very high | 19 Ų | 19 | 20.3 Ų | 20.3 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -34.5 | -178.6 | -66.9 | -170.7 | 176.7 | 173.8 | 0 | 112.2 | L214 E277 I284 L285 E392 I472 F473 T474 | L214-K281 HydrophobicContact CD1-CB 3.78Å; L214-K281 HydrophobicContact CD1-CD 4.21Å; L214-K281 HydrophobicContact CD2-CB 4.22Å; E277-K281 HydrophobicContact CG-CD 3.66Å; E277-K281 HydrophobicContact CG-CG 4.04Å; E277-K281 WeakPolarHBondContact O-CB 3.17Å; E277-K281 PolarHBondContact O-N 3.25Å; E277-K281 VanDerWaalsContact OE1-CD 3.25Å; E277-K281 WeakPolarHBondContact OE1-CD 3.41Å; E277-K281 WeakPolarHBondContact OE1-CE 3.14Å; E277-K281 IonicContact OE1-NZ 3.09Å; E277-K281 PolarHBondContact OE1-NZ 3.19Å; K281-I284 PolarHBondContact O-N 3.36Å; K281-L285 WeakPolarHBondContact O-CB 3.18Å; K281-L285 PolarHBondContact O-N 2.89Å; K281-E392 IonicContact NZ-OE1 2.88Å; K281-I472 HydrophobicContact CB-CG1 4.11Å; K281-I472 HydrophobicContact CD-CG1 4.22Å; K281-I472 HydrophobicContact CG-CD1 4.19Å; K281-I472 HydrophobicContact CG-CG1 4.11Å; K281-F473 WeakPolarHBondContact CD-O 3.36Å; K281-F473 VanDerWaalsContact CE-O 3.27Å; K281-F473 WeakPolarHBondContact CE-O 3.33Å; K281-F473 PolarHBondContact NZ-O 3.11Å; K281-T474 PolarHBondContact NZ-O 3.4Å |
| 282 | A | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.5 | -28.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | I213 L214 Y278 L280 L286 Y291 | I213-A282 HydrophobicContact CG1-CB 4.4Å; I213-A282 HydrophobicContact CG2-CB 4.04Å; L214-A282 HydrophobicContact CD2-CB 3.9Å; Y278-A282 WeakPolarHBondContact O-CA 3.36Å; Y278-A282 WeakPolarHBondContact O-CB 3.39Å; Y278-A282 PolarHBondContact O-N 3.28Å; L280-A282 PolarHBondContact O-N 3.49Å; A282-L286 HydrophobicContact CB-CD1 4.07Å; A282-L286 HydrophobicContact CB-CG 4.39Å; A282-L286 WeakPolarHBondContact O-CA 3.19Å; A282-L286 WeakPolarHBondContact O-CB 3.46Å; A282-L286 VanDerWaalsContact O-CG 3.31Å; A282-L286 WeakPolarHBondContact O-CG 3.1Å; A282-L286 PolarHBondContact O-N 3.36Å; A282-Y291 HydrophobicContact CB-CD1 4.29Å; A282-Y291 HydrophobicContact CB-CD2 4Å; A282-Y291 HydrophobicContact CB-CE2 4.26Å; A282-Y291 HydrophobicContact CB-CG 4.03Å |
| 283 | Y | 91.4 | Very high | 90.5 | Very high | 87 Ų | 87 | 25 Ų | 25 | 34% | 0.341 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 167.1 | 166.6 | -111.7 | 0 | 0 | 0 | 110.9 | L280 G287 L292 | L280-Y283 WeakPolarHBondContact O-CB 3.14Å; L280-Y283 PolarHBondContact O-N 3.41Å; Y283-G287 VanDerWaalsContact O-CA 3.28Å; Y283-G287 WeakPolarHBondContact O-CA 3.46Å; Y283-G287 PolarHBondContact O-N 2.88Å; Y283-L292 HydrophobicContact CD1-CB 3.93Å; Y283-L292 HydrophobicContact CD1-CD1 4.13Å; Y283-L292 HydrophobicContact CD1-CD2 4.23Å; Y283-L292 HydrophobicContact CD1-CG 4.32Å; Y283-L292 HydrophobicContact CD2-CB 3.72Å; Y283-L292 HydrophobicContact CE1-CB 4.33Å; Y283-L292 HydrophobicContact CE1-CD1 4.37Å; Y283-L292 HydrophobicContact CE1-CD2 3.82Å; Y283-L292 HydrophobicContact CE1-CG 4.4Å; Y283-L292 HydrophobicContact CE2-CB 4.12Å; Y283-L292 HydrophobicContact CE2-CD2 4.17Å; Y283-L292 HydrophobicContact CG-CB 3.6Å; Y283-L292 HydrophobicContact CG-CG 4.47Å |
| 284 | I | 89 | Confident | 90.3 | Very high | 74 Ų | 74 | 24.7 Ų | 24.7 | 38% | 0.379 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.9 | -43.5 | -178.8 | -62.5 | 164.4 | 0 | 0 | 0 | 111.5 | L280 K281 I472 L482 | L280-I284 HydrophobicContact CD1-CD1 4.24Å; L280-I284 HydrophobicContact CG-CD1 4.08Å; L280-I284 WeakPolarHBondContact O-CG1 3.43Å; L280-I284 PolarHBondContact O-N 3.01Å; L280-I284 VanDerWaalsContact O-N 3.15Å; K281-I284 PolarHBondContact O-N 3.36Å; I284-I472 HydrophobicContact CB-CD1 4.48Å; I284-I472 HydrophobicContact CD1-CD1 4.36Å; I284-I472 HydrophobicContact CG2-CD1 4.06Å; I284-L482 HydrophobicContact CG2-CD2 3.77Å |
| 285 | L | 88.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -78 | -40.8 | -177.6 | -174.4 | 59.2 | 0 | 0 | 0 | 113.8 | L214 K281 I472 L480 P481 L482 L484 S485 | L214-L285 HydrophobicContact CB-CD2 4.32Å; L214-L285 HydrophobicContact CD2-CB 4.27Å; L214-L285 HydrophobicContact CD2-CD2 3.86Å; K281-L285 WeakPolarHBondContact O-CB 3.18Å; K281-L285 PolarHBondContact O-N 2.89Å; L285-I472 HydrophobicContact CB-CG2 4.16Å; L285-I472 HydrophobicContact CD1-CG2 3.87Å; L285-I472 HydrophobicContact CD2-CG2 4.09Å; L285-I472 HydrophobicContact CG-CG2 4.25Å; L285-L480 HydrophobicContact CD1-CB 4.36Å; L285-L480 HydrophobicContact CD2-CB 4.19Å; L285-L480 HydrophobicContact CD2-CD1 3.92Å; L285-P481 WeakPolarHBondContact CD1-O 3.23Å; L285-L482 HydrophobicContact CD1-CD2 4.37Å; L285-L484 HydrophobicContact CD1-CB 4.16Å; L285-L484 HydrophobicContact CD1-CD1 4.21Å; L285-S485 VanDerWaalsContact O-CA 3.24Å; L285-S485 WeakPolarHBondContact O-CA 3.11Å; L285-S485 VanDerWaalsContact O-CB 3.27Å; L285-S485 WeakPolarHBondContact O-CB 3.35Å; L285-S485 PolarHBondContact O-N 3.2Å |
| 286 | L | 87 | Confident | 89.8 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -99.5 | -19.6 | -170.1 | -47.9 | -177.7 | 0 | 0 | 0 | 112.9 | I213 A217 A282 E288 Y291 | I213-L286 HydrophobicContact CD1-CD1 4.33Å; I213-L286 HydrophobicContact CG1-CD1 4.06Å; A217-L286 HydrophobicContact CB-CD1 4.05Å; A217-L286 HydrophobicContact CB-CD2 3.54Å; A217-L286 HydrophobicContact CB-CG 4.46Å; A282-L286 HydrophobicContact CB-CD1 4.07Å; A282-L286 HydrophobicContact CB-CG 4.39Å; A282-L286 WeakPolarHBondContact O-CA 3.19Å; A282-L286 WeakPolarHBondContact O-CB 3.46Å; A282-L286 VanDerWaalsContact O-CG 3.31Å; A282-L286 WeakPolarHBondContact O-CG 3.1Å; A282-L286 PolarHBondContact O-N 3.36Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 HydrophobicContact CB-CG 4.46Å; L286-E288 PolarHBondContact O-N 2.72Å; L286-Y291 HydrophobicContact CD1-CE2 3.85Å |
| 287 | G | 77 | Confident | 89.5 | Confident | 34 Ų | 34 | 31.2 Ų | 31.2 | 35% | 0.351 | 16% | 0.163 | S | C | . | . | trans | 78.2 | 5.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y283 P289 | Y283-G287 VanDerWaalsContact O-CA 3.28Å; Y283-G287 WeakPolarHBondContact O-CA 3.46Å; Y283-G287 PolarHBondContact O-N 2.88Å; G287-P289 WeakPolarHBondContact O-CD 3.24Å | ||
| 288 | E | 76.3 | Confident | 89.4 | Confident | 54 Ų | 54 | 31 Ų | 31 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | trans | -88.8 | 110.3 | -172 | -73.6 | -61.3 | 149.4 | 0 | 0 | 111.6 | L286 V290 Y291 | L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 HydrophobicContact CB-CG 4.46Å; L286-E288 PolarHBondContact O-N 2.72Å; E288-V290 HydrophobicContact CB-CG1 4.27Å; E288-V290 PolarHBondContact O-N 2.75Å; E288-Y291 HydrophobicContact CB-CD2 3.7Å; E288-Y291 HydrophobicContact CB-CE2 3.75Å; E288-Y291 HydrophobicContact CG-CE2 4.42Å; E288-Y291 PolarHBondContact O-N 2.75Å; E288-Y291 VanDerWaalsContact O-N 3.13Å | ||
| 289 | P | 78.1 | Confident | 89.1 | Confident | 45 Ų | 45 | 32.5 Ų | 32.5 | 29% | 0.292 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.7 | -13.3 | -169.1 | 29 | -36.7 | 0 | 0 | 0 | 113.7 | G287 Y291 L292 H293 A555 | G287-P289 WeakPolarHBondContact O-CD 3.24Å; P289-Y291 PolarHBondContact O-N 2.93Å; P289-L292 PolarHBondContact O-N 3.06Å; P289-H293 PolarHBondContact O-N 2.83Å; P289-A555 HydrophobicContact CG-CB 3.53Å |
| 290 | V | 83.6 | Confident | 88.8 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 22% | 0.218 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.2 | -36.6 | 171.8 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | E288 R294 F495 | E288-V290 HydrophobicContact CB-CG1 4.27Å; E288-V290 PolarHBondContact O-N 2.75Å; V290-R294 WeakPolarHBondContact O-CG 3.42Å; V290-R294 PolarHBondContact O-N 2.24Å; V290-R294 VanDerWaalsContact O-N 3.14Å; V290-F495 HydrophobicContact CG1-CD1 4.42Å; V290-F495 HydrophobicContact CG1-CE1 3.76Å; V290-F495 HydrophobicContact CG1-CZ 4.05Å; V290-F495 HydrophobicContact CG2-CE1 4.38Å |
| 291 | Y | 88 | Confident | 88.6 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.5 | -39.5 | 179.2 | -59 | -69.8 | 0 | 0 | 0 | 111.6 | L279 A282 L286 E288 P289 R294 F295 | L279-Y291 HydrophobicContact CD2-CD1 4.06Å; L279-Y291 CarbonylContact O-C 3.38Å; L279-Y291 WeakPolarHBondContact O-CB 3.46Å; A282-Y291 HydrophobicContact CB-CD1 4.29Å; A282-Y291 HydrophobicContact CB-CD2 4Å; A282-Y291 HydrophobicContact CB-CE2 4.26Å; A282-Y291 HydrophobicContact CB-CG 4.03Å; L286-Y291 HydrophobicContact CD1-CE2 3.85Å; E288-Y291 HydrophobicContact CB-CD2 3.7Å; E288-Y291 HydrophobicContact CB-CE2 3.75Å; E288-Y291 HydrophobicContact CG-CE2 4.42Å; E288-Y291 PolarHBondContact O-N 2.75Å; E288-Y291 VanDerWaalsContact O-N 3.13Å; P289-Y291 PolarHBondContact O-N 2.93Å; Y291-R294 PolarHBondContact O-N 3.48Å; Y291-F295 WeakPolarHBondContact O-CB 3.36Å; Y291-F295 PolarHBondContact O-N 3.03Å |
| 292 | L | 87.4 | Confident | 88.4 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 20% | 0.199 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 174.4 | -179.8 | 63.8 | 0 | 0 | 0 | 112 | L280 Y283 P289 R294 F295 Q296 | L280-L292 HydrophobicContact CD1-CD1 4.38Å; Y283-L292 HydrophobicContact CD1-CB 3.93Å; Y283-L292 HydrophobicContact CD1-CD1 4.13Å; Y283-L292 HydrophobicContact CD1-CD2 4.23Å; Y283-L292 HydrophobicContact CD1-CG 4.32Å; Y283-L292 HydrophobicContact CD2-CB 3.72Å; Y283-L292 HydrophobicContact CE1-CB 4.33Å; Y283-L292 HydrophobicContact CE1-CD1 4.37Å; Y283-L292 HydrophobicContact CE1-CD2 3.82Å; Y283-L292 HydrophobicContact CE1-CG 4.4Å; Y283-L292 HydrophobicContact CE2-CB 4.12Å; Y283-L292 HydrophobicContact CE2-CD2 4.17Å; Y283-L292 HydrophobicContact CG-CB 3.6Å; Y283-L292 HydrophobicContact CG-CG 4.47Å; P289-L292 PolarHBondContact O-N 3.06Å; L292-R294 VanDerWaalsContact C-N 3.32Å; L292-R294 PolarHBondContact O-N 2.82Å; L292-F295 HydrophobicContact CD1-CD1 4.45Å; L292-F295 PolarHBondContact O-N 2.53Å; L292-Q296 HydrophobicContact CD1-CG 4.05Å; L292-Q296 HydrophobicContact CG-CG 4.27Å; L292-Q296 WeakPolarHBondContact O-CB 3.46Å; L292-Q296 WeakPolarHBondContact O-CG 3.49Å; L292-Q296 PolarHBondContact O-N 2.79Å |
| 293 | H | 87.9 | Confident | 88.1 | Confident | 76 Ų | 76 | 36.8 Ų | 36.8 | 35% | 0.352 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.7 | -47 | 177.3 | 168.8 | 39.9 | 0 | 0 | 0 | 111.1 | P289 Q296 T297 | P289-H293 PolarHBondContact O-N 2.83Å; H293-Q296 PolarHBondContact O-N 3.13Å; H293-T297 PolarHBondContact CE1-OG1 2.93Å; H293-T297 PolarHBondContact O-N 3.44Å; H293-T297 PolarHBondContact O-OG1 3.47Å |
| 294 | R | 92.7 | Very high | 87.8 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.9 | -68.1 | 177.8 | 178 | 166.3 | 4.7 | 111.8 | W240 L279 V290 Y291 L292 T297 H298 | W240-R294 HydrophobicContact CD2-CB 4.41Å; W240-R294 HydrophobicContact CD2-CG 3.52Å; W240-R294 HydrophobicContact CE3-CB 3.87Å; W240-R294 HydrophobicContact CE3-CG 3.49Å; W240-R294 VanDerWaalsContact CE3-CG 3.49Å; W240-R294 HydrophobicContact CG-CG 4.09Å; W240-R294 VanDerWaalsContact CG-NE 3.26Å; W240-R294 HydrophobicContact CH2-CB 4.31Å; W240-R294 HydrophobicContact CH2-CG 3.96Å; W240-R294 HydrophobicContact CZ2-CG 4.01Å; W240-R294 HydrophobicContact CZ3-CB 3.83Å; W240-R294 HydrophobicContact CZ3-CG 3.72Å; L279-R294 HydrophobicContact CD1-CB 3.92Å; L279-R294 HydrophobicContact CD2-CB 3.86Å; L279-R294 HydrophobicContact CG-CB 4.43Å; V290-R294 WeakPolarHBondContact O-CG 3.42Å; V290-R294 PolarHBondContact O-N 2.24Å; V290-R294 VanDerWaalsContact O-N 3.14Å; Y291-R294 PolarHBondContact O-N 3.48Å; L292-R294 VanDerWaalsContact C-N 3.32Å; L292-R294 PolarHBondContact O-N 2.82Å; R294-T297 PolarHBondContact O-N 2.95Å; R294-H298 PolarHBondContact O-CD2 3.4Å; R294-H298 PolarHBondContact O-N 3.19Å |
| 295 | F | 94.3 | Very high | 87.7 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.1 | -50.8 | 176 | 173.1 | -104 | 0 | 0 | 0 | 111.2 | Y276 L279 L280 Y291 L292 T297 H298 Y299 I344 | Y276-F295 VanDerWaalsContact O-CD2 3.32Å; Y276-F295 WeakPolarHBondContact O-CD2 3.44Å; L279-F295 HydrophobicContact CB-CB 3.83Å; L280-F295 HydrophobicContact CB-CD1 4.28Å; L280-F295 HydrophobicContact CB-CD2 3.9Å; L280-F295 HydrophobicContact CB-CE1 4.48Å; L280-F295 HydrophobicContact CB-CE2 4.11Å; L280-F295 HydrophobicContact CB-CG 3.99Å; L280-F295 HydrophobicContact CB-CZ 4.4Å; L280-F295 HydrophobicContact CD1-CD1 4.06Å; L280-F295 HydrophobicContact CD1-CE1 4.19Å; L280-F295 HydrophobicContact CD2-CE1 4.16Å; L280-F295 HydrophobicContact CD2-CE2 4.43Å; L280-F295 HydrophobicContact CD2-CZ 4.03Å; Y291-F295 WeakPolarHBondContact O-CB 3.36Å; Y291-F295 PolarHBondContact O-N 3.03Å; L292-F295 HydrophobicContact CD1-CD1 4.45Å; L292-F295 PolarHBondContact O-N 2.53Å; F295-T297 PolarHBondContact O-N 3.3Å; F295-H298 PolarHBondContact O-N 3.12Å; F295-Y299 HydrophobicContact CE1-CD2 4.28Å; F295-Y299 HydrophobicContact CE1-CG 4.36Å; F295-Y299 HydrophobicContact CE2-CD2 4.31Å; F295-Y299 AromaticContact CZ-CD2 3.7Å; F295-Y299 HydrophobicContact CZ-CD2 3.7Å; F295-Y299 HydrophobicContact CZ-CE2 4.35Å; F295-Y299 HydrophobicContact CZ-CG 4.19Å; F295-Y299 WeakPolarHBondContact O-CB 3.48Å; F295-Y299 PolarHBondContact O-N 2.73Å; F295-I344 HydrophobicContact CE2-CG2 3.56Å; F295-I344 HydrophobicContact CZ-CG2 3.46Å; F295-I344 VanDerWaalsContact CZ-CG2 3.46Å |
| 296 | Q | 90.2 | Very high | 87.7 | Confident | 100 Ų | 100 | 36.5 Ų | 36.5 | 47% | 0.467 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.5 | -42.7 | -179.1 | -73.4 | 173.6 | -26.8 | 0 | 0 | 112.4 | L292 H293 Y299 E300 | L292-Q296 HydrophobicContact CD1-CG 4.05Å; L292-Q296 HydrophobicContact CG-CG 4.27Å; L292-Q296 WeakPolarHBondContact O-CB 3.46Å; L292-Q296 WeakPolarHBondContact O-CG 3.49Å; L292-Q296 PolarHBondContact O-N 2.79Å; H293-Q296 PolarHBondContact O-N 3.13Å; Q296-Y299 PolarHBondContact O-N 3.37Å; Q296-E300 PolarHBondContact O-N 3.24Å |
| 297 | T | 92 | Very high | 87.3 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 18% | 0.184 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 175.7 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | W240 D248 H293 R294 F295 Y299 A301 | W240-T297 HydrophobicContact CH2-CG2 3.86Å; W240-T297 HydrophobicContact CZ3-CG2 4.22Å; D248-T297 HydrophobicContact CB-CG2 3.68Å; D248-T297 WeakPolarHBondContact OD1-CG2 3.47Å; H293-T297 PolarHBondContact CE1-OG1 2.93Å; H293-T297 PolarHBondContact O-N 3.44Å; H293-T297 PolarHBondContact O-OG1 3.47Å; R294-T297 PolarHBondContact O-N 2.95Å; F295-T297 PolarHBondContact O-N 3.3Å; T297-Y299 VanDerWaalsContact C-N 3.35Å; T297-A301 PolarHBondContact O-N 3.14Å; T297-A301 VanDerWaalsContact O-N 3.13Å |
| 298 | H | 94.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | 174.1 | -73.7 | -54.2 | 0 | 0 | 0 | 112.6 | W240 R243 D248 V250 Y275 Y276 L279 R294 F295 A301 V302 | W240-H298 AromaticContact CE3-NE2 3.31Å; W240-H298 VanDerWaalsContact CE3-NE2 3.31Å; W240-H298 AromaticContact CZ3-NE2 3.79Å; R243-H298 WeakPolarHBondContact CB-CE1 3.48Å; R243-H298 WeakPolarHBondContact CD-CE1 3.35Å; D248-H298 PolarHBondContact O-CE1 3.25Å; D248-H298 PolarHBondContact O-ND1 3.22Å; V250-H298 WeakPolarHBondContact CG1-CE1 3.16Å; Y275-H298 AromaticContact CE1-CD2 3.9Å; Y275-H298 AromaticContact CE1-NE2 3.18Å; Y275-H298 WeakPolarHBondContact CE1-NE2 3.36Å; Y275-H298 AromaticContact CZ-NE2 3.07Å; Y275-H298 PolarHBondContact OH-NE2 2.91Å; Y276-H298 HydrophobicContact CD1-CB 3.75Å; Y276-H298 AromaticContact CD1-CG 3.98Å; Y276-H298 HydrophobicContact CE1-CB 3.6Å; Y276-H298 AromaticContact CE1-CG 3.62Å; Y276-H298 AromaticContact CE1-ND1 3.89Å; L279-H298 VanDerWaalsContact CD1-CD2 3.48Å; L279-H298 WeakPolarHBondContact CD1-CD2 3.47Å; R294-H298 PolarHBondContact O-CD2 3.4Å; R294-H298 PolarHBondContact O-N 3.19Å; F295-H298 PolarHBondContact O-N 3.12Å; H298-A301 WeakPolarHBondContact O-CB 3.38Å; H298-A301 PolarHBondContact O-N 2.91Å; H298-V302 WeakPolarHBondContact O-CB 3.42Å; H298-V302 VanDerWaalsContact O-CG2 3.28Å; H298-V302 WeakPolarHBondContact O-CG2 3.46Å; H298-V302 PolarHBondContact O-N 3.31Å |
| 299 | Y | 92.4 | Very high | 84.9 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 179.3 | -174 | -97.8 | 0 | 0 | 0 | 111.6 | F295 Q296 T297 N303 W341 Q345 | F295-Y299 HydrophobicContact CE1-CD2 4.28Å; F295-Y299 HydrophobicContact CE1-CG 4.36Å; F295-Y299 HydrophobicContact CE2-CD2 4.31Å; F295-Y299 AromaticContact CZ-CD2 3.7Å; F295-Y299 HydrophobicContact CZ-CD2 3.7Å; F295-Y299 HydrophobicContact CZ-CE2 4.35Å; F295-Y299 HydrophobicContact CZ-CG 4.19Å; F295-Y299 WeakPolarHBondContact O-CB 3.48Å; F295-Y299 PolarHBondContact O-N 2.73Å; Q296-Y299 PolarHBondContact O-N 3.37Å; T297-Y299 VanDerWaalsContact C-N 3.35Å; Y299-N303 VanDerWaalsContact CD1-ND2 3.28Å; Y299-N303 WeakPolarHBondContact CD1-ND2 3.39Å; Y299-N303 WeakPolarHBondContact CE1-ND2 3.34Å; Y299-N303 VanDerWaalsContact CZ-ND2 3.25Å; Y299-N303 VanDerWaalsContact O-CB 3.28Å; Y299-N303 WeakPolarHBondContact O-CB 3.32Å; Y299-N303 PolarHBondContact O-N 3.03Å; Y299-N303 PolarHBondContact O-ND2 2.94Å; Y299-W341 HydrophobicContact CD2-CH2 4.19Å; Y299-W341 AromaticContact CD2-CZ2 3.78Å; Y299-W341 HydrophobicContact CD2-CZ2 3.78Å; Y299-W341 HydrophobicContact CE2-CZ2 4.07Å; Y299-Q345 HydrophobicContact CE2-CG 3.85Å |
| 300 | E | 90 | Very high | 83.1 | Confident | 119 Ų | 119 | 41.9 Ų | 41.9 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.9 | -41.3 | 171.9 | -79.1 | -163.2 | -160.5 | 0 | 0 | 112.5 | Q296 N303 R304 | Q296-E300 PolarHBondContact O-N 3.24Å; E300-N303 CarbonylContact O-C 3.57Å; E300-N303 PolarHBondContact O-N 3.48Å; E300-R304 VanDerWaalsContact O-CB 3.24Å; E300-R304 WeakPolarHBondContact O-CB 3.32Å; E300-R304 PolarHBondContact O-N 3.04Å; E300-R304 IonicContact OE2-NH2 3.14Å; E300-R304 PolarHBondContact OE2-NH2 3.36Å; E300-R304 VanDerWaalsContact OE2-NH2 3.09Å |
| 301 | A | 91.3 | Very high | 81.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -50.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S247 D248 L249 T297 H298 N303 R304 Y305 | S247-A301 WeakPolarHBondContact O-CB 3.38Å; D248-A301 HydrophobicContact CB-CB 4.06Å; L249-A301 HydrophobicContact CD2-CB 3.8Å; L249-A301 HydrophobicContact CG-CB 4.25Å; T297-A301 PolarHBondContact O-N 3.14Å; T297-A301 VanDerWaalsContact O-N 3.13Å; H298-A301 WeakPolarHBondContact O-CB 3.38Å; H298-A301 PolarHBondContact O-N 2.91Å; A301-N303 VanDerWaalsContact C-N 3.3Å; A301-N303 PolarHBondContact O-N 3.15Å; A301-R304 PolarHBondContact O-N 2.77Å; A301-Y305 HydrophobicContact CB-CD2 4.36Å; A301-Y305 WeakPolarHBondContact O-CD2 3.32Å; A301-Y305 PolarHBondContact O-N 2.93Å |
| 302 | V | 92.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -58.1 | -43.4 | 176 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | L249 V268 Y276 H298 R304 V306 S307 F318 W341 | L249-V302 HydrophobicContact CD2-CG2 4.05Å; V268-V302 HydrophobicContact CG1-CG1 3.46Å; V268-V302 VanDerWaalsContact CG1-CG1 3.46Å; V268-V302 HydrophobicContact CG1-CG2 4.23Å; Y276-V302 HydrophobicContact CE2-CG2 4.19Å; H298-V302 WeakPolarHBondContact O-CB 3.42Å; H298-V302 VanDerWaalsContact O-CG2 3.28Å; H298-V302 WeakPolarHBondContact O-CG2 3.46Å; H298-V302 PolarHBondContact O-N 3.31Å; V302-R304 PolarHBondContact O-N 3.11Å; V302-V306 HydrophobicContact CB-CB 4.5Å; V302-V306 HydrophobicContact CB-CG2 4.47Å; V302-V306 HydrophobicContact CG1-CB 4.05Å; V302-V306 HydrophobicContact CG1-CG1 4.47Å; V302-V306 HydrophobicContact CG1-CG2 4.44Å; V302-V306 HydrophobicContact CG2-CG2 4.27Å; V302-V306 WeakPolarHBondContact O-CA 3.35Å; V302-V306 WeakPolarHBondContact O-CB 3.48Å; V302-V306 PolarHBondContact O-N 3.23Å; V302-S307 PolarHBondContact O-N 2.73Å; V302-S307 PolarHBondContact O-OG 2.96Å; V302-F318 HydrophobicContact CG1-CD1 3.92Å; V302-F318 HydrophobicContact CG1-CE1 3.85Å; V302-W341 HydrophobicContact CB-CZ2 4.28Å; V302-W341 HydrophobicContact CG1-CH2 4.28Å; V302-W341 HydrophobicContact CG1-CZ2 3.59Å |
| 303 | N | 86.7 | Confident | 76.3 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -74.1 | -3.6 | 176.1 | -76.6 | -66.1 | 0 | 0 | 0 | 115.3 | Y299 E300 A301 S307 R351 | Y299-N303 VanDerWaalsContact CD1-ND2 3.28Å; Y299-N303 WeakPolarHBondContact CD1-ND2 3.39Å; Y299-N303 WeakPolarHBondContact CE1-ND2 3.34Å; Y299-N303 VanDerWaalsContact CZ-ND2 3.25Å; Y299-N303 VanDerWaalsContact O-CB 3.28Å; Y299-N303 WeakPolarHBondContact O-CB 3.32Å; Y299-N303 PolarHBondContact O-N 3.03Å; Y299-N303 PolarHBondContact O-ND2 2.94Å; E300-N303 CarbonylContact O-C 3.57Å; E300-N303 PolarHBondContact O-N 3.48Å; A301-N303 VanDerWaalsContact C-N 3.3Å; A301-N303 PolarHBondContact O-N 3.15Å; N303-S307 VanDerWaalsContact CA-OG 3.26Å; N303-S307 WeakPolarHBondContact CA-OG 3.27Å; N303-S307 PolarHBondContact O-OG 3.05Å; N303-S307 VanDerWaalsContact O-OG 3.04Å; N303-R351 VanDerWaalsContact OD1-CD 3.3Å; N303-R351 WeakPolarHBondContact OD1-CD 3.36Å; N303-R351 PolarHBondContact OD1-NH1 3.4Å |
| 304 | R | 85.7 | Confident | 74.7 | Confident | 118 Ų | 118 | 49.2 Ų | 49.2 | 45% | 0.445 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -107.8 | -27.8 | 177.7 | -172 | -178.9 | -59.8 | 149.9 | 8 | 112.6 | E300 A301 V302 | E300-R304 VanDerWaalsContact O-CB 3.24Å; E300-R304 WeakPolarHBondContact O-CB 3.32Å; E300-R304 PolarHBondContact O-N 3.04Å; E300-R304 IonicContact OE2-NH2 3.14Å; E300-R304 PolarHBondContact OE2-NH2 3.36Å; E300-R304 VanDerWaalsContact OE2-NH2 3.09Å; A301-R304 PolarHBondContact O-N 2.77Å; V302-R304 PolarHBondContact O-N 3.11Å |
| 305 | Y | 86.8 | Confident | 72.8 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -124.2 | -46.6 | -170.2 | -57.1 | -56.6 | 0 | 0 | 0 | 113.6 | S247 L249 A301 V321 P326 R329 | S247-Y305 WeakPolarHBondContact O-CE2 3.44Å; L249-Y305 HydrophobicContact CD1-CD2 4.23Å; A301-Y305 HydrophobicContact CB-CD2 4.36Å; A301-Y305 WeakPolarHBondContact O-CD2 3.32Å; A301-Y305 PolarHBondContact O-N 2.93Å; Y305-V321 VanDerWaalsContact O-CG1 3.31Å; Y305-V321 WeakPolarHBondContact O-CG1 3.4Å; Y305-P326 HydrophobicContact CD1-CB 3.56Å; Y305-P326 HydrophobicContact CD1-CG 3.78Å; Y305-P326 HydrophobicContact CD2-CB 4.17Å; Y305-P326 HydrophobicContact CE1-CB 4.13Å; Y305-P326 HydrophobicContact CE1-CG 3.82Å; Y305-P326 HydrophobicContact CG-CB 3.58Å; Y305-P326 HydrophobicContact CG-CG 4.16Å; Y305-R329 PolarHBondContact O-NH1 3.26Å |
| 306 | V | 87.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -79.6 | -45.6 | -176.2 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | L249 V302 G308 L317 F318 L319 V321 R329 | L249-V306 HydrophobicContact CD2-CG2 4.43Å; V302-V306 HydrophobicContact CB-CB 4.5Å; V302-V306 HydrophobicContact CB-CG2 4.47Å; V302-V306 HydrophobicContact CG1-CB 4.05Å; V302-V306 HydrophobicContact CG1-CG1 4.47Å; V302-V306 HydrophobicContact CG1-CG2 4.44Å; V302-V306 HydrophobicContact CG2-CG2 4.27Å; V302-V306 WeakPolarHBondContact O-CA 3.35Å; V302-V306 WeakPolarHBondContact O-CB 3.48Å; V302-V306 PolarHBondContact O-N 3.23Å; V306-G308 PolarHBondContact O-N 2.92Å; V306-L317 VanDerWaalsContact O-O 3.14Å; V306-F318 HydrophobicContact CG1-CB 4.11Å; V306-F318 HydrophobicContact CG1-CD1 4.11Å; V306-L319 WeakPolarHBondContact CG1-O 3.34Å; V306-L319 PolarHBondContact O-N 2.89Å; V306-V321 HydrophobicContact CG2-CG2 4.12Å; V306-R329 PolarHBondContact O-NH1 3.2Å |
| 307 | S | 78.8 | Confident | 70.7 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 122.3 | 164.1 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | V302 N303 P309 L317 | V302-S307 PolarHBondContact O-N 2.73Å; V302-S307 PolarHBondContact O-OG 2.96Å; N303-S307 VanDerWaalsContact CA-OG 3.26Å; N303-S307 WeakPolarHBondContact CA-OG 3.27Å; N303-S307 PolarHBondContact O-OG 3.05Å; N303-S307 VanDerWaalsContact O-OG 3.04Å; S307-P309 WeakPolarHBondContact O-CD 3.29Å; S307-L317 WeakPolarHBondContact CA-O 3.47Å |
| 308 | G | 58 | Low | 70.4 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | trans | -66.1 | 122.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V306 S311 L317 | V306-G308 PolarHBondContact O-N 2.92Å; G308-S311 WeakPolarHBondContact CA-OG 3.49Å; G308-S311 PolarHBondContact O-OG 3.33Å; G308-L317 PolarHBondContact N-O 3.32Å; G308-L317 VanDerWaalsContact N-O 3.17Å | ||
| 309 | P | 44.1 | Very low | 70.1 | Confident | 103 Ų | 103 | 47.8 Ų | 47.8 | 67% | 0.669 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -79.6 | -16.3 | 167.5 | 31.9 | -34.9 | 0 | 0 | 0 | 113.1 | S307 | S307-P309 WeakPolarHBondContact O-CD 3.29Š|
| 310 | Q | 40.6 | Very low | 70 | Confident | 129 Ų | 129 | 46.7 Ų | 46.7 | 60% | 0.603 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -89.5 | -21 | 174.4 | -67.6 | -173.1 | 22.1 | 0 | 0 | 113.1 | A312 S1235 | Q310-A312 PolarHBondContact O-N 3.47Å; Q310-S1235 PolarHBondContact OE1-OG 3.4Å |
| 311 | S | 41 | Very low | 70 | Confident | 23 Ų | 23 | 41 Ų | 41 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | trans | -83.4 | 67.2 | 175.9 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | G308 E313 F314 | G308-S311 WeakPolarHBondContact CA-OG 3.49Å; G308-S311 PolarHBondContact O-OG 3.33Å; S311-E313 PolarHBondContact O-N 2.98Å; S311-F314 WeakPolarHBondContact CB-O 3.43Å; S311-F314 CarbonylContact O-C 2.84Å; S311-F314 WeakPolarHBondContact O-CA 3.13Å; S311-F314 PolarHBondContact O-N 3Å; S311-F314 PolarHBondContact OG-O 3.01Å | ||
| 312 | A | 34.2 | Very low | 70 | Confident | 97 Ų | 97 | 41.5 Ų | 41.5 | 80% | 0.802 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q310 | Q310-A312 PolarHBondContact O-N 3.47Š|
| 313 | E | 40.7 | Very low | 69.9 | Low | 158 Ų | 158 | 41.8 Ų | 41.8 | 74% | 0.738 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -23.5 | 170.9 | -64.7 | 178.4 | 123.3 | 0 | 0 | 113.2 | S311 | S311-E313 PolarHBondContact O-N 2.98Š|
| 314 | F | 55.1 | Low | 70 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | trans | -140.9 | 74.7 | -172.7 | -57.5 | -98.6 | 0 | 0 | 0 | 111.8 | S311 F316 L317 F377 I647 L651 | S311-F314 WeakPolarHBondContact CB-O 3.43Å; S311-F314 CarbonylContact O-C 2.84Å; S311-F314 WeakPolarHBondContact O-CA 3.13Å; S311-F314 PolarHBondContact O-N 3Å; S311-F314 PolarHBondContact OG-O 3.01Å; F314-F316 HydrophobicContact CB-CE1 4.19Å; F314-F316 HydrophobicContact CB-CZ 4.21Å; F314-F316 HydrophobicContact CD1-CE1 4.27Å; F314-F316 AromaticContact CD1-CE2 3.99Å; F314-F316 HydrophobicContact CD1-CE2 3.99Å; F314-F316 AromaticContact CD1-CZ 3.57Å; F314-F316 HydrophobicContact CD1-CZ 3.57Å; F314-F316 HydrophobicContact CE1-CZ 4.46Å; F314-F316 HydrophobicContact CG-CZ 4.31Å; F314-F316 PolarHBondContact O-N 3.19Å; F314-L317 HydrophobicContact CB-CD1 3.44Å; F314-L317 VanDerWaalsContact CB-CD1 3.44Å; F314-L317 HydrophobicContact CB-CG 3.73Å; F314-L317 HydrophobicContact CG-CD1 4.02Å; F314-L317 PolarHBondContact O-N 3.48Å; F314-F377 HydrophobicContact CE1-CE1 4.38Å; F314-F377 HydrophobicContact CE1-CZ 4.16Å; F314-I647 HydrophobicContact CE1-CG2 3.42Å; F314-I647 VanDerWaalsContact CE1-CG2 3.42Å; F314-I647 HydrophobicContact CZ-CG2 3.53Å; F314-L651 HydrophobicContact CE1-CD1 4.15Å; F314-L651 HydrophobicContact CZ-CD1 4.09Å | ||
| 315 | P | 52.5 | Low | 70.1 | Confident | 83 Ų | 83 | 42.6 Ų | 42.6 | 54% | 0.539 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 14.7 | -179.3 | 28.8 | -36.5 | 0 | 0 | 0 | 114.8 | ||
| 316 | F | 65.8 | Low | 69.9 | Low | 19 Ų | 19 | 41.4 Ų | 41.4 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 9.3 | -172 | 49.7 | -88.7 | 0 | 0 | 0 | 113.4 | F314 F318 V354 L358 V644 | F314-F316 HydrophobicContact CB-CE1 4.19Å; F314-F316 HydrophobicContact CB-CZ 4.21Å; F314-F316 HydrophobicContact CD1-CE1 4.27Å; F314-F316 AromaticContact CD1-CE2 3.99Å; F314-F316 HydrophobicContact CD1-CE2 3.99Å; F314-F316 AromaticContact CD1-CZ 3.57Å; F314-F316 HydrophobicContact CD1-CZ 3.57Å; F314-F316 HydrophobicContact CE1-CZ 4.46Å; F314-F316 HydrophobicContact CG-CZ 4.31Å; F314-F316 PolarHBondContact O-N 3.19Å; F316-F318 VanDerWaalsContact O-CD2 3.28Å; F316-F318 WeakPolarHBondContact O-CD2 3.5Å; F316-V354 HydrophobicContact CB-CB 4.45Å; F316-V354 HydrophobicContact CB-CG1 3.5Å; F316-V354 VanDerWaalsContact CB-CG1 3.5Å; F316-V354 HydrophobicContact CD1-CG1 3.3Å; F316-V354 HydrophobicContact CD2-CG1 3.7Å; F316-V354 HydrophobicContact CE1-CG1 3.82Å; F316-V354 HydrophobicContact CE2-CG1 4.17Å; F316-V354 HydrophobicContact CG-CG1 3.23Å; F316-V354 HydrophobicContact CZ-CG1 4.22Å; F316-L358 HydrophobicContact CD2-CB 4.25Å; F316-L358 HydrophobicContact CD2-CD2 3.68Å; F316-L358 HydrophobicContact CE2-CB 4.14Å; F316-L358 HydrophobicContact CE2-CD2 3.89Å; F316-L358 HydrophobicContact CE2-CG 4.4Å; F316-V644 HydrophobicContact CZ-CG1 4.46Å; F316-V644 HydrophobicContact CZ-CG2 4.46Å |
| 317 | L | 75.7 | Confident | 69.6 | Low | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | trans | -86.8 | 107.9 | 175.1 | -64.2 | 171.1 | 0 | 0 | 0 | 110.9 | V306 S307 G308 F314 L319 M334 L358 P375 | V306-L317 VanDerWaalsContact O-O 3.14Å; S307-L317 WeakPolarHBondContact CA-O 3.47Å; G308-L317 PolarHBondContact N-O 3.32Å; G308-L317 VanDerWaalsContact N-O 3.17Å; F314-L317 HydrophobicContact CB-CD1 3.44Å; F314-L317 VanDerWaalsContact CB-CD1 3.44Å; F314-L317 HydrophobicContact CB-CG 3.73Å; F314-L317 HydrophobicContact CG-CD1 4.02Å; F314-L317 PolarHBondContact O-N 3.48Å; L317-L319 HydrophobicContact CB-CD2 4.41Å; L317-L319 HydrophobicContact CB-CG 4.31Å; L317-L319 PolarHBondContact O-N 3.43Å; L317-M334 HydrophobicContact CD2-CE 3.66Å; L317-M334 HydrophobicContact CD2-SD 4.26Å; L317-L358 HydrophobicContact CD2-CD2 4.03Å; L317-P375 HydrophobicContact CD1-CB 3.63Å; L317-P375 HydrophobicContact CD1-CG 3.88Å; L317-P375 HydrophobicContact CD2-CB 4.29Å; L317-P375 HydrophobicContact CD2-CG 4.4Å | ||
| 318 | F | 85.5 | Confident | 69.7 | Low | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -90.7 | 83.1 | 178.2 | -70.5 | -94.2 | 0 | 0 | 0 | 110.4 | V268 V302 V306 F316 W341 L355 | V268-F318 HydrophobicContact CG1-CD1 4.49Å; V268-F318 HydrophobicContact CG2-CB 3.78Å; V268-F318 HydrophobicContact CG2-CD1 4.31Å; V268-F318 HydrophobicContact CG2-CG 4.28Å; V302-F318 HydrophobicContact CG1-CD1 3.92Å; V302-F318 HydrophobicContact CG1-CE1 3.85Å; V306-F318 HydrophobicContact CG1-CB 4.11Å; V306-F318 HydrophobicContact CG1-CD1 4.11Å; F316-F318 VanDerWaalsContact O-CD2 3.28Å; F316-F318 WeakPolarHBondContact O-CD2 3.5Å; F318-W341 AromaticContact CD1-NE1 3.97Å; F318-W341 AromaticContact CE1-NE1 3.5Å; F318-W341 AromaticContact CZ-NE1 3.79Å; F318-L355 HydrophobicContact CD2-CD1 4.13Å; F318-L355 HydrophobicContact CD2-CD2 3.81Å; F318-L355 HydrophobicContact CE2-CD2 3.84Å |
| 319 | L | 86.5 | Confident | 71 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | trans | -102.5 | 136.2 | 177 | -38.3 | 175.2 | 0 | 0 | 0 | 108.6 | V306 L317 R329 R331 T332 M334 P375 | V306-L319 WeakPolarHBondContact CG1-O 3.34Å; V306-L319 PolarHBondContact O-N 2.89Å; L317-L319 HydrophobicContact CB-CD2 4.41Å; L317-L319 HydrophobicContact CB-CG 4.31Å; L317-L319 PolarHBondContact O-N 3.43Å; L319-R329 PolarHBondContact O-NH1 3.42Å; L319-R331 WeakPolarHBondContact CB-O 3.44Å; L319-T332 HydrophobicContact CD1-CG2 3.75Å; L319-M334 HydrophobicContact CD2-CE 3.93Å; L319-M334 HydrophobicContact CD2-CG 3.49Å; L319-M334 VanDerWaalsContact CD2-CG 3.49Å; L319-M334 HydrophobicContact CD2-SD 3.79Å; L319-P375 HydrophobicContact CD1-CG 3.69Å; L319-P375 HydrophobicContact CD2-CG 3.98Å; L319-P375 HydrophobicContact CG-CG 4.46Å | ||
| 320 | D | 90.7 | Very high | 72.9 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.032 | 25% | 0.25 | C | C | . | . | trans | -52.5 | 161.7 | -178.4 | -55.3 | -2.9 | 0 | 0 | 0 | 112.7 | R252 S266 G267 R329 A330 R331 | R252-D320 IonicContact CZ-OD2 3.73Å; R252-D320 IonicContact NH1-OD2 2.75Å; R252-D320 PolarHBondContact NH1-OD2 3.12Å; R252-D320 IonicContact NH2-OD1 3.34Å; R252-D320 IonicContact NH2-OD2 3.86Å; R252-D320 PolarHBondContact NH2-OD2 2.86Å; S266-D320 CarbonylContact O-C 3.51Å; S266-D320 WeakPolarHBondContact O-CA 3.34Å; S266-D320 VanDerWaalsContact O-CB 3.32Å; S266-D320 WeakPolarHBondContact O-CB 3.48Å; G267-D320 WeakPolarHBondContact CA-OD1 3.49Å; D320-R329 CarbonylContact O-C 3.53Å; D320-R329 WeakPolarHBondContact O-CA 3.39Å; D320-R329 VanDerWaalsContact O-CD 3.3Å; D320-R329 WeakPolarHBondContact O-CD 3.37Å; D320-A330 HydrophobicContact CB-CB 3.65Å; D320-A330 PolarHBondContact O-N 3.09Å; D320-R331 HydrophobicContact CB-CB 4.13Å; D320-R331 HydrophobicContact CB-CG 4.28Å; D320-R331 VanDerWaalsContact OD2-CD 3.27Å; D320-R331 WeakPolarHBondContact OD2-CD 3.49Å; D320-R331 WeakPolarHBondContact OD2-CG 3.16Å; D320-R331 IonicContact OD2-NE 2.77Å | ||
| 321 | V | 90.5 | Very high | 75 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.3 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 113 | L249 S266 Y305 V306 M323 P326 Q328 R329 A330 | L249-V321 HydrophobicContact CD1-CG2 3.37Å; S266-V321 PolarHBondContact N-O 3.36Å; S266-V321 PolarHBondContact O-N 3.16Å; Y305-V321 VanDerWaalsContact O-CG1 3.31Å; Y305-V321 WeakPolarHBondContact O-CG1 3.4Å; V306-V321 HydrophobicContact CG2-CG2 4.12Å; V321-M323 PolarHBondContact O-N 3.01Å; V321-M323 VanDerWaalsContact O-N 3.17Å; V321-P326 WeakPolarHBondContact CG1-O 3.49Å; V321-P326 HydrophobicContact CG2-CB 4.18Å; V321-Q328 WeakPolarHBondContact CA-O 3.2Å; V321-Q328 WeakPolarHBondContact CB-O 3.44Å; V321-R329 VanDerWaalsContact CA-C 3.47Å; V321-A330 VanDerWaalsContact CA-N 3.33Å; V321-A330 WeakPolarHBondContact O-CB 3.35Å |
| 322 | H | 90.5 | Very high | 77.1 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 106 | 169.2 | -83.1 | -56.5 | 0 | 0 | 0 | 106.4 | H324 R325 Q328 R329 H667 K668 | H322-H324 VanDerWaalsContact C-N 3.3Å; H322-H324 PolarHBondContact O-N 2.95Å; H322-R325 CarbonylContact O-C 3.54Å; H322-R325 WeakPolarHBondContact O-CA 3.36Å; H322-R325 PolarHBondContact O-N 2.99Å; H322-Q328 PolarHBondContact N-O 3.03Å; H322-R329 PolarHBondContact CD2-O 2.78Å; H322-R329 VanDerWaalsContact CD2-O 3.29Å; H322-R329 VanDerWaalsContact CG-O 3.3Å; H322-R329 PolarHBondContact N-O 2.84Å; H322-H667 PolarHBondContact CD2-O 2.84Å; H322-H667 WeakPolarHBondContact CE1-CB 3.34Å; H322-H667 VanDerWaalsContact CG-C 3.44Å; H322-H667 WeakPolarHBondContact NE2-CB 3.39Å; H322-H667 PolarHBondContact NE2-O 3.46Å; H322-K668 HydrophobicContact CB-CB 3.78Å; H322-K668 VanDerWaalsContact CB-O 3.25Å; H322-K668 WeakPolarHBondContact CB-O 3.39Å; H322-K668 WeakPolarHBondContact CD2-CA 3Å; H322-K668 WeakPolarHBondContact CD2-CB 3.39Å; H322-K668 WeakPolarHBondContact CD2-CD 3.37Å; H322-K668 WeakPolarHBondContact CD2-CG 3.23Å; H322-K668 PolarHBondContact CD2-N 2.87Å; H322-K668 WeakPolarHBondContact CE1-CA 3.04Å; H322-K668 PolarHBondContact CE1-N 3.33Å; H322-K668 WeakPolarHBondContact ND1-CA 3.13Å; H322-K668 PolarHBondContact ND1-N 2.88Å; H322-K668 PolarHBondContact ND1-O 2.96Å; H322-K668 WeakPolarHBondContact NE2-CA 2.96Å; H322-K668 WeakPolarHBondContact NE2-CB 3.32Å; H322-K668 WeakPolarHBondContact NE2-CD 3.39Å; H322-K668 WeakPolarHBondContact NE2-CG 3.37Å; H322-K668 PolarHBondContact NE2-N 2.77Å |
| 323 | M | 90.7 | Very high | 79.7 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -35.8 | -156.1 | 81.4 | 163.9 | 85.9 | 0 | 0 | 116.6 | N244 S247 L249 G251 W261 Q264 V321 | N244-M323 HydrophobicContact CB-CG 4.25Å; N244-M323 HydrophobicContact CB-SD 3.89Å; S247-M323 WeakPolarHBondContact CB-O 3.16Å; S247-M323 PolarHBondContact OG-O 3.04Å; L249-M323 HydrophobicContact CB-CB 4.25Å; G251-M323 VanDerWaalsContact N-CE 3.28Å; W261-M323 HydrophobicContact CB-CE 3.83Å; W261-M323 HydrophobicContact CD2-CE 3.71Å; W261-M323 HydrophobicContact CE3-CE 4.35Å; W261-M323 HydrophobicContact CG-CE 3.44Å; W261-M323 VanDerWaalsContact CG-CE 3.44Å; Q264-M323 HydrophobicContact CB-CE 3.95Å; Q264-M323 HydrophobicContact CB-CG 4.39Å; Q264-M323 HydrophobicContact CG-CE 4.11Å; Q264-M323 WeakPolarHBondContact O-CB 3.48Å; Q264-M323 PolarHBondContact O-N 3.29Å; V321-M323 PolarHBondContact O-N 3.01Å; V321-M323 VanDerWaalsContact O-N 3.17Å |
| 324 | H | 89.3 | Confident | 82 | Confident | 42 Ų | 42 | 29.1 Ų | 29.1 | 19% | 0.194 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -0.2 | -175.6 | 51.1 | -78.9 | 0 | 0 | 0 | 112.3 | N244 Q264 H322 K668 Y669 | N244-H324 VanDerWaalsContact ND2-CB 3.34Å; N244-H324 WeakPolarHBondContact ND2-CB 3.1Å; Q264-H324 PolarHBondContact OE1-CE1 3.22Å; H322-H324 VanDerWaalsContact C-N 3.3Å; H322-H324 PolarHBondContact O-N 2.95Å; H324-K668 PolarHBondContact CE1-O 2.88Å; H324-K668 PolarHBondContact NE2-O 2.23Å; H324-Y669 PolarHBondContact NE2-O 3.27Å |
| 325 | R | 87.2 | Confident | 83.7 | Confident | 117 Ų | 117 | 28.1 Ų | 28.1 | 44% | 0.442 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -135.1 | 59.9 | 167.8 | -63.2 | -177.6 | -170.6 | 168.5 | 2.3 | 108.4 | H322 A327 Q328 | H322-R325 CarbonylContact O-C 3.54Å; H322-R325 WeakPolarHBondContact O-CA 3.36Å; H322-R325 PolarHBondContact O-N 2.99Å; R325-A327 PolarHBondContact O-N 3.14Å; R325-Q328 HydrophobicContact CB-CB 4.44Å; R325-Q328 HydrophobicContact CB-CG 4.37Å; R325-Q328 WeakPolarHBondContact O-CA 3.36Å; R325-Q328 WeakPolarHBondContact O-CB 3.27Å; R325-Q328 PolarHBondContact O-N 3.15Å |
| 326 | P | 83.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 24.3 Ų | 24.3 | 8% | 0.078 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12 | -167.3 | 29.1 | -39.8 | 0 | 0 | 0 | 115.2 | L249 Y305 V321 Q328 | L249-P326 HydrophobicContact CD1-CB 4.4Å; Y305-P326 HydrophobicContact CD1-CB 3.56Å; Y305-P326 HydrophobicContact CD1-CG 3.78Å; Y305-P326 HydrophobicContact CD2-CB 4.17Å; Y305-P326 HydrophobicContact CE1-CB 4.13Å; Y305-P326 HydrophobicContact CE1-CG 3.82Å; Y305-P326 HydrophobicContact CG-CB 3.58Å; Y305-P326 HydrophobicContact CG-CG 4.16Å; V321-P326 WeakPolarHBondContact CG1-O 3.49Å; V321-P326 HydrophobicContact CG2-CB 4.18Å; P326-Q328 PolarHBondContact O-N 2.62Å |
| 327 | A | 80 | Confident | 87.1 | Confident | 87 Ų | 87 | 25.4 Ų | 25.4 | 72% | 0.719 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R325 | R325-A327 PolarHBondContact O-N 3.14Š|
| 328 | Q | 82.1 | Confident | 88 | Confident | 83 Ų | 83 | 25.3 Ų | 25.3 | 39% | 0.388 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -115.2 | 133.2 | 175 | -56.5 | 178.6 | -30.5 | 0 | 0 | 107.2 | V321 H322 R325 P326 | V321-Q328 WeakPolarHBondContact CA-O 3.2Å; V321-Q328 WeakPolarHBondContact CB-O 3.44Å; H322-Q328 PolarHBondContact N-O 3.03Å; R325-Q328 HydrophobicContact CB-CB 4.44Å; R325-Q328 HydrophobicContact CB-CG 4.37Å; R325-Q328 WeakPolarHBondContact O-CA 3.36Å; R325-Q328 WeakPolarHBondContact O-CB 3.27Å; R325-Q328 PolarHBondContact O-N 3.15Å; P326-Q328 PolarHBondContact O-N 2.62Å |
| 329 | R | 85.1 | Confident | 88.6 | Confident | 41 Ų | 41 | 25 Ų | 25 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 174.6 | 179.9 | -69.8 | -60.7 | -168 | -176.8 | 8.2 | 112.1 | Y305 V306 L319 D320 V321 H322 T332 H666 H667 K668 | Y305-R329 PolarHBondContact O-NH1 3.26Å; V306-R329 PolarHBondContact O-NH1 3.2Å; L319-R329 PolarHBondContact O-NH1 3.42Å; D320-R329 CarbonylContact O-C 3.53Å; D320-R329 WeakPolarHBondContact O-CA 3.39Å; D320-R329 VanDerWaalsContact O-CD 3.3Å; D320-R329 WeakPolarHBondContact O-CD 3.37Å; V321-R329 VanDerWaalsContact CA-C 3.47Å; H322-R329 PolarHBondContact CD2-O 2.78Å; H322-R329 VanDerWaalsContact CD2-O 3.29Å; H322-R329 VanDerWaalsContact CG-O 3.3Å; H322-R329 PolarHBondContact N-O 2.84Å; R329-T332 HydrophobicContact CB-CG2 4.24Å; R329-T332 HydrophobicContact CG-CG2 3.9Å; R329-H666 CarbonylContact C-O 3.45Å; R329-H666 HydrophobicContact CB-CB 3.6Å; R329-H666 VanDerWaalsContact CB-O 3.27Å; R329-H666 WeakPolarHBondContact CB-O 3.37Å; R329-H666 HydrophobicContact CG-CB 4.37Å; R329-H667 CarbonylContact O-C 3Å; R329-K668 PolarHBondContact O-N 2.99Å |
| 330 | A | 84.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -129.9 | -19.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E265 D320 V321 H666 H667 | E265-A330 HydrophobicContact CB-CB 3.7Å; E265-A330 HydrophobicContact CG-CB 3.86Å; D320-A330 HydrophobicContact CB-CB 3.65Å; D320-A330 PolarHBondContact O-N 3.09Å; V321-A330 VanDerWaalsContact CA-N 3.33Å; V321-A330 WeakPolarHBondContact O-CB 3.35Å; A330-H666 CarbonylContact C-O 3.5Å; A330-H666 WeakPolarHBondContact CA-O 3.31Å; A330-H666 PolarHBondContact N-O 3.05Å; A330-H667 WeakPolarHBondContact O-CA 3.43Å |
| 331 | R | 84.5 | Confident | 89.3 | Confident | 23 Ų | 23 | 24.7 Ų | 24.7 | 9% | 0.087 | 13% | 0.127 | C | C | . | . | trans | -144.2 | 165 | 161.4 | -64.1 | -177.2 | -177.9 | 174.9 | 0.6 | 108 | L319 D320 F333 D335 P665 H666 | L319-R331 WeakPolarHBondContact CB-O 3.44Å; D320-R331 HydrophobicContact CB-CB 4.13Å; D320-R331 HydrophobicContact CB-CG 4.28Å; D320-R331 VanDerWaalsContact OD2-CD 3.27Å; D320-R331 WeakPolarHBondContact OD2-CD 3.49Å; D320-R331 WeakPolarHBondContact OD2-CG 3.16Å; D320-R331 IonicContact OD2-NE 2.77Å; R331-F333 HydrophobicContact CG-CZ 4.5Å; R331-D335 IonicContact NH1-OD2 3.65Å; R331-D335 PolarHBondContact NH1-OD2 3.14Å; R331-P665 HydrophobicContact CB-CB 4.47Å; R331-H666 PolarHBondContact N-O 3.43Å | ||
| 332 | T | 84.3 | Confident | 89.5 | Confident | 18 Ų | 18 | 24.6 Ų | 24.6 | 11% | 0.11 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -133.5 | 3.4 | 164.1 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | L319 R329 P375 P664 P665 H666 | L319-T332 HydrophobicContact CD1-CG2 3.75Å; R329-T332 HydrophobicContact CB-CG2 4.24Å; R329-T332 HydrophobicContact CG-CG2 3.9Å; T332-P375 WeakPolarHBondContact O-CD 3.38Å; T332-P664 CarbonylContact C-O 3.6Å; T332-P664 WeakPolarHBondContact CB-O 3.45Å; T332-P664 VanDerWaalsContact OG1-C 3.26Å; T332-P664 PolarHBondContact OG1-O 2.76Å; T332-P665 VanDerWaalsContact N-CA 3.3Å; T332-P665 WeakPolarHBondContact OG1-CA 3.46Å; T332-H666 HydrophobicContact CG2-CB 3.86Å; T332-H666 PolarHBondContact OG1-N 2.67Å |
| 333 | F | 88.1 | Confident | 89.7 | Confident | 13 Ų | 13 | 24.3 Ų | 24.3 | 6% | 0.057 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -85.9 | 165.4 | 148.9 | 72 | -106.2 | 0 | 0 | 0 | 109.9 | R331 A372 F373 T374 H380 W381 P664 P665 | R331-F333 HydrophobicContact CG-CZ 4.5Å; F333-A372 HydrophobicContact CD2-CB 3.87Å; F333-A372 HydrophobicContact CE2-CB 4.3Å; F333-F373 CarbonylContact C-O 3.03Å; F333-F373 VanDerWaalsContact CA-O 3.32Å; F333-F373 WeakPolarHBondContact CA-O 3.46Å; F333-F373 WeakPolarHBondContact CB-O 3.44Å; F333-T374 HydrophobicContact CB-CG2 3.86Å; F333-H380 HydrophobicContact CB-CB 4.11Å; F333-H380 AromaticContact CD1-CD2 3.47Å; F333-H380 VanDerWaalsContact CD1-CD2 3.47Å; F333-H380 WeakPolarHBondContact CD1-CD2 3.43Å; F333-H380 AromaticContact CD1-CE1 3.78Å; F333-H380 AromaticContact CD1-NE2 3.26Å; F333-H380 VanDerWaalsContact CD1-NE2 3.26Å; F333-H380 WeakPolarHBondContact CD1-NE2 3.47Å; F333-H380 AromaticContact CE1-CD2 3.91Å; F333-H380 AromaticContact CE1-NE2 3.54Å; F333-H380 AromaticContact CG-CD2 3.66Å; F333-H380 AromaticContact CG-NE2 3.96Å; F333-W381 HydrophobicContact CE1-CZ2 4.23Å; F333-W381 AromaticContact CE2-CH2 3.84Å; F333-W381 HydrophobicContact CE2-CH2 3.84Å; F333-W381 HydrophobicContact CE2-CZ2 4.19Å; F333-W381 HydrophobicContact CE2-CZ3 4.03Å; F333-W381 AromaticContact CZ-CH2 3.56Å; F333-W381 HydrophobicContact CZ-CH2 3.56Å; F333-W381 AromaticContact CZ-CZ2 3.63Å; F333-W381 HydrophobicContact CZ-CZ2 3.63Å; F333-W381 HydrophobicContact CZ-CZ3 4.23Å; F333-P664 PolarHBondContact N-O 3.15Å; F333-P665 HydrophobicContact CD1-CB 3.75Å; F333-P665 HydrophobicContact CD1-CG 4.08Å; F333-P665 HydrophobicContact CE1-CB 4.07Å; F333-P665 HydrophobicContact CE1-CG 4.25Å |
| 334 | M | 89.9 | Confident | 89.7 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.4 | 176.1 | -77.9 | 174.7 | -73.4 | 0 | 0 | 107.5 | L317 L319 L338 A372 F373 T374 | L317-M334 HydrophobicContact CD2-CE 3.66Å; L317-M334 HydrophobicContact CD2-SD 4.26Å; L319-M334 HydrophobicContact CD2-CE 3.93Å; L319-M334 HydrophobicContact CD2-CG 3.49Å; L319-M334 VanDerWaalsContact CD2-CG 3.49Å; L319-M334 HydrophobicContact CD2-SD 3.79Å; M334-L338 HydrophobicContact CB-CD2 3.54Å; M334-L338 HydrophobicContact CG-CD2 3.6Å; M334-L338 HydrophobicContact SD-CD2 4.12Å; M334-A372 CarbonylContact O-C 3.53Å; M334-A372 WeakPolarHBondContact O-CA 3.44Å; M334-A372 WeakPolarHBondContact O-CB 3.48Å; M334-F373 HydrophobicContact CB-CD2 4.12Å; M334-F373 HydrophobicContact CB-CE1 4.33Å; M334-F373 HydrophobicContact CB-CE2 3.59Å; M334-F373 HydrophobicContact CB-CZ 3.69Å; M334-F373 HydrophobicContact CE-CD2 3.84Å; M334-F373 HydrophobicContact CE-CE2 3.5Å; M334-F373 HydrophobicContact CG-CE2 4.3Å; M334-F373 PolarHBondContact N-O 3.18Å; M334-F373 PolarHBondContact O-N 3.42Å; M334-F373 HydrophobicContact SD-CE2 3.87Å; M334-F373 HydrophobicContact SD-CZ 4.47Å; M334-T374 VanDerWaalsContact CE-C 3.41Å |
| 335 | D | 91.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 151 | 173.3 | 46.8 | 74.5 | 0 | 0 | 0 | 111.7 | G269 A270 R331 L337 L338 E371 | G269-D335 WeakPolarHBondContact CA-OD1 3.23Å; A270-D335 PolarHBondContact N-OD1 3.27Å; R331-D335 IonicContact NH1-OD2 3.65Å; R331-D335 PolarHBondContact NH1-OD2 3.14Å; D335-L337 PolarHBondContact O-N 2.86Å; D335-L338 WeakPolarHBondContact O-CG 3.31Å; D335-L338 PolarHBondContact O-N 2.86Å; D335-L338 VanDerWaalsContact O-N 3.14Å; D335-E371 CarbonylContact C-O 3.56Å; D335-E371 VanDerWaalsContact CA-O 3.29Å; D335-E371 WeakPolarHBondContact CA-O 3.48Å |
| 336 | A | 94.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -59.7 | -31.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L338 A339 L369 E371 | A336-L338 PolarHBondContact O-N 3.45Å; A336-A339 WeakPolarHBondContact O-CB 3.4Å; A336-A339 PolarHBondContact O-N 3.29Å; A336-L369 HydrophobicContact CB-CD2 4.11Å; A336-E371 PolarHBondContact N-O 2.87Å |
| 337 | L | 95 | Very high | 89.5 | Confident | 41 Ų | 41 | 23.4 Ų | 23.4 | 22% | 0.215 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -51.9 | -29.5 | 175.7 | -71.6 | 174.9 | 0 | 0 | 0 | 113 | A270 D335 A339 F340 E389 | A270-L337 HydrophobicContact CB-CD1 3.81Å; D335-L337 PolarHBondContact O-N 2.86Å; L337-A339 PolarHBondContact O-N 3.35Å; L337-F340 WeakPolarHBondContact O-CD1 3.26Å; L337-E389 WeakPolarHBondContact CD2-OE1 3.31Å |
| 338 | L | 95 | Very high | 89.7 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -64.4 | -12 | 176.6 | 85 | 78 | 0 | 0 | 0 | 113.9 | V268 M334 D335 A336 F340 W341 L355 L359 | V268-L338 HydrophobicContact CG2-CB 4.05Å; M334-L338 HydrophobicContact CB-CD2 3.54Å; M334-L338 HydrophobicContact CG-CD2 3.6Å; M334-L338 HydrophobicContact SD-CD2 4.12Å; D335-L338 WeakPolarHBondContact O-CG 3.31Å; D335-L338 PolarHBondContact O-N 2.86Å; D335-L338 VanDerWaalsContact O-N 3.14Å; A336-L338 PolarHBondContact O-N 3.45Å; L338-F340 PolarHBondContact O-N 3.49Å; L338-F340 VanDerWaalsContact O-N 3.13Å; L338-W341 WeakPolarHBondContact O-CB 3.36Å; L338-W341 PolarHBondContact O-N 3.35Å; L338-L355 HydrophobicContact CD1-CD1 4.14Å; L338-L355 HydrophobicContact CD1-CD2 4.33Å; L338-L359 HydrophobicContact CD1-CD1 4.37Å; L338-L359 HydrophobicContact CD1-CD2 4.22Å |
| 339 | A | 96.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -67.3 | -8.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A336 L337 W341 P342 L359 L369 E389 L390 S393 | A336-A339 WeakPolarHBondContact O-CB 3.4Å; A336-A339 PolarHBondContact O-N 3.29Å; L337-A339 PolarHBondContact O-N 3.35Å; A339-W341 VanDerWaalsContact C-N 3.32Å; A339-P342 WeakPolarHBondContact O-CD 3.17Å; A339-L359 HydrophobicContact CB-CD1 3.83Å; A339-L359 HydrophobicContact CB-CD2 4.22Å; A339-L369 HydrophobicContact CB-CD2 4.17Å; A339-E389 CarbonylContact C-O 3.53Å; A339-E389 HydrophobicContact CB-CB 4.09Å; A339-E389 CarbonylContact O-C 3.56Å; A339-L390 HydrophobicContact CB-CB 4.12Å; A339-S393 VanDerWaalsContact O-CB 3.25Å; A339-S393 WeakPolarHBondContact O-CB 3.43Å; A339-S393 PolarHBondContact O-OG 3.13Å |
| 340 | F | 97.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -70.5 | -25 | 165.9 | 82 | -46.9 | 0 | 0 | 0 | 113.1 | V268 D273 E277 L337 L338 G343 I344 E389 S393 | V268-F340 VanDerWaalsContact O-CE1 3.24Å; V268-F340 WeakPolarHBondContact O-CE1 3.28Å; D273-F340 HydrophobicContact CB-CE1 4.17Å; D273-F340 HydrophobicContact CB-CE2 4.29Å; D273-F340 HydrophobicContact CB-CZ 3.85Å; D273-F340 WeakPolarHBondContact O-CE2 3.44Å; D273-F340 WeakPolarHBondContact O-CZ 3.39Å; E277-F340 HydrophobicContact CB-CE2 4.09Å; L337-F340 WeakPolarHBondContact O-CD1 3.26Å; L338-F340 PolarHBondContact O-N 3.49Å; L338-F340 VanDerWaalsContact O-N 3.13Å; F340-G343 WeakPolarHBondContact O-CA 3.48Å; F340-G343 PolarHBondContact O-N 3.27Å; F340-I344 HydrophobicContact CD2-CD1 3.58Å; F340-I344 HydrophobicContact CD2-CG1 4.47Å; F340-I344 HydrophobicContact CE2-CD1 3.32Å; F340-I344 HydrophobicContact CZ-CD1 4.07Å; F340-I344 PolarHBondContact O-N 3.27Å; F340-E389 HydrophobicContact CB-CB 4Å; F340-E389 HydrophobicContact CB-CG 4.44Å; F340-S393 PolarHBondContact O-OG 2.95Å |
| 341 | W | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | -168.4 | -167.1 | -110.6 | 0 | 0 | 0 | 113.8 | V268 Y276 Y299 V302 F318 L338 A339 G343 I344 Q345 L355 | V268-W341 HydrophobicContact CB-CD2 4.1Å; V268-W341 HydrophobicContact CB-CE3 4.1Å; V268-W341 HydrophobicContact CB-CG 4.45Å; V268-W341 HydrophobicContact CB-CZ3 4.5Å; V268-W341 HydrophobicContact CG1-CD2 3.78Å; V268-W341 HydrophobicContact CG1-CE3 3.87Å; V268-W341 HydrophobicContact CG1-CG 4.45Å; V268-W341 HydrophobicContact CG1-CH2 3.89Å; V268-W341 HydrophobicContact CG1-CZ2 3.8Å; V268-W341 HydrophobicContact CG1-CZ3 3.92Å; Y276-W341 HydrophobicContact CD2-CH2 4.12Å; Y276-W341 AromaticContact CD2-CZ3 3.84Å; Y276-W341 HydrophobicContact CD2-CZ3 3.84Å; Y276-W341 HydrophobicContact CG-CH2 4.33Å; Y276-W341 HydrophobicContact CG-CZ3 4.14Å; Y299-W341 HydrophobicContact CD2-CH2 4.19Å; Y299-W341 AromaticContact CD2-CZ2 3.78Å; Y299-W341 HydrophobicContact CD2-CZ2 3.78Å; Y299-W341 HydrophobicContact CE2-CZ2 4.07Å; V302-W341 HydrophobicContact CB-CZ2 4.28Å; V302-W341 HydrophobicContact CG1-CH2 4.28Å; V302-W341 HydrophobicContact CG1-CZ2 3.59Å; F318-W341 AromaticContact CD1-NE1 3.97Å; F318-W341 AromaticContact CE1-NE1 3.5Å; F318-W341 AromaticContact CZ-NE1 3.79Å; L338-W341 WeakPolarHBondContact O-CB 3.36Å; L338-W341 PolarHBondContact O-N 3.35Å; A339-W341 VanDerWaalsContact C-N 3.32Å; W341-G343 VanDerWaalsContact C-N 3.26Å; W341-G343 PolarHBondContact O-N 2.7Å; W341-I344 HydrophobicContact CE3-CD1 4.12Å; W341-I344 HydrophobicContact CE3-CG2 4.44Å; W341-I344 HydrophobicContact CZ3-CD1 4.33Å; W341-I344 HydrophobicContact CZ3-CG2 4.38Å; W341-I344 PolarHBondContact O-N 3.1Å; W341-Q345 VanDerWaalsContact CD1-CD 3.42Å; W341-Q345 HydrophobicContact CG-CG 4.42Å; W341-Q345 VanDerWaalsContact NE1-NE2 3.16Å; W341-Q345 WeakPolarHBondContact O-CB 3.49Å; W341-Q345 VanDerWaalsContact O-CG 3.25Å; W341-Q345 WeakPolarHBondContact O-CG 3.27Å; W341-Q345 PolarHBondContact O-N 3.38Å; W341-L355 HydrophobicContact CB-CD2 4.2Å; W341-L355 HydrophobicContact CG-CD2 4.41Å |
| 342 | P | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.4 | -37 | 169 | -23.6 | 32 | 0 | 0 | 0 | 114.2 | A339 Q345 V346 A352 L355 H356 L359 S393 L397 | A339-P342 WeakPolarHBondContact O-CD 3.17Å; P342-Q345 CarbonylContact O-C 3.43Å; P342-Q345 WeakPolarHBondContact O-CA 3.06Å; P342-Q345 PolarHBondContact O-N 2.81Å; P342-Q345 VanDerWaalsContact O-N 3.14Å; P342-V346 PolarHBondContact O-N 2.85Å; P342-A352 HydrophobicContact CB-CB 4.36Å; P342-A352 WeakPolarHBondContact O-CB 3.24Å; P342-L355 HydrophobicContact CG-CB 4.1Å; P342-L355 HydrophobicContact CG-CD2 3.84Å; P342-L355 HydrophobicContact CG-CG 3.78Å; P342-H356 HydrophobicContact CB-CB 3.97Å; P342-H356 HydrophobicContact CG-CB 4.14Å; P342-L359 HydrophobicContact CG-CD1 3.96Å; P342-S393 WeakPolarHBondContact CB-OG 3.25Å; P342-S393 WeakPolarHBondContact CD-OG 3.47Å; P342-L397 HydrophobicContact CB-CD1 4.08Å |
| 343 | G | 94.1 | Very high | 90 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F340 W341 V346 S393 | F340-G343 WeakPolarHBondContact O-CA 3.48Å; F340-G343 PolarHBondContact O-N 3.27Å; W341-G343 VanDerWaalsContact C-N 3.26Å; W341-G343 PolarHBondContact O-N 2.7Å; G343-V346 WeakPolarHBondContact O-CG1 3.41Å; G343-V346 WeakPolarHBondContact O-CG2 3.27Å; G343-S393 PolarHBondContact N-OG 3.1Å |
| 344 | I | 91.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 26.7 Ų | 26.7 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | 169.2 | -69.7 | 174.5 | 0 | 0 | 0 | 111.2 | E277 L280 F295 F340 W341 V346 | E277-I344 HydrophobicContact CB-CD1 3.76Å; E277-I344 HydrophobicContact CG-CD1 4.01Å; L280-I344 HydrophobicContact CD2-CG2 4.06Å; F295-I344 HydrophobicContact CE2-CG2 3.56Å; F295-I344 HydrophobicContact CZ-CG2 3.46Å; F295-I344 VanDerWaalsContact CZ-CG2 3.46Å; F340-I344 HydrophobicContact CD2-CD1 3.58Å; F340-I344 HydrophobicContact CD2-CG1 4.47Å; F340-I344 HydrophobicContact CE2-CD1 3.32Å; F340-I344 HydrophobicContact CZ-CD1 4.07Å; F340-I344 PolarHBondContact O-N 3.27Å; W341-I344 HydrophobicContact CE3-CD1 4.12Å; W341-I344 HydrophobicContact CE3-CG2 4.44Å; W341-I344 HydrophobicContact CZ3-CD1 4.33Å; W341-I344 HydrophobicContact CZ3-CG2 4.38Å; W341-I344 PolarHBondContact O-N 3.1Å; I344-V346 PolarHBondContact O-N 3Å |
| 345 | Q | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -74.3 | 2.8 | -179.3 | -74 | -174.2 | -34.9 | 0 | 0 | 114.9 | Y299 W341 P342 S347 D348 A352 | Y299-Q345 HydrophobicContact CE2-CG 3.85Å; W341-Q345 VanDerWaalsContact CD1-CD 3.42Å; W341-Q345 HydrophobicContact CG-CG 4.42Å; W341-Q345 VanDerWaalsContact NE1-NE2 3.16Å; W341-Q345 WeakPolarHBondContact O-CB 3.49Å; W341-Q345 VanDerWaalsContact O-CG 3.25Å; W341-Q345 WeakPolarHBondContact O-CG 3.27Å; W341-Q345 PolarHBondContact O-N 3.38Å; P342-Q345 CarbonylContact O-C 3.43Å; P342-Q345 WeakPolarHBondContact O-CA 3.06Å; P342-Q345 PolarHBondContact O-N 2.81Å; P342-Q345 VanDerWaalsContact O-N 3.14Å; Q345-S347 PolarHBondContact O-N 3.01Å; Q345-D348 CarbonylContact O-C 3.52Å; Q345-D348 WeakPolarHBondContact O-CA 3.41Å; Q345-D348 PolarHBondContact O-N 3.32Å; Q345-D348 VanDerWaalsContact O-O 3.09Å; Q345-A352 HydrophobicContact CB-CB 3.67Å |
| 346 | V | 87 | Confident | 90 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 28% | 0.279 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -57.4 | -14.3 | -178.6 | -66.3 | 0 | 0 | 0 | 0 | 115.1 | P342 G343 I344 V349 L396 L397 A400 | P342-V346 PolarHBondContact O-N 2.85Å; G343-V346 WeakPolarHBondContact O-CG1 3.41Å; G343-V346 WeakPolarHBondContact O-CG2 3.27Å; I344-V346 PolarHBondContact O-N 3Å; V346-V349 WeakPolarHBondContact O-CG2 3.47Å; V346-L396 HydrophobicContact CG1-CB 4.24Å; V346-L397 HydrophobicContact CG1-CD2 4.24Å; V346-L397 HydrophobicContact CG1-CG 4.31Å; V346-A400 HydrophobicContact CB-CB 3.94Å; V346-A400 HydrophobicContact CG1-CB 4.03Å |
| 347 | S | 76.1 | Confident | 89.8 | Confident | 99 Ų | 99 | 26.1 Ų | 26.1 | 69% | 0.692 | 14% | 0.138 | S | C | * | . | G | 310 helix | trans | -75.2 | -31.2 | 169.3 | 53.7 | 0 | 0 | 0 | 0 | 114 | Q345 | Q345-S347 PolarHBondContact O-N 3.01Š|
| 348 | D | 84.7 | Confident | 89.5 | Confident | 51 Ų | 51 | 24.1 Ų | 24.1 | 27% | 0.273 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -108.3 | 73.2 | 163.4 | -171.5 | -14.3 | 0 | 0 | 0 | 108.8 | Q345 K350 R351 A352 | Q345-D348 CarbonylContact O-C 3.52Å; Q345-D348 WeakPolarHBondContact O-CA 3.41Å; Q345-D348 PolarHBondContact O-N 3.32Å; Q345-D348 VanDerWaalsContact O-O 3.09Å; D348-K350 PolarHBondContact O-N 2.98Å; D348-K350 PolarHBondContact OD1-N 3.1Å; D348-R351 HydrophobicContact CB-CB 4.47Å; D348-R351 HydrophobicContact CB-CG 4.45Å; D348-R351 PolarHBondContact O-N 2.68Å; D348-R351 PolarHBondContact OD1-N 2.68Å; D348-R351 WeakPolarHBondContact OD2-CD 3.4Å; D348-R351 WeakPolarHBondContact OD2-CG 3.37Å; D348-R351 IonicContact OD2-CZ 3.19Å; D348-R351 IonicContact OD2-NE 2.68Å; D348-R351 PolarHBondContact OD2-NE 3.01Å; D348-A352 PolarHBondContact O-N 2.99Å; D348-A352 VanDerWaalsContact O-N 3.11Å |
| 349 | V | 83.2 | Confident | 89.4 | Confident | 43 Ų | 43 | 24 Ų | 24 | 26% | 0.261 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -47.1 | -30.4 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | V346 V353 T401 I637 | V346-V349 WeakPolarHBondContact O-CG2 3.47Å; V349-V353 HydrophobicContact CG1-CG2 3.89Å; V349-V353 VanDerWaalsContact O-CB 3.25Å; V349-V353 WeakPolarHBondContact O-CB 3.48Å; V349-V353 WeakPolarHBondContact O-CG2 3.33Å; V349-V353 PolarHBondContact O-N 2.98Å; V349-T401 HydrophobicContact CG1-CG2 3.9Å; V349-I637 HydrophobicContact CG1-CD1 4.4Å |
| 350 | K | 81.4 | Confident | 89.4 | Confident | 121 Ų | 121 | 24.9 Ų | 24.9 | 53% | 0.526 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -68.4 | -45.4 | 179.6 | -61.4 | -173 | 177.3 | 179.6 | 0 | 111.9 | D348 V354 I640 | D348-K350 PolarHBondContact O-N 2.98Å; D348-K350 PolarHBondContact OD1-N 3.1Å; K350-V354 VanDerWaalsContact O-CG2 3.27Å; K350-V354 WeakPolarHBondContact O-CG2 3.41Å; K350-V354 PolarHBondContact O-N 2.95Å; K350-I640 HydrophobicContact CB-CD1 4.29Å; K350-I640 HydrophobicContact CD-CD1 4.25Å; K350-I640 HydrophobicContact CG-CD1 3.87Å |
| 351 | R | 85.5 | Confident | 89 | Confident | 97 Ų | 97 | 26.1 Ų | 26.1 | 37% | 0.366 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 174.8 | -67.4 | -179.6 | -164.6 | -104.4 | -10.2 | 111 | N303 D348 V353 V354 L355 | N303-R351 VanDerWaalsContact OD1-CD 3.3Å; N303-R351 WeakPolarHBondContact OD1-CD 3.36Å; N303-R351 PolarHBondContact OD1-NH1 3.4Å; D348-R351 HydrophobicContact CB-CB 4.47Å; D348-R351 HydrophobicContact CB-CG 4.45Å; D348-R351 PolarHBondContact O-N 2.68Å; D348-R351 PolarHBondContact OD1-N 2.68Å; D348-R351 WeakPolarHBondContact OD2-CD 3.4Å; D348-R351 WeakPolarHBondContact OD2-CG 3.37Å; D348-R351 IonicContact OD2-CZ 3.19Å; D348-R351 IonicContact OD2-NE 2.68Å; D348-R351 PolarHBondContact OD2-NE 3.01Å; R351-V353 PolarHBondContact O-N 3.41Å; R351-V354 PolarHBondContact O-N 3.36Å; R351-L355 PolarHBondContact O-N 3.2Å |
| 352 | A | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P342 Q345 D348 V354 H356 L397 | P342-A352 HydrophobicContact CB-CB 4.36Å; P342-A352 WeakPolarHBondContact O-CB 3.24Å; Q345-A352 HydrophobicContact CB-CB 3.67Å; D348-A352 PolarHBondContact O-N 2.99Å; D348-A352 VanDerWaalsContact O-N 3.11Å; A352-V354 VanDerWaalsContact C-N 3.34Å; A352-V354 PolarHBondContact O-N 3.41Å; A352-H356 WeakPolarHBondContact O-CB 3.11Å; A352-H356 PolarHBondContact O-N 2.95Å; A352-L397 HydrophobicContact CB-CD2 3.79Å |
| 353 | V | 88.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 176 | 164 | 0 | 0 | 0 | 0 | 111.6 | V349 R351 E357 L397 I637 I640 R641 | V349-V353 HydrophobicContact CG1-CG2 3.89Å; V349-V353 VanDerWaalsContact O-CB 3.25Å; V349-V353 WeakPolarHBondContact O-CB 3.48Å; V349-V353 WeakPolarHBondContact O-CG2 3.33Å; V349-V353 PolarHBondContact O-N 2.98Å; R351-V353 PolarHBondContact O-N 3.41Å; V353-E357 WeakPolarHBondContact O-CB 3.31Å; V353-E357 PolarHBondContact O-N 2.89Å; V353-L397 HydrophobicContact CG2-CD2 4.49Å; V353-I637 HydrophobicContact CG1-CG2 3.91Å; V353-I637 HydrophobicContact CG2-CG1 4.29Å; V353-I637 HydrophobicContact CG2-CG2 3.94Å; V353-I640 HydrophobicContact CG1-CG2 4.02Å; V353-R641 HydrophobicContact CG1-CG 3.71Å |
| 354 | V | 85.9 | Confident | 88.8 | Confident | 22 Ų | 22 | 31.9 Ų | 31.9 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.6 | -46.7 | -176.4 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | F316 K350 R351 A352 E357 L358 I640 V644 | F316-V354 HydrophobicContact CB-CB 4.45Å; F316-V354 HydrophobicContact CB-CG1 3.5Å; F316-V354 VanDerWaalsContact CB-CG1 3.5Å; F316-V354 HydrophobicContact CD1-CG1 3.3Å; F316-V354 HydrophobicContact CD2-CG1 3.7Å; F316-V354 HydrophobicContact CE1-CG1 3.82Å; F316-V354 HydrophobicContact CE2-CG1 4.17Å; F316-V354 HydrophobicContact CG-CG1 3.23Å; F316-V354 HydrophobicContact CZ-CG1 4.22Å; K350-V354 VanDerWaalsContact O-CG2 3.27Å; K350-V354 WeakPolarHBondContact O-CG2 3.41Å; K350-V354 PolarHBondContact O-N 2.95Å; R351-V354 PolarHBondContact O-N 3.36Å; A352-V354 VanDerWaalsContact C-N 3.34Å; A352-V354 PolarHBondContact O-N 3.41Å; V354-E357 PolarHBondContact O-N 3.45Å; V354-L358 PolarHBondContact O-N 3.17Å; V354-L358 VanDerWaalsContact O-N 3.08Å; V354-I640 HydrophobicContact CG2-CG2 3.22Å; V354-V644 HydrophobicContact CG1-CG2 4Å |
| 355 | L | 89.6 | Confident | 88.7 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 179.2 | 179.1 | 60 | 0 | 0 | 0 | 111.6 | F318 L338 W341 P342 R351 L358 L359 | F318-L355 HydrophobicContact CD2-CD1 4.13Å; F318-L355 HydrophobicContact CD2-CD2 3.81Å; F318-L355 HydrophobicContact CE2-CD2 3.84Å; L338-L355 HydrophobicContact CD1-CD1 4.14Å; L338-L355 HydrophobicContact CD1-CD2 4.33Å; W341-L355 HydrophobicContact CB-CD2 4.2Å; W341-L355 HydrophobicContact CG-CD2 4.41Å; P342-L355 HydrophobicContact CG-CB 4.1Å; P342-L355 HydrophobicContact CG-CD2 3.84Å; P342-L355 HydrophobicContact CG-CG 3.78Å; R351-L355 PolarHBondContact O-N 3.2Å; L355-L358 HydrophobicContact CD1-CD2 4.27Å; L355-L358 WeakPolarHBondContact O-CB 3.18Å; L355-L358 PolarHBondContact O-N 2.87Å; L355-L359 HydrophobicContact CD1-CD1 4.29Å; L355-L359 HydrophobicContact CD1-CG 4.45Å; L355-L359 HydrophobicContact CG-CD1 4.05Å; L355-L359 WeakPolarHBondContact O-CD1 3.45Å; L355-L359 VanDerWaalsContact O-CG 3.26Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.31Å |
| 356 | H | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 175.4 | 178.3 | -86.6 | 0 | 0 | 0 | 112.5 | P342 A352 L358 L359 Y360 T394 L397 Y406 | P342-H356 HydrophobicContact CB-CB 3.97Å; P342-H356 HydrophobicContact CG-CB 4.14Å; A352-H356 WeakPolarHBondContact O-CB 3.11Å; A352-H356 PolarHBondContact O-N 2.95Å; H356-L358 VanDerWaalsContact C-N 3.3Å; H356-L358 PolarHBondContact O-N 3Å; H356-L359 PolarHBondContact O-N 3.49Å; H356-Y360 WeakPolarHBondContact O-CB 3.26Å; H356-Y360 PolarHBondContact O-N 2.89Å; H356-T394 PolarHBondContact NE2-OG1 3.18Å; H356-L397 HydrophobicContact CB-CD1 3.48Å; H356-L397 VanDerWaalsContact CB-CD1 3.48Å; H356-Y406 AromaticContact CE1-CD1 3.76Å; H356-Y406 AromaticContact CE1-CE1 3.58Å; H356-Y406 AromaticContact ND1-CE1 3.47Å; H356-Y406 WeakPolarHBondContact ND1-CE1 3.5Å |
| 357 | E | 90.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 177.1 | -172.2 | 71.1 | -179.9 | 0 | 0 | 111 | V353 V354 L361 Y405 R641 V644 R645 | V353-E357 WeakPolarHBondContact O-CB 3.31Å; V353-E357 PolarHBondContact O-N 2.89Å; V354-E357 PolarHBondContact O-N 3.45Å; E357-L361 HydrophobicContact CG-CD1 3.93Å; E357-L361 WeakPolarHBondContact O-CB 3.39Å; E357-L361 VanDerWaalsContact O-CD1 3.29Å; E357-L361 WeakPolarHBondContact O-CD1 3.49Å; E357-L361 WeakPolarHBondContact O-CG 3.24Å; E357-L361 PolarHBondContact O-N 2.93Å; E357-Y405 PolarHBondContact OE1-OH 3.31Å; E357-Y405 WeakPolarHBondContact OE2-CE1 3.27Å; E357-Y405 PolarHBondContact OE2-OH 2.77Å; E357-R641 HydrophobicContact CB-CG 4.33Å; E357-R641 HydrophobicContact CG-CB 4.13Å; E357-R641 HydrophobicContact CG-CG 4.02Å; E357-R641 WeakPolarHBondContact OE2-CD 3.35Å; E357-R641 IonicContact OE2-NE 2.71Å; E357-V644 HydrophobicContact CB-CG1 4.4Å; E357-V644 HydrophobicContact CG-CB 4.19Å; E357-V644 HydrophobicContact CG-CG1 4.11Å; E357-R645 WeakPolarHBondContact OE1-CG 3.37Å; E357-R645 IonicContact OE1-CZ 2.72Å; E357-R645 VanDerWaalsContact OE1-CZ 3.29Å; E357-R645 IonicContact OE1-NE 2.63Å; E357-R645 PolarHBondContact OE1-NE 3.44Å; E357-R645 IonicContact OE1-NH2 3.61Å; E357-R645 PolarHBondContact OE1-NH2 3.29Å; E357-R645 VanDerWaalsContact OE1-NH2 3.1Å; E357-R645 IonicContact OE2-NH2 2.73Å |
| 358 | L | 88.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.7 | -55 | 171.2 | 165.2 | 62.2 | 0 | 0 | 0 | 111.8 | F316 L317 V354 L355 H356 Y360 L361 I362 F377 | F316-L358 HydrophobicContact CD2-CB 4.25Å; F316-L358 HydrophobicContact CD2-CD2 3.68Å; F316-L358 HydrophobicContact CE2-CB 4.14Å; F316-L358 HydrophobicContact CE2-CD2 3.89Å; F316-L358 HydrophobicContact CE2-CG 4.4Å; L317-L358 HydrophobicContact CD2-CD2 4.03Å; V354-L358 PolarHBondContact O-N 3.17Å; V354-L358 VanDerWaalsContact O-N 3.08Å; L355-L358 HydrophobicContact CD1-CD2 4.27Å; L355-L358 WeakPolarHBondContact O-CB 3.18Å; L355-L358 PolarHBondContact O-N 2.87Å; H356-L358 VanDerWaalsContact C-N 3.3Å; H356-L358 PolarHBondContact O-N 3Å; L358-Y360 VanDerWaalsContact C-N 3.33Å; L358-Y360 PolarHBondContact O-N 3.09Å; L358-L361 PolarHBondContact O-N 2.99Å; L358-L361 VanDerWaalsContact O-N 3.14Å; L358-I362 HydrophobicContact CD1-CD1 3.58Å; L358-I362 HydrophobicContact CD1-CG1 4.16Å; L358-I362 HydrophobicContact CG-CD1 3.89Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.83Å; L358-F377 HydrophobicContact CD1-CD1 3.61Å; L358-F377 HydrophobicContact CD1-CD2 4.47Å; L358-F377 HydrophobicContact CD1-CE1 3.14Å; L358-F377 HydrophobicContact CD1-CE2 4.03Å; L358-F377 HydrophobicContact CD1-CG 4.31Å; L358-F377 HydrophobicContact CD1-CZ 3.37Å |
| 359 | L | 93.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | -177.6 | -69.7 | 161.4 | 0 | 0 | 0 | 111.9 | L338 A339 P342 L355 H356 I362 H363 L369 F373 L390 | L338-L359 HydrophobicContact CD1-CD1 4.37Å; L338-L359 HydrophobicContact CD1-CD2 4.22Å; A339-L359 HydrophobicContact CB-CD1 3.83Å; A339-L359 HydrophobicContact CB-CD2 4.22Å; P342-L359 HydrophobicContact CG-CD1 3.96Å; L355-L359 HydrophobicContact CD1-CD1 4.29Å; L355-L359 HydrophobicContact CD1-CG 4.45Å; L355-L359 HydrophobicContact CG-CD1 4.05Å; L355-L359 WeakPolarHBondContact O-CD1 3.45Å; L355-L359 VanDerWaalsContact O-CG 3.26Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.31Å; H356-L359 PolarHBondContact O-N 3.49Å; L359-I362 PolarHBondContact O-N 2.84Å; L359-H363 PolarHBondContact O-N 3.4Å; L359-L369 HydrophobicContact CD2-CD1 4.4Å; L359-F373 HydrophobicContact CD2-CE1 4.05Å; L359-F373 HydrophobicContact CD2-CE2 4.34Å; L359-F373 HydrophobicContact CD2-CZ 3.48Å; L359-F373 VanDerWaalsContact CD2-CZ 3.48Å; L359-L390 HydrophobicContact CB-CD1 3.82Å |
| 360 | Y | 94.5 | Very high | 91.3 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 7% | 0.071 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -35.5 | 176 | 175.2 | -119.7 | 0 | 0 | 0 | 112.8 | H356 L358 I362 H363 K364 Y405 V409 Q412 | H356-Y360 WeakPolarHBondContact O-CB 3.26Å; H356-Y360 PolarHBondContact O-N 2.89Å; L358-Y360 VanDerWaalsContact C-N 3.33Å; L358-Y360 PolarHBondContact O-N 3.09Å; Y360-I362 VanDerWaalsContact C-N 3.35Å; Y360-H363 PolarHBondContact O-N 3.22Å; Y360-K364 VanDerWaalsContact O-CB 3.26Å; Y360-K364 WeakPolarHBondContact O-CB 3.32Å; Y360-K364 PolarHBondContact O-N 3.01Å; Y360-Y405 WeakPolarHBondContact CD1-OH 3.37Å; Y360-Y405 WeakPolarHBondContact CE1-OH 3.47Å; Y360-V409 HydrophobicContact CD1-CG2 3.87Å; Y360-V409 HydrophobicContact CD2-CB 4.37Å; Y360-V409 HydrophobicContact CD2-CG1 3.64Å; Y360-V409 HydrophobicContact CD2-CG2 4.22Å; Y360-V409 HydrophobicContact CE1-CG2 3.8Å; Y360-V409 HydrophobicContact CE2-CB 4.26Å; Y360-V409 HydrophobicContact CE2-CG1 3.9Å; Y360-V409 HydrophobicContact CE2-CG2 4.17Å; Y360-V409 HydrophobicContact CG-CG1 4.06Å; Y360-V409 HydrophobicContact CG-CG2 4.06Å; Y360-Q412 HydrophobicContact CE2-CB 4.15Å; Y360-Q412 HydrophobicContact CE2-CG 4.07Å |
| 361 | L | 90.9 | Very high | 92 | Very high | 32 Ų | 32 | 23.9 Ų | 23.9 | 17% | 0.168 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.9 | -36 | 174.2 | -72.9 | 161.2 | 0 | 0 | 0 | 111.7 | E357 L358 K364 R365 V644 R645 A648 | E357-L361 HydrophobicContact CG-CD1 3.93Å; E357-L361 WeakPolarHBondContact O-CB 3.39Å; E357-L361 VanDerWaalsContact O-CD1 3.29Å; E357-L361 WeakPolarHBondContact O-CD1 3.49Å; E357-L361 WeakPolarHBondContact O-CG 3.24Å; E357-L361 PolarHBondContact O-N 2.93Å; L358-L361 PolarHBondContact O-N 2.99Å; L358-L361 VanDerWaalsContact O-N 3.14Å; L361-K364 PolarHBondContact O-N 3.19Å; L361-R365 WeakPolarHBondContact O-CB 3.12Å; L361-R365 PolarHBondContact O-N 2.65Å; L361-V644 HydrophobicContact CD1-CG1 3.97Å; L361-R645 HydrophobicContact CD1-CG 4.48Å; L361-A648 HydrophobicContact CB-CB 4.37Å; L361-A648 HydrophobicContact CD1-CB 3.73Å; L361-A648 HydrophobicContact CD2-CB 4.19Å; L361-A648 HydrophobicContact CG-CB 4.32Å |
| 362 | I | 91.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | 173.3 | -63.9 | 155.9 | 0 | 0 | 0 | 111.2 | L358 L359 Y360 K364 R365 N366 L369 P370 F373 F377 | L358-I362 HydrophobicContact CD1-CD1 3.58Å; L358-I362 HydrophobicContact CD1-CG1 4.16Å; L358-I362 HydrophobicContact CG-CD1 3.89Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.83Å; L359-I362 PolarHBondContact O-N 2.84Å; Y360-I362 VanDerWaalsContact C-N 3.35Å; I362-K364 VanDerWaalsContact C-N 3.35Å; I362-K364 PolarHBondContact O-N 3.46Å; I362-R365 PolarHBondContact O-N 2.86Å; I362-N366 PolarHBondContact O-N 2.89Å; I362-N366 VanDerWaalsContact O-N 3.1Å; I362-N366 PolarHBondContact O-ND2 3.28Å; I362-L369 HydrophobicContact CB-CD1 4.22Å; I362-L369 HydrophobicContact CG2-CD1 3.98Å; I362-P370 HydrophobicContact CG2-CG 4.25Å; I362-F373 HydrophobicContact CD1-CD2 3.43Å; I362-F373 VanDerWaalsContact CD1-CD2 3.43Å; I362-F373 HydrophobicContact CD1-CE2 3.46Å; I362-F373 VanDerWaalsContact CD1-CE2 3.46Å; I362-F373 HydrophobicContact CD1-CG 4.09Å; I362-F373 HydrophobicContact CD1-CZ 4.16Å; I362-F373 HydrophobicContact CG1-CD2 4.48Å; I362-F373 HydrophobicContact CG2-CB 4.23Å; I362-F373 HydrophobicContact CG2-CD1 4.34Å; I362-F373 HydrophobicContact CG2-CG 4.08Å; I362-F377 HydrophobicContact CD1-CD1 4.28Å; I362-F377 HydrophobicContact CD1-CG 4.42Å; I362-F377 HydrophobicContact CG1-CB 3.84Å; I362-F377 HydrophobicContact CG1-CD1 4.26Å; I362-F377 HydrophobicContact CG1-CD2 4.38Å; I362-F377 HydrophobicContact CG1-CG 3.89Å |
| 363 | H | 94.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.1 | -52.3 | 171.8 | 172.5 | 100.6 | 0 | 0 | 0 | 110.3 | L359 Y360 R365 N366 K367 L368 L369 L390 D416 | L359-H363 PolarHBondContact O-N 3.4Å; Y360-H363 PolarHBondContact O-N 3.22Å; H363-R365 PolarHBondContact O-N 3.21Å; H363-N366 CarbonylContact O-C 3.56Å; H363-N366 PolarHBondContact O-N 3.47Å; H363-K367 PolarHBondContact CE1-O 2.95Å; H363-K367 PolarHBondContact NE2-O 3.13Å; H363-K367 CarbonylContact O-C 3.55Å; H363-K367 WeakPolarHBondContact O-CA 2.96Å; H363-K367 PolarHBondContact O-N 3.44Å; H363-L368 PolarHBondContact O-N 2.8Å; H363-L369 HydrophobicContact CB-CB 4.23Å; H363-L369 PolarHBondContact ND1-N 2.98Å; H363-L390 HydrophobicContact CB-CD2 3.89Å; H363-D416 IonicContact CD2-OD2 3.83Å; H363-D416 IonicContact CE1-OD2 2.79Å; H363-D416 IonicContact NE2-OD2 2.94Å; H363-D416 PolarHBondContact NE2-OD2 3.29Å |
| 364 | K | 92.1 | Very high | 92.2 | Very high | 120 Ų | 120 | 19.3 Ų | 19.3 | 52% | 0.522 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -62.8 | -39.5 | -176.9 | -174.2 | 177.9 | 179.6 | -178.5 | 0 | 112.8 | Y360 L361 I362 | Y360-K364 VanDerWaalsContact O-CB 3.26Å; Y360-K364 WeakPolarHBondContact O-CB 3.32Å; Y360-K364 PolarHBondContact O-N 3.01Å; L361-K364 PolarHBondContact O-N 3.19Å; I362-K364 VanDerWaalsContact C-N 3.35Å; I362-K364 PolarHBondContact O-N 3.46Å |
| 365 | R | 90.4 | Very high | 91.9 | Very high | 77 Ų | 77 | 20 Ų | 20 | 29% | 0.291 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.7 | 175.8 | 178.7 | 161.6 | -160.2 | -13.6 | 111.8 | L361 I362 H363 D376 F377 N378 | L361-R365 WeakPolarHBondContact O-CB 3.12Å; L361-R365 PolarHBondContact O-N 2.65Å; I362-R365 PolarHBondContact O-N 2.86Å; H363-R365 PolarHBondContact O-N 3.21Å; R365-D376 PolarHBondContact NH1-O 2.99Å; R365-F377 VanDerWaalsContact NH1-C 3.26Å; R365-F377 PolarHBondContact NH1-O 3.02Å; R365-F377 VanDerWaalsContact NH1-O 3.11Å; R365-N378 PolarHBondContact NH1-OD1 3.04Å; R365-N378 PolarHBondContact NH2-OD1 3.48Å |
| 366 | N | 92.2 | Very high | 91.2 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 9% | 0.086 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -95.2 | 4.5 | -176.1 | -62.3 | -72.3 | 0 | 0 | 0 | 113.5 | I362 H363 L368 V379 V433 M436 | I362-N366 PolarHBondContact O-N 2.89Å; I362-N366 VanDerWaalsContact O-N 3.1Å; I362-N366 PolarHBondContact O-ND2 3.28Å; H363-N366 CarbonylContact O-C 3.56Å; H363-N366 PolarHBondContact O-N 3.47Å; N366-L368 WeakPolarHBondContact CB-O 3.44Å; N366-L368 PolarHBondContact O-N 2.59Å; N366-V379 WeakPolarHBondContact OD1-CG2 3.41Å; N366-V433 HydrophobicContact CB-CB 4.41Å; N366-V433 HydrophobicContact CB-CG2 3.97Å; N366-M436 WeakPolarHBondContact O-CE 3.21Å |
| 367 | K | 94.5 | Very high | 90.6 | Very high | 73 Ų | 73 | 21.4 Ų | 21.4 | 32% | 0.317 | 10% | 0.099 | S | C | . | . | S | Bend | trans | 58.6 | -19.6 | -166.6 | -25.7 | 110.6 | -166.3 | 165 | 0 | 116.1 | H363 D416 Y420 M436 | H363-K367 PolarHBondContact CE1-O 2.95Å; H363-K367 PolarHBondContact NE2-O 3.13Å; H363-K367 CarbonylContact O-C 3.55Å; H363-K367 WeakPolarHBondContact O-CA 2.96Å; H363-K367 PolarHBondContact O-N 3.44Å; K367-D416 VanDerWaalsContact O-CB 3.29Å; K367-D416 WeakPolarHBondContact O-CB 3.45Å; K367-D416 VanDerWaalsContact O-CG 3.23Å; K367-Y420 HydrophobicContact CB-CD2 3.97Å; K367-Y420 HydrophobicContact CB-CE2 3.45Å; K367-Y420 VanDerWaalsContact CB-CE2 3.45Å; K367-Y420 HydrophobicContact CD-CE1 4.16Å; K367-Y420 HydrophobicContact CD-CE2 4.38Å; K367-Y420 HydrophobicContact CG-CE2 3.98Å; K367-M436 HydrophobicContact CB-CE 3.94Å; K367-M436 HydrophobicContact CD-CE 3.49Å; K367-M436 VanDerWaalsContact CD-CE 3.49Å; K367-M436 HydrophobicContact CG-CE 4.37Å |
| 368 | L | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -140.8 | 152.6 | 171.1 | -64.5 | 171.4 | 0 | 0 | 0 | 108.6 | H363 N366 P370 H384 D416 L417 T421 I430 V433 M436 | H363-L368 PolarHBondContact O-N 2.8Å; N366-L368 WeakPolarHBondContact CB-O 3.44Å; N366-L368 PolarHBondContact O-N 2.59Å; L368-P370 WeakPolarHBondContact O-CD 3.31Å; L368-H384 HydrophobicContact CB-CB 4.31Å; L368-H384 HydrophobicContact CD1-CB 4.41Å; L368-D416 HydrophobicContact CD2-CB 4.09Å; L368-L417 HydrophobicContact CD2-CD2 4.27Å; L368-T421 HydrophobicContact CD1-CG2 3.7Å; L368-T421 HydrophobicContact CD2-CG2 4.49Å; L368-I430 HydrophobicContact CD1-CG1 3.83Å; L368-V433 HydrophobicContact CB-CG1 3.8Å; L368-M436 HydrophobicContact CB-CE 4.35Å; L368-M436 HydrophobicContact CD1-CE 3.86Å; L368-M436 HydrophobicContact CD1-SD 3.89Å; L368-M436 HydrophobicContact CG-CE 3.98Å |
| 369 | L | 96.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | trans | -72 | 118.2 | 175.5 | -171.9 | 72.4 | 0 | 0 | 0 | 110.7 | A336 A339 L359 I362 H363 F373 H384 L390 | A336-L369 HydrophobicContact CB-CD2 4.11Å; A339-L369 HydrophobicContact CB-CD2 4.17Å; L359-L369 HydrophobicContact CD2-CD1 4.4Å; I362-L369 HydrophobicContact CB-CD1 4.22Å; I362-L369 HydrophobicContact CG2-CD1 3.98Å; H363-L369 HydrophobicContact CB-CB 4.23Å; H363-L369 PolarHBondContact ND1-N 2.98Å; L369-F373 HydrophobicContact CD1-CD1 4.37Å; L369-F373 HydrophobicContact CD1-CE1 4.15Å; L369-H384 PolarHBondContact O-ND1 3.2Å; L369-L390 HydrophobicContact CB-CD2 4.41Å; L369-L390 HydrophobicContact CD2-CB 4.29Å; L369-L390 HydrophobicContact CD2-CD2 4.3Å | ||
| 370 | P | 96.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -70.7 | 146.5 | 176.2 | 29.6 | -36.1 | 0 | 0 | 0 | 112.3 | I362 L368 A372 F373 V379 W381 Q383 V433 | I362-P370 HydrophobicContact CG2-CG 4.25Å; L368-P370 WeakPolarHBondContact O-CD 3.31Å; P370-A372 PolarHBondContact O-N 3.46Å; P370-A372 VanDerWaalsContact O-N 3.11Å; P370-F373 HydrophobicContact CG-CB 4.06Å; P370-F373 HydrophobicContact CG-CD1 4.31Å; P370-V379 HydrophobicContact CB-CG1 4.12Å; P370-V379 HydrophobicContact CB-CG2 4.31Å; P370-V379 HydrophobicContact CG-CG2 4.24Å; P370-W381 WeakPolarHBondContact CB-O 3.21Å; P370-Q383 CarbonylContact C-O 3.36Å; P370-V433 HydrophobicContact CB-CG2 3.98Å | ||
| 371 | E | 95.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -54.8 | -29.3 | 179.6 | -170.5 | 72.1 | 176.2 | 0 | 0 | 112.7 | D335 A336 W381 Q383 R387 | D335-E371 CarbonylContact C-O 3.56Å; D335-E371 VanDerWaalsContact CA-O 3.29Å; D335-E371 WeakPolarHBondContact CA-O 3.48Å; A336-E371 PolarHBondContact N-O 2.87Å; E371-W381 HydrophobicContact CB-CB 4.32Å; E371-W381 HydrophobicContact CG-CE3 4.45Å; E371-W381 PolarHBondContact N-O 3.36Å; E371-Q383 HydrophobicContact CB-CB 3.93Å; E371-Q383 WeakPolarHBondContact CB-O 3.48Å; E371-Q383 PolarHBondContact N-O 3.33Å; E371-R387 VanDerWaalsContact CD-NE 3.31Å; E371-R387 IonicContact OE1-CZ 3.68Å; E371-R387 VanDerWaalsContact OE1-CZ 3.31Å; E371-R387 IonicContact OE1-NE 3.86Å; E371-R387 PolarHBondContact OE1-NE 3.15Å; E371-R387 IonicContact OE1-NH2 2.86Å; E371-R387 PolarHBondContact OE1-NH2 3.01Å; E371-R387 WeakPolarHBondContact OE2-CD 3.34Å; E371-R387 IonicContact OE2-CZ 3.34Å; E371-R387 IonicContact OE2-NE 2.73Å; E371-R387 PolarHBondContact OE2-NE 3.11Å; E371-R387 IonicContact OE2-NH2 2.66Å |
| 372 | A | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 145.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F333 M334 P370 H380 W381 | F333-A372 HydrophobicContact CD2-CB 3.87Å; F333-A372 HydrophobicContact CE2-CB 4.3Å; M334-A372 CarbonylContact O-C 3.53Å; M334-A372 WeakPolarHBondContact O-CA 3.44Å; M334-A372 WeakPolarHBondContact O-CB 3.48Å; P370-A372 PolarHBondContact O-N 3.46Å; P370-A372 VanDerWaalsContact O-N 3.11Å; A372-H380 HydrophobicContact CB-CB 4.03Å; A372-H380 PolarHBondContact O-N 3.16Å; A372-W381 HydrophobicContact CB-CB 3.83Å; A372-W381 HydrophobicContact CB-CD2 3.77Å; A372-W381 HydrophobicContact CB-CE3 3.63Å; A372-W381 HydrophobicContact CB-CG 3.88Å; A372-W381 HydrophobicContact CB-CZ3 4.46Å; A372-W381 PolarHBondContact N-O 3.35Å; A372-W381 VanDerWaalsContact N-O 3.16Å; A372-W381 PolarHBondContact O-N 2.77Å |
| 373 | F | 89.8 | Confident | 90.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | -174.4 | 177.2 | 57.9 | -87.1 | 0 | 0 | 0 | 109.2 | F333 M334 L359 I362 L369 P370 N378 | F333-F373 CarbonylContact C-O 3.03Å; F333-F373 VanDerWaalsContact CA-O 3.32Å; F333-F373 WeakPolarHBondContact CA-O 3.46Å; F333-F373 WeakPolarHBondContact CB-O 3.44Å; M334-F373 HydrophobicContact CB-CD2 4.12Å; M334-F373 HydrophobicContact CB-CE1 4.33Å; M334-F373 HydrophobicContact CB-CE2 3.59Å; M334-F373 HydrophobicContact CB-CZ 3.69Å; M334-F373 HydrophobicContact CE-CD2 3.84Å; M334-F373 HydrophobicContact CE-CE2 3.5Å; M334-F373 HydrophobicContact CG-CE2 4.3Å; M334-F373 PolarHBondContact N-O 3.18Å; M334-F373 PolarHBondContact O-N 3.42Å; M334-F373 HydrophobicContact SD-CE2 3.87Å; M334-F373 HydrophobicContact SD-CZ 4.47Å; L359-F373 HydrophobicContact CD2-CE1 4.05Å; L359-F373 HydrophobicContact CD2-CE2 4.34Å; L359-F373 HydrophobicContact CD2-CZ 3.48Å; L359-F373 VanDerWaalsContact CD2-CZ 3.48Å; I362-F373 HydrophobicContact CD1-CD2 3.43Å; I362-F373 VanDerWaalsContact CD1-CD2 3.43Å; I362-F373 HydrophobicContact CD1-CE2 3.46Å; I362-F373 VanDerWaalsContact CD1-CE2 3.46Å; I362-F373 HydrophobicContact CD1-CG 4.09Å; I362-F373 HydrophobicContact CD1-CZ 4.16Å; I362-F373 HydrophobicContact CG1-CD2 4.48Å; I362-F373 HydrophobicContact CG2-CB 4.23Å; I362-F373 HydrophobicContact CG2-CD1 4.34Å; I362-F373 HydrophobicContact CG2-CG 4.08Å; L369-F373 HydrophobicContact CD1-CD1 4.37Å; L369-F373 HydrophobicContact CD1-CE1 4.15Å; P370-F373 HydrophobicContact CG-CB 4.06Å; P370-F373 HydrophobicContact CG-CD1 4.31Å; F373-N378 VanDerWaalsContact CA-O 3.31Å; F373-N378 WeakPolarHBondContact CA-O 3.33Å |
| 374 | T | 85.4 | Confident | 90.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | trans | -142.6 | 179.7 | -175.7 | 102.5 | 0 | 0 | 0 | 0 | 113.4 | F333 M334 D376 F377 N378 H380 P663 | F333-T374 HydrophobicContact CB-CG2 3.86Å; M334-T374 VanDerWaalsContact CE-C 3.41Å; T374-D376 PolarHBondContact O-N 2.82Å; T374-D376 VanDerWaalsContact O-N 3.07Å; T374-D376 PolarHBondContact OG1-N 3.28Å; T374-D376 PolarHBondContact OG1-OD1 3.01Å; T374-F377 WeakPolarHBondContact O-CA 3.44Å; T374-F377 PolarHBondContact O-N 3.39Å; T374-N378 PolarHBondContact N-O 2.97Å; T374-H380 HydrophobicContact CG2-CB 4.05Å; T374-P663 HydrophobicContact CG2-CB 3.53Å; T374-P663 HydrophobicContact CG2-CG 3.32Å; T374-P663 WeakPolarHBondContact OG1-CB 3.39Å; T374-P663 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 375 | P | 78.6 | Confident | 90.6 | Very high | 35 Ų | 35 | 26.8 Ų | 26.8 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -31.5 | 172.6 | -37.1 | 41 | 0 | 0 | 0 | 118.3 | L317 L319 T332 F377 | L317-P375 HydrophobicContact CD1-CB 3.63Å; L317-P375 HydrophobicContact CD1-CG 3.88Å; L317-P375 HydrophobicContact CD2-CB 4.29Å; L317-P375 HydrophobicContact CD2-CG 4.4Å; L319-P375 HydrophobicContact CD1-CG 3.69Å; L319-P375 HydrophobicContact CD2-CG 3.98Å; L319-P375 HydrophobicContact CG-CG 4.46Å; T332-P375 WeakPolarHBondContact O-CD 3.38Å; P375-F377 WeakPolarHBondContact O-CD1 3.47Å; P375-F377 VanDerWaalsContact O-CE1 3.23Å; P375-F377 WeakPolarHBondContact O-CE1 3.28Å |
| 376 | D | 74.8 | Confident | 90.9 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 13% | 0.134 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 4.8 | -179.6 | 71.2 | -8.4 | 0 | 0 | 0 | 114 | R365 T374 N378 P663 T1239 | R365-D376 PolarHBondContact NH1-O 2.99Å; T374-D376 PolarHBondContact O-N 2.82Å; T374-D376 VanDerWaalsContact O-N 3.07Å; T374-D376 PolarHBondContact OG1-N 3.28Å; T374-D376 PolarHBondContact OG1-OD1 3.01Å; D376-N378 VanDerWaalsContact CG-ND2 3.3Å; D376-N378 PolarHBondContact O-N 2.96Å; D376-N378 WeakPolarHBondContact OD1-CB 3.24Å; D376-N378 PolarHBondContact OD1-N 2.98Å; D376-N378 PolarHBondContact OD2-ND2 3.28Å; D376-P663 VanDerWaalsContact CG-CG 3.46Å; D376-P663 WeakPolarHBondContact OD1-CG 3.46Å; D376-P663 VanDerWaalsContact OD2-CG 3.26Å; D376-P663 WeakPolarHBondContact OD2-CG 3.39Å; D376-T1239 WeakPolarHBondContact OD2-CG2 3.5Å |
| 377 | F | 81.9 | Confident | 91.2 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | trans | 69.5 | 8.9 | 177 | -44.8 | -8.3 | 0 | 0 | 0 | 114.5 | F314 L358 I362 R365 T374 P375 A648 L651 | F314-F377 HydrophobicContact CE1-CE1 4.38Å; F314-F377 HydrophobicContact CE1-CZ 4.16Å; L358-F377 HydrophobicContact CD1-CD1 3.61Å; L358-F377 HydrophobicContact CD1-CD2 4.47Å; L358-F377 HydrophobicContact CD1-CE1 3.14Å; L358-F377 HydrophobicContact CD1-CE2 4.03Å; L358-F377 HydrophobicContact CD1-CG 4.31Å; L358-F377 HydrophobicContact CD1-CZ 3.37Å; I362-F377 HydrophobicContact CD1-CD1 4.28Å; I362-F377 HydrophobicContact CD1-CG 4.42Å; I362-F377 HydrophobicContact CG1-CB 3.84Å; I362-F377 HydrophobicContact CG1-CD1 4.26Å; I362-F377 HydrophobicContact CG1-CD2 4.38Å; I362-F377 HydrophobicContact CG1-CG 3.89Å; R365-F377 VanDerWaalsContact NH1-C 3.26Å; R365-F377 PolarHBondContact NH1-O 3.02Å; R365-F377 VanDerWaalsContact NH1-O 3.11Å; T374-F377 WeakPolarHBondContact O-CA 3.44Å; T374-F377 PolarHBondContact O-N 3.39Å; P375-F377 WeakPolarHBondContact O-CD1 3.47Å; P375-F377 VanDerWaalsContact O-CE1 3.23Å; P375-F377 WeakPolarHBondContact O-CE1 3.28Å; F377-A648 HydrophobicContact CE2-CB 4.01Å; F377-L651 HydrophobicContact CD2-CD1 3.89Å; F377-L651 HydrophobicContact CE1-CD1 4.01Å; F377-L651 HydrophobicContact CE2-CD1 3.39Å; F377-L651 HydrophobicContact CG-CD1 4.42Å; F377-L651 HydrophobicContact CZ-CD1 3.43Å; F377-L651 VanDerWaalsContact CZ-CD1 3.43Å | ||
| 378 | N | 83.7 | Confident | 91.4 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.053 | 10% | 0.103 | C | C | . | . | trans | -73.4 | 149.4 | 171.7 | -70.3 | -40.6 | 0 | 0 | 0 | 111.3 | R365 F373 T374 D376 G661 P663 | R365-N378 PolarHBondContact NH1-OD1 3.04Å; R365-N378 PolarHBondContact NH2-OD1 3.48Å; F373-N378 VanDerWaalsContact CA-O 3.31Å; F373-N378 WeakPolarHBondContact CA-O 3.33Å; T374-N378 PolarHBondContact N-O 2.97Å; D376-N378 VanDerWaalsContact CG-ND2 3.3Å; D376-N378 PolarHBondContact O-N 2.96Å; D376-N378 WeakPolarHBondContact OD1-CB 3.24Å; D376-N378 PolarHBondContact OD1-N 2.98Å; D376-N378 PolarHBondContact OD2-ND2 3.28Å; N378-G661 WeakPolarHBondContact ND2-CA 3.3Å; N378-P663 HydrophobicContact CB-CG 3.61Å | ||
| 379 | V | 89.7 | Confident | 91.4 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 11% | 0.109 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.5 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | N366 P370 G382 V433 R434 | N366-V379 WeakPolarHBondContact OD1-CG2 3.41Å; P370-V379 HydrophobicContact CB-CG1 4.12Å; P370-V379 HydrophobicContact CB-CG2 4.31Å; P370-V379 HydrophobicContact CG-CG2 4.24Å; V379-G382 VanDerWaalsContact CG1-CA 3.49Å; V379-V433 HydrophobicContact CG2-CG2 4.02Å; V379-R434 HydrophobicContact CG2-CG 4.32Å |
| 380 | H | 89.7 | Confident | 91.5 | Very high | 53 Ų | 53 | 22.9 Ų | 22.9 | 25% | 0.245 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -50.8 | 171.1 | -170.4 | 80.7 | 0 | 0 | 0 | 110.8 | F333 A372 T374 P663 | F333-H380 HydrophobicContact CB-CB 4.11Å; F333-H380 AromaticContact CD1-CD2 3.47Å; F333-H380 VanDerWaalsContact CD1-CD2 3.47Å; F333-H380 WeakPolarHBondContact CD1-CD2 3.43Å; F333-H380 AromaticContact CD1-CE1 3.78Å; F333-H380 AromaticContact CD1-NE2 3.26Å; F333-H380 VanDerWaalsContact CD1-NE2 3.26Å; F333-H380 WeakPolarHBondContact CD1-NE2 3.47Å; F333-H380 AromaticContact CE1-CD2 3.91Å; F333-H380 AromaticContact CE1-NE2 3.54Å; F333-H380 AromaticContact CG-CD2 3.66Å; F333-H380 AromaticContact CG-NE2 3.96Å; A372-H380 HydrophobicContact CB-CB 4.03Å; A372-H380 PolarHBondContact O-N 3.16Å; T374-H380 HydrophobicContact CG2-CB 4.05Å; H380-P663 PolarHBondContact ND1-O 2.82Å |
| 381 | W | 92.1 | Very high | 91.6 | Very high | 84 Ų | 84 | 23.1 Ų | 23.1 | 32% | 0.318 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.4 | 170.4 | -61.7 | -25.7 | 0 | 0 | 0 | 108.7 | F333 P370 E371 A372 Q383 L1281 | F333-W381 HydrophobicContact CE1-CZ2 4.23Å; F333-W381 AromaticContact CE2-CH2 3.84Å; F333-W381 HydrophobicContact CE2-CH2 3.84Å; F333-W381 HydrophobicContact CE2-CZ2 4.19Å; F333-W381 HydrophobicContact CE2-CZ3 4.03Å; F333-W381 AromaticContact CZ-CH2 3.56Å; F333-W381 HydrophobicContact CZ-CH2 3.56Å; F333-W381 AromaticContact CZ-CZ2 3.63Å; F333-W381 HydrophobicContact CZ-CZ2 3.63Å; F333-W381 HydrophobicContact CZ-CZ3 4.23Å; P370-W381 WeakPolarHBondContact CB-O 3.21Å; E371-W381 HydrophobicContact CB-CB 4.32Å; E371-W381 HydrophobicContact CG-CE3 4.45Å; E371-W381 PolarHBondContact N-O 3.36Å; A372-W381 HydrophobicContact CB-CB 3.83Å; A372-W381 HydrophobicContact CB-CD2 3.77Å; A372-W381 HydrophobicContact CB-CE3 3.63Å; A372-W381 HydrophobicContact CB-CG 3.88Å; A372-W381 HydrophobicContact CB-CZ3 4.46Å; A372-W381 PolarHBondContact N-O 3.35Å; A372-W381 VanDerWaalsContact N-O 3.16Å; A372-W381 PolarHBondContact O-N 2.77Å; W381-Q383 PolarHBondContact O-N 3.34Å; W381-L1281 HydrophobicContact CH2-CD1 4.39Å; W381-L1281 HydrophobicContact CZ3-CD1 4.47Å |
| 382 | G | 93.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | trans | -79.1 | -12.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V379 D432 V433 | V379-G382 VanDerWaalsContact CG1-CA 3.49Å; G382-D432 CarbonylContact O-C 3.35Å; G382-D432 VanDerWaalsContact O-CA 3.23Å; G382-D432 WeakPolarHBondContact O-CA 3.3Å; G382-V433 WeakPolarHBondContact O-CG1 3.38Å; G382-V433 PolarHBondContact O-N 3.37Å | ||
| 383 | Q | 95.1 | Very high | 91.9 | Very high | 84 Ų | 84 | 22.3 Ų | 22.3 | 39% | 0.393 | 11% | 0.106 | S | C | . | . | trans | -56.6 | 150.5 | -175.9 | -67.1 | 78.6 | -4.8 | 0 | 0 | 111.4 | P370 E371 W381 I430 K431 | P370-Q383 CarbonylContact C-O 3.36Å; E371-Q383 HydrophobicContact CB-CB 3.93Å; E371-Q383 WeakPolarHBondContact CB-O 3.48Å; E371-Q383 PolarHBondContact N-O 3.33Å; W381-Q383 PolarHBondContact O-N 3.34Å; Q383-I430 CarbonylContact C-O 3.59Å; Q383-I430 WeakPolarHBondContact CA-O 3.17Å; Q383-K431 WeakPolarHBondContact CA-O 3.48Å; Q383-K431 WeakPolarHBondContact CG-O 3.33Å; Q383-K431 PolarHBondContact N-O 3.39Å | ||
| 384 | H | 97.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 7% | 0.069 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -140.3 | 103.5 | 164.9 | 177.1 | 80.7 | 0 | 0 | 0 | 109.1 | L368 L369 L386 I430 V433 | L368-H384 HydrophobicContact CB-CB 4.31Å; L368-H384 HydrophobicContact CD1-CB 4.41Å; L369-H384 PolarHBondContact O-ND1 3.2Å; H384-L386 PolarHBondContact O-N 2.61Å; H384-I430 HydrophobicContact CB-CB 4.26Å; H384-I430 PolarHBondContact N-O 2.87Å; H384-I430 PolarHBondContact O-N 3.12Å; H384-V433 HydrophobicContact CB-CG1 3.84Å |
| 385 | L | 95 | Very high | 92.9 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 12% | 0.12 | 11% | 0.106 | C | C | . | . | trans | -87.4 | 26.2 | -173.8 | -54.6 | -179.2 | 0 | 0 | 0 | 113.3 | R387 A429 F445 | L385-R387 HydrophobicContact CB-CG 4.21Å; L385-R387 PolarHBondContact O-N 2.74Å; L385-A429 HydrophobicContact CD2-CB 4.02Å; L385-F445 HydrophobicContact CB-CZ 4.34Å; L385-F445 WeakPolarHBondContact O-CE2 3.29Å; L385-F445 VanDerWaalsContact O-CZ 3.31Å; L385-F445 WeakPolarHBondContact O-CZ 3.44Å | ||
| 386 | L | 97.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | trans | 62 | 25.6 | -178.8 | -54.1 | 169.5 | 0 | 0 | 0 | 114.4 | H384 L417 T421 F427 F442 V446 T450 | H384-L386 PolarHBondContact O-N 2.61Å; L386-L417 HydrophobicContact CD2-CD2 3.74Å; L386-T421 HydrophobicContact CD2-CG2 3.66Å; L386-T421 VanDerWaalsContact CD2-OG1 3.24Å; L386-T421 WeakPolarHBondContact CD2-OG1 3.32Å; L386-F427 HydrophobicContact CD1-CB 4.02Å; L386-F442 HydrophobicContact CD1-CD2 4.31Å; L386-V446 HydrophobicContact CB-CG1 4.13Å; L386-V446 HydrophobicContact CB-CG2 3.52Å; L386-V446 HydrophobicContact CD1-CG1 4.19Å; L386-V446 HydrophobicContact CD1-CG2 3.98Å; L386-V446 HydrophobicContact CG-CG2 4.38Å; L386-T450 WeakPolarHBondContact O-CG2 3.22Å; L386-T450 PolarHBondContact O-OG1 3.49Å | ||
| 387 | R | 97.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 21.9 Ų | 21.9 | 21% | 0.208 | 10% | 0.101 | C | C | . | . | trans | -62 | 150.5 | -171.8 | -66.4 | -169.9 | 173.2 | -76.3 | 1.6 | 115 | E371 L385 E389 F445 | E371-R387 VanDerWaalsContact CD-NE 3.31Å; E371-R387 IonicContact OE1-CZ 3.68Å; E371-R387 VanDerWaalsContact OE1-CZ 3.31Å; E371-R387 IonicContact OE1-NE 3.86Å; E371-R387 PolarHBondContact OE1-NE 3.15Å; E371-R387 IonicContact OE1-NH2 2.86Å; E371-R387 PolarHBondContact OE1-NH2 3.01Å; E371-R387 WeakPolarHBondContact OE2-CD 3.34Å; E371-R387 IonicContact OE2-CZ 3.34Å; E371-R387 IonicContact OE2-NE 2.73Å; E371-R387 PolarHBondContact OE2-NE 3.11Å; E371-R387 IonicContact OE2-NH2 2.66Å; L385-R387 HydrophobicContact CB-CG 4.21Å; L385-R387 PolarHBondContact O-N 2.74Å; R387-E389 WeakPolarHBondContact CB-OE1 3.26Å; R387-E389 VanDerWaalsContact CB-OE2 3.23Å; R387-E389 WeakPolarHBondContact CB-OE2 3.47Å; R387-E389 WeakPolarHBondContact CD-OE1 3.35Å; R387-E389 IonicContact NH1-OE1 2.73Å; R387-F445 HydrophobicContact CG-CE2 4.31Å; R387-F445 HydrophobicContact CG-CZ 4.37Å | ||
| 388 | P | 98.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -89.9 | -17 | -171.3 | 34.3 | -37.9 | 0 | 0 | 0 | 116.3 | L390 I391 E392 E449 T450 Y453 | P388-L390 VanDerWaalsContact C-N 3.33Å; P388-L390 PolarHBondContact O-N 3.27Å; P388-I391 CarbonylContact O-C 3.41Å; P388-I391 WeakPolarHBondContact O-CA 3.35Å; P388-I391 WeakPolarHBondContact O-CG2 3.28Å; P388-I391 PolarHBondContact O-N 2.65Å; P388-E392 PolarHBondContact O-N 2.58Å; P388-E449 HydrophobicContact CB-CB 3.42Å; P388-E449 VanDerWaalsContact CB-CB 3.42Å; P388-E449 HydrophobicContact CB-CG 4.49Å; P388-E449 HydrophobicContact CG-CB 3.63Å; P388-E449 HydrophobicContact CG-CG 4.23Å; P388-E449 WeakPolarHBondContact CG-OE2 3.46Å; P388-T450 WeakPolarHBondContact CA-OG1 3.25Å; P388-Y453 HydrophobicContact CB-CD2 4.27Å |
| 389 | E | 98.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70 | -32.4 | -153.4 | -42.9 | 78.6 | -171.2 | 0 | 0 | 112.5 | L337 A339 F340 R387 I391 E392 S393 | L337-E389 WeakPolarHBondContact CD2-OE1 3.31Å; A339-E389 CarbonylContact C-O 3.53Å; A339-E389 HydrophobicContact CB-CB 4.09Å; A339-E389 CarbonylContact O-C 3.56Å; F340-E389 HydrophobicContact CB-CB 4Å; F340-E389 HydrophobicContact CB-CG 4.44Å; R387-E389 WeakPolarHBondContact CB-OE1 3.26Å; R387-E389 VanDerWaalsContact CB-OE2 3.23Å; R387-E389 WeakPolarHBondContact CB-OE2 3.47Å; R387-E389 WeakPolarHBondContact CD-OE1 3.35Å; R387-E389 IonicContact NH1-OE1 2.73Å; E389-I391 VanDerWaalsContact C-N 3.32Å; E389-I391 PolarHBondContact O-N 3.46Å; E389-E392 PolarHBondContact O-N 3.28Å; E389-S393 WeakPolarHBondContact O-CB 3.2Å; E389-S393 PolarHBondContact O-N 3.4Å |
| 390 | L | 97.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -35.6 | 171.3 | 179.5 | 58.1 | 0 | 0 | 0 | 112.2 | A339 L359 H363 L369 P388 T394 I413 | A339-L390 HydrophobicContact CB-CB 4.12Å; L359-L390 HydrophobicContact CB-CD1 3.82Å; H363-L390 HydrophobicContact CB-CD2 3.89Å; L369-L390 HydrophobicContact CB-CD2 4.41Å; L369-L390 HydrophobicContact CD2-CB 4.29Å; L369-L390 HydrophobicContact CD2-CD2 4.3Å; P388-L390 VanDerWaalsContact C-N 3.33Å; P388-L390 PolarHBondContact O-N 3.27Å; L390-T394 WeakPolarHBondContact O-CB 3.42Å; L390-T394 PolarHBondContact O-N 2.95Å; L390-T394 PolarHBondContact O-OG1 3.41Å; L390-I413 HydrophobicContact CD2-CD1 4.39Å; L390-I413 HydrophobicContact CG-CD1 4.34Å |
| 391 | I | 98.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -82.7 | -31.5 | 177 | -165.8 | 77.1 | 0 | 0 | 0 | 112.4 | P388 E389 T394 Y395 I413 T450 L454 L457 | P388-I391 CarbonylContact O-C 3.41Å; P388-I391 WeakPolarHBondContact O-CA 3.35Å; P388-I391 WeakPolarHBondContact O-CG2 3.28Å; P388-I391 PolarHBondContact O-N 2.65Å; E389-I391 VanDerWaalsContact C-N 3.32Å; E389-I391 PolarHBondContact O-N 3.46Å; I391-T394 HydrophobicContact CD1-CG2 4.06Å; I391-T394 WeakPolarHBondContact O-CB 3.29Å; I391-T394 PolarHBondContact O-N 3Å; I391-Y395 WeakPolarHBondContact O-CB 3.44Å; I391-Y395 PolarHBondContact O-N 2.96Å; I391-I413 HydrophobicContact CD1-CD1 3.91Å; I391-T450 HydrophobicContact CG2-CG2 4.48Å; I391-L454 HydrophobicContact CD1-CD2 3.5Å; I391-L454 VanDerWaalsContact CD1-CD2 3.5Å; I391-L454 HydrophobicContact CD1-CG 4.26Å; I391-L454 HydrophobicContact CG1-CD2 3.69Å; I391-L454 HydrophobicContact CG1-CG 3.87Å; I391-L457 HydrophobicContact CD1-CD2 3.88Å |
| 392 | E | 98.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 7% | 0.065 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.5 | -55 | 165.9 | -175.9 | -165.4 | -163 | 0 | 0 | 109.6 | K281 P388 E389 T394 Y395 L396 Y453 | K281-E392 IonicContact NZ-OE1 2.88Å; P388-E392 PolarHBondContact O-N 2.58Å; E389-E392 PolarHBondContact O-N 3.28Å; E392-T394 VanDerWaalsContact C-N 3.28Å; E392-T394 PolarHBondContact O-N 3.15Å; E392-Y395 WeakPolarHBondContact O-CB 3.18Å; E392-Y395 PolarHBondContact O-N 3.17Å; E392-Y395 VanDerWaalsContact O-N 3.09Å; E392-L396 HydrophobicContact CG-CD1 3.78Å; E392-L396 HydrophobicContact CG-CG 4.25Å; E392-L396 WeakPolarHBondContact O-CG 3.13Å; E392-L396 PolarHBondContact O-N 3.22Å; E392-Y453 HydrophobicContact CB-CD2 3.81Å; E392-Y453 HydrophobicContact CB-CE1 4.41Å; E392-Y453 HydrophobicContact CB-CE2 3.67Å; E392-Y453 HydrophobicContact CB-CG 4.24Å; E392-Y453 HydrophobicContact CG-CD1 4.42Å; E392-Y453 HydrophobicContact CG-CD2 4.35Å; E392-Y453 HydrophobicContact CG-CE1 3.93Å; E392-Y453 HydrophobicContact CG-CE2 3.82Å |
| 393 | S | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -38.6 | 177 | -84.9 | 0 | 0 | 0 | 0 | 113.1 | A339 F340 P342 G343 E389 L397 | A339-S393 VanDerWaalsContact O-CB 3.25Å; A339-S393 WeakPolarHBondContact O-CB 3.43Å; A339-S393 PolarHBondContact O-OG 3.13Å; F340-S393 PolarHBondContact O-OG 2.95Å; P342-S393 WeakPolarHBondContact CB-OG 3.25Å; P342-S393 WeakPolarHBondContact CD-OG 3.47Å; G343-S393 PolarHBondContact N-OG 3.1Å; E389-S393 WeakPolarHBondContact O-CB 3.2Å; E389-S393 PolarHBondContact O-N 3.4Å; S393-L397 WeakPolarHBondContact O-CB 3.23Å; S393-L397 WeakPolarHBondContact O-CG 3.35Å; S393-L397 PolarHBondContact O-N 3.4Å |
| 394 | T | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | H356 L390 I391 E392 Y398 Y406 V409 L457 | H356-T394 PolarHBondContact NE2-OG1 3.18Å; L390-T394 WeakPolarHBondContact O-CB 3.42Å; L390-T394 PolarHBondContact O-N 2.95Å; L390-T394 PolarHBondContact O-OG1 3.41Å; I391-T394 HydrophobicContact CD1-CG2 4.06Å; I391-T394 WeakPolarHBondContact O-CB 3.29Å; I391-T394 PolarHBondContact O-N 3Å; E392-T394 VanDerWaalsContact C-N 3.28Å; E392-T394 PolarHBondContact O-N 3.15Å; T394-Y398 WeakPolarHBondContact O-CB 3.34Å; T394-Y398 PolarHBondContact O-N 2.7Å; T394-Y406 HydrophobicContact CG2-CD1 4.17Å; T394-Y406 WeakPolarHBondContact CG2-O 3.49Å; T394-V409 HydrophobicContact CG2-CB 4.09Å; T394-V409 HydrophobicContact CG2-CG1 3.85Å; T394-L457 HydrophobicContact CG2-CD2 3.92Å |
| 395 | Y | 97.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.3 | -50.2 | 177.1 | 169.1 | -108.1 | 0 | 0 | 0 | 111.6 | I391 E392 L397 Y398 R399 Y453 L456 L457 F473 | I391-Y395 WeakPolarHBondContact O-CB 3.44Å; I391-Y395 PolarHBondContact O-N 2.96Å; E392-Y395 WeakPolarHBondContact O-CB 3.18Å; E392-Y395 PolarHBondContact O-N 3.17Å; E392-Y395 VanDerWaalsContact O-N 3.09Å; Y395-L397 PolarHBondContact O-N 2.93Å; Y395-Y398 WeakPolarHBondContact O-CB 3.42Å; Y395-Y398 PolarHBondContact O-N 3.39Å; Y395-R399 HydrophobicContact CD1-CG 4.5Å; Y395-R399 HydrophobicContact CD2-CG 4.07Å; Y395-R399 HydrophobicContact CE1-CG 4.1Å; Y395-R399 HydrophobicContact CE2-CG 3.62Å; Y395-R399 HydrophobicContact CG-CG 4.49Å; Y395-R399 VanDerWaalsContact O-CG 3.29Å; Y395-R399 WeakPolarHBondContact O-CG 3.22Å; Y395-R399 PolarHBondContact O-N 2.91Å; Y395-Y453 AromaticContact CD1-CD1 3.84Å; Y395-Y453 HydrophobicContact CD1-CD1 3.84Å; Y395-Y453 HydrophobicContact CD1-CE1 4.31Å; Y395-Y453 HydrophobicContact CE1-CD1 4.45Å; Y395-Y453 HydrophobicContact CG-CD1 4.34Å; Y395-L456 HydrophobicContact CD2-CB 3.9Å; Y395-L456 HydrophobicContact CE1-CD1 4.45Å; Y395-L456 HydrophobicContact CE2-CB 3.49Å; Y395-L456 VanDerWaalsContact CE2-CB 3.49Å; Y395-L456 WeakPolarHBondContact CE2-O 3.42Å; Y395-L457 HydrophobicContact CD2-CB 4.35Å; Y395-F473 HydrophobicContact CE1-CE2 4.3Å |
| 396 | L | 95.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 24.6 Ų | 24.6 | 24% | 0.241 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 179.7 | -67.4 | 177.4 | 0 | 0 | 0 | 111.9 | V346 E392 R399 A400 | V346-L396 HydrophobicContact CG1-CB 4.24Å; E392-L396 HydrophobicContact CG-CD1 3.78Å; E392-L396 HydrophobicContact CG-CG 4.25Å; E392-L396 WeakPolarHBondContact O-CG 3.13Å; E392-L396 PolarHBondContact O-N 3.22Å; L396-R399 PolarHBondContact O-N 3.44Å; L396-A400 VanDerWaalsContact O-CB 3.31Å; L396-A400 WeakPolarHBondContact O-CB 3.46Å; L396-A400 PolarHBondContact O-N 2.74Å |
| 397 | L | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 172.8 | -82.4 | 163.9 | 0 | 0 | 0 | 112.8 | P342 V346 A352 V353 H356 S393 Y395 A400 T401 Y406 | P342-L397 HydrophobicContact CB-CD1 4.08Å; V346-L397 HydrophobicContact CG1-CD2 4.24Å; V346-L397 HydrophobicContact CG1-CG 4.31Å; A352-L397 HydrophobicContact CB-CD2 3.79Å; V353-L397 HydrophobicContact CG2-CD2 4.49Å; H356-L397 HydrophobicContact CB-CD1 3.48Å; H356-L397 VanDerWaalsContact CB-CD1 3.48Å; S393-L397 WeakPolarHBondContact O-CB 3.23Å; S393-L397 WeakPolarHBondContact O-CG 3.35Å; S393-L397 PolarHBondContact O-N 3.4Å; Y395-L397 PolarHBondContact O-N 2.93Å; L397-A400 PolarHBondContact O-N 2.78Å; L397-T401 WeakPolarHBondContact O-CB 3.31Å; L397-T401 WeakPolarHBondContact O-CG2 3.3Å; L397-T401 PolarHBondContact O-N 2.98Å; L397-T401 PolarHBondContact O-OG1 2.95Å; L397-Y406 HydrophobicContact CB-CD1 4.05Å; L397-Y406 HydrophobicContact CB-CD2 4.29Å; L397-Y406 HydrophobicContact CB-CE1 3.63Å; L397-Y406 HydrophobicContact CB-CE2 3.91Å; L397-Y406 HydrophobicContact CB-CG 4.37Å; L397-Y406 HydrophobicContact CD1-CE1 3.8Å; L397-Y406 HydrophobicContact CG-CE1 4.27Å |
| 398 | Y | 95.2 | Very high | 94.6 | Very high | 49 Ų | 49 | 25.9 Ų | 25.9 | 19% | 0.192 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 172.9 | 178.1 | -112.2 | 0 | 0 | 0 | 111.6 | T394 Y395 A400 T401 E402 D403 L407 L457 | T394-Y398 WeakPolarHBondContact O-CB 3.34Å; T394-Y398 PolarHBondContact O-N 2.7Å; Y395-Y398 WeakPolarHBondContact O-CB 3.42Å; Y395-Y398 PolarHBondContact O-N 3.39Å; Y398-A400 VanDerWaalsContact C-N 3.31Å; Y398-A400 PolarHBondContact O-N 2.83Å; Y398-T401 PolarHBondContact O-N 3Å; Y398-E402 WeakPolarHBondContact O-CA 3.46Å; Y398-E402 PolarHBondContact O-N 2.97Å; Y398-D403 WeakPolarHBondContact CD2-O 3.44Å; Y398-L407 HydrophobicContact CD1-CD2 4.47Å; Y398-L407 HydrophobicContact CD2-CD2 4.24Å; Y398-L407 HydrophobicContact CD2-CG 4.15Å; Y398-L407 HydrophobicContact CE1-CD2 4.11Å; Y398-L407 HydrophobicContact CE2-CD1 3.94Å; Y398-L407 HydrophobicContact CE2-CD2 3.87Å; Y398-L407 HydrophobicContact CE2-CG 3.71Å; Y398-L457 HydrophobicContact CD1-CD1 3.61Å; Y398-L457 HydrophobicContact CD2-CD1 4.46Å; Y398-L457 HydrophobicContact CE1-CD1 4.41Å; Y398-L457 HydrophobicContact CG-CD1 3.64Å |
| 399 | R | 92.1 | Very high | 94.5 | Very high | 94 Ų | 94 | 25.8 Ų | 25.8 | 36% | 0.355 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 176 | -68.5 | -69.4 | -63.8 | -178.3 | 4.2 | 112.2 | Y395 L396 D469 | Y395-R399 HydrophobicContact CD1-CG 4.5Å; Y395-R399 HydrophobicContact CD2-CG 4.07Å; Y395-R399 HydrophobicContact CE1-CG 4.1Å; Y395-R399 HydrophobicContact CE2-CG 3.62Å; Y395-R399 HydrophobicContact CG-CG 4.49Å; Y395-R399 VanDerWaalsContact O-CG 3.29Å; Y395-R399 WeakPolarHBondContact O-CG 3.22Å; Y395-R399 PolarHBondContact O-N 2.91Å; L396-R399 PolarHBondContact O-N 3.44Å; R399-D469 IonicContact CZ-OD1 3.52Å; R399-D469 IonicContact CZ-OD2 3.5Å; R399-D469 IonicContact NH2-OD1 2.59Å; R399-D469 PolarHBondContact NH2-OD1 3.05Å; R399-D469 IonicContact NH2-OD2 3.38Å; R399-D469 PolarHBondContact NH2-OD2 2.86Å |
| 400 | A | 89.1 | Confident | 94.4 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 28% | 0.281 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -77.9 | -28.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V346 L396 L397 Y398 | V346-A400 HydrophobicContact CB-CB 3.94Å; V346-A400 HydrophobicContact CG1-CB 4.03Å; L396-A400 VanDerWaalsContact O-CB 3.31Å; L396-A400 WeakPolarHBondContact O-CB 3.46Å; L396-A400 PolarHBondContact O-N 2.74Å; L397-A400 PolarHBondContact O-N 2.78Å; Y398-A400 VanDerWaalsContact C-N 3.31Å; Y398-A400 PolarHBondContact O-N 2.83Å |
| 401 | T | 87.6 | Confident | 94.4 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -115.9 | -17.4 | -170.4 | 63.9 | 0 | 0 | 0 | 0 | 115.1 | V349 L397 Y398 D403 Y406 I637 | V349-T401 HydrophobicContact CG1-CG2 3.9Å; L397-T401 WeakPolarHBondContact O-CB 3.31Å; L397-T401 WeakPolarHBondContact O-CG2 3.3Å; L397-T401 PolarHBondContact O-N 2.98Å; L397-T401 PolarHBondContact O-OG1 2.95Å; Y398-T401 PolarHBondContact O-N 3Å; T401-D403 PolarHBondContact O-N 3.01Å; T401-D403 VanDerWaalsContact O-N 3.13Å; T401-D403 WeakPolarHBondContact OG1-CB 3.24Å; T401-D403 PolarHBondContact OG1-N 3.3Å; T401-Y406 WeakPolarHBondContact OG1-CE2 3.34Å; T401-I637 HydrophobicContact CG2-CD1 3.94Å |
| 402 | E | 89.7 | Confident | 94.3 | Very high | 59 Ų | 59 | 30 Ų | 30 | 28% | 0.276 | 15% | 0.145 | S | C | . | . | trans | 49.7 | 24.1 | -165.3 | -57.4 | -167 | -149.8 | 0 | 0 | 114.5 | Y398 P404 R616 K630 W634 | Y398-E402 WeakPolarHBondContact O-CA 3.46Å; Y398-E402 PolarHBondContact O-N 2.97Å; E402-P404 WeakPolarHBondContact O-CD 3.38Å; E402-R616 VanDerWaalsContact CD-NH2 3.27Å; E402-R616 IonicContact OE1-CZ 3.35Å; E402-R616 IonicContact OE1-NE 2.76Å; E402-R616 PolarHBondContact OE1-NE 3.27Å; E402-R616 IonicContact OE1-NH2 3.13Å; E402-R616 PolarHBondContact OE1-NH2 3.35Å; E402-R616 VanDerWaalsContact OE1-NH2 3.13Å; E402-R616 IonicContact OE2-CZ 3.55Å; E402-R616 IonicContact OE2-NE 3.63Å; E402-R616 IonicContact OE2-NH2 2.67Å; E402-R616 PolarHBondContact OE2-NH2 2.86Å; E402-K630 WeakPolarHBondContact OE2-CE 3.38Å; E402-K630 IonicContact OE2-NZ 2.82Å; E402-K630 PolarHBondContact OE2-NZ 3.12Å; E402-W634 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 403 | D | 89.5 | Confident | 94.3 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | trans | -79 | 117.2 | -176.8 | 178.6 | -1.3 | 0 | 0 | 0 | 111.8 | Y398 T401 Y405 Y406 R641 | Y398-D403 WeakPolarHBondContact CD2-O 3.44Å; T401-D403 PolarHBondContact O-N 3.01Å; T401-D403 VanDerWaalsContact O-N 3.13Å; T401-D403 WeakPolarHBondContact OG1-CB 3.24Å; T401-D403 PolarHBondContact OG1-N 3.3Å; D403-Y405 PolarHBondContact O-N 2.91Å; D403-Y405 WeakPolarHBondContact OD1-CB 3.33Å; D403-Y405 PolarHBondContact OD1-N 3.24Å; D403-Y406 HydrophobicContact CB-CD2 3.85Å; D403-Y406 HydrophobicContact CB-CE2 3.91Å; D403-Y406 WeakPolarHBondContact O-CD2 3.26Å; D403-Y406 PolarHBondContact O-N 2.93Å; D403-Y406 VanDerWaalsContact O-N 3.12Å; D403-R641 IonicContact OD2-CZ 2.66Å; D403-R641 IonicContact OD2-NH1 2.7Å; D403-R641 PolarHBondContact OD2-NH1 3.31Å; D403-R641 IonicContact OD2-NH2 3.69Å; D403-R641 PolarHBondContact OD2-NH2 3.05Å | ||
| 404 | P | 90.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 29.8 Ų | 29.8 | 34% | 0.344 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.8 | -179.1 | 29 | -36.6 | 0 | 0 | 0 | 113.7 | E402 Y406 L407 K408 W634 | E402-P404 WeakPolarHBondContact O-CD 3.38Å; P404-Y406 VanDerWaalsContact C-N 3.27Å; P404-Y406 PolarHBondContact O-N 3.38Å; P404-L407 HydrophobicContact CB-CD1 4.46Å; P404-L407 WeakPolarHBondContact O-CB 3.38Å; P404-L407 PolarHBondContact O-N 3.45Å; P404-K408 PolarHBondContact O-N 3.05Å; P404-W634 HydrophobicContact CG-CH2 4.22Å; P404-W634 HydrophobicContact CG-CZ2 4.37Å; P404-W634 HydrophobicContact CG-CZ3 4.45Å |
| 405 | Y | 91 | Very high | 94.3 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.6 | -41.1 | 168 | 178.7 | -106.7 | 0 | 0 | 0 | 112.6 | E357 Y360 D403 L407 K408 V409 R645 | E357-Y405 PolarHBondContact OE1-OH 3.31Å; E357-Y405 WeakPolarHBondContact OE2-CE1 3.27Å; E357-Y405 PolarHBondContact OE2-OH 2.77Å; Y360-Y405 WeakPolarHBondContact CD1-OH 3.37Å; Y360-Y405 WeakPolarHBondContact CE1-OH 3.47Å; D403-Y405 PolarHBondContact O-N 2.91Å; D403-Y405 WeakPolarHBondContact OD1-CB 3.33Å; D403-Y405 PolarHBondContact OD1-N 3.24Å; Y405-L407 PolarHBondContact O-N 3.26Å; Y405-K408 WeakPolarHBondContact O-CA 3.5Å; Y405-K408 WeakPolarHBondContact O-CB 3.29Å; Y405-K408 PolarHBondContact O-N 2.99Å; Y405-V409 HydrophobicContact CD1-CG2 3.97Å; Y405-V409 HydrophobicContact CE1-CG2 3.57Å; Y405-V409 HydrophobicContact CE2-CG2 4.45Å; Y405-V409 PolarHBondContact O-N 2.79Å; Y405-R645 VanDerWaalsContact CZ-NH2 3.26Å; Y405-R645 PolarHBondContact OH-NH2 3.35Å |
| 406 | Y | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -26.8 | -179.1 | -65.8 | -69.4 | 0 | 0 | 0 | 112.8 | H356 T394 L397 T401 D403 P404 K408 V409 G410 R641 | H356-Y406 AromaticContact CE1-CD1 3.76Å; H356-Y406 AromaticContact CE1-CE1 3.58Å; H356-Y406 AromaticContact ND1-CE1 3.47Å; H356-Y406 WeakPolarHBondContact ND1-CE1 3.5Å; T394-Y406 HydrophobicContact CG2-CD1 4.17Å; T394-Y406 WeakPolarHBondContact CG2-O 3.49Å; L397-Y406 HydrophobicContact CB-CD1 4.05Å; L397-Y406 HydrophobicContact CB-CD2 4.29Å; L397-Y406 HydrophobicContact CB-CE1 3.63Å; L397-Y406 HydrophobicContact CB-CE2 3.91Å; L397-Y406 HydrophobicContact CB-CG 4.37Å; L397-Y406 HydrophobicContact CD1-CE1 3.8Å; L397-Y406 HydrophobicContact CG-CE1 4.27Å; T401-Y406 WeakPolarHBondContact OG1-CE2 3.34Å; D403-Y406 HydrophobicContact CB-CD2 3.85Å; D403-Y406 HydrophobicContact CB-CE2 3.91Å; D403-Y406 WeakPolarHBondContact O-CD2 3.26Å; D403-Y406 PolarHBondContact O-N 2.93Å; D403-Y406 VanDerWaalsContact O-N 3.12Å; P404-Y406 VanDerWaalsContact C-N 3.27Å; P404-Y406 PolarHBondContact O-N 3.38Å; Y406-K408 VanDerWaalsContact C-N 3.32Å; Y406-V409 PolarHBondContact O-N 2.8Å; Y406-G410 PolarHBondContact O-N 3.08Å; Y406-R641 PolarHBondContact OH-NH2 3.28Å |
| 407 | L | 96.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -35.8 | 170.7 | -60 | 174.8 | 0 | 0 | 0 | 111.5 | V29 K31 Y398 P404 Y405 E411 L457 F458 | V29-L407 HydrophobicContact CB-CB 4.02Å; V29-L407 HydrophobicContact CG1-CB 3.95Å; V29-L407 HydrophobicContact CG2-CB 4.06Å; K31-L407 HydrophobicContact CD-CD1 4.04Å; K31-L407 HydrophobicContact CD-CD2 4.17Å; K31-L407 HydrophobicContact CG-CD1 4.11Å; K31-L407 HydrophobicContact CG-CD2 4.23Å; Y398-L407 HydrophobicContact CD1-CD2 4.47Å; Y398-L407 HydrophobicContact CD2-CD2 4.24Å; Y398-L407 HydrophobicContact CD2-CG 4.15Å; Y398-L407 HydrophobicContact CE1-CD2 4.11Å; Y398-L407 HydrophobicContact CE2-CD1 3.94Å; Y398-L407 HydrophobicContact CE2-CD2 3.87Å; Y398-L407 HydrophobicContact CE2-CG 3.71Å; P404-L407 HydrophobicContact CB-CD1 4.46Å; P404-L407 WeakPolarHBondContact O-CB 3.38Å; P404-L407 PolarHBondContact O-N 3.45Å; Y405-L407 PolarHBondContact O-N 3.26Å; L407-E411 WeakPolarHBondContact O-CB 3.4Å; L407-E411 PolarHBondContact O-N 3.1Å; L407-L457 HydrophobicContact CD2-CD1 3.88Å; L407-L457 HydrophobicContact CD2-CG 4.1Å; L407-L457 WeakPolarHBondContact CD2-O 3.27Å; L407-F458 HydrophobicContact CD2-CD1 4.22Å; L407-F458 HydrophobicContact CD2-CE1 4.28Å |
| 408 | K | 95.1 | Very high | 94.6 | Very high | 73 Ų | 73 | 32.7 Ų | 32.7 | 32% | 0.317 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -72.6 | -35.7 | 175 | -63.6 | -174.9 | 179.1 | -168.6 | 0 | 112.6 | S26 E27 V29 P404 Y405 Y406 E411 Q412 | S26-K408 WeakPolarHBondContact OG-CE 3.1Å; S26-K408 PolarHBondContact OG-NZ 3.26Å; E27-K408 WeakPolarHBondContact O-CE 3.48Å; V29-K408 HydrophobicContact CG2-CB 4.39Å; V29-K408 HydrophobicContact CG2-CD 4.39Å; V29-K408 HydrophobicContact CG2-CG 3.36Å; P404-K408 PolarHBondContact O-N 3.05Å; Y405-K408 WeakPolarHBondContact O-CA 3.5Å; Y405-K408 WeakPolarHBondContact O-CB 3.29Å; Y405-K408 PolarHBondContact O-N 2.99Å; Y406-K408 VanDerWaalsContact C-N 3.32Å; K408-E411 PolarHBondContact O-N 3.44Å; K408-Q412 WeakPolarHBondContact O-CB 3.17Å; K408-Q412 PolarHBondContact O-N 3.11Å |
| 409 | V | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 170.9 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | Y360 T394 Y405 Y406 E411 Q412 I413 | Y360-V409 HydrophobicContact CD1-CG2 3.87Å; Y360-V409 HydrophobicContact CD2-CB 4.37Å; Y360-V409 HydrophobicContact CD2-CG1 3.64Å; Y360-V409 HydrophobicContact CD2-CG2 4.22Å; Y360-V409 HydrophobicContact CE1-CG2 3.8Å; Y360-V409 HydrophobicContact CE2-CB 4.26Å; Y360-V409 HydrophobicContact CE2-CG1 3.9Å; Y360-V409 HydrophobicContact CE2-CG2 4.17Å; Y360-V409 HydrophobicContact CG-CG1 4.06Å; Y360-V409 HydrophobicContact CG-CG2 4.06Å; T394-V409 HydrophobicContact CG2-CB 4.09Å; T394-V409 HydrophobicContact CG2-CG1 3.85Å; Y405-V409 HydrophobicContact CD1-CG2 3.97Å; Y405-V409 HydrophobicContact CE1-CG2 3.57Å; Y405-V409 HydrophobicContact CE2-CG2 4.45Å; Y405-V409 PolarHBondContact O-N 2.79Å; Y406-V409 PolarHBondContact O-N 2.8Å; V409-E411 PolarHBondContact O-N 3.46Å; V409-Q412 PolarHBondContact O-N 3Å; V409-I413 HydrophobicContact CG1-CD1 3.87Å; V409-I413 WeakPolarHBondContact O-CG1 3.47Å; V409-I413 PolarHBondContact O-N 2.92Å |
| 410 | G | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y406 Q412 I413 V414 | Y406-G410 PolarHBondContact O-N 3.08Å; G410-Q412 VanDerWaalsContact C-N 3.32Å; G410-Q412 PolarHBondContact O-N 2.99Å; G410-I413 PolarHBondContact O-N 2.99Å; G410-V414 WeakPolarHBondContact O-CG2 3.42Å; G410-V414 PolarHBondContact O-N 3.19Å |
| 411 | E | 97.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 33.3 Ų | 33.3 | 27% | 0.271 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 177.6 | -179.7 | 163 | -131.8 | 0 | 0 | 111.8 | V29 L34 L407 K408 V409 N415 | V29-E411 HydrophobicContact CG1-CB 4.34Å; L34-E411 HydrophobicContact CD1-CB 3.66Å; L34-E411 HydrophobicContact CD1-CG 3.81Å; L34-E411 HydrophobicContact CD2-CG 4.17Å; L407-E411 WeakPolarHBondContact O-CB 3.4Å; L407-E411 PolarHBondContact O-N 3.1Å; K408-E411 PolarHBondContact O-N 3.44Å; V409-E411 PolarHBondContact O-N 3.46Å; E411-N415 WeakPolarHBondContact O-CB 3.35Å; E411-N415 PolarHBondContact O-N 3.09Å; E411-N415 PolarHBondContact O-ND2 3.5Å |
| 412 | Q | 96.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 172.9 | -176.1 | 60.1 | 50.6 | 0 | 0 | 111.3 | Y360 K408 V409 G410 V414 N415 D416 | Y360-Q412 HydrophobicContact CE2-CB 4.15Å; Y360-Q412 HydrophobicContact CE2-CG 4.07Å; K408-Q412 WeakPolarHBondContact O-CB 3.17Å; K408-Q412 PolarHBondContact O-N 3.11Å; V409-Q412 PolarHBondContact O-N 3Å; G410-Q412 VanDerWaalsContact C-N 3.32Å; G410-Q412 PolarHBondContact O-N 2.99Å; Q412-V414 PolarHBondContact O-N 2.72Å; Q412-N415 WeakPolarHBondContact O-CB 3.45Å; Q412-N415 PolarHBondContact O-N 2.63Å; Q412-N415 VanDerWaalsContact O-N 3.15Å; Q412-D416 WeakPolarHBondContact CG-OD2 3.26Å; Q412-D416 PolarHBondContact NE2-OD1 3.28Å; Q412-D416 PolarHBondContact NE2-OD2 3.29Å; Q412-D416 PolarHBondContact O-N 3.04Å |
| 413 | I | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.9 | -67.5 | 165.8 | 0 | 0 | 0 | 111.6 | L390 I391 V409 G410 N415 D416 L417 L454 | L390-I413 HydrophobicContact CD2-CD1 4.39Å; L390-I413 HydrophobicContact CG-CD1 4.34Å; I391-I413 HydrophobicContact CD1-CD1 3.91Å; V409-I413 HydrophobicContact CG1-CD1 3.87Å; V409-I413 WeakPolarHBondContact O-CG1 3.47Å; V409-I413 PolarHBondContact O-N 2.92Å; G410-I413 PolarHBondContact O-N 2.99Å; I413-N415 PolarHBondContact O-N 2.83Å; I413-D416 PolarHBondContact O-N 3.31Å; I413-L417 HydrophobicContact CG2-CD1 3.88Å; I413-L417 HydrophobicContact CG2-CG 4.34Å; I413-L417 WeakPolarHBondContact O-CB 3.42Å; I413-L417 WeakPolarHBondContact O-CG 3.48Å; I413-L417 PolarHBondContact O-N 3.4Å; I413-L454 HydrophobicContact CG2-CD2 4.26Å |
| 414 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 173 | 169.8 | 0 | 0 | 0 | 0 | 111 | L34 R37 V38 M41 G410 Q412 D416 E418 L454 F458 | L34-V414 HydrophobicContact CD2-CG1 4.44Å; R37-V414 HydrophobicContact CG-CG1 4.23Å; V38-V414 HydrophobicContact CG2-CG2 3.61Å; M41-V414 HydrophobicContact SD-CG1 3.87Å; G410-V414 WeakPolarHBondContact O-CG2 3.42Å; G410-V414 PolarHBondContact O-N 3.19Å; Q412-V414 PolarHBondContact O-N 2.72Å; V414-D416 PolarHBondContact O-N 3.18Å; V414-E418 WeakPolarHBondContact O-CB 3.33Å; V414-E418 WeakPolarHBondContact O-CG 3.48Å; V414-E418 PolarHBondContact O-N 3.29Å; V414-L454 HydrophobicContact CG2-CD1 4.36Å; V414-L454 HydrophobicContact CG2-CD2 3.73Å; V414-F458 HydrophobicContact CG2-CE2 3.79Å; V414-F458 HydrophobicContact CG2-CZ 4.4Å |
| 415 | N | 97.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 179.8 | -77.3 | -52.5 | 0 | 0 | 0 | 112.5 | R37 E411 Q412 I413 K419 | R37-N415 PolarHBondContact NH1-OD1 3.05Å; R37-N415 PolarHBondContact NH2-OD1 3.5Å; R37-N415 VanDerWaalsContact NH2-OD1 3.12Å; E411-N415 WeakPolarHBondContact O-CB 3.35Å; E411-N415 PolarHBondContact O-N 3.09Å; E411-N415 PolarHBondContact O-ND2 3.5Å; Q412-N415 WeakPolarHBondContact O-CB 3.45Å; Q412-N415 PolarHBondContact O-N 2.63Å; Q412-N415 VanDerWaalsContact O-N 3.15Å; I413-N415 PolarHBondContact O-N 2.83Å; N415-K419 WeakPolarHBondContact O-CB 3.37Å; N415-K419 PolarHBondContact O-N 2.82Å |
| 416 | D | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.5 | -44.7 | -179.8 | -69.6 | -36.9 | 0 | 0 | 0 | 112 | H363 K367 L368 Q412 I413 V414 K419 Y420 | H363-D416 IonicContact CD2-OD2 3.83Å; H363-D416 IonicContact CE1-OD2 2.79Å; H363-D416 IonicContact NE2-OD2 2.94Å; H363-D416 PolarHBondContact NE2-OD2 3.29Å; K367-D416 VanDerWaalsContact O-CB 3.29Å; K367-D416 WeakPolarHBondContact O-CB 3.45Å; K367-D416 VanDerWaalsContact O-CG 3.23Å; L368-D416 HydrophobicContact CD2-CB 4.09Å; Q412-D416 WeakPolarHBondContact CG-OD2 3.26Å; Q412-D416 PolarHBondContact NE2-OD1 3.28Å; Q412-D416 PolarHBondContact NE2-OD2 3.29Å; Q412-D416 PolarHBondContact O-N 3.04Å; I413-D416 PolarHBondContact O-N 3.31Å; V414-D416 PolarHBondContact O-N 3.18Å; D416-K419 PolarHBondContact O-N 2.72Å; D416-Y420 HydrophobicContact CB-CD2 4.16Å; D416-Y420 WeakPolarHBondContact O-CB 3.42Å; D416-Y420 VanDerWaalsContact O-CD2 3.27Å; D416-Y420 WeakPolarHBondContact O-CD2 3.26Å; D416-Y420 PolarHBondContact O-N 3Å |
| 417 | L | 98.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 175.4 | -69.4 | 172.2 | 0 | 0 | 0 | 111.2 | M41 L368 L386 I413 K419 T421 R422 T450 L454 | M41-L417 HydrophobicContact CE-CB 4.11Å; L368-L417 HydrophobicContact CD2-CD2 4.27Å; L386-L417 HydrophobicContact CD2-CD2 3.74Å; I413-L417 HydrophobicContact CG2-CD1 3.88Å; I413-L417 HydrophobicContact CG2-CG 4.34Å; I413-L417 WeakPolarHBondContact O-CB 3.42Å; I413-L417 WeakPolarHBondContact O-CG 3.48Å; I413-L417 PolarHBondContact O-N 3.4Å; L417-K419 VanDerWaalsContact C-N 3.28Å; L417-K419 PolarHBondContact O-N 3.09Å; L417-T421 HydrophobicContact CD2-CG2 4.46Å; L417-T421 WeakPolarHBondContact O-CA 3.49Å; L417-T421 PolarHBondContact O-N 2.84Å; L417-T421 PolarHBondContact O-OG1 3.44Å; L417-R422 PolarHBondContact O-N 3.5Å; L417-T450 HydrophobicContact CD1-CG2 4.19Å; L417-L454 HydrophobicContact CD1-CD1 3.93Å |
| 418 | E | 97.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -36.9 | 176.6 | -79.9 | -131.6 | 100.2 | 0 | 0 | 113.9 | R37 M41 V414 R422 | R37-E418 IonicContact CZ-OE2 2.83Å; R37-E418 IonicContact NE-OE2 2.66Å; R37-E418 PolarHBondContact NE-OE2 2.87Å; R37-E418 IonicContact NH2-OE2 3.68Å; R37-E418 PolarHBondContact NH2-OE2 2.8Å; M41-E418 HydrophobicContact CE-CG 3.74Å; M41-E418 HydrophobicContact CG-CG 3.98Å; M41-E418 HydrophobicContact SD-CG 3.62Å; V414-E418 WeakPolarHBondContact O-CB 3.33Å; V414-E418 WeakPolarHBondContact O-CG 3.48Å; V414-E418 PolarHBondContact O-N 3.29Å; E418-R422 VanDerWaalsContact O-CB 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.42Å; E418-R422 IonicContact OE1-CZ 2.68Å; E418-R422 IonicContact OE1-NH1 2.72Å; E418-R422 PolarHBondContact OE1-NH1 3.27Å |
| 419 | K | 97.8 | Very high | 97.7 | Very high | 143 Ų | 143 | 30.9 Ų | 30.9 | 62% | 0.622 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -81.6 | -36.5 | -175 | -179.7 | -178.1 | 176 | -163 | 0 | 113.3 | N415 D416 L417 | N415-K419 WeakPolarHBondContact O-CB 3.37Å; N415-K419 PolarHBondContact O-N 2.82Å; D416-K419 PolarHBondContact O-N 2.72Å; L417-K419 VanDerWaalsContact C-N 3.28Å; L417-K419 PolarHBondContact O-N 3.09Å |
| 420 | Y | 98 | Very high | 97.8 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 18% | 0.184 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -105.1 | -27.9 | -171.8 | -65.9 | -67.6 | 0 | 0 | 0 | 113.3 | K367 D416 M436 H438 | K367-Y420 HydrophobicContact CB-CD2 3.97Å; K367-Y420 HydrophobicContact CB-CE2 3.45Å; K367-Y420 VanDerWaalsContact CB-CE2 3.45Å; K367-Y420 HydrophobicContact CD-CE1 4.16Å; K367-Y420 HydrophobicContact CD-CE2 4.38Å; K367-Y420 HydrophobicContact CG-CE2 3.98Å; D416-Y420 HydrophobicContact CB-CD2 4.16Å; D416-Y420 WeakPolarHBondContact O-CB 3.42Å; D416-Y420 VanDerWaalsContact O-CD2 3.27Å; D416-Y420 WeakPolarHBondContact O-CD2 3.26Å; D416-Y420 PolarHBondContact O-N 3Å; Y420-M436 HydrophobicContact CD1-CE 4.15Å; Y420-M436 HydrophobicContact CD1-CG 3.94Å; Y420-M436 HydrophobicContact CD1-SD 4.14Å; Y420-M436 HydrophobicContact CE1-CG 4.43Å; Y420-M436 HydrophobicContact CG-CE 4.14Å; Y420-M436 HydrophobicContact CG-SD 4.29Å; Y420-H438 PolarHBondContact O-NE2 2.73Å |
| 421 | T | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -9.9 | -169.7 | 74.3 | 0 | 0 | 0 | 0 | 115.1 | L368 L386 L417 F427 A428 I430 | L368-T421 HydrophobicContact CD1-CG2 3.7Å; L368-T421 HydrophobicContact CD2-CG2 4.49Å; L386-T421 HydrophobicContact CD2-CG2 3.66Å; L386-T421 VanDerWaalsContact CD2-OG1 3.24Å; L386-T421 WeakPolarHBondContact CD2-OG1 3.32Å; L417-T421 HydrophobicContact CD2-CG2 4.46Å; L417-T421 WeakPolarHBondContact O-CA 3.49Å; L417-T421 PolarHBondContact O-N 2.84Å; L417-T421 PolarHBondContact O-OG1 3.44Å; T421-F427 CarbonylContact O-C 3.57Å; T421-F427 VanDerWaalsContact O-CA 3.27Å; T421-F427 WeakPolarHBondContact O-CA 3.16Å; T421-A428 WeakPolarHBondContact CB-O 3.45Å; T421-A428 PolarHBondContact O-N 2.94Å; T421-I430 HydrophobicContact CG2-CD1 4.26Å; T421-I430 HydrophobicContact CG2-CG1 3.79Å |
| 422 | R | 98.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 25% | 0.249 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.5 | 174.9 | -165.1 | 172.3 | -178.5 | 150.2 | 2.6 | 112 | E40 H44 L417 E418 F427 | E40-R422 IonicContact OE1-CZ 3.13Å; E40-R422 IonicContact OE1-NH1 2.74Å; E40-R422 IonicContact OE1-NH2 2.69Å; E40-R422 PolarHBondContact OE1-NH2 3.21Å; E40-R422 IonicContact OE2-CZ 3.16Å; E40-R422 IonicContact OE2-NH1 3.74Å; E40-R422 PolarHBondContact OE2-NH1 2.88Å; E40-R422 IonicContact OE2-NH2 2.74Å; E40-R422 PolarHBondContact OE2-NH2 3.28Å; H44-R422 VanDerWaalsContact CB-NH2 3.28Å; H44-R422 PolarHBondContact CD2-NE 3.01Å; H44-R422 PolarHBondContact ND1-NH2 2.89Å; H44-R422 VanDerWaalsContact ND1-NH2 3.13Å; L417-R422 PolarHBondContact O-N 3.5Å; E418-R422 VanDerWaalsContact O-CB 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.42Å; E418-R422 IonicContact OE1-CZ 2.68Å; E418-R422 IonicContact OE1-NH1 2.72Å; E418-R422 PolarHBondContact OE1-NH1 3.27Å; R422-F427 HydrophobicContact CB-CD1 3.86Å; R422-F427 HydrophobicContact CB-CE1 3.54Å; R422-F427 HydrophobicContact CB-CZ 4.09Å; R422-F427 HydrophobicContact CG-CD1 4.26Å; R422-F427 HydrophobicContact CG-CE1 3.8Å; R422-F427 HydrophobicContact CG-CE2 4.3Å; R422-F427 HydrophobicContact CG-CZ 3.81Å |
| 423 | V | 98.2 | Very high | 97.6 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 9% | 0.085 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 169.1 | 178.9 | -62 | 0 | 0 | 0 | 0 | 110.6 | H44 P61 L62 C425 G426 A428 | H44-V423 PolarHBondContact CE1-O 3.37Å; H44-V423 PolarHBondContact NE2-O 2.94Å; P61-V423 HydrophobicContact CB-CG2 3.81Å; P61-V423 HydrophobicContact CG-CG2 4.48Å; P61-V423 WeakPolarHBondContact O-CG2 3.47Å; L62-V423 HydrophobicContact CD2-CB 4.28Å; L62-V423 HydrophobicContact CD2-CG1 3.83Å; L62-V423 HydrophobicContact CD2-CG2 4.36Å; V423-C425 VanDerWaalsContact C-N 3.31Å; V423-C425 PolarHBondContact O-N 3.35Å; V423-G426 PolarHBondContact N-O 2.87Å; V423-G426 PolarHBondContact O-N 3.13Å; V423-A428 HydrophobicContact CG1-CB 3.86Å; V423-A428 HydrophobicContact CG2-CB 4.04Å |
| 424 | P | 97.8 | Very high | 97.4 | Very high | 116 Ų | 116 | 37.8 Ų | 37.8 | 75% | 0.753 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -39.7 | -175.3 | -28.4 | 37.3 | 0 | 0 | 0 | 114.1 | H44 | H44-P424 PolarHBondContact CE1-O 3.23Å; H44-P424 VanDerWaalsContact CE1-O 3.31Å |
| 425 | C | 97.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 10% | 0.101 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 51.7 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | N48 L59 P61 C64 V423 | N48-C425 WeakPolarHBondContact OD1-CA 3.37Å; L59-C425 WeakPolarHBondContact CD2-O 3.31Å; P61-C425 WeakPolarHBondContact CA-O 3.45Å; P61-C425 VanDerWaalsContact CB-O 3.3Å; P61-C425 WeakPolarHBondContact CB-O 3.3Å; P61-C425 WeakPolarHBondContact O-CB 3.39Å; C64-C425 HydrophobicContact CB-CB 3.83Å; C64-C425 WeakPolarHBondContact CB-SG 3.23Å; C64-C425 WeakPolarHBondContact SG-CB 3.18Å; C64-C425 CovalentContact SG-SG 2.04Å; C64-C425 PolarHBondContact SG-SG 3.5Å; V423-C425 VanDerWaalsContact C-N 3.31Å; V423-C425 PolarHBondContact O-N 3.35Å |
| 426 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.9 | -132.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H44 N48 V423 | H44-G426 PolarHBondContact CD2-O 3.25Å; H44-G426 VanDerWaalsContact CD2-O 3.31Å; H44-G426 WeakPolarHBondContact NE2-CA 3.42Å; H44-G426 PolarHBondContact NE2-N 2.82Å; H44-G426 PolarHBondContact NE2-O 3.09Å; N48-G426 PolarHBondContact ND2-N 3.07Å; V423-G426 PolarHBondContact N-O 2.87Å; V423-G426 PolarHBondContact O-N 3.13Å |
| 427 | F | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.4 | 174.3 | -70.4 | -102.5 | 0 | 0 | 0 | 108.8 | M41 H44 A45 P61 L386 T421 R422 F442 F451 | M41-F427 HydrophobicContact CB-CE2 4.06Å; M41-F427 HydrophobicContact CB-CZ 3.79Å; M41-F427 HydrophobicContact CE-CE1 4.01Å; M41-F427 HydrophobicContact CE-CZ 3.94Å; M41-F427 HydrophobicContact CG-CZ 3.91Å; M41-F427 WeakPolarHBondContact O-CE2 3.38Å; H44-F427 AromaticContact CD2-CE2 3.69Å; A45-F427 HydrophobicContact CB-CD2 4.09Å; P61-F427 VanDerWaalsContact CB-O 3.24Å; P61-F427 WeakPolarHBondContact CB-O 3.35Å; P61-F427 WeakPolarHBondContact CG-O 3.43Å; L386-F427 HydrophobicContact CD1-CB 4.02Å; T421-F427 CarbonylContact O-C 3.57Å; T421-F427 VanDerWaalsContact O-CA 3.27Å; T421-F427 WeakPolarHBondContact O-CA 3.16Å; R422-F427 HydrophobicContact CB-CD1 3.86Å; R422-F427 HydrophobicContact CB-CE1 3.54Å; R422-F427 HydrophobicContact CB-CZ 4.09Å; R422-F427 HydrophobicContact CG-CD1 4.26Å; R422-F427 HydrophobicContact CG-CE1 3.8Å; R422-F427 HydrophobicContact CG-CE2 4.3Å; R422-F427 HydrophobicContact CG-CZ 3.81Å; F427-F442 HydrophobicContact CB-CD2 4.19Å; F427-F442 HydrophobicContact CB-CE2 4.21Å; F427-F442 VanDerWaalsContact O-CD2 3.26Å; F427-F442 WeakPolarHBondContact O-CD2 3.48Å; F427-F451 HydrophobicContact CD1-CZ 4.43Å; F427-F451 HydrophobicContact CD2-CE2 4.2Å; F427-F451 AromaticContact CD2-CZ 3.7Å; F427-F451 HydrophobicContact CD2-CZ 3.7Å; F427-F451 HydrophobicContact CE1-CZ 4.45Å; F427-F451 HydrophobicContact CE2-CE2 4.3Å; F427-F451 AromaticContact CE2-CZ 3.73Å; F427-F451 HydrophobicContact CE2-CZ 3.73Å; F427-F451 HydrophobicContact CG-CZ 4.08Å; F427-F451 HydrophobicContact CZ-CZ 4.13Å |
| 428 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -125.9 | 136.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P61 L62 T421 V423 H438 | P61-A428 HydrophobicContact CG-CB 3.77Å; L62-A428 HydrophobicContact CD2-CB 3.96Å; L62-A428 HydrophobicContact CG-CB 4.39Å; T421-A428 WeakPolarHBondContact CB-O 3.45Å; T421-A428 PolarHBondContact O-N 2.94Å; V423-A428 HydrophobicContact CG1-CB 3.86Å; V423-A428 HydrophobicContact CG2-CB 4.04Å; A428-H438 HydrophobicContact CB-CB 4.13Å | ||
| 429 | A | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -58.9 | 155.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L385 H438 V439 Q441 | L385-A429 HydrophobicContact CD2-CB 4.02Å; A429-H438 CarbonylContact O-C 3.59Å; A429-H438 WeakPolarHBondContact O-CA 3.31Å; A429-V439 HydrophobicContact CB-CB 4.45Å; A429-V439 PolarHBondContact O-N 3.46Å; A429-Q441 HydrophobicContact CB-CB 4.25Å; A429-Q441 HydrophobicContact CB-CG 4.38Å; A429-Q441 PolarHBondContact N-O 3.19Å | ||
| 430 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.9 | 177.5 | -61.8 | -64.6 | 0 | 0 | 0 | 109.9 | L368 Q383 H384 T421 D432 M436 H438 | L368-I430 HydrophobicContact CD1-CG1 3.83Å; Q383-I430 CarbonylContact C-O 3.59Å; Q383-I430 WeakPolarHBondContact CA-O 3.17Å; H384-I430 HydrophobicContact CB-CB 4.26Å; H384-I430 PolarHBondContact N-O 2.87Å; H384-I430 PolarHBondContact O-N 3.12Å; T421-I430 HydrophobicContact CG2-CD1 4.26Å; T421-I430 HydrophobicContact CG2-CG1 3.79Å; I430-D432 VanDerWaalsContact CG2-C 3.46Å; I430-D432 WeakPolarHBondContact CG2-O 3.4Å; I430-M436 HydrophobicContact CD1-SD 4.35Å; I430-M436 HydrophobicContact CG1-SD 4.26Å; I430-M436 HydrophobicContact CG2-SD 3.96Å; I430-H438 VanDerWaalsContact CD1-CD2 3.43Å; I430-H438 WeakPolarHBondContact CD1-CD2 3.5Å |
| 431 | K | 95.7 | Very high | 96.6 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -41 | 178.4 | -170.8 | -170.4 | 178.3 | -172.3 | 0 | 112.1 | Q383 E437 V439 | Q383-K431 WeakPolarHBondContact CA-O 3.48Å; Q383-K431 WeakPolarHBondContact CG-O 3.33Å; Q383-K431 PolarHBondContact N-O 3.39Å; K431-E437 HydrophobicContact CB-CB 4.27Å; K431-E437 WeakPolarHBondContact CB-O 3.28Å; K431-E437 HydrophobicContact CD-CB 4.36Å; K431-E437 HydrophobicContact CD-CG 4.09Å; K431-E437 VanDerWaalsContact CD-OE1 3.27Å; K431-E437 WeakPolarHBondContact CD-OE1 3.36Å; K431-E437 VanDerWaalsContact CD-OE2 3.25Å; K431-E437 WeakPolarHBondContact CD-OE2 3.31Å; K431-E437 PolarHBondContact N-O 3.45Å; K431-E437 IonicContact NZ-OE1 3.48Å; K431-E437 PolarHBondContact NZ-OE1 3.08Å; K431-E437 IonicContact NZ-OE2 2.68Å; K431-E437 PolarHBondContact NZ-OE2 3.4Å; K431-V439 HydrophobicContact CB-CG2 3.61Å; K431-V439 HydrophobicContact CG-CG2 4.27Å |
| 432 | D | 95.4 | Very high | 96.5 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 119.7 | 176.3 | -164.4 | -34.7 | 0 | 0 | 0 | 111.2 | G382 I430 R434 T435 M436 | G382-D432 CarbonylContact O-C 3.35Å; G382-D432 VanDerWaalsContact O-CA 3.23Å; G382-D432 WeakPolarHBondContact O-CA 3.3Å; I430-D432 VanDerWaalsContact CG2-C 3.46Å; I430-D432 WeakPolarHBondContact CG2-O 3.4Å; D432-R434 VanDerWaalsContact CG-NE 3.35Å; D432-R434 PolarHBondContact O-N 3.42Å; D432-R434 VanDerWaalsContact O-N 3.09Å; D432-R434 WeakPolarHBondContact OD1-CB 3.35Å; D432-R434 VanDerWaalsContact OD1-CG 3.23Å; D432-R434 WeakPolarHBondContact OD1-CG 3.32Å; D432-R434 IonicContact OD1-CZ 3.85Å; D432-R434 PolarHBondContact OD1-N 3.28Å; D432-R434 IonicContact OD1-NE 3.29Å; D432-R434 PolarHBondContact OD1-NE 3.12Å; D432-R434 IonicContact OD1-NH2 2.74Å; D432-R434 IonicContact OD2-CZ 3.1Å; D432-R434 IonicContact OD2-NE 2.7Å; D432-R434 PolarHBondContact OD2-NE 2.76Å; D432-R434 IonicContact OD2-NH2 2.68Å; D432-R434 PolarHBondContact OD2-NH2 2.83Å; D432-T435 HydrophobicContact CB-CG2 4.43Å; D432-T435 PolarHBondContact O-N 3.04Å; D432-T435 PolarHBondContact O-OG1 2.84Å; D432-M436 PolarHBondContact O-N 2.7Å |
| 433 | V | 95.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.8 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | N366 L368 P370 V379 G382 H384 M436 | N366-V433 HydrophobicContact CB-CB 4.41Å; N366-V433 HydrophobicContact CB-CG2 3.97Å; L368-V433 HydrophobicContact CB-CG1 3.8Å; P370-V433 HydrophobicContact CB-CG2 3.98Å; V379-V433 HydrophobicContact CG2-CG2 4.02Å; G382-V433 WeakPolarHBondContact O-CG1 3.38Å; G382-V433 PolarHBondContact O-N 3.37Å; H384-V433 HydrophobicContact CB-CG1 3.84Å; V433-M436 HydrophobicContact CB-CE 4.17Å; V433-M436 WeakPolarHBondContact O-CE 3.46Å |
| 434 | R | 93.7 | Very high | 96.2 | Very high | 151 Ų | 151 | 38.8 Ų | 38.8 | 57% | 0.57 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -39.4 | 172.9 | -59.6 | 173.8 | -72.8 | -164.9 | 2.5 | 111.3 | V379 D432 | V379-R434 HydrophobicContact CG2-CG 4.32Å; D432-R434 VanDerWaalsContact CG-NE 3.35Å; D432-R434 PolarHBondContact O-N 3.42Å; D432-R434 VanDerWaalsContact O-N 3.09Å; D432-R434 WeakPolarHBondContact OD1-CB 3.35Å; D432-R434 VanDerWaalsContact OD1-CG 3.23Å; D432-R434 WeakPolarHBondContact OD1-CG 3.32Å; D432-R434 IonicContact OD1-CZ 3.85Å; D432-R434 PolarHBondContact OD1-N 3.28Å; D432-R434 IonicContact OD1-NE 3.29Å; D432-R434 PolarHBondContact OD1-NE 3.12Å; D432-R434 IonicContact OD1-NH2 2.74Å; D432-R434 IonicContact OD2-CZ 3.1Å; D432-R434 IonicContact OD2-NE 2.7Å; D432-R434 PolarHBondContact OD2-NE 2.76Å; D432-R434 IonicContact OD2-NH2 2.68Å; D432-R434 PolarHBondContact OD2-NH2 2.83Å |
| 435 | T | 95.7 | Very high | 96.2 | Very high | 91 Ų | 91 | 33.7 Ų | 33.7 | 56% | 0.558 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -28.4 | -178.3 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | D432 E437 | D432-T435 HydrophobicContact CB-CG2 4.43Å; D432-T435 PolarHBondContact O-N 3.04Å; D432-T435 PolarHBondContact O-OG1 2.84Å; T435-E437 VanDerWaalsContact C-N 3.26Å; T435-E437 PolarHBondContact O-N 2.74Å; T435-E437 WeakPolarHBondContact OG1-CB 3.13Å; T435-E437 PolarHBondContact OG1-N 3.46Å |
| 436 | M | 95.9 | Very high | 96.3 | Very high | 30 Ų | 30 | 33 Ų | 33 | 15% | 0.148 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 33.6 | -167.2 | -62.1 | -63.7 | -175.1 | 0 | 0 | 113.9 | N366 K367 L368 Y420 I430 D432 V433 | N366-M436 WeakPolarHBondContact O-CE 3.21Å; K367-M436 HydrophobicContact CB-CE 3.94Å; K367-M436 HydrophobicContact CD-CE 3.49Å; K367-M436 VanDerWaalsContact CD-CE 3.49Å; K367-M436 HydrophobicContact CG-CE 4.37Å; L368-M436 HydrophobicContact CB-CE 4.35Å; L368-M436 HydrophobicContact CD1-CE 3.86Å; L368-M436 HydrophobicContact CD1-SD 3.89Å; L368-M436 HydrophobicContact CG-CE 3.98Å; Y420-M436 HydrophobicContact CD1-CE 4.15Å; Y420-M436 HydrophobicContact CD1-CG 3.94Å; Y420-M436 HydrophobicContact CD1-SD 4.14Å; Y420-M436 HydrophobicContact CE1-CG 4.43Å; Y420-M436 HydrophobicContact CG-CE 4.14Å; Y420-M436 HydrophobicContact CG-SD 4.29Å; I430-M436 HydrophobicContact CD1-SD 4.35Å; I430-M436 HydrophobicContact CG1-SD 4.26Å; I430-M436 HydrophobicContact CG2-SD 3.96Å; D432-M436 PolarHBondContact O-N 2.7Å; V433-M436 HydrophobicContact CB-CE 4.17Å; V433-M436 WeakPolarHBondContact O-CE 3.46Å |
| 437 | E | 96.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 33 Ų | 33 | 44% | 0.435 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.4 | 169.6 | -173.4 | -174 | 155.6 | 0 | 0 | 110.6 | K431 T435 | K431-E437 HydrophobicContact CB-CB 4.27Å; K431-E437 WeakPolarHBondContact CB-O 3.28Å; K431-E437 HydrophobicContact CD-CB 4.36Å; K431-E437 HydrophobicContact CD-CG 4.09Å; K431-E437 VanDerWaalsContact CD-OE1 3.27Å; K431-E437 WeakPolarHBondContact CD-OE1 3.36Å; K431-E437 VanDerWaalsContact CD-OE2 3.25Å; K431-E437 WeakPolarHBondContact CD-OE2 3.31Å; K431-E437 PolarHBondContact N-O 3.45Å; K431-E437 IonicContact NZ-OE1 3.48Å; K431-E437 PolarHBondContact NZ-OE1 3.08Å; K431-E437 IonicContact NZ-OE2 2.68Å; K431-E437 PolarHBondContact NZ-OE2 3.4Å; T435-E437 VanDerWaalsContact C-N 3.26Å; T435-E437 PolarHBondContact O-N 2.74Å; T435-E437 WeakPolarHBondContact OG1-CB 3.13Å; T435-E437 PolarHBondContact OG1-N 3.46Å |
| 438 | H | 97.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 33 Ų | 33 | 32% | 0.324 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 145.8 | 175.6 | -63.5 | 115 | 0 | 0 | 0 | 112.8 | L62 Y420 A428 A429 I430 | L62-H438 HydrophobicContact CD1-CB 3.8Å; L62-H438 HydrophobicContact CD2-CB 3.96Å; L62-H438 HydrophobicContact CG-CB 4.45Å; Y420-H438 PolarHBondContact O-NE2 2.73Å; A428-H438 HydrophobicContact CB-CB 4.13Å; A429-H438 CarbonylContact O-C 3.59Å; A429-H438 WeakPolarHBondContact O-CA 3.31Å; I430-H438 VanDerWaalsContact CD1-CD2 3.43Å; I430-H438 WeakPolarHBondContact CD1-CD2 3.5Å |
| 439 | V | 93.6 | Very high | 96.3 | Very high | 46 Ų | 46 | 33.6 Ų | 33.6 | 28% | 0.279 | 16% | 0.161 | S | C | . | . | trans | -106.1 | 146.7 | 167.8 | -175 | 0 | 0 | 0 | 0 | 109 | A429 K431 Q441 | A429-V439 HydrophobicContact CB-CB 4.45Å; A429-V439 PolarHBondContact O-N 3.46Å; K431-V439 HydrophobicContact CB-CG2 3.61Å; K431-V439 HydrophobicContact CG-CG2 4.27Å; V439-Q441 HydrophobicContact CB-CB 4.38Å; V439-Q441 HydrophobicContact CG1-CB 3.88Å; V439-Q441 PolarHBondContact O-N 3.02Å | ||
| 440 | D | 95.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -77.2 | 57.1 | 176.4 | -160.8 | 20.4 | 0 | 0 | 0 | 111.8 | M60 P61 L62 T63 | M60-D440 WeakPolarHBondContact CA-OD1 3.17Å; M60-D440 WeakPolarHBondContact CB-OD1 3.36Å; P61-D440 WeakPolarHBondContact CD-OD1 3.42Å; P61-D440 VanDerWaalsContact N-OD1 3.09Å; L62-D440 WeakPolarHBondContact CA-OD1 3.49Å; L62-D440 HydrophobicContact CB-CB 4.11Å; L62-D440 WeakPolarHBondContact CB-OD1 3.42Å; L62-D440 HydrophobicContact CD1-CB 4.1Å; L62-D440 HydrophobicContact CG-CB 4.24Å; L62-D440 PolarHBondContact N-OD1 3.14Å; T63-D440 VanDerWaalsContact CB-OD2 3.28Å; T63-D440 WeakPolarHBondContact CB-OD2 3.31Å; T63-D440 WeakPolarHBondContact CG2-OD2 3.38Å; T63-D440 PolarHBondContact N-OD1 2.97Å; T63-D440 PolarHBondContact N-OD2 3.4Å; T63-D440 PolarHBondContact OG1-OD2 2.89Å |
| 441 | Q | 93.6 | Very high | 96.4 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | trans | -139.7 | 128.7 | -173.1 | 175.1 | 168.1 | -4.1 | 0 | 0 | 110.8 | A429 V439 D443 | A429-Q441 HydrophobicContact CB-CB 4.25Å; A429-Q441 HydrophobicContact CB-CG 4.38Å; A429-Q441 PolarHBondContact N-O 3.19Å; V439-Q441 HydrophobicContact CB-CB 4.38Å; V439-Q441 HydrophobicContact CG1-CB 3.88Å; V439-Q441 PolarHBondContact O-N 3.02Å; Q441-D443 WeakPolarHBondContact CG-OD1 3.41Å; Q441-D443 WeakPolarHBondContact CG-OD2 3.38Å; Q441-D443 PolarHBondContact NE2-OD1 2.87Å; Q441-D443 PolarHBondContact NE2-OD2 3.15Å | ||
| 442 | F | 95.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -136.5 | 101.7 | 168.7 | 176.8 | -93.2 | 0 | 0 | 0 | 108.1 | A45 L59 P61 T88 L386 F427 V446 L447 | A45-F442 HydrophobicContact CB-CE2 3.95Å; A45-F442 HydrophobicContact CB-CZ 3.7Å; L59-F442 HydrophobicContact CB-CB 4.21Å; L59-F442 HydrophobicContact CB-CD1 4.01Å; L59-F442 HydrophobicContact CB-CG 4.46Å; L59-F442 HydrophobicContact CD2-CD1 4.36Å; L59-F442 PolarHBondContact O-N 2.85Å; P61-F442 HydrophobicContact CB-CB 4.44Å; P61-F442 HydrophobicContact CG-CB 4.09Å; T88-F442 HydrophobicContact CG2-CE1 4.14Å; L386-F442 HydrophobicContact CD1-CD2 4.31Å; F427-F442 HydrophobicContact CB-CD2 4.19Å; F427-F442 HydrophobicContact CB-CE2 4.21Å; F427-F442 VanDerWaalsContact O-CD2 3.26Å; F427-F442 WeakPolarHBondContact O-CD2 3.48Å; F442-V446 HydrophobicContact CD2-CB 4.3Å; F442-V446 HydrophobicContact CD2-CG1 4.34Å; F442-V446 HydrophobicContact CD2-CG2 4.47Å; F442-V446 HydrophobicContact CE2-CB 3.63Å; F442-V446 HydrophobicContact CE2-CG1 3.52Å; F442-V446 HydrophobicContact CE2-CG2 4.27Å; F442-V446 HydrophobicContact CZ-CB 3.78Å; F442-V446 HydrophobicContact CZ-CG1 4.01Å; F442-L447 HydrophobicContact CE1-CD2 4.42Å; F442-L447 HydrophobicContact CE1-CG 4.02Å; F442-L447 HydrophobicContact CZ-CD2 3.86Å; F442-L447 HydrophobicContact CZ-CG 3.88Å |
| 443 | D | 95.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | trans | -79.8 | 156.6 | -177 | -54.5 | -64 | 0 | 0 | 0 | 111.5 | R75 Q441 F445 V446 | R75-D443 IonicContact CZ-OD1 2.88Å; R75-D443 IonicContact NH1-OD1 2.99Å; R75-D443 PolarHBondContact NH1-OD1 3.45Å; Q441-D443 WeakPolarHBondContact CG-OD1 3.41Å; Q441-D443 WeakPolarHBondContact CG-OD2 3.38Å; Q441-D443 PolarHBondContact NE2-OD1 2.87Å; Q441-D443 PolarHBondContact NE2-OD2 3.15Å; D443-F445 HydrophobicContact CB-CD1 3.97Å; D443-F445 HydrophobicContact CB-CE1 3.4Å; D443-F445 HydrophobicContact CB-CE2 4.33Å; D443-F445 HydrophobicContact CB-CZ 3.59Å; D443-F445 PolarHBondContact O-N 3.07Å; D443-V446 WeakPolarHBondContact O-CG2 3.26Å; D443-V446 PolarHBondContact O-N 3.35Å | ||
| 444 | S | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -36.9 | -168.8 | 65.1 | 0 | 0 | 0 | 0 | 115 | D91 R132 V446 L447 A448 | D91-S444 WeakPolarHBondContact OD2-CB 3Å; D91-S444 PolarHBondContact OD2-OG 3.01Å; R132-S444 WeakPolarHBondContact CD-OG 3.08Å; R132-S444 PolarHBondContact NH1-OG 3.44Å; R132-S444 VanDerWaalsContact NH1-OG 3.11Å; S444-V446 PolarHBondContact O-N 2.7Å; S444-L447 PolarHBondContact O-N 2.7Å; S444-L447 VanDerWaalsContact O-N 3.12Å; S444-A448 PolarHBondContact O-N 3.38Å |
| 445 | F | 97.5 | Very high | 97 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 4% | 0.044 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.6 | -16.4 | 179.8 | 57.1 | -105.9 | 0 | 0 | 0 | 114.3 | D91 L385 R387 D443 L447 A448 E449 T450 E476 | D91-F445 PolarHBondContact OD2-N 3.48Å; L385-F445 HydrophobicContact CB-CZ 4.34Å; L385-F445 WeakPolarHBondContact O-CE2 3.29Å; L385-F445 VanDerWaalsContact O-CZ 3.31Å; L385-F445 WeakPolarHBondContact O-CZ 3.44Å; R387-F445 HydrophobicContact CG-CE2 4.31Å; R387-F445 HydrophobicContact CG-CZ 4.37Å; D443-F445 HydrophobicContact CB-CD1 3.97Å; D443-F445 HydrophobicContact CB-CE1 3.4Å; D443-F445 HydrophobicContact CB-CE2 4.33Å; D443-F445 HydrophobicContact CB-CZ 3.59Å; D443-F445 PolarHBondContact O-N 3.07Å; F445-L447 VanDerWaalsContact C-N 3.27Å; F445-L447 PolarHBondContact O-N 3.5Å; F445-A448 PolarHBondContact O-N 2.96Å; F445-E449 HydrophobicContact CB-CG 4.17Å; F445-E449 WeakPolarHBondContact O-CA 3.47Å; F445-E449 WeakPolarHBondContact O-CB 3.34Å; F445-E449 PolarHBondContact O-N 2.72Å; F445-T450 PolarHBondContact O-N 2.86Å; F445-E476 WeakPolarHBondContact CB-OE1 3.46Å |
| 446 | V | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -66.2 | -34.5 | 177.4 | -171.9 | 0 | 0 | 0 | 0 | 111 | L386 F442 D443 S444 F451 | L386-V446 HydrophobicContact CB-CG1 4.13Å; L386-V446 HydrophobicContact CB-CG2 3.52Å; L386-V446 HydrophobicContact CD1-CG1 4.19Å; L386-V446 HydrophobicContact CD1-CG2 3.98Å; L386-V446 HydrophobicContact CG-CG2 4.38Å; F442-V446 HydrophobicContact CD2-CB 4.3Å; F442-V446 HydrophobicContact CD2-CG1 4.34Å; F442-V446 HydrophobicContact CD2-CG2 4.47Å; F442-V446 HydrophobicContact CE2-CB 3.63Å; F442-V446 HydrophobicContact CE2-CG1 3.52Å; F442-V446 HydrophobicContact CE2-CG2 4.27Å; F442-V446 HydrophobicContact CZ-CB 3.78Å; F442-V446 HydrophobicContact CZ-CG1 4.01Å; D443-V446 WeakPolarHBondContact O-CG2 3.26Å; D443-V446 PolarHBondContact O-N 3.35Å; S444-V446 PolarHBondContact O-N 2.7Å; V446-F451 HydrophobicContact CG1-CD2 4.34Å; V446-F451 HydrophobicContact CG1-CE1 4.37Å; V446-F451 HydrophobicContact CG1-CE2 3.82Å; V446-F451 HydrophobicContact CG1-CZ 3.84Å; V446-F451 VanDerWaalsContact O-CD2 3.27Å; V446-F451 WeakPolarHBondContact O-CD2 3.48Å; V446-F451 WeakPolarHBondContact O-CG 3.13Å; V446-F451 PolarHBondContact O-N 2.88Å; V446-F451 VanDerWaalsContact O-N 3.16Å |
| 447 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -79 | -47.7 | 167.8 | -63.4 | -170.4 | 0 | 0 | 0 | 111.7 | F42 A45 Y46 T88 S95 F442 S444 F445 E449 F451 | F42-L447 HydrophobicContact CD2-CD2 4.01Å; F42-L447 HydrophobicContact CE2-CB 3.96Å; F42-L447 HydrophobicContact CE2-CD2 3.94Å; F42-L447 HydrophobicContact CE2-CG 4.44Å; F42-L447 HydrophobicContact CZ-CD2 4.44Å; A45-L447 HydrophobicContact CB-CD2 3.69Å; Y46-L447 HydrophobicContact CD2-CD1 4.12Å; T88-L447 HydrophobicContact CG2-CD1 3.59Å; T88-L447 HydrophobicContact CG2-CG 4.23Å; S95-L447 PolarHBondContact OG-O 2.9Å; F442-L447 HydrophobicContact CE1-CD2 4.42Å; F442-L447 HydrophobicContact CE1-CG 4.02Å; F442-L447 HydrophobicContact CZ-CD2 3.86Å; F442-L447 HydrophobicContact CZ-CG 3.88Å; S444-L447 PolarHBondContact O-N 2.7Å; S444-L447 VanDerWaalsContact O-N 3.12Å; F445-L447 VanDerWaalsContact C-N 3.27Å; F445-L447 PolarHBondContact O-N 3.5Å; L447-E449 VanDerWaalsContact C-N 3.29Å; L447-E449 PolarHBondContact O-N 2.99Å; L447-F451 HydrophobicContact CD2-CD2 4.05Å; L447-F451 HydrophobicContact CD2-CE2 4.33Å |
| 448 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -65.6 | -30.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D91 S95 S444 F445 K452 | D91-A448 HydrophobicContact CB-CB 3.87Å; D91-A448 WeakPolarHBondContact O-CB 3.46Å; S95-A448 WeakPolarHBondContact OG-CA 3.47Å; S444-A448 PolarHBondContact O-N 3.38Å; F445-A448 PolarHBondContact O-N 2.96Å; A448-K452 VanDerWaalsContact O-CB 3.31Å; A448-K452 WeakPolarHBondContact O-CB 3.13Å; A448-K452 WeakPolarHBondContact O-CD 3.33Å; A448-K452 WeakPolarHBondContact O-CE 3.41Å; A448-K452 PolarHBondContact O-NZ 3.13Å |
| 449 | E | 98.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 8.5 Ų | 8.5 | 6% | 0.056 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -132 | -59.3 | -166.9 | -54.1 | -154.2 | 71.1 | 0 | 0 | 113.1 | P388 F445 L447 F451 K452 Y453 E476 A477 | P388-E449 HydrophobicContact CB-CB 3.42Å; P388-E449 VanDerWaalsContact CB-CB 3.42Å; P388-E449 HydrophobicContact CB-CG 4.49Å; P388-E449 HydrophobicContact CG-CB 3.63Å; P388-E449 HydrophobicContact CG-CG 4.23Å; P388-E449 WeakPolarHBondContact CG-OE2 3.46Å; F445-E449 HydrophobicContact CB-CG 4.17Å; F445-E449 WeakPolarHBondContact O-CA 3.47Å; F445-E449 WeakPolarHBondContact O-CB 3.34Å; F445-E449 PolarHBondContact O-N 2.72Å; L447-E449 VanDerWaalsContact C-N 3.29Å; L447-E449 PolarHBondContact O-N 2.99Å; E449-F451 PolarHBondContact O-N 2.85Å; E449-K452 CarbonylContact O-C 3.03Å; E449-K452 WeakPolarHBondContact O-CA 3.31Å; E449-K452 WeakPolarHBondContact O-CB 3.48Å; E449-K452 PolarHBondContact O-N 3.19Å; E449-Y453 HydrophobicContact CB-CD2 4.25Å; E449-Y453 HydrophobicContact CB-CE2 4.14Å; E449-Y453 WeakPolarHBondContact O-CD2 3.32Å; E449-Y453 PolarHBondContact O-N 3.39Å; E449-E476 VanDerWaalsContact CD-C 3.47Å; E449-E476 VanDerWaalsContact CD-CA 3.44Å; E449-E476 HydrophobicContact CG-CG 4.28Å; E449-A477 HydrophobicContact CB-CB 4.16Å; E449-A477 HydrophobicContact CG-CB 3.7Å; E449-A477 PolarHBondContact OE1-N 2.77Å |
| 450 | T | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.018 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -61.3 | -47.7 | -168.1 | -55.3 | 0 | 0 | 0 | 0 | 111 | L386 P388 I391 L417 F445 L454 | L386-T450 WeakPolarHBondContact O-CG2 3.22Å; L386-T450 PolarHBondContact O-OG1 3.49Å; P388-T450 WeakPolarHBondContact CA-OG1 3.25Å; I391-T450 HydrophobicContact CG2-CG2 4.48Å; L417-T450 HydrophobicContact CD1-CG2 4.19Å; F445-T450 PolarHBondContact O-N 2.86Å; T450-L454 WeakPolarHBondContact O-CB 3.47Å; T450-L454 WeakPolarHBondContact O-CD1 3.38Å; T450-L454 VanDerWaalsContact O-CG 3.23Å; T450-L454 WeakPolarHBondContact O-CG 3.33Å; T450-L454 PolarHBondContact O-N 3.46Å |
| 451 | F | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 1% | 0.013 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -76.5 | -26.7 | 173.5 | -61.7 | -30.1 | 0 | 0 | 0 | 113.5 | M41 F42 A45 F427 V446 L447 E449 L454 Y455 | M41-F451 HydrophobicContact CB-CE1 4.27Å; M41-F451 HydrophobicContact CB-CZ 4.4Å; M41-F451 HydrophobicContact CE-CD1 4.49Å; M41-F451 HydrophobicContact CE-CE1 3.85Å; F42-F451 HydrophobicContact CB-CB 4.19Å; F42-F451 HydrophobicContact CB-CD2 4.17Å; F42-F451 HydrophobicContact CB-CG 4.42Å; F42-F451 HydrophobicContact CD2-CB 3.84Å; F42-F451 HydrophobicContact CD2-CD2 4.14Å; F42-F451 HydrophobicContact CD2-CG 4.49Å; A45-F451 HydrophobicContact CB-CE2 3.74Å; F427-F451 HydrophobicContact CD1-CZ 4.43Å; F427-F451 HydrophobicContact CD2-CE2 4.2Å; F427-F451 AromaticContact CD2-CZ 3.7Å; F427-F451 HydrophobicContact CD2-CZ 3.7Å; F427-F451 HydrophobicContact CE1-CZ 4.45Å; F427-F451 HydrophobicContact CE2-CE2 4.3Å; F427-F451 AromaticContact CE2-CZ 3.73Å; F427-F451 HydrophobicContact CE2-CZ 3.73Å; F427-F451 HydrophobicContact CG-CZ 4.08Å; F427-F451 HydrophobicContact CZ-CZ 4.13Å; V446-F451 HydrophobicContact CG1-CD2 4.34Å; V446-F451 HydrophobicContact CG1-CE1 4.37Å; V446-F451 HydrophobicContact CG1-CE2 3.82Å; V446-F451 HydrophobicContact CG1-CZ 3.84Å; V446-F451 VanDerWaalsContact O-CD2 3.27Å; V446-F451 WeakPolarHBondContact O-CD2 3.48Å; V446-F451 WeakPolarHBondContact O-CG 3.13Å; V446-F451 PolarHBondContact O-N 2.88Å; V446-F451 VanDerWaalsContact O-N 3.16Å; L447-F451 HydrophobicContact CD2-CD2 4.05Å; L447-F451 HydrophobicContact CD2-CE2 4.33Å; E449-F451 PolarHBondContact O-N 2.85Å; F451-L454 HydrophobicContact CD1-CD1 4.13Å; F451-Y455 VanDerWaalsContact O-CB 3.31Å; F451-Y455 WeakPolarHBondContact O-CB 3.18Å; F451-Y455 PolarHBondContact O-N 3.17Å |
| 452 | K | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.5 | -54.1 | 175.6 | -175.5 | -175.2 | -74.6 | 159.2 | 0 | 111 | D94 S95 L98 A448 E449 L454 Y455 L456 F473 A477 | D94-K452 WeakPolarHBondContact OD1-CE 3.34Å; D94-K452 IonicContact OD1-NZ 3.95Å; D94-K452 PolarHBondContact OD1-NZ 3.03Å; D94-K452 IonicContact OD2-NZ 3.51Å; S95-K452 WeakPolarHBondContact OG-CE 3.36Å; S95-K452 PolarHBondContact OG-NZ 2.92Å; L98-K452 HydrophobicContact CD1-CD 3.66Å; L98-K452 HydrophobicContact CD1-CG 3.78Å; A448-K452 VanDerWaalsContact O-CB 3.31Å; A448-K452 WeakPolarHBondContact O-CB 3.13Å; A448-K452 WeakPolarHBondContact O-CD 3.33Å; A448-K452 WeakPolarHBondContact O-CE 3.41Å; A448-K452 PolarHBondContact O-NZ 3.13Å; E449-K452 CarbonylContact O-C 3.03Å; E449-K452 WeakPolarHBondContact O-CA 3.31Å; E449-K452 WeakPolarHBondContact O-CB 3.48Å; E449-K452 PolarHBondContact O-N 3.19Å; K452-L454 PolarHBondContact O-N 3.08Å; K452-Y455 PolarHBondContact O-N 3.36Å; K452-L456 HydrophobicContact CG-CD1 4.06Å; K452-L456 VanDerWaalsContact O-CG 3.26Å; K452-L456 WeakPolarHBondContact O-CG 3.48Å; K452-L456 PolarHBondContact O-N 3.34Å; K452-F473 HydrophobicContact CD-CE1 4.31Å; K452-A477 HydrophobicContact CD-CB 3.83Å; K452-A477 WeakPolarHBondContact CD-O 3.49Å; K452-A477 PolarHBondContact NZ-O 3.45Å |
| 453 | Y | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 177.7 | -67.5 | -56.5 | 0 | 0 | 0 | 112.7 | P388 E392 Y395 E449 Y455 L456 L457 F473 A477 | P388-Y453 HydrophobicContact CB-CD2 4.27Å; E392-Y453 HydrophobicContact CB-CD2 3.81Å; E392-Y453 HydrophobicContact CB-CE1 4.41Å; E392-Y453 HydrophobicContact CB-CE2 3.67Å; E392-Y453 HydrophobicContact CB-CG 4.24Å; E392-Y453 HydrophobicContact CG-CD1 4.42Å; E392-Y453 HydrophobicContact CG-CD2 4.35Å; E392-Y453 HydrophobicContact CG-CE1 3.93Å; E392-Y453 HydrophobicContact CG-CE2 3.82Å; Y395-Y453 AromaticContact CD1-CD1 3.84Å; Y395-Y453 HydrophobicContact CD1-CD1 3.84Å; Y395-Y453 HydrophobicContact CD1-CE1 4.31Å; Y395-Y453 HydrophobicContact CE1-CD1 4.45Å; Y395-Y453 HydrophobicContact CG-CD1 4.34Å; E449-Y453 HydrophobicContact CB-CD2 4.25Å; E449-Y453 HydrophobicContact CB-CE2 4.14Å; E449-Y453 WeakPolarHBondContact O-CD2 3.32Å; E449-Y453 PolarHBondContact O-N 3.39Å; Y453-Y455 VanDerWaalsContact C-N 3.33Å; Y453-Y455 PolarHBondContact O-N 3.17Å; Y453-L456 HydrophobicContact CD1-CD1 4.38Å; Y453-L456 PolarHBondContact O-N 3.05Å; Y453-L457 WeakPolarHBondContact O-CB 3.34Å; Y453-L457 PolarHBondContact O-N 2.9Å; Y453-F473 HydrophobicContact CE1-CD2 4.28Å; Y453-A477 HydrophobicContact CE1-CB 4.24Å; Y453-A477 HydrophobicContact CE2-CB 3.6Å; Y453-A477 VanDerWaalsContact CZ-CB 3.42Å; Y453-A477 VanDerWaalsContact OH-CB 3.22Å; Y453-A477 WeakPolarHBondContact OH-CB 3.49Å |
| 454 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 170.3 | -80.9 | 174.5 | 0 | 0 | 0 | 111.8 | V38 I391 I413 V414 L417 T450 F451 K452 L457 F458 | V38-L454 HydrophobicContact CB-CB 4.45Å; V38-L454 HydrophobicContact CG1-CB 3.62Å; V38-L454 HydrophobicContact CG2-CB 3.94Å; I391-L454 HydrophobicContact CD1-CD2 3.5Å; I391-L454 VanDerWaalsContact CD1-CD2 3.5Å; I391-L454 HydrophobicContact CD1-CG 4.26Å; I391-L454 HydrophobicContact CG1-CD2 3.69Å; I391-L454 HydrophobicContact CG1-CG 3.87Å; I413-L454 HydrophobicContact CG2-CD2 4.26Å; V414-L454 HydrophobicContact CG2-CD1 4.36Å; V414-L454 HydrophobicContact CG2-CD2 3.73Å; L417-L454 HydrophobicContact CD1-CD1 3.93Å; T450-L454 WeakPolarHBondContact O-CB 3.47Å; T450-L454 WeakPolarHBondContact O-CD1 3.38Å; T450-L454 VanDerWaalsContact O-CG 3.23Å; T450-L454 WeakPolarHBondContact O-CG 3.33Å; T450-L454 PolarHBondContact O-N 3.46Å; F451-L454 HydrophobicContact CD1-CD1 4.13Å; K452-L454 PolarHBondContact O-N 3.08Å; L454-L457 PolarHBondContact O-N 3.06Å; L454-F458 HydrophobicContact CD2-CE2 4.26Å; L454-F458 WeakPolarHBondContact O-CD2 3.45Å; L454-F458 PolarHBondContact O-N 2.7Å |
| 455 | Y | 98.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -46.3 | 179.2 | -176.8 | -92.6 | 0 | 0 | 0 | 111.1 | K35 K39 L98 I99 F451 K452 Y453 L457 F458 A459 | K35-Y455 HydrophobicContact CD-CE2 4.3Å; K35-Y455 HydrophobicContact CG-CD2 4.05Å; K35-Y455 HydrophobicContact CG-CE2 3.55Å; K39-Y455 HydrophobicContact CB-CD2 4.29Å; K39-Y455 HydrophobicContact CB-CE2 4.13Å; K39-Y455 HydrophobicContact CD-CE2 4.3Å; L98-Y455 WeakPolarHBondContact O-CE1 3.44Å; I99-Y455 HydrophobicContact CB-CE2 4.48Å; I99-Y455 HydrophobicContact CG1-CD1 3.98Å; I99-Y455 HydrophobicContact CG1-CD2 4.03Å; I99-Y455 HydrophobicContact CG1-CE1 4.37Å; I99-Y455 HydrophobicContact CG1-CE2 4.41Å; I99-Y455 HydrophobicContact CG1-CG 3.8Å; I99-Y455 HydrophobicContact CG2-CD2 4.31Å; I99-Y455 HydrophobicContact CG2-CE2 4.08Å; F451-Y455 VanDerWaalsContact O-CB 3.31Å; F451-Y455 WeakPolarHBondContact O-CB 3.18Å; F451-Y455 PolarHBondContact O-N 3.17Å; K452-Y455 PolarHBondContact O-N 3.36Å; Y453-Y455 VanDerWaalsContact C-N 3.33Å; Y453-Y455 PolarHBondContact O-N 3.17Å; Y455-L457 VanDerWaalsContact C-N 3.26Å; Y455-L457 PolarHBondContact O-N 3.27Å; Y455-F458 PolarHBondContact O-N 2.97Å; Y455-F458 VanDerWaalsContact O-N 3.1Å; Y455-A459 HydrophobicContact CD1-CB 4.29Å; Y455-A459 HydrophobicContact CE1-CB 4.06Å; Y455-A459 WeakPolarHBondContact O-CB 3.49Å; Y455-A459 PolarHBondContact O-N 3.31Å |
| 456 | L | 97.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 21.8 Ų | 21.8 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -28.9 | 179.3 | -67.2 | 170.2 | 0 | 0 | 0 | 113.4 | L98 Y395 K452 Y453 I464 V468 F473 | L98-L456 HydrophobicContact CD2-CD2 4.45Å; Y395-L456 HydrophobicContact CD2-CB 3.9Å; Y395-L456 HydrophobicContact CE1-CD1 4.45Å; Y395-L456 HydrophobicContact CE2-CB 3.49Å; Y395-L456 VanDerWaalsContact CE2-CB 3.49Å; Y395-L456 WeakPolarHBondContact CE2-O 3.42Å; K452-L456 HydrophobicContact CG-CD1 4.06Å; K452-L456 VanDerWaalsContact O-CG 3.26Å; K452-L456 WeakPolarHBondContact O-CG 3.48Å; K452-L456 PolarHBondContact O-N 3.34Å; Y453-L456 HydrophobicContact CD1-CD1 4.38Å; Y453-L456 PolarHBondContact O-N 3.05Å; L456-I464 HydrophobicContact CD2-CD1 3.67Å; L456-I464 HydrophobicContact CD2-CG1 4.4Å; L456-V468 HydrophobicContact CD2-CG2 4.34Å; L456-F473 HydrophobicContact CD1-CE1 4.33Å; L456-F473 HydrophobicContact CD1-CE2 4.09Å; L456-F473 HydrophobicContact CD1-CZ 3.55Å |
| 457 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.9 | -36.1 | 173.8 | 179.9 | 61.6 | 0 | 0 | 0 | 112.7 | K31 I391 T394 Y395 Y398 L407 Y453 L454 Y455 | K31-L457 WeakPolarHBondContact CE-O 3.48Å; I391-L457 HydrophobicContact CD1-CD2 3.88Å; T394-L457 HydrophobicContact CG2-CD2 3.92Å; Y395-L457 HydrophobicContact CD2-CB 4.35Å; Y398-L457 HydrophobicContact CD1-CD1 3.61Å; Y398-L457 HydrophobicContact CD2-CD1 4.46Å; Y398-L457 HydrophobicContact CE1-CD1 4.41Å; Y398-L457 HydrophobicContact CG-CD1 3.64Å; L407-L457 HydrophobicContact CD2-CD1 3.88Å; L407-L457 HydrophobicContact CD2-CG 4.1Å; L407-L457 WeakPolarHBondContact CD2-O 3.27Å; Y453-L457 WeakPolarHBondContact O-CB 3.34Å; Y453-L457 PolarHBondContact O-N 2.9Å; L454-L457 PolarHBondContact O-N 3.06Å; Y455-L457 VanDerWaalsContact C-N 3.26Å; Y455-L457 PolarHBondContact O-N 3.27Å |
| 458 | F | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -101.2 | -14.5 | -177.2 | -57.3 | -56.6 | 0 | 0 | 0 | 114.9 | V29 K31 L34 K35 V38 L407 V414 L454 Y455 | V29-F458 HydrophobicContact CG1-CE1 4.44Å; K31-F458 VanDerWaalsContact CE-O 3.25Å; K31-F458 WeakPolarHBondContact CE-O 3.32Å; K31-F458 HydrophobicContact CG-CD1 4.49Å; L34-F458 HydrophobicContact CB-CB 4.25Å; L34-F458 HydrophobicContact CB-CD1 3.79Å; L34-F458 HydrophobicContact CB-CD2 3.73Å; L34-F458 HydrophobicContact CB-CE1 4.04Å; L34-F458 HydrophobicContact CB-CE2 3.99Å; L34-F458 HydrophobicContact CB-CG 3.63Å; L34-F458 HydrophobicContact CB-CZ 4.13Å; L34-F458 HydrophobicContact CD1-CD1 3.89Å; L34-F458 HydrophobicContact CD1-CE1 3.42Å; L34-F458 VanDerWaalsContact CD1-CE1 3.42Å; L34-F458 HydrophobicContact CD1-CE2 4.35Å; L34-F458 HydrophobicContact CD1-CZ 3.69Å; L34-F458 HydrophobicContact CG-CE1 4.39Å; L34-F458 HydrophobicContact CG-CZ 4.5Å; K35-F458 HydrophobicContact CB-CB 3.89Å; V38-F458 HydrophobicContact CG2-CD2 4Å; V38-F458 HydrophobicContact CG2-CE2 4.17Å; L407-F458 HydrophobicContact CD2-CD1 4.22Å; L407-F458 HydrophobicContact CD2-CE1 4.28Å; V414-F458 HydrophobicContact CG2-CE2 3.79Å; V414-F458 HydrophobicContact CG2-CZ 4.4Å; L454-F458 HydrophobicContact CD2-CE2 4.26Å; L454-F458 WeakPolarHBondContact O-CD2 3.45Å; L454-F458 PolarHBondContact O-N 2.7Å; Y455-F458 PolarHBondContact O-N 2.97Å; Y455-F458 VanDerWaalsContact O-N 3.1Å |
| 459 | A | 95.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | trans | -61.2 | 146.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K31 Y455 D463 I464 | K31-A459 PolarHBondContact NZ-O 2.81Å; Y455-A459 HydrophobicContact CD1-CB 4.29Å; Y455-A459 HydrophobicContact CE1-CB 4.06Å; Y455-A459 WeakPolarHBondContact O-CB 3.49Å; Y455-A459 PolarHBondContact O-N 3.31Å; A459-D463 HydrophobicContact CB-CB 4.24Å; A459-I464 HydrophobicContact CB-CD1 3.97Å; A459-I464 HydrophobicContact CB-CG1 3.9Å | ||
| 460 | E | 93.8 | Very high | 95 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 41% | 0.411 | 19% | 0.191 | S | C | . | . | trans | -86.6 | 156.8 | 154 | -63.9 | -52.6 | 146.6 | 0 | 0 | 109.7 | K31 S462 D463 | K31-E460 WeakPolarHBondContact CD-OE1 3.34Å; K31-E460 WeakPolarHBondContact CE-OE1 3.32Å; K31-E460 IonicContact NZ-OE1 3.76Å; K31-E460 PolarHBondContact NZ-OE1 2.91Å; K31-E460 IonicContact NZ-OE2 3.6Å; K31-E460 PolarHBondContact NZ-OE2 3.49Å; E460-S462 PolarHBondContact O-N 2.82Å; E460-D463 PolarHBondContact N-OD2 3.34Å; E460-D463 WeakPolarHBondContact O-CB 3.31Å; E460-D463 PolarHBondContact O-N 3.46Å | ||
| 461 | P | 91.4 | Very high | 94.7 | Very high | 95 Ų | 95 | 35 Ų | 35 | 62% | 0.617 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.6 | 178.2 | -26.4 | 35.7 | 0 | 0 | 0 | 114.7 | ||
| 462 | S | 92.2 | Very high | 94.6 | Very high | 108 Ų | 108 | 36 Ų | 36 | 76% | 0.755 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -9.5 | 174.6 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | E460 | E460-S462 PolarHBondContact O-N 2.82Š|
| 463 | D | 92.7 | Very high | 94.5 | Very high | 49 Ų | 49 | 36.9 Ų | 36.9 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -19.8 | 176.9 | -66.4 | -54.2 | 0 | 0 | 0 | 112.8 | K35 A459 E460 | K35-D463 HydrophobicContact CD-CB 4.14Å; K35-D463 WeakPolarHBondContact CD-OD2 3.39Å; K35-D463 IonicContact NZ-OD1 3.26Å; K35-D463 PolarHBondContact NZ-OD1 2.76Å; K35-D463 IonicContact NZ-OD2 2.74Å; K35-D463 PolarHBondContact NZ-OD2 3.22Å; A459-D463 HydrophobicContact CB-CB 4.24Å; E460-D463 PolarHBondContact N-OD2 3.34Å; E460-D463 WeakPolarHBondContact O-CB 3.31Å; E460-D463 PolarHBondContact O-N 3.46Å |
| 464 | I | 93.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -98.9 | 133.5 | -172.1 | -49.4 | 170.3 | 0 | 0 | 0 | 108.6 | L98 L456 A459 I466 V468 | L98-I464 HydrophobicContact CD2-CG2 3.61Å; L456-I464 HydrophobicContact CD2-CD1 3.67Å; L456-I464 HydrophobicContact CD2-CG1 4.4Å; A459-I464 HydrophobicContact CB-CD1 3.97Å; A459-I464 HydrophobicContact CB-CG1 3.9Å; I464-I466 HydrophobicContact CG2-CG1 4.04Å; I464-I466 PolarHBondContact O-N 3.14Å; I464-V468 HydrophobicContact CD1-CG2 3.63Å; I464-V468 HydrophobicContact CG2-CG2 4.28Å |
| 465 | P | 92.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 25% | 0.247 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -66.4 | -6.9 | -179.2 | -25 | 36.4 | 0 | 0 | 0 | 116.1 | F97 L102 N150 | F97-P465 HydrophobicContact CD2-CB 4.41Å; F97-P465 HydrophobicContact CD2-CG 4.41Å; F97-P465 HydrophobicContact CE2-CB 3.67Å; F97-P465 HydrophobicContact CE2-CG 4.14Å; F97-P465 HydrophobicContact CZ-CB 3.79Å; F97-P465 WeakPolarHBondContact O-CG 3.19Å; L102-P465 HydrophobicContact CD2-CG 4.24Å; N150-P465 PolarHBondContact ND2-O 3.23Å |
| 466 | I | 93.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -136.5 | 152.9 | -178.6 | 50.8 | 163.4 | 0 | 0 | 0 | 111.6 | F97 L98 S146 I464 V468 Y471 L479 | F97-I466 HydrophobicContact CE1-CD1 4.27Å; F97-I466 HydrophobicContact CE1-CG1 4.22Å; F97-I466 HydrophobicContact CE1-CG2 3.95Å; F97-I466 HydrophobicContact CZ-CG2 3.81Å; L98-I466 HydrophobicContact CD2-CD1 3.98Å; L98-I466 HydrophobicContact CD2-CG1 4.02Å; S146-I466 WeakPolarHBondContact OG-CG2 3.31Å; I464-I466 HydrophobicContact CG2-CG1 4.04Å; I464-I466 PolarHBondContact O-N 3.14Å; I466-V468 PolarHBondContact O-N 3.38Å; I466-Y471 HydrophobicContact CB-CE2 3.9Å; I466-Y471 HydrophobicContact CD1-CD1 4.39Å; I466-Y471 HydrophobicContact CD1-CD2 3.77Å; I466-Y471 HydrophobicContact CD1-CE1 4.27Å; I466-Y471 HydrophobicContact CD1-CE2 3.66Å; I466-Y471 HydrophobicContact CD1-CG 4.16Å; I466-Y471 HydrophobicContact CG1-CE2 4.37Å; I466-Y471 HydrophobicContact CG2-CE2 4.14Å; I466-L479 HydrophobicContact CD1-CD1 3.68Å; I466-L479 HydrophobicContact CD1-CD2 3.81Å; I466-L479 HydrophobicContact CD1-CG 4.4Å |
| 467 | N | 92.3 | Very high | 94.5 | Very high | 81 Ų | 81 | 37.7 Ų | 37.7 | 43% | 0.433 | 21% | 0.212 | S | C | . | . | trans | -72.4 | 108.1 | 161.5 | 176.9 | 33.9 | 0 | 0 | 0 | 109.3 | D469 D470 Y471 | N467-D469 PolarHBondContact O-N 3.03Å; N467-D469 PolarHBondContact OD1-N 3.36Å; N467-D469 PolarHBondContact OD1-OD2 2.9Å; N467-D470 WeakPolarHBondContact CB-OD2 3.38Å; N467-D470 PolarHBondContact ND2-OD2 3.33Å; N467-D470 PolarHBondContact O-N 3.31Å; N467-D470 VanDerWaalsContact O-N 3.16Å; N467-Y471 VanDerWaalsContact O-CD2 3.29Å; N467-Y471 WeakPolarHBondContact O-CD2 3.41Å | ||
| 468 | V | 91.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -61.5 | -26.4 | -176.2 | -150.7 | 0 | 0 | 0 | 0 | 112.6 | L456 I464 I466 D470 Y471 F473 | L456-V468 HydrophobicContact CD2-CG2 4.34Å; I464-V468 HydrophobicContact CD1-CG2 3.63Å; I464-V468 HydrophobicContact CG2-CG2 4.28Å; I466-V468 PolarHBondContact O-N 3.38Å; V468-D470 PolarHBondContact O-N 2.84Å; V468-Y471 PolarHBondContact O-N 3.29Å; V468-Y471 VanDerWaalsContact O-N 3.16Å; V468-F473 HydrophobicContact CG1-CE2 3.65Å; V468-F473 HydrophobicContact CG1-CZ 3.49Å; V468-F473 VanDerWaalsContact CG1-CZ 3.49Å |
| 469 | D | 89.1 | Confident | 94.5 | Very high | 67 Ų | 67 | 37.7 Ų | 37.7 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -70.5 | -11.1 | 179.6 | -62.4 | -60.5 | 0 | 0 | 0 | 114.1 | R399 N467 Y471 L482 | R399-D469 IonicContact CZ-OD1 3.52Å; R399-D469 IonicContact CZ-OD2 3.5Å; R399-D469 IonicContact NH2-OD1 2.59Å; R399-D469 PolarHBondContact NH2-OD1 3.05Å; R399-D469 IonicContact NH2-OD2 3.38Å; R399-D469 PolarHBondContact NH2-OD2 2.86Å; N467-D469 PolarHBondContact O-N 3.03Å; N467-D469 PolarHBondContact OD1-N 3.36Å; N467-D469 PolarHBondContact OD1-OD2 2.9Å; D469-Y471 VanDerWaalsContact C-N 3.29Å; D469-L482 WeakPolarHBondContact O-CD1 3.44Å |
| 470 | D | 91.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 37.3 Ų | 37.3 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -87.4 | 4.8 | 172.8 | -69.8 | -56.3 | 0 | 0 | 0 | 112.9 | N467 V468 L482 | N467-D470 WeakPolarHBondContact CB-OD2 3.38Å; N467-D470 PolarHBondContact ND2-OD2 3.33Å; N467-D470 PolarHBondContact O-N 3.31Å; N467-D470 VanDerWaalsContact O-N 3.16Å; V468-D470 PolarHBondContact O-N 2.84Å; D470-L482 WeakPolarHBondContact O-CB 3.29Å; D470-L482 WeakPolarHBondContact O-CG 3.44Å; D470-L482 PolarHBondContact O-N 2.87Å |
| 471 | Y | 94.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 34 Ų | 34 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159.2 | -174.1 | -61.6 | -102.4 | 0 | 0 | 0 | 111.9 | V142 I466 N467 V468 D469 L479 L480 P481 | V142-Y471 HydrophobicContact CG1-CD1 4.21Å; V142-Y471 HydrophobicContact CG1-CE1 3.57Å; I466-Y471 HydrophobicContact CB-CE2 3.9Å; I466-Y471 HydrophobicContact CD1-CD1 4.39Å; I466-Y471 HydrophobicContact CD1-CD2 3.77Å; I466-Y471 HydrophobicContact CD1-CE1 4.27Å; I466-Y471 HydrophobicContact CD1-CE2 3.66Å; I466-Y471 HydrophobicContact CD1-CG 4.16Å; I466-Y471 HydrophobicContact CG1-CE2 4.37Å; I466-Y471 HydrophobicContact CG2-CE2 4.14Å; N467-Y471 VanDerWaalsContact O-CD2 3.29Å; N467-Y471 WeakPolarHBondContact O-CD2 3.41Å; V468-Y471 PolarHBondContact O-N 3.29Å; V468-Y471 VanDerWaalsContact O-N 3.16Å; D469-Y471 VanDerWaalsContact C-N 3.29Å; Y471-L479 HydrophobicContact CD1-CB 4.21Å; Y471-L479 HydrophobicContact CD1-CD2 4.24Å; Y471-L479 HydrophobicContact CG-CD2 4.19Å; Y471-L480 CarbonylContact C-O 2.99Å; Y471-L480 WeakPolarHBondContact CA-O 2.98Å; Y471-P481 HydrophobicContact CD1-CB 3.87Å; Y471-P481 HydrophobicContact CE1-CB 3.76Å |
| 472 | I | 94.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.8 | 162.3 | -160.5 | 62.7 | 0 | 0 | 0 | 108.6 | K281 I284 L285 L480 L482 | K281-I472 HydrophobicContact CB-CG1 4.11Å; K281-I472 HydrophobicContact CD-CG1 4.22Å; K281-I472 HydrophobicContact CG-CD1 4.19Å; K281-I472 HydrophobicContact CG-CG1 4.11Å; I284-I472 HydrophobicContact CB-CD1 4.48Å; I284-I472 HydrophobicContact CD1-CD1 4.36Å; I284-I472 HydrophobicContact CG2-CD1 4.06Å; L285-I472 HydrophobicContact CB-CG2 4.16Å; L285-I472 HydrophobicContact CD1-CG2 3.87Å; L285-I472 HydrophobicContact CD2-CG2 4.09Å; L285-I472 HydrophobicContact CG-CG2 4.25Å; I472-L480 HydrophobicContact CG2-CB 3.88Å; I472-L480 PolarHBondContact N-O 3.45Å; I472-L480 PolarHBondContact O-N 3.26Å; I472-L482 HydrophobicContact CB-CD2 3.99Å |
| 473 | F | 97.2 | Very high | 94.2 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 9% | 0.088 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.6 | 170.9 | -71.6 | -62.9 | 0 | 0 | 0 | 110.2 | L98 K281 Y395 K452 Y453 L456 V468 A477 H478 L479 | L98-F473 HydrophobicContact CD1-CE1 4.2Å; K281-F473 WeakPolarHBondContact CD-O 3.36Å; K281-F473 VanDerWaalsContact CE-O 3.27Å; K281-F473 WeakPolarHBondContact CE-O 3.33Å; K281-F473 PolarHBondContact NZ-O 3.11Å; Y395-F473 HydrophobicContact CE1-CE2 4.3Å; K452-F473 HydrophobicContact CD-CE1 4.31Å; Y453-F473 HydrophobicContact CE1-CD2 4.28Å; L456-F473 HydrophobicContact CD1-CE1 4.33Å; L456-F473 HydrophobicContact CD1-CE2 4.09Å; L456-F473 HydrophobicContact CD1-CZ 3.55Å; V468-F473 HydrophobicContact CG1-CE2 3.65Å; V468-F473 HydrophobicContact CG1-CZ 3.49Å; V468-F473 VanDerWaalsContact CG1-CZ 3.49Å; F473-A477 WeakPolarHBondContact CD1-O 3.42Å; F473-H478 CarbonylContact C-O 3.44Å; F473-H478 VanDerWaalsContact CA-O 3.29Å; F473-H478 WeakPolarHBondContact CA-O 2.98Å; F473-L479 HydrophobicContact CD1-CD2 4.05Å; F473-L479 HydrophobicContact CE1-CD2 3.45Å; F473-L479 VanDerWaalsContact CE1-CD2 3.45Å; F473-L479 HydrophobicContact CE1-CG 4.18Å; F473-L479 HydrophobicContact CZ-CD2 4.06Å |
| 474 | T | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -65.1 | -175.3 | 168.5 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | E215 Y278 K281 E476 A477 H478 L480 | E215-T474 HydrophobicContact CG-CG2 4.41Å; E215-T474 WeakPolarHBondContact OE1-CB 3.47Å; E215-T474 VanDerWaalsContact OE1-CG2 3.26Å; E215-T474 WeakPolarHBondContact OE1-CG2 3.41Å; Y278-T474 WeakPolarHBondContact OH-CB 3.31Å; K281-T474 PolarHBondContact NZ-O 3.4Å; T474-E476 PolarHBondContact O-N 3.17Å; T474-E476 PolarHBondContact OG1-N 2.75Å; T474-A477 PolarHBondContact O-N 3.29Å; T474-H478 HydrophobicContact CG2-CB 4.14Å; T474-H478 PolarHBondContact N-O 2.97Å; T474-H478 WeakPolarHBondContact OG1-CB 3.47Å; T474-H478 PolarHBondContact OG1-N 3.37Å; T474-L480 HydrophobicContact CG2-CD1 3.63Å; T474-L480 HydrophobicContact CG2-CG 3.98Å | ||
| 475 | T | 97.8 | Very high | 93 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 17% | 0.172 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.6 | 171.9 | -169.8 | 0 | 0 | 0 | 0 | 112.6 | I131 T211 E277 Y278 | I131-T475 HydrophobicContact CB-CG2 3.68Å; I131-T475 HydrophobicContact CD1-CG2 4.08Å; I131-T475 HydrophobicContact CG1-CG2 4.38Å; I131-T475 HydrophobicContact CG2-CG2 3.46Å; I131-T475 VanDerWaalsContact CG2-CG2 3.46Å; T211-T475 HydrophobicContact CG2-CG2 3.73Å; E277-T475 WeakPolarHBondContact OE1-CA 3.48Å; E277-T475 PolarHBondContact OE1-N 3.47Å; Y278-T475 HydrophobicContact CE1-CG2 4.28Å; Y278-T475 PolarHBondContact OH-N 2.88Å |
| 476 | E | 98.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 30.5 | 174.2 | -141.8 | 94.2 | 179.9 | 0 | 0 | 111.4 | I131 R132 F445 E449 T474 H478 | I131-E476 HydrophobicContact CB-CB 4.45Å; I131-E476 WeakPolarHBondContact CD1-OE2 3.29Å; I131-E476 VanDerWaalsContact CG1-OE2 3.24Å; I131-E476 WeakPolarHBondContact CG1-OE2 3.5Å; R132-E476 WeakPolarHBondContact CD-OE1 3.38Å; R132-E476 HydrophobicContact CG-CG 3.92Å; R132-E476 IonicContact CZ-OE1 3.15Å; R132-E476 VanDerWaalsContact CZ-OE1 3.3Å; R132-E476 IonicContact NE-OE1 2.67Å; R132-E476 PolarHBondContact NE-OE1 2.7Å; R132-E476 IonicContact NE-OE2 3.3Å; R132-E476 IonicContact NH2-OE1 3.27Å; R132-E476 PolarHBondContact NH2-OE1 3.27Å; F445-E476 WeakPolarHBondContact CB-OE1 3.46Å; E449-E476 VanDerWaalsContact CD-C 3.47Å; E449-E476 VanDerWaalsContact CD-CA 3.44Å; E449-E476 HydrophobicContact CG-CG 4.28Å; T474-E476 PolarHBondContact O-N 3.17Å; T474-E476 PolarHBondContact OG1-N 2.75Å; E476-H478 VanDerWaalsContact C-N 3.29Å; E476-H478 PolarHBondContact O-N 2.74Å; E476-H478 VanDerWaalsContact O-N 3.11Å |
| 477 | A | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 53.2 | 26.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | E449 K452 Y453 F473 T474 | E449-A477 HydrophobicContact CB-CB 4.16Å; E449-A477 HydrophobicContact CG-CB 3.7Å; E449-A477 PolarHBondContact OE1-N 2.77Å; K452-A477 HydrophobicContact CD-CB 3.83Å; K452-A477 WeakPolarHBondContact CD-O 3.49Å; K452-A477 PolarHBondContact NZ-O 3.45Å; Y453-A477 HydrophobicContact CE1-CB 4.24Å; Y453-A477 HydrophobicContact CE2-CB 3.6Å; Y453-A477 VanDerWaalsContact CZ-CB 3.42Å; Y453-A477 VanDerWaalsContact OH-CB 3.22Å; Y453-A477 WeakPolarHBondContact OH-CB 3.49Å; F473-A477 WeakPolarHBondContact CD1-O 3.42Å; T474-A477 PolarHBondContact O-N 3.29Å | ||
| 478 | H | 98.5 | Very high | 88 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -84.6 | 146.3 | 179 | -61.5 | -57.8 | 0 | 0 | 0 | 114.1 | D91 D94 I131 G136 F473 T474 E476 L480 | D91-H478 PolarHBondContact O-CE1 3.34Å; D91-H478 IonicContact OD1-CE1 3.24Å; D91-H478 IonicContact OD1-NE2 3.43Å; D91-H478 PolarHBondContact OD1-NE2 2.83Å; D94-H478 IonicContact OD1-CE1 3.94Å; D94-H478 IonicContact OD1-ND1 2.93Å; D94-H478 PolarHBondContact OD1-ND1 3.36Å; D94-H478 VanDerWaalsContact OD1-ND1 3.15Å; D94-H478 VanDerWaalsContact OD2-CA 3.22Å; D94-H478 WeakPolarHBondContact OD2-CA 3.4Å; D94-H478 IonicContact OD2-CG 2.93Å; D94-H478 IonicContact OD2-ND1 2.68Å; I131-H478 PolarHBondContact O-CD2 3.11Å; G136-H478 VanDerWaalsContact CA-CE1 3.49Å; G136-H478 WeakPolarHBondContact CA-CE1 3.35Å; G136-H478 PolarHBondContact N-CD2 3Å; G136-H478 PolarHBondContact N-NE2 2.7Å; F473-H478 CarbonylContact C-O 3.44Å; F473-H478 VanDerWaalsContact CA-O 3.29Å; F473-H478 WeakPolarHBondContact CA-O 2.98Å; T474-H478 HydrophobicContact CG2-CB 4.14Å; T474-H478 PolarHBondContact N-O 2.97Å; T474-H478 WeakPolarHBondContact OG1-CB 3.47Å; T474-H478 PolarHBondContact OG1-N 3.37Å; E476-H478 VanDerWaalsContact C-N 3.29Å; E476-H478 PolarHBondContact O-N 2.74Å; E476-H478 VanDerWaalsContact O-N 3.11Å; H478-L480 PolarHBondContact O-N 2.98Å | ||
| 479 | L | 95.9 | Very high | 86 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 112 | -174.5 | -70 | 170 | 0 | 0 | 0 | 114.1 | D94 F97 L98 G139 I466 Y471 F473 | D94-L479 HydrophobicContact CB-CD1 4.42Å; D94-L479 PolarHBondContact OD2-N 2.83Å; F97-L479 HydrophobicContact CD1-CD1 4.1Å; F97-L479 HydrophobicContact CE1-CD1 4.25Å; L98-L479 HydrophobicContact CD1-CD1 4.01Å; L98-L479 HydrophobicContact CD1-CD2 4.39Å; L98-L479 HydrophobicContact CD1-CG 4.25Å; L98-L479 HydrophobicContact CD2-CD1 4.02Å; L98-L479 HydrophobicContact CG-CD1 3.92Å; G139-L479 WeakPolarHBondContact CA-O 3.49Å; I466-L479 HydrophobicContact CD1-CD1 3.68Å; I466-L479 HydrophobicContact CD1-CD2 3.81Å; I466-L479 HydrophobicContact CD1-CG 4.4Å; Y471-L479 HydrophobicContact CD1-CB 4.21Å; Y471-L479 HydrophobicContact CD1-CD2 4.24Å; Y471-L479 HydrophobicContact CG-CD2 4.19Å; F473-L479 HydrophobicContact CD1-CD2 4.05Å; F473-L479 HydrophobicContact CE1-CD2 3.45Å; F473-L479 VanDerWaalsContact CE1-CD2 3.45Å; F473-L479 HydrophobicContact CE1-CG 4.18Å; F473-L479 HydrophobicContact CZ-CD2 4.06Å |
| 480 | L | 96.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.6 | 167.9 | -61.3 | 179 | 0 | 0 | 0 | 110.5 | L138 L214 A218 L285 Y471 I472 T474 H478 | L138-L480 HydrophobicContact CB-CD2 4.06Å; L214-L480 HydrophobicContact CB-CD1 3.81Å; A218-L480 HydrophobicContact CB-CD1 4.08Å; A218-L480 HydrophobicContact CB-CD2 3.68Å; A218-L480 HydrophobicContact CB-CG 4.44Å; L285-L480 HydrophobicContact CD1-CB 4.36Å; L285-L480 HydrophobicContact CD2-CB 4.19Å; L285-L480 HydrophobicContact CD2-CD1 3.92Å; Y471-L480 CarbonylContact C-O 2.99Å; Y471-L480 WeakPolarHBondContact CA-O 2.98Å; I472-L480 HydrophobicContact CG2-CB 3.88Å; I472-L480 PolarHBondContact N-O 3.45Å; I472-L480 PolarHBondContact O-N 3.26Å; T474-L480 HydrophobicContact CG2-CD1 3.63Å; T474-L480 HydrophobicContact CG2-CG 3.98Å; H478-L480 PolarHBondContact O-N 2.98Å |
| 481 | P | 94.2 | Very high | 81.6 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 136.5 | -172.1 | 29.2 | -31.3 | 0 | 0 | 0 | 112 | V142 L285 Y471 S483 L484 | V142-P481 HydrophobicContact CG1-CG 4.17Å; V142-P481 HydrophobicContact CG2-CG 4.18Å; L285-P481 WeakPolarHBondContact CD1-O 3.23Å; Y471-P481 HydrophobicContact CD1-CB 3.87Å; Y471-P481 HydrophobicContact CE1-CB 3.76Å; P481-S483 PolarHBondContact O-N 2.88Å; P481-L484 HydrophobicContact CG-CD1 4.27Å; P481-L484 HydrophobicContact CG-CG 4.13Å; P481-L484 WeakPolarHBondContact O-CB 3.42Å; P481-L484 WeakPolarHBondContact O-CG 3.37Å; P481-L484 PolarHBondContact O-N 2.84Å; P481-L484 VanDerWaalsContact O-N 3.08Å |
| 482 | L | 90.3 | Very high | 79 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -64.5 | -12.6 | 179.6 | -61.8 | 180 | 0 | 0 | 0 | 113.1 | I284 L285 D469 D470 I472 L484 S485 | I284-L482 HydrophobicContact CG2-CD2 3.77Å; L285-L482 HydrophobicContact CD1-CD2 4.37Å; D469-L482 WeakPolarHBondContact O-CD1 3.44Å; D470-L482 WeakPolarHBondContact O-CB 3.29Å; D470-L482 WeakPolarHBondContact O-CG 3.44Å; D470-L482 PolarHBondContact O-N 2.87Å; I472-L482 HydrophobicContact CB-CD2 3.99Å; L482-L484 PolarHBondContact O-N 2.64Å; L482-S485 VanDerWaalsContact O-CB 3.32Å; L482-S485 WeakPolarHBondContact O-CB 3.2Å; L482-S485 PolarHBondContact O-N 3.02Å; L482-S485 PolarHBondContact O-OG 3.12Å |
| 483 | S | 86.8 | Confident | 76.4 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -60.4 | -24.6 | 171.1 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | P481 S485 R486 | P481-S483 PolarHBondContact O-N 2.88Å; S483-S485 PolarHBondContact O-N 2.6Å; S483-R486 WeakPolarHBondContact O-CB 3.29Å; S483-R486 PolarHBondContact O-N 2.05Å |
| 484 | L | 85.1 | Confident | 73.8 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -58.4 | -27.5 | 175 | -66 | 173.5 | 0 | 0 | 0 | 112.5 | A218 R221 L222 L285 P481 L482 R486 Q487 | A218-L484 HydrophobicContact CB-CD1 3.79Å; R221-L484 HydrophobicContact CB-CD2 3.92Å; R221-L484 PolarHBondContact NH1-O 3.06Å; L222-L484 HydrophobicContact CD2-CD2 4.24Å; L222-L484 HydrophobicContact CG-CD2 4.17Å; L285-L484 HydrophobicContact CD1-CB 4.16Å; L285-L484 HydrophobicContact CD1-CD1 4.21Å; P481-L484 HydrophobicContact CG-CD1 4.27Å; P481-L484 HydrophobicContact CG-CG 4.13Å; P481-L484 WeakPolarHBondContact O-CB 3.42Å; P481-L484 WeakPolarHBondContact O-CG 3.37Å; P481-L484 PolarHBondContact O-N 2.84Å; P481-L484 VanDerWaalsContact O-N 3.08Å; L482-L484 PolarHBondContact O-N 2.64Å; L484-R486 PolarHBondContact O-N 3.09Å; L484-R486 VanDerWaalsContact O-N 3.12Å; L484-Q487 PolarHBondContact O-N 3.12Å; L484-Q487 VanDerWaalsContact O-N 3.13Å |
| 485 | S | 75.5 | Confident | 71 | Confident | 38 Ų | 38 | 56 Ų | 56 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -54.2 | -28.9 | 173.3 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | L285 L482 S483 | L285-S485 VanDerWaalsContact O-CA 3.24Å; L285-S485 WeakPolarHBondContact O-CA 3.11Å; L285-S485 VanDerWaalsContact O-CB 3.27Å; L285-S485 WeakPolarHBondContact O-CB 3.35Å; L285-S485 PolarHBondContact O-N 3.2Å; L482-S485 VanDerWaalsContact O-CB 3.32Å; L482-S485 WeakPolarHBondContact O-CB 3.2Å; L482-S485 PolarHBondContact O-N 3.02Å; L482-S485 PolarHBondContact O-OG 3.12Å; S483-S485 PolarHBondContact O-N 2.6Å |
| 486 | R | 64.1 | Low | 67.8 | Low | 216 Ų | 216 | 58.4 Ų | 58.4 | 82% | 0.815 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -78.7 | -21.5 | -176.6 | -56.1 | -178.3 | -175.9 | 178.7 | 3.4 | 112.8 | S483 L484 R488 | S483-R486 WeakPolarHBondContact O-CB 3.29Å; S483-R486 PolarHBondContact O-N 2.05Å; L484-R486 PolarHBondContact O-N 3.09Å; L484-R486 VanDerWaalsContact O-N 3.12Å; R486-R488 VanDerWaalsContact C-N 3.29Å; R486-R488 PolarHBondContact O-N 3.47Å |
| 487 | Q | 59.7 | Low | 64.5 | Low | 83 Ų | 83 | 61.9 Ų | 61.9 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -84.1 | 72.4 | 176.7 | -67.9 | 174.7 | -64.2 | 0 | 0 | 110.1 | R221 L484 Y489 | R221-Q487 HydrophobicContact CB-CB 4.45Å; R221-Q487 HydrophobicContact CG-CB 4.39Å; R221-Q487 PolarHBondContact O-NE2 2.71Å; R221-Q487 VanDerWaalsContact O-NE2 3.07Å; R221-Q487 PolarHBondContact O-OE1 2.83Å; L484-Q487 PolarHBondContact O-N 3.12Å; L484-Q487 VanDerWaalsContact O-N 3.13Å; Q487-Y489 PolarHBondContact O-N 2.82Å; Q487-Y489 VanDerWaalsContact O-N 3.1Å |
| 488 | R | 50.7 | Low | 61.1 | Low | 155 Ų | 155 | 64.2 Ų | 64.2 | 59% | 0.585 | 33% | 0.33 | S | S | * | . | trans | -69.6 | 102.4 | 176.8 | -79.2 | -175.9 | 168.4 | 166.9 | -3.9 | 111.5 | R486 | R486-R488 VanDerWaalsContact C-N 3.29Å; R486-R488 PolarHBondContact O-N 3.47Å | ||
| 489 | Y | 49.6 | Very low | 57.9 | Low | 88 Ų | 88 | 70.2 Ų | 70.2 | 35% | 0.345 | 36% | 0.36 | S | S | . | . | trans | -76.4 | 138.1 | 160.4 | -80.9 | -89.8 | 0 | 0 | 0 | 110.4 | R221 G224 P226 Q487 I491 | R221-Y489 HydrophobicContact CG-CD2 4.27Å; R221-Y489 HydrophobicContact CG-CE2 4.47Å; G224-Y489 VanDerWaalsContact CA-OH 3.28Å; G224-Y489 WeakPolarHBondContact CA-OH 3.07Å; P226-Y489 HydrophobicContact CB-CD1 4.32Å; Q487-Y489 PolarHBondContact O-N 2.82Å; Q487-Y489 VanDerWaalsContact O-N 3.1Å; Y489-I491 VanDerWaalsContact C-N 3.3Å; Y489-I491 PolarHBondContact O-N 3.14Å | ||
| 490 | S | 39.3 | Very low | 54.7 | Low | 85 Ų | 85 | 75.4 Ų | 75.4 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | trans | -78.6 | 75.3 | 179.3 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | Q492 | S490-Q492 PolarHBondContact O-N 3.32Å; S490-Q492 VanDerWaalsContact OG-CG 3.29Å; S490-Q492 WeakPolarHBondContact OG-CG 3.27Å; S490-Q492 PolarHBondContact OG-NE2 2.89Å | ||
| 491 | I | 49.9 | Very low | 51.5 | Low | 21 Ų | 21 | 82.9 Ų | 82.9 | 11% | 0.108 | 43% | 0.434 | C | S | . | . | trans | -76.1 | 49.6 | 178.6 | -40.2 | -176.5 | 0 | 0 | 0 | 111.5 | E229 E230 Y489 N493 V494 | E229-I491 HydrophobicContact CG-CD1 3.79Å; E229-I491 WeakPolarHBondContact OE1-CD1 2.86Å; E230-I491 HydrophobicContact CG-CG2 4.28Å; Y489-I491 VanDerWaalsContact C-N 3.3Å; Y489-I491 PolarHBondContact O-N 3.14Å; I491-N493 PolarHBondContact O-N 2.91Å; I491-N493 VanDerWaalsContact O-N 3.15Å; I491-V494 HydrophobicContact CG2-CB 3.64Å; I491-V494 HydrophobicContact CG2-CG2 3.43Å; I491-V494 VanDerWaalsContact CG2-CG2 3.43Å | ||
| 492 | Q | 39.1 | Very low | 48.3 | Very low | 120 Ų | 120 | 87.5 Ų | 87.5 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.9 | -175.8 | -78 | 174.6 | 0 | 0 | 0 | 113.2 | S490 H496 | S490-Q492 PolarHBondContact O-N 3.32Å; S490-Q492 VanDerWaalsContact OG-CG 3.29Å; S490-Q492 WeakPolarHBondContact OG-CG 3.27Å; S490-Q492 PolarHBondContact OG-NE2 2.89Å; Q492-H496 WeakPolarHBondContact O-CB 3.36Å; Q492-H496 PolarHBondContact O-CD2 2.97Å |
| 493 | N | 38.7 | Very low | 45.2 | Very low | 136 Ų | 136 | 90.4 Ų | 90.4 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -22.4 | -174.1 | -67.2 | -31.9 | 0 | 0 | 0 | 115.1 | I491 | I491-N493 PolarHBondContact O-N 2.91Å; I491-N493 VanDerWaalsContact O-N 3.15Å |
| 494 | V | 43.8 | Very low | 42.5 | Very low | 25 Ų | 25 | 93.2 Ų | 93.2 | 15% | 0.152 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -35.6 | -175.8 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | E230 A233 K234 I491 | E230-V494 HydrophobicContact CB-CG2 4.32Å; E230-V494 HydrophobicContact CG-CG2 4.25Å; A233-V494 HydrophobicContact CB-CG1 4.02Å; K234-V494 HydrophobicContact CB-CG1 4.36Å; I491-V494 HydrophobicContact CG2-CB 3.64Å; I491-V494 HydrophobicContact CG2-CG2 3.43Å; I491-V494 VanDerWaalsContact CG2-CG2 3.43Å |
| 495 | F | 38.4 | Very low | 39.6 | Very low | 41 Ų | 41 | 98 Ų | 98 | 18% | 0.18 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -88.9 | -15.2 | 178.1 | -59.4 | -72.7 | 0 | 0 | 0 | 113.5 | V290 T497 | V290-F495 HydrophobicContact CG1-CD1 4.42Å; V290-F495 HydrophobicContact CG1-CE1 3.76Å; V290-F495 HydrophobicContact CG1-CZ 4.05Å; V290-F495 HydrophobicContact CG2-CE1 4.38Å; F495-T497 PolarHBondContact O-N 3.14Å |
| 496 | H | 30.7 | Very low | 37.2 | Very low | 78 Ų | 78 | 105 Ų | 105 | 36% | 0.361 | 56% | 0.56 | S | S | . | * | trans | -97.3 | 72.2 | 174 | -74.7 | -25.9 | 0 | 0 | 0 | 112.8 | Q492 G498 H552 | Q492-H496 WeakPolarHBondContact O-CB 3.36Å; Q492-H496 PolarHBondContact O-CD2 2.97Å; H496-G498 PolarHBondContact O-N 2.87Å; H496-H552 AromaticContact CE1-CD2 3.2Å; H496-H552 PolarHBondContact CE1-CD2 2.71Å; H496-H552 AromaticContact CE1-CG 3.88Å; H496-H552 AromaticContact CE1-NE2 3.43Å; H496-H552 PolarHBondContact CE1-NE2 2.69Å; H496-H552 AromaticContact ND1-CD2 3.91Å; H496-H552 AromaticContact NE2-CD2 3.89Å; H496-H552 AromaticContact NE2-NE2 3.75Å | ||
| 497 | T | 29.5 | Very low | 35.5 | Very low | 82 Ų | 82 | 101.2 Ų | 101.2 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | trans | -77.5 | 55.2 | 162.5 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | K241 F495 | K241-T497 PolarHBondContact NZ-OG1 2.99Å; F495-T497 PolarHBondContact O-N 3.14Å | ||
| 498 | G | 26.2 | Very low | 33.8 | Very low | 50 Ų | 50 | 106.8 Ų | 106.8 | 52% | 0.515 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -127.4 | 111.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | H496 | H496-G498 PolarHBondContact O-N 2.87Š|
| 499 | I | 31.1 | Very low | 32.5 | Very low | 126 Ų | 126 | 105.5 Ų | 105.5 | 65% | 0.646 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.6 | -166.3 | -66.6 | 162.7 | 0 | 0 | 0 | 110.5 | N501 V533 | I499-N501 PolarHBondContact O-N 3.46Å; I499-V533 HydrophobicContact CD1-CB 4.18Å; I499-V533 HydrophobicContact CD1-CG1 3.42Å; I499-V533 VanDerWaalsContact CD1-CG1 3.42Å; I499-V533 HydrophobicContact CD1-CG2 3.65Å |
| 500 | P | 29.6 | Very low | 31.3 | Very low | 110 Ų | 110 | 105.7 Ų | 105.7 | 71% | 0.714 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.1 | -179.6 | 26.9 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 501 | N | 28.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 110 Ų | 110 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 148.4 | 170.9 | -165.3 | 10.6 | 0 | 0 | 0 | 110 | I499 S503 | I499-N501 PolarHBondContact O-N 3.46Å; N501-S503 PolarHBondContact O-N 2.89Å |
| 502 | V | 27.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 130.2 | -167.5 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 503 | S | 26.7 | Very low | 28.8 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | trans | -155.6 | 152.5 | 155.7 | -80 | 0 | 0 | 0 | 0 | 109.7 | N501 | N501-S503 PolarHBondContact O-N 2.89Š| ||
| 504 | S | 29 | Very low | 28.3 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 87% | 0.867 | 65% | 0.653 | S | S | * | * | trans | 52.8 | 89.8 | -172.5 | 51.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 505 | V | 25.1 | Very low | 27.5 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 62% | 0.618 | 68% | 0.682 | S | S | * | * | trans | -75 | 169.6 | 152.6 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 506 | F | 25.4 | Very low | 27 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | trans | 82.9 | 140.1 | 173.4 | -49 | -70.8 | 0 | 0 | 0 | 115.2 | ||||
| 507 | I | 27.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | cis | -145.5 | 144.5 | -0.8 | -122.2 | 156.7 | 0 | 0 | 0 | 111 | ||||
| 508 | K | 23.4 | Very low | 26.8 | Very low | 201 Ų | 201 | 132 Ų | 132 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -84.8 | 112.2 | 156.2 | -84.9 | -174.6 | 176 | -178.9 | 0 | 107.7 | ||||
| 509 | T | 24 | Very low | 26.8 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | 175.5 | 159.6 | 132.2 | 32.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 510 | S | 24.6 | Very low | 26.6 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | -57.2 | 167.6 | 167.9 | 53.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 511 | Q | 25.9 | Very low | 26.6 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 88.6 | 121.6 | 161 | -63.3 | 168.1 | -34 | 0 | 0 | 118.2 | ||||
| 512 | Y | 24.3 | Very low | 26.6 | Very low | 206 Ų | 206 | 135 Ų | 135 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | 23.9 | 129.1 | 140.3 | -72.6 | -91.2 | 0 | 0 | 0 | 121.6 | ||||
| 513 | D | 25.4 | Very low | 26.6 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 72.8 | 113.5 | 136.3 | -63.7 | -14.4 | 0 | 0 | 0 | 123.2 | ||||
| 514 | V | 27.6 | Very low | 26.5 | Very low | 119 Ų | 119 | 135 Ų | 135 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | 78.5 | 106.9 | 126.8 | -179.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 515 | N | 27.1 | Very low | 26.6 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 65.6 | 105.7 | 142.7 | -65.3 | -8.8 | 0 | 0 | 0 | 123 | ||||
| 516 | S | 27.8 | Very low | 26.6 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | 90.6 | 127 | 115.6 | 74.8 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 517 | S | 28.1 | Very low | 26.7 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | 93.4 | 124.9 | 138.1 | 78.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 518 | I | 29.5 | Very low | 26.9 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | 70.7 | 147.3 | 143.3 | -65.2 | 162.4 | 0 | 0 | 0 | 119 | ||||
| 519 | L | 26.5 | Very low | 26.9 | Very low | 145 Ų | 145 | 134 Ų | 134 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | cis | -169.9 | 141 | -40.1 | -161.5 | 85.2 | 0 | 0 | 0 | 110.2 | ||||
| 520 | S | 26.5 | Very low | 27 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | 74.4 | 150.9 | 148.4 | 77.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 521 | Q | 29.4 | Very low | 27.2 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 140.7 | 159.4 | -65 | 172 | 27.8 | 0 | 0 | 118.8 | ||||
| 522 | S | 28.6 | Very low | 27.3 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | cis | -165.1 | 135.7 | -13.4 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 523 | S | 26.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 57 | 137.2 | 144.5 | 61.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 524 | S | 25.5 | Very low | 27.7 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 79.8 | 100.6 | 142.9 | 70.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 525 | T | 29.8 | Very low | 27.9 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 95% | 0.945 | 74% | 0.743 | S | S | * | * | -152.8 | 154.7 | 129.7 | 21.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 526 | S | 26.4 | Very low | 28.2 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | -117.2 | 174.9 | -173.4 | 65.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 527 | N | 27.2 | Very low | 28.5 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 91.1 | 50.9 | 163.1 | -46.4 | -12.6 | 0 | 0 | 0 | 118.9 | ||||
| 528 | V | 30.2 | Very low | 29.1 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | trans | -137.5 | 25.1 | 164.7 | -149.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 529 | E | 24.6 | Very low | 29.5 | Very low | 191 Ų | 191 | 121.8 Ų | 121.8 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | trans | -122.9 | 108.6 | -178.6 | -67.8 | -172.5 | 133.9 | 0 | 0 | 112.9 | ||||
| 530 | S | 26.6 | Very low | 30.1 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 58% | 0.58 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -177.3 | -16.9 | 161.5 | 50.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 531 | S | 27.4 | Very low | 30.5 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -86.5 | -26.3 | -153.4 | 49 | 0 | 0 | 0 | 0 | 117.9 | ||
| 532 | F | 27.5 | Very low | 30.9 | Very low | 177 Ų | 177 | 115.1 Ų | 115.1 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -109 | -4 | -171.9 | -157.7 | -105.3 | 0 | 0 | 0 | 115.5 | S535 | F532-S535 PolarHBondContact O-OG 3.26Š|
| 533 | V | 30.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 116.8 Ų | 116.8 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -97.4 | -11.2 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | I499 | I499-V533 HydrophobicContact CD1-CB 4.18Å; I499-V533 HydrophobicContact CD1-CG1 3.42Å; I499-V533 VanDerWaalsContact CD1-CG1 3.42Å; I499-V533 HydrophobicContact CD1-CG2 3.65Å |
| 534 | R | 27.7 | Very low | 32.7 | Very low | 216 Ų | 216 | 115.5 Ų | 115.5 | 82% | 0.815 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -94.1 | 1.8 | 176.9 | -67.6 | -178.5 | 173.1 | -176.9 | -1.3 | 114 | ||
| 535 | S | 32.3 | Very low | 33.9 | Very low | 70 Ų | 70 | 114 Ų | 114 | 49% | 0.49 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -90.7 | -16.2 | -168.4 | 51.9 | 0 | 0 | 0 | 0 | 115.5 | F532 | F532-S535 PolarHBondContact O-OG 3.26Š|
| 536 | I | 34.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 114.6 Ų | 114.6 | 67% | 0.672 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -107.4 | 93.6 | 170.4 | -56.7 | 179.1 | 0 | 0 | 0 | 107.7 | D538 | I536-D538 PolarHBondContact O-N 3.03Š|
| 537 | S | 33.7 | Very low | 35.8 | Very low | 60 Ų | 60 | 114.5 Ų | 114.5 | 42% | 0.42 | 60% | 0.601 | S | S | . | * | trans | -62 | 124.7 | 172.7 | 13.8 | 0 | 0 | 0 | 0 | 110.3 | H539 | S537-H539 PolarHBondContact O-N 2.91Å; S537-H539 PolarHBondContact O-ND1 3.32Å; S537-H539 PolarHBondContact OG-CE1 2.96Å; S537-H539 PolarHBondContact OG-NE2 2.86Å | ||
| 538 | D | 39.7 | Very low | 36.7 | Very low | 46 Ų | 46 | 111.2 Ų | 111.2 | 25% | 0.246 | 58% | 0.581 | C | S | . | * | trans | -67.5 | 82.8 | 153.5 | 177.4 | -2.1 | 0 | 0 | 0 | 107.1 | R245 I536 H540 G541 R543 | R245-D538 IonicContact CZ-OD1 2.72Å; R245-D538 IonicContact NH2-OD1 3.89Å; R245-D538 PolarHBondContact NH2-OD1 3.11Å; I536-D538 PolarHBondContact O-N 3.03Å; D538-H540 PolarHBondContact O-N 2.94Å; D538-G541 PolarHBondContact O-N 2.91Å; D538-G541 VanDerWaalsContact O-N 3.12Å; D538-G541 PolarHBondContact OD1-N 3.07Å; D538-R543 WeakPolarHBondContact OD2-CG 3.3Å; D538-R543 IonicContact OD2-CZ 2.77Å; D538-R543 IonicContact OD2-NE 3.93Å; D538-R543 PolarHBondContact OD2-NE 2.78Å; D538-R543 IonicContact OD2-NH2 3.74Å; D538-R543 PolarHBondContact OD2-NH2 3.33Å | ||
| 539 | H | 38.4 | Very low | 37.6 | Very low | 104 Ų | 104 | 110.6 Ų | 110.6 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.8 | -11.5 | -168.5 | -79.1 | 96.8 | 0 | 0 | 0 | 114.3 | S537 | S537-H539 PolarHBondContact O-N 2.91Å; S537-H539 PolarHBondContact O-ND1 3.32Å; S537-H539 PolarHBondContact OG-CE1 2.96Å; S537-H539 PolarHBondContact OG-NE2 2.86Å |
| 540 | H | 40 | Very low | 38.6 | Very low | 94 Ų | 94 | 107 Ų | 107 | 44% | 0.435 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.6 | -5.9 | -179.3 | -60.8 | -10.2 | 0 | 0 | 0 | 113.6 | R245 D538 D542 | R245-H540 PolarHBondContact NH1-O 2.93Å; D538-H540 PolarHBondContact O-N 2.94Å; H540-D542 PolarHBondContact O-N 3.22Å; H540-D542 VanDerWaalsContact O-N 3.15Å; H540-D542 VanDerWaalsContact O-OD2 3.13Å |
| 541 | G | 34.3 | Very low | 39.3 | Very low | 55 Ų | 55 | 107.1 Ų | 107.1 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | trans | 80.6 | -21.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | D538 R543 | D538-G541 PolarHBondContact O-N 2.91Å; D538-G541 VanDerWaalsContact O-N 3.12Å; D538-G541 PolarHBondContact OD1-N 3.07Å; G541-R543 PolarHBondContact O-N 3.48Å | ||
| 542 | D | 38.4 | Very low | 40.3 | Very low | 123 Ų | 123 | 103.9 Ų | 103.9 | 66% | 0.658 | 52% | 0.52 | S | S | * | . | trans | -91.4 | 42.9 | -170.8 | -33.6 | -63.7 | 0 | 0 | 0 | 116.6 | R245 H540 D544 | R245-D542 IonicContact CZ-OD2 2.75Å; R245-D542 VanDerWaalsContact NH1-CB 3.33Å; R245-D542 VanDerWaalsContact NH1-CG 3.3Å; R245-D542 IonicContact NH1-OD2 3.31Å; R245-D542 PolarHBondContact NH1-OD2 2.9Å; H540-D542 PolarHBondContact O-N 3.22Å; H540-D542 VanDerWaalsContact O-N 3.15Å; H540-D542 VanDerWaalsContact O-OD2 3.13Å; D542-D544 PolarHBondContact O-N 3.31Å | ||
| 543 | R | 45.3 | Very low | 41.1 | Very low | 131 Ų | 131 | 99.2 Ų | 99.2 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | trans | -71.2 | 109.9 | 174.3 | -87 | 177.7 | -67.9 | 156.4 | 2.9 | 112.5 | D538 G541 L545 | D538-R543 WeakPolarHBondContact OD2-CG 3.3Å; D538-R543 IonicContact OD2-CZ 2.77Å; D538-R543 IonicContact OD2-NE 3.93Å; D538-R543 PolarHBondContact OD2-NE 2.78Å; D538-R543 IonicContact OD2-NH2 3.74Å; D538-R543 PolarHBondContact OD2-NH2 3.33Å; G541-R543 PolarHBondContact O-N 3.48Å; R543-L545 HydrophobicContact CB-CD1 3.69Å; R543-L545 HydrophobicContact CB-CG 4.05Å; R543-L545 PolarHBondContact O-N 3.19Å | ||
| 544 | D | 46.3 | Very low | 41.3 | Very low | 81 Ų | 81 | 96.2 Ų | 96.2 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | trans | -78.9 | 77.9 | 155.6 | -162.4 | -28.1 | 0 | 0 | 0 | 110.7 | D542 K546 I547 E548 | D542-D544 PolarHBondContact O-N 3.31Å; D544-K546 PolarHBondContact O-N 3.32Å; D544-K546 VanDerWaalsContact O-N 3.08Å; D544-K546 VanDerWaalsContact OD1-CA 3.24Å; D544-K546 WeakPolarHBondContact OD1-CA 3.23Å; D544-K546 WeakPolarHBondContact OD1-CB 3.37Å; D544-K546 PolarHBondContact OD1-N 2.9Å; D544-I547 HydrophobicContact CB-CB 4.24Å; D544-I547 HydrophobicContact CB-CD1 4.27Å; D544-I547 HydrophobicContact CB-CG1 4.35Å; D544-I547 PolarHBondContact O-N 3.22Å; D544-I547 PolarHBondContact OD1-N 2.86Å; D544-I547 VanDerWaalsContact OD2-CD1 3.32Å; D544-I547 WeakPolarHBondContact OD2-CD1 3.32Å; D544-I547 WeakPolarHBondContact OD2-CG1 3.34Å; D544-E548 PolarHBondContact O-N 3.17Å; D544-E548 VanDerWaalsContact O-N 3.08Å | ||
| 545 | L | 52 | Low | 41.7 | Very low | 81 Ų | 81 | 87.3 Ų | 87.3 | 42% | 0.424 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.4 | -15.3 | 171.4 | -73.3 | 119.7 | 0 | 0 | 0 | 113.1 | R543 K549 | R543-L545 HydrophobicContact CB-CD1 3.69Å; R543-L545 HydrophobicContact CB-CG 4.05Å; R543-L545 PolarHBondContact O-N 3.19Å; L545-K549 WeakPolarHBondContact O-CB 3.39Å; L545-K549 PolarHBondContact O-N 3.47Å |
| 546 | K | 47.3 | Very low | 41.9 | Very low | 165 Ų | 165 | 89 Ų | 89 | 72% | 0.717 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -80.2 | -44.3 | 178.7 | -143.1 | 179.7 | -175.7 | -177.8 | 0 | 109.8 | D544 L550 | D544-K546 PolarHBondContact O-N 3.32Å; D544-K546 VanDerWaalsContact O-N 3.08Å; D544-K546 VanDerWaalsContact OD1-CA 3.24Å; D544-K546 WeakPolarHBondContact OD1-CA 3.23Å; D544-K546 WeakPolarHBondContact OD1-CB 3.37Å; D544-K546 PolarHBondContact OD1-N 2.9Å; K546-L550 WeakPolarHBondContact O-CB 3.48Å; K546-L550 VanDerWaalsContact O-CG 3.25Å; K546-L550 WeakPolarHBondContact O-CG 3.27Å; K546-L550 PolarHBondContact O-N 3.12Å |
| 547 | I | 47.9 | Very low | 41.7 | Very low | 92 Ų | 92 | 86.4 Ų | 86.4 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 172.5 | -69.1 | 175 | 0 | 0 | 0 | 110.7 | D544 K549 L550 L551 | D544-I547 HydrophobicContact CB-CB 4.24Å; D544-I547 HydrophobicContact CB-CD1 4.27Å; D544-I547 HydrophobicContact CB-CG1 4.35Å; D544-I547 PolarHBondContact O-N 3.22Å; D544-I547 PolarHBondContact OD1-N 2.86Å; D544-I547 VanDerWaalsContact OD2-CD1 3.32Å; D544-I547 WeakPolarHBondContact OD2-CD1 3.32Å; D544-I547 WeakPolarHBondContact OD2-CG1 3.34Å; I547-K549 VanDerWaalsContact C-N 3.27Å; I547-K549 PolarHBondContact O-N 3.09Å; I547-L550 PolarHBondContact O-N 2.73Å; I547-L550 VanDerWaalsContact O-N 3.15Å; I547-L551 HydrophobicContact CG2-CD1 3.87Å; I547-L551 HydrophobicContact CG2-CG 4.27Å; I547-L551 WeakPolarHBondContact O-CG 3.2Å; I547-L551 PolarHBondContact O-N 2.99Å |
| 548 | E | 45.6 | Very low | 41.7 | Very low | 79 Ų | 79 | 90.2 Ų | 90.2 | 37% | 0.369 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.8 | -69.6 | -168.6 | 134.9 | 0 | 0 | 111.8 | D544 H552 | D544-E548 PolarHBondContact O-N 3.17Å; D544-E548 VanDerWaalsContact O-N 3.08Å; E548-H552 WeakPolarHBondContact O-CB 3.24Å; E548-H552 PolarHBondContact O-N 2.93Å |
| 549 | K | 49.2 | Very low | 41.2 | Very low | 129 Ų | 129 | 92.1 Ų | 92.1 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.4 | -33.5 | 176.7 | -168.4 | 168.9 | -174 | 172.8 | 0 | 113.2 | L545 I547 N553 | L545-K549 WeakPolarHBondContact O-CB 3.39Å; L545-K549 PolarHBondContact O-N 3.47Å; I547-K549 VanDerWaalsContact C-N 3.27Å; I547-K549 PolarHBondContact O-N 3.09Å; K549-N553 WeakPolarHBondContact O-CB 3.19Å; K549-N553 PolarHBondContact O-N 3.48Å; K549-N553 PolarHBondContact O-OD1 3.24Å |
| 550 | L | 45.9 | Very low | 40.9 | Very low | 115 Ų | 115 | 91.9 Ų | 91.9 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | 172.1 | -80.5 | 165.8 | 0 | 0 | 0 | 111.4 | K546 I547 N553 A554 | K546-L550 WeakPolarHBondContact O-CB 3.48Å; K546-L550 VanDerWaalsContact O-CG 3.25Å; K546-L550 WeakPolarHBondContact O-CG 3.27Å; K546-L550 PolarHBondContact O-N 3.12Å; I547-L550 PolarHBondContact O-N 2.73Å; I547-L550 VanDerWaalsContact O-N 3.15Å; L550-N553 PolarHBondContact O-N 2.68Å; L550-A554 VanDerWaalsContact O-CB 3.31Å; L550-A554 WeakPolarHBondContact O-CB 3.26Å; L550-A554 PolarHBondContact O-N 3.11Å |
| 551 | L | 42 | Very low | 40.3 | Very low | 86 Ų | 86 | 91 Ų | 91 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 176.8 | -70.2 | 172.7 | 0 | 0 | 0 | 111.7 | I547 A554 A555 | I547-L551 HydrophobicContact CG2-CD1 3.87Å; I547-L551 HydrophobicContact CG2-CG 4.27Å; I547-L551 WeakPolarHBondContact O-CG 3.2Å; I547-L551 PolarHBondContact O-N 2.99Å; L551-A554 PolarHBondContact O-N 2.74Å; L551-A555 WeakPolarHBondContact O-CB 3.43Å; L551-A555 PolarHBondContact O-N 3.31Å |
| 552 | H | 48.1 | Very low | 40 | Very low | 39 Ų | 39 | 98.7 Ų | 98.7 | 18% | 0.181 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 173.9 | -173.9 | 86.1 | 0 | 0 | 0 | 112.3 | H496 E548 A554 A555 Q556 | H496-H552 AromaticContact CE1-CD2 3.2Å; H496-H552 PolarHBondContact CE1-CD2 2.71Å; H496-H552 AromaticContact CE1-CG 3.88Å; H496-H552 AromaticContact CE1-NE2 3.43Å; H496-H552 PolarHBondContact CE1-NE2 2.69Å; H496-H552 AromaticContact ND1-CD2 3.91Å; H496-H552 AromaticContact NE2-CD2 3.89Å; H496-H552 AromaticContact NE2-NE2 3.75Å; E548-H552 WeakPolarHBondContact O-CB 3.24Å; E548-H552 PolarHBondContact O-N 2.93Å; H552-A554 VanDerWaalsContact C-N 3.33Å; H552-A554 PolarHBondContact O-N 2.87Å; H552-A555 WeakPolarHBondContact O-CB 3.41Å; H552-A555 PolarHBondContact O-N 3.21Å; H552-Q556 PolarHBondContact CD2-NE2 3.41Å; H552-Q556 VanDerWaalsContact CD2-NE2 3.27Å; H552-Q556 PolarHBondContact NE2-NE2 2.99Å; H552-Q556 PolarHBondContact O-N 2.78Å |
| 553 | N | 44.1 | Very low | 39.4 | Very low | 79 Ų | 79 | 100.5 Ų | 100.5 | 42% | 0.422 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 176.1 | -74.1 | 15.8 | 0 | 0 | 0 | 112.1 | K549 L550 Q556 | K549-N553 WeakPolarHBondContact O-CB 3.19Å; K549-N553 PolarHBondContact O-N 3.48Å; K549-N553 PolarHBondContact O-OD1 3.24Å; L550-N553 PolarHBondContact O-N 2.68Å; N553-Q556 PolarHBondContact O-N 3.32Å |
| 554 | A | 35.2 | Very low | 38.6 | Very low | 45 Ų | 45 | 102.2 Ų | 102.2 | 37% | 0.372 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L550 L551 H552 Q556 C557 | L550-A554 VanDerWaalsContact O-CB 3.31Å; L550-A554 WeakPolarHBondContact O-CB 3.26Å; L550-A554 PolarHBondContact O-N 3.11Å; L551-A554 PolarHBondContact O-N 2.74Å; H552-A554 VanDerWaalsContact C-N 3.33Å; H552-A554 PolarHBondContact O-N 2.87Å; A554-Q556 PolarHBondContact O-N 3.45Å; A554-C557 PolarHBondContact O-N 2.03Å |
| 555 | A | 35.2 | Very low | 37.7 | Very low | 28 Ų | 28 | 109.9 Ų | 109.9 | 23% | 0.231 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -62 | -24 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P289 L551 H552 C557 | P289-A555 HydrophobicContact CG-CB 3.53Å; L551-A555 WeakPolarHBondContact O-CB 3.43Å; L551-A555 PolarHBondContact O-N 3.31Å; H552-A555 WeakPolarHBondContact O-CB 3.41Å; H552-A555 PolarHBondContact O-N 3.21Å; A555-C557 PolarHBondContact O-N 2.91Å |
| 556 | Q | 35.8 | Very low | 36.4 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | -11.2 | 174.2 | -66.6 | 178.3 | 7.4 | 0 | 0 | 113.3 | H552 N553 A554 | H552-Q556 PolarHBondContact CD2-NE2 3.41Å; H552-Q556 VanDerWaalsContact CD2-NE2 3.27Å; H552-Q556 PolarHBondContact NE2-NE2 2.99Å; H552-Q556 PolarHBondContact O-N 2.78Å; N553-Q556 PolarHBondContact O-N 3.32Å; A554-Q556 PolarHBondContact O-N 3.45Å |
| 557 | C | 30.8 | Very low | 35.5 | Very low | 75 Ų | 75 | 109 Ų | 109 | 51% | 0.507 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -114.7 | 133.2 | 176.5 | -65.9 | 0 | 0 | 0 | 0 | 110.8 | A554 A555 A559 | A554-C557 PolarHBondContact O-N 2.03Å; A555-C557 PolarHBondContact O-N 2.91Å; C557-A559 VanDerWaalsContact C-N 3.29Å; C557-A559 PolarHBondContact O-N 3.17Å |
| 558 | I | 35.5 | Very low | 34.6 | Very low | 141 Ų | 141 | 111 Ų | 111 | 72% | 0.723 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -81.5 | 73.1 | -178.3 | -51.1 | 178.7 | 0 | 0 | 0 | 110.6 | ||
| 559 | A | 29.1 | Very low | 33.7 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | trans | -164 | 100.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C557 | C557-A559 VanDerWaalsContact C-N 3.29Å; C557-A559 PolarHBondContact O-N 3.17Å | ||
| 560 | V | 31.6 | Very low | 32.6 | Very low | 99 Ų | 99 | 112.9 Ų | 112.9 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | trans | -135.2 | 77.4 | 159 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | Y562 | V560-Y562 HydrophobicContact CG1-CD2 3.69Å; V560-Y562 HydrophobicContact CG1-CE2 3.93Å | ||
| 561 | G | 25.9 | Very low | 31.8 | Very low | 75 Ų | 75 | 113.9 Ų | 113.9 | 77% | 0.773 | 60% | 0.599 | S | S | * | * | trans | -79 | 120.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 562 | Y | 28.2 | Very low | 31.2 | Very low | 216 Ų | 216 | 117.4 Ų | 117.4 | 85% | 0.847 | 62% | 0.618 | S | S | * | * | trans | -119.9 | 95.7 | 161.5 | -91 | -71.6 | 0 | 0 | 0 | 109.3 | V560 | V560-Y562 HydrophobicContact CG1-CD2 3.69Å; V560-Y562 HydrophobicContact CG1-CE2 3.93Å | ||
| 563 | E | 26.3 | Very low | 30.3 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 75% | 0.752 | 65% | 0.646 | S | S | * | * | trans | -70.3 | -179 | 166.7 | -68.2 | -167.7 | 129.2 | 0 | 0 | 111.7 | ||||
| 564 | Y | 27.9 | Very low | 29.6 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 66% | 0.659 | 67% | 0.667 | S | S | * | * | trans | 73 | 87.8 | 169.9 | -68.7 | -94 | 0 | 0 | 0 | 117.8 | P567 | Y564-P567 HydrophobicContact CD1-CG 4.26Å; Y564-P567 VanDerWaalsContact CE1-CD 3.5Å; Y564-P567 HydrophobicContact CE1-CG 3.57Å | ||
| 565 | R | 27.4 | Very low | 29.3 | Very low | 241 Ų | 241 | 127.9 Ų | 127.9 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | S | Bend | -126.1 | 122 | 102.3 | -67.8 | -163.3 | 179.3 | -153.7 | 0.7 | 110.8 | |||
| 566 | N | 25.9 | Very low | 29 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | 50.6 | 86.9 | 179 | -72.3 | -7.7 | 0 | 0 | 0 | 116.8 | ||||
| 567 | P | 28.9 | Very low | 28.8 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 47% | 0.468 | 73% | 0.727 | S | S | . | * | trans | -61 | 140.7 | 157.5 | 29.3 | -35.6 | 0 | 0 | 0 | 110.3 | Y564 K569 | Y564-P567 HydrophobicContact CD1-CG 4.26Å; Y564-P567 VanDerWaalsContact CE1-CD 3.5Å; Y564-P567 HydrophobicContact CE1-CG 3.57Å; P567-K569 PolarHBondContact O-N 3.21Å | ||
| 568 | I | 27.4 | Very low | 28.8 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | -64.3 | 120.4 | 159.6 | -65 | 172 | 0 | 0 | 0 | 106.5 | C570 | I568-C570 VanDerWaalsContact C-N 3.26Å; I568-C570 PolarHBondContact O-N 3.28Å | ||
| 569 | K | 26.8 | Very low | 28.7 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | trans | -69.9 | 80.4 | 173.9 | -76.8 | -169.9 | 172.8 | -171.4 | 0 | 110.9 | P567 N571 | P567-K569 PolarHBondContact O-N 3.21Å; K569-N571 PolarHBondContact O-N 2.96Å | ||
| 570 | C | 27.8 | Very low | 28.8 | Very low | 62 Ų | 62 | 145.6 Ų | 145.6 | 42% | 0.419 | 75% | 0.752 | S | S | . | * | trans | -76.7 | 109.4 | 150 | -62 | 0 | 0 | 0 | 0 | 106.8 | I568 L572 C621 | I568-C570 VanDerWaalsContact C-N 3.26Å; I568-C570 PolarHBondContact O-N 3.28Å; C570-L572 PolarHBondContact O-N 3.41Å; C570-C621 HydrophobicContact CB-CB 4.19Å; C570-C621 WeakPolarHBondContact CB-SG 3.3Å; C570-C621 WeakPolarHBondContact SG-CB 3.42Å; C570-C621 CovalentContact SG-SG 2.05Å; C570-C621 PolarHBondContact SG-SG 3.34Å | ||
| 571 | N | 27.7 | Very low | 28.7 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -62.9 | 122.7 | 169.5 | -86.4 | 2.4 | 0 | 0 | 0 | 108.4 | K569 D573 | K569-N571 PolarHBondContact O-N 2.96Å; N571-D573 PolarHBondContact O-N 3.37Å | ||
| 572 | L | 30.6 | Very low | 29 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -80.4 | 103.3 | 163 | -83 | 161.9 | 0 | 0 | 0 | 108 | C570 T574 | C570-L572 PolarHBondContact O-N 3.41Å; L572-T574 PolarHBondContact O-N 3.33Å; L572-T574 VanDerWaalsContact O-N 3.15Å | ||
| 573 | D | 28.9 | Very low | 29.1 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -66.5 | 109.2 | 167.7 | -87.5 | -38.5 | 0 | 0 | 0 | 109.3 | N571 S575 | N571-D573 PolarHBondContact O-N 3.37Å; D573-S575 PolarHBondContact O-N 2.96Å | ||
| 574 | T | 28.6 | Very low | 29.3 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -81.5 | 62.5 | -174.9 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | L572 | L572-T574 PolarHBondContact O-N 3.33Å; L572-T574 VanDerWaalsContact O-N 3.15Å | ||
| 575 | S | 28.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -127.6 | 48.1 | -177.9 | 71.3 | 0 | 0 | 0 | 0 | 114.7 | D573 | D573-S575 PolarHBondContact O-N 2.96Š| ||
| 576 | M | 30.7 | Very low | 29.5 | Very low | 195 Ų | 195 | 134 Ų | 134 | 96% | 0.961 | 76% | 0.757 | S | S | * | * | trans | -126.8 | 93.1 | 159.5 | -68.5 | -157.1 | 80.8 | 0 | 0 | 110.5 | ||||
| 577 | T | 31.6 | Very low | 29.8 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -109.7 | 133.3 | 175.4 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 578 | K | 30.9 | Very low | 29.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 53.7 | 105.7 | 148.4 | -62.3 | -178.6 | -178.8 | -179.4 | 0 | 117.7 | ||||
| 579 | N | 32.9 | Very low | 29.8 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 168.7 | 122.7 | 98.3 | -83.8 | -32.9 | 0 | 0 | 0 | 111.1 | |||||
| 580 | D | 30.1 | Very low | 29.9 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | -161.8 | 123.8 | 129 | -131.6 | -17.2 | 0 | 0 | 0 | 110.7 | |||||
| 581 | P | 30.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -124.7 | 120.8 | 180 | 36 | -22 | 0 | 0 | 0 | 114.3 | ||||
| 582 | T | 31.7 | Very low | 29.8 | Very low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 176.7 | 148.8 | 158.8 | 22.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 583 | T | 30.7 | Very low | 29.6 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | cis | -151.1 | 127.5 | 5.1 | -13.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 584 | T | 29.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | 43.4 | 126.6 | 140.7 | 56.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 585 | G | 30.3 | Very low | 29.4 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -176.9 | 104.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 586 | N | 28.9 | Very low | 29.5 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -52.8 | 165.5 | 175.5 | -61.4 | -28 | 0 | 0 | 0 | 114.2 | ||||
| 587 | V | 32.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | cis | -150.3 | 158.3 | 44.2 | 177.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 588 | N | 29.5 | Very low | 29.1 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 162.7 | -172.6 | -47.7 | -30.7 | 0 | 0 | 0 | 117.1 | ||||
| 589 | N | 28 | Very low | 29.1 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | 76.3 | 130.8 | 132.2 | -84.5 | 40.9 | 0 | 0 | 0 | 125 | ||||
| 590 | D | 28.1 | Very low | 29 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 60% | 0.599 | 78% | 0.784 | S | S | * | * | 95.7 | 127.2 | 123.6 | -74 | -16.6 | 0 | 0 | 0 | 125.2 | |||||
| 591 | Y | 27.3 | Very low | 28.9 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | 71.8 | 124.9 | 144.8 | -68.1 | -54.7 | 0 | 0 | 0 | 125.4 | ||||
| 592 | L | 27 | Very low | 28.9 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 71.4 | 110.6 | 133.5 | -67.7 | 166.9 | 0 | 0 | 0 | 122.5 | ||||
| 593 | V | 25.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | 57.1 | 106.7 | 130.4 | -176.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 594 | S | 27.4 | Very low | 28.8 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | -159.8 | 152.7 | 128.9 | 52 | 0 | 0 | 0 | 0 | 111 | |||||
| 595 | N | 26 | Very low | 28.7 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -81.1 | 117.1 | 171.8 | -77.8 | -28 | 0 | 0 | 0 | 109.2 | ||||
| 596 | H | 30.7 | Very low | 28.5 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | -136.5 | 136.1 | 168.5 | -98.1 | -84.4 | 0 | 0 | 0 | 111.6 | G598 | H596-G598 PolarHBondContact O-N 3.46Š| ||
| 597 | M | 26.3 | Very low | 28.5 | Very low | 195 Ų | 195 | 132 Ų | 132 | 96% | 0.961 | 76% | 0.761 | S | S | * | * | trans | -72 | 122.1 | 163.3 | -62.7 | 169.1 | 74.1 | 0 | 0 | 107.5 | ||||
| 598 | G | 27.8 | Very low | 28.2 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | -157 | 126.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H596 | H596-G598 PolarHBondContact O-N 3.46Š| ||
| 599 | S | 29.9 | Very low | 28 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -98.7 | 108.6 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 600 | T | 31.2 | Very low | 27.9 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -145.2 | 110.1 | 166.1 | 34.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 601 | C | 28.8 | Very low | 27.9 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 53% | 0.534 | 76% | 0.761 | S | S | . | * | trans | -74.5 | 131.5 | 146.1 | -70.4 | 0 | 0 | 0 | 0 | 106.4 | T603 | C601-T603 PolarHBondContact O-N 2.92Š| ||
| 602 | D | 30.5 | Very low | 28 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 128.1 | 177 | -160.2 | -49.6 | 0 | 0 | 0 | 109.4 | S604 | D602-S604 VanDerWaalsContact C-N 3.35Å; D602-S604 WeakPolarHBondContact OD1-CB 3.24Å; D602-S604 PolarHBondContact OD1-N 3.35Å; D602-S604 VanDerWaalsContact OD1-N 3.15Å; D602-S604 PolarHBondContact OD1-OG 2.93Å | ||
| 603 | T | 28.8 | Very low | 28.1 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -93.7 | 8.7 | -171.1 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | C601 | C601-T603 PolarHBondContact O-N 2.92Š| ||
| 604 | S | 30.8 | Very low | 28.3 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -18.6 | -171.8 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | D602 | D602-S604 VanDerWaalsContact C-N 3.35Å; D602-S604 WeakPolarHBondContact OD1-CB 3.24Å; D602-S604 PolarHBondContact OD1-N 3.35Å; D602-S604 VanDerWaalsContact OD1-N 3.15Å; D602-S604 PolarHBondContact OD1-OG 2.93Å |
| 605 | E | 27.7 | Very low | 28.5 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 21.3 | -176.9 | -63 | -162.5 | 141.7 | 0 | 0 | 114.8 | P607 | E605-P607 WeakPolarHBondContact O-CD 3.3Š|
| 606 | A | 26 | Very low | 28.7 | Very low | 82 Ų | 82 | 132.4 Ų | 132.4 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | -102 | 93.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 607 | P | 29.6 | Very low | 28.7 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | trans | -70.8 | 135.8 | 150.1 | 32.4 | -31.1 | 0 | 0 | 0 | 108.3 | E605 | E605-P607 WeakPolarHBondContact O-CD 3.3Š| ||
| 608 | G | 26 | Very low | 28.8 | Very low | 57 Ų | 57 | 127.4 Ų | 127.4 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | cis | 116.9 | 92.1 | 9.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 609 | Y | 25.7 | Very low | 28.9 | Very low | 208 Ų | 208 | 128.8 Ų | 128.8 | 82% | 0.816 | 69% | 0.692 | S | S | * | * | trans | 74.2 | 156.3 | 172.7 | -60.8 | -97.8 | 0 | 0 | 0 | 119.3 | ||||
| 610 | Y | 26.4 | Very low | 29 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 49% | 0.486 | 68% | 0.682 | S | S | . | * | trans | 67.2 | 87.1 | 156.2 | -57.1 | -56.5 | 0 | 0 | 0 | 120.3 | H613 Y614 | Y610-H613 HydrophobicContact CD1-CB 3.45Å; Y610-H613 VanDerWaalsContact CD1-CB 3.45Å; Y610-H613 HydrophobicContact CE1-CB 3.62Å; Y610-H613 HydrophobicContact CG-CB 4.33Å; Y610-Y614 HydrophobicContact CD1-CD2 4.46Å; Y610-Y614 AromaticContact CD2-CD2 3.55Å; Y610-Y614 HydrophobicContact CD2-CD2 3.55Å; Y610-Y614 AromaticContact CD2-CE2 3.47Å; Y610-Y614 HydrophobicContact CD2-CE2 3.47Å; Y610-Y614 VanDerWaalsContact CD2-CE2 3.47Å; Y610-Y614 HydrophobicContact CE2-CD2 4.23Å; Y610-Y614 AromaticContact CE2-CE2 3.78Å; Y610-Y614 HydrophobicContact CE2-CE2 3.78Å; Y610-Y614 AromaticContact CG-CD2 3.69Å; Y610-Y614 HydrophobicContact CG-CD2 3.69Å; Y610-Y614 HydrophobicContact CG-CE2 4.1Å | ||
| 611 | Y | 27.7 | Very low | 29 | Very low | 242 Ų | 242 | 125.9 Ų | 125.9 | 95% | 0.949 | 66% | 0.657 | S | S | * | * | S | Bend | -96.8 | 157 | 117.7 | -90.9 | -105.5 | 0 | 0 | 0 | 109.2 | |||
| 612 | G | 29.1 | Very low | 29.4 | Very low | 53 Ų | 53 | 130 Ų | 130 | 55% | 0.546 | 67% | 0.674 | S | S | . | * | S | Bend | trans | 102.4 | -35.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 613 | H | 29.3 | Very low | 29.9 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 65% | 0.653 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -117.6 | -2.3 | -167.9 | -143.2 | -54 | 0 | 0 | 0 | 117 | Y610 | Y610-H613 HydrophobicContact CD1-CB 3.45Å; Y610-H613 VanDerWaalsContact CD1-CB 3.45Å; Y610-H613 HydrophobicContact CE1-CB 3.62Å; Y610-H613 HydrophobicContact CG-CB 4.33Å |
| 614 | Y | 28.7 | Very low | 30.3 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 46% | 0.459 | 64% | 0.642 | S | S | . | * | trans | -108.9 | -0.1 | -166.8 | -106.4 | -89.5 | 0 | 0 | 0 | 118.6 | Y610 R616 K617 | Y610-Y614 HydrophobicContact CD1-CD2 4.46Å; Y610-Y614 AromaticContact CD2-CD2 3.55Å; Y610-Y614 HydrophobicContact CD2-CD2 3.55Å; Y610-Y614 AromaticContact CD2-CE2 3.47Å; Y610-Y614 HydrophobicContact CD2-CE2 3.47Å; Y610-Y614 VanDerWaalsContact CD2-CE2 3.47Å; Y610-Y614 HydrophobicContact CE2-CD2 4.23Å; Y610-Y614 AromaticContact CE2-CE2 3.78Å; Y610-Y614 HydrophobicContact CE2-CE2 3.78Å; Y610-Y614 AromaticContact CG-CD2 3.69Å; Y610-Y614 HydrophobicContact CG-CD2 3.69Å; Y610-Y614 HydrophobicContact CG-CE2 4.1Å; Y614-R616 PolarHBondContact O-N 3.27Å; Y614-K617 HydrophobicContact CD1-CB 3.74Å; Y614-K617 WeakPolarHBondContact CD1-O 3.41Å; Y614-K617 HydrophobicContact CE1-CB 3.44Å; Y614-K617 VanDerWaalsContact CE1-CB 3.44Å; Y614-K617 HydrophobicContact CE1-CD 4.29Å; Y614-K617 HydrophobicContact CE1-CG 4.49Å; Y614-K617 PolarHBondContact O-N 3.39Å; Y614-K617 VanDerWaalsContact O-N 3.12Å | ||
| 615 | L | 31.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -4.6 | 170.2 | -83.8 | 172.4 | 0 | 0 | 0 | 114.3 | ||
| 616 | R | 31.1 | Very low | 31 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 5.5 | 175.9 | -68.4 | -174.2 | 176 | -171.2 | 2.3 | 115.2 | E402 Y614 | E402-R616 VanDerWaalsContact CD-NH2 3.27Å; E402-R616 IonicContact OE1-CZ 3.35Å; E402-R616 IonicContact OE1-NE 2.76Å; E402-R616 PolarHBondContact OE1-NE 3.27Å; E402-R616 IonicContact OE1-NH2 3.13Å; E402-R616 PolarHBondContact OE1-NH2 3.35Å; E402-R616 VanDerWaalsContact OE1-NH2 3.13Å; E402-R616 IonicContact OE2-CZ 3.55Å; E402-R616 IonicContact OE2-NE 3.63Å; E402-R616 IonicContact OE2-NH2 2.67Å; E402-R616 PolarHBondContact OE2-NH2 2.86Å; Y614-R616 PolarHBondContact O-N 3.27Å |
| 617 | K | 29.6 | Very low | 31.7 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 64% | 0.643 | 63% | 0.625 | S | S | * | * | trans | -144.3 | 58.4 | 178.6 | -77.5 | -170 | 178.6 | 178.6 | 0 | 113.1 | Y614 | Y614-K617 HydrophobicContact CD1-CB 3.74Å; Y614-K617 WeakPolarHBondContact CD1-O 3.41Å; Y614-K617 HydrophobicContact CE1-CB 3.44Å; Y614-K617 VanDerWaalsContact CE1-CB 3.44Å; Y614-K617 HydrophobicContact CE1-CD 4.29Å; Y614-K617 HydrophobicContact CE1-CG 4.49Å; Y614-K617 PolarHBondContact O-N 3.39Å; Y614-K617 VanDerWaalsContact O-N 3.12Å | ||
| 618 | L | 28.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 58% | 0.581 | 61% | 0.605 | S | S | * | * | trans | -67.9 | 147.6 | 156.5 | -80.3 | 164.4 | 0 | 0 | 0 | 109.6 | L628 | L618-L628 HydrophobicContact CB-CD1 3.95Å; L618-L628 HydrophobicContact CD1-CD1 3.55Å; L618-L628 HydrophobicContact CD1-CD2 3.77Å; L618-L628 HydrophobicContact CD1-CG 4.32Å; L618-L628 HydrophobicContact CG-CD1 4.38Å | ||
| 619 | P | 30.7 | Very low | 33.8 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 66% | 0.662 | 59% | 0.592 | S | S | * | * | trans | -59.5 | 145.4 | 176.3 | -22.6 | 33.5 | 0 | 0 | 0 | 111.7 | C621 | P619-C621 PolarHBondContact O-N 2.95Š| ||
| 620 | K | 31.6 | Very low | 35.5 | Very low | 153 Ų | 153 | 118.5 Ų | 118.5 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | trans | -71.1 | 88.6 | 170.8 | -67.8 | -169.6 | 172.5 | -154.1 | 0 | 110.4 | D625 | K620-D625 IonicContact NZ-OD2 3.75Š| ||
| 621 | C | 30.3 | Very low | 37 | Very low | 42 Ų | 42 | 115.6 Ų | 115.6 | 28% | 0.284 | 57% | 0.57 | S | S | . | * | trans | -68 | 133 | 151.9 | -54.9 | 0 | 0 | 0 | 0 | 106.1 | C570 P619 D623 S624 | C570-C621 HydrophobicContact CB-CB 4.19Å; C570-C621 WeakPolarHBondContact CB-SG 3.3Å; C570-C621 WeakPolarHBondContact SG-CB 3.42Å; C570-C621 CovalentContact SG-SG 2.05Å; C570-C621 PolarHBondContact SG-SG 3.34Å; P619-C621 PolarHBondContact O-N 2.95Å; C621-D623 PolarHBondContact O-N 3.44Å; C621-S624 PolarHBondContact N-OG 3.46Å; C621-S624 WeakPolarHBondContact O-CB 3.45Å; C621-S624 PolarHBondContact O-N 3.43Å; C621-S624 PolarHBondContact O-OG 2.95Å | ||
| 622 | N | 38.3 | Very low | 38.5 | Very low | 166 Ų | 166 | 109.6 Ų | 109.6 | 89% | 0.888 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 4.2 | -165.4 | -79.3 | -25.7 | 0 | 0 | 0 | 116.5 | ||
| 623 | D | 40.1 | Very low | 40 | Very low | 135 Ų | 135 | 109.8 Ų | 109.8 | 72% | 0.722 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -6.4 | 166.7 | -106 | -47.7 | 0 | 0 | 0 | 113.5 | C621 | C621-D623 PolarHBondContact O-N 3.44Š|
| 624 | S | 37.9 | Very low | 42.2 | Very low | 17 Ų | 17 | 106.8 Ų | 106.8 | 12% | 0.119 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -78 | -22.3 | -168.9 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | C621 R626 I627 L628 | C621-S624 PolarHBondContact N-OG 3.46Å; C621-S624 WeakPolarHBondContact O-CB 3.45Å; C621-S624 PolarHBondContact O-N 3.43Å; C621-S624 PolarHBondContact O-OG 2.95Å; S624-R626 PolarHBondContact O-N 2.86Å; S624-R626 VanDerWaalsContact O-N 3.07Å; S624-I627 PolarHBondContact O-N 2.96Å; S624-L628 PolarHBondContact O-N 3.32Å |
| 625 | D | 35.8 | Very low | 43.9 | Very low | 110 Ų | 110 | 105.8 Ų | 105.8 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -20.8 | 179.1 | -77.1 | -8.2 | 0 | 0 | 0 | 112.3 | K620 | K620-D625 IonicContact NZ-OD2 3.75Å |
| 626 | R | 37.2 | Very low | 45.6 | Very low | 215 Ų | 215 | 102.1 Ų | 102.1 | 81% | 0.811 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -84.9 | -30.5 | 170.5 | -102.9 | -179.4 | 166.5 | 179.7 | -4.4 | 114.6 | S624 S629 | S624-R626 PolarHBondContact O-N 2.86Å; S624-R626 VanDerWaalsContact O-N 3.07Å; R626-S629 PolarHBondContact O-OG 3.38Å |
| 627 | I | 40.2 | Very low | 47.4 | Very low | 89 Ų | 89 | 93.9 Ų | 93.9 | 46% | 0.456 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -95.1 | -23.7 | -171.3 | -60.8 | 173.9 | 0 | 0 | 0 | 112 | S624 Y632 | S624-I627 PolarHBondContact O-N 2.96Å; I627-Y632 HydrophobicContact CG2-CE1 4.38Å; I627-Y632 WeakPolarHBondContact O-CD1 3.27Å |
| 628 | L | 49.2 | Very low | 49.4 | Very low | 72 Ų | 72 | 89.3 Ų | 89.3 | 38% | 0.377 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -105.1 | 7 | 175.8 | -73 | 168 | 0 | 0 | 0 | 113.7 | L618 S624 K630 | L618-L628 HydrophobicContact CB-CD1 3.95Å; L618-L628 HydrophobicContact CD1-CD1 3.55Å; L618-L628 HydrophobicContact CD1-CD2 3.77Å; L618-L628 HydrophobicContact CD1-CG 4.32Å; L618-L628 HydrophobicContact CG-CD1 4.38Å; S624-L628 PolarHBondContact O-N 3.32Å; L628-K630 PolarHBondContact O-N 3.24Å |
| 629 | S | 50.5 | Low | 51.1 | Low | 45 Ų | 45 | 88.9 Ų | 88.9 | 32% | 0.315 | 45% | 0.453 | S | S | . | . | trans | -60.9 | 139.4 | 173 | 71.7 | 0 | 0 | 0 | 0 | 110.3 | R626 S631 Y632 I633 | R626-S629 PolarHBondContact O-OG 3.38Å; S629-S631 PolarHBondContact O-N 3.13Å; S629-Y632 WeakPolarHBondContact O-CA 3.29Å; S629-Y632 WeakPolarHBondContact O-CB 3.13Å; S629-Y632 PolarHBondContact O-N 2.89Å; S629-Y632 WeakPolarHBondContact OG-CB 3.4Å; S629-Y632 PolarHBondContact OG-N 2.77Å; S629-I633 PolarHBondContact O-N 2.89Å; S629-I633 VanDerWaalsContact O-N 3.16Å | ||
| 630 | K | 61.6 | Low | 53 | Low | 87 Ų | 87 | 85.8 Ų | 85.8 | 38% | 0.378 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54.5 | -39.2 | 177.3 | -62.5 | -169.7 | -169.6 | 179.3 | 0 | 111.7 | E402 L628 Y632 I633 W634 | E402-K630 WeakPolarHBondContact OE2-CE 3.38Å; E402-K630 IonicContact OE2-NZ 2.82Å; E402-K630 PolarHBondContact OE2-NZ 3.12Å; L628-K630 PolarHBondContact O-N 3.24Å; K630-Y632 VanDerWaalsContact C-N 3.31Å; K630-Y632 PolarHBondContact O-N 3.44Å; K630-I633 PolarHBondContact O-N 3.44Å; K630-I633 VanDerWaalsContact O-N 3.14Å; K630-W634 HydrophobicContact CB-CD2 4.25Å; K630-W634 HydrophobicContact CB-CH2 4.24Å; K630-W634 HydrophobicContact CB-CZ2 3.83Å; K630-W634 HydrophobicContact CD-CH2 4.37Å; K630-W634 HydrophobicContact CD-CZ2 3.86Å; K630-W634 HydrophobicContact CG-CZ2 4.48Å; K630-W634 WeakPolarHBondContact O-CB 3.3Å; K630-W634 PolarHBondContact O-N 3.43Å |
| 631 | S | 58.3 | Low | 54.9 | Low | 64 Ų | 64 | 78.7 Ų | 78.7 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.3 | -37 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 113 | S629 N635 | S629-S631 PolarHBondContact O-N 3.13Å; S631-N635 WeakPolarHBondContact O-CB 3.45Å; S631-N635 PolarHBondContact O-N 2.8Å; S631-N635 PolarHBondContact O-ND2 3Å; S631-N635 PolarHBondContact O-OD1 2.89Å |
| 632 | Y | 58.8 | Low | 56.8 | Low | 115 Ų | 115 | 81 Ų | 81 | 45% | 0.451 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 173.5 | -178.3 | -92 | 0 | 0 | 0 | 112.1 | I627 S629 K630 N635 M636 | I627-Y632 HydrophobicContact CG2-CE1 4.38Å; I627-Y632 WeakPolarHBondContact O-CD1 3.27Å; S629-Y632 WeakPolarHBondContact O-CA 3.29Å; S629-Y632 WeakPolarHBondContact O-CB 3.13Å; S629-Y632 PolarHBondContact O-N 2.89Å; S629-Y632 WeakPolarHBondContact OG-CB 3.4Å; S629-Y632 PolarHBondContact OG-N 2.77Å; K630-Y632 VanDerWaalsContact C-N 3.31Å; K630-Y632 PolarHBondContact O-N 3.44Å; Y632-N635 PolarHBondContact O-N 2.78Å; Y632-M636 WeakPolarHBondContact O-CB 3.22Å; Y632-M636 PolarHBondContact O-N 3.1Å |
| 633 | I | 61 | Low | 58.1 | Low | 58 Ų | 58 | 76.5 Ų | 76.5 | 30% | 0.297 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 175.7 | -64.5 | 171.1 | 0 | 0 | 0 | 110.2 | S629 K630 N635 M636 I637 | S629-I633 PolarHBondContact O-N 2.89Å; S629-I633 VanDerWaalsContact O-N 3.16Å; K630-I633 PolarHBondContact O-N 3.44Å; K630-I633 VanDerWaalsContact O-N 3.14Å; I633-N635 PolarHBondContact O-N 3.31Å; I633-M636 PolarHBondContact O-N 3.41Å; I633-I637 HydrophobicContact CG2-CD1 3.8Å; I633-I637 HydrophobicContact CG2-CG1 4.47Å; I633-I637 WeakPolarHBondContact O-CB 3.44Å; I633-I637 VanDerWaalsContact O-CG1 3.28Å; I633-I637 WeakPolarHBondContact O-CG1 3.42Å; I633-I637 PolarHBondContact O-N 3.29Å |
| 634 | W | 74.8 | Confident | 59.3 | Low | 77 Ų | 77 | 70.4 Ų | 70.4 | 29% | 0.292 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 176.6 | -57.5 | -19.6 | 0 | 0 | 0 | 112.2 | E402 P404 K630 I637 D638 | E402-W634 WeakPolarHBondContact O-CZ2 3.34Å; P404-W634 HydrophobicContact CG-CH2 4.22Å; P404-W634 HydrophobicContact CG-CZ2 4.37Å; P404-W634 HydrophobicContact CG-CZ3 4.45Å; K630-W634 HydrophobicContact CB-CD2 4.25Å; K630-W634 HydrophobicContact CB-CH2 4.24Å; K630-W634 HydrophobicContact CB-CZ2 3.83Å; K630-W634 HydrophobicContact CD-CH2 4.37Å; K630-W634 HydrophobicContact CD-CZ2 3.86Å; K630-W634 HydrophobicContact CG-CZ2 4.48Å; K630-W634 WeakPolarHBondContact O-CB 3.3Å; K630-W634 PolarHBondContact O-N 3.43Å; W634-I637 PolarHBondContact O-N 2.96Å; W634-D638 WeakPolarHBondContact O-CB 3.27Å; W634-D638 PolarHBondContact O-N 3.38Å |
| 635 | N | 66 | Low | 61.1 | Low | 96 Ų | 96 | 71.5 Ų | 71.5 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 174.7 | -71.8 | -16.6 | 0 | 0 | 0 | 111.9 | S631 Y632 I633 T639 | S631-N635 WeakPolarHBondContact O-CB 3.45Å; S631-N635 PolarHBondContact O-N 2.8Å; S631-N635 PolarHBondContact O-ND2 3Å; S631-N635 PolarHBondContact O-OD1 2.89Å; Y632-N635 PolarHBondContact O-N 2.78Å; I633-N635 PolarHBondContact O-N 3.31Å; N635-T639 VanDerWaalsContact O-CB 3.3Å; N635-T639 WeakPolarHBondContact O-CB 3.46Å; N635-T639 PolarHBondContact O-N 2.81Å; N635-T639 PolarHBondContact O-OG1 3.25Å |
| 636 | M | 66.4 | Low | 62.7 | Low | 69 Ų | 69 | 70.7 Ų | 70.7 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 173.7 | -179.2 | -175.5 | 66.5 | 0 | 0 | 111.1 | Y632 I633 T639 I640 | Y632-M636 WeakPolarHBondContact O-CB 3.22Å; Y632-M636 PolarHBondContact O-N 3.1Å; I633-M636 PolarHBondContact O-N 3.41Å; M636-T639 PolarHBondContact O-N 3.48Å; M636-I640 HydrophobicContact CG-CD1 4.38Å; M636-I640 WeakPolarHBondContact O-CG1 3.38Å; M636-I640 PolarHBondContact O-N 2.88Å |
| 637 | I | 69.3 | Low | 64 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 176.1 | -71.8 | 173.1 | 0 | 0 | 0 | 110.4 | V349 V353 T401 I633 W634 I640 R641 | V349-I637 HydrophobicContact CG1-CD1 4.4Å; V353-I637 HydrophobicContact CG1-CG2 3.91Å; V353-I637 HydrophobicContact CG2-CG1 4.29Å; V353-I637 HydrophobicContact CG2-CG2 3.94Å; T401-I637 HydrophobicContact CG2-CD1 3.94Å; I633-I637 HydrophobicContact CG2-CD1 3.8Å; I633-I637 HydrophobicContact CG2-CG1 4.47Å; I633-I637 WeakPolarHBondContact O-CB 3.44Å; I633-I637 VanDerWaalsContact O-CG1 3.28Å; I633-I637 WeakPolarHBondContact O-CG1 3.42Å; I633-I637 PolarHBondContact O-N 3.29Å; W634-I637 PolarHBondContact O-N 2.96Å; I637-I640 CarbonylContact O-C 3.47Å; I637-I640 WeakPolarHBondContact O-CA 3.02Å; I637-I640 WeakPolarHBondContact O-CB 3.25Å; I637-I640 PolarHBondContact O-N 3.25Å; I637-R641 VanDerWaalsContact CG2-NH2 3.32Å; I637-R641 WeakPolarHBondContact O-CG 2.94Å; I637-R641 PolarHBondContact O-N 3.5Å |
| 638 | D | 70.1 | Confident | 65 | Low | 52 Ų | 52 | 59.2 Ų | 59.2 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69 | -36.6 | 178.8 | -155.8 | 67.1 | 0 | 0 | 0 | 111.6 | W634 I640 R641 Q642 R645 | W634-D638 WeakPolarHBondContact O-CB 3.27Å; W634-D638 PolarHBondContact O-N 3.38Å; D638-I640 PolarHBondContact O-N 3.48Å; D638-I640 VanDerWaalsContact O-N 3.12Å; D638-R641 PolarHBondContact O-N 2.86Å; D638-Q642 VanDerWaalsContact O-CG 3.27Å; D638-Q642 WeakPolarHBondContact O-CG 3.4Å; D638-Q642 PolarHBondContact O-N 2.9Å; D638-Q642 WeakPolarHBondContact OD2-CG 3.42Å; D638-Q642 PolarHBondContact OD2-NE2 3.21Å; D638-R645 IonicContact OD1-CZ 2.96Å; D638-R645 IonicContact OD1-NH1 2.76Å; D638-R645 PolarHBondContact OD1-NH1 2.81Å; D638-R645 IonicContact OD1-NH2 3.91Å; D638-R645 IonicContact OD2-NH1 2.78Å |
| 639 | T | 65 | Low | 65.8 | Low | 101 Ų | 101 | 59.2 Ų | 59.2 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.6 | -26.3 | 170.1 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | N635 M636 P643 | N635-T639 VanDerWaalsContact O-CB 3.3Å; N635-T639 WeakPolarHBondContact O-CB 3.46Å; N635-T639 PolarHBondContact O-N 2.81Å; N635-T639 PolarHBondContact O-OG1 3.25Å; M636-T639 PolarHBondContact O-N 3.48Å; T639-P643 WeakPolarHBondContact O-CD 3.34Å |
| 640 | I | 69.9 | Low | 66.3 | Low | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.5 | -37.3 | 173.8 | -68 | 164.7 | 0 | 0 | 0 | 111.6 | K350 V353 V354 M636 I637 D638 P643 | K350-I640 HydrophobicContact CB-CD1 4.29Å; K350-I640 HydrophobicContact CD-CD1 4.25Å; K350-I640 HydrophobicContact CG-CD1 3.87Å; V353-I640 HydrophobicContact CG1-CG2 4.02Å; V354-I640 HydrophobicContact CG2-CG2 3.22Å; M636-I640 HydrophobicContact CG-CD1 4.38Å; M636-I640 WeakPolarHBondContact O-CG1 3.38Å; M636-I640 PolarHBondContact O-N 2.88Å; I637-I640 CarbonylContact O-C 3.47Å; I637-I640 WeakPolarHBondContact O-CA 3.02Å; I637-I640 WeakPolarHBondContact O-CB 3.25Å; I637-I640 PolarHBondContact O-N 3.25Å; D638-I640 PolarHBondContact O-N 3.48Å; D638-I640 VanDerWaalsContact O-N 3.12Å; I640-P643 WeakPolarHBondContact O-CD 3.21Å |
| 641 | R | 72.5 | Confident | 66 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.9 | -38.8 | 177.8 | -66.4 | -177.6 | -175.1 | 129.5 | 0.2 | 113.8 | V353 E357 D403 Y406 I637 D638 V644 R645 | V353-R641 HydrophobicContact CG1-CG 3.71Å; E357-R641 HydrophobicContact CB-CG 4.33Å; E357-R641 HydrophobicContact CG-CB 4.13Å; E357-R641 HydrophobicContact CG-CG 4.02Å; E357-R641 WeakPolarHBondContact OE2-CD 3.35Å; E357-R641 IonicContact OE2-NE 2.71Å; D403-R641 IonicContact OD2-CZ 2.66Å; D403-R641 IonicContact OD2-NH1 2.7Å; D403-R641 PolarHBondContact OD2-NH1 3.31Å; D403-R641 IonicContact OD2-NH2 3.69Å; D403-R641 PolarHBondContact OD2-NH2 3.05Å; Y406-R641 PolarHBondContact OH-NH2 3.28Å; I637-R641 VanDerWaalsContact CG2-NH2 3.32Å; I637-R641 WeakPolarHBondContact O-CG 2.94Å; I637-R641 PolarHBondContact O-N 3.5Å; D638-R641 PolarHBondContact O-N 2.86Å; R641-V644 WeakPolarHBondContact O-CA 2.27Å; R641-V644 WeakPolarHBondContact O-CB 3.27Å; R641-V644 PolarHBondContact O-N 3.26Å; R641-R645 WeakPolarHBondContact O-CG 3.38Å; R641-R645 PolarHBondContact O-N 3.07Å |
| 642 | Q | 69.4 | Low | 65.7 | Low | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | -174.7 | -67.3 | -64.2 | -11.6 | 0 | 0 | 113.6 | D638 R645 Q646 | D638-Q642 VanDerWaalsContact O-CG 3.27Å; D638-Q642 WeakPolarHBondContact O-CG 3.4Å; D638-Q642 PolarHBondContact O-N 2.9Å; D638-Q642 WeakPolarHBondContact OD2-CG 3.42Å; D638-Q642 PolarHBondContact OD2-NE2 3.21Å; Q642-R645 PolarHBondContact O-N 2.91Å; Q642-Q646 WeakPolarHBondContact O-CB 3.48Å; Q642-Q646 PolarHBondContact O-N 3.25Å |
| 643 | P | 65.2 | Low | 65.3 | Low | 70 Ų | 70 | 61 Ų | 61 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 167.9 | -27.6 | 35.6 | 0 | 0 | 0 | 113.5 | T639 I640 R645 Q646 I647 | T639-P643 WeakPolarHBondContact O-CD 3.34Å; I640-P643 WeakPolarHBondContact O-CD 3.21Å; P643-R645 PolarHBondContact O-N 2.82Å; P643-Q646 PolarHBondContact O-N 2.97Å; P643-I647 VanDerWaalsContact O-CG1 3.27Å; P643-I647 WeakPolarHBondContact O-CG1 3.12Å; P643-I647 PolarHBondContact O-N 3.31Å |
| 644 | V | 66.2 | Low | 64.3 | Low | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | F316 V354 E357 L361 R641 I647 A648 | F316-V644 HydrophobicContact CZ-CG1 4.46Å; F316-V644 HydrophobicContact CZ-CG2 4.46Å; V354-V644 HydrophobicContact CG1-CG2 4Å; E357-V644 HydrophobicContact CB-CG1 4.4Å; E357-V644 HydrophobicContact CG-CB 4.19Å; E357-V644 HydrophobicContact CG-CG1 4.11Å; L361-V644 HydrophobicContact CD1-CG1 3.97Å; R641-V644 WeakPolarHBondContact O-CA 2.27Å; R641-V644 WeakPolarHBondContact O-CB 3.27Å; R641-V644 PolarHBondContact O-N 3.26Å; V644-I647 PolarHBondContact O-N 2.95Å; V644-A648 WeakPolarHBondContact O-CB 3.46Å; V644-A648 PolarHBondContact O-N 2.89Å |
| 645 | R | 75.6 | Confident | 62.5 | Low | 41 Ų | 41 | 57.6 Ų | 57.6 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 173.3 | -69.2 | 174 | -178.7 | 152.3 | 6.7 | 112.4 | E357 L361 Y405 D638 R641 Q642 P643 A648 I649 | E357-R645 WeakPolarHBondContact OE1-CG 3.37Å; E357-R645 IonicContact OE1-CZ 2.72Å; E357-R645 VanDerWaalsContact OE1-CZ 3.29Å; E357-R645 IonicContact OE1-NE 2.63Å; E357-R645 PolarHBondContact OE1-NE 3.44Å; E357-R645 IonicContact OE1-NH2 3.61Å; E357-R645 PolarHBondContact OE1-NH2 3.29Å; E357-R645 VanDerWaalsContact OE1-NH2 3.1Å; E357-R645 IonicContact OE2-NH2 2.73Å; L361-R645 HydrophobicContact CD1-CG 4.48Å; Y405-R645 VanDerWaalsContact CZ-NH2 3.26Å; Y405-R645 PolarHBondContact OH-NH2 3.35Å; D638-R645 IonicContact OD1-CZ 2.96Å; D638-R645 IonicContact OD1-NH1 2.76Å; D638-R645 PolarHBondContact OD1-NH1 2.81Å; D638-R645 IonicContact OD1-NH2 3.91Å; D638-R645 IonicContact OD2-NH1 2.78Å; R641-R645 WeakPolarHBondContact O-CG 3.38Å; R641-R645 PolarHBondContact O-N 3.07Å; Q642-R645 PolarHBondContact O-N 2.91Å; P643-R645 PolarHBondContact O-N 2.82Å; R645-A648 PolarHBondContact O-N 2.98Å; R645-I649 WeakPolarHBondContact O-CB 3.44Å; R645-I649 WeakPolarHBondContact O-CD1 3.47Å; R645-I649 VanDerWaalsContact O-CG1 3.23Å; R645-I649 WeakPolarHBondContact O-CG1 3.48Å; R645-I649 PolarHBondContact O-N 3.11Å |
| 646 | Q | 68.7 | Low | 61.2 | Low | 92 Ų | 92 | 58.5 Ų | 58.5 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 179.4 | -172.8 | 58.1 | 75.3 | 0 | 0 | 111.6 | Q642 P643 I649 N650 | Q642-Q646 WeakPolarHBondContact O-CB 3.48Å; Q642-Q646 PolarHBondContact O-N 3.25Å; P643-Q646 PolarHBondContact O-N 2.97Å; Q646-I649 PolarHBondContact O-N 3.5Å; Q646-N650 PolarHBondContact NE2-OD1 2.81Å; Q646-N650 WeakPolarHBondContact O-CB 3.42Å; Q646-N650 PolarHBondContact O-N 3.26Å; Q646-N650 PolarHBondContact O-ND2 2.93Å; Q646-N650 PolarHBondContact O-OD1 2.89Å |
| 647 | I | 65 | Low | 59.5 | Low | 51 Ų | 51 | 61.8 Ų | 61.8 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 171.8 | -64.2 | 161.5 | 0 | 0 | 0 | 109.9 | F314 P643 V644 I649 N650 L651 | F314-I647 HydrophobicContact CE1-CG2 3.42Å; F314-I647 VanDerWaalsContact CE1-CG2 3.42Å; F314-I647 HydrophobicContact CZ-CG2 3.53Å; P643-I647 VanDerWaalsContact O-CG1 3.27Å; P643-I647 WeakPolarHBondContact O-CG1 3.12Å; P643-I647 PolarHBondContact O-N 3.31Å; V644-I647 PolarHBondContact O-N 2.95Å; I647-I649 PolarHBondContact O-N 3.33Å; I647-N650 CarbonylContact O-C 3.56Å; I647-N650 PolarHBondContact O-N 3.47Å; I647-N650 VanDerWaalsContact O-N 3.12Å; I647-L651 HydrophobicContact CG2-CD1 3.95Å; I647-L651 HydrophobicContact CG2-CG 4.38Å; I647-L651 WeakPolarHBondContact O-CB 3.39Å; I647-L651 WeakPolarHBondContact O-CG 3.24Å; I647-L651 PolarHBondContact O-N 3.31Å |
| 648 | A | 61.9 | Low | 57.6 | Low | 12 Ų | 12 | 66.5 Ų | 66.5 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L361 F377 V644 R645 D652 | L361-A648 HydrophobicContact CB-CB 4.37Å; L361-A648 HydrophobicContact CD1-CB 3.73Å; L361-A648 HydrophobicContact CD2-CB 4.19Å; L361-A648 HydrophobicContact CG-CB 4.32Å; F377-A648 HydrophobicContact CE2-CB 4.01Å; V644-A648 WeakPolarHBondContact O-CB 3.46Å; V644-A648 PolarHBondContact O-N 2.89Å; R645-A648 PolarHBondContact O-N 2.98Å; A648-D652 WeakPolarHBondContact O-CB 3.29Å; A648-D652 PolarHBondContact O-N 2.96Å |
| 649 | I | 65.7 | Low | 55.6 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.7 | -33.9 | 171.5 | -71.5 | 162.6 | 0 | 0 | 0 | 111.1 | R645 Q646 I647 R653 | R645-I649 WeakPolarHBondContact O-CB 3.44Å; R645-I649 WeakPolarHBondContact O-CD1 3.47Å; R645-I649 VanDerWaalsContact O-CG1 3.23Å; R645-I649 WeakPolarHBondContact O-CG1 3.48Å; R645-I649 PolarHBondContact O-N 3.11Å; Q646-I649 PolarHBondContact O-N 3.5Å; I647-I649 PolarHBondContact O-N 3.33Å; I649-R653 WeakPolarHBondContact O-CB 3.45Å; I649-R653 WeakPolarHBondContact O-CD 3.21Å; I649-R653 WeakPolarHBondContact O-CG 3.5Å; I649-R653 PolarHBondContact O-N 2.78Å |
| 650 | N | 60.9 | Low | 53.7 | Low | 81 Ų | 81 | 65.1 Ų | 65.1 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.4 | -38.3 | 175.9 | -69.4 | -7 | 0 | 0 | 0 | 111.5 | Q646 I647 S654 | Q646-N650 PolarHBondContact NE2-OD1 2.81Å; Q646-N650 WeakPolarHBondContact O-CB 3.42Å; Q646-N650 PolarHBondContact O-N 3.26Å; Q646-N650 PolarHBondContact O-ND2 2.93Å; Q646-N650 PolarHBondContact O-OD1 2.89Å; I647-N650 CarbonylContact O-C 3.56Å; I647-N650 PolarHBondContact O-N 3.47Å; I647-N650 VanDerWaalsContact O-N 3.12Å; N650-S654 WeakPolarHBondContact O-CB 3.33Å; N650-S654 PolarHBondContact O-N 3.29Å; N650-S654 PolarHBondContact O-OG 2.84Å |
| 651 | L | 55.6 | Low | 51.7 | Low | 32 Ų | 32 | 63.6 Ų | 63.6 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -47.2 | 171.8 | -76 | 168.1 | 0 | 0 | 0 | 111 | F314 F377 I647 R653 S654 I655 | F314-L651 HydrophobicContact CE1-CD1 4.15Å; F314-L651 HydrophobicContact CZ-CD1 4.09Å; F377-L651 HydrophobicContact CD2-CD1 3.89Å; F377-L651 HydrophobicContact CE1-CD1 4.01Å; F377-L651 HydrophobicContact CE2-CD1 3.39Å; F377-L651 HydrophobicContact CG-CD1 4.42Å; F377-L651 HydrophobicContact CZ-CD1 3.43Å; F377-L651 VanDerWaalsContact CZ-CD1 3.43Å; I647-L651 HydrophobicContact CG2-CD1 3.95Å; I647-L651 HydrophobicContact CG2-CG 4.38Å; I647-L651 WeakPolarHBondContact O-CB 3.39Å; I647-L651 WeakPolarHBondContact O-CG 3.24Å; I647-L651 PolarHBondContact O-N 3.31Å; L651-R653 VanDerWaalsContact C-N 3.3Å; L651-R653 PolarHBondContact O-N 3.08Å; L651-S654 WeakPolarHBondContact CA-OG 3.47Å; L651-S654 CarbonylContact O-C 3.39Å; L651-S654 PolarHBondContact O-N 3.02Å; L651-S654 VanDerWaalsContact O-N 3.12Å; L651-S654 PolarHBondContact O-OG 2.75Å; L651-I655 HydrophobicContact CB-CD1 4.46Å; L651-I655 WeakPolarHBondContact O-CB 3.44Å; L651-I655 WeakPolarHBondContact O-CG1 3.4Å; L651-I655 PolarHBondContact O-N 2.87Å |
| 652 | D | 52.7 | Low | 49.5 | Very low | 77 Ų | 77 | 66.7 Ų | 66.7 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | 176.3 | -173.2 | 48 | 0 | 0 | 0 | 111 | A648 I655 N656 | A648-D652 WeakPolarHBondContact O-CB 3.29Å; A648-D652 PolarHBondContact O-N 2.96Å; D652-I655 CarbonylContact O-C 3.16Å; D652-I655 PolarHBondContact O-N 3.06Å; D652-N656 PolarHBondContact O-N 3Å; D652-N656 PolarHBondContact O-ND2 3.22Å; D652-N656 PolarHBondContact OD1-ND2 2.87Å; D652-N656 VanDerWaalsContact OD1-ND2 3.11Å |
| 653 | R | 49.9 | Very low | 47.5 | Very low | 158 Ų | 158 | 62.8 Ų | 62.8 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63 | -52 | 167.9 | -77.1 | 169.8 | -177.5 | 171.8 | 1.7 | 111.9 | I649 L651 I655 N656 D657 | I649-R653 WeakPolarHBondContact O-CB 3.45Å; I649-R653 WeakPolarHBondContact O-CD 3.21Å; I649-R653 WeakPolarHBondContact O-CG 3.5Å; I649-R653 PolarHBondContact O-N 2.78Å; L651-R653 VanDerWaalsContact C-N 3.3Å; L651-R653 PolarHBondContact O-N 3.08Å; R653-I655 PolarHBondContact O-N 2.93Å; R653-N656 PolarHBondContact O-N 2.97Å; R653-D657 WeakPolarHBondContact O-CB 3.37Å; R653-D657 PolarHBondContact O-N 2.7Å |
| 654 | S | 40 | Very low | 45.8 | Very low | 46 Ų | 46 | 61.3 Ų | 61.3 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -9.3 | 177.3 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | N650 L651 F658 | N650-S654 WeakPolarHBondContact O-CB 3.33Å; N650-S654 PolarHBondContact O-N 3.29Å; N650-S654 PolarHBondContact O-OG 2.84Å; L651-S654 WeakPolarHBondContact CA-OG 3.47Å; L651-S654 CarbonylContact O-C 3.39Å; L651-S654 PolarHBondContact O-N 3.02Å; L651-S654 VanDerWaalsContact O-N 3.12Å; L651-S654 PolarHBondContact O-OG 2.75Å; S654-F658 WeakPolarHBondContact O-CA 3.32Å; S654-F658 WeakPolarHBondContact O-CB 3.41Å; S654-F658 WeakPolarHBondContact O-CD2 3.15Å; S654-F658 WeakPolarHBondContact O-CG 3.42Å; S654-F658 PolarHBondContact O-N 2.79Å |
| 655 | I | 37.5 | Very low | 44.1 | Very low | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -111.3 | -10.5 | -179.8 | -70.4 | 171.4 | 0 | 0 | 0 | 112.6 | L651 D652 R653 F658 T659 | L651-I655 HydrophobicContact CB-CD1 4.46Å; L651-I655 WeakPolarHBondContact O-CB 3.44Å; L651-I655 WeakPolarHBondContact O-CG1 3.4Å; L651-I655 PolarHBondContact O-N 2.87Å; D652-I655 CarbonylContact O-C 3.16Å; D652-I655 PolarHBondContact O-N 3.06Å; R653-I655 PolarHBondContact O-N 2.93Å; I655-F658 VanDerWaalsContact C-C 3.46Å; I655-F658 CarbonylContact C-O 3.59Å; I655-F658 WeakPolarHBondContact CA-O 3.12Å; I655-F658 CarbonylContact O-C 3.51Å; I655-T659 PolarHBondContact O-N 3.29Å |
| 656 | N | 37.5 | Very low | 42.1 | Very low | 115 Ų | 115 | 65.8 Ų | 65.8 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -88.1 | -22.1 | 156.4 | -71.9 | -87.2 | 0 | 0 | 0 | 110.8 | D652 R653 | D652-N656 PolarHBondContact O-N 3Å; D652-N656 PolarHBondContact O-ND2 3.22Å; D652-N656 PolarHBondContact OD1-ND2 2.87Å; D652-N656 VanDerWaalsContact OD1-ND2 3.11Å; R653-N656 PolarHBondContact O-N 2.97Å |
| 657 | D | 31.9 | Very low | 40.5 | Very low | 138 Ų | 138 | 67.5 Ų | 67.5 | 74% | 0.738 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -80.7 | -28 | 161.3 | -66.9 | -34.7 | 0 | 0 | 0 | 112 | R653 | R653-D657 WeakPolarHBondContact O-CB 3.37Å; R653-D657 PolarHBondContact O-N 2.7Å |
| 658 | F | 28.7 | Very low | 39 | Very low | 99 Ų | 99 | 67 Ų | 67 | 43% | 0.434 | 35% | 0.351 | S | S | . | . | trans | -124.4 | 79.1 | 170.4 | -67.7 | -127.5 | 0 | 0 | 0 | 109.8 | S654 I655 V660 | S654-F658 WeakPolarHBondContact O-CA 3.32Å; S654-F658 WeakPolarHBondContact O-CB 3.41Å; S654-F658 WeakPolarHBondContact O-CD2 3.15Å; S654-F658 WeakPolarHBondContact O-CG 3.42Å; S654-F658 PolarHBondContact O-N 2.79Å; I655-F658 VanDerWaalsContact C-C 3.46Å; I655-F658 CarbonylContact C-O 3.59Å; I655-F658 WeakPolarHBondContact CA-O 3.12Å; I655-F658 CarbonylContact O-C 3.51Å; F658-V660 HydrophobicContact CB-CB 3.95Å; F658-V660 WeakPolarHBondContact CB-O 3.31Å; F658-V660 HydrophobicContact CD1-CB 4Å; F658-V660 HydrophobicContact CD1-CG1 4.36Å; F658-V660 WeakPolarHBondContact CD1-O 3.5Å; F658-V660 HydrophobicContact CG-CB 4.38Å; F658-V660 PolarHBondContact O-N 2.89Å | ||
| 659 | T | 27.7 | Very low | 37.5 | Very low | 70 Ų | 70 | 74.4 Ų | 74.4 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | trans | -68.5 | 67.8 | 144.5 | 42.3 | 0 | 0 | 0 | 0 | 107.2 | I655 T1241 M1242 T1243 | I655-T659 PolarHBondContact O-N 3.29Å; T659-T1241 CarbonylContact C-O 3.48Å; T659-T1241 CarbonylContact O-C 3.22Å; T659-M1242 CarbonylContact O-C 3.5Å; T659-T1243 WeakPolarHBondContact CB-OG1 3.1Å; T659-T1243 PolarHBondContact OG1-OG1 2.78Å | ||
| 660 | V | 26.3 | Very low | 35.9 | Very low | 54 Ų | 54 | 73.6 Ų | 73.6 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | trans | -176.2 | 60.7 | -169.3 | -169.2 | 0 | 0 | 0 | 0 | 108.2 | F658 S1240 T1241 | F658-V660 HydrophobicContact CB-CB 3.95Å; F658-V660 WeakPolarHBondContact CB-O 3.31Å; F658-V660 HydrophobicContact CD1-CB 4Å; F658-V660 HydrophobicContact CD1-CG1 4.36Å; F658-V660 WeakPolarHBondContact CD1-O 3.5Å; F658-V660 HydrophobicContact CG-CB 4.38Å; F658-V660 PolarHBondContact O-N 2.89Å; V660-S1240 CarbonylContact C-O 3.53Å; V660-S1240 WeakPolarHBondContact CA-O 3.39Å; V660-S1240 VanDerWaalsContact CG1-O 3.3Å; V660-S1240 WeakPolarHBondContact CG1-O 3.42Å; V660-T1241 WeakPolarHBondContact CA-O 3.42Å; V660-T1241 PolarHBondContact N-O 3.07Å | ||
| 661 | G | 26.3 | Very low | 34.7 | Very low | 6 Ų | 6 | 76.9 Ų | 76.9 | 6% | 0.062 | 39% | 0.387 | C | S | . | . | 93.7 | 178.3 | 51.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N378 T1239 S1240 T1241 | N378-G661 WeakPolarHBondContact ND2-CA 3.3Å; G661-T1239 CarbonylContact O-C 3.57Å; G661-T1239 WeakPolarHBondContact O-CA 2.97Å; G661-T1239 WeakPolarHBondContact O-CB 3.36Å; G661-T1239 WeakPolarHBondContact O-CG2 3.4Å; G661-S1240 CarbonylContact C-O 3.58Å; G661-S1240 WeakPolarHBondContact CA-O 3.39Å; G661-S1240 PolarHBondContact N-O 2.72Å; G661-S1240 PolarHBondContact O-N 2.96Å; G661-S1240 VanDerWaalsContact O-O 3.06Å; G661-T1241 WeakPolarHBondContact CA-OG1 3.46Å | |||
| 662 | V | 27.9 | Very low | 33.7 | Very low | 68 Ų | 68 | 80.4 Ų | 80.4 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | trans | 39.7 | 131.4 | -177.8 | 157.3 | 0 | 0 | 0 | 0 | 119.9 | T1239 S1240 T1241 | V662-T1239 WeakPolarHBondContact O-CA 3.35Å; V662-S1240 VanDerWaalsContact CB-OG 3.3Å; V662-S1240 WeakPolarHBondContact CB-OG 3.29Å; V662-T1241 HydrophobicContact CB-CG2 3.99Å; V662-T1241 HydrophobicContact CG2-CG2 3.38Å | ||
| 663 | P | 27.4 | Very low | 32.9 | Very low | 10 Ų | 10 | 81.7 Ų | 81.7 | 7% | 0.065 | 42% | 0.424 | C | S | . | . | trans | -142.4 | 154.7 | 162.3 | 14.3 | 14.1 | 0 | 0 | 0 | 115.1 | T374 D376 N378 H380 | T374-P663 HydrophobicContact CG2-CB 3.53Å; T374-P663 HydrophobicContact CG2-CG 3.32Å; T374-P663 WeakPolarHBondContact OG1-CB 3.39Å; T374-P663 WeakPolarHBondContact OG1-CG 3.49Å; D376-P663 VanDerWaalsContact CG-CG 3.46Å; D376-P663 WeakPolarHBondContact OD1-CG 3.46Å; D376-P663 VanDerWaalsContact OD2-CG 3.26Å; D376-P663 WeakPolarHBondContact OD2-CG 3.39Å; N378-P663 HydrophobicContact CB-CG 3.61Å; H380-P663 PolarHBondContact ND1-O 2.82Å | ||
| 664 | P | 28.3 | Very low | 32.3 | Very low | 40 Ų | 40 | 79 Ų | 79 | 26% | 0.26 | 43% | 0.43 | S | S | . | . | trans | -98.3 | 177 | -167.2 | 39.2 | -38.4 | 0 | 0 | 0 | 114.6 | T332 F333 | T332-P664 CarbonylContact C-O 3.6Å; T332-P664 WeakPolarHBondContact CB-O 3.45Å; T332-P664 VanDerWaalsContact OG1-C 3.26Å; T332-P664 PolarHBondContact OG1-O 2.76Å; F333-P664 PolarHBondContact N-O 3.15Å | ||
| 665 | P | 30.9 | Very low | 32.4 | Very low | 58 Ų | 58 | 80.5 Ų | 80.5 | 38% | 0.377 | 44% | 0.44 | S | S | . | . | trans | -96.9 | 166.3 | 154.6 | 31 | -21.7 | 0 | 0 | 0 | 114.9 | R331 T332 F333 | R331-P665 HydrophobicContact CB-CB 4.47Å; T332-P665 VanDerWaalsContact N-CA 3.3Å; T332-P665 WeakPolarHBondContact OG1-CA 3.46Å; F333-P665 HydrophobicContact CD1-CB 3.75Å; F333-P665 HydrophobicContact CD1-CG 4.08Å; F333-P665 HydrophobicContact CE1-CB 4.07Å; F333-P665 HydrophobicContact CE1-CG 4.25Å | ||
| 666 | H | 33.4 | Very low | 33.1 | Very low | 84 Ų | 84 | 86 Ų | 86 | 39% | 0.389 | 48% | 0.477 | S | S | . | . | trans | -132.8 | 112.6 | 164.5 | -79.6 | -26.5 | 0 | 0 | 0 | 111.3 | R329 A330 R331 T332 | R329-H666 CarbonylContact C-O 3.45Å; R329-H666 HydrophobicContact CB-CB 3.6Å; R329-H666 VanDerWaalsContact CB-O 3.27Å; R329-H666 WeakPolarHBondContact CB-O 3.37Å; R329-H666 HydrophobicContact CG-CB 4.37Å; A330-H666 CarbonylContact C-O 3.5Å; A330-H666 WeakPolarHBondContact CA-O 3.31Å; A330-H666 PolarHBondContact N-O 3.05Å; R331-H666 PolarHBondContact N-O 3.43Å; T332-H666 HydrophobicContact CG2-CB 3.86Å; T332-H666 PolarHBondContact OG1-N 2.67Å | ||
| 667 | H | 35 | Very low | 34.1 | Very low | 128 Ų | 128 | 82.2 Ų | 82.2 | 59% | 0.593 | 46% | 0.456 | S | S | * | . | trans | -60.5 | 170.8 | 169.9 | -66.5 | -69.1 | 0 | 0 | 0 | 115.1 | E265 H322 R329 A330 | E265-H667 IonicContact OE1-ND1 3.8Å; H322-H667 PolarHBondContact CD2-O 2.84Å; H322-H667 WeakPolarHBondContact CE1-CB 3.34Å; H322-H667 VanDerWaalsContact CG-C 3.44Å; H322-H667 WeakPolarHBondContact NE2-CB 3.39Å; H322-H667 PolarHBondContact NE2-O 3.46Å; R329-H667 CarbonylContact O-C 3Å; A330-H667 WeakPolarHBondContact O-CA 3.43Å | ||
| 668 | K | 33.8 | Very low | 36.1 | Very low | 40 Ų | 40 | 79.8 Ų | 79.8 | 17% | 0.174 | 45% | 0.448 | C | S | . | . | -162.5 | 127.6 | 126 | -81 | 85.3 | -157.6 | 139.8 | 0 | 126.3 | H322 H324 R329 D747 | H322-K668 HydrophobicContact CB-CB 3.78Å; H322-K668 VanDerWaalsContact CB-O 3.25Å; H322-K668 WeakPolarHBondContact CB-O 3.39Å; H322-K668 WeakPolarHBondContact CD2-CA 3Å; H322-K668 WeakPolarHBondContact CD2-CB 3.39Å; H322-K668 WeakPolarHBondContact CD2-CD 3.37Å; H322-K668 WeakPolarHBondContact CD2-CG 3.23Å; H322-K668 PolarHBondContact CD2-N 2.87Å; H322-K668 WeakPolarHBondContact CE1-CA 3.04Å; H322-K668 PolarHBondContact CE1-N 3.33Å; H322-K668 WeakPolarHBondContact ND1-CA 3.13Å; H322-K668 PolarHBondContact ND1-N 2.88Å; H322-K668 PolarHBondContact ND1-O 2.96Å; H322-K668 WeakPolarHBondContact NE2-CA 2.96Å; H322-K668 WeakPolarHBondContact NE2-CB 3.32Å; H322-K668 WeakPolarHBondContact NE2-CD 3.39Å; H322-K668 WeakPolarHBondContact NE2-CG 3.37Å; H322-K668 PolarHBondContact NE2-N 2.77Å; H324-K668 PolarHBondContact CE1-O 2.88Å; H324-K668 PolarHBondContact NE2-O 2.23Å; R329-K668 PolarHBondContact O-N 2.99Å; K668-D747 WeakPolarHBondContact CE-OD2 3.07Å; K668-D747 IonicContact NZ-OD2 2.84Å; K668-D747 PolarHBondContact NZ-OD2 3.44Å | |||
| 669 | Y | 30.9 | Very low | 38.8 | Very low | 168 Ų | 168 | 75.6 Ų | 75.6 | 66% | 0.659 | 43% | 0.43 | S | S | * | . | trans | -85 | 172.2 | -173.4 | -74.6 | -103.6 | 0 | 0 | 0 | 115.4 | H324 | H324-Y669 PolarHBondContact NE2-O 3.27Š| ||
| 670 | T | 32.1 | Very low | 41.5 | Very low | 56 Ų | 56 | 77.6 Ų | 77.6 | 34% | 0.344 | 43% | 0.43 | S | S | . | . | trans | -112.2 | 147.5 | 177.7 | 49.6 | 0 | 0 | 0 | 0 | 116.7 | Q264 | Q264-T670 PolarHBondContact NE2-OG1 3.33Å; Q264-T670 VanDerWaalsContact OE1-CG2 3.28Å; Q264-T670 PolarHBondContact OE1-OG1 3.3Å | ||
| 671 | K | 35.6 | Very low | 44.2 | Very low | 150 Ų | 150 | 75.5 Ų | 75.5 | 65% | 0.652 | 42% | 0.419 | S | S | * | . | trans | 60.1 | 165.2 | 135.2 | -65 | 176.8 | 177.7 | -179.8 | 0 | 121.7 | ||||
| 672 | T | 34 | Very low | 46.7 | Very low | 106 Ų | 106 | 80 Ų | 80 | 65% | 0.65 | 44% | 0.44 | S | S | * | . | trans | -151.8 | -174 | 173.4 | 58.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 673 | S | 36 | Very low | 49.4 | Very low | 103 Ų | 103 | 80 Ų | 80 | 72% | 0.72 | 44% | 0.438 | S | S | * | . | cis | -154.3 | -162.7 | 5.1 | 67.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 674 | S | 36.5 | Very low | 52.1 | Low | 103 Ų | 103 | 81.1 Ų | 81.1 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | cis | -171.5 | 150 | -1.6 | 32.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 675 | S | 42.4 | Very low | 54.5 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 53% | 0.531 | 45% | 0.45 | S | S | . | . | trans | -131.3 | 160.9 | 156 | -75.7 | 0 | 0 | 0 | 0 | 108.3 | I677 | S675-I677 WeakPolarHBondContact O-CG1 3.45Å; S675-I677 PolarHBondContact O-N 2.77Å | ||
| 676 | P | 52.6 | Low | 56.6 | Low | 134 Ų | 134 | 84 Ų | 84 | 87% | 0.87 | 45% | 0.453 | S | S | * | . | trans | -72.4 | 115.3 | -179.1 | 28.7 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 677 | I | 58.3 | Low | 58.7 | Low | 35 Ų | 35 | 86 Ų | 86 | 18% | 0.179 | 47% | 0.466 | C | S | . | . | trans | -97.8 | 133.1 | -176.3 | -37.3 | 173.1 | 0 | 0 | 0 | 108.8 | S675 L679 R680 A727 I730 E734 | S675-I677 WeakPolarHBondContact O-CG1 3.45Å; S675-I677 PolarHBondContact O-N 2.77Å; I677-L679 WeakPolarHBondContact CG2-O 3.43Å; I677-L679 PolarHBondContact O-N 3.36Å; I677-R680 HydrophobicContact CB-CG 4.29Å; I677-R680 HydrophobicContact CD1-CG 4.23Å; I677-A727 HydrophobicContact CG2-CB 4.45Å; I677-I730 HydrophobicContact CD1-CG2 3.47Å; I677-I730 VanDerWaalsContact CD1-CG2 3.47Å; I677-I730 HydrophobicContact CG1-CG2 3.85Å; I677-E734 VanDerWaalsContact CD1-OE2 3.29Å; I677-E734 WeakPolarHBondContact CD1-OE2 3.38Å | ||
| 678 | P | 73.4 | Confident | 60.9 | Low | 87 Ų | 87 | 82 Ų | 82 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -60.7 | -29.8 | -178.5 | -24.1 | 35 | 0 | 0 | 0 | 114.2 | I694 M698 A727 | P678-I694 HydrophobicContact CB-CG2 4.21Å; P678-M698 HydrophobicContact CB-SD 4.36Å; P678-M698 HydrophobicContact CG-SD 4.14Å; P678-A727 VanDerWaalsContact CD-CB 3.45Å; P678-A727 HydrophobicContact CG-CB 3.97Å |
| 679 | L | 85.6 | Confident | 63.1 | Low | 11 Ų | 11 | 83.2 Ų | 83.2 | 6% | 0.058 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -144.5 | 128.6 | 167.6 | 174.5 | 63.6 | 0 | 0 | 0 | 106.2 | I677 D683 F684 H691 I694 F731 | I677-L679 WeakPolarHBondContact CG2-O 3.43Å; I677-L679 PolarHBondContact O-N 3.36Å; L679-D683 HydrophobicContact CD1-CB 4.01Å; L679-F684 HydrophobicContact CD2-CD2 3.98Å; L679-H691 HydrophobicContact CD2-CB 3.6Å; L679-I694 HydrophobicContact CB-CB 4.44Å; L679-I694 HydrophobicContact CB-CD1 4.4Å; L679-I694 HydrophobicContact CB-CG2 3.7Å; L679-I694 HydrophobicContact CD2-CB 4.37Å; L679-I694 HydrophobicContact CD2-CG2 4.39Å; L679-F731 HydrophobicContact CD2-CE2 4.47Å; L679-F731 HydrophobicContact CG-CE2 4.35Å; L679-F731 WeakPolarHBondContact O-CD2 3.45Å |
| 680 | R | 84.6 | Confident | 65.7 | Low | 112 Ų | 112 | 80.8 Ų | 80.8 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | trans | -83.3 | 150.7 | 174.9 | -60.8 | -174.1 | -62.7 | 160.2 | 10.1 | 110.3 | I677 I682 D683 F684 E734 | I677-R680 HydrophobicContact CB-CG 4.29Å; I677-R680 HydrophobicContact CD1-CG 4.23Å; R680-I682 HydrophobicContact CB-CG2 3.94Å; R680-I682 PolarHBondContact O-N 3.35Å; R680-D683 HydrophobicContact CB-CB 4.47Å; R680-D683 WeakPolarHBondContact CB-OD2 3.08Å; R680-D683 IonicContact CZ-OD1 3.73Å; R680-D683 IonicContact CZ-OD2 3.3Å; R680-D683 VanDerWaalsContact CZ-OD2 3.24Å; R680-D683 IonicContact NE-OD1 2.97Å; R680-D683 IonicContact NE-OD2 3.77Å; R680-D683 PolarHBondContact NE-OD2 3.06Å; R680-D683 VanDerWaalsContact NH2-CG 3.26Å; R680-D683 IonicContact NH2-OD1 2.65Å; R680-D683 PolarHBondContact NH2-OD1 3.35Å; R680-D683 IonicContact NH2-OD2 3.46Å; R680-D683 PolarHBondContact NH2-OD2 3.12Å; R680-D683 PolarHBondContact O-N 3.44Å; R680-F684 PolarHBondContact O-N 3.13Å; R680-F684 VanDerWaalsContact O-N 3.13Å; R680-E734 VanDerWaalsContact CA-OE2 3.24Å; R680-E734 WeakPolarHBondContact CA-OE2 3.07Å; R680-E734 VanDerWaalsContact CB-OE2 3.28Å; R680-E734 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 681 | A | 84.1 | Confident | 68.5 | Low | 11 Ų | 11 | 79.4 Ų | 79.4 | 9% | 0.091 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F731 E734 L735 L738 | A681-F731 VanDerWaalsContact CA-CE2 3.46Å; A681-F731 HydrophobicContact CB-CD2 4.1Å; A681-F731 HydrophobicContact CB-CE1 4.26Å; A681-F731 HydrophobicContact CB-CE2 3.87Å; A681-F731 HydrophobicContact CB-CG 4.41Å; A681-F731 HydrophobicContact CB-CZ 3.93Å; A681-E734 HydrophobicContact CB-CB 3.82Å; A681-E734 HydrophobicContact CB-CG 3.95Å; A681-E734 PolarHBondContact N-OE2 2.61Å; A681-L735 HydrophobicContact CB-CB 3.86Å; A681-L735 HydrophobicContact CB-CD1 4.05Å; A681-L738 HydrophobicContact CB-CD1 3.74Å |
| 682 | I | 78.1 | Confident | 71 | Confident | 99 Ų | 99 | 75.2 Ų | 75.2 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -25 | 170.4 | -165.3 | 167.4 | 0 | 0 | 0 | 113 | R680 L738 | R680-I682 HydrophobicContact CB-CG2 3.94Å; R680-I682 PolarHBondContact O-N 3.35Å; I682-L738 HydrophobicContact CB-CD1 3.76Å; I682-L738 HydrophobicContact CB-CD2 4.36Å; I682-L738 HydrophobicContact CD1-CD2 4.36Å; I682-L738 HydrophobicContact CG1-CD2 4.43Å |
| 683 | D | 83.5 | Confident | 73.5 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -4.1 | 179.8 | -54.2 | -38.5 | 0 | 0 | 0 | 112.1 | L679 R680 H691 | L679-D683 HydrophobicContact CD1-CB 4.01Å; R680-D683 HydrophobicContact CB-CB 4.47Å; R680-D683 WeakPolarHBondContact CB-OD2 3.08Å; R680-D683 IonicContact CZ-OD1 3.73Å; R680-D683 IonicContact CZ-OD2 3.3Å; R680-D683 VanDerWaalsContact CZ-OD2 3.24Å; R680-D683 IonicContact NE-OD1 2.97Å; R680-D683 IonicContact NE-OD2 3.77Å; R680-D683 PolarHBondContact NE-OD2 3.06Å; R680-D683 VanDerWaalsContact NH2-CG 3.26Å; R680-D683 IonicContact NH2-OD1 2.65Å; R680-D683 PolarHBondContact NH2-OD1 3.35Å; R680-D683 IonicContact NH2-OD2 3.46Å; R680-D683 PolarHBondContact NH2-OD2 3.12Å; R680-D683 PolarHBondContact O-N 3.44Å; D683-H691 PolarHBondContact O-CE1 3.09Å |
| 684 | F | 85.3 | Confident | 76.1 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | trans | -67.4 | 142.7 | -179.2 | 176.9 | -113.9 | 0 | 0 | 0 | 112.8 | L679 R680 P686 H691 L692 L695 M702 F731 | L679-F684 HydrophobicContact CD2-CD2 3.98Å; R680-F684 PolarHBondContact O-N 3.13Å; R680-F684 VanDerWaalsContact O-N 3.13Å; F684-P686 HydrophobicContact CE1-CB 3.93Å; F684-P686 HydrophobicContact CZ-CB 3.97Å; F684-H691 HydrophobicContact CD2-CB 3.95Å; F684-H691 HydrophobicContact CE2-CB 4.09Å; F684-L692 HydrophobicContact CE2-CD2 4.4Å; F684-L692 HydrophobicContact CZ-CD2 4.33Å; F684-L695 HydrophobicContact CD2-CD1 4.15Å; F684-L695 HydrophobicContact CD2-CD2 4.49Å; F684-L695 HydrophobicContact CD2-CG 4.27Å; F684-L695 HydrophobicContact CE1-CD1 4.49Å; F684-L695 HydrophobicContact CE2-CD1 3.35Å; F684-L695 HydrophobicContact CE2-CD2 4.45Å; F684-L695 HydrophobicContact CE2-CG 3.83Å; F684-L695 HydrophobicContact CZ-CD1 3.55Å; F684-L695 HydrophobicContact CZ-CG 4.5Å; F684-M702 HydrophobicContact CZ-SD 4.3Å; F684-F731 HydrophobicContact CB-CE2 3.9Å; F684-F731 HydrophobicContact CB-CZ 3.73Å; F684-F731 HydrophobicContact CD1-CZ 4.19Å; F684-F731 HydrophobicContact CD2-CE2 4.47Å; F684-F731 HydrophobicContact CD2-CZ 4.08Å; F684-F731 HydrophobicContact CG-CE2 4.26Å; F684-F731 AromaticContact CG-CZ 3.72Å; F684-F731 HydrophobicContact CG-CZ 3.72Å | ||
| 685 | Q | 78 | Confident | 78.7 | Confident | 91 Ų | 91 | 67 Ų | 67 | 43% | 0.425 | 37% | 0.374 | S | S | . | . | trans | -137.3 | 119.3 | 177.8 | -67.1 | 175 | -51.3 | 0 | 0 | 107.1 | D687 N688 H691 | Q685-D687 VanDerWaalsContact C-N 3.28Å; Q685-D687 WeakPolarHBondContact CB-OD1 3.05Å; Q685-D687 PolarHBondContact O-N 3.1Å; Q685-N688 HydrophobicContact CB-CB 3.63Å; Q685-N688 PolarHBondContact O-N 3.43Å; Q685-N688 PolarHBondContact OE1-ND2 2.73Å; Q685-H691 PolarHBondContact N-ND1 2.9Å; Q685-H691 PolarHBondContact OE1-CE1 3.19Å | ||
| 686 | P | 76 | Confident | 81 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -16.5 | -171.9 | 30.9 | -35.9 | 0 | 0 | 0 | 114.2 | F684 | F684-P686 HydrophobicContact CE1-CB 3.93Å; F684-P686 HydrophobicContact CZ-CB 3.97Å |
| 687 | D | 76 | Confident | 82.9 | Confident | 126 Ų | 126 | 65.5 Ų | 65.5 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -23.1 | 173.3 | 59.8 | -60.9 | 0 | 0 | 0 | 112.9 | Q685 A689 | Q685-D687 VanDerWaalsContact C-N 3.28Å; Q685-D687 WeakPolarHBondContact CB-OD1 3.05Å; Q685-D687 PolarHBondContact O-N 3.1Å; D687-A689 PolarHBondContact O-N 2.68Å |
| 688 | N | 81.3 | Confident | 84.5 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | trans | -78 | 108.5 | -174.4 | -177.6 | -30.6 | 0 | 0 | 0 | 111.3 | Q685 L690 H691 L692 | Q685-N688 HydrophobicContact CB-CB 3.63Å; Q685-N688 PolarHBondContact O-N 3.43Å; Q685-N688 PolarHBondContact OE1-ND2 2.73Å; N688-L690 PolarHBondContact O-N 2.9Å; N688-L690 WeakPolarHBondContact OD1-CB 3.04Å; N688-L690 PolarHBondContact OD1-N 2.9Å; N688-H691 HydrophobicContact CB-CB 3.99Å; N688-H691 PolarHBondContact ND2-CE1 3.42Å; N688-H691 VanDerWaalsContact ND2-CE1 3.31Å; N688-H691 PolarHBondContact ND2-ND1 2.73Å; N688-H691 PolarHBondContact ND2-NE2 2.84Å; N688-H691 WeakPolarHBondContact O-CA 3.42Å; N688-H691 WeakPolarHBondContact O-CB 3.26Å; N688-H691 PolarHBondContact O-N 3.11Å; N688-H691 PolarHBondContact OD1-N 3.11Å; N688-L692 PolarHBondContact O-N 3.19Å | ||
| 689 | A | 81.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.8 | -26.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D687 N693 | D687-A689 PolarHBondContact O-N 2.68Å; A689-N693 PolarHBondContact O-N 3.39Å; A689-N693 PolarHBondContact O-ND2 2.72Å |
| 690 | L | 84.5 | Confident | 85.7 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 61% | 0.613 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.8 | -43.7 | 172.8 | -176.3 | 66.3 | 0 | 0 | 0 | 110.3 | N688 L692 N693 I694 | N688-L690 PolarHBondContact O-N 2.9Å; N688-L690 WeakPolarHBondContact OD1-CB 3.04Å; N688-L690 PolarHBondContact OD1-N 2.9Å; L690-L692 PolarHBondContact O-N 2.76Å; L690-N693 PolarHBondContact O-N 2.9Å; L690-I694 HydrophobicContact CG-CD1 4.1Å; L690-I694 WeakPolarHBondContact O-CG1 3.48Å; L690-I694 PolarHBondContact O-N 3.02Å |
| 691 | H | 90.8 | Very high | 85.8 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 177.9 | -66.6 | 176.4 | 0 | 0 | 0 | 112.3 | L679 D683 F684 Q685 N688 N693 I694 L695 | L679-H691 HydrophobicContact CD2-CB 3.6Å; D683-H691 PolarHBondContact O-CE1 3.09Å; F684-H691 HydrophobicContact CD2-CB 3.95Å; F684-H691 HydrophobicContact CE2-CB 4.09Å; Q685-H691 PolarHBondContact N-ND1 2.9Å; Q685-H691 PolarHBondContact OE1-CE1 3.19Å; N688-H691 HydrophobicContact CB-CB 3.99Å; N688-H691 PolarHBondContact ND2-CE1 3.42Å; N688-H691 VanDerWaalsContact ND2-CE1 3.31Å; N688-H691 PolarHBondContact ND2-ND1 2.73Å; N688-H691 PolarHBondContact ND2-NE2 2.84Å; N688-H691 WeakPolarHBondContact O-CA 3.42Å; N688-H691 WeakPolarHBondContact O-CB 3.26Å; N688-H691 PolarHBondContact O-N 3.11Å; N688-H691 PolarHBondContact OD1-N 3.11Å; H691-N693 VanDerWaalsContact C-N 3.33Å; H691-N693 PolarHBondContact O-N 2.74Å; H691-I694 PolarHBondContact O-N 2.72Å; H691-L695 WeakPolarHBondContact O-CG 3.43Å; H691-L695 PolarHBondContact O-N 2.69Å |
| 692 | L | 87.9 | Confident | 85.8 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 173.2 | -64.7 | 177.9 | 0 | 0 | 0 | 112.7 | F684 N688 L690 K696 M702 | F684-L692 HydrophobicContact CE2-CD2 4.4Å; F684-L692 HydrophobicContact CZ-CD2 4.33Å; N688-L692 PolarHBondContact O-N 3.19Å; L690-L692 PolarHBondContact O-N 2.76Å; L692-K696 WeakPolarHBondContact O-CB 3.32Å; L692-K696 PolarHBondContact O-N 2.86Å; L692-K696 VanDerWaalsContact O-N 3.1Å; L692-M702 HydrophobicContact CD2-CE 3.66Å; L692-M702 HydrophobicContact CD2-SD 4.12Å |
| 693 | N | 87.7 | Confident | 85.8 | Confident | 104 Ų | 104 | 57 Ų | 57 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.2 | -37.9 | 173.3 | -76.2 | -47.7 | 0 | 0 | 0 | 112.1 | A689 L690 H691 K696 S697 | A689-N693 PolarHBondContact O-N 3.39Å; A689-N693 PolarHBondContact O-ND2 2.72Å; L690-N693 PolarHBondContact O-N 2.9Å; H691-N693 VanDerWaalsContact C-N 3.33Å; H691-N693 PolarHBondContact O-N 2.74Å; N693-K696 PolarHBondContact O-N 2.62Å; N693-S697 PolarHBondContact O-N 2.99Å |
| 694 | I | 90.4 | Very high | 85.4 | Confident | 34 Ų | 34 | 61 Ų | 61 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 175 | -64.2 | 163.5 | 0 | 0 | 0 | 110.4 | P678 L679 L690 H691 K696 S697 M698 | P678-I694 HydrophobicContact CB-CG2 4.21Å; L679-I694 HydrophobicContact CB-CB 4.44Å; L679-I694 HydrophobicContact CB-CD1 4.4Å; L679-I694 HydrophobicContact CB-CG2 3.7Å; L679-I694 HydrophobicContact CD2-CB 4.37Å; L679-I694 HydrophobicContact CD2-CG2 4.39Å; L690-I694 HydrophobicContact CG-CD1 4.1Å; L690-I694 WeakPolarHBondContact O-CG1 3.48Å; L690-I694 PolarHBondContact O-N 3.02Å; H691-I694 PolarHBondContact O-N 2.72Å; I694-K696 VanDerWaalsContact C-N 3.27Å; I694-K696 PolarHBondContact O-N 2.94Å; I694-S697 WeakPolarHBondContact CA-OG 3.47Å; I694-S697 PolarHBondContact O-N 2.79Å; I694-S697 VanDerWaalsContact O-N 3.14Å; I694-S697 PolarHBondContact O-OG 3.37Å; I694-M698 HydrophobicContact CG2-CE 4.03Å; I694-M698 HydrophobicContact CG2-CG 4.41Å; I694-M698 HydrophobicContact CG2-SD 4.16Å; I694-M698 WeakPolarHBondContact O-CG 3.18Å; I694-M698 PolarHBondContact O-N 3.26Å |
| 695 | L | 91.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -50.9 | -48.4 | 172.1 | -76.6 | -169.2 | 0 | 0 | 0 | 111.6 | F684 H691 M698 G699 I700 L712 F731 | F684-L695 HydrophobicContact CD2-CD1 4.15Å; F684-L695 HydrophobicContact CD2-CD2 4.49Å; F684-L695 HydrophobicContact CD2-CG 4.27Å; F684-L695 HydrophobicContact CE1-CD1 4.49Å; F684-L695 HydrophobicContact CE2-CD1 3.35Å; F684-L695 HydrophobicContact CE2-CD2 4.45Å; F684-L695 HydrophobicContact CE2-CG 3.83Å; F684-L695 HydrophobicContact CZ-CD1 3.55Å; F684-L695 HydrophobicContact CZ-CG 4.5Å; H691-L695 WeakPolarHBondContact O-CG 3.43Å; H691-L695 PolarHBondContact O-N 2.69Å; L695-M698 HydrophobicContact CD2-CE 4.01Å; L695-M698 CarbonylContact O-C 3.06Å; L695-M698 WeakPolarHBondContact O-CA 3.41Å; L695-M698 PolarHBondContact O-N 2.79Å; L695-M698 VanDerWaalsContact O-N 3.1Å; L695-G699 PolarHBondContact O-N 3.41Å; L695-I700 CarbonylContact C-O 3.48Å; L695-I700 HydrophobicContact CB-CB 4.13Å; L695-I700 HydrophobicContact CB-CG2 4.44Å; L695-I700 HydrophobicContact CD1-CG2 4.36Å; L695-I700 HydrophobicContact CD2-CB 4.24Å; L695-I700 HydrophobicContact CD2-CD1 3.76Å; L695-I700 HydrophobicContact CD2-CG2 4.24Å; L695-I700 WeakPolarHBondContact O-CB 3.39Å; L695-I700 PolarHBondContact O-N 2.97Å; L695-L712 HydrophobicContact CD1-CD2 4.04Å; L695-F731 HydrophobicContact CD2-CD1 3.84Å; L695-F731 HydrophobicContact CD2-CD2 4.14Å; L695-F731 HydrophobicContact CD2-CE1 3.54Å; L695-F731 HydrophobicContact CD2-CE2 3.84Å; L695-F731 HydrophobicContact CD2-CG 4.15Å; L695-F731 HydrophobicContact CD2-CZ 3.55Å |
| 696 | K | 91 | Very high | 83.5 | Confident | 147 Ų | 147 | 68.5 Ų | 68.5 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 179.2 | -170.4 | 179.5 | 178 | -174.9 | 0 | 112.4 | L692 N693 I694 M698 G699 | L692-K696 WeakPolarHBondContact O-CB 3.32Å; L692-K696 PolarHBondContact O-N 2.86Å; L692-K696 VanDerWaalsContact O-N 3.1Å; N693-K696 PolarHBondContact O-N 2.62Å; I694-K696 VanDerWaalsContact C-N 3.27Å; I694-K696 PolarHBondContact O-N 2.94Å; K696-M698 PolarHBondContact O-N 3.41Å; K696-G699 PolarHBondContact O-N 2.95Å |
| 697 | S | 91.4 | Very high | 82.5 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 21% | 0.21 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.7 | -28.9 | 174.4 | 74.1 | 0 | 0 | 0 | 0 | 112.9 | N693 I694 G699 A719 D720 S724 | N693-S697 PolarHBondContact O-N 2.99Å; I694-S697 WeakPolarHBondContact CA-OG 3.47Å; I694-S697 PolarHBondContact O-N 2.79Å; I694-S697 VanDerWaalsContact O-N 3.14Å; I694-S697 PolarHBondContact O-OG 3.37Å; S697-G699 VanDerWaalsContact C-N 3.28Å; S697-G699 PolarHBondContact O-N 3.42Å; S697-A719 CarbonylContact O-C 3.34Å; S697-A719 VanDerWaalsContact O-CA 3.28Å; S697-A719 WeakPolarHBondContact O-CA 3.16Å; S697-A719 WeakPolarHBondContact O-CB 3.41Å; S697-D720 WeakPolarHBondContact CA-OD2 3.42Å; S697-D720 WeakPolarHBondContact CB-OD2 3.45Å; S697-D720 PolarHBondContact O-N 3.15Å; S697-S724 WeakPolarHBondContact O-CB 3.48Å |
| 698 | M | 92.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 11.8 | 173.5 | -62.4 | -171.9 | -50.2 | 0 | 0 | 113.1 | P678 I694 L695 K696 I700 H714 S724 A727 G728 F731 | P678-M698 HydrophobicContact CB-SD 4.36Å; P678-M698 HydrophobicContact CG-SD 4.14Å; I694-M698 HydrophobicContact CG2-CE 4.03Å; I694-M698 HydrophobicContact CG2-CG 4.41Å; I694-M698 HydrophobicContact CG2-SD 4.16Å; I694-M698 WeakPolarHBondContact O-CG 3.18Å; I694-M698 PolarHBondContact O-N 3.26Å; L695-M698 HydrophobicContact CD2-CE 4.01Å; L695-M698 CarbonylContact O-C 3.06Å; L695-M698 WeakPolarHBondContact O-CA 3.41Å; L695-M698 PolarHBondContact O-N 2.79Å; L695-M698 VanDerWaalsContact O-N 3.1Å; K696-M698 PolarHBondContact O-N 3.41Å; M698-I700 VanDerWaalsContact C-N 3.27Å; M698-I700 HydrophobicContact CE-CD1 4.31Å; M698-I700 PolarHBondContact O-N 3.39Å; M698-H714 PolarHBondContact O-CD2 2.88Å; M698-H714 PolarHBondContact O-NE2 3.05Å; M698-S724 VanDerWaalsContact CA-O 3.32Å; M698-S724 WeakPolarHBondContact CA-O 3.49Å; M698-S724 WeakPolarHBondContact CB-O 3.21Å; M698-A727 HydrophobicContact CG-CB 4.14Å; M698-A727 HydrophobicContact SD-CB 3.66Å; M698-G728 WeakPolarHBondContact O-CA 3.47Å; M698-F731 HydrophobicContact CE-CB 3.95Å; M698-F731 HydrophobicContact CE-CD2 3.85Å; M698-F731 HydrophobicContact CE-CG 3.98Å |
| 699 | G | 91.1 | Very high | 80.2 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73 | 12.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | L695 K696 S697 H714 H715 | L695-G699 PolarHBondContact O-N 3.41Å; K696-G699 PolarHBondContact O-N 2.95Å; S697-G699 VanDerWaalsContact C-N 3.28Å; S697-G699 PolarHBondContact O-N 3.42Å; G699-H714 WeakPolarHBondContact O-CA 3.26Å; G699-H715 PolarHBondContact O-N 2.99Å |
| 700 | I | 92.4 | Very high | 79.7 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.9 | 178.5 | -59.3 | 170.7 | 0 | 0 | 0 | 109.7 | L695 M698 L712 H714 F731 I732 | L695-I700 CarbonylContact C-O 3.48Å; L695-I700 HydrophobicContact CB-CB 4.13Å; L695-I700 HydrophobicContact CB-CG2 4.44Å; L695-I700 HydrophobicContact CD1-CG2 4.36Å; L695-I700 HydrophobicContact CD2-CB 4.24Å; L695-I700 HydrophobicContact CD2-CD1 3.76Å; L695-I700 HydrophobicContact CD2-CG2 4.24Å; L695-I700 WeakPolarHBondContact O-CB 3.39Å; L695-I700 PolarHBondContact O-N 2.97Å; M698-I700 VanDerWaalsContact C-N 3.27Å; M698-I700 HydrophobicContact CE-CD1 4.31Å; M698-I700 PolarHBondContact O-N 3.39Å; I700-L712 HydrophobicContact CG2-CB 4.42Å; I700-L712 HydrophobicContact CG2-CD2 3.69Å; I700-H714 HydrophobicContact CG1-CB 4.13Å; I700-F731 HydrophobicContact CD1-CB 3.91Å; I700-F731 HydrophobicContact CD1-CD1 3.47Å; I700-F731 VanDerWaalsContact CD1-CD1 3.47Å; I700-F731 HydrophobicContact CD1-CE1 4.31Å; I700-F731 HydrophobicContact CD1-CG 3.86Å; I700-I732 HydrophobicContact CD1-CG1 3.96Å; I700-I732 HydrophobicContact CG1-CD1 4.44Å; I700-I732 HydrophobicContact CG1-CG1 4.36Å |
| 701 | S | 87.1 | Confident | 79.4 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 154.4 | 169.7 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | L712 T713 | S701-L712 CarbonylContact O-C 3.49Å; S701-L712 WeakPolarHBondContact O-CA 3.39Å; S701-T713 PolarHBondContact N-O 3.5Å; S701-T713 PolarHBondContact O-N 3.2Å; S701-T713 PolarHBondContact OG-O 3.2Å |
| 702 | M | 84.2 | Confident | 79.1 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 29% | 0.286 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.9 | -173.9 | -168.7 | 173.3 | 83.8 | 0 | 0 | 109.9 | F684 L692 F704 L710 T711 L712 | F684-M702 HydrophobicContact CZ-SD 4.3Å; L692-M702 HydrophobicContact CD2-CE 3.66Å; L692-M702 HydrophobicContact CD2-SD 4.12Å; M702-F704 HydrophobicContact CE-CE2 3.99Å; M702-F704 HydrophobicContact CE-CZ 4.17Å; M702-L710 HydrophobicContact CE-CD1 4.27Å; M702-L710 HydrophobicContact CG-CD1 3.53Å; M702-L710 HydrophobicContact CG-CD2 4.37Å; M702-L710 HydrophobicContact CG-CG 4.04Å; M702-L710 HydrophobicContact SD-CD1 3.81Å; M702-L710 HydrophobicContact SD-CD2 3.97Å; M702-L710 HydrophobicContact SD-CG 4.26Å; M702-T711 WeakPolarHBondContact CA-O 3.44Å; M702-L712 HydrophobicContact CB-CD2 3.74Å; M702-L712 HydrophobicContact CG-CD2 3.62Å; M702-L712 HydrophobicContact CG-CG 4.18Å; M702-L712 HydrophobicContact SD-CD2 4Å |
| 703 | S | 78.4 | Confident | 79.1 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.8 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | T711 | S703-T711 PolarHBondContact N-O 2.73Å; S703-T711 PolarHBondContact O-N 2.89Å |
| 704 | F | 73.4 | Confident | 79.2 | Confident | 153 Ų | 153 | 67 Ų | 67 | 67% | 0.671 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.8 | 174.6 | -67.4 | -95.5 | 0 | 0 | 0 | 109 | M702 L710 | M702-F704 HydrophobicContact CE-CE2 3.99Å; M702-F704 HydrophobicContact CE-CZ 4.17Å; F704-L710 HydrophobicContact CD1-CD1 3.83Å; F704-L710 HydrophobicContact CD2-CD1 4.26Å; F704-L710 HydrophobicContact CE1-CD1 3.53Å; F704-L710 HydrophobicContact CE2-CD1 3.98Å; F704-L710 HydrophobicContact CG-CD1 4.19Å; F704-L710 HydrophobicContact CZ-CD1 3.61Å |
| 705 | N | 64.7 | Low | 79.2 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | trans | -80.7 | 157.7 | 175 | -62.1 | -11.4 | 0 | 0 | 0 | 110.2 | D707 G708 R709 T711 | N705-D707 WeakPolarHBondContact CB-OD1 3.06Å; N705-D707 PolarHBondContact O-N 2.96Å; N705-D707 VanDerWaalsContact O-N 3.14Å; N705-G708 PolarHBondContact O-N 3.23Å; N705-R709 HydrophobicContact CB-CB 4.29Å; N705-R709 PolarHBondContact N-O 3.33Å; N705-T711 VanDerWaalsContact CG-OG1 3.28Å; N705-T711 PolarHBondContact ND2-OG1 3.38Å; N705-T711 PolarHBondContact OD1-OG1 2.9Å | ||
| 706 | Q | 59.6 | Low | 78.8 | Confident | 214 Ų | 214 | 75.9 Ų | 75.9 | 100% | 1 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.2 | -179.1 | -65.4 | -179 | -4.9 | 0 | 0 | 114 | G708 | Q706-G708 VanDerWaalsContact C-N 3.32Š|
| 707 | D | 54.9 | Low | 78.5 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.8 | 172.9 | 70.5 | -15.4 | 0 | 0 | 0 | 113.4 | N705 R709 | N705-D707 WeakPolarHBondContact CB-OD1 3.06Å; N705-D707 PolarHBondContact O-N 2.96Å; N705-D707 VanDerWaalsContact O-N 3.14Å; D707-R709 VanDerWaalsContact C-N 3.35Å; D707-R709 WeakPolarHBondContact OD1-CB 2.25Å; D707-R709 WeakPolarHBondContact OD1-CG 2.23Å; D707-R709 PolarHBondContact OD1-N 2.84Å; D707-R709 WeakPolarHBondContact OD2-CD 2.23Å; D707-R709 WeakPolarHBondContact OD2-CG 2.59Å; D707-R709 IonicContact OD2-CZ 3.73Å; D707-R709 IonicContact OD2-NE 2.7Å; D707-R709 PolarHBondContact OD2-NE 3.28Å |
| 708 | G | 51.9 | Low | 78.4 | Confident | 64 Ų | 64 | 77 Ų | 77 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 82.9 | 3.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N705 Q706 | N705-G708 PolarHBondContact O-N 3.23Å; Q706-G708 VanDerWaalsContact C-N 3.32Å |
| 709 | R | 57.9 | Low | 78.2 | Confident | 172 Ų | 172 | 77.9 Ų | 77.9 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -75 | 140.4 | 175 | -66.1 | 178.8 | -171.5 | 177 | 3.7 | 111.7 | N705 D707 | N705-R709 HydrophobicContact CB-CB 4.29Å; N705-R709 PolarHBondContact N-O 3.33Å; D707-R709 VanDerWaalsContact C-N 3.35Å; D707-R709 WeakPolarHBondContact OD1-CB 2.25Å; D707-R709 WeakPolarHBondContact OD1-CG 2.23Å; D707-R709 PolarHBondContact OD1-N 2.84Å; D707-R709 WeakPolarHBondContact OD2-CD 2.23Å; D707-R709 WeakPolarHBondContact OD2-CG 2.59Å; D707-R709 IonicContact OD2-CZ 3.73Å; D707-R709 IonicContact OD2-NE 2.7Å; D707-R709 PolarHBondContact OD2-NE 3.28Å |
| 710 | L | 71.5 | Confident | 78.1 | Confident | 73 Ų | 73 | 84.1 Ų | 84.1 | 38% | 0.382 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.1 | 168.7 | -166.1 | 67.9 | 0 | 0 | 0 | 109.6 | M702 F704 L712 | M702-L710 HydrophobicContact CE-CD1 4.27Å; M702-L710 HydrophobicContact CG-CD1 3.53Å; M702-L710 HydrophobicContact CG-CD2 4.37Å; M702-L710 HydrophobicContact CG-CG 4.04Å; M702-L710 HydrophobicContact SD-CD1 3.81Å; M702-L710 HydrophobicContact SD-CD2 3.97Å; M702-L710 HydrophobicContact SD-CG 4.26Å; F704-L710 HydrophobicContact CD1-CD1 3.83Å; F704-L710 HydrophobicContact CD2-CD1 4.26Å; F704-L710 HydrophobicContact CE1-CD1 3.53Å; F704-L710 HydrophobicContact CE2-CD1 3.98Å; F704-L710 HydrophobicContact CG-CD1 4.19Å; F704-L710 HydrophobicContact CZ-CD1 3.61Å; L710-L712 HydrophobicContact CD2-CD1 4.1Å |
| 711 | T | 77.9 | Confident | 77.8 | Confident | 45 Ų | 45 | 86.1 Ų | 86.1 | 28% | 0.276 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.2 | 171.7 | -53.2 | 0 | 0 | 0 | 0 | 108.7 | M702 S703 N705 | M702-T711 WeakPolarHBondContact CA-O 3.44Å; S703-T711 PolarHBondContact N-O 2.73Å; S703-T711 PolarHBondContact O-N 2.89Å; N705-T711 VanDerWaalsContact CG-OG1 3.28Å; N705-T711 PolarHBondContact ND2-OG1 3.38Å; N705-T711 PolarHBondContact OD1-OG1 2.9Å |
| 712 | L | 84.2 | Confident | 77.5 | Confident | 35 Ų | 35 | 90.2 Ų | 90.2 | 18% | 0.183 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 114.7 | 177 | -78.8 | 155.6 | 0 | 0 | 0 | 108.8 | L695 I700 S701 M702 L710 L735 | L695-L712 HydrophobicContact CD1-CD2 4.04Å; I700-L712 HydrophobicContact CG2-CB 4.42Å; I700-L712 HydrophobicContact CG2-CD2 3.69Å; S701-L712 CarbonylContact O-C 3.49Å; S701-L712 WeakPolarHBondContact O-CA 3.39Å; M702-L712 HydrophobicContact CB-CD2 3.74Å; M702-L712 HydrophobicContact CG-CD2 3.62Å; M702-L712 HydrophobicContact CG-CG 4.18Å; M702-L712 HydrophobicContact SD-CD2 4Å; L710-L712 HydrophobicContact CD2-CD1 4.1Å; L712-L735 HydrophobicContact CD1-CD2 3.49Å; L712-L735 VanDerWaalsContact CD1-CD2 3.49Å |
| 713 | T | 87.1 | Confident | 77.3 | Confident | 52 Ų | 52 | 93.7 Ų | 93.7 | 32% | 0.319 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 112.6 | -172.1 | -52 | 0 | 0 | 0 | 0 | 109.8 | S701 H715 | S701-T713 PolarHBondContact N-O 3.5Å; S701-T713 PolarHBondContact O-N 3.2Å; S701-T713 PolarHBondContact OG-O 3.2Å; T713-H715 WeakPolarHBondContact CG2-NE2 3.48Å |
| 714 | H | 91.2 | Very high | 77.6 | Confident | 44 Ų | 44 | 92.2 Ų | 92.2 | 20% | 0.204 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.4 | 176.2 | 173.3 | -111.7 | 0 | 0 | 0 | 111.9 | M698 G699 I700 A725 V729 I732 | M698-H714 PolarHBondContact O-CD2 2.88Å; M698-H714 PolarHBondContact O-NE2 3.05Å; G699-H714 WeakPolarHBondContact O-CA 3.26Å; I700-H714 HydrophobicContact CG1-CB 4.13Å; H714-A725 PolarHBondContact NE2-O 2.95Å; H714-V729 VanDerWaalsContact CE1-CG2 3.43Å; H714-V729 WeakPolarHBondContact CE1-CG2 3.16Å; H714-I732 HydrophobicContact CB-CD1 3.52Å; H714-I732 HydrophobicContact CB-CG1 4.36Å |
| 715 | H | 88.9 | Confident | 78.1 | Confident | 102 Ų | 102 | 85.5 Ų | 85.5 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 113.3 | 170.6 | -63.4 | -66.4 | 0 | 0 | 0 | 109.3 | G699 T713 N717 A718 | G699-H715 PolarHBondContact O-N 2.99Å; T713-H715 WeakPolarHBondContact CG2-NE2 3.48Å; H715-N717 PolarHBondContact O-N 3.37Å; H715-A718 HydrophobicContact CB-CB 3.93Å; H715-A718 WeakPolarHBondContact O-CB 3.35Å; H715-A718 PolarHBondContact O-N 2.83Å |
| 716 | H | 83.3 | Confident | 79 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.1 | -35.1 | -179 | 57.5 | -91.8 | 0 | 0 | 0 | 113.4 | A718 A719 A725 | H716-A718 PolarHBondContact O-N 2.92Å; H716-A719 PolarHBondContact O-N 3.03Å; H716-A725 HydrophobicContact CB-CB 4.22Å |
| 717 | N | 85.3 | Confident | 80.2 | Confident | 145 Ų | 145 | 76 Ų | 76 | 78% | 0.775 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -4 | 176.5 | -67.2 | -35.8 | 0 | 0 | 0 | 114.4 | H715 | H715-N717 PolarHBondContact O-N 3.37Å |
| 718 | A | 87.8 | Confident | 81.8 | Confident | 56 Ų | 56 | 71.5 Ų | 71.5 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -0.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | H715 H716 | H715-A718 HydrophobicContact CB-CB 3.93Å; H715-A718 WeakPolarHBondContact O-CB 3.35Å; H715-A718 PolarHBondContact O-N 2.83Å; H716-A718 PolarHBondContact O-N 2.92Å |
| 719 | A | 88.9 | Confident | 83.4 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 150.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | S697 H716 S721 A725 | S697-A719 CarbonylContact O-C 3.34Å; S697-A719 VanDerWaalsContact O-CA 3.28Å; S697-A719 WeakPolarHBondContact O-CA 3.16Å; S697-A719 WeakPolarHBondContact O-CB 3.41Å; H716-A719 PolarHBondContact O-N 3.03Å; A719-S721 PolarHBondContact O-N 3.39Å; A719-A725 HydrophobicContact CB-CB 3.78Å |
| 720 | D | 88.9 | Confident | 84.7 | Confident | 133 Ų | 133 | 66.6 Ų | 66.6 | 71% | 0.711 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -70.6 | -18 | -177.1 | -67.8 | -30.9 | 0 | 0 | 0 | 113.4 | S697 | S697-D720 WeakPolarHBondContact CA-OD2 3.42Å; S697-D720 WeakPolarHBondContact CB-OD2 3.45Å; S697-D720 PolarHBondContact O-N 3.15Å |
| 721 | S | 87.5 | Confident | 85.7 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -157.2 | 168.7 | 177.6 | 78.8 | 0 | 0 | 0 | 0 | 112.1 | A719 D723 S724 A725 | A719-S721 PolarHBondContact O-N 3.39Å; S721-D723 VanDerWaalsContact C-N 3.32Å; S721-D723 PolarHBondContact OG-N 3.12Å; S721-S724 WeakPolarHBondContact O-CB 3.39Å; S721-S724 PolarHBondContact O-N 3.42Å; S721-S724 WeakPolarHBondContact OG-CB 3.03Å; S721-S724 PolarHBondContact OG-N 3.25Å; S721-S724 PolarHBondContact OG-OG 3.49Å; S721-A725 PolarHBondContact O-N 3.11Å |
| 722 | I | 79.7 | Confident | 86.1 | Confident | 141 Ų | 141 | 62.5 Ų | 62.5 | 72% | 0.723 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 173.6 | -62.7 | 172.6 | 0 | 0 | 0 | 110.4 | S724 A725 T726 | I722-S724 VanDerWaalsContact C-N 3.3Å; I722-S724 PolarHBondContact O-N 2.74Å; I722-A725 PolarHBondContact O-N 3.04Å; I722-T726 PolarHBondContact O-N 2.93Å; I722-T726 PolarHBondContact O-OG1 3.41Å; I722-T726 VanDerWaalsContact O-OG1 3.08Å |
| 723 | D | 80.3 | Confident | 86 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.4 | -37.2 | 176.5 | -59.7 | -44.3 | 0 | 0 | 0 | 111.3 | S721 T726 A727 | S721-D723 VanDerWaalsContact C-N 3.32Å; S721-D723 PolarHBondContact OG-N 3.12Å; D723-T726 PolarHBondContact O-N 3.11Å; D723-A727 WeakPolarHBondContact O-CB 3.41Å; D723-A727 PolarHBondContact O-N 2.99Å |
| 724 | S | 85.6 | Confident | 85.8 | Confident | 24 Ų | 24 | 64.8 Ų | 64.8 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.7 | -40 | 174.5 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | S697 M698 S721 I722 A727 G728 | S697-S724 WeakPolarHBondContact O-CB 3.48Å; M698-S724 VanDerWaalsContact CA-O 3.32Å; M698-S724 WeakPolarHBondContact CA-O 3.49Å; M698-S724 WeakPolarHBondContact CB-O 3.21Å; S721-S724 WeakPolarHBondContact O-CB 3.39Å; S721-S724 PolarHBondContact O-N 3.42Å; S721-S724 WeakPolarHBondContact OG-CB 3.03Å; S721-S724 PolarHBondContact OG-N 3.25Å; S721-S724 PolarHBondContact OG-OG 3.49Å; I722-S724 VanDerWaalsContact C-N 3.3Å; I722-S724 PolarHBondContact O-N 2.74Å; S724-A727 PolarHBondContact O-N 2.94Å; S724-G728 PolarHBondContact O-N 2.8Å |
| 725 | A | 83.7 | Confident | 85.4 | Confident | 12 Ų | 12 | 65 Ų | 65 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H714 H716 A719 S721 I722 A727 G728 V729 | H714-A725 PolarHBondContact NE2-O 2.95Å; H716-A725 HydrophobicContact CB-CB 4.22Å; A719-A725 HydrophobicContact CB-CB 3.78Å; S721-A725 PolarHBondContact O-N 3.11Å; I722-A725 PolarHBondContact O-N 3.04Å; A725-A727 VanDerWaalsContact C-N 3.34Å; A725-G728 PolarHBondContact O-N 2.79Å; A725-V729 WeakPolarHBondContact O-CG2 3.42Å; A725-V729 PolarHBondContact O-N 2.75Å |
| 726 | T | 82.4 | Confident | 84.8 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 172.8 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | I722 D723 G728 V729 I730 | I722-T726 PolarHBondContact O-N 2.93Å; I722-T726 PolarHBondContact O-OG1 3.41Å; I722-T726 VanDerWaalsContact O-OG1 3.08Å; D723-T726 PolarHBondContact O-N 3.11Å; T726-G728 VanDerWaalsContact C-N 3.31Å; T726-G728 PolarHBondContact O-N 3.47Å; T726-V729 PolarHBondContact O-N 3.07Å; T726-I730 HydrophobicContact CG2-CD1 3.91Å; T726-I730 VanDerWaalsContact O-CG1 3.25Å; T726-I730 WeakPolarHBondContact O-CG1 3.02Å; T726-I730 PolarHBondContact O-N 3.16Å |
| 727 | A | 85.9 | Confident | 84.2 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | I677 P678 M698 D723 S724 A725 I730 F731 | I677-A727 HydrophobicContact CG2-CB 4.45Å; P678-A727 VanDerWaalsContact CD-CB 3.45Å; P678-A727 HydrophobicContact CG-CB 3.97Å; M698-A727 HydrophobicContact CG-CB 4.14Å; M698-A727 HydrophobicContact SD-CB 3.66Å; D723-A727 WeakPolarHBondContact O-CB 3.41Å; D723-A727 PolarHBondContact O-N 2.99Å; S724-A727 PolarHBondContact O-N 2.94Å; A725-A727 VanDerWaalsContact C-N 3.34Å; A727-I730 PolarHBondContact O-N 2.78Å; A727-F731 VanDerWaalsContact O-CB 3.3Å; A727-F731 WeakPolarHBondContact O-CB 3.39Å; A727-F731 PolarHBondContact O-N 3.39Å |
| 728 | G | 89 | Confident | 83.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M698 S724 A725 T726 F731 I732 | M698-G728 WeakPolarHBondContact O-CA 3.47Å; S724-G728 PolarHBondContact O-N 2.8Å; A725-G728 PolarHBondContact O-N 2.79Å; T726-G728 VanDerWaalsContact C-N 3.31Å; T726-G728 PolarHBondContact O-N 3.47Å; G728-F731 PolarHBondContact O-N 3.34Å; G728-I732 PolarHBondContact O-N 2.85Å |
| 729 | V | 85.3 | Confident | 82.3 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 171.4 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | H714 A725 T726 F731 I732 Q733 | H714-V729 VanDerWaalsContact CE1-CG2 3.43Å; H714-V729 WeakPolarHBondContact CE1-CG2 3.16Å; A725-V729 WeakPolarHBondContact O-CG2 3.42Å; A725-V729 PolarHBondContact O-N 2.75Å; T726-V729 PolarHBondContact O-N 3.07Å; V729-F731 VanDerWaalsContact C-N 3.33Å; V729-F731 PolarHBondContact O-N 3.01Å; V729-I732 PolarHBondContact O-N 2.82Å; V729-Q733 WeakPolarHBondContact O-CB 3.2Å; V729-Q733 PolarHBondContact O-N 2.92Å |
| 730 | I | 84.8 | Confident | 80.9 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 179.3 | -59.8 | 162.9 | 0 | 0 | 0 | 110.7 | I677 T726 A727 Q733 E734 | I677-I730 HydrophobicContact CD1-CG2 3.47Å; I677-I730 VanDerWaalsContact CD1-CG2 3.47Å; I677-I730 HydrophobicContact CG1-CG2 3.85Å; T726-I730 HydrophobicContact CG2-CD1 3.91Å; T726-I730 VanDerWaalsContact O-CG1 3.25Å; T726-I730 WeakPolarHBondContact O-CG1 3.02Å; T726-I730 PolarHBondContact O-N 3.16Å; A727-I730 PolarHBondContact O-N 2.78Å; I730-Q733 PolarHBondContact O-N 3.46Å; I730-E734 VanDerWaalsContact O-CB 3.31Å; I730-E734 WeakPolarHBondContact O-CB 3.48Å; I730-E734 PolarHBondContact O-N 3Å |
| 731 | F | 91.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 174.3 | -179.2 | -79.7 | 0 | 0 | 0 | 111.3 | L679 A681 F684 L695 M698 I700 A727 G728 V729 Q733 E734 L735 | L679-F731 HydrophobicContact CD2-CE2 4.47Å; L679-F731 HydrophobicContact CG-CE2 4.35Å; L679-F731 WeakPolarHBondContact O-CD2 3.45Å; A681-F731 VanDerWaalsContact CA-CE2 3.46Å; A681-F731 HydrophobicContact CB-CD2 4.1Å; A681-F731 HydrophobicContact CB-CE1 4.26Å; A681-F731 HydrophobicContact CB-CE2 3.87Å; A681-F731 HydrophobicContact CB-CG 4.41Å; A681-F731 HydrophobicContact CB-CZ 3.93Å; F684-F731 HydrophobicContact CB-CE2 3.9Å; F684-F731 HydrophobicContact CB-CZ 3.73Å; F684-F731 HydrophobicContact CD1-CZ 4.19Å; F684-F731 HydrophobicContact CD2-CE2 4.47Å; F684-F731 HydrophobicContact CD2-CZ 4.08Å; F684-F731 HydrophobicContact CG-CE2 4.26Å; F684-F731 AromaticContact CG-CZ 3.72Å; F684-F731 HydrophobicContact CG-CZ 3.72Å; L695-F731 HydrophobicContact CD2-CD1 3.84Å; L695-F731 HydrophobicContact CD2-CD2 4.14Å; L695-F731 HydrophobicContact CD2-CE1 3.54Å; L695-F731 HydrophobicContact CD2-CE2 3.84Å; L695-F731 HydrophobicContact CD2-CG 4.15Å; L695-F731 HydrophobicContact CD2-CZ 3.55Å; M698-F731 HydrophobicContact CE-CB 3.95Å; M698-F731 HydrophobicContact CE-CD2 3.85Å; M698-F731 HydrophobicContact CE-CG 3.98Å; I700-F731 HydrophobicContact CD1-CB 3.91Å; I700-F731 HydrophobicContact CD1-CD1 3.47Å; I700-F731 VanDerWaalsContact CD1-CD1 3.47Å; I700-F731 HydrophobicContact CD1-CE1 4.31Å; I700-F731 HydrophobicContact CD1-CG 3.86Å; A727-F731 VanDerWaalsContact O-CB 3.3Å; A727-F731 WeakPolarHBondContact O-CB 3.39Å; A727-F731 PolarHBondContact O-N 3.39Å; G728-F731 PolarHBondContact O-N 3.34Å; V729-F731 VanDerWaalsContact C-N 3.33Å; V729-F731 PolarHBondContact O-N 3.01Å; F731-Q733 VanDerWaalsContact C-N 3.34Å; F731-Q733 PolarHBondContact O-N 2.82Å; F731-E734 PolarHBondContact O-N 2.04Å; F731-L735 HydrophobicContact CE1-CB 4.34Å; F731-L735 HydrophobicContact CE1-CD1 4.22Å; F731-L735 HydrophobicContact CZ-CD1 4.43Å; F731-L735 WeakPolarHBondContact O-CB 3.26Å; F731-L735 PolarHBondContact O-N 3.35Å |
| 732 | I | 87.8 | Confident | 76.7 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 177.2 | -71.3 | -159.2 | 0 | 0 | 0 | 111 | I700 H714 G728 V729 E734 L735 I736 | I700-I732 HydrophobicContact CD1-CG1 3.96Å; I700-I732 HydrophobicContact CG1-CD1 4.44Å; I700-I732 HydrophobicContact CG1-CG1 4.36Å; H714-I732 HydrophobicContact CB-CD1 3.52Å; H714-I732 HydrophobicContact CB-CG1 4.36Å; G728-I732 PolarHBondContact O-N 2.85Å; V729-I732 PolarHBondContact O-N 2.82Å; I732-E734 VanDerWaalsContact C-N 3.35Å; I732-E734 PolarHBondContact O-N 3.24Å; I732-L735 PolarHBondContact O-N 2.84Å; I732-I736 HydrophobicContact CG2-CD1 3.69Å; I732-I736 HydrophobicContact CG2-CG1 4.25Å; I732-I736 WeakPolarHBondContact O-CB 3.19Å; I732-I736 VanDerWaalsContact O-CG1 3.28Å; I732-I736 WeakPolarHBondContact O-CG1 3.42Å; I732-I736 PolarHBondContact O-N 2.76Å |
| 733 | Q | 81.9 | Confident | 74.8 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 174.1 | -172.4 | 61.3 | 60.1 | 0 | 0 | 111.9 | V729 I730 F731 N737 | V729-Q733 WeakPolarHBondContact O-CB 3.2Å; V729-Q733 PolarHBondContact O-N 2.92Å; I730-Q733 PolarHBondContact O-N 3.46Å; F731-Q733 VanDerWaalsContact C-N 3.34Å; F731-Q733 PolarHBondContact O-N 2.82Å; Q733-N737 PolarHBondContact NE2-OD1 2.78Å; Q733-N737 WeakPolarHBondContact O-CB 3.23Å; Q733-N737 PolarHBondContact O-N 2.87Å; Q733-N737 PolarHBondContact O-ND2 2.66Å; Q733-N737 PolarHBondContact O-OD1 2.87Å |
| 734 | E | 82.7 | Confident | 72.5 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 173.9 | -166 | -172.5 | -170.2 | 0 | 0 | 110.9 | I677 R680 A681 I730 F731 I732 N737 L738 | I677-E734 VanDerWaalsContact CD1-OE2 3.29Å; I677-E734 WeakPolarHBondContact CD1-OE2 3.38Å; R680-E734 VanDerWaalsContact CA-OE2 3.24Å; R680-E734 WeakPolarHBondContact CA-OE2 3.07Å; R680-E734 VanDerWaalsContact CB-OE2 3.28Å; R680-E734 WeakPolarHBondContact CB-OE2 3.5Å; A681-E734 HydrophobicContact CB-CB 3.82Å; A681-E734 HydrophobicContact CB-CG 3.95Å; A681-E734 PolarHBondContact N-OE2 2.61Å; I730-E734 VanDerWaalsContact O-CB 3.31Å; I730-E734 WeakPolarHBondContact O-CB 3.48Å; I730-E734 PolarHBondContact O-N 3Å; F731-E734 PolarHBondContact O-N 2.04Å; I732-E734 VanDerWaalsContact C-N 3.35Å; I732-E734 PolarHBondContact O-N 3.24Å; E734-N737 CarbonylContact O-C 3.58Å; E734-N737 PolarHBondContact O-N 2.78Å; E734-L738 HydrophobicContact CG-CD1 3.99Å; E734-L738 HydrophobicContact CG-CG 4.42Å; E734-L738 VanDerWaalsContact O-CB 3.22Å; E734-L738 WeakPolarHBondContact O-CB 3.15Å; E734-L738 WeakPolarHBondContact O-CD1 3.39Å; E734-L738 WeakPolarHBondContact O-CG 3.41Å; E734-L738 PolarHBondContact O-N 2.86Å |
| 735 | L | 82.7 | Confident | 70 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 175.5 | -167.9 | 85.5 | 0 | 0 | 0 | 111.8 | A681 L712 F731 I732 L738 A739 | A681-L735 HydrophobicContact CB-CB 3.86Å; A681-L735 HydrophobicContact CB-CD1 4.05Å; L712-L735 HydrophobicContact CD1-CD2 3.49Å; L712-L735 VanDerWaalsContact CD1-CD2 3.49Å; F731-L735 HydrophobicContact CE1-CB 4.34Å; F731-L735 HydrophobicContact CE1-CD1 4.22Å; F731-L735 HydrophobicContact CZ-CD1 4.43Å; F731-L735 WeakPolarHBondContact O-CB 3.26Å; F731-L735 PolarHBondContact O-N 3.35Å; I732-L735 PolarHBondContact O-N 2.84Å; L735-L738 CarbonylContact O-C 3.54Å; L735-L738 PolarHBondContact O-N 2.22Å; L735-A739 WeakPolarHBondContact O-CB 3.48Å; L735-A739 PolarHBondContact O-N 2.19Å |
| 736 | I | 76.4 | Confident | 67.6 | Low | 78 Ų | 78 | 61 Ų | 61 | 40% | 0.4 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 172.7 | -69.7 | 167.4 | 0 | 0 | 0 | 109.7 | I732 L738 A739 N740 | I732-I736 HydrophobicContact CG2-CD1 3.69Å; I732-I736 HydrophobicContact CG2-CG1 4.25Å; I732-I736 WeakPolarHBondContact O-CB 3.19Å; I732-I736 VanDerWaalsContact O-CG1 3.28Å; I732-I736 WeakPolarHBondContact O-CG1 3.42Å; I732-I736 PolarHBondContact O-N 2.76Å; I736-L738 VanDerWaalsContact C-N 3.26Å; I736-L738 PolarHBondContact O-N 2.23Å; I736-A739 PolarHBondContact O-N 3.05Å; I736-A739 VanDerWaalsContact O-N 3.16Å; I736-N740 WeakPolarHBondContact O-CB 3.43Å; I736-N740 VanDerWaalsContact O-CG 3.22Å; I736-N740 PolarHBondContact O-N 3.17Å; I736-N740 PolarHBondContact O-ND2 2.81Å |
| 737 | N | 70.3 | Confident | 65.3 | Low | 55 Ų | 55 | 61.8 Ų | 61.8 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 174.2 | -72.4 | -10.8 | 0 | 0 | 0 | 111.2 | Q733 E734 Q741 | Q733-N737 PolarHBondContact NE2-OD1 2.78Å; Q733-N737 WeakPolarHBondContact O-CB 3.23Å; Q733-N737 PolarHBondContact O-N 2.87Å; Q733-N737 PolarHBondContact O-ND2 2.66Å; Q733-N737 PolarHBondContact O-OD1 2.87Å; E734-N737 CarbonylContact O-C 3.58Å; E734-N737 PolarHBondContact O-N 2.78Å; N737-Q741 WeakPolarHBondContact O-CA 3.33Å; N737-Q741 WeakPolarHBondContact O-CB 3.36Å; N737-Q741 WeakPolarHBondContact O-CG 3.09Å; N737-Q741 PolarHBondContact O-N 2.8Å |
| 738 | L | 69.5 | Low | 62.9 | Low | 21 Ų | 21 | 67.7 Ų | 67.7 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78.9 | -24.5 | 175.2 | -74.4 | 165.8 | 0 | 0 | 0 | 112.9 | A681 I682 E734 L735 I736 K742 | A681-L738 HydrophobicContact CB-CD1 3.74Å; I682-L738 HydrophobicContact CB-CD1 3.76Å; I682-L738 HydrophobicContact CB-CD2 4.36Å; I682-L738 HydrophobicContact CD1-CD2 4.36Å; I682-L738 HydrophobicContact CG1-CD2 4.43Å; E734-L738 HydrophobicContact CG-CD1 3.99Å; E734-L738 HydrophobicContact CG-CG 4.42Å; E734-L738 VanDerWaalsContact O-CB 3.22Å; E734-L738 WeakPolarHBondContact O-CB 3.15Å; E734-L738 WeakPolarHBondContact O-CD1 3.39Å; E734-L738 WeakPolarHBondContact O-CG 3.41Å; E734-L738 PolarHBondContact O-N 2.86Å; L735-L738 CarbonylContact O-C 3.54Å; L735-L738 PolarHBondContact O-N 2.22Å; I736-L738 VanDerWaalsContact C-N 3.26Å; I736-L738 PolarHBondContact O-N 2.23Å; L738-K742 WeakPolarHBondContact O-CA 3.28Å; L738-K742 WeakPolarHBondContact O-CB 3.35Å; L738-K742 WeakPolarHBondContact O-CG 3.42Å; L738-K742 PolarHBondContact O-N 2.75Å |
| 739 | A | 64.3 | Low | 60.6 | Low | 48 Ų | 48 | 72.8 Ų | 72.8 | 40% | 0.397 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71 | -46.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | L735 I736 K742 Q743 | L735-A739 WeakPolarHBondContact O-CB 3.48Å; L735-A739 PolarHBondContact O-N 2.19Å; I736-A739 PolarHBondContact O-N 3.05Å; I736-A739 VanDerWaalsContact O-N 3.16Å; A739-K742 CarbonylContact O-C 3.5Å; A739-K742 PolarHBondContact O-N 2.88Å; A739-Q743 PolarHBondContact O-N 2.99Å |
| 740 | N | 58.1 | Low | 59.2 | Low | 83 Ų | 83 | 70 Ų | 70 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 176.4 | -63.7 | -16 | 0 | 0 | 0 | 112.2 | I736 Q743 S744 | I736-N740 WeakPolarHBondContact O-CB 3.43Å; I736-N740 VanDerWaalsContact O-CG 3.22Å; I736-N740 PolarHBondContact O-N 3.17Å; I736-N740 PolarHBondContact O-ND2 2.81Å; N740-Q743 CarbonylContact O-C 3.55Å; N740-Q743 PolarHBondContact O-N 3.01Å; N740-S744 PolarHBondContact O-N 2.76Å; N740-S744 VanDerWaalsContact O-N 3.13Å; N740-S744 PolarHBondContact O-OG 2.96Å |
| 741 | Q | 47.7 | Very low | 58.2 | Low | 70 Ų | 70 | 73.1 Ų | 73.1 | 33% | 0.327 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72 | -31.5 | 171.8 | -73 | 175.1 | 18 | 0 | 0 | 111.3 | N737 S744 L745 | N737-Q741 WeakPolarHBondContact O-CA 3.33Å; N737-Q741 WeakPolarHBondContact O-CB 3.36Å; N737-Q741 WeakPolarHBondContact O-CG 3.09Å; N737-Q741 PolarHBondContact O-N 2.8Å; Q741-S744 WeakPolarHBondContact CA-OG 3.35Å; Q741-S744 CarbonylContact O-C 3.53Å; Q741-S744 WeakPolarHBondContact O-CA 3.34Å; Q741-S744 PolarHBondContact O-N 2.69Å; Q741-S744 PolarHBondContact O-OG 3.43Å; Q741-L745 HydrophobicContact CB-CD1 4.22Å; Q741-L745 WeakPolarHBondContact O-CB 3.24Å; Q741-L745 VanDerWaalsContact O-CG 3.24Å; Q741-L745 WeakPolarHBondContact O-CG 3.13Å; Q741-L745 PolarHBondContact O-N 3.32Å |
| 742 | K | 41.9 | Very low | 57.5 | Low | 124 Ų | 124 | 75.9 Ų | 75.9 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.5 | -33.8 | 167.6 | -76.8 | 174.5 | 179 | 178 | 0 | 111.6 | L738 A739 S744 L745 V746 | L738-K742 WeakPolarHBondContact O-CA 3.28Å; L738-K742 WeakPolarHBondContact O-CB 3.35Å; L738-K742 WeakPolarHBondContact O-CG 3.42Å; L738-K742 PolarHBondContact O-N 2.75Å; A739-K742 CarbonylContact O-C 3.5Å; A739-K742 PolarHBondContact O-N 2.88Å; K742-S744 PolarHBondContact O-N 3.07Å; K742-L745 PolarHBondContact O-N 3.32Å; K742-L745 VanDerWaalsContact O-N 3.08Å; K742-V746 HydrophobicContact CB-CG2 4.12Å; K742-V746 WeakPolarHBondContact O-CA 3.43Å; K742-V746 WeakPolarHBondContact O-CB 3.03Å; K742-V746 VanDerWaalsContact O-CG2 3.26Å; K742-V746 WeakPolarHBondContact O-CG2 3.39Å; K742-V746 PolarHBondContact O-N 3.33Å |
| 743 | Q | 40.5 | Very low | 57.6 | Low | 153 Ų | 153 | 75.5 Ų | 75.5 | 72% | 0.715 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 2.9 | 164.3 | -72.5 | 175.1 | -64.8 | 0 | 0 | 113.3 | A739 N740 | A739-Q743 PolarHBondContact O-N 2.99Å; N740-Q743 CarbonylContact O-C 3.55Å; N740-Q743 PolarHBondContact O-N 3.01Å |
| 744 | S | 31.3 | Very low | 58.2 | Low | 40 Ų | 40 | 73 Ų | 73 | 28% | 0.28 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 19.3 | 165.2 | 47.1 | 0 | 0 | 0 | 0 | 114.6 | N740 Q741 K742 | N740-S744 PolarHBondContact O-N 2.76Å; N740-S744 VanDerWaalsContact O-N 3.13Å; N740-S744 PolarHBondContact O-OG 2.96Å; Q741-S744 WeakPolarHBondContact CA-OG 3.35Å; Q741-S744 CarbonylContact O-C 3.53Å; Q741-S744 WeakPolarHBondContact O-CA 3.34Å; Q741-S744 PolarHBondContact O-N 2.69Å; Q741-S744 PolarHBondContact O-OG 3.43Å; K742-S744 PolarHBondContact O-N 3.07Å |
| 745 | L | 31.9 | Very low | 58.8 | Low | 99 Ų | 99 | 71.2 Ų | 71.2 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -19.9 | 176.4 | -76.7 | 166.3 | 0 | 0 | 0 | 113 | Q741 K742 L748 | Q741-L745 HydrophobicContact CB-CD1 4.22Å; Q741-L745 WeakPolarHBondContact O-CB 3.24Å; Q741-L745 VanDerWaalsContact O-CG 3.24Å; Q741-L745 WeakPolarHBondContact O-CG 3.13Å; Q741-L745 PolarHBondContact O-N 3.32Å; K742-L745 PolarHBondContact O-N 3.32Å; K742-L745 VanDerWaalsContact O-N 3.08Å; L745-L748 WeakPolarHBondContact O-CB 3.16Å; L745-L748 WeakPolarHBondContact O-CG 3.39Å; L745-L748 PolarHBondContact O-N 3.36Å |
| 746 | V | 33.9 | Very low | 59.5 | Low | 81 Ų | 81 | 69 Ų | 69 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3 | 148.5 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | K742 L748 V750 | K742-V746 HydrophobicContact CB-CG2 4.12Å; K742-V746 WeakPolarHBondContact O-CA 3.43Å; K742-V746 WeakPolarHBondContact O-CB 3.03Å; K742-V746 VanDerWaalsContact O-CG2 3.26Å; K742-V746 WeakPolarHBondContact O-CG2 3.39Å; K742-V746 PolarHBondContact O-N 3.33Å; V746-L748 CarbonylContact C-O 3.52Å; V746-V750 HydrophobicContact CG1-CG2 3.6Å |
| 747 | D | 34.3 | Very low | 60.3 | Low | 91 Ų | 91 | 65.5 Ų | 65.5 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 3.2 | 155 | -114.3 | 15.7 | 0 | 0 | 0 | 112.5 | K668 P749 | K668-D747 WeakPolarHBondContact CE-OD2 3.07Å; K668-D747 IonicContact NZ-OD2 2.84Å; K668-D747 PolarHBondContact NZ-OD2 3.44Å; D747-P749 WeakPolarHBondContact O-CD 3.46Å |
| 748 | L | 34.9 | Very low | 61.3 | Low | 130 Ų | 130 | 62.9 Ų | 62.9 | 68% | 0.681 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 112.3 | 140.9 | -82.2 | 170.1 | 0 | 0 | 0 | 104.8 | L745 V746 V750 | L745-L748 WeakPolarHBondContact O-CB 3.16Å; L745-L748 WeakPolarHBondContact O-CG 3.39Å; L745-L748 PolarHBondContact O-N 3.36Å; V746-L748 CarbonylContact C-O 3.52Å; L748-V750 PolarHBondContact O-N 3.16Å |
| 749 | P | 41.8 | Very low | 62.2 | Low | 107 Ų | 107 | 62.2 Ų | 62.2 | 70% | 0.695 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 112.1 | -170.1 | 21.8 | -33 | 0 | 0 | 0 | 108.8 | D747 Q751 | D747-P749 WeakPolarHBondContact O-CD 3.46Å; P749-Q751 WeakPolarHBondContact O-CA 3.31Å; P749-Q751 WeakPolarHBondContact O-CG 3.29Å; P749-Q751 PolarHBondContact O-N 3.25Å |
| 750 | V | 54.7 | Low | 62.8 | Low | 24 Ų | 24 | 62.6 Ų | 62.6 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | trans | -62.2 | 89.1 | -177.4 | 172.9 | 0 | 0 | 0 | 0 | 106.8 | V746 L748 N752 P772 L931 | V746-V750 HydrophobicContact CG1-CG2 3.6Å; L748-V750 PolarHBondContact O-N 3.16Å; V750-N752 PolarHBondContact O-N 3.26Å; V750-N752 PolarHBondContact O-OD1 3.45Å; V750-P772 VanDerWaalsContact CG1-CD 3.47Å; V750-P772 HydrophobicContact CG1-CG 3.49Å; V750-P772 VanDerWaalsContact CG1-CG 3.49Å; V750-L931 HydrophobicContact CG1-CB 4.27Å | ||
| 751 | Q | 64.6 | Low | 63.9 | Low | 117 Ų | 117 | 62.2 Ų | 62.2 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | trans | -58.2 | 107.5 | -160.1 | -73.2 | -173.3 | -20.8 | 0 | 0 | 110.2 | P749 R753 | P749-Q751 WeakPolarHBondContact O-CA 3.31Å; P749-Q751 WeakPolarHBondContact O-CG 3.29Å; P749-Q751 PolarHBondContact O-N 3.25Å; Q751-R753 VanDerWaalsContact CB-NH1 3.27Å; Q751-R753 PolarHBondContact O-N 3.1Å; Q751-R753 PolarHBondContact O-NH1 3.43Å; Q751-R753 VanDerWaalsContact OE1-NH2 3.11Å | ||
| 752 | N | 76.9 | Confident | 65.7 | Low | 57 Ų | 57 | 59 Ų | 59 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | trans | -48.4 | 125.8 | 179.6 | -56.4 | 39.5 | 0 | 0 | 0 | 108.3 | V750 Y754 L931 | V750-N752 PolarHBondContact O-N 3.26Å; V750-N752 PolarHBondContact O-OD1 3.45Å; N752-Y754 HydrophobicContact CB-CE1 4.1Å; N752-Y754 HydrophobicContact CB-CE2 4.23Å; N752-L931 HydrophobicContact CB-CD1 4.12Å; N752-L931 VanDerWaalsContact CG-CD1 3.43Å; N752-L931 VanDerWaalsContact ND2-CD1 3.35Å; N752-L931 WeakPolarHBondContact ND2-CD1 3.43Å | ||
| 753 | R | 90.4 | Very high | 67.7 | Low | 26 Ų | 26 | 53.6 Ų | 53.6 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 155.9 | 161.3 | -52.5 | -52.8 | 174.3 | -145.4 | -2 | 107 | Q751 A770 P772 V950 T980 | Q751-R753 VanDerWaalsContact CB-NH1 3.27Å; Q751-R753 PolarHBondContact O-N 3.1Å; Q751-R753 PolarHBondContact O-NH1 3.43Å; Q751-R753 VanDerWaalsContact OE1-NH2 3.11Å; R753-A770 HydrophobicContact CB-CB 4.45Å; R753-A770 PolarHBondContact N-O 2.94Å; R753-A770 WeakPolarHBondContact O-CA 3.28Å; R753-A770 WeakPolarHBondContact O-CB 3.24Å; R753-A770 PolarHBondContact O-N 3.37Å; R753-P772 HydrophobicContact CG-CB 3.84Å; R753-V950 HydrophobicContact CB-CB 4.42Å; R753-V950 HydrophobicContact CB-CG1 3.49Å; R753-V950 VanDerWaalsContact CB-CG1 3.49Å; R753-V950 HydrophobicContact CG-CG1 3.99Å; R753-T980 WeakPolarHBondContact CA-O 3.35Å |
| 754 | Y | 93.7 | Very high | 69.7 | Low | 44 Ų | 44 | 46.3 Ų | 46.3 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.2 | 179.9 | -58.6 | -79.3 | 0 | 0 | 0 | 110.2 | N752 K767 F768 L979 T980 | N752-Y754 HydrophobicContact CB-CE1 4.1Å; N752-Y754 HydrophobicContact CB-CE2 4.23Å; Y754-K767 HydrophobicContact CD1-CD 4.12Å; Y754-K767 HydrophobicContact CE1-CD 4.47Å; Y754-F768 WeakPolarHBondContact CA-O 3.36Å; Y754-L979 WeakPolarHBondContact O-CA 3.42Å; Y754-T980 HydrophobicContact CD2-CG2 4.34Å; Y754-T980 PolarHBondContact N-O 2.94Å; Y754-T980 PolarHBondContact O-N 2.94Å; Y754-T980 VanDerWaalsContact O-N 3.1Å |
| 755 | V | 96.3 | Very high | 72.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 104.4 | 163.1 | -174.7 | 0 | 0 | 0 | 0 | 106.2 | K767 F768 A770 I916 V950 L952 L960 V977 L979 | V755-K767 CarbonylContact O-C 3.15Å; V755-K767 WeakPolarHBondContact O-CA 3.3Å; V755-F768 HydrophobicContact CB-CB 4.41Å; V755-F768 HydrophobicContact CB-CD2 4.34Å; V755-F768 HydrophobicContact CG1-CD2 4.49Å; V755-F768 PolarHBondContact N-O 2.98Å; V755-F768 PolarHBondContact O-N 2.83Å; V755-A770 HydrophobicContact CG2-CB 4.37Å; V755-I916 HydrophobicContact CG1-CD1 4.01Å; V755-I916 HydrophobicContact CG2-CD1 4.28Å; V755-I916 HydrophobicContact CG2-CG1 4.48Å; V755-V950 HydrophobicContact CG2-CG2 3.93Å; V755-L952 HydrophobicContact CG2-CD1 4.22Å; V755-L952 HydrophobicContact CG2-CD2 4.03Å; V755-L952 HydrophobicContact CG2-CG 4.25Å; V755-L960 HydrophobicContact CG1-CD2 4.28Å; V755-V977 HydrophobicContact CG1-CB 4.01Å; V755-V977 HydrophobicContact CG1-CG1 4.17Å; V755-V977 HydrophobicContact CG1-CG2 4.03Å; V755-L979 HydrophobicContact CB-CD2 4.41Å; V755-L979 HydrophobicContact CG1-CD2 4.32Å; V755-L979 HydrophobicContact CG2-CD2 3.8Å |
| 756 | V | 95.6 | Very high | 74.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129 | -175.8 | -172.3 | 0 | 0 | 0 | 0 | 109 | I758 G764 K767 V977 M978 T980 Y983 | V756-I758 HydrophobicContact CB-CD1 4.38Å; V756-I758 HydrophobicContact CG1-CD1 4.06Å; V756-G764 WeakPolarHBondContact CG1-O 3.17Å; V756-K767 HydrophobicContact CG1-CB 4.49Å; V756-K767 HydrophobicContact CG2-CB 4.1Å; V756-V977 CarbonylContact O-C 3.52Å; V756-V977 WeakPolarHBondContact O-CA 3.25Å; V756-V977 WeakPolarHBondContact O-CB 3.49Å; V756-M978 HydrophobicContact CB-CB 4.29Å; V756-M978 HydrophobicContact CB-CE 4.28Å; V756-M978 HydrophobicContact CG2-CE 4.16Å; V756-M978 PolarHBondContact N-O 2.97Å; V756-M978 PolarHBondContact O-N 3.15Å; V756-T980 HydrophobicContact CG2-CG2 4.05Å; V756-Y983 HydrophobicContact CG1-CD2 4.47Å; V756-Y983 HydrophobicContact CG1-CE2 4.07Å; V756-Y983 HydrophobicContact CG2-CD2 3.81Å; V756-Y983 HydrophobicContact CG2-CE2 4.24Å |
| 757 | V | 94.2 | Very high | 77.7 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.7 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | S762 G764 I766 F768 L963 L975 | V757-S762 WeakPolarHBondContact O-CB 3.48Å; V757-S762 PolarHBondContact O-OG 3.03Å; V757-G764 VanDerWaalsContact O-CA 3.28Å; V757-G764 WeakPolarHBondContact O-CA 3.45Å; V757-G764 PolarHBondContact O-N 2.75Å; V757-G764 VanDerWaalsContact O-N 3.11Å; V757-I766 HydrophobicContact CB-CB 4.28Å; V757-I766 HydrophobicContact CG2-CB 4.46Å; V757-I766 HydrophobicContact CG2-CG2 4.27Å; V757-I766 PolarHBondContact N-O 2.71Å; V757-F768 HydrophobicContact CG2-CE2 3.86Å; V757-L963 HydrophobicContact CG2-CD1 3.99Å; V757-L975 HydrophobicContact CG1-CD1 3.82Å; V757-L975 HydrophobicContact CG1-CD2 4.05Å; V757-L975 HydrophobicContact CG1-CG 4.21Å |
| 758 | I | 90.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -95.9 | -34.7 | -169 | -61.8 | -60.3 | 0 | 0 | 0 | 112.5 | V756 Y763 V831 N976 M978 A992 I995 | V756-I758 HydrophobicContact CB-CD1 4.38Å; V756-I758 HydrophobicContact CG1-CD1 4.06Å; I758-Y763 WeakPolarHBondContact O-CA 3.3Å; I758-V831 HydrophobicContact CG1-CG1 4.42Å; I758-N976 PolarHBondContact N-O 3.31Å; I758-N976 VanDerWaalsContact N-O 3.09Å; I758-M978 HydrophobicContact CD1-CB 3.66Å; I758-M978 HydrophobicContact CD1-CE 4.31Å; I758-M978 HydrophobicContact CD1-SD 4.48Å; I758-M978 HydrophobicContact CG1-CB 3.7Å; I758-A992 VanDerWaalsContact CG2-CA 3.45Å; I758-A992 HydrophobicContact CG2-CB 3.9Å; I758-A992 VanDerWaalsContact O-CB 3.27Å; I758-A992 WeakPolarHBondContact O-CB 3.21Å; I758-I995 HydrophobicContact CB-CD1 4.43Å; I758-I995 HydrophobicContact CG2-CD1 3.72Å; I758-I995 HydrophobicContact CG2-CG1 4.43Å | ||
| 759 | D | 88.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -65.9 | 156.2 | -178.5 | -73.8 | -52.1 | 0 | 0 | 0 | 113.7 | S762 Y763 H967 L975 N976 | D759-S762 WeakPolarHBondContact O-CA 3.26Å; D759-S762 VanDerWaalsContact O-CB 3.27Å; D759-S762 WeakPolarHBondContact O-CB 3.43Å; D759-S762 PolarHBondContact O-N 3.18Å; D759-Y763 PolarHBondContact O-N 3.27Å; D759-H967 IonicContact OD2-CE1 3.98Å; D759-H967 IonicContact OD2-NE2 3.66Å; D759-L975 HydrophobicContact CB-CD1 4.1Å; D759-N976 PolarHBondContact OD1-ND2 2.9Å; D759-N976 VanDerWaalsContact OD2-CB 3.27Å; D759-N976 WeakPolarHBondContact OD2-CB 3.36Å; D759-N976 PolarHBondContact OD2-N 2.86Å; D759-N976 PolarHBondContact OD2-ND2 2.85Å |
| 760 | P | 76.9 | Confident | 85.7 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 36% | 0.357 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 145.6 | 167.8 | -22.5 | 33.4 | 0 | 0 | 0 | 112.1 | S762 Y763 | P760-S762 VanDerWaalsContact C-N 3.34Å; P760-Y763 HydrophobicContact CB-CE1 4.2Å; P760-Y763 HydrophobicContact CB-CE2 4.15Å; P760-Y763 HydrophobicContact CG-CD1 4.35Å; P760-Y763 HydrophobicContact CG-CE1 3.74Å |
| 761 | P | 80.3 | Confident | 87.3 | Confident | 76 Ų | 76 | 30.3 Ų | 30.3 | 49% | 0.494 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -83.2 | 3.3 | 1.3 | 35.3 | -37 | 0 | 0 | 0 | 114.2 | Y763 Q1022 | P761-Y763 WeakPolarHBondContact O-CD2 3.43Å; P761-Q1022 PolarHBondContact O-NE2 3.32Å |
| 762 | S | 85.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -43 | -176.3 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | V757 D759 P760 G764 F765 I766 | V757-S762 WeakPolarHBondContact O-CB 3.48Å; V757-S762 PolarHBondContact O-OG 3.03Å; D759-S762 WeakPolarHBondContact O-CA 3.26Å; D759-S762 VanDerWaalsContact O-CB 3.27Å; D759-S762 WeakPolarHBondContact O-CB 3.43Å; D759-S762 PolarHBondContact O-N 3.18Å; P760-S762 VanDerWaalsContact C-N 3.34Å; S762-G764 PolarHBondContact O-N 2.82Å; S762-F765 WeakPolarHBondContact O-CB 3Å; S762-F765 WeakPolarHBondContact O-CD2 3.4Å; S762-F765 PolarHBondContact O-N 3.01Å; S762-F765 PolarHBondContact OG-N 2.73Å; S762-I766 VanDerWaalsContact OG-CB 3.31Å; S762-I766 WeakPolarHBondContact OG-CB 3.42Å; S762-I766 PolarHBondContact OG-N 2.71Å |
| 763 | Y | 83.9 | Confident | 89 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 24.3 | -174.7 | -63.3 | -77.1 | 0 | 0 | 0 | 114.7 | I758 D759 P760 P761 F989 A992 L1015 | I758-Y763 WeakPolarHBondContact O-CA 3.3Å; D759-Y763 PolarHBondContact O-N 3.27Å; P760-Y763 HydrophobicContact CB-CE1 4.2Å; P760-Y763 HydrophobicContact CB-CE2 4.15Å; P760-Y763 HydrophobicContact CG-CD1 4.35Å; P760-Y763 HydrophobicContact CG-CE1 3.74Å; P761-Y763 WeakPolarHBondContact O-CD2 3.43Å; Y763-F989 WeakPolarHBondContact O-CA 3.05Å; Y763-A992 HydrophobicContact CD1-CB 4.29Å; Y763-L1015 HydrophobicContact CE1-CD1 4.2Å |
| 764 | G | 84 | Confident | 88.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -1.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V756 V757 S762 Y983 | V756-G764 WeakPolarHBondContact CG1-O 3.17Å; V757-G764 VanDerWaalsContact O-CA 3.28Å; V757-G764 WeakPolarHBondContact O-CA 3.45Å; V757-G764 PolarHBondContact O-N 2.75Å; V757-G764 VanDerWaalsContact O-N 3.11Å; S762-G764 PolarHBondContact O-N 2.82Å; G764-Y983 WeakPolarHBondContact O-CE2 2.96Å; G764-Y983 PolarHBondContact O-OH 3.31Å |
| 765 | F | 82.2 | Confident | 88.1 | Confident | 45 Ų | 45 | 28 Ų | 28 | 20% | 0.197 | 15% | 0.149 | C | C | . | . | trans | -81.3 | -29.9 | -178.8 | -63.1 | -63.8 | 0 | 0 | 0 | 114.2 | S762 V985 F989 L1019 I1029 I1032 | S762-F765 WeakPolarHBondContact O-CB 3Å; S762-F765 WeakPolarHBondContact O-CD2 3.4Å; S762-F765 PolarHBondContact O-N 3.01Å; S762-F765 PolarHBondContact OG-N 2.73Å; F765-V985 HydrophobicContact CD1-CG1 3.77Å; F765-V985 HydrophobicContact CE1-CG1 3.51Å; F765-F989 HydrophobicContact CE2-CD2 4.47Å; F765-F989 HydrophobicContact CZ-CD2 4.4Å; F765-L1019 HydrophobicContact CE2-CD2 3.95Å; F765-L1019 HydrophobicContact CZ-CD2 4.45Å; F765-I1029 HydrophobicContact CE1-CG1 4.14Å; F765-I1029 HydrophobicContact CE2-CD1 4.47Å; F765-I1029 HydrophobicContact CZ-CD1 4.48Å; F765-I1029 HydrophobicContact CZ-CG1 4.24Å; F765-I1032 HydrophobicContact CE1-CD1 4.33Å | ||
| 766 | I | 88.5 | Confident | 87.5 | Confident | 66 Ų | 66 | 29 Ų | 29 | 34% | 0.338 | 16% | 0.159 | S | C | . | . | trans | -82.3 | 125.3 | 174.7 | -54.9 | 176.2 | 0 | 0 | 0 | 109.2 | V757 S762 F768 L963 | V757-I766 HydrophobicContact CB-CB 4.28Å; V757-I766 HydrophobicContact CG2-CB 4.46Å; V757-I766 HydrophobicContact CG2-CG2 4.27Å; V757-I766 PolarHBondContact N-O 2.71Å; S762-I766 VanDerWaalsContact OG-CB 3.31Å; S762-I766 WeakPolarHBondContact OG-CB 3.42Å; S762-I766 PolarHBondContact OG-N 2.71Å; I766-F768 HydrophobicContact CG2-CE1 4.47Å; I766-F768 HydrophobicContact CG2-CZ 4.05Å; I766-L963 HydrophobicContact CG2-CD1 4.19Å | ||
| 767 | K | 92.5 | Very high | 87 | Confident | 86 Ų | 86 | 30.4 Ų | 30.4 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.9 | 178.3 | 69.9 | 179.8 | -176.7 | 176.3 | 0 | 111.8 | Y754 V755 V756 Y983 | Y754-K767 HydrophobicContact CD1-CD 4.12Å; Y754-K767 HydrophobicContact CE1-CD 4.47Å; V755-K767 CarbonylContact O-C 3.15Å; V755-K767 WeakPolarHBondContact O-CA 3.3Å; V756-K767 HydrophobicContact CG1-CB 4.49Å; V756-K767 HydrophobicContact CG2-CB 4.1Å; K767-Y983 HydrophobicContact CB-CD2 4.33Å; K767-Y983 HydrophobicContact CB-CE2 4.28Å; K767-Y983 HydrophobicContact CD-CD1 3.64Å; K767-Y983 HydrophobicContact CD-CD2 3.6Å; K767-Y983 HydrophobicContact CD-CE1 3.79Å; K767-Y983 HydrophobicContact CD-CE2 3.81Å; K767-Y983 HydrophobicContact CD-CG 3.5Å |
| 768 | F | 94.3 | Very high | 86.8 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135 | 171.8 | -52.6 | -67.2 | 0 | 0 | 0 | 110.1 | Y754 V755 V757 I766 L952 E956 Q959 L960 L963 | Y754-F768 WeakPolarHBondContact CA-O 3.36Å; V755-F768 HydrophobicContact CB-CB 4.41Å; V755-F768 HydrophobicContact CB-CD2 4.34Å; V755-F768 HydrophobicContact CG1-CD2 4.49Å; V755-F768 PolarHBondContact N-O 2.98Å; V755-F768 PolarHBondContact O-N 2.83Å; V757-F768 HydrophobicContact CG2-CE2 3.86Å; I766-F768 HydrophobicContact CG2-CE1 4.47Å; I766-F768 HydrophobicContact CG2-CZ 4.05Å; F768-L952 HydrophobicContact CB-CD2 3.78Å; F768-E956 HydrophobicContact CB-CB 4.14Å; F768-E956 HydrophobicContact CB-CG 4.42Å; F768-E956 HydrophobicContact CD1-CB 4.15Å; F768-E956 HydrophobicContact CD1-CG 4.45Å; F768-E956 HydrophobicContact CG-CB 4.37Å; F768-Q959 HydrophobicContact CD1-CB 4.45Å; F768-Q959 HydrophobicContact CE1-CB 3.58Å; F768-Q959 VanDerWaalsContact CE1-OE1 3.26Å; F768-Q959 HydrophobicContact CZ-CB 4Å; F768-L960 HydrophobicContact CD2-CB 4.3Å; F768-L960 HydrophobicContact CE2-CB 3.9Å; F768-L960 HydrophobicContact CE2-CD1 4Å; F768-L960 HydrophobicContact CE2-CG 4.5Å; F768-L960 HydrophobicContact CZ-CB 4.37Å; F768-L963 HydrophobicContact CE2-CD1 4.3Å; F768-L963 HydrophobicContact CZ-CD1 3.83Å |
| 769 | S | 91.9 | Very high | 86.5 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 22% | 0.217 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.9 | 170.1 | -73 | 0 | 0 | 0 | 0 | 109.9 | ||
| 770 | A | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R753 V755 V950 L951 L952 | R753-A770 HydrophobicContact CB-CB 4.45Å; R753-A770 PolarHBondContact N-O 2.94Å; R753-A770 WeakPolarHBondContact O-CA 3.28Å; R753-A770 WeakPolarHBondContact O-CB 3.24Å; R753-A770 PolarHBondContact O-N 3.37Å; V755-A770 HydrophobicContact CG2-CB 4.37Å; A770-V950 HydrophobicContact CB-CB 3.89Å; A770-V950 HydrophobicContact CB-CG2 4.23Å; A770-L951 CarbonylContact C-O 3.56Å; A770-L951 VanDerWaalsContact CA-O 3.3Å; A770-L951 WeakPolarHBondContact CA-O 2.8Å; A770-L951 WeakPolarHBondContact CB-O 3.46Å; A770-L952 HydrophobicContact CB-CD2 3.75Å |
| 771 | C | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.2 | 170.1 | -75.1 | 0 | 0 | 0 | 0 | 110.5 | L931 F932 V950 L951 | C771-L931 VanDerWaalsContact SG-CD2 3.57Å; C771-F932 WeakPolarHBondContact CB-O 3.44Å; C771-F932 PolarHBondContact SG-N 2.77Å; C771-F932 VanDerWaalsContact SG-N 3.42Å; C771-F932 PolarHBondContact SG-O 2.95Å; C771-V950 CarbonylContact O-C 3.51Å; C771-V950 WeakPolarHBondContact O-CA 3.49Å; C771-L951 HydrophobicContact CB-CB 3.93Å; C771-L951 HydrophobicContact CB-CD2 4.02Å; C771-L951 WeakPolarHBondContact CB-O 3.47Å; C771-L951 PolarHBondContact N-O 2.95Å; C771-L951 PolarHBondContact O-N 2.86Å |
| 772 | P | 90.2 | Very high | 85.5 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 158.6 | 174.1 | 30.3 | -34.4 | 0 | 0 | 0 | 112.2 | V750 R753 A933 L934 | V750-P772 VanDerWaalsContact CG1-CD 3.47Å; V750-P772 HydrophobicContact CG1-CG 3.49Å; V750-P772 VanDerWaalsContact CG1-CG 3.49Å; R753-P772 HydrophobicContact CG-CB 3.84Å; P772-A933 HydrophobicContact CG-CB 4.26Å; P772-A933 CarbonylContact O-C 2.77Å; P772-A933 VanDerWaalsContact O-CA 3.31Å; P772-A933 WeakPolarHBondContact O-CA 3.25Å; P772-L934 PolarHBondContact O-N 3.09Å |
| 773 | A | 86.9 | Confident | 84.2 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -95.2 | 152.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F775 L934 I949 | A773-F775 VanDerWaalsContact C-N 3.31Å; A773-F775 HydrophobicContact CB-CD1 4.16Å; A773-F775 HydrophobicContact CB-CE1 4.08Å; A773-F775 HydrophobicContact CB-CZ 4.5Å; A773-F775 WeakPolarHBondContact CB-O 3.49Å; A773-L934 HydrophobicContact CB-CB 4.2Å; A773-L934 HydrophobicContact CB-CD1 4.14Å; A773-I949 HydrophobicContact CB-CB 3.79Å; A773-I949 HydrophobicContact CB-CG2 3.95Å |
| 774 | H | 80.3 | Confident | 82.2 | Confident | 154 Ų | 154 | 51.1 Ų | 51.1 | 71% | 0.713 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -84.3 | -5.4 | 165.5 | -73.5 | 168.7 | 0 | 0 | 0 | 113.4 | A933 L934 | H774-A933 WeakPolarHBondContact NE2-CB 3.35Å; H774-L934 PolarHBondContact N-O 2.8Å |
| 775 | F | 83.5 | Confident | 80 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -131.4 | 160 | -179.3 | 64.5 | -79.6 | 0 | 0 | 0 | 109.9 | A773 F900 V901 A904 L934 S935 N942 I945 I949 | A773-F775 VanDerWaalsContact C-N 3.31Å; A773-F775 HydrophobicContact CB-CD1 4.16Å; A773-F775 HydrophobicContact CB-CE1 4.08Å; A773-F775 HydrophobicContact CB-CZ 4.5Å; A773-F775 WeakPolarHBondContact CB-O 3.49Å; F775-F900 HydrophobicContact CE1-CB 4.16Å; F775-F900 HydrophobicContact CZ-CB 3.67Å; F775-V901 HydrophobicContact CD1-CG2 4.23Å; F775-V901 HydrophobicContact CD2-CG2 4.05Å; F775-V901 HydrophobicContact CE1-CG2 4.12Å; F775-V901 HydrophobicContact CE2-CB 4.33Å; F775-V901 HydrophobicContact CE2-CG2 3.92Å; F775-V901 HydrophobicContact CG-CG2 4.22Å; F775-V901 HydrophobicContact CZ-CG2 3.98Å; F775-A904 HydrophobicContact CE2-CB 4.04Å; F775-L934 HydrophobicContact CE1-CB 4.04Å; F775-S935 VanDerWaalsContact CE1-O 3.27Å; F775-S935 WeakPolarHBondContact CE1-O 3.2Å; F775-N942 WeakPolarHBondContact CB-OD1 3.27Å; F775-I945 HydrophobicContact CD2-CD1 3.96Å; F775-I945 HydrophobicContact CD2-CG2 4.36Å; F775-I945 HydrophobicContact CE2-CD1 4.24Å; F775-I949 HydrophobicContact CD2-CD1 3.65Å; F775-I949 HydrophobicContact CE2-CD1 3.31Å; F775-I949 HydrophobicContact CZ-CD1 4.12Å |
| 776 | G | 84.1 | Confident | 77.5 | Confident | 21 Ų | 21 | 58 Ų | 58 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 81.9 | 159.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I947 | G776-I947 CarbonylContact C-O 3.51Å; G776-I947 WeakPolarHBondContact CA-O 3.46Å |
| 777 | L | 85.5 | Confident | 74.6 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | trans | -134.5 | 145.8 | -168.4 | -64.4 | 173.5 | 0 | 0 | 0 | 110.5 | E781 L783 I947 P948 | L777-E781 HydrophobicContact CB-CB 4.35Å; L777-E781 HydrophobicContact CD2-CB 4.13Å; L777-L783 HydrophobicContact CD1-CG 4.19Å; L777-L783 HydrophobicContact CD2-CD2 4.32Å; L777-I947 PolarHBondContact N-O 3.32Å; L777-I947 VanDerWaalsContact N-O 3.13Å; L777-I947 CarbonylContact O-C 3.58Å; L777-P948 WeakPolarHBondContact O-CD 3.34Å; L777-P948 VanDerWaalsContact O-N 3.13Å | ||
| 778 | F | 89.7 | Confident | 71.5 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 5% | 0.053 | 39% | 0.385 | C | S | . | . | trans | -84.7 | 151.1 | 167.3 | -79.8 | -111.9 | 0 | 0 | 0 | 110.8 | G780 E781 W827 P948 L979 K981 | F778-G780 PolarHBondContact O-N 3.5Å; F778-G780 VanDerWaalsContact O-N 3.14Å; F778-E781 HydrophobicContact CB-CG 4.32Å; F778-E781 WeakPolarHBondContact CB-OE2 3.43Å; F778-E781 PolarHBondContact N-OE2 2.81Å; F778-E781 WeakPolarHBondContact O-CB 3.26Å; F778-E781 WeakPolarHBondContact O-CG 3.15Å; F778-E781 PolarHBondContact O-N 3Å; F778-W827 HydrophobicContact CB-CB 4.07Å; F778-W827 HydrophobicContact CD1-CE3 4.13Å; F778-P948 HydrophobicContact CD1-CB 4.38Å; F778-P948 HydrophobicContact CD1-CG 4.22Å; F778-P948 HydrophobicContact CD2-CB 4.08Å; F778-P948 HydrophobicContact CD2-CG 4.36Å; F778-P948 HydrophobicContact CE1-CB 4.15Å; F778-P948 HydrophobicContact CE1-CG 4.4Å; F778-P948 HydrophobicContact CE2-CB 3.85Å; F778-P948 HydrophobicContact CG-CB 4.36Å; F778-P948 HydrophobicContact CG-CG 4.21Å; F778-P948 HydrophobicContact CZ-CB 3.89Å; F778-L979 HydrophobicContact CE1-CB 4.32Å; F778-K981 HydrophobicContact CD1-CG 4.17Å; F778-K981 HydrophobicContact CD2-CD 4.2Å; F778-K981 HydrophobicContact CD2-CG 4Å; F778-K981 HydrophobicContact CE1-CG 4.06Å; F778-K981 HydrophobicContact CE2-CD 4.43Å; F778-K981 HydrophobicContact CE2-CG 3.87Å; F778-K981 HydrophobicContact CG-CD 4.43Å; F778-K981 HydrophobicContact CG-CG 4.13Å; F778-K981 HydrophobicContact CZ-CG 3.89Å | ||
| 779 | P | 85.3 | Confident | 68.2 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 37% | 0.37 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 120.7 | 177 | -29 | 34.9 | 0 | 0 | 0 | 112.7 | W827 K828 L830 | P779-W827 CarbonylContact O-C 3.58Å; P779-W827 WeakPolarHBondContact O-CA 3.44Å; P779-K828 WeakPolarHBondContact CD-O 3.37Å; P779-K828 PolarHBondContact O-N 3.02Å; P779-L830 HydrophobicContact CG-CD1 4.09Å |
| 780 | G | 78.6 | Confident | 65.1 | Low | 53 Ų | 53 | 80.5 Ų | 80.5 | 55% | 0.546 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.9 | -11.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F778 R826 | F778-G780 PolarHBondContact O-N 3.5Å; F778-G780 VanDerWaalsContact O-N 3.14Å; G780-R826 CarbonylContact C-O 2.89Å; G780-R826 WeakPolarHBondContact CA-O 3.04Å |
| 781 | E | 79.8 | Confident | 62 | Low | 51 Ų | 51 | 89.1 Ų | 89.1 | 24% | 0.238 | 50% | 0.496 | C | S | . | . | trans | -83.8 | 138.4 | 178.5 | -59.9 | -167.4 | 122.3 | 0 | 0 | 113 | L777 F778 W827 K981 | L777-E781 HydrophobicContact CB-CB 4.35Å; L777-E781 HydrophobicContact CD2-CB 4.13Å; F778-E781 HydrophobicContact CB-CG 4.32Å; F778-E781 WeakPolarHBondContact CB-OE2 3.43Å; F778-E781 PolarHBondContact N-OE2 2.81Å; F778-E781 WeakPolarHBondContact O-CB 3.26Å; F778-E781 WeakPolarHBondContact O-CG 3.15Å; F778-E781 PolarHBondContact O-N 3Å; E781-W827 HydrophobicContact CG-CB 3.58Å; E781-K981 IonicContact OE1-NZ 2.74Å; E781-K981 PolarHBondContact OE1-NZ 2.8Å; E781-K981 VanDerWaalsContact OE2-CE 3.32Å; E781-K981 WeakPolarHBondContact OE2-CE 3.33Å; E781-K981 IonicContact OE2-NZ 2.7Å; E781-K981 PolarHBondContact OE2-NZ 3.46Å | ||
| 782 | E | 66.7 | Low | 59 | Low | 161 Ų | 161 | 98.6 Ų | 98.6 | 75% | 0.752 | 54% | 0.54 | S | S | * | . | trans | -116.3 | 142 | 178.8 | -64.2 | -178.5 | 154.6 | 0 | 0 | 110.5 | I784 | E782-I784 PolarHBondContact O-N 3.23Š| ||
| 783 | L | 57 | Low | 56 | Low | 110 Ų | 110 | 104.3 Ų | 104.3 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 121.3 | 170 | -68.9 | 167.6 | 0 | 0 | 0 | 109.3 | L777 P785 | L777-L783 HydrophobicContact CD1-CG 4.19Å; L777-L783 HydrophobicContact CD2-CD2 4.32Å; L783-P785 VanDerWaalsContact O-CD 3.27Å; L783-P785 WeakPolarHBondContact O-CD 3.12Å |
| 784 | I | 43.3 | Very low | 53.3 | Low | 149 Ų | 149 | 112.2 Ų | 112.2 | 76% | 0.764 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 118.9 | 176.9 | -58.8 | 173.4 | 0 | 0 | 0 | 108.8 | E782 | E782-I784 PolarHBondContact O-N 3.23Š|
| 785 | P | 36.5 | Very low | 50.8 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 137.4 | 176.7 | -21.4 | 34.8 | 0 | 0 | 0 | 111.3 | L783 | L783-P785 VanDerWaalsContact O-CD 3.27Å; L783-P785 WeakPolarHBondContact O-CD 3.12Å |
| 786 | G | 30.6 | Very low | 48.2 | Very low | 70 Ų | 70 | 112.8 Ų | 112.8 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -66 | 157.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | G788 | G786-G788 PolarHBondContact O-N 3.21Å; G786-G788 VanDerWaalsContact O-N 3.12Å |
| 787 | K | 27.3 | Very low | 45.6 | Very low | 224 Ų | 224 | 118 Ų | 118 | 97% | 0.974 | 68% | 0.676 | S | S | * | * | trans | -62.2 | 113.2 | 160 | -80.9 | -176 | 173.3 | -179.1 | 0 | 107.7 | ||||
| 788 | G | 26.4 | Very low | 43.1 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | trans | -69.9 | 159.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G786 Q790 | G786-G788 PolarHBondContact O-N 3.21Å; G786-G788 VanDerWaalsContact O-N 3.12Å; G788-Q790 PolarHBondContact O-N 2.88Å | ||
| 789 | E | 25.6 | Very low | 40.4 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -47.8 | 117.6 | 164.2 | -56.7 | 153.7 | 122.4 | 0 | 0 | 111.6 | ||||
| 790 | Q | 27 | Very low | 37.7 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -168.5 | 152.5 | 155.8 | -113.3 | 152.6 | 80.2 | 0 | 0 | 111.2 | G788 | G788-Q790 PolarHBondContact O-N 2.88Š| ||
| 791 | Q | 26.6 | Very low | 35.5 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | 68.8 | 65.5 | 171.9 | -56.2 | 179.5 | 10.7 | 0 | 0 | 117.5 | ||||
| 792 | Q | 27.6 | Very low | 33.1 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -129 | 81.5 | 137 | -80.4 | -158.4 | 3.3 | 0 | 0 | 110.5 | ||||
| 793 | T | 28.4 | Very low | 31.3 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -153 | 147.2 | 164.6 | -25.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 794 | E | 29.6 | Very low | 29.8 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 65.3 | 98.4 | 172.1 | -53.8 | -169 | 169 | 0 | 0 | 117.2 | ||||
| 795 | A | 26.9 | Very low | 29.1 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 96% | 0.959 | 80% | 0.8 | S | S | * | * | trans | -74.6 | 128.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 796 | G | 28.9 | Very low | 28.7 | Very low | 63 Ų | 63 | 146.6 Ų | 146.6 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -144.5 | 28.3 | -159 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 797 | T | 30.9 | Very low | 28.6 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | 60.6 | 130.5 | 164.6 | 43.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 798 | K | 32.5 | Very low | 28.6 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 92.8 | 134.5 | 135.8 | -80.2 | 177.1 | 176.3 | -170.9 | 0 | 122.5 | ||||
| 799 | D | 32.2 | Very low | 28.6 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | trans | 51.6 | 106.8 | 139.3 | -47.2 | -23.6 | 0 | 0 | 0 | 118 | ||||
| 800 | S | 30.3 | Very low | 28.9 | Very low | 94 Ų | 94 | 152.1 Ų | 152.1 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | cis | 113.7 | 146.4 | 33.6 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 801 | N | 31.2 | Very low | 28.8 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | 84.7 | 122 | 169.5 | -49 | -54.8 | 0 | 0 | 0 | 119.7 | ||||
| 802 | A | 29.3 | Very low | 28.8 | Very low | 86 Ų | 86 | 149.3 Ų | 149.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 54.4 | 130 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 803 | F | 29.1 | Very low | 28.8 | Very low | 202 Ų | 202 | 145 Ų | 145 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | -160.7 | 144.9 | 61.7 | -111 | -94.7 | 0 | 0 | 0 | 112.6 | |||||
| 804 | E | 26.5 | Very low | 28.8 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | trans | -79.3 | 165.4 | 155.6 | -73.3 | -175.3 | 110.9 | 0 | 0 | 111 | ||||
| 805 | N | 26.7 | Very low | 28.5 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | 75.7 | 62.3 | 169.8 | -56.4 | -66.2 | 0 | 0 | 0 | 117.8 | ||||
| 806 | Q | 28.7 | Very low | 28.6 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -158.6 | 139.4 | 146.4 | -104.5 | 154.9 | 80.1 | 0 | 0 | 108.4 | ||||
| 807 | A | 28.6 | Very low | 28.6 | Very low | 85 Ų | 85 | 148.4 Ų | 148.4 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | cis | -151.6 | 158.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 808 | K | 27.3 | Very low | 28.5 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -71.3 | 153.9 | 150.4 | -73.2 | 175.5 | 176.9 | 173.6 | 0 | 107.8 | ||
| 809 | Q | 26.9 | Very low | 28.2 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | 83.5 | 93.8 | -175.5 | -51.5 | 172 | -3.9 | 0 | 0 | 115.1 | ||||
| 810 | Q | 31 | Very low | 28.1 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | -160.4 | 88.4 | 127 | -107.6 | 166.1 | 32.1 | 0 | 0 | 109.6 | |||||
| 811 | Q | 25.7 | Very low | 28.2 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 171.1 | 157.6 | -77.3 | 177.2 | -60.8 | 0 | 0 | 109.3 | ||||
| 812 | S | 26.3 | Very low | 28.4 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | 59.3 | 87.2 | 167.9 | 64.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 813 | S | 27.2 | Very low | 28.8 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -171.1 | 79.5 | 133.1 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 814 | F | 29 | Very low | 29.5 | Very low | 219 Ų | 219 | 144 Ų | 144 | 96% | 0.961 | 81% | 0.81 | S | S | * | * | trans | -167.8 | 116.7 | 144.4 | -106.5 | -66.2 | 0 | 0 | 0 | 109.9 | ||||
| 815 | S | 23.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -155.8 | 101.4 | -171.5 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 816 | S | 28.1 | Very low | 33.1 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -172.9 | 129.7 | 161 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 817 | S | 29.3 | Very low | 35.8 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | 58.6 | 141.7 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 818 | S | 29.4 | Very low | 38.5 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -135.4 | 160.6 | -4.2 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | A820 | S818-A820 PolarHBondContact O-N 3.23Š| ||
| 819 | S | 25.5 | Very low | 41.5 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | trans | -83.2 | 110.6 | -178.6 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 820 | A | 31.3 | Very low | 44.7 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 69% | 0.686 | 67% | 0.674 | S | S | * | * | trans | -118.2 | 146 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S818 | S818-A820 PolarHBondContact O-N 3.23Š| ||
| 821 | N | 30.9 | Very low | 47.7 | Very low | 118 Ų | 118 | 114 Ų | 114 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | trans | -81.3 | 132.8 | -171.4 | -152.2 | 0.3 | 0 | 0 | 0 | 110 | N823 E824 | N821-N823 PolarHBondContact O-N 2.67Å; N821-E824 PolarHBondContact O-N 2.85Å | ||
| 822 | P | 35.9 | Very low | 50.8 | Low | 123 Ų | 123 | 105.4 Ų | 105.4 | 80% | 0.799 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -9.7 | -173.8 | -27.5 | 36.4 | 0 | 0 | 0 | 116.7 | ||
| 823 | N | 37.4 | Very low | 54.1 | Low | 151 Ų | 151 | 101.2 Ų | 101.2 | 81% | 0.807 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 7 | -176 | -63.2 | -5.5 | 0 | 0 | 0 | 113.7 | N821 | N821-N823 PolarHBondContact O-N 2.67Š|
| 824 | E | 44.5 | Very low | 57.4 | Low | 150 Ų | 150 | 96 Ų | 96 | 70% | 0.701 | 54% | 0.539 | S | S | * | . | trans | -85.5 | 116.8 | -176.1 | -165.4 | 163.2 | -163.7 | 0 | 0 | 111.7 | N821 R826 | N821-E824 PolarHBondContact O-N 2.85Å; E824-R826 PolarHBondContact O-N 2.62Å | ||
| 825 | R | 56.4 | Low | 60.5 | Low | 96 Ų | 96 | 87.7 Ų | 87.7 | 36% | 0.362 | 50% | 0.501 | S | S | . | . | trans | -60 | 120.6 | 176.8 | -79 | -174.4 | 175.7 | 150.2 | -5.8 | 109.9 | W827 E982 E987 | R825-W827 PolarHBondContact O-N 2.76Å; R825-E982 IonicContact CZ-OE2 3.71Å; R825-E982 IonicContact NE-OE2 3.14Å; R825-E982 PolarHBondContact NE-OE2 3.48Å; R825-E982 IonicContact NH2-OE2 3.74Å; R825-E982 PolarHBondContact NH2-OE2 3.08Å; R825-E987 IonicContact CZ-OE2 3.7Å; R825-E987 IonicContact NH1-OE1 2.82Å; R825-E987 PolarHBondContact NH1-OE1 2.95Å; R825-E987 IonicContact NH1-OE2 3.65Å; R825-E987 PolarHBondContact NH1-OE2 2.9Å | ||
| 826 | R | 72.2 | Confident | 63.8 | Low | 186 Ų | 186 | 82.2 Ų | 82.2 | 70% | 0.702 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -68 | -20.7 | 177.8 | -169.3 | 176.4 | -68.7 | -174.9 | -2.4 | 113.5 | G780 E824 | G780-R826 CarbonylContact C-O 2.89Å; G780-R826 WeakPolarHBondContact CA-O 3.04Å; E824-R826 PolarHBondContact O-N 2.62Å |
| 827 | W | 85.4 | Confident | 66.9 | Low | 25 Ų | 25 | 77.1 Ų | 77.1 | 10% | 0.095 | 43% | 0.427 | C | S | . | . | trans | -115.7 | 157.6 | 178.7 | 67.5 | -89.2 | 0 | 0 | 0 | 111 | F778 P779 E781 R825 P829 T980 K981 E982 | F778-W827 HydrophobicContact CB-CB 4.07Å; F778-W827 HydrophobicContact CD1-CE3 4.13Å; P779-W827 CarbonylContact O-C 3.58Å; P779-W827 WeakPolarHBondContact O-CA 3.44Å; E781-W827 HydrophobicContact CG-CB 3.58Å; R825-W827 PolarHBondContact O-N 2.76Å; W827-P829 HydrophobicContact CZ3-CG 3.98Å; W827-T980 VanDerWaalsContact CH2-OG1 3.31Å; W827-T980 WeakPolarHBondContact CH2-OG1 3.15Å; W827-T980 WeakPolarHBondContact CZ3-OG1 3.22Å; W827-K981 HydrophobicContact CD2-CB 4.2Å; W827-K981 HydrophobicContact CD2-CD 4.02Å; W827-K981 HydrophobicContact CD2-CG 4.09Å; W827-K981 HydrophobicContact CE3-CB 4.22Å; W827-K981 HydrophobicContact CE3-CD 4.43Å; W827-K981 HydrophobicContact CE3-CG 4.04Å; W827-K981 HydrophobicContact CG-CD 4.17Å; W827-K981 HydrophobicContact CH2-CB 3.82Å; W827-K981 HydrophobicContact CZ2-CB 3.74Å; W827-K981 HydrophobicContact CZ3-CB 4.03Å; W827-K981 HydrophobicContact CZ3-CG 4.26Å; W827-E982 HydrophobicContact CH2-CB 4.15Å; W827-E982 HydrophobicContact CZ2-CB 4.07Å; W827-E982 HydrophobicContact CZ2-CG 4.01Å | ||
| 828 | K | 86.2 | Confident | 69.6 | Low | 144 Ų | 144 | 71.4 Ų | 71.4 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | trans | -126.9 | 150.9 | 174.2 | -61.8 | -178.7 | -178.7 | 178.9 | 0 | 110.8 | P779 | P779-K828 WeakPolarHBondContact CD-O 3.37Å; P779-K828 PolarHBondContact O-N 3.02Å | ||
| 829 | P | 89.7 | Confident | 72.4 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | trans | -59.8 | 150.5 | 171.7 | -20.8 | 31.5 | 0 | 0 | 0 | 112.3 | W827 M978 L979 E987 | W827-P829 HydrophobicContact CZ3-CG 3.98Å; P829-M978 HydrophobicContact CB-CG 3.55Å; P829-M978 HydrophobicContact CB-SD 3.43Å; P829-M978 WeakPolarHBondContact CB-SD 3.28Å; P829-M978 HydrophobicContact CG-SD 3.9Å; P829-L979 WeakPolarHBondContact CA-O 3.32Å; P829-E987 WeakPolarHBondContact CD-OE1 3.17Å; P829-E987 HydrophobicContact CG-CG 4.4Å; P829-E987 WeakPolarHBondContact CG-OE1 3.17Å | ||
| 830 | L | 93.5 | Very high | 75.3 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.2 | 168.9 | -177.8 | 87.4 | 0 | 0 | 0 | 108.8 | P779 I890 I913 P948 M978 L979 | P779-L830 HydrophobicContact CG-CD1 4.09Å; L830-I890 HydrophobicContact CD2-CD1 4.03Å; L830-I890 HydrophobicContact CD2-CG1 3.96Å; L830-I913 HydrophobicContact CD1-CB 4.28Å; L830-I913 HydrophobicContact CD1-CD1 4.25Å; L830-I913 HydrophobicContact CD2-CB 4.41Å; L830-I913 HydrophobicContact CD2-CD1 4.3Å; L830-I913 HydrophobicContact CD2-CG1 4.19Å; L830-I913 WeakPolarHBondContact CD2-O 3.42Å; L830-I913 HydrophobicContact CG-CD1 4.39Å; L830-P948 HydrophobicContact CB-CG 3.92Å; L830-P948 HydrophobicContact CD2-CG 4.01Å; L830-P948 HydrophobicContact CG-CG 4.41Å; L830-M978 CarbonylContact O-C 3.5Å; L830-M978 VanDerWaalsContact O-CA 3.25Å; L830-M978 WeakPolarHBondContact O-CA 3.33Å; L830-L979 HydrophobicContact CB-CB 4.41Å; L830-L979 HydrophobicContact CD2-CD1 4.11Å; L830-L979 PolarHBondContact N-O 3Å; L830-L979 PolarHBondContact O-N 3.14Å |
| 831 | V | 93.2 | Very high | 77.9 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.5 | 177.1 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | I758 V977 M978 I995 | I758-V831 HydrophobicContact CG1-CG1 4.42Å; V831-V977 WeakPolarHBondContact CA-O 3.43Å; V831-M978 HydrophobicContact CG2-CB 4.03Å; V831-M978 HydrophobicContact CG2-CG 3.87Å; V831-M978 HydrophobicContact CG2-SD 4.12Å; V831-I995 HydrophobicContact CG1-CD1 3.75Å |
| 832 | G | 92.8 | Very high | 80.8 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 172.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | N976 V977 | G832-N976 WeakPolarHBondContact O-CA 3.48Å; G832-V977 PolarHBondContact N-O 2.79Å; G832-V977 PolarHBondContact O-N 2.78Å |
| 833 | P | 94.9 | Very high | 83.2 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 140.8 | -179.8 | 30.6 | -34.7 | 0 | 0 | 0 | 111.6 | A889 I890 P974 L975 | P833-A889 HydrophobicContact CG-CB 4.23Å; P833-A889 WeakPolarHBondContact O-CA 3.22Å; P833-A889 WeakPolarHBondContact O-CB 3.49Å; P833-I890 PolarHBondContact O-N 3.45Å; P833-P974 HydrophobicContact CB-CB 3.94Å; P833-P974 HydrophobicContact CB-CG 3.66Å; P833-L975 WeakPolarHBondContact CA-O 3.13Å |
| 834 | V | 95.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.4 | -179.2 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | I890 I892 I916 M964 L975 V977 | V834-I890 WeakPolarHBondContact CA-O 3.36Å; V834-I890 HydrophobicContact CG2-CB 4.47Å; V834-I892 HydrophobicContact CG1-CD1 3.55Å; V834-I892 HydrophobicContact CG1-CG1 3.64Å; V834-I916 HydrophobicContact CG1-CD1 4.49Å; V834-M964 HydrophobicContact CB-CE 4.02Å; V834-M964 HydrophobicContact CB-SD 4.31Å; V834-M964 HydrophobicContact CG1-CE 3.69Å; V834-M964 HydrophobicContact CG1-SD 3.87Å; V834-L975 PolarHBondContact N-O 3.13Å; V834-V977 HydrophobicContact CG2-CB 4.05Å; V834-V977 HydrophobicContact CG2-CG1 3.65Å; V834-V977 HydrophobicContact CG2-CG2 3.32Å |
| 835 | R | 95.3 | Very high | 87.7 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.5 | 174.7 | -68 | -174.6 | 164.1 | 118 | 9.3 | 112.5 | A850 Y851 S885 I886 A889 I890 G891 I892 | R835-A850 HydrophobicContact CB-CB 3.69Å; R835-Y851 CarbonylContact C-O 3.6Å; R835-Y851 VanDerWaalsContact CA-O 3.32Å; R835-Y851 WeakPolarHBondContact CA-O 3.39Å; R835-S885 WeakPolarHBondContact CD-O 3.35Å; R835-S885 PolarHBondContact NH1-O 3.38Å; R835-I886 HydrophobicContact CB-CD1 4.29Å; R835-A889 HydrophobicContact CG-CB 4.35Å; R835-I890 PolarHBondContact N-O 3.22Å; R835-G891 CarbonylContact O-C 3.52Å; R835-G891 WeakPolarHBondContact O-CA 3.49Å; R835-I892 PolarHBondContact O-N 3.17Å |
| 836 | V | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | Y838 A850 Y851 P854 W860 I892 M964 | V836-Y838 HydrophobicContact CG1-CE2 4.19Å; V836-A850 WeakPolarHBondContact O-CA 3.32Å; V836-A850 WeakPolarHBondContact O-CB 3.15Å; V836-Y851 PolarHBondContact N-O 2.76Å; V836-Y851 PolarHBondContact O-N 3.27Å; V836-P854 HydrophobicContact CG2-CB 4.4Å; V836-W860 HydrophobicContact CG1-CH2 3.96Å; V836-W860 HydrophobicContact CG1-CZ2 4.21Å; V836-I892 HydrophobicContact CG2-CB 4.31Å; V836-I892 HydrophobicContact CG2-CD1 4.42Å; V836-M964 HydrophobicContact CG2-CE 4.27Å |
| 837 | V | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -93.9 | 162.7 | -175.4 | -47.4 | 0 | 0 | 0 | 0 | 112.6 | I846 A850 I886 I892 V893 L907 | V837-I846 HydrophobicContact CB-CD1 3.94Å; V837-I846 HydrophobicContact CB-CG2 4.49Å; V837-I846 HydrophobicContact CG1-CD1 3.84Å; V837-I846 HydrophobicContact CG2-CD1 4.32Å; V837-I846 HydrophobicContact CG2-CG2 4.04Å; V837-A850 HydrophobicContact CG1-CB 4.22Å; V837-I886 HydrophobicContact CG1-CD1 3.64Å; V837-I886 HydrophobicContact CG1-CG1 3.96Å; V837-I892 PolarHBondContact N-O 2.8Å; V837-V893 HydrophobicContact CG2-CG1 3.48Å; V837-V893 VanDerWaalsContact CG2-CG1 3.48Å; V837-L907 HydrophobicContact CG2-CD1 4.35Å | ||
| 838 | Y | 86.5 | Confident | 90.1 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -133.7 | 138.9 | 173.9 | -72 | -84.3 | 0 | 0 | 0 | 111.4 | V836 M840 I846 M847 Y851 L858 F868 L873 | V836-Y838 HydrophobicContact CG1-CE2 4.19Å; Y838-M840 HydrophobicContact CD1-CG 3.64Å; Y838-M840 HydrophobicContact CE1-CG 3.28Å; Y838-M840 HydrophobicContact CE1-SD 3.71Å; Y838-I846 WeakPolarHBondContact O-CA 3.41Å; Y838-M847 WeakPolarHBondContact O-CG 3.46Å; Y838-M847 PolarHBondContact O-N 3.16Å; Y838-Y851 AromaticContact CD2-CD2 3.58Å; Y838-Y851 HydrophobicContact CD2-CD2 3.58Å; Y838-Y851 AromaticContact CD2-CE2 3.62Å; Y838-Y851 HydrophobicContact CD2-CE2 3.62Å; Y838-Y851 AromaticContact CE2-CD2 3.43Å; Y838-Y851 HydrophobicContact CE2-CD2 3.43Å; Y838-Y851 VanDerWaalsContact CE2-CD2 3.43Å; Y838-Y851 AromaticContact CE2-CE2 3.76Å; Y838-Y851 HydrophobicContact CE2-CE2 3.76Å; Y838-Y851 HydrophobicContact CE2-CG 4.41Å; Y838-L858 WeakPolarHBondContact OH-CD1 3.3Å; Y838-F868 HydrophobicContact CD1-CE1 4.27Å; Y838-F868 AromaticContact CD1-CE2 3.58Å; Y838-F868 HydrophobicContact CD1-CE2 3.58Å; Y838-F868 AromaticContact CD1-CZ 3.42Å; Y838-F868 HydrophobicContact CD1-CZ 3.42Å; Y838-F868 VanDerWaalsContact CD1-CZ 3.42Å; Y838-F868 AromaticContact CE1-CE2 3.62Å; Y838-F868 HydrophobicContact CE1-CE2 3.62Å; Y838-F868 AromaticContact CE1-CZ 3.4Å; Y838-F868 HydrophobicContact CE1-CZ 3.4Å; Y838-F868 VanDerWaalsContact CE1-CZ 3.4Å; Y838-L873 HydrophobicContact CD1-CD1 4.39Å; Y838-L873 HydrophobicContact CD1-CD2 4.49Å; Y838-L873 HydrophobicContact CD2-CD2 4.45Å; Y838-L873 HydrophobicContact CE1-CD2 4.07Å; Y838-L873 HydrophobicContact CE2-CD2 4.01Å; Y838-L873 HydrophobicContact CG-CD1 4.44Å |
| 839 | P | 87.8 | Confident | 90.3 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 25% | 0.253 | 21% | 0.209 | S | C | . | . | S | Bend | cis | -62.4 | 145.4 | -5.7 | 29.1 | -35.8 | 0 | 0 | 0 | 111.8 | D841 A842 Q844 | P839-D841 PolarHBondContact O-N 3.37Å; P839-D841 VanDerWaalsContact O-N 3.15Å; P839-A842 PolarHBondContact O-N 2.93Å; P839-Q844 HydrophobicContact CG-CB 4.43Å |
| 840 | M | 86.7 | Confident | 90.3 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.069 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.9 | -168.3 | -63.2 | -168.6 | -59.6 | 0 | 0 | 113.5 | Y838 L858 W860 F868 V893 R894 | Y838-M840 HydrophobicContact CD1-CG 3.64Å; Y838-M840 HydrophobicContact CE1-CG 3.28Å; Y838-M840 HydrophobicContact CE1-SD 3.71Å; M840-L858 HydrophobicContact CE-CD2 4.06Å; M840-L858 HydrophobicContact SD-CD2 3.98Å; M840-W860 HydrophobicContact SD-CH2 4.31Å; M840-W860 HydrophobicContact SD-CZ2 4.4Å; M840-F868 HydrophobicContact CG-CE2 4.48Å; M840-V893 CarbonylContact O-C 3.59Å; M840-V893 WeakPolarHBondContact O-CA 3.43Å; M840-R894 HydrophobicContact CB-CB 4.49Å; M840-R894 PolarHBondContact O-N 2.69Å |
| 841 | D | 85.8 | Confident | 90.2 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15 | 175.5 | 57.8 | 26.4 | 0 | 0 | 0 | 113.2 | P839 C843 K903 | P839-D841 PolarHBondContact O-N 3.37Å; P839-D841 VanDerWaalsContact O-N 3.15Å; D841-C843 HydrophobicContact CB-CB 4.45Å; D841-C843 PolarHBondContact O-N 2.72Å; D841-C843 VanDerWaalsContact O-N 3.12Å; D841-C843 PolarHBondContact O-SG 3.35Å; D841-C843 PolarHBondContact OD1-N 3.43Å; D841-K903 WeakPolarHBondContact O-CG 3.4Å; D841-K903 PolarHBondContact O-NZ 2.71Å |
| 842 | A | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | 49.1 | 29.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P839 Q844 I846 V893 K903 H906 L907 | P839-A842 PolarHBondContact O-N 2.93Å; A842-Q844 PolarHBondContact O-N 3.29Å; A842-I846 HydrophobicContact CB-CG2 3.63Å; A842-V893 HydrophobicContact CB-CB 4.47Å; A842-V893 HydrophobicContact CB-CG1 3.65Å; A842-K903 HydrophobicContact CB-CB 4.22Å; A842-H906 PolarHBondContact O-ND1 3.36Å; A842-L907 HydrophobicContact CB-CD1 3.68Å | ||
| 843 | C | 87.5 | Confident | 89.8 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -86.4 | 8.6 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | D841 C898 | D841-C843 HydrophobicContact CB-CB 4.45Å; D841-C843 PolarHBondContact O-N 2.72Å; D841-C843 VanDerWaalsContact O-N 3.12Å; D841-C843 PolarHBondContact O-SG 3.35Å; D841-C843 PolarHBondContact OD1-N 3.43Å; C843-C898 WeakPolarHBondContact CA-SG 3.35Å; C843-C898 HydrophobicContact CB-CB 3.63Å; C843-C898 WeakPolarHBondContact CB-SG 3.28Å; C843-C898 WeakPolarHBondContact SG-CB 3.37Å; C843-C898 PolarHBondContact SG-N 2.81Å; C843-C898 CovalentContact SG-SG 2.03Å; C843-C898 PolarHBondContact SG-SG 3.38Å |
| 844 | Q | 88.1 | Confident | 89.2 | Confident | 128 Ų | 128 | 35.1 Ų | 35.1 | 60% | 0.598 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -144.1 | 161.1 | 167.3 | -70.5 | -65 | -78.7 | 0 | 0 | 106.9 | P839 A842 I846 | P839-Q844 HydrophobicContact CG-CB 4.43Å; A842-Q844 PolarHBondContact O-N 3.29Å; Q844-I846 PolarHBondContact O-N 2.85Å |
| 845 | P | 88.4 | Confident | 88.1 | Confident | 92 Ų | 92 | 35.7 Ų | 35.7 | 60% | 0.597 | 18% | 0.181 | S | C | * | . | P | Polyproline II helix | trans | -50.9 | 124.7 | 177 | -29.2 | 36.1 | 0 | 0 | 0 | 112.6 | ||
| 846 | I | 89.8 | Confident | 86.9 | Confident | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 157 | -174 | 61.6 | 159.1 | 0 | 0 | 0 | 112.9 | V837 Y838 A842 Q844 I886 L907 A910 | V837-I846 HydrophobicContact CB-CD1 3.94Å; V837-I846 HydrophobicContact CB-CG2 4.49Å; V837-I846 HydrophobicContact CG1-CD1 3.84Å; V837-I846 HydrophobicContact CG2-CD1 4.32Å; V837-I846 HydrophobicContact CG2-CG2 4.04Å; Y838-I846 WeakPolarHBondContact O-CA 3.41Å; A842-I846 HydrophobicContact CB-CG2 3.63Å; Q844-I846 PolarHBondContact O-N 2.85Å; I846-I886 HydrophobicContact CD1-CG1 4.19Å; I846-I886 HydrophobicContact CD1-CG2 4.29Å; I846-L907 HydrophobicContact CD1-CD1 3.74Å; I846-L907 HydrophobicContact CD1-CG 3.82Å; I846-L907 HydrophobicContact CG1-CD1 4.41Å; I846-L907 HydrophobicContact CG2-CD1 4.21Å; I846-A910 HydrophobicContact CD1-CB 3.77Å; I846-A910 HydrophobicContact CG1-CB 3.73Å |
| 847 | M | 87.8 | Confident | 85.6 | Confident | 84 Ų | 84 | 43.5 Ų | 43.5 | 41% | 0.414 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 135.6 | 169.8 | -62.8 | 179.2 | 67.3 | 0 | 0 | 110.4 | Y838 E849 | Y838-M847 WeakPolarHBondContact O-CG 3.46Å; Y838-M847 PolarHBondContact O-N 3.16Å; M847-E849 PolarHBondContact O-N 2.78Å; M847-E849 VanDerWaalsContact O-N 3.11Å |
| 848 | Q | 87.1 | Confident | 84.6 | Confident | 141 Ų | 141 | 44.7 Ų | 44.7 | 66% | 0.659 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -65.7 | -10.9 | 174.8 | -72.4 | -164.2 | -8.3 | 0 | 0 | 113.8 | S885 I886 | Q848-S885 CarbonylContact O-C 3.59Å; Q848-S885 VanDerWaalsContact O-CA 3.29Å; Q848-S885 WeakPolarHBondContact O-CA 3.47Å; Q848-S885 PolarHBondContact O-OG 3.03Å; Q848-I886 PolarHBondContact O-N 3.21Å |
| 849 | E | 88.8 | Confident | 84 | Confident | 92 Ų | 92 | 50.2 Ų | 50.2 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.5 | 175.8 | -64.5 | -176.4 | 108.9 | 0 | 0 | 110.6 | M847 K883 G884 | M847-E849 PolarHBondContact O-N 2.78Å; M847-E849 VanDerWaalsContact O-N 3.11Å; E849-K883 HydrophobicContact CB-CD 4.09Å; E849-K883 HydrophobicContact CB-CG 4.05Å; E849-K883 IonicContact OE1-NZ 3.99Å; E849-K883 WeakPolarHBondContact OE2-CE 3.31Å; E849-K883 IonicContact OE2-NZ 2.63Å; E849-K883 PolarHBondContact OE2-NZ 2.92Å; E849-G884 CarbonylContact C-O 3.55Å; E849-G884 WeakPolarHBondContact CA-O 3.43Å |
| 850 | A | 90.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 163.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R835 V836 V837 K883 G884 I886 | R835-A850 HydrophobicContact CB-CB 3.69Å; V836-A850 WeakPolarHBondContact O-CA 3.32Å; V836-A850 WeakPolarHBondContact O-CB 3.15Å; V837-A850 HydrophobicContact CG1-CB 4.22Å; A850-K883 WeakPolarHBondContact O-CA 3.14Å; A850-G884 PolarHBondContact N-O 3.16Å; A850-G884 PolarHBondContact O-N 3.34Å; A850-I886 HydrophobicContact CB-CB 4.13Å; A850-I886 HydrophobicContact CB-CD1 4.1Å |
| 851 | Y | 91.5 | Very high | 83.5 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140 | -170.6 | -62.1 | -95.6 | 0 | 0 | 0 | 111.8 | R835 V836 Y838 Y853 L873 M879 K883 | R835-Y851 CarbonylContact C-O 3.6Å; R835-Y851 VanDerWaalsContact CA-O 3.32Å; R835-Y851 WeakPolarHBondContact CA-O 3.39Å; V836-Y851 PolarHBondContact N-O 2.76Å; V836-Y851 PolarHBondContact O-N 3.27Å; Y838-Y851 AromaticContact CD2-CD2 3.58Å; Y838-Y851 HydrophobicContact CD2-CD2 3.58Å; Y838-Y851 AromaticContact CD2-CE2 3.62Å; Y838-Y851 HydrophobicContact CD2-CE2 3.62Å; Y838-Y851 AromaticContact CE2-CD2 3.43Å; Y838-Y851 HydrophobicContact CE2-CD2 3.43Å; Y838-Y851 VanDerWaalsContact CE2-CD2 3.43Å; Y838-Y851 AromaticContact CE2-CE2 3.76Å; Y838-Y851 HydrophobicContact CE2-CE2 3.76Å; Y838-Y851 HydrophobicContact CE2-CG 4.41Å; Y851-Y853 PolarHBondContact O-N 3.49Å; Y851-L873 HydrophobicContact CE2-CD2 4.17Å; Y851-M879 HydrophobicContact CD1-CG 3.79Å; Y851-M879 VanDerWaalsContact CD1-O 3.28Å; Y851-M879 WeakPolarHBondContact CD1-O 3.33Å; Y851-M879 HydrophobicContact CE1-CG 4.24Å; Y851-K883 HydrophobicContact CD1-CB 4.22Å; Y851-K883 HydrophobicContact CD1-CG 4.24Å; Y851-K883 HydrophobicContact CE1-CB 4.14Å; Y851-K883 HydrophobicContact CE1-CD 4.37Å; Y851-K883 HydrophobicContact CE1-CG 3.95Å |
| 852 | A | 90.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -70.5 | -13.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S882 M964 W968 P974 | A852-S882 PolarHBondContact N-O 3.37Å; A852-M964 WeakPolarHBondContact O-CE 3.47Å; A852-W968 HydrophobicContact CB-CD2 4.23Å; A852-W968 HydrophobicContact CB-CE3 3.4Å; A852-W968 VanDerWaalsContact CB-CE3 3.4Å; A852-W968 HydrophobicContact CB-CZ3 3.69Å; A852-P974 HydrophobicContact CB-CB 3.93Å |
| 853 | Y | 86.9 | Confident | 81.2 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -158.5 | 155.8 | 173.4 | 71.4 | -85.9 | 0 | 0 | 0 | 109.8 | Y851 I878 M879 S882 R965 W968 | Y851-Y853 PolarHBondContact O-N 3.49Å; Y853-I878 WeakPolarHBondContact OH-CG2 3.41Å; Y853-M879 WeakPolarHBondContact OH-CA 3.41Å; Y853-M879 PolarHBondContact OH-N 3.24Å; Y853-S882 WeakPolarHBondContact CE1-OG 3.47Å; Y853-R965 HydrophobicContact CD2-CB 4.35Å; Y853-R965 HydrophobicContact CD2-CG 4.09Å; Y853-W968 HydrophobicContact CD1-CB 3.87Å; Y853-W968 AromaticContact CD1-CD1 3.76Å; Y853-W968 HydrophobicContact CD1-CD2 4.17Å; Y853-W968 AromaticContact CD1-CG 3.6Å; Y853-W968 HydrophobicContact CD1-CG 3.6Å; Y853-W968 HydrophobicContact CE1-CB 4.39Å; Y853-W968 AromaticContact CE1-CD1 3.4Å; Y853-W968 HydrophobicContact CE1-CD2 4.27Å; Y853-W968 AromaticContact CE1-CG 3.74Å; Y853-W968 HydrophobicContact CE1-CG 3.74Å; Y853-W968 AromaticContact CE1-NE1 3.78Å |
| 854 | P | 81.6 | Confident | 79.6 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | trans | -86.7 | 151.7 | 177.8 | 33.9 | -34.3 | 0 | 0 | 0 | 113 | V836 L858 W860 L961 R965 | V836-P854 HydrophobicContact CG2-CB 4.4Å; P854-L858 HydrophobicContact CB-CD1 3.75Å; P854-W860 HydrophobicContact CB-CZ2 4.06Å; P854-W860 HydrophobicContact CG-CZ2 4.32Å; P854-L961 HydrophobicContact CG-CB 4.39Å; P854-L961 HydrophobicContact CG-CD1 4.25Å; P854-L961 HydrophobicContact CG-CD2 3.99Å; P854-L961 HydrophobicContact CG-CG 4.43Å; P854-R965 PolarHBondContact O-NH2 2.89Å | ||
| 855 | S | 73 | Confident | 77.8 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | -57.3 | 161.2 | 165.6 | -156.8 | 0 | 0 | 0 | 0 | 112 | D857 R965 | S855-D857 VanDerWaalsContact C-N 3.27Å; S855-D857 PolarHBondContact OG-OD2 2.96Å; S855-R965 PolarHBondContact O-NH2 3.49Å | ||
| 856 | V | 69.6 | Low | 75.8 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 69% | 0.685 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28.6 | 176.3 | -160.7 | 0 | 0 | 0 | 0 | 111.1 | L858 | V856-L858 VanDerWaalsContact C-N 3.28Å; V856-L858 PolarHBondContact O-N 3.36Å |
| 857 | D | 66.2 | Low | 73.6 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.2 | -170 | -29.4 | -75 | 0 | 0 | 0 | 114.5 | S855 | S855-D857 VanDerWaalsContact C-N 3.27Å; S855-D857 PolarHBondContact OG-OD2 2.96Å |
| 858 | L | 70.9 | Confident | 71.6 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | trans | -87.6 | 116 | -171.2 | -73 | 159.9 | 0 | 0 | 0 | 111.9 | Y838 M840 P854 V856 W860 | Y838-L858 WeakPolarHBondContact OH-CD1 3.3Å; M840-L858 HydrophobicContact CE-CD2 4.06Å; M840-L858 HydrophobicContact SD-CD2 3.98Å; P854-L858 HydrophobicContact CB-CD1 3.75Å; V856-L858 VanDerWaalsContact C-N 3.28Å; V856-L858 PolarHBondContact O-N 3.36Å; L858-W860 VanDerWaalsContact O-CD1 3.24Å; L858-W860 PolarHBondContact O-N 3.31Å; L858-W860 VanDerWaalsContact O-N 3.1Å | ||
| 859 | Q | 75 | Confident | 69.7 | Low | 121 Ų | 121 | 65 Ų | 65 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | trans | -80.2 | 93.2 | -178.4 | -58.7 | -164.5 | 29.2 | 0 | 0 | 112.4 | N861 Q862 R894 | Q859-N861 VanDerWaalsContact C-N 3.33Å; Q859-Q862 HydrophobicContact CB-CG 3.91Å; Q859-R894 PolarHBondContact O-NH1 2.72Å | ||
| 860 | W | 82.4 | Confident | 67.7 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 8% | 0.076 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.1 | 175.4 | -68.5 | 95.8 | 0 | 0 | 0 | 113.6 | V836 M840 P854 L858 Q862 I892 R894 V918 N920 L961 | V836-W860 HydrophobicContact CG1-CH2 3.96Å; V836-W860 HydrophobicContact CG1-CZ2 4.21Å; M840-W860 HydrophobicContact SD-CH2 4.31Å; M840-W860 HydrophobicContact SD-CZ2 4.4Å; P854-W860 HydrophobicContact CB-CZ2 4.06Å; P854-W860 HydrophobicContact CG-CZ2 4.32Å; L858-W860 VanDerWaalsContact O-CD1 3.24Å; L858-W860 PolarHBondContact O-N 3.31Å; L858-W860 VanDerWaalsContact O-N 3.1Å; W860-Q862 VanDerWaalsContact C-N 3.3Å; W860-Q862 PolarHBondContact O-N 2.71Å; W860-I892 HydrophobicContact CH2-CG2 3.9Å; W860-I892 HydrophobicContact CZ3-CG2 4.23Å; W860-R894 HydrophobicContact CE3-CB 4.22Å; W860-R894 HydrophobicContact CE3-CG 4.22Å; W860-R894 HydrophobicContact CZ3-CB 4.1Å; W860-R894 WeakPolarHBondContact O-CD 3.44Å; W860-V918 HydrophobicContact CE3-CG2 3.51Å; W860-V918 HydrophobicContact CH2-CG2 4.4Å; W860-V918 HydrophobicContact CZ3-CG2 3.4Å; W860-V918 VanDerWaalsContact CZ3-CG2 3.4Å; W860-N920 WeakPolarHBondContact O-CB 3.49Å; W860-L961 HydrophobicContact CD2-CD1 4.28Å; W860-L961 HydrophobicContact CZ2-CD1 3.99Å |
| 861 | N | 80.8 | Confident | 65.7 | Low | 81 Ų | 81 | 68 Ų | 68 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 10 | -175 | -64.1 | -16 | 0 | 0 | 0 | 114.8 | Q859 N920 R957 | Q859-N861 VanDerWaalsContact C-N 3.33Å; N861-N920 CarbonylContact C-O 3.57Å; N861-N920 VanDerWaalsContact CA-O 3.25Å; N861-N920 WeakPolarHBondContact CA-O 3.41Å; N861-R957 PolarHBondContact OD1-NH1 3.14Å; N861-R957 PolarHBondContact OD1-NH2 2.85Å |
| 862 | Q | 69.8 | Low | 63.7 | Low | 44 Ų | 44 | 71.3 Ų | 71.3 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -93.4 | 155.5 | 177.5 | -77.6 | -171.4 | -20.1 | 0 | 0 | 112.7 | Q859 W860 E866 N920 | Q859-Q862 HydrophobicContact CB-CG 3.91Å; W860-Q862 VanDerWaalsContact C-N 3.3Å; W860-Q862 PolarHBondContact O-N 2.71Å; Q862-E866 PolarHBondContact NE2-OE1 2.77Å; Q862-E866 PolarHBondContact OE1-OE1 3.35Å; Q862-N920 PolarHBondContact O-ND2 3.25Å |
| 863 | N | 59.1 | Low | 61.9 | Low | 112 Ų | 112 | 72.4 Ų | 72.4 | 60% | 0.599 | 41% | 0.405 | S | S | * | . | trans | -76.2 | 165.3 | 163.6 | -77.3 | -24.8 | 0 | 0 | 0 | 111.6 | T865 N920 | N863-T865 PolarHBondContact O-N 2.87Å; N863-N920 PolarHBondContact OD1-ND2 3.16Å | ||
| 864 | S | 54.5 | Low | 60.1 | Low | 44 Ų | 44 | 76 Ų | 76 | 31% | 0.308 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 31.4 | -167.4 | 58.7 | 0 | 0 | 0 | 0 | 115.8 | G897 | S864-G897 WeakPolarHBondContact OG-CA 3.48Å; S864-G897 PolarHBondContact OG-N 2.75Å; S864-G897 VanDerWaalsContact OG-N 3.16Å |
| 865 | T | 48.5 | Very low | 58.6 | Low | 131 Ų | 131 | 79.6 Ų | 79.6 | 80% | 0.804 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -7.3 | -172.6 | 45.3 | 0 | 0 | 0 | 0 | 115.1 | N863 | N863-T865 PolarHBondContact O-N 2.87Š|
| 866 | E | 46.4 | Very low | 57.8 | Low | 130 Ų | 130 | 80.7 Ų | 80.7 | 61% | 0.607 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -86.1 | 121 | 173.8 | -70.8 | -163 | -169.5 | 0 | 0 | 111.9 | Q862 | Q862-E866 PolarHBondContact NE2-OE1 2.77Å; Q862-E866 PolarHBondContact OE1-OE1 3.35Å |
| 867 | S | 44.1 | Very low | 57.4 | Low | 113 Ų | 113 | 77.9 Ų | 77.9 | 79% | 0.79 | 45% | 0.451 | S | S | * | . | trans | -68.6 | 131.4 | 173.1 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | N869 | S867-N869 PolarHBondContact O-N 3.49Š| ||
| 868 | F | 45.1 | Very low | 57.3 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 40% | 0.404 | 45% | 0.45 | S | S | . | . | trans | -68.3 | 105.4 | -162.5 | -160.8 | -81.4 | 0 | 0 | 0 | 113.1 | Y838 M840 S870 L873 | Y838-F868 HydrophobicContact CD1-CE1 4.27Å; Y838-F868 AromaticContact CD1-CE2 3.58Å; Y838-F868 HydrophobicContact CD1-CE2 3.58Å; Y838-F868 AromaticContact CD1-CZ 3.42Å; Y838-F868 HydrophobicContact CD1-CZ 3.42Å; Y838-F868 VanDerWaalsContact CD1-CZ 3.42Å; Y838-F868 AromaticContact CE1-CE2 3.62Å; Y838-F868 HydrophobicContact CE1-CE2 3.62Å; Y838-F868 AromaticContact CE1-CZ 3.4Å; Y838-F868 HydrophobicContact CE1-CZ 3.4Å; Y838-F868 VanDerWaalsContact CE1-CZ 3.4Å; M840-F868 HydrophobicContact CG-CE2 4.48Å; F868-S870 PolarHBondContact O-N 2.96Å; F868-L873 HydrophobicContact CE1-CD1 3.63Å; F868-L873 HydrophobicContact CE1-CG 3.88Å; F868-L873 HydrophobicContact CZ-CD1 4.07Å; F868-L873 HydrophobicContact CZ-CG 4.11Å | ||
| 869 | N | 47.7 | Very low | 57.1 | Low | 108 Ų | 108 | 76.7 Ų | 76.7 | 58% | 0.578 | 44% | 0.444 | S | S | * | . | trans | -76.2 | 98.3 | -177 | -143.4 | -18 | 0 | 0 | 0 | 110.2 | S867 S871 L872 | S867-N869 PolarHBondContact O-N 3.49Å; N869-S871 PolarHBondContact O-N 3.35Å; N869-S871 PolarHBondContact OD1-OG 3.47Å; N869-L872 HydrophobicContact CB-CD1 4.4Å; N869-L872 PolarHBondContact O-N 3.24Å | ||
| 870 | S | 46.5 | Very low | 57 | Low | 86 Ų | 86 | 78.1 Ų | 78.1 | 60% | 0.601 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.7 | -171 | 61.8 | 0 | 0 | 0 | 0 | 115.1 | F868 L872 N874 | F868-S870 PolarHBondContact O-N 2.96Å; S870-L872 VanDerWaalsContact C-N 3.34Å; S870-N874 PolarHBondContact O-ND2 3.38Å; S870-N874 VanDerWaalsContact O-ND2 3.14Å |
| 871 | S | 48.6 | Very low | 56.8 | Low | 69 Ų | 69 | 83.8 Ų | 83.8 | 48% | 0.483 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.5 | 169.7 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | N869 L873 N874 | N869-S871 PolarHBondContact O-N 3.35Å; N869-S871 PolarHBondContact OD1-OG 3.47Å; S871-L873 VanDerWaalsContact C-N 3.33Å; S871-L873 PolarHBondContact O-N 3.36Å; S871-N874 PolarHBondContact O-N 2.84Å; S871-N874 VanDerWaalsContact O-N 3.13Å |
| 872 | L | 50.5 | Low | 56.9 | Low | 83 Ų | 83 | 80 Ų | 80 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -67.6 | -27.6 | -175.1 | -77.7 | 162.5 | 0 | 0 | 0 | 113.8 | N869 S870 N874 S875 | N869-L872 HydrophobicContact CB-CD1 4.4Å; N869-L872 PolarHBondContact O-N 3.24Å; S870-L872 VanDerWaalsContact C-N 3.34Å; L872-N874 PolarHBondContact O-N 3.32Å; L872-S875 PolarHBondContact O-OG 3.43Å |
| 873 | L | 51.8 | Low | 57.7 | Low | 24 Ų | 24 | 81.3 Ų | 81.3 | 13% | 0.126 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -74.4 | -4 | 175.5 | -73.7 | 173.7 | 0 | 0 | 0 | 113.9 | Y838 Y851 F868 S871 M879 | Y838-L873 HydrophobicContact CD1-CD1 4.39Å; Y838-L873 HydrophobicContact CD1-CD2 4.49Å; Y838-L873 HydrophobicContact CD2-CD2 4.45Å; Y838-L873 HydrophobicContact CE1-CD2 4.07Å; Y838-L873 HydrophobicContact CE2-CD2 4.01Å; Y838-L873 HydrophobicContact CG-CD1 4.44Å; Y851-L873 HydrophobicContact CE2-CD2 4.17Å; F868-L873 HydrophobicContact CE1-CD1 3.63Å; F868-L873 HydrophobicContact CE1-CG 3.88Å; F868-L873 HydrophobicContact CZ-CD1 4.07Å; F868-L873 HydrophobicContact CZ-CG 4.11Å; S871-L873 VanDerWaalsContact C-N 3.33Å; S871-L873 PolarHBondContact O-N 3.36Å; L873-M879 HydrophobicContact CD2-CE 3.81Å |
| 874 | N | 49.2 | Very low | 59.2 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -108.2 | -0.6 | -174.7 | -70.2 | -54 | 0 | 0 | 0 | 114.6 | S870 S871 L872 R880 | S870-N874 PolarHBondContact O-ND2 3.38Å; S870-N874 VanDerWaalsContact O-ND2 3.14Å; S871-N874 PolarHBondContact O-N 2.84Å; S871-N874 VanDerWaalsContact O-N 3.13Å; L872-N874 PolarHBondContact O-N 3.32Å; N874-R880 PolarHBondContact OD1-NH2 3.49Å |
| 875 | S | 50.3 | Low | 60.9 | Low | 78 Ų | 78 | 77.1 Ų | 77.1 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -73.8 | -27.2 | -170.9 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | L872 | L872-S875 PolarHBondContact O-OG 3.43Š|
| 876 | S | 56.9 | Low | 63.1 | Low | 37 Ų | 37 | 70.9 Ų | 70.9 | 26% | 0.259 | 40% | 0.4 | S | S | . | . | trans | -129.3 | 123.2 | -175.4 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | I878 M879 | S876-I878 VanDerWaalsContact C-N 3.28Å; S876-I878 PolarHBondContact O-N 3.4Å; S876-M879 PolarHBondContact O-N 3.44Å; S876-M879 WeakPolarHBondContact OG-CB 3.46Å | ||
| 877 | G | 61.1 | Low | 65.3 | Low | 53 Ų | 53 | 68.2 Ų | 68.2 | 55% | 0.546 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -29.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R880 | G877-R880 PolarHBondContact O-N 3.08Å |
| 878 | I | 63.2 | Low | 67.5 | Low | 93 Ų | 93 | 64.6 Ų | 64.6 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 178.9 | -52.1 | 174.8 | 0 | 0 | 0 | 110.7 | Y853 S876 R880 Q881 S882 | Y853-I878 WeakPolarHBondContact OH-CG2 3.41Å; S876-I878 VanDerWaalsContact C-N 3.28Å; S876-I878 PolarHBondContact O-N 3.4Å; I878-R880 VanDerWaalsContact C-N 3.28Å; I878-R880 PolarHBondContact O-N 3.08Å; I878-Q881 WeakPolarHBondContact O-CA 3.38Å; I878-Q881 WeakPolarHBondContact O-CB 3.47Å; I878-Q881 PolarHBondContact O-N 2.88Å; I878-S882 PolarHBondContact O-N 2.83Å |
| 879 | M | 68.5 | Low | 69.9 | Low | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.9 | -30.5 | 179.3 | -168.5 | 176.8 | 71.8 | 0 | 0 | 111.9 | Y851 Y853 L873 S876 Q881 S882 | Y851-M879 HydrophobicContact CD1-CG 3.79Å; Y851-M879 VanDerWaalsContact CD1-O 3.28Å; Y851-M879 WeakPolarHBondContact CD1-O 3.33Å; Y851-M879 HydrophobicContact CE1-CG 4.24Å; Y853-M879 WeakPolarHBondContact OH-CA 3.41Å; Y853-M879 PolarHBondContact OH-N 3.24Å; L873-M879 HydrophobicContact CD2-CE 3.81Å; S876-M879 PolarHBondContact O-N 3.44Å; S876-M879 WeakPolarHBondContact OG-CB 3.46Å; M879-Q881 PolarHBondContact O-N 3.38Å; M879-S882 PolarHBondContact O-N 3.48Å; M879-S882 PolarHBondContact O-OG 3.03Å; M879-S882 VanDerWaalsContact O-OG 3.09Å |
| 880 | R | 71.9 | Confident | 72.3 | Confident | 151 Ų | 151 | 55 Ų | 55 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.3 | -26.4 | 170.8 | -73.1 | -176.3 | 171 | -174.6 | -1.7 | 113.3 | N874 G877 I878 | N874-R880 PolarHBondContact OD1-NH2 3.49Å; G877-R880 PolarHBondContact O-N 3.08Å; I878-R880 VanDerWaalsContact C-N 3.28Å; I878-R880 PolarHBondContact O-N 3.08Å |
| 881 | Q | 77.4 | Confident | 74.6 | Confident | 139 Ų | 139 | 51 Ų | 51 | 65% | 0.65 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -81 | -18.6 | 177.1 | -61.6 | 172.5 | -9.6 | 0 | 0 | 112.6 | I878 M879 K883 | I878-Q881 WeakPolarHBondContact O-CA 3.38Å; I878-Q881 WeakPolarHBondContact O-CB 3.47Å; I878-Q881 PolarHBondContact O-N 2.88Å; M879-Q881 PolarHBondContact O-N 3.38Å; Q881-K883 VanDerWaalsContact C-N 3.31Å |
| 882 | S | 84.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7.1 | 178.9 | 78.6 | 0 | 0 | 0 | 0 | 114.4 | A852 Y853 I878 M879 | A852-S882 PolarHBondContact N-O 3.37Å; Y853-S882 WeakPolarHBondContact CE1-OG 3.47Å; I878-S882 PolarHBondContact O-N 2.83Å; M879-S882 PolarHBondContact O-N 3.48Å; M879-S882 PolarHBondContact O-OG 3.03Å; M879-S882 VanDerWaalsContact O-OG 3.09Å |
| 883 | K | 86.9 | Confident | 78.9 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 135.1 | 179.4 | -154.4 | -169.5 | -162.8 | -159.9 | 0 | 111.3 | E849 A850 Y851 Q881 | E849-K883 HydrophobicContact CB-CD 4.09Å; E849-K883 HydrophobicContact CB-CG 4.05Å; E849-K883 IonicContact OE1-NZ 3.99Å; E849-K883 WeakPolarHBondContact OE2-CE 3.31Å; E849-K883 IonicContact OE2-NZ 2.63Å; E849-K883 PolarHBondContact OE2-NZ 2.92Å; A850-K883 WeakPolarHBondContact O-CA 3.14Å; Y851-K883 HydrophobicContact CD1-CB 4.22Å; Y851-K883 HydrophobicContact CD1-CG 4.24Å; Y851-K883 HydrophobicContact CE1-CB 4.14Å; Y851-K883 HydrophobicContact CE1-CD 4.37Å; Y851-K883 HydrophobicContact CE1-CG 3.95Å; Q881-K883 VanDerWaalsContact C-N 3.31Å |
| 884 | G | 89 | Confident | 80.8 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 171.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E849 A850 | E849-G884 CarbonylContact C-O 3.55Å; E849-G884 WeakPolarHBondContact CA-O 3.43Å; A850-G884 PolarHBondContact N-O 3.16Å; A850-G884 PolarHBondContact O-N 3.34Å |
| 885 | S | 92.1 | Very high | 82.7 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 142.8 | -175.6 | -169 | 0 | 0 | 0 | 0 | 112.7 | R835 Q848 S887 | R835-S885 WeakPolarHBondContact CD-O 3.35Å; R835-S885 PolarHBondContact NH1-O 3.38Å; Q848-S885 CarbonylContact O-C 3.59Å; Q848-S885 VanDerWaalsContact O-CA 3.29Å; Q848-S885 WeakPolarHBondContact O-CA 3.47Å; Q848-S885 PolarHBondContact O-OG 3.03Å; S885-S887 VanDerWaalsContact C-N 3.25Å; S885-S887 WeakPolarHBondContact OG-CB 3.27Å; S885-S887 PolarHBondContact OG-N 3.39Å; S885-S887 VanDerWaalsContact OG-N 3.15Å |
| 886 | I | 93.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -75.7 | -17 | 168.3 | -168.3 | 56.4 | 0 | 0 | 0 | 112.2 | R835 V837 I846 Q848 A850 G888 A889 A910 A912 | R835-I886 HydrophobicContact CB-CD1 4.29Å; V837-I886 HydrophobicContact CG1-CD1 3.64Å; V837-I886 HydrophobicContact CG1-CG1 3.96Å; I846-I886 HydrophobicContact CD1-CG1 4.19Å; I846-I886 HydrophobicContact CD1-CG2 4.29Å; Q848-I886 PolarHBondContact O-N 3.21Å; A850-I886 HydrophobicContact CB-CB 4.13Å; A850-I886 HydrophobicContact CB-CD1 4.1Å; I886-G888 PolarHBondContact O-N 3.47Å; I886-A889 HydrophobicContact CD1-CB 4.27Å; I886-A889 PolarHBondContact O-N 2.7Å; I886-A910 HydrophobicContact CG2-CB 3.59Å; I886-A910 WeakPolarHBondContact CG2-O 3.19Å; I886-A912 HydrophobicContact CG1-CB 4.12Å |
| 887 | S | 92.3 | Very high | 85.4 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 126.1 | 174.8 | -172 | 0 | 0 | 0 | 0 | 110.9 | S885 A889 G911 | S885-S887 VanDerWaalsContact C-N 3.25Å; S885-S887 WeakPolarHBondContact OG-CB 3.27Å; S885-S887 PolarHBondContact OG-N 3.39Å; S885-S887 VanDerWaalsContact OG-N 3.15Å; S887-A889 VanDerWaalsContact C-N 3.28Å; S887-A889 PolarHBondContact O-N 3.28Å; S887-G911 WeakPolarHBondContact CA-O 3.39Å |
| 888 | G | 91.2 | Very high | 86.6 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 38% | 0.381 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 8.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I886 G911 I913 | I886-G888 PolarHBondContact O-N 3.47Å; G888-G911 PolarHBondContact N-O 3.43Å; G888-I913 WeakPolarHBondContact O-CD1 3.46Å |
| 889 | A | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -115.7 | 162.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P833 R835 I886 S887 A912 I913 | P833-A889 HydrophobicContact CG-CB 4.23Å; P833-A889 WeakPolarHBondContact O-CA 3.22Å; P833-A889 WeakPolarHBondContact O-CB 3.49Å; R835-A889 HydrophobicContact CG-CB 4.35Å; I886-A889 HydrophobicContact CD1-CB 4.27Å; I886-A889 PolarHBondContact O-N 2.7Å; S887-A889 VanDerWaalsContact C-N 3.28Å; S887-A889 PolarHBondContact O-N 3.28Å; A889-A912 WeakPolarHBondContact O-CA 3.41Å; A889-I913 WeakPolarHBondContact O-CG1 3.5Å; A889-I913 PolarHBondContact O-N 3.05Å |
| 890 | I | 97 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.3 | 173.1 | -63.2 | 167.9 | 0 | 0 | 0 | 108.1 | L830 P833 V834 R835 I913 G914 I916 V977 L979 | L830-I890 HydrophobicContact CD2-CD1 4.03Å; L830-I890 HydrophobicContact CD2-CG1 3.96Å; P833-I890 PolarHBondContact O-N 3.45Å; V834-I890 WeakPolarHBondContact CA-O 3.36Å; V834-I890 HydrophobicContact CG2-CB 4.47Å; R835-I890 PolarHBondContact N-O 3.22Å; I890-I913 HydrophobicContact CG1-CD1 4.36Å; I890-I913 HydrophobicContact CG1-CG1 4.15Å; I890-G914 WeakPolarHBondContact CA-O 3.45Å; I890-I916 HydrophobicContact CG2-CD1 3.8Å; I890-I916 HydrophobicContact CG2-CG1 3.8Å; I890-V977 HydrophobicContact CD1-CG2 3.8Å; I890-L979 HydrophobicContact CD1-CD1 4.32Å; I890-L979 HydrophobicContact CD1-CG 4.15Å; I890-L979 HydrophobicContact CG2-CD1 4.28Å |
| 891 | G | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R835 G914 I916 | R835-G891 CarbonylContact O-C 3.52Å; R835-G891 WeakPolarHBondContact O-CA 3.49Å; G891-G914 PolarHBondContact N-O 2.89Å; G891-I916 PolarHBondContact O-N 3.39Å |
| 892 | I | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.8 | 168 | -66.3 | -179.7 | 0 | 0 | 0 | 110.5 | V834 R835 V836 V837 W860 I916 V918 L960 L961 M964 | V834-I892 HydrophobicContact CG1-CD1 3.55Å; V834-I892 HydrophobicContact CG1-CG1 3.64Å; R835-I892 PolarHBondContact O-N 3.17Å; V836-I892 HydrophobicContact CG2-CB 4.31Å; V836-I892 HydrophobicContact CG2-CD1 4.42Å; V837-I892 PolarHBondContact N-O 2.8Å; W860-I892 HydrophobicContact CH2-CG2 3.9Å; W860-I892 HydrophobicContact CZ3-CG2 4.23Å; I892-I916 VanDerWaalsContact CA-O 3.3Å; I892-I916 WeakPolarHBondContact CA-O 3.28Å; I892-I916 HydrophobicContact CG1-CB 4.22Å; I892-V918 HydrophobicContact CG2-CG1 3.97Å; I892-V918 HydrophobicContact CG2-CG2 4.24Å; I892-L960 HydrophobicContact CD1-CD2 4.37Å; I892-L961 HydrophobicContact CD1-CD2 3.84Å; I892-M964 HydrophobicContact CD1-CE 3.98Å; I892-M964 HydrophobicContact CD1-SD 3.6Å; I892-M964 VanDerWaalsContact CD1-SD 3.6Å |
| 893 | V | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.5 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 112.5 | V837 M840 A842 L907 V915 I916 I917 V918 | V837-V893 HydrophobicContact CG2-CG1 3.48Å; V837-V893 VanDerWaalsContact CG2-CG1 3.48Å; M840-V893 CarbonylContact O-C 3.59Å; M840-V893 WeakPolarHBondContact O-CA 3.43Å; A842-V893 HydrophobicContact CB-CB 4.47Å; A842-V893 HydrophobicContact CB-CG1 3.65Å; V893-L907 HydrophobicContact CG1-CD1 3.71Å; V893-L907 HydrophobicContact CG1-CD2 4.07Å; V893-V915 HydrophobicContact CG2-CG1 3.84Å; V893-I916 PolarHBondContact N-O 2.96Å; V893-I917 HydrophobicContact CG2-CB 4.21Å; V893-I917 HydrophobicContact CG2-CG1 3.8Å; V893-I917 HydrophobicContact CG2-CG2 4.29Å; V893-I917 CarbonylContact O-C 3.51Å; V893-I917 WeakPolarHBondContact O-CA 3.41Å; V893-V918 PolarHBondContact O-N 3.37Å |
| 894 | R | 91.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 26.4 Ų | 26.4 | 6% | 0.064 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 142.1 | 177 | -167 | 176.5 | 65.8 | 172.7 | 1.9 | 111.6 | M840 Q859 W860 K903 N920 | M840-R894 HydrophobicContact CB-CB 4.49Å; M840-R894 PolarHBondContact O-N 2.69Å; Q859-R894 PolarHBondContact O-NH1 2.72Å; W860-R894 HydrophobicContact CE3-CB 4.22Å; W860-R894 HydrophobicContact CE3-CG 4.22Å; W860-R894 HydrophobicContact CZ3-CB 4.1Å; W860-R894 WeakPolarHBondContact O-CD 3.44Å; R894-K903 PolarHBondContact O-NZ 2.86Å; R894-N920 HydrophobicContact CG-CB 4.06Å |
| 895 | R | 88.8 | Confident | 90.8 | Very high | 80 Ų | 80 | 28.8 Ų | 28.8 | 30% | 0.302 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -60 | 155.3 | 168 | -173.1 | 179.6 | -174 | -178.2 | 2.4 | 112.1 | F900 V918 D919 N920 | R895-F900 HydrophobicContact CG-CE1 4.2Å; R895-V918 WeakPolarHBondContact CB-O 3.43Å; R895-V918 PolarHBondContact N-O 2.86Å; R895-D919 WeakPolarHBondContact CD-OD1 3.41Å; R895-D919 IonicContact CZ-OD1 3.77Å; R895-D919 IonicContact NE-OD1 3.97Å; R895-D919 IonicContact NH1-OD1 2.66Å; R895-D919 PolarHBondContact NH1-OD1 3.15Å; R895-D919 IonicContact NH1-OD2 2.74Å; R895-N920 HydrophobicContact CB-CB 4.38Å |
| 896 | G | 82.7 | Confident | 90.9 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 24% | 0.237 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 94.8 | 170.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C898 K903 | G896-C898 VanDerWaalsContact C-N 3.27Å; G896-C898 PolarHBondContact O-N 2.71Å; G896-C898 VanDerWaalsContact O-N 3.1Å; G896-K903 WeakPolarHBondContact O-CE 3.38Å; G896-K903 PolarHBondContact O-NZ 2.77Å |
| 897 | G | 80.5 | Confident | 90.9 | Very high | 54 Ų | 54 | 27.4 Ų | 27.4 | 56% | 0.557 | 17% | 0.168 | S | C | * | . | S | Bend | trans | 82.5 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S864 | S864-G897 WeakPolarHBondContact OG-CA 3.48Å; S864-G897 PolarHBondContact OG-N 2.75Å; S864-G897 VanDerWaalsContact OG-N 3.16Å |
| 898 | C | 86.7 | Confident | 90.9 | Very high | 28 Ų | 28 | 25.7 Ų | 25.7 | 19% | 0.189 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -157.3 | 169.8 | -176.2 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | C843 G896 E902 K903 | C843-C898 WeakPolarHBondContact CA-SG 3.35Å; C843-C898 HydrophobicContact CB-CB 3.63Å; C843-C898 WeakPolarHBondContact CB-SG 3.28Å; C843-C898 WeakPolarHBondContact SG-CB 3.37Å; C843-C898 PolarHBondContact SG-N 2.81Å; C843-C898 CovalentContact SG-SG 2.03Å; C843-C898 PolarHBondContact SG-SG 3.38Å; G896-C898 VanDerWaalsContact C-N 3.27Å; G896-C898 PolarHBondContact O-N 2.71Å; G896-C898 VanDerWaalsContact O-N 3.1Å; C898-E902 VanDerWaalsContact CB-OE2 3.32Å; C898-E902 WeakPolarHBondContact CB-OE2 3.37Å; C898-K903 WeakPolarHBondContact O-CE 3.34Å; C898-K903 VanDerWaalsContact SG-CG 3.5Å |
| 899 | V | 86.1 | Confident | 91 | Very high | 79 Ų | 79 | 29.7 Ų | 29.7 | 48% | 0.479 | 16% | 0.163 | S | C | . | . | trans | -68.2 | 150.2 | 179.5 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | V901 E902 K903 | V899-V901 PolarHBondContact O-N 2.77Å; V899-E902 HydrophobicContact CG2-CB 3.78Å; V899-E902 PolarHBondContact O-N 2.74Å; V899-K903 PolarHBondContact O-N 3.21Å | ||
| 900 | F | 90.2 | Very high | 90.8 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 16% | 0.158 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -30.9 | -174.6 | -58.7 | -63.6 | 0 | 0 | 0 | 113.6 | F775 R895 K903 A904 I917 L934 L951 | F775-F900 HydrophobicContact CE1-CB 4.16Å; F775-F900 HydrophobicContact CZ-CB 3.67Å; R895-F900 HydrophobicContact CG-CE1 4.2Å; F900-K903 HydrophobicContact CD1-CD 4.47Å; F900-A904 PolarHBondContact O-N 3.26Å; F900-A904 VanDerWaalsContact O-N 3.15Å; F900-I917 HydrophobicContact CB-CD1 4.07Å; F900-I917 HydrophobicContact CD1-CD1 3.65Å; F900-I917 HydrophobicContact CD1-CG2 4.26Å; F900-I917 HydrophobicContact CE1-CD1 4.48Å; F900-I917 HydrophobicContact CE1-CG2 4.22Å; F900-I917 HydrophobicContact CG-CD1 4.23Å; F900-L934 HydrophobicContact CD1-CD2 4.32Å; F900-L934 HydrophobicContact CD2-CB 4.07Å; F900-L934 HydrophobicContact CD2-CD2 3.97Å; F900-L934 HydrophobicContact CE1-CD2 4.05Å; F900-L934 HydrophobicContact CE2-CB 4.48Å; F900-L934 HydrophobicContact CE2-CD2 3.69Å; F900-L934 HydrophobicContact CG-CB 4.48Å; F900-L934 HydrophobicContact CG-CD2 4.27Å; F900-L934 HydrophobicContact CZ-CD2 3.73Å; F900-L951 HydrophobicContact CE1-CD1 4.36Å |
| 901 | V | 88 | Confident | 90.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | F775 V899 A904 Y905 L941 N942 I945 | F775-V901 HydrophobicContact CD1-CG2 4.23Å; F775-V901 HydrophobicContact CD2-CG2 4.05Å; F775-V901 HydrophobicContact CE1-CG2 4.12Å; F775-V901 HydrophobicContact CE2-CB 4.33Å; F775-V901 HydrophobicContact CE2-CG2 3.92Å; F775-V901 HydrophobicContact CG-CG2 4.22Å; F775-V901 HydrophobicContact CZ-CG2 3.98Å; V899-V901 PolarHBondContact O-N 2.77Å; V901-A904 PolarHBondContact O-N 2.81Å; V901-Y905 WeakPolarHBondContact O-CB 3.09Å; V901-Y905 PolarHBondContact O-N 3.31Å; V901-L941 HydrophobicContact CG1-CB 3.38Å; V901-L941 HydrophobicContact CG1-CD1 4.33Å; V901-N942 WeakPolarHBondContact CG2-OD1 3.32Å; V901-I945 HydrophobicContact CB-CD1 4.43Å; V901-I945 HydrophobicContact CG1-CD1 3.6Å; V901-I945 WeakPolarHBondContact O-CD1 3.39Å |
| 902 | E | 89.5 | Confident | 90.6 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 27% | 0.271 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.7 | -43.7 | -179.9 | -174.5 | -176.6 | 168 | 0 | 0 | 111.4 | C898 V899 A904 Y905 H906 | C898-E902 VanDerWaalsContact CB-OE2 3.32Å; C898-E902 WeakPolarHBondContact CB-OE2 3.37Å; V899-E902 HydrophobicContact CG2-CB 3.78Å; V899-E902 PolarHBondContact O-N 2.74Å; E902-A904 VanDerWaalsContact C-N 3.34Å; E902-A904 PolarHBondContact O-N 2.76Å; E902-Y905 PolarHBondContact O-N 3.4Å; E902-H906 PolarHBondContact O-N 2.98Å; E902-H906 PolarHBondContact O-ND1 2.99Å; E902-H906 IonicContact OE1-CE1 3.71Å |
| 903 | K | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.2 | -50.3 | 173.3 | -57.7 | 176.8 | -179.7 | -80.2 | 0 | 111.1 | D841 A842 R894 G896 C898 V899 F900 H906 L907 | D841-K903 WeakPolarHBondContact O-CG 3.4Å; D841-K903 PolarHBondContact O-NZ 2.71Å; A842-K903 HydrophobicContact CB-CB 4.22Å; R894-K903 PolarHBondContact O-NZ 2.86Å; G896-K903 WeakPolarHBondContact O-CE 3.38Å; G896-K903 PolarHBondContact O-NZ 2.77Å; C898-K903 WeakPolarHBondContact O-CE 3.34Å; C898-K903 VanDerWaalsContact SG-CG 3.5Å; V899-K903 PolarHBondContact O-N 3.21Å; F900-K903 HydrophobicContact CD1-CD 4.47Å; K903-H906 PolarHBondContact O-N 2.85Å; K903-L907 VanDerWaalsContact O-CD1 3.3Å; K903-L907 WeakPolarHBondContact O-CD1 3.21Å; K903-L907 PolarHBondContact O-N 3.18Å |
| 904 | A | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F775 F900 V901 E902 L907 V908 V915 I945 I949 | F775-A904 HydrophobicContact CE2-CB 4.04Å; F900-A904 PolarHBondContact O-N 3.26Å; F900-A904 VanDerWaalsContact O-N 3.15Å; V901-A904 PolarHBondContact O-N 2.81Å; E902-A904 VanDerWaalsContact C-N 3.34Å; E902-A904 PolarHBondContact O-N 2.76Å; A904-L907 PolarHBondContact O-N 2.97Å; A904-V908 WeakPolarHBondContact O-CG2 3.5Å; A904-V908 PolarHBondContact O-N 2.77Å; A904-V915 HydrophobicContact CB-CG2 4.42Å; A904-I945 HydrophobicContact CB-CD1 4.06Å; A904-I945 HydrophobicContact CB-CG2 4.32Å; A904-I949 HydrophobicContact CB-CD1 3.43Å; A904-I949 VanDerWaalsContact CB-CD1 3.43Å; A904-I949 HydrophobicContact CB-CG1 4.4Å |
| 905 | Y | 92.2 | Very high | 90.8 | Very high | 64 Ų | 64 | 33.7 Ų | 33.7 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 174.1 | 176.4 | -102.4 | 0 | 0 | 0 | 111.9 | V901 E902 L907 V908 Q909 L941 K944 | V901-Y905 WeakPolarHBondContact O-CB 3.09Å; V901-Y905 PolarHBondContact O-N 3.31Å; E902-Y905 PolarHBondContact O-N 3.4Å; Y905-L907 VanDerWaalsContact C-N 3.26Å; Y905-L907 PolarHBondContact O-N 3.43Å; Y905-V908 PolarHBondContact O-N 2.96Å; Y905-Q909 HydrophobicContact CD1-CG 4.29Å; Y905-Q909 HydrophobicContact CD2-CG 4.44Å; Y905-Q909 HydrophobicContact CE1-CG 3.88Å; Y905-Q909 HydrophobicContact CE2-CG 4.05Å; Y905-Q909 WeakPolarHBondContact O-CG 3.29Å; Y905-Q909 PolarHBondContact O-N 3.34Å; Y905-L941 HydrophobicContact CD1-CD2 4.08Å; Y905-L941 HydrophobicContact CD2-CD2 3.85Å; Y905-L941 HydrophobicContact CE1-CD2 4.35Å; Y905-L941 HydrophobicContact CE2-CD2 4.13Å; Y905-L941 HydrophobicContact CG-CD2 3.82Å; Y905-K944 HydrophobicContact CD2-CB 4.34Å; Y905-K944 HydrophobicContact CE2-CB 4.4Å; Y905-K944 HydrophobicContact CE2-CD 4.02Å |
| 906 | H | 93.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 11% | 0.111 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -32.7 | 175.6 | -70 | 137.3 | 0 | 0 | 0 | 113.1 | A842 E902 K903 A910 | A842-H906 PolarHBondContact O-ND1 3.36Å; E902-H906 PolarHBondContact O-N 2.98Å; E902-H906 PolarHBondContact O-ND1 2.99Å; E902-H906 IonicContact OE1-CE1 3.71Å; K903-H906 PolarHBondContact O-N 2.85Å; H906-A910 PolarHBondContact O-N 3.46Å |
| 907 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.6 | -39.7 | 174 | -92.7 | 71.2 | 0 | 0 | 0 | 112.7 | V837 A842 I846 V893 K903 A904 Y905 A910 G911 A912 V915 | V837-L907 HydrophobicContact CG2-CD1 4.35Å; A842-L907 HydrophobicContact CB-CD1 3.68Å; I846-L907 HydrophobicContact CD1-CD1 3.74Å; I846-L907 HydrophobicContact CD1-CG 3.82Å; I846-L907 HydrophobicContact CG1-CD1 4.41Å; I846-L907 HydrophobicContact CG2-CD1 4.21Å; V893-L907 HydrophobicContact CG1-CD1 3.71Å; V893-L907 HydrophobicContact CG1-CD2 4.07Å; K903-L907 VanDerWaalsContact O-CD1 3.3Å; K903-L907 WeakPolarHBondContact O-CD1 3.21Å; K903-L907 PolarHBondContact O-N 3.18Å; A904-L907 PolarHBondContact O-N 2.97Å; Y905-L907 VanDerWaalsContact C-N 3.26Å; Y905-L907 PolarHBondContact O-N 3.43Å; L907-A910 PolarHBondContact O-N 3.38Å; L907-A910 VanDerWaalsContact O-N 3.16Å; L907-G911 PolarHBondContact O-N 3.21Å; L907-A912 HydrophobicContact CB-CB 3.89Å; L907-A912 HydrophobicContact CD2-CB 4.43Å; L907-A912 HydrophobicContact CG-CB 4.29Å; L907-A912 VanDerWaalsContact O-CB 3.3Å; L907-A912 WeakPolarHBondContact O-CB 3.2Å; L907-A912 PolarHBondContact O-N 3.28Å; L907-V915 HydrophobicContact CB-CG2 4.12Å; L907-V915 HydrophobicContact CD2-CB 4.27Å; L907-V915 HydrophobicContact CD2-CG1 3.87Å; L907-V915 HydrophobicContact CD2-CG2 3.74Å |
| 908 | V | 92.7 | Very high | 92.4 | Very high | 38 Ų | 38 | 26.3 Ų | 26.3 | 23% | 0.23 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 172.3 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | A904 Y905 A910 G911 I947 | A904-V908 WeakPolarHBondContact O-CG2 3.5Å; A904-V908 PolarHBondContact O-N 2.77Å; Y905-V908 PolarHBondContact O-N 2.96Å; V908-A910 PolarHBondContact O-N 3.23Å; V908-G911 PolarHBondContact O-N 2.89Å; V908-I947 HydrophobicContact CG2-CD1 3.49Å; V908-I947 VanDerWaalsContact CG2-CD1 3.49Å; V908-I947 HydrophobicContact CG2-CG1 3.75Å |
| 909 | Q | 91.8 | Very high | 92.6 | Very high | 121 Ų | 121 | 25.1 Ų | 25.1 | 57% | 0.565 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -62.7 | -22.9 | 177.6 | -67.4 | -58.5 | -52.9 | 0 | 0 | 113.5 | Y905 | Y905-Q909 HydrophobicContact CD1-CG 4.29Å; Y905-Q909 HydrophobicContact CD2-CG 4.44Å; Y905-Q909 HydrophobicContact CE1-CG 3.88Å; Y905-Q909 HydrophobicContact CE2-CG 4.05Å; Y905-Q909 WeakPolarHBondContact O-CG 3.29Å; Y905-Q909 PolarHBondContact O-N 3.34Å |
| 910 | A | 92.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 22 Ų | 22 | 12% | 0.116 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | I846 I886 H906 L907 V908 | I846-A910 HydrophobicContact CD1-CB 3.77Å; I846-A910 HydrophobicContact CG1-CB 3.73Å; I886-A910 HydrophobicContact CG2-CB 3.59Å; I886-A910 WeakPolarHBondContact CG2-O 3.19Å; H906-A910 PolarHBondContact O-N 3.46Å; L907-A910 PolarHBondContact O-N 3.38Å; L907-A910 VanDerWaalsContact O-N 3.16Å; V908-A910 PolarHBondContact O-N 3.23Å |
| 911 | G | 92.8 | Very high | 92.4 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 32% | 0.32 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 14.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S887 G888 L907 V908 | S887-G911 WeakPolarHBondContact CA-O 3.39Å; G888-G911 PolarHBondContact N-O 3.43Å; L907-G911 PolarHBondContact O-N 3.21Å; V908-G911 PolarHBondContact O-N 2.89Å |
| 912 | A | 94.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 5% | 0.05 | 15% | 0.153 | C | C | . | . | trans | -63.1 | 142 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | I886 A889 L907 | I886-A912 HydrophobicContact CG1-CB 4.12Å; A889-A912 WeakPolarHBondContact O-CA 3.41Å; L907-A912 HydrophobicContact CB-CB 3.89Å; L907-A912 HydrophobicContact CD2-CB 4.43Å; L907-A912 HydrophobicContact CG-CB 4.29Å; L907-A912 VanDerWaalsContact O-CB 3.3Å; L907-A912 WeakPolarHBondContact O-CB 3.2Å; L907-A912 PolarHBondContact O-N 3.28Å | ||
| 913 | I | 95 | Very high | 91.8 | Very high | 51 Ų | 51 | 32.7 Ų | 32.7 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -93.2 | -9.4 | -179.4 | 55.5 | 165.3 | 0 | 0 | 0 | 113.7 | L830 G888 A889 I890 I947 P948 | L830-I913 HydrophobicContact CD1-CB 4.28Å; L830-I913 HydrophobicContact CD1-CD1 4.25Å; L830-I913 HydrophobicContact CD2-CB 4.41Å; L830-I913 HydrophobicContact CD2-CD1 4.3Å; L830-I913 HydrophobicContact CD2-CG1 4.19Å; L830-I913 WeakPolarHBondContact CD2-O 3.42Å; L830-I913 HydrophobicContact CG-CD1 4.39Å; G888-I913 WeakPolarHBondContact O-CD1 3.46Å; A889-I913 WeakPolarHBondContact O-CG1 3.5Å; A889-I913 PolarHBondContact O-N 3.05Å; I890-I913 HydrophobicContact CG1-CD1 4.36Å; I890-I913 HydrophobicContact CG1-CG1 4.15Å; I913-I947 WeakPolarHBondContact O-CB 3.33Å; I913-P948 WeakPolarHBondContact O-CD 3.42Å |
| 914 | G | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174 | 164.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I890 G891 P948 | I890-G914 WeakPolarHBondContact CA-O 3.45Å; G891-G914 PolarHBondContact N-O 2.89Å; G914-P948 CarbonylContact C-O 3.35Å; G914-P948 WeakPolarHBondContact CA-O 3.43Å |
| 915 | V | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.7 | -175.4 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | V893 A904 L907 I917 I947 P948 I949 V950 | V893-V915 HydrophobicContact CG2-CG1 3.84Å; A904-V915 HydrophobicContact CB-CG2 4.42Å; L907-V915 HydrophobicContact CB-CG2 4.12Å; L907-V915 HydrophobicContact CD2-CB 4.27Å; L907-V915 HydrophobicContact CD2-CG1 3.87Å; L907-V915 HydrophobicContact CD2-CG2 3.74Å; V915-I917 HydrophobicContact CG1-CG1 3.88Å; V915-I947 HydrophobicContact CG2-CD1 3.7Å; V915-I947 HydrophobicContact CG2-CG1 4.49Å; V915-P948 PolarHBondContact N-O 2.97Å; V915-I949 HydrophobicContact CB-CG1 4.15Å; V915-I949 HydrophobicContact CB-CG2 4.33Å; V915-I949 HydrophobicContact CG2-CG1 4.23Å; V915-I949 WeakPolarHBondContact O-CA 3.17Å; V915-V950 PolarHBondContact O-N 3.2Å; V915-V950 VanDerWaalsContact O-N 3.09Å |
| 916 | I | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 108.7 | 166.2 | -60 | 170 | 0 | 0 | 0 | 107.4 | V755 V834 I890 G891 I892 V893 V918 V950 L952 L960 V977 L979 | V755-I916 HydrophobicContact CG1-CD1 4.01Å; V755-I916 HydrophobicContact CG2-CD1 4.28Å; V755-I916 HydrophobicContact CG2-CG1 4.48Å; V834-I916 HydrophobicContact CG1-CD1 4.49Å; I890-I916 HydrophobicContact CG2-CD1 3.8Å; I890-I916 HydrophobicContact CG2-CG1 3.8Å; G891-I916 PolarHBondContact O-N 3.39Å; I892-I916 VanDerWaalsContact CA-O 3.3Å; I892-I916 WeakPolarHBondContact CA-O 3.28Å; I892-I916 HydrophobicContact CG1-CB 4.22Å; V893-I916 PolarHBondContact N-O 2.96Å; I916-V918 HydrophobicContact CG2-CG1 4.15Å; I916-V950 HydrophobicContact CB-CG2 4.37Å; I916-V950 HydrophobicContact CG1-CG2 3.93Å; I916-V950 HydrophobicContact CG2-CG2 4.41Å; I916-L952 HydrophobicContact CG2-CD1 3.83Å; I916-L952 HydrophobicContact CG2-CG 4.04Å; I916-L960 HydrophobicContact CD1-CD2 4.26Å; I916-V977 HydrophobicContact CD1-CG2 4.44Å; I916-L979 HydrophobicContact CD1-CD2 4.18Å; I916-L979 HydrophobicContact CG1-CD2 4.07Å |
| 917 | I | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 139.6 | 171.1 | -47.7 | -171.3 | 0 | 0 | 0 | 107.6 | V893 F900 V915 L934 I949 V950 L951 L952 | V893-I917 HydrophobicContact CG2-CB 4.21Å; V893-I917 HydrophobicContact CG2-CG1 3.8Å; V893-I917 HydrophobicContact CG2-CG2 4.29Å; V893-I917 CarbonylContact O-C 3.51Å; V893-I917 WeakPolarHBondContact O-CA 3.41Å; F900-I917 HydrophobicContact CB-CD1 4.07Å; F900-I917 HydrophobicContact CD1-CD1 3.65Å; F900-I917 HydrophobicContact CD1-CG2 4.26Å; F900-I917 HydrophobicContact CE1-CD1 4.48Å; F900-I917 HydrophobicContact CE1-CG2 4.22Å; F900-I917 HydrophobicContact CG-CD1 4.23Å; V915-I917 HydrophobicContact CG1-CG1 3.88Å; I917-L934 HydrophobicContact CD1-CD1 3.99Å; I917-I949 HydrophobicContact CD1-CG2 4.12Å; I917-I949 HydrophobicContact CG1-CG2 4.37Å; I917-V950 PolarHBondContact N-O 3.42Å; I917-L951 HydrophobicContact CB-CB 4.12Å; I917-L951 HydrophobicContact CB-CD1 4.28Å; I917-L951 HydrophobicContact CB-CG 4.4Å; I917-L951 HydrophobicContact CG2-CD1 3.96Å; I917-L951 CarbonylContact O-C 3.38Å; I917-L951 WeakPolarHBondContact O-CA 3.41Å; I917-L952 PolarHBondContact O-N 3.12Å |
| 918 | V | 93.5 | Very high | 89 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.1 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | W860 I892 V893 R895 I916 L952 R957 | W860-V918 HydrophobicContact CE3-CG2 3.51Å; W860-V918 HydrophobicContact CH2-CG2 4.4Å; W860-V918 HydrophobicContact CZ3-CG2 3.4Å; W860-V918 VanDerWaalsContact CZ3-CG2 3.4Å; I892-V918 HydrophobicContact CG2-CG1 3.97Å; I892-V918 HydrophobicContact CG2-CG2 4.24Å; V893-V918 PolarHBondContact O-N 3.37Å; R895-V918 WeakPolarHBondContact CB-O 3.43Å; R895-V918 PolarHBondContact N-O 2.86Å; I916-V918 HydrophobicContact CG2-CG1 4.15Å; V918-L952 HydrophobicContact CG1-CB 4.48Å; V918-R957 HydrophobicContact CB-CB 4.17Å; V918-R957 HydrophobicContact CB-CG 3.73Å; V918-R957 HydrophobicContact CG1-CB 4.19Å; V918-R957 HydrophobicContact CG1-CG 3.89Å; V918-R957 HydrophobicContact CG2-CG 4.16Å |
| 919 | D | 90.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | trans | -64.9 | 146.1 | 179.6 | -164 | 17.9 | 0 | 0 | 0 | 111.6 | R895 K921 T924 L952 L953 R957 | R895-D919 WeakPolarHBondContact CD-OD1 3.41Å; R895-D919 IonicContact CZ-OD1 3.77Å; R895-D919 IonicContact NE-OD1 3.97Å; R895-D919 IonicContact NH1-OD1 2.66Å; R895-D919 PolarHBondContact NH1-OD1 3.15Å; R895-D919 IonicContact NH1-OD2 2.74Å; D919-K921 PolarHBondContact OD1-N 2.74Å; D919-T924 WeakPolarHBondContact OD2-CB 3.47Å; D919-T924 WeakPolarHBondContact OD2-CG2 3.42Å; D919-T924 PolarHBondContact OD2-OG1 3.35Å; D919-L952 PolarHBondContact N-O 3.33Å; D919-L953 HydrophobicContact CB-CD2 4.17Å; D919-R957 PolarHBondContact O-NH1 3.33Å | ||
| 920 | N | 87.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.08 | 26% | 0.263 | C | S | . | . | trans | -110.9 | -1.2 | -179.4 | 79.2 | -49.4 | 0 | 0 | 0 | 113.1 | W860 N861 Q862 N863 R894 R895 | W860-N920 WeakPolarHBondContact O-CB 3.49Å; N861-N920 CarbonylContact C-O 3.57Å; N861-N920 VanDerWaalsContact CA-O 3.25Å; N861-N920 WeakPolarHBondContact CA-O 3.41Å; Q862-N920 PolarHBondContact O-ND2 3.25Å; N863-N920 PolarHBondContact OD1-ND2 3.16Å; R894-N920 HydrophobicContact CG-CB 4.06Å; R895-N920 HydrophobicContact CB-CB 4.38Å | ||
| 921 | K | 85 | Confident | 86 | Confident | 134 Ų | 134 | 46.7 Ų | 46.7 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -80.8 | 132.8 | 165.4 | -172.2 | -172 | 164.7 | -164.4 | 0 | 109 | D919 T924 S954 | D919-K921 PolarHBondContact OD1-N 2.74Å; K921-T924 HydrophobicContact CB-CG2 3.93Å; K921-T924 HydrophobicContact CD-CG2 3.67Å; K921-T924 HydrophobicContact CG-CG2 3.97Å; K921-T924 PolarHBondContact O-OG1 3.23Å; K921-S954 VanDerWaalsContact O-CB 3.27Å; K921-S954 WeakPolarHBondContact O-CB 3.24Å |
| 922 | P | 83.6 | Confident | 85.4 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 161.6 | 171.9 | 30.3 | -35.9 | 0 | 0 | 0 | 112.1 | T924 | P922-T924 PolarHBondContact O-N 3.15Š|
| 923 | D | 81.4 | Confident | 84.8 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 18 | 171.3 | -43 | -49.9 | 0 | 0 | 0 | 115 | S954 | D923-S954 PolarHBondContact N-OG 3.48Å; D923-S954 VanDerWaalsContact N-OG 3.12Å |
| 924 | T | 86.3 | Confident | 84.2 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | trans | -83 | 132.1 | 167.2 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | D919 K921 P922 S954 V955 | D919-T924 WeakPolarHBondContact OD2-CB 3.47Å; D919-T924 WeakPolarHBondContact OD2-CG2 3.42Å; D919-T924 PolarHBondContact OD2-OG1 3.35Å; K921-T924 HydrophobicContact CB-CG2 3.93Å; K921-T924 HydrophobicContact CD-CG2 3.67Å; K921-T924 HydrophobicContact CG-CG2 3.97Å; K921-T924 PolarHBondContact O-OG1 3.23Å; P922-T924 PolarHBondContact O-N 3.15Å; T924-S954 PolarHBondContact N-OG 3.31Å; T924-S954 PolarHBondContact O-N 3.27Å; T924-S954 PolarHBondContact O-OG 3.44Å; T924-S954 PolarHBondContact OG1-N 3.13Å; T924-S954 PolarHBondContact OG1-OG 2.86Å; T924-V955 PolarHBondContact O-N 3.23Å | ||
| 925 | S | 87 | Confident | 83.3 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | trans | -146.6 | 153.1 | 172.8 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | E927 I928 G929 L953 E956 | S925-E927 PolarHBondContact O-N 3.36Å; S925-E927 PolarHBondContact OG-N 3.13Å; S925-E927 VanDerWaalsContact OG-N 3.15Å; S925-I928 PolarHBondContact O-N 2.93Å; S925-G929 PolarHBondContact O-N 3.15Å; S925-L953 VanDerWaalsContact C-CD1 3.47Å; S925-E956 PolarHBondContact OG-OE1 3.1Å | ||
| 926 | S | 82.6 | Confident | 81.8 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.5 | 171.5 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | E956 | S926-E956 WeakPolarHBondContact CB-OE1 3.29Å; S926-E956 PolarHBondContact N-OE1 3.24Å; S926-E956 PolarHBondContact OG-OE1 2.88Å |
| 927 | E | 75.3 | Confident | 80.1 | Confident | 182 Ų | 182 | 56.5 Ų | 56.5 | 85% | 0.85 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -24.9 | 172.3 | -60.9 | -175.5 | 172.5 | 0 | 0 | 112.8 | S925 | S925-E927 PolarHBondContact O-N 3.36Å; S925-E927 PolarHBondContact OG-N 3.13Å; S925-E927 VanDerWaalsContact OG-N 3.15Å |
| 928 | I | 73.3 | Confident | 78.7 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 71% | 0.708 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -33.2 | -172.2 | -55.5 | 174.5 | 0 | 0 | 0 | 111.7 | S925 | S925-I928 PolarHBondContact O-N 2.93Š|
| 929 | G | 65.9 | Low | 77.2 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -129.6 | 152.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S925 | S925-G929 PolarHBondContact O-N 3.15Š|
| 930 | P | 69 | Low | 76.3 | Confident | 120 Ų | 120 | 69.9 Ų | 69.9 | 78% | 0.779 | 39% | 0.386 | S | S | * | . | trans | -65.3 | 136.8 | 178.9 | 27.7 | -34.6 | 0 | 0 | 0 | 111.6 | ||||
| 931 | L | 78.7 | Confident | 75.7 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | trans | -64.6 | 146.2 | 167.9 | -64.4 | 176.3 | 0 | 0 | 0 | 110.3 | V750 N752 C771 L953 | V750-L931 HydrophobicContact CG1-CB 4.27Å; N752-L931 HydrophobicContact CB-CD1 4.12Å; N752-L931 VanDerWaalsContact CG-CD1 3.43Å; N752-L931 VanDerWaalsContact ND2-CD1 3.35Å; N752-L931 WeakPolarHBondContact ND2-CD1 3.43Å; C771-L931 VanDerWaalsContact SG-CD2 3.57Å; L931-L953 HydrophobicContact CD2-CD1 4.18Å | ||
| 932 | F | 80.4 | Confident | 75.2 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | trans | -127.5 | 153.6 | 178.8 | 55.9 | -90.7 | 0 | 0 | 0 | 110.2 | C771 L934 L951 L953 | C771-F932 WeakPolarHBondContact CB-O 3.44Å; C771-F932 PolarHBondContact SG-N 2.77Å; C771-F932 VanDerWaalsContact SG-N 3.42Å; C771-F932 PolarHBondContact SG-O 2.95Å; F932-L934 HydrophobicContact CD2-CD2 4.45Å; F932-L934 HydrophobicContact CE2-CD2 3.9Å; F932-L951 HydrophobicContact CE1-CD2 4.49Å; F932-L951 HydrophobicContact CE2-CD1 4.46Å; F932-L951 HydrophobicContact CE2-CD2 4.42Å; F932-L951 HydrophobicContact CZ-CD1 4.29Å; F932-L951 HydrophobicContact CZ-CD2 3.83Å; F932-L953 HydrophobicContact CE1-CD2 4.02Å; F932-L953 HydrophobicContact CZ-CD2 4.47Å | ||
| 933 | A | 81.1 | Confident | 74.8 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 140.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | P772 H774 S935 | P772-A933 HydrophobicContact CG-CB 4.26Å; P772-A933 CarbonylContact O-C 2.77Å; P772-A933 VanDerWaalsContact O-CA 3.31Å; P772-A933 WeakPolarHBondContact O-CA 3.25Å; H774-A933 WeakPolarHBondContact NE2-CB 3.35Å; A933-S935 PolarHBondContact O-N 2.8Å |
| 934 | L | 84.1 | Confident | 74.9 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 117.7 | 171.5 | -51.7 | 171.2 | 0 | 0 | 0 | 109.1 | P772 A773 H774 F775 F900 I917 F932 I949 L951 | P772-L934 PolarHBondContact O-N 3.09Å; A773-L934 HydrophobicContact CB-CB 4.2Å; A773-L934 HydrophobicContact CB-CD1 4.14Å; H774-L934 PolarHBondContact N-O 2.8Å; F775-L934 HydrophobicContact CE1-CB 4.04Å; F900-L934 HydrophobicContact CD1-CD2 4.32Å; F900-L934 HydrophobicContact CD2-CB 4.07Å; F900-L934 HydrophobicContact CD2-CD2 3.97Å; F900-L934 HydrophobicContact CE1-CD2 4.05Å; F900-L934 HydrophobicContact CE2-CB 4.48Å; F900-L934 HydrophobicContact CE2-CD2 3.69Å; F900-L934 HydrophobicContact CG-CB 4.48Å; F900-L934 HydrophobicContact CG-CD2 4.27Å; F900-L934 HydrophobicContact CZ-CD2 3.73Å; I917-L934 HydrophobicContact CD1-CD1 3.99Å; F932-L934 HydrophobicContact CD2-CD2 4.45Å; F932-L934 HydrophobicContact CE2-CD2 3.9Å; L934-I949 HydrophobicContact CD1-CG2 4.02Å; L934-L951 HydrophobicContact CD1-CB 4Å; L934-L951 HydrophobicContact CD2-CB 3.91Å; L934-L951 HydrophobicContact CD2-CD1 3.89Å; L934-L951 HydrophobicContact CD2-CG 4.48Å; L934-L951 HydrophobicContact CG-CB 4.33Å |
| 935 | S | 75.7 | Confident | 74.9 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 154.2 | 169.1 | 69.8 | 0 | 0 | 0 | 0 | 110.8 | F775 A933 D937 | F775-S935 VanDerWaalsContact CE1-O 3.27Å; F775-S935 WeakPolarHBondContact CE1-O 3.2Å; A933-S935 PolarHBondContact O-N 2.8Å; S935-D937 WeakPolarHBondContact CB-OD1 3.43Å; S935-D937 PolarHBondContact OG-OD1 2.67Å; S935-D937 PolarHBondContact OG-OD2 2.91Å |
| 936 | G | 64.9 | Low | 74.9 | Confident | 16 Ų | 16 | 71 Ų | 71 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | trans | -138.2 | 99.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | N942 | G936-N942 PolarHBondContact O-ND2 2.71Š| ||
| 937 | D | 60.5 | Low | 75.4 | Confident | 134 Ų | 134 | 70.5 Ų | 70.5 | 72% | 0.717 | 38% | 0.375 | S | S | * | . | trans | -97.1 | 10.8 | -162.7 | -47.6 | -53.8 | 0 | 0 | 0 | 112.7 | S935 | S935-D937 WeakPolarHBondContact CB-OD1 3.43Å; S935-D937 PolarHBondContact OG-OD1 2.67Å; S935-D937 PolarHBondContact OG-OD2 2.91Å | ||
| 938 | D | 65.6 | Low | 76.2 | Confident | 65 Ų | 65 | 62 Ų | 62 | 35% | 0.348 | 34% | 0.335 | S | S | . | . | trans | -118.3 | 101.8 | 174.6 | -176.5 | -38.9 | 0 | 0 | 0 | 110 | E940 L941 N942 | D938-E940 VanDerWaalsContact C-N 3.27Å; D938-E940 PolarHBondContact O-N 2.99Å; D938-E940 WeakPolarHBondContact OD1-CA 3.37Å; D938-E940 PolarHBondContact OD1-N 2.69Å; D938-L941 HydrophobicContact CB-CB 4.28Å; D938-L941 HydrophobicContact CB-CD1 4.41Å; D938-L941 PolarHBondContact O-N 3.28Å; D938-L941 PolarHBondContact OD1-N 2.75Å; D938-L941 WeakPolarHBondContact OD2-CD1 3.44Å; D938-N942 VanDerWaalsContact O-CB 3.28Å; D938-N942 WeakPolarHBondContact O-CB 3.41Å; D938-N942 PolarHBondContact O-N 3.44Å; D938-N942 PolarHBondContact O-ND2 3.33Å | ||
| 939 | D | 62.4 | Low | 77.2 | Confident | 117 Ų | 117 | 55.7 Ų | 55.7 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.3 | -27 | -179.4 | -85.5 | -23.3 | 0 | 0 | 0 | 114.1 | K943 | D939-K943 WeakPolarHBondContact O-CD 3.43Å; D939-K943 WeakPolarHBondContact O-CE 3.48Å; D939-K943 WeakPolarHBondContact O-CG 3.5Å; D939-K943 PolarHBondContact O-N 3.27Å |
| 940 | E | 72.2 | Confident | 78.6 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -82.9 | -30.1 | -178.3 | -82.3 | -59.4 | 122.5 | 0 | 0 | 112.7 | D938 K943 K944 | D938-E940 VanDerWaalsContact C-N 3.27Å; D938-E940 PolarHBondContact O-N 2.99Å; D938-E940 WeakPolarHBondContact OD1-CA 3.37Å; D938-E940 PolarHBondContact OD1-N 2.69Å; E940-K943 IonicContact OE1-NZ 2.7Å; E940-K943 PolarHBondContact OE1-NZ 3.46Å; E940-K944 WeakPolarHBondContact O-CD 3.31Å; E940-K944 VanDerWaalsContact O-CE 3.26Å; E940-K944 WeakPolarHBondContact O-CE 3.11Å; E940-K944 PolarHBondContact O-NZ 3.18Å; E940-K944 IonicContact OE2-NZ 3.55Å |
| 941 | L | 74.9 | Confident | 79.8 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -80.1 | -39 | 168.4 | -71 | 173.5 | 0 | 0 | 0 | 111.6 | V901 Y905 D938 K943 K944 I945 | V901-L941 HydrophobicContact CG1-CB 3.38Å; V901-L941 HydrophobicContact CG1-CD1 4.33Å; Y905-L941 HydrophobicContact CD1-CD2 4.08Å; Y905-L941 HydrophobicContact CD2-CD2 3.85Å; Y905-L941 HydrophobicContact CE1-CD2 4.35Å; Y905-L941 HydrophobicContact CE2-CD2 4.13Å; Y905-L941 HydrophobicContact CG-CD2 3.82Å; D938-L941 HydrophobicContact CB-CB 4.28Å; D938-L941 HydrophobicContact CB-CD1 4.41Å; D938-L941 PolarHBondContact O-N 3.28Å; D938-L941 PolarHBondContact OD1-N 2.75Å; D938-L941 WeakPolarHBondContact OD2-CD1 3.44Å; L941-K943 VanDerWaalsContact C-N 3.28Å; L941-K943 PolarHBondContact O-N 2.61Å; L941-K944 WeakPolarHBondContact O-CB 3.3Å; L941-K944 PolarHBondContact O-N 2.85Å; L941-I945 WeakPolarHBondContact O-CG1 3.35Å |
| 942 | N | 73.6 | Confident | 80.6 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.4 | -46.2 | 175.6 | -79.6 | -22.7 | 0 | 0 | 0 | 112.1 | F775 V901 G936 D938 K944 I945 | F775-N942 WeakPolarHBondContact CB-OD1 3.27Å; V901-N942 WeakPolarHBondContact CG2-OD1 3.32Å; G936-N942 PolarHBondContact O-ND2 2.71Å; D938-N942 VanDerWaalsContact O-CB 3.28Å; D938-N942 WeakPolarHBondContact O-CB 3.41Å; D938-N942 PolarHBondContact O-N 3.44Å; D938-N942 PolarHBondContact O-ND2 3.33Å; N942-K944 PolarHBondContact O-N 3.26Å; N942-I945 PolarHBondContact O-N 3.38Å; N942-I945 VanDerWaalsContact O-N 3.13Å |
| 943 | K | 76.9 | Confident | 81.2 | Confident | 113 Ų | 113 | 44.7 Ų | 44.7 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -16.7 | 178.2 | -73.2 | 163 | -159 | 172.3 | 0 | 114.5 | D939 E940 L941 H946 | D939-K943 WeakPolarHBondContact O-CD 3.43Å; D939-K943 WeakPolarHBondContact O-CE 3.48Å; D939-K943 WeakPolarHBondContact O-CG 3.5Å; D939-K943 PolarHBondContact O-N 3.27Å; E940-K943 IonicContact OE1-NZ 2.7Å; E940-K943 PolarHBondContact OE1-NZ 3.46Å; L941-K943 VanDerWaalsContact C-N 3.28Å; L941-K943 PolarHBondContact O-N 2.61Å; K943-H946 PolarHBondContact O-CE1 3.38Å; K943-H946 PolarHBondContact O-NE2 2.68Å |
| 944 | K | 83.3 | Confident | 81.6 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 39% | 0.391 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -0.3 | -176.6 | -60.3 | 168.1 | -175.7 | 126 | 0 | 113 | Y905 E940 L941 N942 | Y905-K944 HydrophobicContact CD2-CB 4.34Å; Y905-K944 HydrophobicContact CE2-CB 4.4Å; Y905-K944 HydrophobicContact CE2-CD 4.02Å; E940-K944 WeakPolarHBondContact O-CD 3.31Å; E940-K944 VanDerWaalsContact O-CE 3.26Å; E940-K944 WeakPolarHBondContact O-CE 3.11Å; E940-K944 PolarHBondContact O-NZ 3.18Å; E940-K944 IonicContact OE2-NZ 3.55Å; L941-K944 WeakPolarHBondContact O-CB 3.3Å; L941-K944 PolarHBondContact O-N 2.85Å; N942-K944 PolarHBondContact O-N 3.26Å |
| 945 | I | 85.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -109.8 | 104.8 | -172.6 | -61.3 | 167.3 | 0 | 0 | 0 | 109.5 | F775 V901 A904 L941 N942 I947 I949 | F775-I945 HydrophobicContact CD2-CD1 3.96Å; F775-I945 HydrophobicContact CD2-CG2 4.36Å; F775-I945 HydrophobicContact CE2-CD1 4.24Å; V901-I945 HydrophobicContact CB-CD1 4.43Å; V901-I945 HydrophobicContact CG1-CD1 3.6Å; V901-I945 WeakPolarHBondContact O-CD1 3.39Å; A904-I945 HydrophobicContact CB-CD1 4.06Å; A904-I945 HydrophobicContact CB-CG2 4.32Å; L941-I945 WeakPolarHBondContact O-CG1 3.35Å; N942-I945 PolarHBondContact O-N 3.38Å; N942-I945 VanDerWaalsContact O-N 3.13Å; I945-I947 HydrophobicContact CG2-CG1 4.37Å; I945-I949 HydrophobicContact CG2-CD1 3.66Å | ||
| 946 | H | 87 | Confident | 82.8 | Confident | 113 Ų | 113 | 43.9 Ų | 43.9 | 52% | 0.523 | 22% | 0.223 | S | C | . | . | trans | -118.3 | 30.6 | -176.1 | -52.3 | -46.4 | 0 | 0 | 0 | 112.8 | K943 | K943-H946 PolarHBondContact O-CE1 3.38Å; K943-H946 PolarHBondContact O-NE2 2.68Å | ||
| 947 | I | 92.6 | Very high | 84.1 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -123.7 | 156.1 | 179.3 | 62.2 | 173.1 | 0 | 0 | 0 | 111.2 | G776 L777 V908 I913 V915 I945 | G776-I947 CarbonylContact C-O 3.51Å; G776-I947 WeakPolarHBondContact CA-O 3.46Å; L777-I947 PolarHBondContact N-O 3.32Å; L777-I947 VanDerWaalsContact N-O 3.13Å; L777-I947 CarbonylContact O-C 3.58Å; V908-I947 HydrophobicContact CG2-CD1 3.49Å; V908-I947 VanDerWaalsContact CG2-CD1 3.49Å; V908-I947 HydrophobicContact CG2-CG1 3.75Å; I913-I947 WeakPolarHBondContact O-CB 3.33Å; V915-I947 HydrophobicContact CG2-CD1 3.7Å; V915-I947 HydrophobicContact CG2-CG1 4.49Å; I945-I947 HydrophobicContact CG2-CG1 4.37Å |
| 948 | P | 93.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | trans | -69 | 141.9 | 177 | -19.4 | 32.5 | 0 | 0 | 0 | 112.4 | L777 F778 L830 I913 G914 V915 L979 | L777-P948 WeakPolarHBondContact O-CD 3.34Å; L777-P948 VanDerWaalsContact O-N 3.13Å; F778-P948 HydrophobicContact CD1-CB 4.38Å; F778-P948 HydrophobicContact CD1-CG 4.22Å; F778-P948 HydrophobicContact CD2-CB 4.08Å; F778-P948 HydrophobicContact CD2-CG 4.36Å; F778-P948 HydrophobicContact CE1-CB 4.15Å; F778-P948 HydrophobicContact CE1-CG 4.4Å; F778-P948 HydrophobicContact CE2-CB 3.85Å; F778-P948 HydrophobicContact CG-CB 4.36Å; F778-P948 HydrophobicContact CG-CG 4.21Å; F778-P948 HydrophobicContact CZ-CB 3.89Å; L830-P948 HydrophobicContact CB-CG 3.92Å; L830-P948 HydrophobicContact CD2-CG 4.01Å; L830-P948 HydrophobicContact CG-CG 4.41Å; I913-P948 WeakPolarHBondContact O-CD 3.42Å; G914-P948 CarbonylContact C-O 3.35Å; G914-P948 WeakPolarHBondContact CA-O 3.43Å; V915-P948 PolarHBondContact N-O 2.97Å; P948-L979 HydrophobicContact CB-CD1 4.05Å | ||
| 949 | I | 94 | Very high | 86.9 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.7 | 179.8 | -56 | 172.9 | 0 | 0 | 0 | 109.1 | A773 F775 A904 V915 I917 L934 I945 | A773-I949 HydrophobicContact CB-CB 3.79Å; A773-I949 HydrophobicContact CB-CG2 3.95Å; F775-I949 HydrophobicContact CD2-CD1 3.65Å; F775-I949 HydrophobicContact CE2-CD1 3.31Å; F775-I949 HydrophobicContact CZ-CD1 4.12Å; A904-I949 HydrophobicContact CB-CD1 3.43Å; A904-I949 VanDerWaalsContact CB-CD1 3.43Å; A904-I949 HydrophobicContact CB-CG1 4.4Å; V915-I949 HydrophobicContact CB-CG1 4.15Å; V915-I949 HydrophobicContact CB-CG2 4.33Å; V915-I949 HydrophobicContact CG2-CG1 4.23Å; V915-I949 WeakPolarHBondContact O-CA 3.17Å; I917-I949 HydrophobicContact CD1-CG2 4.12Å; I917-I949 HydrophobicContact CG1-CG2 4.37Å; L934-I949 HydrophobicContact CD1-CG2 4.02Å; I945-I949 HydrophobicContact CG2-CD1 3.66Å |
| 950 | V | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 158.4 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | R753 V755 A770 C771 V915 I916 I917 L979 | R753-V950 HydrophobicContact CB-CB 4.42Å; R753-V950 HydrophobicContact CB-CG1 3.49Å; R753-V950 VanDerWaalsContact CB-CG1 3.49Å; R753-V950 HydrophobicContact CG-CG1 3.99Å; V755-V950 HydrophobicContact CG2-CG2 3.93Å; A770-V950 HydrophobicContact CB-CB 3.89Å; A770-V950 HydrophobicContact CB-CG2 4.23Å; C771-V950 CarbonylContact O-C 3.51Å; C771-V950 WeakPolarHBondContact O-CA 3.49Å; V915-V950 PolarHBondContact O-N 3.2Å; V915-V950 VanDerWaalsContact O-N 3.09Å; I916-V950 HydrophobicContact CB-CG2 4.37Å; I916-V950 HydrophobicContact CG1-CG2 3.93Å; I916-V950 HydrophobicContact CG2-CG2 4.41Å; I917-V950 PolarHBondContact N-O 3.42Å; V950-L979 HydrophobicContact CG2-CD2 4.14Å |
| 951 | L | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.8 | 166.4 | 173.7 | 151.2 | 0 | 0 | 0 | 111.9 | A770 C771 F900 I917 F932 L934 L953 | A770-L951 CarbonylContact C-O 3.56Å; A770-L951 VanDerWaalsContact CA-O 3.3Å; A770-L951 WeakPolarHBondContact CA-O 2.8Å; A770-L951 WeakPolarHBondContact CB-O 3.46Å; C771-L951 HydrophobicContact CB-CB 3.93Å; C771-L951 HydrophobicContact CB-CD2 4.02Å; C771-L951 WeakPolarHBondContact CB-O 3.47Å; C771-L951 PolarHBondContact N-O 2.95Å; C771-L951 PolarHBondContact O-N 2.86Å; F900-L951 HydrophobicContact CE1-CD1 4.36Å; I917-L951 HydrophobicContact CB-CB 4.12Å; I917-L951 HydrophobicContact CB-CD1 4.28Å; I917-L951 HydrophobicContact CB-CG 4.4Å; I917-L951 HydrophobicContact CG2-CD1 3.96Å; I917-L951 CarbonylContact O-C 3.38Å; I917-L951 WeakPolarHBondContact O-CA 3.41Å; F932-L951 HydrophobicContact CE1-CD2 4.49Å; F932-L951 HydrophobicContact CE2-CD1 4.46Å; F932-L951 HydrophobicContact CE2-CD2 4.42Å; F932-L951 HydrophobicContact CZ-CD1 4.29Å; F932-L951 HydrophobicContact CZ-CD2 3.83Å; L934-L951 HydrophobicContact CD1-CB 4Å; L934-L951 HydrophobicContact CD2-CB 3.91Å; L934-L951 HydrophobicContact CD2-CD1 3.89Å; L934-L951 HydrophobicContact CD2-CG 4.48Å; L934-L951 HydrophobicContact CG-CB 4.33Å; L951-L953 HydrophobicContact CD2-CD2 3.82Å; L951-L953 HydrophobicContact CD2-CG 4.35Å |
| 952 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 141 | 167.8 | -68.2 | 175.9 | 0 | 0 | 0 | 110.4 | V755 F768 A770 I916 I917 V918 D919 E956 L960 | V755-L952 HydrophobicContact CG2-CD1 4.22Å; V755-L952 HydrophobicContact CG2-CD2 4.03Å; V755-L952 HydrophobicContact CG2-CG 4.25Å; F768-L952 HydrophobicContact CB-CD2 3.78Å; A770-L952 HydrophobicContact CB-CD2 3.75Å; I916-L952 HydrophobicContact CG2-CD1 3.83Å; I916-L952 HydrophobicContact CG2-CG 4.04Å; I917-L952 PolarHBondContact O-N 3.12Å; V918-L952 HydrophobicContact CG1-CB 4.48Å; D919-L952 PolarHBondContact N-O 3.33Å; L952-E956 HydrophobicContact CD2-CB 4.08Å; L952-L960 HydrophobicContact CD1-CB 4.46Å; L952-L960 HydrophobicContact CD1-CD2 3.62Å |
| 953 | L | 92.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | trans | -80.5 | 170.4 | 171.3 | -62.1 | 172.6 | 0 | 0 | 0 | 110 | D919 S925 L931 F932 L951 V955 E956 R957 | D919-L953 HydrophobicContact CB-CD2 4.17Å; S925-L953 VanDerWaalsContact C-CD1 3.47Å; L931-L953 HydrophobicContact CD2-CD1 4.18Å; F932-L953 HydrophobicContact CE1-CD2 4.02Å; F932-L953 HydrophobicContact CZ-CD2 4.47Å; L951-L953 HydrophobicContact CD2-CD2 3.82Å; L951-L953 HydrophobicContact CD2-CG 4.35Å; L953-V955 PolarHBondContact O-N 3.14Å; L953-E956 WeakPolarHBondContact CB-OE2 3.42Å; L953-E956 PolarHBondContact O-N 2.87Å; L953-R957 WeakPolarHBondContact O-CB 3.14Å; L953-R957 PolarHBondContact O-N 3.3Å | ||
| 954 | S | 91.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -34.3 | -163.6 | 69.5 | 0 | 0 | 0 | 0 | 115.1 | K921 D923 T924 R957 D958 | K921-S954 VanDerWaalsContact O-CB 3.27Å; K921-S954 WeakPolarHBondContact O-CB 3.24Å; D923-S954 PolarHBondContact N-OG 3.48Å; D923-S954 VanDerWaalsContact N-OG 3.12Å; T924-S954 PolarHBondContact N-OG 3.31Å; T924-S954 PolarHBondContact O-N 3.27Å; T924-S954 PolarHBondContact O-OG 3.44Å; T924-S954 PolarHBondContact OG1-N 3.13Å; T924-S954 PolarHBondContact OG1-OG 2.86Å; S954-R957 WeakPolarHBondContact O-CB 3.31Å; S954-R957 PolarHBondContact O-NE 2.68Å; S954-D958 VanDerWaalsContact O-CG 3.31Å; S954-D958 PolarHBondContact O-N 2.88Å; S954-D958 VanDerWaalsContact O-N 3.08Å |
| 955 | V | 90.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 27.8 Ų | 27.8 | 32% | 0.315 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -72 | -47.7 | 179.8 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | T924 L953 R957 D958 Q959 | T924-V955 PolarHBondContact O-N 3.23Å; L953-V955 PolarHBondContact O-N 3.14Å; V955-R957 VanDerWaalsContact C-N 3.33Å; V955-R957 PolarHBondContact O-N 2.97Å; V955-D958 PolarHBondContact O-N 2.91Å; V955-Q959 WeakPolarHBondContact O-CG 3.38Å; V955-Q959 PolarHBondContact O-N 3.47Å |
| 956 | E | 93.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.6 | -34.8 | 178.6 | -60.9 | 82.2 | 176.6 | 0 | 0 | 111.7 | F768 S925 S926 L952 L953 L960 | F768-E956 HydrophobicContact CB-CB 4.14Å; F768-E956 HydrophobicContact CB-CG 4.42Å; F768-E956 HydrophobicContact CD1-CB 4.15Å; F768-E956 HydrophobicContact CD1-CG 4.45Å; F768-E956 HydrophobicContact CG-CB 4.37Å; S925-E956 PolarHBondContact OG-OE1 3.1Å; S926-E956 WeakPolarHBondContact CB-OE1 3.29Å; S926-E956 PolarHBondContact N-OE1 3.24Å; S926-E956 PolarHBondContact OG-OE1 2.88Å; L952-E956 HydrophobicContact CD2-CB 4.08Å; L953-E956 WeakPolarHBondContact CB-OE2 3.42Å; L953-E956 PolarHBondContact O-N 2.87Å; E956-L960 WeakPolarHBondContact O-CB 3.12Å; E956-L960 PolarHBondContact O-N 2.95Å |
| 957 | R | 93 | Very high | 92.6 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.2 | -55.5 | 167.8 | 167.6 | -161 | 80 | -169.4 | 5.3 | 110.5 | N861 V918 D919 L953 S954 V955 Q959 L960 L961 | N861-R957 PolarHBondContact OD1-NH1 3.14Å; N861-R957 PolarHBondContact OD1-NH2 2.85Å; V918-R957 HydrophobicContact CB-CB 4.17Å; V918-R957 HydrophobicContact CB-CG 3.73Å; V918-R957 HydrophobicContact CG1-CB 4.19Å; V918-R957 HydrophobicContact CG1-CG 3.89Å; V918-R957 HydrophobicContact CG2-CG 4.16Å; D919-R957 PolarHBondContact O-NH1 3.33Å; L953-R957 WeakPolarHBondContact O-CB 3.14Å; L953-R957 PolarHBondContact O-N 3.3Å; S954-R957 WeakPolarHBondContact O-CB 3.31Å; S954-R957 PolarHBondContact O-NE 2.68Å; V955-R957 VanDerWaalsContact C-N 3.33Å; V955-R957 PolarHBondContact O-N 2.97Å; R957-Q959 VanDerWaalsContact C-N 3.32Å; R957-Q959 PolarHBondContact O-N 2.89Å; R957-L960 PolarHBondContact O-N 2.88Å; R957-L961 HydrophobicContact CG-CD1 3.94Å; R957-L961 HydrophobicContact CG-CG 4.41Å; R957-L961 WeakPolarHBondContact O-CG 3.27Å; R957-L961 PolarHBondContact O-N 3.24Å |
| 958 | D | 91.8 | Very high | 92.4 | Very high | 60 Ų | 60 | 25.7 Ų | 25.7 | 32% | 0.321 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -70.1 | -30.9 | -172.9 | -69.7 | -16.8 | 0 | 0 | 0 | 112.1 | S954 V955 N962 | S954-D958 VanDerWaalsContact O-CG 3.31Å; S954-D958 PolarHBondContact O-N 2.88Å; S954-D958 VanDerWaalsContact O-N 3.08Å; V955-D958 PolarHBondContact O-N 2.91Å; D958-N962 WeakPolarHBondContact O-CB 3.47Å; D958-N962 PolarHBondContact O-N 2.87Å; D958-N962 VanDerWaalsContact O-N 3.11Å; D958-N962 PolarHBondContact O-ND2 3.3Å |
| 959 | Q | 92.8 | Very high | 92.1 | Very high | 94 Ų | 94 | 30.6 Ų | 30.6 | 44% | 0.439 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.3 | -50.5 | 168 | -69 | 170.5 | -0.5 | 0 | 0 | 111.7 | F768 V955 R957 L961 N962 L963 | F768-Q959 HydrophobicContact CD1-CB 4.45Å; F768-Q959 HydrophobicContact CE1-CB 3.58Å; F768-Q959 VanDerWaalsContact CE1-OE1 3.26Å; F768-Q959 HydrophobicContact CZ-CB 4Å; V955-Q959 WeakPolarHBondContact O-CG 3.38Å; V955-Q959 PolarHBondContact O-N 3.47Å; R957-Q959 VanDerWaalsContact C-N 3.32Å; R957-Q959 PolarHBondContact O-N 2.89Å; Q959-L961 PolarHBondContact O-N 3.5Å; Q959-N962 PolarHBondContact O-N 2.92Å; Q959-L963 WeakPolarHBondContact O-CG 3.31Å; Q959-L963 PolarHBondContact O-N 2.78Å |
| 960 | L | 94.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 178.3 | 177.1 | 62 | 0 | 0 | 0 | 112.4 | V755 F768 I892 I916 L952 E956 R957 N962 L963 M964 L975 V977 | V755-L960 HydrophobicContact CG1-CD2 4.28Å; F768-L960 HydrophobicContact CD2-CB 4.3Å; F768-L960 HydrophobicContact CE2-CB 3.9Å; F768-L960 HydrophobicContact CE2-CD1 4Å; F768-L960 HydrophobicContact CE2-CG 4.5Å; F768-L960 HydrophobicContact CZ-CB 4.37Å; I892-L960 HydrophobicContact CD1-CD2 4.37Å; I916-L960 HydrophobicContact CD1-CD2 4.26Å; L952-L960 HydrophobicContact CD1-CB 4.46Å; L952-L960 HydrophobicContact CD1-CD2 3.62Å; E956-L960 WeakPolarHBondContact O-CB 3.12Å; E956-L960 PolarHBondContact O-N 2.95Å; R957-L960 PolarHBondContact O-N 2.88Å; L960-N962 VanDerWaalsContact C-N 3.31Å; L960-N962 PolarHBondContact O-N 3.17Å; L960-L963 PolarHBondContact O-N 3.19Å; L960-M964 HydrophobicContact CD1-CG 4.37Å; L960-M964 HydrophobicContact CD1-SD 4.47Å; L960-M964 HydrophobicContact CG-SD 4.14Å; L960-M964 WeakPolarHBondContact O-CG 3.49Å; L960-M964 PolarHBondContact O-N 3.48Å; L960-L975 HydrophobicContact CD1-CD2 4.26Å; L960-V977 HydrophobicContact CD1-CG1 4.27Å |
| 961 | L | 92.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -35.1 | -179.5 | -66.1 | -178.6 | 0 | 0 | 0 | 112.3 | P854 W860 I892 R957 Q959 M964 R965 | P854-L961 HydrophobicContact CG-CB 4.39Å; P854-L961 HydrophobicContact CG-CD1 4.25Å; P854-L961 HydrophobicContact CG-CD2 3.99Å; P854-L961 HydrophobicContact CG-CG 4.43Å; W860-L961 HydrophobicContact CD2-CD1 4.28Å; W860-L961 HydrophobicContact CZ2-CD1 3.99Å; I892-L961 HydrophobicContact CD1-CD2 3.84Å; R957-L961 HydrophobicContact CG-CD1 3.94Å; R957-L961 HydrophobicContact CG-CG 4.41Å; R957-L961 WeakPolarHBondContact O-CG 3.27Å; R957-L961 PolarHBondContact O-N 3.24Å; Q959-L961 PolarHBondContact O-N 3.5Å; L961-M964 HydrophobicContact CD2-SD 4.04Å; L961-R965 PolarHBondContact O-N 3.36Å; L961-R965 VanDerWaalsContact O-N 3.14Å |
| 962 | N | 91.5 | Very high | 91.1 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 46% | 0.46 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 173.5 | -77.6 | -45.7 | 0 | 0 | 0 | 112.2 | D958 Q959 L960 R965 S966 | D958-N962 WeakPolarHBondContact O-CB 3.47Å; D958-N962 PolarHBondContact O-N 2.87Å; D958-N962 VanDerWaalsContact O-N 3.11Å; D958-N962 PolarHBondContact O-ND2 3.3Å; Q959-N962 PolarHBondContact O-N 2.92Å; L960-N962 VanDerWaalsContact C-N 3.31Å; L960-N962 PolarHBondContact O-N 3.17Å; N962-R965 PolarHBondContact O-N 3.2Å; N962-S966 WeakPolarHBondContact O-CB 3.19Å; N962-S966 PolarHBondContact O-N 3.26Å; N962-S966 PolarHBondContact O-OG 3.34Å |
| 963 | L | 92.3 | Very high | 90.8 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 172.7 | -70.8 | 178.5 | 0 | 0 | 0 | 112 | V757 I766 F768 Q959 L960 R965 S966 H967 L975 | V757-L963 HydrophobicContact CG2-CD1 3.99Å; I766-L963 HydrophobicContact CG2-CD1 4.19Å; F768-L963 HydrophobicContact CE2-CD1 4.3Å; F768-L963 HydrophobicContact CZ-CD1 3.83Å; Q959-L963 WeakPolarHBondContact O-CG 3.31Å; Q959-L963 PolarHBondContact O-N 2.78Å; L960-L963 PolarHBondContact O-N 3.19Å; L963-R965 PolarHBondContact O-N 2.94Å; L963-S966 PolarHBondContact O-N 3.19Å; L963-H967 VanDerWaalsContact O-CB 3.3Å; L963-H967 WeakPolarHBondContact O-CB 3.43Å; L963-H967 PolarHBondContact O-N 2.93Å; L963-L975 HydrophobicContact CB-CD2 4.12Å |
| 964 | M | 93.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | 176.1 | -70.9 | 171.1 | 65.8 | 0 | 0 | 112 | V834 V836 A852 I892 L960 L961 W968 L975 | V834-M964 HydrophobicContact CB-CE 4.02Å; V834-M964 HydrophobicContact CB-SD 4.31Å; V834-M964 HydrophobicContact CG1-CE 3.69Å; V834-M964 HydrophobicContact CG1-SD 3.87Å; V836-M964 HydrophobicContact CG2-CE 4.27Å; A852-M964 WeakPolarHBondContact O-CE 3.47Å; I892-M964 HydrophobicContact CD1-CE 3.98Å; I892-M964 HydrophobicContact CD1-SD 3.6Å; I892-M964 VanDerWaalsContact CD1-SD 3.6Å; L960-M964 HydrophobicContact CD1-CG 4.37Å; L960-M964 HydrophobicContact CD1-SD 4.47Å; L960-M964 HydrophobicContact CG-SD 4.14Å; L960-M964 WeakPolarHBondContact O-CG 3.49Å; L960-M964 PolarHBondContact O-N 3.48Å; L961-M964 HydrophobicContact CD2-SD 4.04Å; M964-W968 WeakPolarHBondContact O-CB 3.25Å; M964-W968 PolarHBondContact O-N 3.14Å; M964-L975 HydrophobicContact CG-CB 4.19Å; M964-L975 HydrophobicContact CG-CD2 3.92Å |
| 965 | R | 90 | Very high | 90.9 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.5 | -173.4 | -179.3 | -68.1 | 150.8 | -0.9 | 112.2 | Y853 P854 S855 L961 N962 L963 N969 | Y853-R965 HydrophobicContact CD2-CB 4.35Å; Y853-R965 HydrophobicContact CD2-CG 4.09Å; P854-R965 PolarHBondContact O-NH2 2.89Å; S855-R965 PolarHBondContact O-NH2 3.49Å; L961-R965 PolarHBondContact O-N 3.36Å; L961-R965 VanDerWaalsContact O-N 3.14Å; N962-R965 PolarHBondContact O-N 3.2Å; L963-R965 PolarHBondContact O-N 2.94Å; R965-N969 VanDerWaalsContact O-CG 3.28Å; R965-N969 PolarHBondContact O-N 3.42Å; R965-N969 PolarHBondContact O-ND2 2.99Å |
| 966 | S | 88.8 | Confident | 91.1 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | -179.4 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | N962 L963 N969 Q970 | N962-S966 WeakPolarHBondContact O-CB 3.19Å; N962-S966 PolarHBondContact O-N 3.26Å; N962-S966 PolarHBondContact O-OG 3.34Å; L963-S966 PolarHBondContact O-N 3.19Å; S966-N969 PolarHBondContact O-N 3.32Å; S966-Q970 WeakPolarHBondContact O-CG 3.35Å; S966-Q970 PolarHBondContact O-N 3.5Å |
| 967 | H | 90.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 176.8 | -178.3 | 96.7 | 0 | 0 | 0 | 111.2 | D759 L963 N969 Q970 T971 Q973 L975 | D759-H967 IonicContact OD2-CE1 3.98Å; D759-H967 IonicContact OD2-NE2 3.66Å; L963-H967 VanDerWaalsContact O-CB 3.3Å; L963-H967 WeakPolarHBondContact O-CB 3.43Å; L963-H967 PolarHBondContact O-N 2.93Å; H967-N969 VanDerWaalsContact C-N 3.3Å; H967-N969 PolarHBondContact O-N 3.23Å; H967-Q970 PolarHBondContact O-N 2.98Å; H967-T971 PolarHBondContact CD2-OG1 3.45Å; H967-T971 PolarHBondContact NE2-OG1 3.37Å; H967-T971 PolarHBondContact O-N 2.85Å; H967-T971 PolarHBondContact O-OG1 2.95Å; H967-T971 VanDerWaalsContact O-OG1 3.05Å; H967-Q973 PolarHBondContact CD2-O 2.94Å; H967-L975 HydrophobicContact CB-CB 4.43Å; H967-L975 HydrophobicContact CB-CD1 3.86Å |
| 968 | W | 89.4 | Confident | 91.3 | Very high | 18 Ų | 18 | 49 Ų | 49 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55 | -45.4 | 177.3 | -180 | -88.2 | 0 | 0 | 0 | 112 | A852 Y853 M964 Q970 T971 N972 Q973 | A852-W968 HydrophobicContact CB-CD2 4.23Å; A852-W968 HydrophobicContact CB-CE3 3.4Å; A852-W968 VanDerWaalsContact CB-CE3 3.4Å; A852-W968 HydrophobicContact CB-CZ3 3.69Å; Y853-W968 HydrophobicContact CD1-CB 3.87Å; Y853-W968 AromaticContact CD1-CD1 3.76Å; Y853-W968 HydrophobicContact CD1-CD2 4.17Å; Y853-W968 AromaticContact CD1-CG 3.6Å; Y853-W968 HydrophobicContact CD1-CG 3.6Å; Y853-W968 HydrophobicContact CE1-CB 4.39Å; Y853-W968 AromaticContact CE1-CD1 3.4Å; Y853-W968 HydrophobicContact CE1-CD2 4.27Å; Y853-W968 AromaticContact CE1-CG 3.74Å; Y853-W968 HydrophobicContact CE1-CG 3.74Å; Y853-W968 AromaticContact CE1-NE1 3.78Å; M964-W968 WeakPolarHBondContact O-CB 3.25Å; M964-W968 PolarHBondContact O-N 3.14Å; W968-Q970 PolarHBondContact O-N 2.87Å; W968-T971 PolarHBondContact O-N 2.95Å; W968-N972 WeakPolarHBondContact CH2-O 3.33Å; W968-N972 HydrophobicContact CZ2-CB 4.48Å; W968-N972 VanDerWaalsContact O-CA 3.29Å; W968-N972 WeakPolarHBondContact O-CA 3.18Å; W968-N972 PolarHBondContact O-N 3.05Å; W968-Q973 VanDerWaalsContact CE3-C 3.42Å; W968-Q973 VanDerWaalsContact CE3-O 3.29Å |
| 969 | N | 86.7 | Confident | 91.5 | Very high | 105 Ų | 105 | 46.1 Ų | 46.1 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.4 | -18.9 | 178.4 | -72.3 | -12.4 | 0 | 0 | 0 | 114 | R965 S966 H967 | R965-N969 VanDerWaalsContact O-CG 3.28Å; R965-N969 PolarHBondContact O-N 3.42Å; R965-N969 PolarHBondContact O-ND2 2.99Å; S966-N969 PolarHBondContact O-N 3.32Å; H967-N969 VanDerWaalsContact C-N 3.3Å; H967-N969 PolarHBondContact O-N 3.23Å |
| 970 | Q | 84.7 | Confident | 91.5 | Very high | 147 Ų | 147 | 41.6 Ų | 41.6 | 69% | 0.687 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -98.6 | -35.4 | 179.6 | -69.1 | 172.7 | 5.9 | 0 | 0 | 112.9 | S966 H967 W968 | S966-Q970 WeakPolarHBondContact O-CG 3.35Å; S966-Q970 PolarHBondContact O-N 3.5Å; H967-Q970 PolarHBondContact O-N 2.98Å; W968-Q970 PolarHBondContact O-N 2.87Å |
| 971 | T | 87.5 | Confident | 91.3 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 36% | 0.362 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -113.1 | -18.2 | -171.1 | 67 | 0 | 0 | 0 | 0 | 114.4 | H967 W968 Q973 | H967-T971 PolarHBondContact CD2-OG1 3.45Å; H967-T971 PolarHBondContact NE2-OG1 3.37Å; H967-T971 PolarHBondContact O-N 2.85Å; H967-T971 PolarHBondContact O-OG1 2.95Å; H967-T971 VanDerWaalsContact O-OG1 3.05Å; W968-T971 PolarHBondContact O-N 2.95Å; T971-Q973 PolarHBondContact O-N 3.1Å; T971-Q973 PolarHBondContact OG1-N 2.79Å; T971-Q973 VanDerWaalsContact OG1-N 3.08Å; T971-Q973 PolarHBondContact OG1-O 2.66Å |
| 972 | N | 89 | Confident | 90.9 | Very high | 93 Ų | 93 | 47.2 Ų | 47.2 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 50.2 | 33.2 | -163.2 | -67.1 | -62.9 | 0 | 0 | 0 | 113.2 | W968 | W968-N972 WeakPolarHBondContact CH2-O 3.33Å; W968-N972 HydrophobicContact CZ2-CB 4.48Å; W968-N972 VanDerWaalsContact O-CA 3.29Å; W968-N972 WeakPolarHBondContact O-CA 3.18Å; W968-N972 PolarHBondContact O-N 3.05Å |
| 973 | Q | 89.3 | Confident | 90.7 | Very high | 120 Ų | 120 | 45.7 Ų | 45.7 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -128.3 | 154.4 | 176.2 | -66 | -62.1 | -70.7 | 0 | 0 | 110.6 | H967 W968 T971 | H967-Q973 PolarHBondContact CD2-O 2.94Å; W968-Q973 VanDerWaalsContact CE3-C 3.42Å; W968-Q973 VanDerWaalsContact CE3-O 3.29Å; T971-Q973 PolarHBondContact O-N 3.1Å; T971-Q973 PolarHBondContact OG1-N 2.79Å; T971-Q973 VanDerWaalsContact OG1-N 3.08Å; T971-Q973 PolarHBondContact OG1-O 2.66Å |
| 974 | P | 91.8 | Very high | 90.3 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 141.3 | 171.9 | 30.9 | -35.2 | 0 | 0 | 0 | 110.9 | P833 A852 | P833-P974 HydrophobicContact CB-CB 3.94Å; P833-P974 HydrophobicContact CB-CG 3.66Å; A852-P974 HydrophobicContact CB-CB 3.93Å |
| 975 | L | 94.5 | Very high | 89.5 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 131.5 | 177.9 | -175.7 | 68.7 | 0 | 0 | 0 | 111.1 | V757 D759 P833 V834 L960 L963 M964 H967 | V757-L975 HydrophobicContact CG1-CD1 3.82Å; V757-L975 HydrophobicContact CG1-CD2 4.05Å; V757-L975 HydrophobicContact CG1-CG 4.21Å; D759-L975 HydrophobicContact CB-CD1 4.1Å; P833-L975 WeakPolarHBondContact CA-O 3.13Å; V834-L975 PolarHBondContact N-O 3.13Å; L960-L975 HydrophobicContact CD1-CD2 4.26Å; L963-L975 HydrophobicContact CB-CD2 4.12Å; M964-L975 HydrophobicContact CG-CB 4.19Å; M964-L975 HydrophobicContact CG-CD2 3.92Å; H967-L975 HydrophobicContact CB-CB 4.43Å; H967-L975 HydrophobicContact CB-CD1 3.86Å |
| 976 | N | 94.6 | Very high | 88.7 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.5 | 173.9 | -58.7 | -81.4 | 0 | 0 | 0 | 111.1 | I758 D759 G832 I995 | I758-N976 PolarHBondContact N-O 3.31Å; I758-N976 VanDerWaalsContact N-O 3.09Å; D759-N976 PolarHBondContact OD1-ND2 2.9Å; D759-N976 VanDerWaalsContact OD2-CB 3.27Å; D759-N976 WeakPolarHBondContact OD2-CB 3.36Å; D759-N976 PolarHBondContact OD2-N 2.86Å; D759-N976 PolarHBondContact OD2-ND2 2.85Å; G832-N976 WeakPolarHBondContact O-CA 3.48Å; N976-I995 HydrophobicContact CB-CD1 3.88Å |
| 977 | V | 96 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.4 | 172.9 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | V755 V756 V831 G832 V834 I890 I916 L960 | V755-V977 HydrophobicContact CG1-CB 4.01Å; V755-V977 HydrophobicContact CG1-CG1 4.17Å; V755-V977 HydrophobicContact CG1-CG2 4.03Å; V756-V977 CarbonylContact O-C 3.52Å; V756-V977 WeakPolarHBondContact O-CA 3.25Å; V756-V977 WeakPolarHBondContact O-CB 3.49Å; V831-V977 WeakPolarHBondContact CA-O 3.43Å; G832-V977 PolarHBondContact N-O 2.79Å; G832-V977 PolarHBondContact O-N 2.78Å; V834-V977 HydrophobicContact CG2-CB 4.05Å; V834-V977 HydrophobicContact CG2-CG1 3.65Å; V834-V977 HydrophobicContact CG2-CG2 3.32Å; I890-V977 HydrophobicContact CD1-CG2 3.8Å; I916-V977 HydrophobicContact CD1-CG2 4.44Å; L960-V977 HydrophobicContact CD1-CG1 4.27Å |
| 978 | M | 95 | Very high | 88 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.9 | 167.7 | 179 | 171.7 | 73.5 | 0 | 0 | 109.6 | V756 I758 P829 L830 V831 T980 S988 | V756-M978 HydrophobicContact CB-CB 4.29Å; V756-M978 HydrophobicContact CB-CE 4.28Å; V756-M978 HydrophobicContact CG2-CE 4.16Å; V756-M978 PolarHBondContact N-O 2.97Å; V756-M978 PolarHBondContact O-N 3.15Å; I758-M978 HydrophobicContact CD1-CB 3.66Å; I758-M978 HydrophobicContact CD1-CE 4.31Å; I758-M978 HydrophobicContact CD1-SD 4.48Å; I758-M978 HydrophobicContact CG1-CB 3.7Å; P829-M978 HydrophobicContact CB-CG 3.55Å; P829-M978 HydrophobicContact CB-SD 3.43Å; P829-M978 WeakPolarHBondContact CB-SD 3.28Å; P829-M978 HydrophobicContact CG-SD 3.9Å; L830-M978 CarbonylContact O-C 3.5Å; L830-M978 VanDerWaalsContact O-CA 3.25Å; L830-M978 WeakPolarHBondContact O-CA 3.33Å; V831-M978 HydrophobicContact CG2-CB 4.03Å; V831-M978 HydrophobicContact CG2-CG 3.87Å; V831-M978 HydrophobicContact CG2-SD 4.12Å; M978-T980 HydrophobicContact CE-CG2 4.15Å; M978-S988 WeakPolarHBondContact CE-OG 3.47Å |
| 979 | L | 95.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.5 | 162.3 | -53.8 | -177.5 | 0 | 0 | 0 | 107.8 | Y754 V755 F778 P829 L830 I890 I916 P948 V950 | Y754-L979 WeakPolarHBondContact O-CA 3.42Å; V755-L979 HydrophobicContact CB-CD2 4.41Å; V755-L979 HydrophobicContact CG1-CD2 4.32Å; V755-L979 HydrophobicContact CG2-CD2 3.8Å; F778-L979 HydrophobicContact CE1-CB 4.32Å; P829-L979 WeakPolarHBondContact CA-O 3.32Å; L830-L979 HydrophobicContact CB-CB 4.41Å; L830-L979 HydrophobicContact CD2-CD1 4.11Å; L830-L979 PolarHBondContact N-O 3Å; L830-L979 PolarHBondContact O-N 3.14Å; I890-L979 HydrophobicContact CD1-CD1 4.32Å; I890-L979 HydrophobicContact CD1-CG 4.15Å; I890-L979 HydrophobicContact CG2-CD1 4.28Å; I916-L979 HydrophobicContact CD1-CD2 4.18Å; I916-L979 HydrophobicContact CG1-CD2 4.07Å; P948-L979 HydrophobicContact CB-CD1 4.05Å; V950-L979 HydrophobicContact CG2-CD2 4.14Å |
| 980 | T | 93 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.4 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | R753 Y754 V756 W827 M978 E982 | R753-T980 WeakPolarHBondContact CA-O 3.35Å; Y754-T980 HydrophobicContact CD2-CG2 4.34Å; Y754-T980 PolarHBondContact N-O 2.94Å; Y754-T980 PolarHBondContact O-N 2.94Å; Y754-T980 VanDerWaalsContact O-N 3.1Å; V756-T980 HydrophobicContact CG2-CG2 4.05Å; W827-T980 VanDerWaalsContact CH2-OG1 3.31Å; W827-T980 WeakPolarHBondContact CH2-OG1 3.15Å; W827-T980 WeakPolarHBondContact CZ3-OG1 3.22Å; M978-T980 HydrophobicContact CE-CG2 4.15Å; T980-E982 WeakPolarHBondContact CG2-O 3.5Å; T980-E982 PolarHBondContact OG1-N 2.85Å; T980-E982 PolarHBondContact OG1-O 2.91Å |
| 981 | K | 89.3 | Confident | 87.3 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 15% | 0.152 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -82.6 | -23.8 | 172 | -61.5 | -163.2 | 177.8 | -167.8 | 0 | 113.4 | F778 E781 W827 | F778-K981 HydrophobicContact CD1-CG 4.17Å; F778-K981 HydrophobicContact CD2-CD 4.2Å; F778-K981 HydrophobicContact CD2-CG 4Å; F778-K981 HydrophobicContact CE1-CG 4.06Å; F778-K981 HydrophobicContact CE2-CD 4.43Å; F778-K981 HydrophobicContact CE2-CG 3.87Å; F778-K981 HydrophobicContact CG-CD 4.43Å; F778-K981 HydrophobicContact CG-CG 4.13Å; F778-K981 HydrophobicContact CZ-CG 3.89Å; E781-K981 IonicContact OE1-NZ 2.74Å; E781-K981 PolarHBondContact OE1-NZ 2.8Å; E781-K981 VanDerWaalsContact OE2-CE 3.32Å; E781-K981 WeakPolarHBondContact OE2-CE 3.33Å; E781-K981 IonicContact OE2-NZ 2.7Å; E781-K981 PolarHBondContact OE2-NZ 3.46Å; W827-K981 HydrophobicContact CD2-CB 4.2Å; W827-K981 HydrophobicContact CD2-CD 4.02Å; W827-K981 HydrophobicContact CD2-CG 4.09Å; W827-K981 HydrophobicContact CE3-CB 4.22Å; W827-K981 HydrophobicContact CE3-CD 4.43Å; W827-K981 HydrophobicContact CE3-CG 4.04Å; W827-K981 HydrophobicContact CG-CD 4.17Å; W827-K981 HydrophobicContact CH2-CB 3.82Å; W827-K981 HydrophobicContact CZ2-CB 3.74Å; W827-K981 HydrophobicContact CZ3-CB 4.03Å; W827-K981 HydrophobicContact CZ3-CG 4.26Å |
| 982 | E | 85.1 | Confident | 87 | Confident | 92 Ų | 92 | 35 Ų | 35 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -137.2 | 133.1 | -178.2 | -70.6 | 168.5 | -163.9 | 0 | 0 | 108.3 | R825 W827 T980 D984 | R825-E982 IonicContact CZ-OE2 3.71Å; R825-E982 IonicContact NE-OE2 3.14Å; R825-E982 PolarHBondContact NE-OE2 3.48Å; R825-E982 IonicContact NH2-OE2 3.74Å; R825-E982 PolarHBondContact NH2-OE2 3.08Å; W827-E982 HydrophobicContact CH2-CB 4.15Å; W827-E982 HydrophobicContact CZ2-CB 4.07Å; W827-E982 HydrophobicContact CZ2-CG 4.01Å; T980-E982 WeakPolarHBondContact CG2-O 3.5Å; T980-E982 PolarHBondContact OG1-N 2.85Å; T980-E982 PolarHBondContact OG1-O 2.91Å; E982-D984 PolarHBondContact O-N 3.03Å |
| 983 | Y | 87.3 | Confident | 86.5 | Confident | 54 Ų | 54 | 32 Ų | 32 | 21% | 0.212 | 16% | 0.164 | C | C | . | . | trans | -88.3 | 100.4 | 175.5 | 174.7 | -105 | 0 | 0 | 0 | 110.6 | V756 G764 K767 V985 | V756-Y983 HydrophobicContact CG1-CD2 4.47Å; V756-Y983 HydrophobicContact CG1-CE2 4.07Å; V756-Y983 HydrophobicContact CG2-CD2 3.81Å; V756-Y983 HydrophobicContact CG2-CE2 4.24Å; G764-Y983 WeakPolarHBondContact O-CE2 2.96Å; G764-Y983 PolarHBondContact O-OH 3.31Å; K767-Y983 HydrophobicContact CB-CD2 4.33Å; K767-Y983 HydrophobicContact CB-CE2 4.28Å; K767-Y983 HydrophobicContact CD-CD1 3.64Å; K767-Y983 HydrophobicContact CD-CD2 3.6Å; K767-Y983 HydrophobicContact CD-CE1 3.79Å; K767-Y983 HydrophobicContact CD-CE2 3.81Å; K767-Y983 HydrophobicContact CD-CG 3.5Å; Y983-V985 HydrophobicContact CD1-CG2 4.44Å; Y983-V985 HydrophobicContact CE1-CG2 3.64Å | ||
| 984 | D | 83 | Confident | 86 | Confident | 59 Ų | 59 | 29.2 Ų | 29.2 | 32% | 0.316 | 16% | 0.158 | S | C | . | . | trans | -102.6 | 124.8 | 169.3 | -177.3 | -39.7 | 0 | 0 | 0 | 109.2 | E982 A986 E987 S988 | E982-D984 PolarHBondContact O-N 3.03Å; D984-A986 WeakPolarHBondContact OD1-CA 3.2Å; D984-A986 WeakPolarHBondContact OD1-CB 3.27Å; D984-A986 PolarHBondContact OD1-N 2.97Å; D984-E987 HydrophobicContact CB-CB 3.76Å; D984-E987 PolarHBondContact OD1-N 2.92Å; D984-S988 WeakPolarHBondContact O-CB 3.41Å; D984-S988 PolarHBondContact O-N 3.4Å; D984-S988 PolarHBondContact O-OG 3.46Å | ||
| 985 | V | 76.8 | Confident | 85.1 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.2 | -35.9 | -177.1 | -162.2 | 0 | 0 | 0 | 0 | 111.6 | F765 Y983 F989 I1032 | F765-V985 HydrophobicContact CD1-CG1 3.77Å; F765-V985 HydrophobicContact CE1-CG1 3.51Å; Y983-V985 HydrophobicContact CD1-CG2 4.44Å; Y983-V985 HydrophobicContact CE1-CG2 3.64Å; V985-F989 WeakPolarHBondContact O-CB 3.27Å; V985-F989 PolarHBondContact O-N 2.95Å; V985-I1032 HydrophobicContact CB-CD1 3.95Å; V985-I1032 HydrophobicContact CG1-CD1 3.5Å; V985-I1032 HydrophobicContact CG2-CD1 4.44Å |
| 986 | A | 73.3 | Confident | 83.7 | Confident | 30 Ų | 30 | 31 Ų | 31 | 25% | 0.248 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.2 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D984 N990 | D984-A986 WeakPolarHBondContact OD1-CA 3.2Å; D984-A986 WeakPolarHBondContact OD1-CB 3.27Å; D984-A986 PolarHBondContact OD1-N 2.97Å; A986-N990 VanDerWaalsContact O-CB 3.29Å; A986-N990 WeakPolarHBondContact O-CB 3.38Å; A986-N990 VanDerWaalsContact O-CG 3.28Å; A986-N990 PolarHBondContact O-N 3.27Å; A986-N990 PolarHBondContact O-ND2 2.98Å |
| 987 | E | 82.3 | Confident | 82 | Confident | 51 Ų | 51 | 37.4 Ų | 37.4 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 172.8 | -166.6 | 168 | -153.9 | 0 | 0 | 111 | R825 P829 D984 F989 N990 S991 | R825-E987 IonicContact CZ-OE2 3.7Å; R825-E987 IonicContact NH1-OE1 2.82Å; R825-E987 PolarHBondContact NH1-OE1 2.95Å; R825-E987 IonicContact NH1-OE2 3.65Å; R825-E987 PolarHBondContact NH1-OE2 2.9Å; P829-E987 WeakPolarHBondContact CD-OE1 3.17Å; P829-E987 HydrophobicContact CG-CG 4.4Å; P829-E987 WeakPolarHBondContact CG-OE1 3.17Å; D984-E987 HydrophobicContact CB-CB 3.76Å; D984-E987 PolarHBondContact OD1-N 2.92Å; E987-F989 PolarHBondContact O-N 3.41Å; E987-N990 PolarHBondContact O-N 2.99Å; E987-S991 PolarHBondContact O-N 3.17Å; E987-S991 PolarHBondContact O-OG 3.4Å |
| 988 | S | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 178.1 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | M978 D984 S991 A992 | M978-S988 WeakPolarHBondContact CE-OG 3.47Å; D984-S988 WeakPolarHBondContact O-CB 3.41Å; D984-S988 PolarHBondContact O-N 3.4Å; D984-S988 PolarHBondContact O-OG 3.46Å; S988-S991 WeakPolarHBondContact O-CB 3.38Å; S988-S991 PolarHBondContact O-N 3.19Å; S988-A992 PolarHBondContact O-N 2.83Å |
| 989 | F | 82.7 | Confident | 78.5 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.2 | -39.8 | 178.9 | -175.7 | -111.6 | 0 | 0 | 0 | 112.7 | Y763 F765 V985 E987 S991 A992 L993 L1019 | Y763-F989 WeakPolarHBondContact O-CA 3.05Å; F765-F989 HydrophobicContact CE2-CD2 4.47Å; F765-F989 HydrophobicContact CZ-CD2 4.4Å; V985-F989 WeakPolarHBondContact O-CB 3.27Å; V985-F989 PolarHBondContact O-N 2.95Å; E987-F989 PolarHBondContact O-N 3.41Å; F989-S991 VanDerWaalsContact C-N 3.3Å; F989-S991 PolarHBondContact O-N 2.92Å; F989-A992 PolarHBondContact O-N 2.97Å; F989-L993 HydrophobicContact CD1-CD1 3.92Å; F989-L993 HydrophobicContact CE1-CD1 3.57Å; F989-L993 HydrophobicContact CE1-CG 4.23Å; F989-L993 HydrophobicContact CZ-CD1 4.05Å; F989-L993 HydrophobicContact CZ-CD2 4.43Å; F989-L993 HydrophobicContact CZ-CG 4.28Å; F989-L993 WeakPolarHBondContact O-CG 3.28Å; F989-L993 PolarHBondContact O-N 3.27Å; F989-L1019 HydrophobicContact CE2-CD1 4.5Å; F989-L1019 HydrophobicContact CE2-CD2 4.06Å; F989-L1019 HydrophobicContact CZ-CD1 4.2Å |
| 990 | N | 81 | Confident | 76.3 | Confident | 70 Ų | 70 | 51 Ų | 51 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 173.2 | -77.1 | -55.2 | 0 | 0 | 0 | 111.7 | A986 E987 L993 S994 | A986-N990 VanDerWaalsContact O-CB 3.29Å; A986-N990 WeakPolarHBondContact O-CB 3.38Å; A986-N990 VanDerWaalsContact O-CG 3.28Å; A986-N990 PolarHBondContact O-N 3.27Å; A986-N990 PolarHBondContact O-ND2 2.98Å; E987-N990 PolarHBondContact O-N 2.99Å; N990-L993 PolarHBondContact O-N 2.89Å; N990-S994 PolarHBondContact O-N 3.32Å |
| 991 | S | 82.6 | Confident | 74 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 171.6 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | E987 S988 F989 S994 I995 | E987-S991 PolarHBondContact O-N 3.17Å; E987-S991 PolarHBondContact O-OG 3.4Å; S988-S991 WeakPolarHBondContact O-CB 3.38Å; S988-S991 PolarHBondContact O-N 3.19Å; F989-S991 VanDerWaalsContact C-N 3.3Å; F989-S991 PolarHBondContact O-N 2.92Å; S991-S994 PolarHBondContact O-N 3.05Å; S991-S994 PolarHBondContact O-OG 2.86Å; S991-I995 PolarHBondContact O-N 3.45Å; S991-I995 VanDerWaalsContact O-N 3.1Å |
| 992 | A | 82.2 | Confident | 71.9 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I758 Y763 S988 F989 S996 | I758-A992 VanDerWaalsContact CG2-CA 3.45Å; I758-A992 HydrophobicContact CG2-CB 3.9Å; I758-A992 VanDerWaalsContact O-CB 3.27Å; I758-A992 WeakPolarHBondContact O-CB 3.21Å; Y763-A992 HydrophobicContact CD1-CB 4.29Å; S988-A992 PolarHBondContact O-N 2.83Å; F989-A992 PolarHBondContact O-N 2.97Å; A992-S996 VanDerWaalsContact O-CB 3.31Å; A992-S996 WeakPolarHBondContact O-CB 3.16Å; A992-S996 PolarHBondContact O-N 3.22Å; A992-S996 PolarHBondContact O-OG 3.48Å |
| 993 | L | 77.7 | Confident | 69.7 | Low | 31 Ų | 31 | 59 Ų | 59 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 174.3 | -72.2 | 173.9 | 0 | 0 | 0 | 112.6 | F989 N990 R997 | F989-L993 HydrophobicContact CD1-CD1 3.92Å; F989-L993 HydrophobicContact CE1-CD1 3.57Å; F989-L993 HydrophobicContact CE1-CG 4.23Å; F989-L993 HydrophobicContact CZ-CD1 4.05Å; F989-L993 HydrophobicContact CZ-CD2 4.43Å; F989-L993 HydrophobicContact CZ-CG 4.28Å; F989-L993 WeakPolarHBondContact O-CG 3.28Å; F989-L993 PolarHBondContact O-N 3.27Å; N990-L993 PolarHBondContact O-N 2.89Å; L993-R997 WeakPolarHBondContact O-CG 3.06Å; L993-R997 PolarHBondContact O-N 3.1Å |
| 994 | S | 77.9 | Confident | 67 | Low | 62 Ų | 62 | 65.5 Ų | 65.5 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71 | -45.1 | 179.5 | 76.7 | 0 | 0 | 0 | 0 | 112 | N990 S991 S996 R997 V998 | N990-S994 PolarHBondContact O-N 3.32Å; S991-S994 PolarHBondContact O-N 3.05Å; S991-S994 PolarHBondContact O-OG 2.86Å; S994-S996 VanDerWaalsContact C-N 3.34Å; S994-S996 PolarHBondContact O-N 2.86Å; S994-R997 PolarHBondContact O-N 3.26Å; S994-V998 WeakPolarHBondContact O-CG2 3.37Å; S994-V998 PolarHBondContact O-N 3.1Å |
| 995 | I | 73.6 | Confident | 64.5 | Low | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 172.2 | -65.8 | -173.2 | 0 | 0 | 0 | 110.7 | I758 V831 N976 S991 R997 V998 N999 | I758-I995 HydrophobicContact CB-CD1 4.43Å; I758-I995 HydrophobicContact CG2-CD1 3.72Å; I758-I995 HydrophobicContact CG2-CG1 4.43Å; V831-I995 HydrophobicContact CG1-CD1 3.75Å; N976-I995 HydrophobicContact CB-CD1 3.88Å; S991-I995 PolarHBondContact O-N 3.45Å; S991-I995 VanDerWaalsContact O-N 3.1Å; I995-R997 VanDerWaalsContact C-N 3.27Å; I995-R997 PolarHBondContact O-N 3.49Å; I995-V998 PolarHBondContact O-N 3.45Å; I995-V998 VanDerWaalsContact O-N 3.11Å; I995-N999 WeakPolarHBondContact CG2-ND2 3.12Å; I995-N999 WeakPolarHBondContact O-CB 3.2Å; I995-N999 PolarHBondContact O-N 3.1Å |
| 996 | S | 64.9 | Low | 62.2 | Low | 32 Ų | 32 | 75.9 Ų | 75.9 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59 | -37.5 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | A992 S994 N1000 | A992-S996 VanDerWaalsContact O-CB 3.31Å; A992-S996 WeakPolarHBondContact O-CB 3.16Å; A992-S996 PolarHBondContact O-N 3.22Å; A992-S996 PolarHBondContact O-OG 3.48Å; S994-S996 VanDerWaalsContact C-N 3.34Å; S994-S996 PolarHBondContact O-N 2.86Å; S996-N1000 PolarHBondContact O-N 3.24Å; S996-N1000 PolarHBondContact O-ND2 2.83Å |
| 997 | R | 59.5 | Low | 60 | Low | 163 Ų | 163 | 79.6 Ų | 79.6 | 62% | 0.615 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.7 | -43 | 173.6 | -73.3 | 174.1 | -175.3 | 175.1 | 4.7 | 112.3 | L993 S994 I995 N1000 A1001 | L993-R997 WeakPolarHBondContact O-CG 3.06Å; L993-R997 PolarHBondContact O-N 3.1Å; S994-R997 PolarHBondContact O-N 3.26Å; I995-R997 VanDerWaalsContact C-N 3.27Å; I995-R997 PolarHBondContact O-N 3.49Å; R997-N1000 PolarHBondContact O-N 3.01Å; R997-A1001 WeakPolarHBondContact O-CB 3.37Å; R997-A1001 PolarHBondContact O-N 3.32Å |
| 998 | V | 61.1 | Low | 57.5 | Low | 102 Ų | 102 | 84.2 Ų | 84.2 | 62% | 0.618 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | S994 I995 N1000 A1001 G1002 | S994-V998 WeakPolarHBondContact O-CG2 3.37Å; S994-V998 PolarHBondContact O-N 3.1Å; I995-V998 PolarHBondContact O-N 3.45Å; I995-V998 VanDerWaalsContact O-N 3.11Å; V998-N1000 VanDerWaalsContact C-N 3.27Å; V998-N1000 PolarHBondContact O-N 2.96Å; V998-A1001 PolarHBondContact O-N 3.06Å; V998-G1002 PolarHBondContact O-N 3.46Å |
| 999 | N | 56.2 | Low | 55.2 | Low | 86 Ų | 86 | 92.8 Ų | 92.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -30.3 | 179.7 | -73.8 | -12.6 | 0 | 0 | 0 | 113 | I995 | I995-N999 WeakPolarHBondContact CG2-ND2 3.12Å; I995-N999 WeakPolarHBondContact O-CB 3.2Å; I995-N999 PolarHBondContact O-N 3.1Å |
| 1000 | N | 49.6 | Very low | 53.3 | Low | 98 Ų | 98 | 96 Ų | 96 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -81.6 | -37.3 | 174.1 | -72 | -10 | 0 | 0 | 0 | 112.4 | S996 R997 V998 G1002 K1003 | S996-N1000 PolarHBondContact O-N 3.24Å; S996-N1000 PolarHBondContact O-ND2 2.83Å; R997-N1000 PolarHBondContact O-N 3.01Å; V998-N1000 VanDerWaalsContact C-N 3.27Å; V998-N1000 PolarHBondContact O-N 2.96Å; N1000-G1002 PolarHBondContact O-N 2.73Å; N1000-K1003 PolarHBondContact O-N 3.28Å |
| 1001 | A | 44.8 | Very low | 51.4 | Low | 73 Ų | 73 | 96 Ų | 96 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.9 | -25.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R997 V998 K1003 | R997-A1001 WeakPolarHBondContact O-CB 3.37Å; R997-A1001 PolarHBondContact O-N 3.32Å; V998-A1001 PolarHBondContact O-N 3.06Å; A1001-K1003 VanDerWaalsContact C-N 3.31Å |
| 1002 | G | 45.4 | Very low | 49.4 | Very low | 67 Ų | 67 | 100.9 Ų | 100.9 | 69% | 0.691 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V998 N1000 | V998-G1002 PolarHBondContact O-N 3.46Å; N1000-G1002 PolarHBondContact O-N 2.73Å |
| 1003 | K | 38.7 | Very low | 47.3 | Very low | 156 Ų | 156 | 110.4 Ų | 110.4 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | trans | -109.5 | 78.7 | -176.3 | -72.1 | -178.4 | 178.8 | 174.6 | 0 | 111.6 | N1000 A1001 T1005 | N1000-K1003 PolarHBondContact O-N 3.28Å; A1001-K1003 VanDerWaalsContact C-N 3.31Å; K1003-T1005 PolarHBondContact O-N 3.02Å | ||
| 1004 | H | 29.6 | Very low | 45.8 | Very low | 190 Ų | 190 | 112.9 Ų | 112.9 | 88% | 0.88 | 60% | 0.597 | S | S | * | * | trans | -73.4 | 65.1 | 167.1 | -88.4 | -70.7 | 0 | 0 | 0 | 112.1 | ||||
| 1005 | T | 31 | Very low | 44.5 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 77% | 0.767 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -142.1 | 150.5 | 163.3 | 33.2 | 0 | 0 | 0 | 0 | 109.7 | K1003 | K1003-T1005 PolarHBondContact O-N 3.02Š|
| 1006 | E | 28.5 | Very low | 43.1 | Very low | 183 Ų | 183 | 115.3 Ų | 115.3 | 86% | 0.855 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -72.3 | 161 | -164.4 | -61.6 | 166.9 | 126.6 | 0 | 0 | 114 | ||
| 1007 | S | 27 | Very low | 42.1 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 76% | 0.762 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 64.3 | 80.6 | 170.5 | 62.1 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1008 | N | 30.3 | Very low | 41.7 | Very low | 147 Ų | 147 | 113.1 Ų | 113.1 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | 179.4 | 88 | 120.7 | -90.6 | -30.3 | 0 | 0 | 0 | 110.1 | L1010 | N1008-L1010 PolarHBondContact O-N 3.29Š| |||
| 1009 | E | 34.4 | Very low | 41.1 | Very low | 180 Ų | 180 | 109 Ų | 109 | 84% | 0.841 | 58% | 0.579 | S | S | * | * | trans | -63.9 | 124 | 157.2 | -70.2 | -167.8 | 138 | 0 | 0 | 107.8 | T1011 | E1009-T1011 VanDerWaalsContact C-N 3.32Å; E1009-T1011 PolarHBondContact O-N 3.01Å | ||
| 1010 | L | 42.1 | Very low | 40.4 | Very low | 94 Ų | 94 | 112.3 Ų | 112.3 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | trans | -67.9 | 97.4 | 172.6 | -151.9 | 89.4 | 0 | 0 | 0 | 107.3 | N1008 Q1014 L1015 | N1008-L1010 PolarHBondContact O-N 3.29Å; L1010-Q1014 HydrophobicContact CG-CB 4.07Å; L1010-L1015 HydrophobicContact CD2-CB 4.41Å; L1010-L1015 HydrophobicContact CD2-CD1 4.24Å | ||
| 1011 | T | 42.9 | Very low | 40.3 | Very low | 69 Ų | 69 | 113.6 Ų | 113.6 | 42% | 0.423 | 59% | 0.589 | S | S | . | * | trans | -55.2 | 149.4 | -173.6 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | E1009 Y1013 Q1014 L1015 | E1009-T1011 VanDerWaalsContact C-N 3.32Å; E1009-T1011 PolarHBondContact O-N 3.01Å; T1011-Y1013 PolarHBondContact O-N 3.11Å; T1011-Q1014 PolarHBondContact O-N 2.87Å; T1011-Q1014 WeakPolarHBondContact OG1-CG 3.41Å; T1011-Q1014 PolarHBondContact OG1-N 3.09Å; T1011-Q1014 PolarHBondContact OG1-OE1 2.87Å; T1011-Q1014 VanDerWaalsContact OG1-OE1 3.09Å; T1011-L1015 PolarHBondContact O-N 2.91Å; T1011-L1015 VanDerWaalsContact O-N 3.1Å | ||
| 1012 | Q | 40.7 | Very low | 40.3 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 59% | 0.589 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -51.5 | -35 | 174.2 | -85.3 | -176.5 | -38.8 | 0 | 0 | 111.3 | L1015 I1016 | Q1012-L1015 PolarHBondContact O-N 2.78Å; Q1012-I1016 HydrophobicContact CB-CD1 4.45Å; Q1012-I1016 VanDerWaalsContact O-CB 3.24Å; Q1012-I1016 WeakPolarHBondContact O-CB 3.35Å; Q1012-I1016 WeakPolarHBondContact O-CD1 3.27Å; Q1012-I1016 WeakPolarHBondContact O-CG1 3.33Å; Q1012-I1016 PolarHBondContact O-N 2.99Å |
| 1013 | Y | 36.7 | Very low | 40.1 | Very low | 200 Ų | 200 | 110.6 Ų | 110.6 | 78% | 0.784 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.2 | -40.9 | 172.6 | -72.8 | -80.5 | 0 | 0 | 0 | 114.5 | T1011 S1017 | T1011-Y1013 PolarHBondContact O-N 3.11Å; Y1013-S1017 WeakPolarHBondContact O-CB 3.43Å; Y1013-S1017 PolarHBondContact O-N 2.63Å |
| 1014 | Q | 46.5 | Very low | 40.1 | Very low | 83 Ų | 83 | 109 Ų | 109 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 175.3 | -78.7 | 165.3 | -43.9 | 0 | 0 | 111.9 | L1010 T1011 S1017 H1018 | L1010-Q1014 HydrophobicContact CG-CB 4.07Å; T1011-Q1014 PolarHBondContact O-N 2.87Å; T1011-Q1014 WeakPolarHBondContact OG1-CG 3.41Å; T1011-Q1014 PolarHBondContact OG1-N 3.09Å; T1011-Q1014 PolarHBondContact OG1-OE1 2.87Å; T1011-Q1014 VanDerWaalsContact OG1-OE1 3.09Å; Q1014-S1017 PolarHBondContact O-N 3.48Å; Q1014-H1018 PolarHBondContact O-CD2 3.23Å; Q1014-H1018 VanDerWaalsContact O-CD2 3.26Å; Q1014-H1018 PolarHBondContact O-N 3.42Å |
| 1015 | L | 50.3 | Low | 40.5 | Very low | 46 Ų | 46 | 109.8 Ų | 109.8 | 24% | 0.241 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 176.8 | -170.7 | 72.1 | 0 | 0 | 0 | 111 | Y763 L1010 T1011 Q1012 H1018 L1019 | Y763-L1015 HydrophobicContact CE1-CD1 4.2Å; L1010-L1015 HydrophobicContact CD2-CB 4.41Å; L1010-L1015 HydrophobicContact CD2-CD1 4.24Å; T1011-L1015 PolarHBondContact O-N 2.91Å; T1011-L1015 VanDerWaalsContact O-N 3.1Å; Q1012-L1015 PolarHBondContact O-N 2.78Å; L1015-H1018 PolarHBondContact O-N 3.03Å; L1015-L1019 HydrophobicContact CG-CD1 4.2Å; L1015-L1019 VanDerWaalsContact O-CG 3.29Å; L1015-L1019 WeakPolarHBondContact O-CG 3.46Å; L1015-L1019 PolarHBondContact O-N 2.81Å; L1015-L1019 VanDerWaalsContact O-N 3.1Å |
| 1016 | I | 45.8 | Very low | 40.8 | Very low | 93 Ų | 93 | 105.4 Ų | 105.4 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.3 | -70.1 | 165.3 | 0 | 0 | 0 | 110.4 | Q1012 H1018 L1019 Y1020 | Q1012-I1016 HydrophobicContact CB-CD1 4.45Å; Q1012-I1016 VanDerWaalsContact O-CB 3.24Å; Q1012-I1016 WeakPolarHBondContact O-CB 3.35Å; Q1012-I1016 WeakPolarHBondContact O-CD1 3.27Å; Q1012-I1016 WeakPolarHBondContact O-CG1 3.33Å; Q1012-I1016 PolarHBondContact O-N 2.99Å; I1016-H1018 PolarHBondContact O-N 2.85Å; I1016-L1019 PolarHBondContact O-N 2.97Å; I1016-Y1020 WeakPolarHBondContact O-CB 3.27Å; I1016-Y1020 PolarHBondContact O-N 2.79Å |
| 1017 | S | 43.7 | Very low | 41.2 | Very low | 61 Ų | 61 | 101.2 Ų | 101.2 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 179.7 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | Y1013 Q1014 L1019 Y1020 Q1021 | Y1013-S1017 WeakPolarHBondContact O-CB 3.43Å; Y1013-S1017 PolarHBondContact O-N 2.63Å; Q1014-S1017 PolarHBondContact O-N 3.48Å; S1017-L1019 VanDerWaalsContact C-N 3.35Å; S1017-L1019 PolarHBondContact O-N 2.89Å; S1017-Y1020 PolarHBondContact O-N 2.89Å; S1017-Q1021 PolarHBondContact O-N 2.92Å |
| 1018 | H | 49.7 | Very low | 41.9 | Very low | 88 Ų | 88 | 100.7 Ų | 100.7 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.4 | -83.2 | -112.5 | 0 | 0 | 0 | 112.1 | Q1014 L1015 I1016 Q1022 | Q1014-H1018 PolarHBondContact O-CD2 3.23Å; Q1014-H1018 VanDerWaalsContact O-CD2 3.26Å; Q1014-H1018 PolarHBondContact O-N 3.42Å; L1015-H1018 PolarHBondContact O-N 3.03Å; I1016-H1018 PolarHBondContact O-N 2.85Å; H1018-Q1022 PolarHBondContact O-N 2.86Å |
| 1019 | L | 49.4 | Very low | 42.3 | Very low | 16 Ų | 16 | 94.2 Ų | 94.2 | 8% | 0.084 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 175.1 | -68.4 | 169 | 0 | 0 | 0 | 112.1 | F765 F989 L1015 I1016 S1017 Q1022 S1023 | F765-L1019 HydrophobicContact CE2-CD2 3.95Å; F765-L1019 HydrophobicContact CZ-CD2 4.45Å; F989-L1019 HydrophobicContact CE2-CD1 4.5Å; F989-L1019 HydrophobicContact CE2-CD2 4.06Å; F989-L1019 HydrophobicContact CZ-CD1 4.2Å; L1015-L1019 HydrophobicContact CG-CD1 4.2Å; L1015-L1019 VanDerWaalsContact O-CG 3.29Å; L1015-L1019 WeakPolarHBondContact O-CG 3.46Å; L1015-L1019 PolarHBondContact O-N 2.81Å; L1015-L1019 VanDerWaalsContact O-N 3.1Å; I1016-L1019 PolarHBondContact O-N 2.97Å; S1017-L1019 VanDerWaalsContact C-N 3.35Å; S1017-L1019 PolarHBondContact O-N 2.89Å; L1019-Q1022 PolarHBondContact O-N 3.06Å; L1019-S1023 PolarHBondContact O-N 3.05Å |
| 1020 | Y | 41.7 | Very low | 42.4 | Very low | 154 Ų | 154 | 88.5 Ų | 88.5 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.1 | -39.8 | 178.9 | -138.7 | -86.1 | 0 | 0 | 0 | 111.5 | I1016 S1017 Q1022 S1023 | I1016-Y1020 WeakPolarHBondContact O-CB 3.27Å; I1016-Y1020 PolarHBondContact O-N 2.79Å; S1017-Y1020 PolarHBondContact O-N 2.89Å; Y1020-Q1022 VanDerWaalsContact C-N 3.25Å; Y1020-Q1022 PolarHBondContact O-N 2.84Å; Y1020-S1023 WeakPolarHBondContact CA-OG 3.48Å; Y1020-S1023 PolarHBondContact O-N 3.09Å; Y1020-S1023 PolarHBondContact O-OG 2.8Å |
| 1021 | Q | 46.3 | Very low | 42.3 | Very low | 125 Ų | 125 | 86.6 Ų | 86.6 | 58% | 0.584 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.8 | -32.2 | 172.7 | -74.4 | -172.8 | -53.9 | 0 | 0 | 112.4 | S1017 | S1017-Q1021 PolarHBondContact O-N 2.92Å |
| 1022 | Q | 45.6 | Very low | 42.2 | Very low | 51 Ų | 51 | 86.1 Ų | 86.1 | 24% | 0.238 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -80.2 | -30.5 | 173.1 | -71.8 | -176.1 | -21.8 | 0 | 0 | 113.6 | P761 H1018 L1019 Y1020 I1024 Y1025 S1026 I1029 | P761-Q1022 PolarHBondContact O-NE2 3.32Å; H1018-Q1022 PolarHBondContact O-N 2.86Å; L1019-Q1022 PolarHBondContact O-N 3.06Å; Y1020-Q1022 VanDerWaalsContact C-N 3.25Å; Y1020-Q1022 PolarHBondContact O-N 2.84Å; Q1022-I1024 PolarHBondContact O-N 2.91Å; Q1022-I1024 VanDerWaalsContact O-N 3.15Å; Q1022-Y1025 PolarHBondContact O-N 3.12Å; Q1022-S1026 PolarHBondContact O-N 2.93Å; Q1022-I1029 HydrophobicContact CB-CD1 3.69Å |
| 1023 | S | 40.6 | Very low | 42 | Very low | 27 Ų | 27 | 84.3 Ų | 84.3 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.5 | -18.7 | 178 | 71.1 | 0 | 0 | 0 | 0 | 114.6 | L1019 Y1020 Y1025 | L1019-S1023 PolarHBondContact O-N 3.05Å; Y1020-S1023 WeakPolarHBondContact CA-OG 3.48Å; Y1020-S1023 PolarHBondContact O-N 3.09Å; Y1020-S1023 PolarHBondContact O-OG 2.8Å; S1023-Y1025 PolarHBondContact O-N 3.35Å |
| 1024 | I | 38.4 | Very low | 41.8 | Very low | 123 Ų | 123 | 79.2 Ų | 79.2 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.8 | 172 | -64.7 | 167.3 | 0 | 0 | 0 | 111.5 | Q1022 | Q1022-I1024 PolarHBondContact O-N 2.91Å; Q1022-I1024 VanDerWaalsContact O-N 3.15Å |
| 1025 | Y | 38.8 | Very low | 41.3 | Very low | 205 Ų | 205 | 81.2 Ų | 81.2 | 80% | 0.804 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 7.8 | -174.5 | -64.8 | -80.7 | 0 | 0 | 0 | 114.2 | Q1022 S1023 | Q1022-Y1025 PolarHBondContact O-N 3.12Å; S1023-Y1025 PolarHBondContact O-N 3.35Å |
| 1026 | S | 36.7 | Very low | 40.5 | Very low | 33 Ų | 33 | 85.8 Ų | 85.8 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | trans | -155.5 | 122.9 | 173.2 | -171.2 | 0 | 0 | 0 | 0 | 113.8 | Q1022 I1028 I1029 | Q1022-S1026 PolarHBondContact O-N 2.93Å; S1026-I1028 PolarHBondContact O-N 3.02Å; S1026-I1028 VanDerWaalsContact O-N 3.13Å; S1026-I1028 PolarHBondContact OG-N 2.74Å; S1026-I1029 PolarHBondContact O-N 3.13Å | ||
| 1027 | P | 36.9 | Very low | 39.8 | Very low | 96 Ų | 96 | 87.8 Ų | 87.8 | 62% | 0.623 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.7 | -14.9 | 175.2 | 28.2 | -35 | 0 | 0 | 0 | 113.2 | N1031 | P1027-N1031 PolarHBondContact O-ND2 3.08Å |
| 1028 | I | 41.6 | Very low | 39.3 | Very low | 97 Ų | 97 | 88 Ų | 88 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 176.9 | -61.2 | 169.4 | 0 | 0 | 0 | 110.7 | S1026 S1030 N1031 I1032 | S1026-I1028 PolarHBondContact O-N 3.02Å; S1026-I1028 VanDerWaalsContact O-N 3.13Å; S1026-I1028 PolarHBondContact OG-N 2.74Å; I1028-S1030 PolarHBondContact O-N 2.74Å; I1028-N1031 PolarHBondContact O-N 3.46Å; I1028-I1032 HydrophobicContact CG2-CD1 3.68Å; I1028-I1032 HydrophobicContact CG2-CG1 4.32Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.44Å; I1028-I1032 PolarHBondContact O-N 3.03Å |
| 1029 | I | 40 | Very low | 38.3 | Very low | 11 Ų | 11 | 88.4 Ų | 88.4 | 6% | 0.056 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.3 | -36.3 | -175.8 | -60.4 | 174.2 | 0 | 0 | 0 | 111 | F765 Q1022 S1026 N1031 I1032 L1033 | F765-I1029 HydrophobicContact CE1-CG1 4.14Å; F765-I1029 HydrophobicContact CE2-CD1 4.47Å; F765-I1029 HydrophobicContact CZ-CD1 4.48Å; F765-I1029 HydrophobicContact CZ-CG1 4.24Å; Q1022-I1029 HydrophobicContact CB-CD1 3.69Å; S1026-I1029 PolarHBondContact O-N 3.13Å; I1029-N1031 VanDerWaalsContact C-N 3.3Å; I1029-N1031 PolarHBondContact O-N 3.43Å; I1029-I1032 PolarHBondContact O-N 3.33Å; I1029-L1033 HydrophobicContact CG2-CD1 4.22Å; I1029-L1033 PolarHBondContact O-N 3.27Å; I1029-L1033 VanDerWaalsContact O-N 3.16Å |
| 1030 | S | 35.5 | Very low | 37.6 | Very low | 61 Ų | 61 | 95.4 Ų | 95.4 | 43% | 0.427 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 173.1 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | I1028 C1034 | I1028-S1030 PolarHBondContact O-N 2.74Å; S1030-C1034 PolarHBondContact O-SG 3.43Å |
| 1031 | N | 40.1 | Very low | 37.3 | Very low | 54 Ų | 54 | 91 Ų | 91 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.7 | -40.8 | 178.8 | -78.9 | -86.5 | 0 | 0 | 0 | 112.7 | P1027 I1028 I1029 L1033 C1034 Q1225 | P1027-N1031 PolarHBondContact O-ND2 3.08Å; I1028-N1031 PolarHBondContact O-N 3.46Å; I1029-N1031 VanDerWaalsContact C-N 3.3Å; I1029-N1031 PolarHBondContact O-N 3.43Å; N1031-L1033 VanDerWaalsContact C-N 3.26Å; N1031-L1033 PolarHBondContact O-N 3.21Å; N1031-C1034 PolarHBondContact O-N 2.8Å; N1031-Q1225 VanDerWaalsContact ND2-CD 3.3Å; N1031-Q1225 PolarHBondContact ND2-NE2 3.26Å; N1031-Q1225 PolarHBondContact ND2-OE1 3.13Å; N1031-Q1225 PolarHBondContact OD1-NE2 3.4Å; N1031-Q1225 PolarHBondContact OD1-OE1 3.13Å |
| 1032 | I | 41.3 | Very low | 36.6 | Very low | 58 Ų | 58 | 88.7 Ų | 88.7 | 30% | 0.297 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.8 | -33 | 178.6 | -71 | 172.8 | 0 | 0 | 0 | 111.8 | F765 V985 I1028 I1029 C1034 I1038 | F765-I1032 HydrophobicContact CE1-CD1 4.33Å; V985-I1032 HydrophobicContact CB-CD1 3.95Å; V985-I1032 HydrophobicContact CG1-CD1 3.5Å; V985-I1032 HydrophobicContact CG2-CD1 4.44Å; I1028-I1032 HydrophobicContact CG2-CD1 3.68Å; I1028-I1032 HydrophobicContact CG2-CG1 4.32Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.44Å; I1028-I1032 PolarHBondContact O-N 3.03Å; I1029-I1032 PolarHBondContact O-N 3.33Å; I1032-C1034 PolarHBondContact O-N 2.89Å; I1032-I1038 HydrophobicContact CG2-CD1 4.26Å |
| 1033 | L | 36.4 | Very low | 35.6 | Very low | 89 Ų | 89 | 93.5 Ų | 93.5 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.7 | 174.9 | -75.6 | 166.1 | 0 | 0 | 0 | 114.2 | I1029 N1031 | I1029-L1033 HydrophobicContact CG2-CD1 4.22Å; I1029-L1033 PolarHBondContact O-N 3.27Å; I1029-L1033 VanDerWaalsContact O-N 3.16Å; N1031-L1033 VanDerWaalsContact C-N 3.26Å; N1031-L1033 PolarHBondContact O-N 3.21Å |
| 1034 | C | 33.3 | Very low | 35.1 | Very low | 93 Ų | 93 | 96.8 Ų | 96.8 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -20.9 | -171.5 | -76 | 0 | 0 | 0 | 0 | 116.7 | S1030 N1031 I1032 | S1030-C1034 PolarHBondContact O-SG 3.43Å; N1031-C1034 PolarHBondContact O-N 2.8Å; I1032-C1034 PolarHBondContact O-N 2.89Å |
| 1035 | F | 34.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 96.8 Ų | 96.8 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -126.3 | 104.3 | -173.5 | -96.6 | -90.4 | 0 | 0 | 0 | 116.7 | Q1037 | F1035-Q1037 PolarHBondContact O-N 2.66Š|
| 1036 | H | 33.7 | Very low | 34 | Very low | 142 Ų | 142 | 93.3 Ų | 93.3 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 59.6 | -38.8 | 150.1 | -134.9 | -39.9 | 0 | 0 | 0 | 121.9 | S1039 | H1036-S1039 WeakPolarHBondContact O-CB 3.38Å; H1036-S1039 PolarHBondContact O-N 3.32Å |
| 1037 | Q | 32.2 | Very low | 33.6 | Very low | 135 Ų | 135 | 98.8 Ų | 98.8 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -74.4 | -37.3 | -171.1 | -88.5 | -175.5 | -27.4 | 0 | 0 | 114.2 | F1035 S1039 Q1040 | F1035-Q1037 PolarHBondContact O-N 2.66Å; Q1037-S1039 PolarHBondContact O-N 2.91Å; Q1037-S1039 VanDerWaalsContact O-N 3.15Å; Q1037-Q1040 PolarHBondContact O-N 2.87Å; Q1037-Q1040 VanDerWaalsContact O-N 3.16Å |
| 1038 | I | 32.2 | Very low | 33.2 | Very low | 65 Ų | 65 | 103.1 Ų | 103.1 | 33% | 0.333 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -28 | 178 | -64.2 | 174.7 | 0 | 0 | 0 | 111.5 | I1032 Q1040 S1041 I1042 | I1032-I1038 HydrophobicContact CG2-CD1 4.26Å; I1038-Q1040 PolarHBondContact O-N 3.06Å; I1038-S1041 PolarHBondContact O-N 2.98Å; I1038-I1042 HydrophobicContact CG2-CD1 3.73Å; I1038-I1042 HydrophobicContact CG2-CG1 4.39Å |
| 1039 | S | 30.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 105.8 Ų | 105.8 | 67% | 0.671 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.9 | -15.7 | 179.7 | -171.8 | 0 | 0 | 0 | 0 | 114.8 | H1036 Q1037 | H1036-S1039 WeakPolarHBondContact O-CB 3.38Å; H1036-S1039 PolarHBondContact O-N 3.32Å; Q1037-S1039 PolarHBondContact O-N 2.91Å; Q1037-S1039 VanDerWaalsContact O-N 3.15Å |
| 1040 | Q | 34 | Very low | 31.9 | Very low | 163 Ų | 163 | 110.6 Ų | 110.6 | 76% | 0.762 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -97.8 | -17.9 | 178.8 | -68.6 | -175.9 | -18.8 | 0 | 0 | 112.9 | Q1037 I1038 | Q1037-Q1040 PolarHBondContact O-N 2.87Å; Q1037-Q1040 VanDerWaalsContact O-N 3.16Å; I1038-Q1040 PolarHBondContact O-N 3.06Å |
| 1041 | S | 35.5 | Very low | 31.6 | Very low | 63 Ų | 63 | 115.1 Ų | 115.1 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -98.7 | -6.7 | -176.6 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | I1038 | I1038-S1041 PolarHBondContact O-N 2.98Å |
| 1042 | I | 31.1 | Very low | 31 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 39% | 0.39 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -122.1 | 105.1 | -178.4 | -55.1 | -176.8 | 0 | 0 | 0 | 109.7 | I1038 L1044 | I1038-I1042 HydrophobicContact CG2-CD1 3.73Å; I1038-I1042 HydrophobicContact CG2-CG1 4.39Å; I1042-L1044 HydrophobicContact CG2-CD1 4.24Å; I1042-L1044 PolarHBondContact O-N 3.14Å; I1042-L1044 VanDerWaalsContact O-N 3.15Å |
| 1043 | N | 25.6 | Very low | 30.3 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | trans | -71.1 | 102.2 | 178.7 | -171.3 | 11.6 | 0 | 0 | 0 | 110.4 | T1045 | N1043-T1045 PolarHBondContact OD1-OG1 2.97Š| ||
| 1044 | L | 29.6 | Very low | 29.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | trans | -133.3 | 64.6 | -171 | -134.5 | 169.4 | 0 | 0 | 0 | 112.4 | I1042 I1046 | I1042-L1044 HydrophobicContact CG2-CD1 4.24Å; I1042-L1044 PolarHBondContact O-N 3.14Å; I1042-L1044 VanDerWaalsContact O-N 3.15Å; L1044-I1046 PolarHBondContact O-N 3.23Å | ||
| 1045 | T | 26 | Very low | 29.4 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 23.9 | -167.4 | -24.3 | 0 | 0 | 0 | 0 | 116.2 | N1043 | N1043-T1045 PolarHBondContact OD1-OG1 2.97Š|
| 1046 | I | 27.9 | Very low | 29.4 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 68% | 0.677 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | -24.2 | -161.3 | -65.1 | -177.2 | 0 | 0 | 0 | 115 | L1044 H1048 | L1044-I1046 PolarHBondContact O-N 3.23Å; I1046-H1048 PolarHBondContact O-N 3.09Å |
| 1047 | I | 28.3 | Very low | 29.2 | Very low | 149 Ų | 149 | 137 Ų | 137 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -102 | 52.3 | -174.9 | -40.9 | -176.6 | 0 | 0 | 0 | 112.3 | ||
| 1048 | H | 27.4 | Very low | 29.2 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -139 | 37.2 | 170.5 | -152 | 87.9 | 0 | 0 | 0 | 112.4 | I1046 | I1046-H1048 PolarHBondContact O-N 3.09Š|
| 1049 | N | 28.4 | Very low | 28.9 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -126.8 | 14.5 | -169.6 | -114.7 | -18 | 0 | 0 | 0 | 114.6 | ||
| 1050 | S | 26.8 | Very low | 28.8 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -127.4 | -3.2 | -166.9 | -49.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1051 | I | 28.4 | Very low | 28.6 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -135.5 | 104.4 | 178.5 | -57.5 | -176.4 | 0 | 0 | 0 | 111.3 | ||
| 1052 | M | 28.7 | Very low | 28.2 | Very low | 169 Ų | 169 | 147 Ų | 147 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | 60.3 | 89.4 | 158 | -58.1 | -122.4 | 178.5 | 0 | 0 | 119 | L1054 | M1052-L1054 PolarHBondContact O-N 2.88Š| ||
| 1053 | N | 26.2 | Very low | 28.3 | Very low | 164 Ų | 164 | 151 Ų | 151 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -53 | 127.9 | 140 | -80.1 | -29.1 | 0 | 0 | 0 | 110 | ||||
| 1054 | L | 26.8 | Very low | 28.5 | Very low | 158 Ų | 158 | 150.8 Ų | 150.8 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -177.1 | 89.7 | 149.2 | -107.3 | 167.4 | 0 | 0 | 0 | 112.1 | M1052 | M1052-L1054 PolarHBondContact O-N 2.88Š| ||
| 1055 | K | 25.1 | Very low | 28.5 | Very low | 204 Ų | 204 | 155.4 Ų | 155.4 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 172.5 | 89.7 | 140.2 | -97.6 | 167 | -178.3 | -179.3 | 0 | 112.8 | ||||
| 1056 | D | 33.8 | Very low | 28.6 | Very low | 165 Ų | 165 | 158 Ų | 158 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | trans | -96.6 | 101.5 | 155.4 | -77.3 | -60.1 | 0 | 0 | 0 | 109.4 | ||||
| 1057 | I | 28.8 | Very low | 28.6 | Very low | 159 Ų | 159 | 159.5 Ų | 159.5 | 82% | 0.815 | 83% | 0.834 | S | S | * | * | trans | -140.6 | 127.2 | 152.7 | -60 | -173.9 | 0 | 0 | 0 | 107.2 | ||||
| 1058 | P | 31.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 157 Ų | 157 | 81% | 0.805 | 84% | 0.837 | S | S | * | * | trans | -90 | 172 | -159.8 | -10.7 | 30.8 | 0 | 0 | 0 | 116.4 | ||||
| 1059 | T | 26.5 | Very low | 28.5 | Very low | 143 Ų | 143 | 153.2 Ų | 153.2 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | trans | -75.3 | 149.3 | -179.7 | 39.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1060 | S | 28.6 | Very low | 28.4 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 79% | 0.79 | 84% | 0.841 | S | S | * | * | trans | -154 | 153.6 | 151.9 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1061 | M | 29.3 | Very low | 28.5 | Very low | 191 Ų | 191 | 157.1 Ų | 157.1 | 94% | 0.941 | 84% | 0.84 | S | S | * | * | trans | 58.6 | 87.8 | 174.2 | -65.5 | -168.1 | 167.4 | 0 | 0 | 118 | ||||
| 1062 | I | 27.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -79.9 | 129.5 | 153.1 | -65.5 | 160.6 | 0 | 0 | 0 | 108.3 | ||||
| 1063 | H | 31.9 | Very low | 28.1 | Very low | 162 Ų | 162 | 159.1 Ų | 159.1 | 75% | 0.75 | 84% | 0.837 | S | S | * | * | trans | -176.6 | 135.3 | 134.8 | -106.9 | -68.8 | 0 | 0 | 0 | 113.5 | ||||
| 1064 | N | 31.1 | Very low | 27.9 | Very low | 147 Ų | 147 | 154.2 Ų | 154.2 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | 57.7 | 88.1 | 157.3 | -57 | 6.6 | 0 | 0 | 0 | 117.8 | ||||
| 1065 | E | 29.5 | Very low | 27.6 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -96.8 | 115.2 | 166.8 | -67.3 | -172.9 | 137.5 | 0 | 0 | 112.3 | ||||
| 1066 | E | 28.3 | Very low | 27.5 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -114.5 | 140.7 | 148.3 | -74.8 | -169.9 | 124.7 | 0 | 0 | 108.2 | ||||
| 1067 | N | 27.1 | Very low | 27 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 61.8 | 57.7 | 165 | -62.5 | -57 | 0 | 0 | 0 | 119.8 | ||
| 1068 | A | 26.3 | Very low | 26.8 | Very low | 98 Ų | 98 | 152.2 Ų | 152.2 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -160 | 80 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1069 | A | 27.5 | Very low | 26.5 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 88% | 0.884 | 78% | 0.778 | S | S | * | * | trans | -128.5 | 22.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1071 | A1069-N1071 PolarHBondContact O-N 3.32Š| ||
| 1070 | K | 26.4 | Very low | 26.5 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -85.1 | 91.5 | 161.7 | -80.7 | -175.5 | 175.4 | 179.5 | 0 | 109.3 | ||||
| 1071 | N | 29.4 | Very low | 26.6 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | trans | -163.2 | 107.9 | 155.3 | -93.1 | -33.1 | 0 | 0 | 0 | 109.2 | A1069 | A1069-N1071 PolarHBondContact O-N 3.32Š| ||
| 1072 | L | 25.2 | Very low | 26.9 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | 66.3 | 81.8 | 100.4 | -92.8 | 109.3 | 0 | 0 | 0 | 115 | S1074 | L1072-S1074 WeakPolarHBondContact CD2-OG 3.37Š| |||
| 1073 | W | 22.3 | Very low | 27.3 | Very low | 239 Ų | 239 | 143.1 Ų | 143.1 | 91% | 0.905 | 72% | 0.723 | S | S | * | * | trans | -118.6 | 62.5 | 131.5 | -87.2 | 73.5 | 0 | 0 | 0 | 108.7 | F1075 | W1073-F1075 HydrophobicContact CE3-CE2 4.47Å; W1073-F1075 PolarHBondContact O-N 3.41Å | ||
| 1074 | S | 22.4 | Very low | 27.2 | Very low | 60 Ų | 60 | 139.1 Ų | 139.1 | 42% | 0.42 | 71% | 0.707 | S | S | . | * | trans | -80.1 | 102.6 | 177.5 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | L1072 N1076 | L1072-S1074 WeakPolarHBondContact CD2-OG 3.37Å; S1074-N1076 PolarHBondContact O-N 2.92Å | ||
| 1075 | F | 21.6 | Very low | 27.3 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | -72.6 | 77.9 | 164.8 | -99.3 | -85.9 | 0 | 0 | 0 | 109.9 | W1073 F1077 | W1073-F1075 HydrophobicContact CE3-CE2 4.47Å; W1073-F1075 PolarHBondContact O-N 3.41Å; F1075-F1077 PolarHBondContact O-N 3.49Å; F1075-F1077 VanDerWaalsContact O-N 3.11Å | ||
| 1076 | N | 22 | Very low | 27.6 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | trans | -71.3 | 101.5 | 173.8 | -71.8 | -7.2 | 0 | 0 | 0 | 109.4 | S1074 H1078 | S1074-N1076 PolarHBondContact O-N 2.92Å; N1076-H1078 PolarHBondContact O-N 3.3Å | ||
| 1077 | F | 22.8 | Very low | 27.8 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | trans | -69.6 | 84.4 | 160.3 | -89.1 | -87.7 | 0 | 0 | 0 | 109.4 | F1075 M1079 | F1075-F1077 PolarHBondContact O-N 3.49Å; F1075-F1077 VanDerWaalsContact O-N 3.11Å; F1077-M1079 VanDerWaalsContact C-N 3.32Å; F1077-M1079 PolarHBondContact O-N 3.11Å | ||
| 1078 | H | 24.7 | Very low | 27.9 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | trans | -70.8 | 90.6 | 162.2 | -89.2 | -58.1 | 0 | 0 | 0 | 109.1 | N1076 | N1076-H1078 PolarHBondContact O-N 3.3Š| ||
| 1079 | M | 24.9 | Very low | 28 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 44% | 0.443 | 66% | 0.657 | S | S | . | * | trans | -83.7 | 137.3 | 146.2 | -75.5 | 173.4 | 62.2 | 0 | 0 | 107.8 | F1077 L1084 L1137 | F1077-M1079 VanDerWaalsContact C-N 3.32Å; F1077-M1079 PolarHBondContact O-N 3.11Å; M1079-L1084 HydrophobicContact CE-CD2 4.03Å; M1079-L1084 HydrophobicContact CE-CG 4.11Å; M1079-L1137 HydrophobicContact SD-CD2 4.43Å | ||
| 1080 | S | 28.2 | Very low | 27.9 | Very low | 47 Ų | 47 | 131.9 Ų | 131.9 | 33% | 0.329 | 65% | 0.651 | S | S | . | * | trans | -73.4 | 155.9 | 176.2 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | D1082 E1083 L1084 | S1080-D1082 PolarHBondContact O-N 3.02Å; S1080-E1083 VanDerWaalsContact CB-OE2 3.28Å; S1080-E1083 WeakPolarHBondContact CB-OE2 3.39Å; S1080-E1083 PolarHBondContact N-OE2 2.77Å; S1080-E1083 PolarHBondContact O-N 3.46Å; S1080-E1083 VanDerWaalsContact OG-CD 3.25Å; S1080-E1083 VanDerWaalsContact OG-CG 3.23Å; S1080-E1083 WeakPolarHBondContact OG-CG 3.39Å; S1080-E1083 PolarHBondContact OG-N 2.88Å; S1080-E1083 PolarHBondContact OG-OE2 2.83Å; S1080-L1084 PolarHBondContact O-N 3Å | ||
| 1081 | H | 29.7 | Very low | 28.1 | Very low | 168 Ų | 168 | 129 Ų | 129 | 78% | 0.778 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.8 | -23.1 | 177.1 | -156.4 | -49.6 | 0 | 0 | 0 | 112 | ||
| 1082 | D | 35.5 | Very low | 27.9 | Very low | 128 Ų | 128 | 128 Ų | 128 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.7 | -41.7 | 175.9 | -59.6 | -47.2 | 0 | 0 | 0 | 111.6 | S1080 L1084 S1085 | S1080-D1082 PolarHBondContact O-N 3.02Å; D1082-L1084 VanDerWaalsContact C-N 3.33Å; D1082-L1084 PolarHBondContact O-N 3.29Å; D1082-S1085 WeakPolarHBondContact O-CB 3.16Å; D1082-S1085 PolarHBondContact O-N 3.24Å; D1082-S1085 VanDerWaalsContact O-N 3.09Å; D1082-S1085 PolarHBondContact O-OG 3Å |
| 1083 | E | 35.9 | Very low | 28.1 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 50% | 0.5 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -61 | -39.6 | 177.7 | -76.3 | 162.2 | 126.4 | 0 | 0 | 112.4 | S1080 S1085 S1086 | S1080-E1083 VanDerWaalsContact CB-OE2 3.28Å; S1080-E1083 WeakPolarHBondContact CB-OE2 3.39Å; S1080-E1083 PolarHBondContact N-OE2 2.77Å; S1080-E1083 PolarHBondContact O-N 3.46Å; S1080-E1083 VanDerWaalsContact OG-CD 3.25Å; S1080-E1083 VanDerWaalsContact OG-CG 3.23Å; S1080-E1083 WeakPolarHBondContact OG-CG 3.39Å; S1080-E1083 PolarHBondContact OG-N 2.88Å; S1080-E1083 PolarHBondContact OG-OE2 2.83Å; E1083-S1085 VanDerWaalsContact C-N 3.29Å; E1083-S1085 PolarHBondContact O-N 3.1Å; E1083-S1086 PolarHBondContact O-N 2.92Å; E1083-S1086 PolarHBondContact O-OG 3.33Å |
| 1084 | L | 31.1 | Very low | 28.4 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 41% | 0.414 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.2 | -29.1 | 175.3 | -82.9 | 164.6 | 0 | 0 | 0 | 113.4 | M1079 S1080 D1082 S1086 | M1079-L1084 HydrophobicContact CE-CD2 4.03Å; M1079-L1084 HydrophobicContact CE-CG 4.11Å; S1080-L1084 PolarHBondContact O-N 3Å; D1082-L1084 VanDerWaalsContact C-N 3.33Å; D1082-L1084 PolarHBondContact O-N 3.29Å; L1084-S1086 VanDerWaalsContact C-N 3.25Å; L1084-S1086 PolarHBondContact O-N 3.41Å |
| 1085 | S | 33.4 | Very low | 28.7 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.7 | -27.6 | -180 | 77.7 | 0 | 0 | 0 | 0 | 113 | D1082 E1083 Y1087 | D1082-S1085 WeakPolarHBondContact O-CB 3.16Å; D1082-S1085 PolarHBondContact O-N 3.24Å; D1082-S1085 VanDerWaalsContact O-N 3.09Å; D1082-S1085 PolarHBondContact O-OG 3Å; E1083-S1085 VanDerWaalsContact C-N 3.29Å; E1083-S1085 PolarHBondContact O-N 3.1Å; S1085-Y1087 VanDerWaalsContact C-N 3.3Å; S1085-Y1087 PolarHBondContact O-N 3.18Å |
| 1086 | S | 35.2 | Very low | 29.1 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 57% | 0.573 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -19.4 | -175.8 | 69.9 | 0 | 0 | 0 | 0 | 114.8 | E1083 L1084 | E1083-S1086 PolarHBondContact O-N 2.92Å; E1083-S1086 PolarHBondContact O-OG 3.33Å; L1084-S1086 VanDerWaalsContact C-N 3.25Å; L1084-S1086 PolarHBondContact O-N 3.41Å |
| 1087 | Y | 33 | Very low | 29.6 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 70% | 0.698 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -6.5 | -176.9 | -78 | -85.8 | 0 | 0 | 0 | 114.6 | S1085 | S1085-Y1087 VanDerWaalsContact C-N 3.3Å; S1085-Y1087 PolarHBondContact O-N 3.18Å |
| 1088 | F | 29.4 | Very low | 30 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 62% | 0.618 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -126.4 | 53.3 | -175.5 | -72.3 | -79.9 | 0 | 0 | 0 | 113.1 | ||
| 1089 | L | 27.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | trans | -122.9 | 126.2 | 169.3 | -81.4 | 168.6 | 0 | 0 | 0 | 111.3 | T1091 | L1089-T1091 PolarHBondContact O-N 3.06Š| ||
| 1090 | P | 26.4 | Very low | 30.9 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | trans | -79.2 | 118.9 | 178.3 | 31.4 | -32.9 | 0 | 0 | 0 | 111.1 | T1092 | P1090-T1092 PolarHBondContact O-N 3.19Š| ||
| 1091 | T | 29.5 | Very low | 31.1 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 87% | 0.865 | 69% | 0.693 | S | S | * | * | trans | -72.4 | 109.2 | 172.6 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | L1089 | L1089-T1091 PolarHBondContact O-N 3.06Š| ||
| 1092 | T | 26.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -71.6 | 139.3 | 171.8 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | P1090 | P1090-T1092 PolarHBondContact O-N 3.19Š| ||
| 1093 | I | 29.7 | Very low | 31.2 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 86% | 0.862 | 69% | 0.694 | S | S | * | * | trans | -134.5 | 140.9 | 158.1 | -64.4 | -174.3 | 0 | 0 | 0 | 108 | ||||
| 1094 | N | 26.9 | Very low | 31.1 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | -95 | 151.4 | -168.1 | -53 | -50.7 | 0 | 0 | 0 | 113.7 | ||||
| 1095 | T | 30.7 | Very low | 31 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 77% | 0.767 | 71% | 0.714 | S | S | * | * | -165 | 106.8 | 129.4 | 36.5 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1096 | T | 28.7 | Very low | 31 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | 50.9 | 116.2 | 97.5 | 60 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1097 | D | 31.7 | Very low | 31 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | -147.7 | 156.9 | 56 | -98.7 | -53.1 | 0 | 0 | 0 | 118.1 | |||||
| 1098 | N | 32.1 | Very low | 30.7 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | -30.1 | 152.4 | 165 | -51.6 | -79.3 | 0 | 0 | 0 | 116.7 | ||||
| 1099 | N | 34.5 | Very low | 30.8 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | -172.3 | 163.7 | 53.7 | -126.6 | -32 | 0 | 0 | 0 | 115.3 | |||||
| 1100 | T | 33.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 136 Ų | 136 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | trans | 56.5 | 110 | 157.4 | 51.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1101 | N | 33.8 | Very low | 31.3 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | 82.9 | 138 | 85.3 | -68.8 | -5.5 | 0 | 0 | 0 | 114 | |||||
| 1102 | S | 34.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | cis | -160 | 160.7 | 5.1 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1103 | N | 31.3 | Very low | 31.3 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 17.3 | 143.7 | 147.8 | -53.9 | 6.5 | 0 | 0 | 0 | 119.7 | ||||
| 1104 | D | 33.8 | Very low | 31.2 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | -157 | -165 | 50.6 | -139.7 | -41.4 | 0 | 0 | 0 | 115.5 | |||||
| 1105 | S | 29.7 | Very low | 31.2 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 56% | 0.559 | 74% | 0.739 | S | S | * | * | trans | -137.9 | 168.2 | -150.4 | 57.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1106 | N | 34.6 | Very low | 31.1 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 84.7 | 111.1 | 165.6 | -46.3 | -62.6 | 0 | 0 | 0 | 119.3 | ||||
| 1107 | N | 34 | Very low | 31.2 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | -160.9 | 163.7 | 96.4 | -113 | -29.3 | 0 | 0 | 0 | 113.1 | |||||
| 1108 | K | 26.5 | Very low | 31 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -144.5 | 170.7 | -174.1 | -108.9 | -168.7 | -179.7 | -174 | 0 | 111.8 | ||||
| 1109 | D | 32.1 | Very low | 30.8 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | 68.8 | 106.3 | 157.9 | -52.6 | -30.1 | 0 | 0 | 0 | 120.4 | ||||
| 1110 | Q | 32.8 | Very low | 30.5 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | -169 | 111.8 | 123.5 | -100.5 | 165.7 | 40.3 | 0 | 0 | 109.5 | |||||
| 1111 | I | 30.2 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | 65.7 | 96.5 | 90.1 | -64.9 | 172.7 | 0 | 0 | 0 | 111.2 | |||||
| 1112 | S | 26 | Very low | 29.7 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 82.8 | 118.4 | 64.3 | -68 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1113 | N | 30.1 | Very low | 29.3 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | 165.3 | 168.6 | 127 | -85.7 | -36.9 | 0 | 0 | 0 | 113.7 | |||||
| 1114 | T | 28.7 | Very low | 29.1 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | 84.2 | 100.3 | -178.5 | -37.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1115 | I | 25.7 | Very low | 28.8 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 68% | 0.677 | 77% | 0.77 | S | S | * | * | cis | 62.8 | 113.1 | 22.4 | -49.9 | 174.5 | 0 | 0 | 0 | 110.9 | ||||
| 1116 | Q | 29.3 | Very low | 28.7 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | cis | -146.5 | -172.4 | 15.3 | -131.5 | 175.7 | 50.9 | 0 | 0 | 108 | ||||
| 1117 | S | 30.5 | Very low | 28.5 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -153.2 | 175.1 | 10.1 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1118 | S | 27.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -71.8 | 147.8 | 179.2 | 51.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1119 | N | 29.1 | Very low | 28.8 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | -162.1 | 105.2 | 113.7 | -118.1 | -15.4 | 0 | 0 | 0 | 115.3 | |||||
| 1120 | I | 26.6 | Very low | 29 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | 27.4 | 104 | 143.7 | -50.2 | 171.5 | 0 | 0 | 0 | 118.2 | ||||
| 1121 | N | 25.5 | Very low | 29 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | -179.4 | 77.2 | 130.9 | -95.2 | -25.1 | 0 | 0 | 0 | 110.4 | ||||
| 1122 | E | 25.5 | Very low | 29.4 | Very low | 195 Ų | 195 | 127.1 Ų | 127.1 | 91% | 0.911 | 69% | 0.694 | S | S | * | * | trans | -98 | 121.4 | 168.7 | -72.1 | -166.4 | 120.5 | 0 | 0 | 110.7 | ||||
| 1123 | I | 27.2 | Very low | 30.2 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 80% | 0.795 | 68% | 0.679 | S | S | * | * | trans | -131.2 | 106.2 | 162.2 | -61.6 | -178 | 0 | 0 | 0 | 107.7 | ||||
| 1124 | I | 27.1 | Very low | 30.6 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | trans | 23.6 | 100.2 | 158 | -50.4 | 175.2 | 0 | 0 | 0 | 116 | G1126 | I1124-G1126 PolarHBondContact O-N 3.02Š| ||
| 1125 | K | 26.7 | Very low | 31.3 | Very low | 213 Ų | 213 | 128.5 Ų | 128.5 | 93% | 0.926 | 66% | 0.664 | S | S | * | * | trans | -84.1 | 96 | 160.6 | -75.4 | 178.2 | 177.5 | 171.6 | 0 | 109.8 | ||||
| 1126 | G | 28.1 | Very low | 32.5 | Very low | 51 Ų | 51 | 125.7 Ų | 125.7 | 53% | 0.526 | 65% | 0.65 | S | S | . | * | trans | -82.6 | 138.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1124 E1130 | I1124-G1126 PolarHBondContact O-N 3.02Å; G1126-E1130 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 1127 | S | 28.9 | Very low | 33.3 | Very low | 50 Ų | 50 | 120.1 Ų | 120.1 | 35% | 0.35 | 63% | 0.626 | S | S | . | * | trans | -82.3 | 160.7 | 173.7 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | K1129 E1130 | S1127-K1129 PolarHBondContact O-N 3.37Å; S1127-E1130 VanDerWaalsContact CB-OE1 3.28Å; S1127-E1130 WeakPolarHBondContact CB-OE1 3.33Å; S1127-E1130 PolarHBondContact N-OE1 2.91Å; S1127-E1130 PolarHBondContact O-N 3.5Å; S1127-E1130 PolarHBondContact OG-OE1 3.42Å | ||
| 1128 | P | 32 | Very low | 34.2 | Very low | 116 Ų | 116 | 119 Ų | 119 | 75% | 0.753 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -15.7 | 175.5 | -27.2 | 36.1 | 0 | 0 | 0 | 115.4 | ||
| 1129 | K | 34.9 | Very low | 35.1 | Very low | 171 Ų | 171 | 115.3 Ų | 115.3 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -24.3 | 173.7 | -77.8 | -176 | 172.2 | -179.5 | 0 | 113.5 | S1127 I1131 S1132 | S1127-K1129 PolarHBondContact O-N 3.37Å; K1129-I1131 VanDerWaalsContact C-N 3.32Å; K1129-S1132 PolarHBondContact O-OG 3.04Å |
| 1130 | E | 37.6 | Very low | 36.2 | Very low | 74 Ų | 74 | 114.3 Ų | 114.3 | 35% | 0.346 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -76.3 | -24.1 | 179.3 | -72.8 | 146.5 | -108.4 | 0 | 0 | 112.2 | G1126 S1127 S1132 I1133 W1134 | G1126-E1130 WeakPolarHBondContact CA-OE2 3.49Å; S1127-E1130 VanDerWaalsContact CB-OE1 3.28Å; S1127-E1130 WeakPolarHBondContact CB-OE1 3.33Å; S1127-E1130 PolarHBondContact N-OE1 2.91Å; S1127-E1130 PolarHBondContact O-N 3.5Å; S1127-E1130 PolarHBondContact OG-OE1 3.42Å; E1130-S1132 VanDerWaalsContact C-N 3.3Å; E1130-S1132 PolarHBondContact O-N 3.11Å; E1130-I1133 PolarHBondContact O-N 2.85Å; E1130-I1133 VanDerWaalsContact O-N 3.17Å; E1130-W1134 PolarHBondContact O-N 2.83Å |
| 1131 | I | 33.1 | Very low | 37.4 | Very low | 121 Ų | 121 | 110.6 Ų | 110.6 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -35.2 | 175.4 | -60.2 | 176.9 | 0 | 0 | 0 | 111.1 | K1129 R1135 | K1129-I1131 VanDerWaalsContact C-N 3.32Å; I1131-R1135 WeakPolarHBondContact O-CB 3.3Å; I1131-R1135 PolarHBondContact O-N 2.91Å |
| 1132 | S | 37.8 | Very low | 38.4 | Very low | 48 Ų | 48 | 103.8 Ų | 103.8 | 34% | 0.336 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.4 | -35.4 | 173.9 | 62 | 0 | 0 | 0 | 0 | 112.5 | K1129 E1130 R1135 D1136 | K1129-S1132 PolarHBondContact O-OG 3.04Å; E1130-S1132 VanDerWaalsContact C-N 3.3Å; E1130-S1132 PolarHBondContact O-N 3.11Å; S1132-R1135 PolarHBondContact O-N 3.08Å; S1132-D1136 WeakPolarHBondContact O-CB 3.19Å; S1132-D1136 PolarHBondContact O-N 2.99Å |
| 1133 | I | 42.2 | Very low | 39.6 | Very low | 74 Ų | 74 | 101.5 Ų | 101.5 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 175.5 | -60.6 | 174.2 | 0 | 0 | 0 | 110 | E1130 D1136 L1137 | E1130-I1133 PolarHBondContact O-N 2.85Å; E1130-I1133 VanDerWaalsContact O-N 3.17Å; I1133-D1136 PolarHBondContact O-N 2.88Å; I1133-L1137 HydrophobicContact CG2-CD1 4.5Å; I1133-L1137 WeakPolarHBondContact O-CB 3.45Å; I1133-L1137 PolarHBondContact O-N 2.81Å |
| 1134 | W | 38.8 | Very low | 40.9 | Very low | 185 Ų | 185 | 102.3 Ų | 102.3 | 70% | 0.701 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 174.9 | -86.9 | 102.9 | 0 | 0 | 0 | 113 | E1130 D1136 F1138 | E1130-W1134 PolarHBondContact O-N 2.83Å; W1134-D1136 VanDerWaalsContact C-N 3.34Å; W1134-D1136 PolarHBondContact O-N 3.42Å; W1134-F1138 VanDerWaalsContact O-CB 3.23Å; W1134-F1138 WeakPolarHBondContact O-CB 3.4Å; W1134-F1138 PolarHBondContact O-N 2.82Å |
| 1135 | R | 44.1 | Very low | 42.2 | Very low | 139 Ų | 139 | 100.4 Ų | 100.4 | 53% | 0.525 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 172.2 | -177.4 | -162 | 68.7 | -167.6 | -4.7 | 110.7 | I1131 S1132 F1138 V1139 | I1131-R1135 WeakPolarHBondContact O-CB 3.3Å; I1131-R1135 PolarHBondContact O-N 2.91Å; S1132-R1135 PolarHBondContact O-N 3.08Å; R1135-F1138 PolarHBondContact O-N 2.97Å; R1135-V1139 WeakPolarHBondContact O-CB 3.36Å; R1135-V1139 VanDerWaalsContact O-CG2 3.24Å; R1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; R1135-V1139 PolarHBondContact O-N 3.3Å |
| 1136 | D | 49.5 | Very low | 43 | Very low | 73 Ų | 73 | 93.1 Ų | 93.1 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.5 | -36.4 | -172.4 | -64 | -15.2 | 0 | 0 | 0 | 111.7 | S1132 I1133 W1134 V1139 M1140 | S1132-D1136 WeakPolarHBondContact O-CB 3.19Å; S1132-D1136 PolarHBondContact O-N 2.99Å; I1133-D1136 PolarHBondContact O-N 2.88Å; W1134-D1136 VanDerWaalsContact C-N 3.34Å; W1134-D1136 PolarHBondContact O-N 3.42Å; D1136-V1139 PolarHBondContact O-N 3.43Å; D1136-M1140 WeakPolarHBondContact O-CG 3.25Å; D1136-M1140 PolarHBondContact O-N 2.86Å |
| 1137 | L | 47.1 | Very low | 44.2 | Very low | 68 Ų | 68 | 92.7 Ų | 92.7 | 36% | 0.356 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 167.9 | -120.8 | 87.1 | 0 | 0 | 0 | 111.3 | M1079 I1133 V1139 M1140 T1141 | M1079-L1137 HydrophobicContact SD-CD2 4.43Å; I1133-L1137 HydrophobicContact CG2-CD1 4.5Å; I1133-L1137 WeakPolarHBondContact O-CB 3.45Å; I1133-L1137 PolarHBondContact O-N 2.81Å; L1137-V1139 VanDerWaalsContact C-N 3.29Å; L1137-V1139 PolarHBondContact O-N 3.15Å; L1137-M1140 WeakPolarHBondContact O-CB 3.39Å; L1137-M1140 PolarHBondContact O-N 2.95Å; L1137-M1140 VanDerWaalsContact O-N 3.09Å; L1137-T1141 PolarHBondContact O-N 3.22Å; L1137-T1141 PolarHBondContact O-OG1 2.91Å |
| 1138 | F | 48.8 | Very low | 45.5 | Very low | 78 Ų | 78 | 93.8 Ų | 93.8 | 34% | 0.342 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | -178.4 | -160.6 | -94.7 | 0 | 0 | 0 | 111.8 | W1134 R1135 T1141 L1142 I1159 | W1134-F1138 VanDerWaalsContact O-CB 3.23Å; W1134-F1138 WeakPolarHBondContact O-CB 3.4Å; W1134-F1138 PolarHBondContact O-N 2.82Å; R1135-F1138 PolarHBondContact O-N 2.97Å; F1138-T1141 PolarHBondContact O-N 3.01Å; F1138-L1142 HydrophobicContact CD1-CD1 3.74Å; F1138-L1142 HydrophobicContact CD1-CD2 4.5Å; F1138-L1142 HydrophobicContact CD1-CG 3.85Å; F1138-L1142 HydrophobicContact CE1-CD1 3.69Å; F1138-L1142 HydrophobicContact CE1-CD2 3.9Å; F1138-L1142 HydrophobicContact CE1-CG 3.75Å; F1138-L1142 HydrophobicContact CZ-CD2 4.44Å; F1138-L1142 WeakPolarHBondContact O-CB 3.46Å; F1138-L1142 WeakPolarHBondContact O-CG 3.47Å; F1138-L1142 PolarHBondContact O-N 2.76Å; F1138-I1159 HydrophobicContact CD1-CD1 4.17Å; F1138-I1159 HydrophobicContact CE1-CD1 3.28Å; F1138-I1159 HydrophobicContact CZ-CD1 3.6Å |
| 1139 | V | 47.4 | Very low | 46.5 | Very low | 20 Ų | 20 | 93.7 Ų | 93.7 | 12% | 0.121 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 171.6 | 162.5 | 0 | 0 | 0 | 0 | 112 | R1135 D1136 L1137 K1143 Y1152 L1156 | R1135-V1139 WeakPolarHBondContact O-CB 3.36Å; R1135-V1139 VanDerWaalsContact O-CG2 3.24Å; R1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; R1135-V1139 PolarHBondContact O-N 3.3Å; D1136-V1139 PolarHBondContact O-N 3.43Å; L1137-V1139 VanDerWaalsContact C-N 3.29Å; L1137-V1139 PolarHBondContact O-N 3.15Å; V1139-K1143 WeakPolarHBondContact O-CG 3.48Å; V1139-K1143 PolarHBondContact O-N 2.82Å; V1139-K1143 VanDerWaalsContact O-N 3.14Å; V1139-Y1152 HydrophobicContact CB-CE2 4.48Å; V1139-Y1152 HydrophobicContact CG1-CE2 4.14Å; V1139-Y1152 WeakPolarHBondContact CG1-OH 3.35Å; V1139-Y1152 HydrophobicContact CG2-CE2 4.1Å; V1139-Y1152 WeakPolarHBondContact CG2-OH 3.47Å; V1139-L1156 HydrophobicContact CG2-CD1 4.44Å; V1139-L1156 HydrophobicContact CG2-CD2 4.46Å |
| 1140 | M | 52.4 | Low | 47.4 | Very low | 122 Ų | 122 | 90.5 Ų | 90.5 | 60% | 0.601 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 172.1 | -71.2 | -172.4 | 69.6 | 0 | 0 | 111.5 | D1136 L1137 K1143 Q1144 | D1136-M1140 WeakPolarHBondContact O-CG 3.25Å; D1136-M1140 PolarHBondContact O-N 2.86Å; L1137-M1140 WeakPolarHBondContact O-CB 3.39Å; L1137-M1140 PolarHBondContact O-N 2.95Å; L1137-M1140 VanDerWaalsContact O-N 3.09Å; M1140-K1143 PolarHBondContact O-N 3.2Å; M1140-Q1144 PolarHBondContact O-N 3.24Å |
| 1141 | T | 50.8 | Low | 48.5 | Very low | 63 Ų | 63 | 87.5 Ų | 87.5 | 39% | 0.387 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | L1137 F1138 K1143 Q1144 I1145 | L1137-T1141 PolarHBondContact O-N 3.22Å; L1137-T1141 PolarHBondContact O-OG1 2.91Å; F1138-T1141 PolarHBondContact O-N 3.01Å; T1141-K1143 VanDerWaalsContact C-N 3.34Å; T1141-K1143 PolarHBondContact O-N 3.21Å; T1141-Q1144 WeakPolarHBondContact O-CB 3.41Å; T1141-Q1144 PolarHBondContact O-N 3.01Å; T1141-Q1144 VanDerWaalsContact O-N 3.09Å; T1141-I1145 HydrophobicContact CG2-CD1 4.12Å; T1141-I1145 WeakPolarHBondContact O-CG1 3.46Å; T1141-I1145 PolarHBondContact O-N 2.94Å |
| 1142 | L | 46.5 | Very low | 49.7 | Very low | 11 Ų | 11 | 84 Ų | 84 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 176.2 | -73.2 | -179.8 | 0 | 0 | 0 | 112.3 | F1138 Q1144 I1145 I1147 Y1152 I1155 | F1138-L1142 HydrophobicContact CD1-CD1 3.74Å; F1138-L1142 HydrophobicContact CD1-CD2 4.5Å; F1138-L1142 HydrophobicContact CD1-CG 3.85Å; F1138-L1142 HydrophobicContact CE1-CD1 3.69Å; F1138-L1142 HydrophobicContact CE1-CD2 3.9Å; F1138-L1142 HydrophobicContact CE1-CG 3.75Å; F1138-L1142 HydrophobicContact CZ-CD2 4.44Å; F1138-L1142 WeakPolarHBondContact O-CB 3.46Å; F1138-L1142 WeakPolarHBondContact O-CG 3.47Å; F1138-L1142 PolarHBondContact O-N 2.76Å; L1142-Q1144 VanDerWaalsContact C-N 3.28Å; L1142-Q1144 PolarHBondContact O-N 3.32Å; L1142-I1145 PolarHBondContact O-N 3.32Å; L1142-I1147 HydrophobicContact CD2-CD1 4.13Å; L1142-Y1152 HydrophobicContact CB-CD2 4.28Å; L1142-Y1152 HydrophobicContact CD1-CD2 4.1Å; L1142-Y1152 HydrophobicContact CD1-CE2 4.4Å; L1142-I1155 HydrophobicContact CD1-CG2 4.1Å; L1142-I1155 HydrophobicContact CD2-CG2 4.19Å |
| 1143 | K | 50.7 | Low | 50.6 | Low | 148 Ų | 148 | 87.7 Ų | 87.7 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.2 | -34 | 173.8 | -79.5 | -179.3 | 175.5 | 179.8 | 0 | 112.4 | V1139 M1140 T1141 I1145 G1146 | V1139-K1143 WeakPolarHBondContact O-CG 3.48Å; V1139-K1143 PolarHBondContact O-N 2.82Å; V1139-K1143 VanDerWaalsContact O-N 3.14Å; M1140-K1143 PolarHBondContact O-N 3.2Å; T1141-K1143 VanDerWaalsContact C-N 3.34Å; T1141-K1143 PolarHBondContact O-N 3.21Å; K1143-I1145 VanDerWaalsContact C-N 3.27Å; K1143-I1145 PolarHBondContact O-N 3.1Å; K1143-G1146 PolarHBondContact O-N 3.22Å |
| 1144 | Q | 54.5 | Low | 51.4 | Low | 172 Ų | 172 | 85.5 Ų | 85.5 | 80% | 0.804 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.8 | -20.7 | 176.4 | -119.9 | 173.1 | -6.6 | 0 | 0 | 113.7 | M1140 T1141 L1142 | M1140-Q1144 PolarHBondContact O-N 3.24Å; T1141-Q1144 WeakPolarHBondContact O-CB 3.41Å; T1141-Q1144 PolarHBondContact O-N 3.01Å; T1141-Q1144 VanDerWaalsContact O-N 3.09Å; L1142-Q1144 VanDerWaalsContact C-N 3.28Å; L1142-Q1144 PolarHBondContact O-N 3.32Å |
| 1145 | I | 54 | Low | 52.6 | Low | 112 Ų | 112 | 76.7 Ų | 76.7 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.7 | -179.4 | -62.5 | 161.7 | 0 | 0 | 0 | 112.2 | T1141 L1142 K1143 I1147 | T1141-I1145 HydrophobicContact CG2-CD1 4.12Å; T1141-I1145 WeakPolarHBondContact O-CG1 3.46Å; T1141-I1145 PolarHBondContact O-N 2.94Å; L1142-I1145 PolarHBondContact O-N 3.32Å; K1143-I1145 VanDerWaalsContact C-N 3.27Å; K1143-I1145 PolarHBondContact O-N 3.1Å; I1145-I1147 HydrophobicContact CB-CG1 4.39Å; I1145-I1147 HydrophobicContact CG2-CD1 4.1Å; I1145-I1147 HydrophobicContact CG2-CG1 3.99Å |
| 1146 | G | 43.3 | Very low | 53.4 | Low | 59 Ų | 59 | 71.7 Ų | 71.7 | 61% | 0.608 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 25 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1143 | K1143-G1146 PolarHBondContact O-N 3.22Š|
| 1147 | I | 53.7 | Low | 53.9 | Low | 42 Ų | 42 | 70.1 Ų | 70.1 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -75.6 | 135.9 | 179.4 | -55.8 | 179.3 | 0 | 0 | 0 | 110.2 | L1142 I1145 C1151 I1155 | L1142-I1147 HydrophobicContact CD2-CD1 4.13Å; I1145-I1147 HydrophobicContact CB-CG1 4.39Å; I1145-I1147 HydrophobicContact CG2-CD1 4.1Å; I1145-I1147 HydrophobicContact CG2-CG1 3.99Å; I1147-C1151 HydrophobicContact CG2-CB 3.5Å; I1147-C1151 VanDerWaalsContact CG2-CB 3.5Å; I1147-I1155 HydrophobicContact CD1-CD1 3.75Å; I1147-I1155 HydrophobicContact CG2-CD1 4.22Å | ||
| 1148 | N | 56.8 | Low | 54.6 | Low | 74 Ų | 74 | 67 Ų | 67 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | trans | -57 | 144.1 | 175.3 | 179.7 | 21.7 | 0 | 0 | 0 | 112 | D1150 C1151 Y1152 | N1148-D1150 PolarHBondContact ND2-OD2 3.29Å; N1148-D1150 PolarHBondContact O-N 3.47Å; N1148-D1150 VanDerWaalsContact O-N 3.17Å; N1148-C1151 PolarHBondContact O-N 3.43Å; N1148-Y1152 PolarHBondContact O-N 2.96Å | ||
| 1149 | N | 52.9 | Low | 55.1 | Low | 114 Ų | 114 | 65.3 Ų | 65.3 | 61% | 0.61 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -49.3 | -40.6 | 177.2 | -78.1 | -17 | 0 | 0 | 0 | 113 | C1151 Y1152 H1153 | N1149-C1151 VanDerWaalsContact C-N 3.31Å; N1149-C1151 PolarHBondContact O-N 3.24Å; N1149-Y1152 WeakPolarHBondContact O-CB 3.41Å; N1149-Y1152 PolarHBondContact O-N 2.93Å; N1149-H1153 PolarHBondContact O-CD2 2.83Å; N1149-H1153 VanDerWaalsContact O-CD2 3.28Å; N1149-H1153 PolarHBondContact O-N 3.05Å |
| 1150 | D | 54.3 | Low | 55.3 | Low | 104 Ų | 104 | 70.9 Ų | 70.9 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | 179.9 | -51.5 | -47.2 | 0 | 0 | 0 | 111.5 | N1148 | N1148-D1150 PolarHBondContact ND2-OD2 3.29Å; N1148-D1150 PolarHBondContact O-N 3.47Å; N1148-D1150 VanDerWaalsContact O-N 3.17Å |
| 1151 | C | 60 | Low | 55.4 | Low | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -77.3 | -28.7 | 175.3 | -92.3 | 0 | 0 | 0 | 0 | 113.6 | I1147 N1148 N1149 L1154 I1155 C1200 | I1147-C1151 HydrophobicContact CG2-CB 3.5Å; I1147-C1151 VanDerWaalsContact CG2-CB 3.5Å; N1148-C1151 PolarHBondContact O-N 3.43Å; N1149-C1151 VanDerWaalsContact C-N 3.31Å; N1149-C1151 PolarHBondContact O-N 3.24Å; C1151-L1154 WeakPolarHBondContact O-CB 3.36Å; C1151-L1154 PolarHBondContact O-N 2.71Å; C1151-I1155 WeakPolarHBondContact O-CG1 3.38Å; C1151-I1155 PolarHBondContact O-N 3.14Å; C1151-C1200 HydrophobicContact CB-CB 3.83Å; C1151-C1200 WeakPolarHBondContact CB-SG 3.34Å; C1151-C1200 WeakPolarHBondContact SG-CA 3.26Å; C1151-C1200 WeakPolarHBondContact SG-CB 3.46Å; C1151-C1200 CovalentContact SG-SG 2.03Å; C1151-C1200 PolarHBondContact SG-SG 3Å |
| 1152 | Y | 57.3 | Low | 55.5 | Low | 47 Ų | 47 | 66.1 Ų | 66.1 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.4 | 163.2 | -88.6 | 0 | 0 | 0 | 111.6 | V1139 L1142 N1148 N1149 L1154 L1156 | V1139-Y1152 HydrophobicContact CB-CE2 4.48Å; V1139-Y1152 HydrophobicContact CG1-CE2 4.14Å; V1139-Y1152 WeakPolarHBondContact CG1-OH 3.35Å; V1139-Y1152 HydrophobicContact CG2-CE2 4.1Å; V1139-Y1152 WeakPolarHBondContact CG2-OH 3.47Å; L1142-Y1152 HydrophobicContact CB-CD2 4.28Å; L1142-Y1152 HydrophobicContact CD1-CD2 4.1Å; L1142-Y1152 HydrophobicContact CD1-CE2 4.4Å; N1148-Y1152 PolarHBondContact O-N 2.96Å; N1149-Y1152 WeakPolarHBondContact O-CB 3.41Å; N1149-Y1152 PolarHBondContact O-N 2.93Å; Y1152-L1154 PolarHBondContact O-N 3.49Å; Y1152-L1156 HydrophobicContact CD1-CD1 4.02Å; Y1152-L1156 HydrophobicContact CD2-CD1 4.35Å; Y1152-L1156 HydrophobicContact CE1-CD1 3.54Å; Y1152-L1156 HydrophobicContact CE2-CD1 3.92Å; Y1152-L1156 HydrophobicContact CG-CD1 4.4Å; Y1152-L1156 VanDerWaalsContact CZ-CD1 3.5Å; Y1152-L1156 WeakPolarHBondContact O-CB 3.35Å; Y1152-L1156 PolarHBondContact O-N 3.45Å |
| 1153 | H | 58.4 | Low | 55.7 | Low | 126 Ų | 126 | 70.6 Ų | 70.6 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64 | -38.9 | 174.1 | -76 | -71.9 | 0 | 0 | 0 | 112.7 | N1149 L1156 A1157 | N1149-H1153 PolarHBondContact O-CD2 2.83Å; N1149-H1153 VanDerWaalsContact O-CD2 3.28Å; N1149-H1153 PolarHBondContact O-N 3.05Å; H1153-L1156 PolarHBondContact O-N 3.06Å; H1153-A1157 WeakPolarHBondContact O-CB 3.45Å; H1153-A1157 PolarHBondContact O-N 3.35Å |
| 1154 | L | 58.9 | Low | 55.7 | Low | 28 Ų | 28 | 69.5 Ų | 69.5 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65 | -45.8 | 177.4 | -104.7 | 157 | 0 | 0 | 0 | 113.2 | C1151 Y1152 A1157 F1158 M1196 L1224 L1226 | C1151-L1154 WeakPolarHBondContact O-CB 3.36Å; C1151-L1154 PolarHBondContact O-N 2.71Å; Y1152-L1154 PolarHBondContact O-N 3.49Å; L1154-A1157 PolarHBondContact O-N 3.03Å; L1154-F1158 PolarHBondContact O-N 2.86Å; L1154-M1196 HydrophobicContact CD2-SD 4.03Å; L1154-L1224 HydrophobicContact CD1-CB 3.92Å; L1154-L1224 HydrophobicContact CD1-CD1 3.76Å; L1154-L1224 HydrophobicContact CD1-CG 4.47Å; L1154-L1224 HydrophobicContact CD2-CB 3.51Å; L1154-L1224 HydrophobicContact CD2-CD1 4.11Å; L1154-L1224 HydrophobicContact CD2-CG 4.4Å; L1154-L1224 HydrophobicContact CG-CB 4.33Å; L1154-L1226 HydrophobicContact CD2-CD1 4.48Å |
| 1155 | I | 63.9 | Low | 55.5 | Low | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 176.9 | -70.7 | 169.8 | 0 | 0 | 0 | 110.6 | L1142 I1147 C1151 I1159 F1193 M1196 V1197 | L1142-I1155 HydrophobicContact CD1-CG2 4.1Å; L1142-I1155 HydrophobicContact CD2-CG2 4.19Å; I1147-I1155 HydrophobicContact CD1-CD1 3.75Å; I1147-I1155 HydrophobicContact CG2-CD1 4.22Å; C1151-I1155 WeakPolarHBondContact O-CG1 3.38Å; C1151-I1155 PolarHBondContact O-N 3.14Å; I1155-I1159 HydrophobicContact CG2-CD1 3.88Å; I1155-I1159 VanDerWaalsContact O-CG1 3.3Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.44Å; I1155-I1159 PolarHBondContact O-N 2.88Å; I1155-I1159 VanDerWaalsContact O-N 3.09Å; I1155-F1193 HydrophobicContact CG2-CE2 4.14Å; I1155-M1196 HydrophobicContact CG1-CE 4.28Å; I1155-V1197 HydrophobicContact CD1-CG2 4.44Å |
| 1156 | L | 60.5 | Low | 55.1 | Low | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 174.3 | -81.8 | 168.7 | 0 | 0 | 0 | 112.1 | V1139 Y1152 H1153 F1158 I1159 Q1160 | V1139-L1156 HydrophobicContact CG2-CD1 4.44Å; V1139-L1156 HydrophobicContact CG2-CD2 4.46Å; Y1152-L1156 HydrophobicContact CD1-CD1 4.02Å; Y1152-L1156 HydrophobicContact CD2-CD1 4.35Å; Y1152-L1156 HydrophobicContact CE1-CD1 3.54Å; Y1152-L1156 HydrophobicContact CE2-CD1 3.92Å; Y1152-L1156 HydrophobicContact CG-CD1 4.4Å; Y1152-L1156 VanDerWaalsContact CZ-CD1 3.5Å; Y1152-L1156 WeakPolarHBondContact O-CB 3.35Å; Y1152-L1156 PolarHBondContact O-N 3.45Å; H1153-L1156 PolarHBondContact O-N 3.06Å; L1156-F1158 PolarHBondContact O-N 2.97Å; L1156-I1159 PolarHBondContact O-N 3.1Å; L1156-Q1160 VanDerWaalsContact O-CB 3.26Å; L1156-Q1160 WeakPolarHBondContact O-CB 3.3Å; L1156-Q1160 PolarHBondContact O-N 3.2Å |
| 1157 | A | 59.1 | Low | 54.6 | Low | 40 Ų | 40 | 63.2 Ų | 63.2 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1153 L1154 I1159 Q1160 I1161 | H1153-A1157 WeakPolarHBondContact O-CB 3.45Å; H1153-A1157 PolarHBondContact O-N 3.35Å; L1154-A1157 PolarHBondContact O-N 3.03Å; A1157-I1159 PolarHBondContact O-N 2.93Å; A1157-Q1160 PolarHBondContact O-N 3.21Å; A1157-I1161 WeakPolarHBondContact O-CB 3.33Å; A1157-I1161 WeakPolarHBondContact O-CD1 3.42Å; A1157-I1161 VanDerWaalsContact O-CG1 3.24Å; A1157-I1161 WeakPolarHBondContact O-CG1 3.49Å; A1157-I1161 PolarHBondContact O-N 2.91Å |
| 1158 | F | 63 | Low | 53.6 | Low | 3 Ų | 3 | 66.2 Ų | 66.2 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.5 | 179.8 | -90.2 | 0 | 0 | 0 | 112.7 | L1154 L1156 Q1160 T1162 V1189 C1192 F1193 M1196 L1226 F1228 | L1154-F1158 PolarHBondContact O-N 2.86Å; L1156-F1158 PolarHBondContact O-N 2.97Å; F1158-Q1160 VanDerWaalsContact C-N 3.35Å; F1158-T1162 WeakPolarHBondContact O-CB 3.42Å; F1158-T1162 PolarHBondContact O-N 3.02Å; F1158-T1162 PolarHBondContact O-OG1 3.41Å; F1158-V1189 HydrophobicContact CE1-CG1 4.08Å; F1158-V1189 HydrophobicContact CZ-CG1 4.11Å; F1158-V1189 WeakPolarHBondContact CZ-O 3.37Å; F1158-C1192 HydrophobicContact CE2-CB 3.61Å; F1158-C1192 HydrophobicContact CZ-CB 3.7Å; F1158-F1193 HydrophobicContact CD1-CD2 4.07Å; F1158-F1193 HydrophobicContact CE1-CB 3.95Å; F1158-F1193 HydrophobicContact CE1-CD2 4.11Å; F1158-F1193 HydrophobicContact CZ-CB 4.44Å; F1158-M1196 HydrophobicContact CB-CE 3.3Å; F1158-M1196 HydrophobicContact CB-SD 4.3Å; F1158-M1196 HydrophobicContact CD1-CE 4.22Å; F1158-M1196 HydrophobicContact CD2-CE 4.08Å; F1158-M1196 HydrophobicContact CD2-SD 4.46Å; F1158-M1196 HydrophobicContact CG-CE 3.62Å; F1158-L1226 HydrophobicContact CB-CD1 4.04Å; F1158-L1226 HydrophobicContact CD2-CD1 3.96Å; F1158-L1226 HydrophobicContact CD2-CD2 3.96Å; F1158-L1226 HydrophobicContact CE2-CD2 4.44Å; F1158-F1228 HydrophobicContact CD2-CE2 4.48Å; F1158-F1228 HydrophobicContact CE2-CE2 4.17Å; F1158-F1228 HydrophobicContact CE2-CZ 4.1Å |
| 1159 | I | 59.1 | Low | 52.6 | Low | 41 Ų | 41 | 69.4 Ų | 69.4 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.3 | -70.2 | 168.3 | 0 | 0 | 0 | 110.4 | F1138 I1155 L1156 A1157 T1162 L1163 F1193 | F1138-I1159 HydrophobicContact CD1-CD1 4.17Å; F1138-I1159 HydrophobicContact CE1-CD1 3.28Å; F1138-I1159 HydrophobicContact CZ-CD1 3.6Å; I1155-I1159 HydrophobicContact CG2-CD1 3.88Å; I1155-I1159 VanDerWaalsContact O-CG1 3.3Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.44Å; I1155-I1159 PolarHBondContact O-N 2.88Å; I1155-I1159 VanDerWaalsContact O-N 3.09Å; L1156-I1159 PolarHBondContact O-N 3.1Å; A1157-I1159 PolarHBondContact O-N 2.93Å; I1159-T1162 PolarHBondContact O-N 3.01Å; I1159-L1163 HydrophobicContact CG2-CD1 3.81Å; I1159-L1163 HydrophobicContact CG2-CG 4.33Å; I1159-L1163 WeakPolarHBondContact O-CB 3.42Å; I1159-L1163 WeakPolarHBondContact O-CG 3.32Å; I1159-L1163 PolarHBondContact O-N 3.18Å; I1159-F1193 HydrophobicContact CD1-CE2 4.29Å; I1159-F1193 HydrophobicContact CG1-CE2 4.47Å |
| 1160 | Q | 51.8 | Low | 51.6 | Low | 138 Ų | 138 | 71.7 Ų | 71.7 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.7 | -41.5 | -178.9 | -161.5 | 165.3 | -4.1 | 0 | 0 | 111.6 | L1156 A1157 F1158 H1164 | L1156-Q1160 VanDerWaalsContact O-CB 3.26Å; L1156-Q1160 WeakPolarHBondContact O-CB 3.3Å; L1156-Q1160 PolarHBondContact O-N 3.2Å; A1157-Q1160 PolarHBondContact O-N 3.21Å; F1158-Q1160 VanDerWaalsContact C-N 3.35Å; Q1160-H1164 VanDerWaalsContact O-CB 3.29Å; Q1160-H1164 WeakPolarHBondContact O-CB 3.4Å; Q1160-H1164 PolarHBondContact O-N 3.31Å |
| 1161 | I | 54.3 | Low | 50.4 | Low | 68 Ų | 68 | 70.9 Ų | 70.9 | 35% | 0.349 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 171.6 | -69.1 | 163.3 | 0 | 0 | 0 | 111.2 | A1157 H1164 K1165 F1228 | A1157-I1161 WeakPolarHBondContact O-CB 3.33Å; A1157-I1161 WeakPolarHBondContact O-CD1 3.42Å; A1157-I1161 VanDerWaalsContact O-CG1 3.24Å; A1157-I1161 WeakPolarHBondContact O-CG1 3.49Å; A1157-I1161 PolarHBondContact O-N 2.91Å; I1161-H1164 PolarHBondContact O-N 2.89Å; I1161-K1165 PolarHBondContact O-N 2.89Å; I1161-K1165 VanDerWaalsContact O-N 3.09Å; I1161-F1228 HydrophobicContact CG2-CD2 4.33Å |
| 1162 | T | 52.7 | Low | 48.8 | Very low | 17 Ų | 17 | 79 Ų | 79 | 10% | 0.104 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 180 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | F1158 I1159 H1164 K1165 L1166 V1189 | F1158-T1162 WeakPolarHBondContact O-CB 3.42Å; F1158-T1162 PolarHBondContact O-N 3.02Å; F1158-T1162 PolarHBondContact O-OG1 3.41Å; I1159-T1162 PolarHBondContact O-N 3.01Å; T1162-H1164 PolarHBondContact O-N 3.26Å; T1162-K1165 PolarHBondContact O-N 3.16Å; T1162-L1166 HydrophobicContact CG2-CD1 4.25Å; T1162-L1166 WeakPolarHBondContact O-CG 3.36Å; T1162-L1166 PolarHBondContact O-N 3.17Å; T1162-V1189 HydrophobicContact CG2-CG1 3.84Å; T1162-V1189 HydrophobicContact CG2-CG2 4.25Å |
| 1163 | L | 51.2 | Low | 47.3 | Very low | 104 Ų | 104 | 85.2 Ų | 85.2 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 175.8 | -71.2 | 171.6 | 0 | 0 | 0 | 111.9 | I1159 K1165 L1166 S1167 | I1159-L1163 HydrophobicContact CG2-CD1 3.81Å; I1159-L1163 HydrophobicContact CG2-CG 4.33Å; I1159-L1163 WeakPolarHBondContact O-CB 3.42Å; I1159-L1163 WeakPolarHBondContact O-CG 3.32Å; I1159-L1163 PolarHBondContact O-N 3.18Å; L1163-K1165 VanDerWaalsContact C-N 3.29Å; L1163-K1165 PolarHBondContact O-N 2.77Å; L1163-L1166 PolarHBondContact O-N 3.02Å; L1163-L1166 VanDerWaalsContact O-N 3.1Å; L1163-S1167 PolarHBondContact O-N 3.35Å |
| 1164 | H | 51 | Low | 45.8 | Very low | 125 Ų | 125 | 90.5 Ų | 90.5 | 58% | 0.579 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.4 | -25.1 | -179.7 | -152.3 | -46 | 0 | 0 | 0 | 113 | Q1160 I1161 T1162 | Q1160-H1164 VanDerWaalsContact O-CB 3.29Å; Q1160-H1164 WeakPolarHBondContact O-CB 3.4Å; Q1160-H1164 PolarHBondContact O-N 3.31Å; I1161-H1164 PolarHBondContact O-N 2.89Å; T1162-H1164 PolarHBondContact O-N 3.26Å |
| 1165 | K | 49.6 | Very low | 44.3 | Very low | 75 Ų | 75 | 95.1 Ų | 95.1 | 33% | 0.326 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -81.4 | -15.3 | 170.2 | -72.6 | -165.7 | 178.1 | -170.4 | 0 | 114.3 | I1161 T1162 L1163 L1230 | I1161-K1165 PolarHBondContact O-N 2.89Å; I1161-K1165 VanDerWaalsContact O-N 3.09Å; T1162-K1165 PolarHBondContact O-N 3.16Å; L1163-K1165 VanDerWaalsContact C-N 3.29Å; L1163-K1165 PolarHBondContact O-N 2.77Å; K1165-L1230 HydrophobicContact CD-CD1 4.17Å |
| 1166 | L | 44.8 | Very low | 42.4 | Very low | 74 Ų | 74 | 102.7 Ų | 102.7 | 39% | 0.387 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -92.3 | -11.2 | 176.8 | -70.6 | 168.4 | 0 | 0 | 0 | 113.4 | T1162 L1163 V1181 | T1162-L1166 HydrophobicContact CG2-CD1 4.25Å; T1162-L1166 WeakPolarHBondContact O-CG 3.36Å; T1162-L1166 PolarHBondContact O-N 3.17Å; L1163-L1166 PolarHBondContact O-N 3.02Å; L1163-L1166 VanDerWaalsContact O-N 3.1Å; L1166-V1181 HydrophobicContact CD2-CG2 3.91Å |
| 1167 | S | 33.9 | Very low | 40.8 | Very low | 63 Ų | 63 | 110.9 Ų | 110.9 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -97.8 | 119 | 179.2 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | L1163 M1169 | L1163-S1167 PolarHBondContact O-N 3.35Å; S1167-M1169 PolarHBondContact O-N 2.98Å |
| 1168 | P | 33 | Very low | 39.2 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | trans | -75.1 | 92.2 | 176.9 | 30.4 | -33.9 | 0 | 0 | 0 | 111.4 | D1170 I1179 | P1168-D1170 VanDerWaalsContact C-N 3.26Å; P1168-D1170 PolarHBondContact O-N 3.38Å; P1168-I1179 HydrophobicContact CG-CD1 4.48Å | ||
| 1169 | M | 34.6 | Very low | 37.5 | Very low | 141 Ų | 141 | 120.2 Ų | 120.2 | 70% | 0.695 | 61% | 0.612 | S | S | * | * | trans | -76.3 | 76.3 | 167.7 | -74.4 | -67.2 | -171 | 0 | 0 | 110.8 | S1167 | S1167-M1169 PolarHBondContact O-N 2.98Š| ||
| 1170 | D | 31.6 | Very low | 36 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 87% | 0.866 | 64% | 0.641 | S | S | * | * | trans | 176.8 | 93.4 | 137.2 | -94.6 | -16.3 | 0 | 0 | 0 | 110.5 | P1168 | P1168-D1170 VanDerWaalsContact C-N 3.26Å; P1168-D1170 PolarHBondContact O-N 3.38Å | ||
| 1171 | S | 28.8 | Very low | 34.9 | Very low | 88 Ų | 88 | 122 Ų | 122 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | trans | -97.1 | 142.7 | 156.9 | 71.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1172 | F | 26.8 | Very low | 34 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 79% | 0.789 | 63% | 0.63 | S | S | * | * | S | Bend | -129.8 | 157.9 | 65.1 | -75.5 | -94.8 | 0 | 0 | 0 | 113.9 | |||
| 1173 | H | 26.6 | Very low | 33.3 | Very low | 177 Ų | 177 | 127 Ų | 127 | 82% | 0.819 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 66.1 | 74.3 | -179.1 | -57.5 | -81 | 0 | 0 | 0 | 116.9 | ||
| 1174 | Y | 27.8 | Very low | 32.8 | Very low | 238 Ų | 238 | 129.5 Ų | 129.5 | 93% | 0.933 | 67% | 0.667 | S | S | * | * | -153.2 | 135.5 | 125.9 | -101.2 | -69.6 | 0 | 0 | 0 | 110.4 | |||||
| 1175 | T | 25.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | trans | -92.2 | 149.9 | 173.6 | 40.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1176 | N | 25.2 | Very low | 32.1 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 86% | 0.861 | 67% | 0.665 | S | S | * | * | trans | 52.4 | 78.6 | 168.4 | -63 | -1.9 | 0 | 0 | 0 | 117.1 | ||||
| 1177 | K | 25.7 | Very low | 32.2 | Very low | 205 Ų | 205 | 132 Ų | 132 | 89% | 0.891 | 67% | 0.67 | S | S | * | * | trans | -132.2 | 129.6 | 147.8 | -85.9 | -171.1 | 175.5 | 177.5 | 0 | 111.4 | ||||
| 1178 | T | 26.2 | Very low | 33 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -72.2 | 135.6 | 174.4 | -22.5 | 0 | 0 | 0 | 0 | 110.1 | N1180 | T1178-N1180 PolarHBondContact O-N 3.28Š| ||
| 1179 | I | 26.6 | Very low | 33.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | trans | -82 | 99.9 | 172.8 | -58.2 | 171.5 | 0 | 0 | 0 | 108.8 | P1168 V1181 | P1168-I1179 HydrophobicContact CG-CD1 4.48Å; I1179-V1181 HydrophobicContact CG2-CG2 4.02Å; I1179-V1181 PolarHBondContact O-N 3.3Å; I1179-V1181 VanDerWaalsContact O-N 3.1Å | ||
| 1180 | N | 27.2 | Very low | 34.9 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 63% | 0.627 | S | S | * | * | trans | -75.8 | 91.3 | 168.9 | -78.7 | -1.9 | 0 | 0 | 0 | 109.5 | T1178 | T1178-N1180 PolarHBondContact O-N 3.28Š| ||
| 1181 | V | 30.5 | Very low | 36.2 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 40% | 0.4 | 61% | 0.609 | S | S | . | * | trans | -67.9 | 130.4 | 164.8 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | L1166 I1179 Y1185 | L1166-V1181 HydrophobicContact CD2-CG2 3.91Å; I1179-V1181 HydrophobicContact CG2-CG2 4.02Å; I1179-V1181 PolarHBondContact O-N 3.3Å; I1179-V1181 VanDerWaalsContact O-N 3.1Å; V1181-Y1185 HydrophobicContact CG1-CD1 3.68Å; V1181-Y1185 HydrophobicContact CG1-CG 4.36Å | ||
| 1182 | S | 34 | Very low | 37.5 | Very low | 54 Ų | 54 | 118.5 Ų | 118.5 | 38% | 0.378 | 59% | 0.587 | S | S | . | * | trans | -71 | 146.3 | 176.8 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | E1184 Y1185 Y1186 | S1182-E1184 PolarHBondContact O-N 3.41Å; S1182-Y1185 PolarHBondContact O-N 3.43Å; S1182-Y1185 VanDerWaalsContact O-N 3.07Å; S1182-Y1185 WeakPolarHBondContact OG-CB 3.42Å; S1182-Y1185 PolarHBondContact OG-N 2.66Å; S1182-Y1185 VanDerWaalsContact OG-N 3.13Å; S1182-Y1186 PolarHBondContact O-N 2.72Å; S1182-Y1186 VanDerWaalsContact O-N 3.13Å | ||
| 1183 | I | 38.4 | Very low | 39.2 | Very low | 135 Ų | 135 | 113.2 Ų | 113.2 | 69% | 0.692 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.5 | -35.3 | 173.5 | -74.3 | 172 | 0 | 0 | 0 | 110.5 | Y1186 H1187 | I1183-Y1186 PolarHBondContact O-N 2.83Å; I1183-H1187 PolarHBondContact O-CD2 2.85Å; I1183-H1187 VanDerWaalsContact O-CD2 3.27Å; I1183-H1187 PolarHBondContact O-N 3.12Å |
| 1184 | E | 40.1 | Very low | 41.1 | Very low | 156 Ų | 156 | 109.4 Ų | 109.4 | 73% | 0.729 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 174.4 | -59.2 | 169.3 | 134.9 | 0 | 0 | 112.4 | S1182 Y1186 H1187 L1188 | S1182-E1184 PolarHBondContact O-N 3.41Å; E1184-Y1186 PolarHBondContact O-N 3.1Å; E1184-H1187 PolarHBondContact O-N 2.03Å; E1184-L1188 WeakPolarHBondContact O-CB 3.3Å; E1184-L1188 PolarHBondContact O-N 3.31Å |
| 1185 | Y | 43.4 | Very low | 42.6 | Very low | 57 Ų | 57 | 104.2 Ų | 104.2 | 22% | 0.224 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.3 | -174 | -99.6 | 0 | 0 | 0 | 111.5 | V1181 S1182 L1188 V1189 | V1181-Y1185 HydrophobicContact CG1-CD1 3.68Å; V1181-Y1185 HydrophobicContact CG1-CG 4.36Å; S1182-Y1185 PolarHBondContact O-N 3.43Å; S1182-Y1185 VanDerWaalsContact O-N 3.07Å; S1182-Y1185 WeakPolarHBondContact OG-CB 3.42Å; S1182-Y1185 PolarHBondContact OG-N 2.66Å; S1182-Y1185 VanDerWaalsContact OG-N 3.13Å; Y1185-L1188 PolarHBondContact O-N 3.47Å; Y1185-V1189 HydrophobicContact CD1-CG2 4.11Å; Y1185-V1189 HydrophobicContact CE1-CG2 3.7Å; Y1185-V1189 HydrophobicContact CE2-CG2 4.27Å; Y1185-V1189 WeakPolarHBondContact O-CG2 3.44Å; Y1185-V1189 PolarHBondContact O-N 3.44Å |
| 1186 | Y | 43.3 | Very low | 44.2 | Very low | 162 Ų | 162 | 98.7 Ų | 98.7 | 64% | 0.635 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 176.4 | -165.7 | -88.8 | 0 | 0 | 0 | 112.1 | S1182 I1183 E1184 T1190 | S1182-Y1186 PolarHBondContact O-N 2.72Å; S1182-Y1186 VanDerWaalsContact O-N 3.13Å; I1183-Y1186 PolarHBondContact O-N 2.83Å; E1184-Y1186 PolarHBondContact O-N 3.1Å; Y1186-T1190 VanDerWaalsContact O-CB 3.31Å; Y1186-T1190 WeakPolarHBondContact O-CB 3.36Å; Y1186-T1190 PolarHBondContact O-N 3.25Å; Y1186-T1190 PolarHBondContact O-OG1 3.36Å |
| 1187 | H | 47.8 | Very low | 46 | Very low | 108 Ų | 108 | 93.3 Ų | 93.3 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 173.1 | -83.4 | -66.5 | 0 | 0 | 0 | 112.6 | I1183 E1184 T1190 N1191 | I1183-H1187 PolarHBondContact O-CD2 2.85Å; I1183-H1187 VanDerWaalsContact O-CD2 3.27Å; I1183-H1187 PolarHBondContact O-N 3.12Å; E1184-H1187 PolarHBondContact O-N 2.03Å; H1187-T1190 PolarHBondContact O-N 2.94Å; H1187-N1191 VanDerWaalsContact O-CB 3.29Å; H1187-N1191 WeakPolarHBondContact O-CB 3.3Å; H1187-N1191 PolarHBondContact O-N 3.16Å; H1187-N1191 PolarHBondContact O-ND2 2.89Å |
| 1188 | L | 50.8 | Low | 47.8 | Very low | 90 Ų | 90 | 89.6 Ų | 89.6 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.9 | -51.1 | 177.5 | -174.9 | 69.4 | 0 | 0 | 0 | 111.3 | E1184 Y1185 T1190 N1191 C1192 | E1184-L1188 WeakPolarHBondContact O-CB 3.3Å; E1184-L1188 PolarHBondContact O-N 3.31Å; Y1185-L1188 PolarHBondContact O-N 3.47Å; L1188-T1190 VanDerWaalsContact C-N 3.34Å; L1188-T1190 PolarHBondContact O-N 3.19Å; L1188-N1191 PolarHBondContact O-N 3.46Å; L1188-C1192 WeakPolarHBondContact O-CB 3.39Å; L1188-C1192 PolarHBondContact O-N 3.08Å; L1188-C1192 PolarHBondContact O-SG 2.89Å |
| 1189 | V | 50.9 | Low | 49.3 | Very low | 23 Ų | 23 | 87.7 Ų | 87.7 | 14% | 0.139 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | F1158 T1162 Y1185 C1192 F1193 | F1158-V1189 HydrophobicContact CE1-CG1 4.08Å; F1158-V1189 HydrophobicContact CZ-CG1 4.11Å; F1158-V1189 WeakPolarHBondContact CZ-O 3.37Å; T1162-V1189 HydrophobicContact CG2-CG1 3.84Å; T1162-V1189 HydrophobicContact CG2-CG2 4.25Å; Y1185-V1189 HydrophobicContact CD1-CG2 4.11Å; Y1185-V1189 HydrophobicContact CE1-CG2 3.7Å; Y1185-V1189 HydrophobicContact CE2-CG2 4.27Å; Y1185-V1189 WeakPolarHBondContact O-CG2 3.44Å; Y1185-V1189 PolarHBondContact O-N 3.44Å; V1189-C1192 PolarHBondContact O-N 3.19Å; V1189-F1193 WeakPolarHBondContact O-CB 3.01Å; V1189-F1193 PolarHBondContact O-N 3.24Å |
| 1190 | T | 56.9 | Low | 50.8 | Low | 49 Ų | 49 | 83 Ų | 83 | 30% | 0.301 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 179.5 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | Y1186 H1187 L1188 F1193 I1194 | Y1186-T1190 VanDerWaalsContact O-CB 3.31Å; Y1186-T1190 WeakPolarHBondContact O-CB 3.36Å; Y1186-T1190 PolarHBondContact O-N 3.25Å; Y1186-T1190 PolarHBondContact O-OG1 3.36Å; H1187-T1190 PolarHBondContact O-N 2.94Å; L1188-T1190 VanDerWaalsContact C-N 3.34Å; L1188-T1190 PolarHBondContact O-N 3.19Å; T1190-F1193 PolarHBondContact O-N 2.96Å; T1190-I1194 HydrophobicContact CG2-CD1 3.93Å; T1190-I1194 VanDerWaalsContact O-CG1 3.31Å; T1190-I1194 WeakPolarHBondContact O-CG1 3.01Å; T1190-I1194 PolarHBondContact O-N 2.97Å |
| 1191 | N | 58.6 | Low | 52.3 | Low | 89 Ų | 89 | 80.5 Ų | 80.5 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.7 | -74.2 | -20.5 | 0 | 0 | 0 | 112 | H1187 L1188 I1194 Q1195 | H1187-N1191 VanDerWaalsContact O-CB 3.29Å; H1187-N1191 WeakPolarHBondContact O-CB 3.3Å; H1187-N1191 PolarHBondContact O-N 3.16Å; H1187-N1191 PolarHBondContact O-ND2 2.89Å; L1188-N1191 PolarHBondContact O-N 3.46Å; N1191-I1194 PolarHBondContact O-N 3.25Å; N1191-Q1195 WeakPolarHBondContact O-CB 3.13Å; N1191-Q1195 WeakPolarHBondContact O-CG 3.41Å; N1191-Q1195 PolarHBondContact O-N 2.95Å |
| 1192 | C | 55.6 | Low | 53.5 | Low | 23 Ų | 23 | 84.5 Ų | 84.5 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174.2 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | F1158 L1188 V1189 Q1195 M1196 | F1158-C1192 HydrophobicContact CE2-CB 3.61Å; F1158-C1192 HydrophobicContact CZ-CB 3.7Å; L1188-C1192 WeakPolarHBondContact O-CB 3.39Å; L1188-C1192 PolarHBondContact O-N 3.08Å; L1188-C1192 PolarHBondContact O-SG 2.89Å; V1189-C1192 PolarHBondContact O-N 3.19Å; C1192-Q1195 PolarHBondContact O-N 3.01Å; C1192-M1196 WeakPolarHBondContact O-CG 3.29Å; C1192-M1196 PolarHBondContact O-N 3.44Å |
| 1193 | F | 63.2 | Low | 54.1 | Low | 69 Ų | 69 | 84.8 Ų | 84.8 | 30% | 0.303 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 176.2 | -173.2 | -97.1 | 0 | 0 | 0 | 111.8 | I1155 F1158 I1159 V1189 T1190 Q1195 M1196 V1197 | I1155-F1193 HydrophobicContact CG2-CE2 4.14Å; F1158-F1193 HydrophobicContact CD1-CD2 4.07Å; F1158-F1193 HydrophobicContact CE1-CB 3.95Å; F1158-F1193 HydrophobicContact CE1-CD2 4.11Å; F1158-F1193 HydrophobicContact CZ-CB 4.44Å; I1159-F1193 HydrophobicContact CD1-CE2 4.29Å; I1159-F1193 HydrophobicContact CG1-CE2 4.47Å; V1189-F1193 WeakPolarHBondContact O-CB 3.01Å; V1189-F1193 PolarHBondContact O-N 3.24Å; T1190-F1193 PolarHBondContact O-N 2.96Å; F1193-Q1195 VanDerWaalsContact C-N 3.35Å; F1193-Q1195 PolarHBondContact O-N 2.74Å; F1193-M1196 PolarHBondContact O-N 2.79Å; F1193-V1197 HydrophobicContact CD1-CG2 4.2Å; F1193-V1197 HydrophobicContact CE1-CG2 3.84Å; F1193-V1197 HydrophobicContact CZ-CG2 4.04Å; F1193-V1197 WeakPolarHBondContact O-CG2 3.42Å; F1193-V1197 PolarHBondContact O-N 2.97Å |
| 1194 | I | 64.6 | Low | 54.4 | Low | 97 Ų | 97 | 83.1 Ų | 83.1 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.8 | -69.6 | 168.5 | 0 | 0 | 0 | 110.8 | T1190 N1191 V1197 H1198 | T1190-I1194 HydrophobicContact CG2-CD1 3.93Å; T1190-I1194 VanDerWaalsContact O-CG1 3.31Å; T1190-I1194 WeakPolarHBondContact O-CG1 3.01Å; T1190-I1194 PolarHBondContact O-N 2.97Å; N1191-I1194 PolarHBondContact O-N 3.25Å; I1194-V1197 PolarHBondContact O-N 2.82Å; I1194-H1198 VanDerWaalsContact O-CB 3.29Å; I1194-H1198 WeakPolarHBondContact O-CB 3.32Å; I1194-H1198 PolarHBondContact O-N 3.28Å |
| 1195 | Q | 61 | Low | 54.5 | Low | 130 Ų | 130 | 84.1 Ų | 84.1 | 61% | 0.607 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 177.3 | -76.7 | -174.9 | -2.2 | 0 | 0 | 112.6 | N1191 C1192 F1193 H1198 L1199 | N1191-Q1195 WeakPolarHBondContact O-CB 3.13Å; N1191-Q1195 WeakPolarHBondContact O-CG 3.41Å; N1191-Q1195 PolarHBondContact O-N 2.95Å; C1192-Q1195 PolarHBondContact O-N 3.01Å; F1193-Q1195 VanDerWaalsContact C-N 3.35Å; F1193-Q1195 PolarHBondContact O-N 2.74Å; Q1195-H1198 PolarHBondContact O-N 3.15Å; Q1195-L1199 WeakPolarHBondContact O-CB 3.45Å; Q1195-L1199 WeakPolarHBondContact O-CG 3.15Å; Q1195-L1199 PolarHBondContact O-N 2.77Å |
| 1196 | M | 59.2 | Low | 54.2 | Low | 7 Ų | 7 | 89 Ų | 89 | 3% | 0.034 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 175 | -72 | -147 | -47.6 | 0 | 0 | 112 | L1154 I1155 F1158 C1192 F1193 H1198 L1199 C1200 L1226 | L1154-M1196 HydrophobicContact CD2-SD 4.03Å; I1155-M1196 HydrophobicContact CG1-CE 4.28Å; F1158-M1196 HydrophobicContact CB-CE 3.3Å; F1158-M1196 HydrophobicContact CB-SD 4.3Å; F1158-M1196 HydrophobicContact CD1-CE 4.22Å; F1158-M1196 HydrophobicContact CD2-CE 4.08Å; F1158-M1196 HydrophobicContact CD2-SD 4.46Å; F1158-M1196 HydrophobicContact CG-CE 3.62Å; C1192-M1196 WeakPolarHBondContact O-CG 3.29Å; C1192-M1196 PolarHBondContact O-N 3.44Å; F1193-M1196 PolarHBondContact O-N 2.79Å; M1196-H1198 PolarHBondContact O-N 3.43Å; M1196-L1199 PolarHBondContact O-N 3.22Å; M1196-C1200 WeakPolarHBondContact O-CB 3.48Å; M1196-C1200 PolarHBondContact O-N 3.34Å; M1196-C1200 PolarHBondContact O-SG 2.92Å; M1196-L1226 HydrophobicContact SD-CD1 4.21Å; M1196-L1226 HydrophobicContact SD-CD2 4.34Å |
| 1197 | V | 62.5 | Low | 53.5 | Low | 48 Ų | 48 | 87.9 Ų | 87.9 | 29% | 0.291 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 176.5 | 172 | 0 | 0 | 0 | 0 | 110.6 | I1155 F1193 I1194 N1201 | I1155-V1197 HydrophobicContact CD1-CG2 4.44Å; F1193-V1197 HydrophobicContact CD1-CG2 4.2Å; F1193-V1197 HydrophobicContact CE1-CG2 3.84Å; F1193-V1197 HydrophobicContact CZ-CG2 4.04Å; F1193-V1197 WeakPolarHBondContact O-CG2 3.42Å; F1193-V1197 PolarHBondContact O-N 2.97Å; I1194-V1197 PolarHBondContact O-N 2.82Å; V1197-N1201 WeakPolarHBondContact O-CB 3.5Å; V1197-N1201 PolarHBondContact O-N 3.22Å |
| 1198 | H | 62.8 | Low | 52.8 | Low | 127 Ų | 127 | 89.1 Ų | 89.1 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71.1 | -37.6 | 178 | -158 | -17.9 | 0 | 0 | 0 | 113.1 | I1194 Q1195 M1196 N1201 K1202 | I1194-H1198 VanDerWaalsContact O-CB 3.29Å; I1194-H1198 WeakPolarHBondContact O-CB 3.32Å; I1194-H1198 PolarHBondContact O-N 3.28Å; Q1195-H1198 PolarHBondContact O-N 3.15Å; M1196-H1198 PolarHBondContact O-N 3.43Å; H1198-N1201 PolarHBondContact O-N 3.34Å; H1198-K1202 WeakPolarHBondContact O-CB 3.48Å; H1198-K1202 PolarHBondContact O-N 3.33Å |
| 1199 | L | 58.2 | Low | 51.8 | Low | 91 Ų | 91 | 95 Ų | 95 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 172.2 | -78.9 | 165.2 | 0 | 0 | 0 | 111.1 | Q1195 M1196 N1201 K1202 S1203 L1224 | Q1195-L1199 WeakPolarHBondContact O-CB 3.45Å; Q1195-L1199 WeakPolarHBondContact O-CG 3.15Å; Q1195-L1199 PolarHBondContact O-N 2.77Å; M1196-L1199 PolarHBondContact O-N 3.22Å; L1199-N1201 VanDerWaalsContact C-N 3.32Å; L1199-N1201 PolarHBondContact O-N 3.09Å; L1199-K1202 WeakPolarHBondContact O-CA 3.16Å; L1199-K1202 WeakPolarHBondContact O-CB 3.3Å; L1199-K1202 PolarHBondContact O-N 3.32Å; L1199-S1203 PolarHBondContact O-N 3.34Å; L1199-L1224 HydrophobicContact CD1-CD2 4.47Å |
| 1200 | C | 57.9 | Low | 50.9 | Low | 11 Ų | 11 | 103.4 Ų | 103.4 | 7% | 0.074 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 174.1 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | C1151 M1196 K1202 S1203 | C1151-C1200 HydrophobicContact CB-CB 3.83Å; C1151-C1200 WeakPolarHBondContact CB-SG 3.34Å; C1151-C1200 WeakPolarHBondContact SG-CA 3.26Å; C1151-C1200 WeakPolarHBondContact SG-CB 3.46Å; C1151-C1200 CovalentContact SG-SG 2.03Å; C1151-C1200 PolarHBondContact SG-SG 3Å; M1196-C1200 WeakPolarHBondContact O-CB 3.48Å; M1196-C1200 PolarHBondContact O-N 3.34Å; M1196-C1200 PolarHBondContact O-SG 2.92Å; C1200-K1202 VanDerWaalsContact C-N 3.3Å; C1200-K1202 PolarHBondContact O-N 3.3Å; C1200-S1203 PolarHBondContact O-N 2.97Å |
| 1201 | N | 58.3 | Low | 49.7 | Very low | 99 Ų | 99 | 108.3 Ų | 108.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68 | -26.3 | 174.1 | -117.3 | -32 | 0 | 0 | 0 | 113.4 | V1197 H1198 L1199 | V1197-N1201 WeakPolarHBondContact O-CB 3.5Å; V1197-N1201 PolarHBondContact O-N 3.22Å; H1198-N1201 PolarHBondContact O-N 3.34Å; L1199-N1201 VanDerWaalsContact C-N 3.32Å; L1199-N1201 PolarHBondContact O-N 3.09Å |
| 1202 | K | 55.5 | Low | 48.9 | Very low | 149 Ų | 149 | 109.7 Ų | 109.7 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.6 | -35.8 | 176.9 | -140.7 | 178.5 | -174 | -174.7 | 0 | 111.7 | H1198 L1199 C1200 I1204 K1205 | H1198-K1202 WeakPolarHBondContact O-CB 3.48Å; H1198-K1202 PolarHBondContact O-N 3.33Å; L1199-K1202 WeakPolarHBondContact O-CA 3.16Å; L1199-K1202 WeakPolarHBondContact O-CB 3.3Å; L1199-K1202 PolarHBondContact O-N 3.32Å; C1200-K1202 VanDerWaalsContact C-N 3.3Å; C1200-K1202 PolarHBondContact O-N 3.3Å; K1202-I1204 PolarHBondContact O-N 3.15Å; K1202-I1204 VanDerWaalsContact O-N 3.15Å; K1202-K1205 PolarHBondContact O-N 3.39Å; K1202-K1205 VanDerWaalsContact O-N 3.16Å |
| 1203 | S | 47.5 | Very low | 48.3 | Very low | 61 Ų | 61 | 116.7 Ų | 116.7 | 43% | 0.427 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -18.7 | 174.2 | -168.7 | 0 | 0 | 0 | 0 | 113.9 | L1199 C1200 K1205 | L1199-S1203 PolarHBondContact O-N 3.34Å; C1200-S1203 PolarHBondContact O-N 2.97Å; S1203-K1205 VanDerWaalsContact C-N 3.32Å |
| 1204 | I | 44.1 | Very low | 47.4 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -7.9 | -179.3 | -64.1 | 170.2 | 0 | 0 | 0 | 112 | K1202 | K1202-I1204 PolarHBondContact O-N 3.15Å; K1202-I1204 VanDerWaalsContact O-N 3.15Å |
| 1205 | K | 42.5 | Very low | 46.2 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 77% | 0.774 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -114.2 | 0.8 | -170.8 | -73.2 | -166.3 | 173.6 | -174.3 | 0 | 117.3 | K1202 S1203 | K1202-K1205 PolarHBondContact O-N 3.39Å; K1202-K1205 VanDerWaalsContact O-N 3.16Å; S1203-K1205 VanDerWaalsContact C-N 3.32Å |
| 1206 | H | 37.9 | Very low | 44.8 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 74% | 0.736 | 59% | 0.594 | S | S | * | * | trans | -123.4 | 87 | 172.2 | -85.9 | -77.4 | 0 | 0 | 0 | 111.2 | ||||
| 1207 | N | 28.8 | Very low | 43.5 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | trans | -97.5 | 91.6 | 164 | -81.1 | -14 | 0 | 0 | 0 | 108.8 | ||||
| 1208 | D | 31.5 | Very low | 41.8 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | trans | -134.3 | 125 | 164.8 | -84 | -57.7 | 0 | 0 | 0 | 108.8 | ||||
| 1209 | Y | 29.8 | Very low | 40.2 | Very low | 212 Ų | 212 | 132.9 Ų | 132.9 | 83% | 0.831 | 65% | 0.653 | S | S | * | * | trans | -87.4 | 115.2 | -173 | -73.7 | -99.6 | 0 | 0 | 0 | 111.1 | ||||
| 1210 | Y | 32.4 | Very low | 38.7 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 79% | 0.788 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 120.2 | 166 | -87.2 | -90 | 0 | 0 | 0 | 111 | ||
| 1211 | Y | 32 | Very low | 37.3 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 60% | 0.596 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 140.4 | 168.5 | -86.5 | -102.7 | 0 | 0 | 0 | 110 | N1215 | Y1211-N1215 WeakPolarHBondContact CD1-OD1 3.28Å; Y1211-N1215 VanDerWaalsContact CE1-OD1 3.26Å; Y1211-N1215 WeakPolarHBondContact CE1-OD1 3.47Å |
| 1212 | N | 41.8 | Very low | 35.7 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 158.4 | 162.7 | -78.1 | -1.9 | 0 | 0 | 0 | 110.3 | N1214 N1215 | N1212-N1214 PolarHBondContact O-N 2.82Å; N1212-N1215 PolarHBondContact O-N 2.9Å |
| 1213 | D | 42.2 | Very low | 34.3 | Very low | 171 Ų | 171 | 137 Ų | 137 | 91% | 0.914 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -23.6 | -173.7 | -60.3 | -57.6 | 0 | 0 | 0 | 115.2 | N1215 | D1213-N1215 VanDerWaalsContact C-N 3.26Å; D1213-N1215 PolarHBondContact O-N 2.62Å |
| 1214 | N | 45 | Very low | 33.3 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 12.9 | 176.2 | -69.7 | -29.1 | 0 | 0 | 0 | 114.3 | N1212 Q1216 | N1212-N1214 PolarHBondContact O-N 2.82Å; N1214-Q1216 PolarHBondContact O-N 3.11Å; N1214-Q1216 VanDerWaalsContact O-N 3.08Å |
| 1215 | N | 39.3 | Very low | 32.4 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | trans | 59.6 | 21.9 | 169.9 | -148.2 | 9.1 | 0 | 0 | 0 | 115.7 | Y1211 N1212 D1213 | Y1211-N1215 WeakPolarHBondContact CD1-OD1 3.28Å; Y1211-N1215 VanDerWaalsContact CE1-OD1 3.26Å; Y1211-N1215 WeakPolarHBondContact CE1-OD1 3.47Å; N1212-N1215 PolarHBondContact O-N 2.9Å; D1213-N1215 VanDerWaalsContact C-N 3.26Å; D1213-N1215 PolarHBondContact O-N 2.62Å | ||
| 1216 | Q | 31.6 | Very low | 31.6 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 141 | 174.5 | -71.4 | -167.4 | -8.4 | 0 | 0 | 111.8 | N1214 | N1214-Q1216 PolarHBondContact O-N 3.11Å; N1214-Q1216 VanDerWaalsContact O-N 3.08Å |
| 1217 | P | 31.5 | Very low | 31 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126.4 | 175.3 | 30.9 | -33.4 | 0 | 0 | 0 | 111.1 | ||
| 1218 | S | 28.4 | Very low | 30.8 | Very low | 81 Ų | 81 | 122 Ų | 122 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 137.5 | 172.6 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1219 | K | 29 | Very low | 30.5 | Very low | 198 Ų | 198 | 124.9 Ų | 124.9 | 86% | 0.861 | 64% | 0.638 | S | S | * | * | trans | -88.9 | 111.4 | 167.3 | -79.6 | -173.6 | 175.1 | -178.4 | 0 | 109.2 | V1221 | K1219-V1221 PolarHBondContact O-N 2.9Å; K1219-V1221 VanDerWaalsContact O-N 3.1Å | ||
| 1220 | T | 26.8 | Very low | 30.3 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 77% | 0.767 | 63% | 0.63 | S | S | * | * | trans | -67.6 | 103.5 | 170.4 | -51.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1221 | V | 27.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 119 Ų | 119 | 70% | 0.697 | 63% | 0.632 | S | S | * | * | trans | -89.5 | 116.5 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | K1219 T1223 | K1219-V1221 PolarHBondContact O-N 2.9Å; K1219-V1221 VanDerWaalsContact O-N 3.1Å; V1221-T1223 PolarHBondContact O-N 3.32Å | ||
| 1222 | I | 25.9 | Very low | 29.5 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 42% | 0.421 | 63% | 0.633 | S | S | . | * | trans | -87.8 | 88.5 | 177 | -56.5 | 178.7 | 0 | 0 | 0 | 109.1 | L1224 | I1222-L1224 HydrophobicContact CG2-CD1 4.3Å; I1222-L1224 PolarHBondContact O-N 3.42Å | ||
| 1223 | T | 25.8 | Very low | 28.6 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | -80.7 | 92.9 | 175.5 | -52 | 0 | 0 | 0 | 0 | 110.6 | V1221 Q1225 | V1221-T1223 PolarHBondContact O-N 3.32Å; T1223-Q1225 PolarHBondContact O-N 2.63Å | ||
| 1224 | L | 25.3 | Very low | 27.8 | Very low | 63 Ų | 63 | 112.1 Ų | 112.1 | 33% | 0.33 | 63% | 0.627 | S | S | . | * | trans | -90.5 | 99.4 | 173.2 | -107.2 | 157.1 | 0 | 0 | 0 | 110.4 | L1154 L1199 I1222 L1226 | L1154-L1224 HydrophobicContact CD1-CB 3.92Å; L1154-L1224 HydrophobicContact CD1-CD1 3.76Å; L1154-L1224 HydrophobicContact CD1-CG 4.47Å; L1154-L1224 HydrophobicContact CD2-CB 3.51Å; L1154-L1224 HydrophobicContact CD2-CD1 4.11Å; L1154-L1224 HydrophobicContact CD2-CG 4.4Å; L1154-L1224 HydrophobicContact CG-CB 4.33Å; L1199-L1224 HydrophobicContact CD1-CD2 4.47Å; I1222-L1224 HydrophobicContact CG2-CD1 4.3Å; I1222-L1224 PolarHBondContact O-N 3.42Å; L1224-L1226 PolarHBondContact O-N 3.35Å | ||
| 1225 | Q | 26.3 | Very low | 26.9 | Very low | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | trans | -83.1 | 92.5 | -178.4 | -166.8 | 155.4 | 7.3 | 0 | 0 | 110.8 | N1031 T1223 G1227 | N1031-Q1225 VanDerWaalsContact ND2-CD 3.3Å; N1031-Q1225 PolarHBondContact ND2-NE2 3.26Å; N1031-Q1225 PolarHBondContact ND2-OE1 3.13Å; N1031-Q1225 PolarHBondContact OD1-NE2 3.4Å; N1031-Q1225 PolarHBondContact OD1-OE1 3.13Å; T1223-Q1225 PolarHBondContact O-N 2.63Å; Q1225-G1227 PolarHBondContact O-N 3.06Å | ||
| 1226 | L | 25.5 | Very low | 26.4 | Very low | 47 Ų | 47 | 105.7 Ų | 105.7 | 25% | 0.246 | 60% | 0.601 | C | S | . | * | trans | -73.5 | 71.9 | 177.9 | -76.6 | 168.9 | 0 | 0 | 0 | 112 | L1154 F1158 M1196 L1224 F1228 | L1154-L1226 HydrophobicContact CD2-CD1 4.48Å; F1158-L1226 HydrophobicContact CB-CD1 4.04Å; F1158-L1226 HydrophobicContact CD2-CD1 3.96Å; F1158-L1226 HydrophobicContact CD2-CD2 3.96Å; F1158-L1226 HydrophobicContact CE2-CD2 4.44Å; M1196-L1226 HydrophobicContact SD-CD1 4.21Å; M1196-L1226 HydrophobicContact SD-CD2 4.34Å; L1224-L1226 PolarHBondContact O-N 3.35Å; L1226-F1228 PolarHBondContact O-N 3.35Å | ||
| 1227 | G | 25.1 | Very low | 26.1 | Very low | 47 Ų | 47 | 102.8 Ų | 102.8 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | trans | -67.9 | 97.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q1225 | Q1225-G1227 PolarHBondContact O-N 3.06Š| ||
| 1228 | F | 24.3 | Very low | 26.3 | Very low | 58 Ų | 58 | 102.6 Ų | 102.6 | 25% | 0.254 | 59% | 0.594 | S | S | . | * | trans | -109.2 | 97.2 | 170 | -81 | -75.4 | 0 | 0 | 0 | 111.5 | F1158 I1161 L1226 L1230 | F1158-F1228 HydrophobicContact CD2-CE2 4.48Å; F1158-F1228 HydrophobicContact CE2-CE2 4.17Å; F1158-F1228 HydrophobicContact CE2-CZ 4.1Å; I1161-F1228 HydrophobicContact CG2-CD2 4.33Å; L1226-F1228 PolarHBondContact O-N 3.35Å; F1228-L1230 PolarHBondContact O-N 3.14Å | ||
| 1229 | Q | 25.6 | Very low | 26.2 | Very low | 196 Ų | 196 | 102 Ų | 102 | 92% | 0.916 | 59% | 0.587 | S | S | * | * | trans | -56.1 | 112.5 | 165.5 | -75.5 | 176.2 | -47.8 | 0 | 0 | 110.5 | ||||
| 1230 | L | 24.8 | Very low | 26.3 | Very low | 125 Ų | 125 | 95 Ų | 95 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | trans | -99.1 | 132.2 | 138 | -82.4 | 166.6 | 0 | 0 | 0 | 105.2 | K1165 F1228 P1232 | K1165-L1230 HydrophobicContact CD-CD1 4.17Å; F1228-L1230 PolarHBondContact O-N 3.14Å; L1230-P1232 WeakPolarHBondContact O-CD 3.5Å; L1230-P1232 VanDerWaalsContact O-N 3.11Å | ||
| 1231 | I | 23.4 | Very low | 26.4 | Very low | 165 Ų | 165 | 91.9 Ų | 91.9 | 85% | 0.846 | 54% | 0.544 | S | S | * | . | trans | -61.1 | 112 | -176.5 | -59.5 | 169.8 | 0 | 0 | 0 | 108.7 | ||||
| 1232 | P | 24.5 | Very low | 26.4 | Very low | 94 Ų | 94 | 94 Ų | 94 | 61% | 0.61 | 55% | 0.548 | S | S | * | . | trans | -90.2 | 117.6 | 170.3 | 31.6 | -18.6 | 0 | 0 | 0 | 107.6 | L1230 S1234 | L1230-P1232 WeakPolarHBondContact O-CD 3.5Å; L1230-P1232 VanDerWaalsContact O-N 3.11Å; P1232-S1234 PolarHBondContact O-N 2.98Å | ||
| 1233 | S | 23.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 94.1 Ų | 94.1 | 88% | 0.881 | 55% | 0.553 | S | S | * | * | trans | -78.8 | 59.6 | 164.7 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1234 | S | 25.9 | Very low | 26.4 | Very low | 75 Ų | 75 | 96.1 Ų | 96.1 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | trans | -109.3 | 146.1 | 175.2 | 76.3 | 0 | 0 | 0 | 0 | 107.8 | P1232 | P1232-S1234 PolarHBondContact O-N 2.98Š| ||
| 1235 | S | 24.9 | Very low | 26.4 | Very low | 62 Ų | 62 | 98.6 Ų | 98.6 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | cis | 61.9 | 147.9 | 32.9 | 90.4 | 0 | 0 | 0 | 0 | 113.4 | Q310 | Q310-S1235 PolarHBondContact OE1-OG 3.4Š| ||
| 1236 | P | 30.4 | Very low | 26.3 | Very low | 77 Ų | 77 | 98.8 Ų | 98.8 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | -128.5 | -157.4 | -56.1 | 38.6 | -26.2 | 0 | 0 | 0 | 110.8 | |||||
| 1237 | S | 25.1 | Very low | 26.3 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | trans | 64.7 | 126.6 | 158.8 | 45.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1238 | T | 34.1 | Very low | 26.4 | Very low | 108 Ų | 108 | 105.1 Ų | 105.1 | 66% | 0.663 | 61% | 0.612 | S | S | * | * | trans | -86.3 | 155.1 | 165.9 | 46.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1239 | T | 27 | Very low | 26.7 | Very low | 68 Ų | 68 | 110.5 Ų | 110.5 | 42% | 0.417 | 64% | 0.638 | S | S | . | * | trans | -106.8 | 153.4 | 154.3 | 44.6 | 0 | 0 | 0 | 0 | 110.9 | D376 G661 V662 | D376-T1239 WeakPolarHBondContact OD2-CG2 3.5Å; G661-T1239 CarbonylContact O-C 3.57Å; G661-T1239 WeakPolarHBondContact O-CA 2.97Å; G661-T1239 WeakPolarHBondContact O-CB 3.36Å; G661-T1239 WeakPolarHBondContact O-CG2 3.4Å; V662-T1239 WeakPolarHBondContact O-CA 3.35Å | ||
| 1240 | S | 31.6 | Very low | 27.2 | Very low | 52 Ų | 52 | 105.8 Ų | 105.8 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | trans | -145.4 | -171.6 | -179.7 | 92.5 | 0 | 0 | 0 | 0 | 112.2 | V660 G661 V662 | V660-S1240 CarbonylContact C-O 3.53Å; V660-S1240 WeakPolarHBondContact CA-O 3.39Å; V660-S1240 VanDerWaalsContact CG1-O 3.3Å; V660-S1240 WeakPolarHBondContact CG1-O 3.42Å; G661-S1240 CarbonylContact C-O 3.58Å; G661-S1240 WeakPolarHBondContact CA-O 3.39Å; G661-S1240 PolarHBondContact N-O 2.72Å; G661-S1240 PolarHBondContact O-N 2.96Å; G661-S1240 VanDerWaalsContact O-O 3.06Å; V662-S1240 VanDerWaalsContact CB-OG 3.3Å; V662-S1240 WeakPolarHBondContact CB-OG 3.29Å | ||
| 1241 | T | 28.3 | Very low | 27.6 | Very low | 59 Ų | 59 | 106.9 Ų | 106.9 | 36% | 0.362 | 63% | 0.626 | S | S | . | * | trans | 82.7 | 89.1 | 172.3 | 92.7 | 0 | 0 | 0 | 0 | 123.2 | T659 V660 G661 V662 | T659-T1241 CarbonylContact C-O 3.48Å; T659-T1241 CarbonylContact O-C 3.22Å; V660-T1241 WeakPolarHBondContact CA-O 3.42Å; V660-T1241 PolarHBondContact N-O 3.07Å; G661-T1241 WeakPolarHBondContact CA-OG1 3.46Å; V662-T1241 HydrophobicContact CB-CG2 3.99Å; V662-T1241 HydrophobicContact CG2-CG2 3.38Å | ||
| 1242 | M | 27.5 | Very low | 28 | Very low | 159 Ų | 159 | 105.8 Ų | 105.8 | 78% | 0.783 | 62% | 0.617 | S | S | * | * | 54.9 | 122 | 126.8 | -56.1 | 170.7 | 71.3 | 0 | 0 | 123.1 | T659 | T659-M1242 CarbonylContact O-C 3.5Š| |||
| 1243 | T | 26.4 | Very low | 28.3 | Very low | 86 Ų | 86 | 108.3 Ų | 108.3 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | trans | 161.4 | 163.9 | 134.3 | 36.5 | 0 | 0 | 0 | 0 | 110.4 | T659 | T659-T1243 WeakPolarHBondContact CB-OG1 3.1Å; T659-T1243 PolarHBondContact OG1-OG1 2.78Å | ||
| 1244 | E | 25.2 | Very low | 28.6 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | cis | -156.9 | 164.1 | -27.7 | -126.7 | -160.4 | -76 | 0 | 0 | 110.5 | ||||
| 1245 | T | 24.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 110 Ų | 110 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | 63.8 | 161.5 | 159.9 | 64.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1246 | T | 24.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | cis | -154 | 165.3 | -0.8 | -10 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1247 | T | 25.4 | Very low | 28.5 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 74% | 0.742 | 65% | 0.649 | S | S | * | * | trans | 65 | 146.2 | 153.7 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1248 | T | 28.3 | Very low | 28.5 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 64% | 0.644 | 65% | 0.654 | S | S | * | * | cis | -161.4 | 137.7 | -2.5 | 9.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1249 | H | 30.2 | Very low | 28.1 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | trans | 59.9 | 166.4 | 139.8 | -72.9 | -31 | 0 | 0 | 0 | 122.5 | ||||
| 1250 | P | 36.3 | Very low | 28 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 63% | 0.63 | 67% | 0.667 | S | S | * | * | cis | -133.8 | -177.5 | -16.6 | 21.1 | 4.3 | 0 | 0 | 0 | 116 | ||||
| 1251 | H | 32.3 | Very low | 27.9 | Very low | 148 Ų | 148 | 122.8 Ų | 122.8 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | trans | 95.9 | 115.2 | 151 | -69.6 | -64.2 | 0 | 0 | 0 | 123.6 | ||||
| 1252 | H | 32 | Very low | 27.8 | Very low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | trans | 62.9 | 145.1 | 142.2 | -59.5 | -57.8 | 0 | 0 | 0 | 120.3 | ||||
| 1253 | H | 31.5 | Very low | 27.8 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | cis | -162.4 | 154.1 | -5.6 | -118.7 | -47 | 0 | 0 | 0 | 110.6 | ||||
| 1254 | L | 28.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | 61.6 | 115.5 | 156.5 | -94.2 | 67.4 | 0 | 0 | 0 | 118.6 | ||||
| 1255 | S | 27.2 | Very low | 27.9 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | 70.1 | 140.9 | 90.1 | 78.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1256 | S | 25.9 | Very low | 27.9 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | cis | 177.2 | 166.1 | -8.4 | 50.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1257 | M | 26.1 | Very low | 27.9 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | trans | 70.1 | 159.9 | 164.1 | -63.4 | -172.6 | 173.5 | 0 | 0 | 116.2 | ||||
| 1258 | V | 25.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | cis | -163.7 | 145.5 | -13.7 | 126.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1259 | S | 24.8 | Very low | 27.8 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 48.2 | 119.6 | 150.8 | -59.8 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1260 | S | 26.1 | Very low | 27.5 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | 41.8 | 132.9 | 124.1 | 70.3 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1261 | N | 29.2 | Very low | 26.9 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | 168.6 | 120.5 | 120.7 | -81.7 | -27.6 | 0 | 0 | 0 | 109.8 | |||||
| 1262 | I | 24.8 | Very low | 26.5 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | 61.2 | 113.4 | 77.4 | -53.1 | 168.5 | 0 | 0 | 0 | 115.1 | |||||
| 1263 | I | 28.9 | Very low | 26.1 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 175.5 | 154.2 | 133.6 | -92.5 | 162.9 | 0 | 0 | 0 | 111.5 | ||||
| 1264 | N | 24.8 | Very low | 25.8 | Very low | 156 Ų | 156 | 132 Ų | 132 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -99.1 | 154.5 | -168.4 | -60.5 | -29.8 | 0 | 0 | 0 | 116.3 | ||||
| 1265 | S | 28 | Very low | 25.5 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -176.3 | 135.6 | 136.8 | 43.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1266 | S | 24.8 | Very low | 25.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | cis | 65.9 | 127.7 | 49.5 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1267 | T | 25.6 | Very low | 25.4 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | cis | -168.6 | 161.1 | 18.3 | -5.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1268 | V | 24.2 | Very low | 25.3 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | 56.3 | 119.3 | 149.6 | 174.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1269 | F | 26.8 | Very low | 25.2 | Very low | 212 Ų | 212 | 127.8 Ų | 127.8 | 93% | 0.93 | 71% | 0.709 | S | S | * | * | -147.7 | 169.5 | 114.1 | -114.6 | -79.4 | 0 | 0 | 0 | 110 | |||||
| 1270 | N | 23.2 | Very low | 25.3 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | trans | -145.9 | 164.5 | -151.7 | -161.2 | 7.5 | 0 | 0 | 0 | 112.7 | ||||
| 1271 | Q | 24.6 | Very low | 25.4 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | trans | 71.2 | 146.5 | 169.4 | -56.3 | 177.4 | -65.3 | 0 | 0 | 116.3 | ||||
| 1272 | T | 24.2 | Very low | 25.3 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | cis | -160.2 | 148.7 | -8.4 | 14.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1273 | D | 23 | Very low | 25.4 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | 35.2 | 120.2 | 148 | -45.7 | -30.6 | 0 | 0 | 0 | 121.5 | ||||
| 1274 | N | 25.7 | Very low | 25.3 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | -172.1 | 151.8 | 97.6 | -98.5 | -69.8 | 0 | 0 | 0 | 114.7 | |||||
| 1275 | S | 23 | Very low | 25.2 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | trans | -35 | 134.9 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1276 | L | 24.9 | Very low | 25.1 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | -173.7 | 142.7 | 105 | -97.2 | 162.7 | 0 | 0 | 0 | 114.1 | |||||
| 1277 | E | 24.5 | Very low | 25.1 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 57% | 0.565 | 71% | 0.713 | S | S | * | * | trans | -0.3 | 109 | 166.1 | -62.1 | 174.8 | 151.6 | 0 | 0 | 120.4 | N203 | N203-E1277 PolarHBondContact ND2-OE1 2.89Š| ||
| 1278 | K | 23.6 | Very low | 25.1 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | trans | -119.8 | 135.7 | 143.1 | -81.7 | -168.7 | 175.4 | -169.7 | 0 | 109.2 | Y1282 | K1278-Y1282 HydrophobicContact CD-CD2 4.04Å; K1278-Y1282 HydrophobicContact CD-CG 4.2Å; K1278-Y1282 VanDerWaalsContact NZ-CG 3.27Å | ||
| 1279 | S | 25.3 | Very low | 25.1 | Very low | 41 Ų | 41 | 138.8 Ų | 138.8 | 29% | 0.287 | 71% | 0.711 | S | S | . | * | trans | -154.3 | 143.3 | 168.3 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | E201 | E201-S1279 WeakPolarHBondContact OE1-CB 3.49Å; E201-S1279 PolarHBondContact OE1-OG 2.99Å | ||
| 1280 | S | 25.8 | Very low | 25 | Very low | 52 Ų | 52 | 134.5 Ų | 134.5 | 36% | 0.364 | 70% | 0.698 | S | S | . | * | S | Bend | trans | 59.6 | 103.3 | -173.4 | 65.3 | 0 | 0 | 0 | 0 | 115.5 | D77 R263 | D77-S1280 WeakPolarHBondContact OD2-CA 3.37Å; D77-S1280 PolarHBondContact OD2-N 3.33Å; R263-S1280 PolarHBondContact NH1-OG 2.73Å |
| 1281 | L | 27.6 | Very low | 25.1 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | 63.9 | 109.7 | 166.3 | -64.1 | 161.6 | 0 | 0 | 0 | 116.6 | W381 | W381-L1281 HydrophobicContact CH2-CD1 4.39Å; W381-L1281 HydrophobicContact CZ3-CD1 4.47Å | ||
| 1282 | Y | 28.3 | Very low | 25.2 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | trans | -146.5 | 115.9 | 165.5 | -127.4 | -82.3 | 0 | 0 | 0 | 111.8 | K1278 | K1278-Y1282 HydrophobicContact CD-CD2 4.04Å; K1278-Y1282 HydrophobicContact CD-CG 4.2Å; K1278-Y1282 VanDerWaalsContact NZ-CG 3.27Å | ||
| 1283 | N | 26.5 | Very low | 25.2 | Very low | 123 Ų | 123 | 135 Ų | 135 | 66% | 0.658 | 70% | 0.698 | S | S | * | * | trans | -0.3 | 146.7 | 160.8 | -48.2 | 11.7 | 0 | 0 | 0 | 120.9 | ||||
| 1284 | D | 26 | Very low | 25.4 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | -139.9 | 156.7 | 125.1 | -99.7 | -37.4 | 0 | 0 | 0 | 110 | |||||
| 1285 | E | 23.7 | Very low | 25.4 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | trans | 60.9 | 57.9 | 175.1 | -59.4 | -161 | 145.1 | 0 | 0 | 120.4 | ||||
| 1286 | L | 25.2 | Very low | 25.6 | Very low | 235 Ų | 235 | 137.1 Ų | 137.1 | 100% | 1.23 | 69% | 0.689 | S | S | * | * | -171.4 | 0 | 121.6 | -108.1 | 163.3 | 0 | 0 | 0 | 112.8 |
Retrieved 1,286 of 1,286 residues in 592.9 ms
(Link to these results)