| 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 | 39.4 | Very low | 66.4 | Low | 230 Ų | 230 | 125.7 Ų | 125.7 | 100% | 1.133 | 75% | 0.75 | S | S | * | * | 0 | 120.1 | 0 | -68.7 | 177.9 | 175.8 | 0 | 0 | 106.3 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.47Å; M1-P3 WeakPolarHBondContact O-CG 3.3Å | |||
| 2 | N | 47.8 | Very low | 68.4 | Low | 168 Ų | 168 | 122.2 Ų | 122.2 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -79.6 | 102 | 175.8 | -118.5 | -12.8 | 0 | 0 | 0 | 107.4 | G4 | N2-G4 PolarHBondContact O-N 3.37Š| ||
| 3 | P | 53.5 | Low | 70 | Confident | 130 Ų | 130 | 123.9 Ų | 123.9 | 84% | 0.844 | 73% | 0.731 | S | S | * | * | trans | -91.2 | 22.9 | -179.4 | 9.4 | 15.3 | 0 | 0 | 0 | 110.6 | M1 | M1-P3 WeakPolarHBondContact O-CD 3.47Å; M1-P3 WeakPolarHBondContact O-CG 3.3Å | ||
| 4 | G | 53.4 | Low | 71.5 | Confident | 64 Ų | 64 | 121.1 Ų | 121.1 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | trans | -103.9 | 30.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N2 S6 | N2-G4 PolarHBondContact O-N 3.37Å; G4-S6 PolarHBondContact O-N 2.61Å | ||
| 5 | G | 61.2 | Low | 72.8 | Confident | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | trans | -70.3 | 96.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | S | 67.4 | Low | 74 | Confident | 102 Ų | 102 | 120.4 Ų | 120.4 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -52.6 | 128.7 | 167.5 | 47.5 | 0 | 0 | 0 | 0 | 108.5 | G4 I8 | G4-S6 PolarHBondContact O-N 2.61Å; S6-I8 PolarHBondContact O-N 3.47Å | ||
| 7 | P | 73.6 | Confident | 75 | Confident | 108 Ų | 108 | 117.9 Ų | 117.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -55.8 | 130.2 | 179.9 | 20.2 | -29.6 | 0 | 0 | 0 | 109.1 | K9 | P7-K9 PolarHBondContact O-N 3.15Š| ||
| 8 | I | 79.8 | Confident | 76 | Confident | 157 Ų | 157 | 115.6 Ų | 115.6 | 81% | 0.805 | 67% | 0.665 | S | S | * | * | trans | -61 | 109.4 | 174.2 | -59 | 169.7 | 0 | 0 | 0 | 106.1 | S6 V10 | S6-I8 PolarHBondContact O-N 3.47Å; I8-V10 HydrophobicContact CG2-CG2 4.2Å | ||
| 9 | K | 82 | Confident | 76.9 | Confident | 180 Ų | 180 | 114.9 Ų | 114.9 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 119.8 | 172 | -67.8 | -176 | 179.5 | -178.9 | 0 | 106.8 | P7 | P7-K9 PolarHBondContact O-N 3.15Š|
| 10 | V | 83.5 | Confident | 77.6 | Confident | 60 Ų | 60 | 111.9 Ų | 111.9 | 36% | 0.364 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -99.6 | 123.8 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 106.7 | I8 D14 L15 I18 | I8-V10 HydrophobicContact CG2-CG2 4.2Å; V10-D14 HydrophobicContact CG1-CB 3.45Å; V10-D14 VanDerWaalsContact CG1-CB 3.45Å; V10-L15 HydrophobicContact CB-CD2 4.21Å; V10-L15 HydrophobicContact CB-CG 4.41Å; V10-L15 HydrophobicContact CG1-CD2 3.79Å; V10-L15 HydrophobicContact CG1-CG 3.85Å; V10-I18 HydrophobicContact CG1-CD1 3.83Å |
| 11 | D | 89.4 | Confident | 78.3 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 161.2 | 179.3 | -74.8 | -31.9 | 0 | 0 | 0 | 111.2 | E13 D14 L15 | D11-E13 PolarHBondContact O-N 2.93Å; D11-D14 WeakPolarHBondContact O-CB 3.33Å; D11-D14 PolarHBondContact O-N 3.27Å; D11-D14 VanDerWaalsContact O-N 3.13Å; D11-L15 PolarHBondContact O-N 3.44Å |
| 12 | S | 89.7 | Confident | 80.8 | Confident | 83 Ų | 83 | 105.2 Ų | 105.2 | 58% | 0.58 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.6 | -27 | -178.6 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | K16 | S12-K16 WeakPolarHBondContact O-CG 3.32Å; S12-K16 PolarHBondContact O-N 3.09Å |
| 13 | E | 89.9 | Confident | 83 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.2 | -44.1 | 175.4 | -66.8 | -177.7 | 174.3 | 0 | 0 | 110.6 | D11 L15 K16 S17 | D11-E13 PolarHBondContact O-N 2.93Å; E13-L15 VanDerWaalsContact C-N 3.29Å; E13-L15 PolarHBondContact O-N 3.19Å; E13-K16 WeakPolarHBondContact O-CB 3.1Å; E13-K16 PolarHBondContact O-N 3.43Å; E13-K16 VanDerWaalsContact O-N 3.1Å; E13-S17 PolarHBondContact O-N 3.39Å; E13-S17 PolarHBondContact O-OG 2.91Å |
| 14 | D | 90 | Very high | 84.9 | Confident | 84 Ų | 84 | 96.4 Ų | 96.4 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 174.7 | -67.5 | -22.9 | 0 | 0 | 0 | 111.5 | V10 D11 K16 S17 I18 | V10-D14 HydrophobicContact CG1-CB 3.45Å; V10-D14 VanDerWaalsContact CG1-CB 3.45Å; D11-D14 WeakPolarHBondContact O-CB 3.33Å; D11-D14 PolarHBondContact O-N 3.27Å; D11-D14 VanDerWaalsContact O-N 3.13Å; D14-K16 VanDerWaalsContact C-N 3.35Å; D14-K16 PolarHBondContact O-N 2.74Å; D14-S17 PolarHBondContact O-N 3.07Å; D14-I18 VanDerWaalsContact O-CG1 3.24Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 2.86Å |
| 15 | L | 91.1 | Very high | 86.7 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 45% | 0.445 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 173.9 | -72.7 | 175.1 | 0 | 0 | 0 | 111.9 | V10 D11 E13 S17 I18 D19 | V10-L15 HydrophobicContact CB-CD2 4.21Å; V10-L15 HydrophobicContact CB-CG 4.41Å; V10-L15 HydrophobicContact CG1-CD2 3.79Å; V10-L15 HydrophobicContact CG1-CG 3.85Å; D11-L15 PolarHBondContact O-N 3.44Å; E13-L15 VanDerWaalsContact C-N 3.29Å; E13-L15 PolarHBondContact O-N 3.19Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.45Å; L15-I18 PolarHBondContact O-N 3.36Å; L15-D19 PolarHBondContact O-N 3.05Å |
| 16 | K | 92.9 | Very high | 88.2 | Confident | 146 Ų | 146 | 103 Ų | 103 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 176.3 | -69.2 | 170.9 | -175.3 | 172.1 | 0 | 111.8 | S12 E13 D14 A20 | S12-K16 WeakPolarHBondContact O-CG 3.32Å; S12-K16 PolarHBondContact O-N 3.09Å; E13-K16 WeakPolarHBondContact O-CB 3.1Å; E13-K16 PolarHBondContact O-N 3.43Å; E13-K16 VanDerWaalsContact O-N 3.1Å; D14-K16 VanDerWaalsContact C-N 3.35Å; D14-K16 PolarHBondContact O-N 2.74Å; K16-A20 VanDerWaalsContact O-CB 3.28Å; K16-A20 WeakPolarHBondContact O-CB 3.46Å; K16-A20 PolarHBondContact O-N 3.12Å |
| 17 | S | 90.9 | Very high | 89.4 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -38.9 | 176.1 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | E13 D14 L15 Y21 | E13-S17 PolarHBondContact O-N 3.39Å; E13-S17 PolarHBondContact O-OG 2.91Å; D14-S17 PolarHBondContact O-N 3.07Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.45Å; S17-Y21 WeakPolarHBondContact O-CB 3.48Å; S17-Y21 PolarHBondContact O-N 2.88Å |
| 18 | I | 92.3 | Very high | 90.3 | Very high | 76 Ų | 76 | 93.1 Ų | 93.1 | 39% | 0.39 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 174.5 | -68.2 | 162.8 | 0 | 0 | 0 | 110.3 | V10 D14 L15 A20 Y21 E22 | V10-I18 HydrophobicContact CG1-CD1 3.83Å; D14-I18 VanDerWaalsContact O-CG1 3.24Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 2.86Å; L15-I18 PolarHBondContact O-N 3.36Å; I18-A20 VanDerWaalsContact C-N 3.33Å; I18-A20 PolarHBondContact O-N 3.41Å; I18-Y21 PolarHBondContact O-N 3.47Å; I18-Y21 VanDerWaalsContact O-N 3.13Å; I18-E22 PolarHBondContact O-N 3.45Å |
| 19 | D | 93.3 | Very high | 90.8 | Very high | 102 Ų | 102 | 86.1 Ų | 86.1 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 179 | -73.6 | -22.7 | 0 | 0 | 0 | 111.6 | L15 Y21 E22 E23 | L15-D19 PolarHBondContact O-N 3.05Å; D19-Y21 VanDerWaalsContact C-N 3.32Å; D19-Y21 PolarHBondContact O-N 3.39Å; D19-E22 PolarHBondContact O-N 2.91Å; D19-E23 WeakPolarHBondContact O-CB 3.33Å; D19-E23 PolarHBondContact O-N 2.8Å |
| 20 | A | 91.6 | Very high | 91 | Very high | 55 Ų | 55 | 81 Ų | 81 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K16 I18 Y24 | K16-A20 VanDerWaalsContact O-CB 3.28Å; K16-A20 WeakPolarHBondContact O-CB 3.46Å; K16-A20 PolarHBondContact O-N 3.12Å; I18-A20 VanDerWaalsContact C-N 3.33Å; I18-A20 PolarHBondContact O-N 3.41Å; A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 3.08Å |
| 21 | Y | 92.3 | Very high | 91.2 | Very high | 117 Ų | 117 | 79.8 Ų | 79.8 | 46% | 0.459 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71 | -38.1 | 175.8 | -178.7 | -108.6 | 0 | 0 | 0 | 112.3 | S17 I18 D19 Y24 R25 | S17-Y21 WeakPolarHBondContact O-CB 3.48Å; S17-Y21 PolarHBondContact O-N 2.88Å; I18-Y21 PolarHBondContact O-N 3.47Å; I18-Y21 VanDerWaalsContact O-N 3.13Å; D19-Y21 VanDerWaalsContact C-N 3.32Å; D19-Y21 PolarHBondContact O-N 3.39Å; Y21-Y24 HydrophobicContact CD2-CD1 4.3Å; Y21-Y24 HydrophobicContact CE2-CD1 4.27Å; Y21-Y24 WeakPolarHBondContact O-CB 3.5Å; Y21-Y24 PolarHBondContact O-N 2.83Å; Y21-R25 HydrophobicContact CD1-CG 4.48Å; Y21-R25 VanDerWaalsContact CE1-CD 3.44Å; Y21-R25 HydrophobicContact CE1-CG 4.06Å; Y21-R25 HydrophobicContact CE2-CG 4.28Å; Y21-R25 WeakPolarHBondContact O-CG 3.38Å; Y21-R25 PolarHBondContact O-N 3.47Å |
| 22 | E | 92.2 | Very high | 91.1 | Very high | 85 Ų | 85 | 75.8 Ų | 75.8 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 172.8 | -76.3 | -159 | -178.5 | 0 | 0 | 111.9 | I18 D19 Y24 R25 R26 | I18-E22 PolarHBondContact O-N 3.45Å; D19-E22 PolarHBondContact O-N 2.91Å; E22-Y24 VanDerWaalsContact C-N 3.35Å; E22-R25 PolarHBondContact O-N 3.38Å; E22-R26 VanDerWaalsContact O-CG 3.28Å; E22-R26 WeakPolarHBondContact O-CG 3.44Å; E22-R26 PolarHBondContact O-N 3Å; E22-R26 IonicContact OE2-CZ 3.25Å; E22-R26 IonicContact OE2-NH2 2.77Å; E22-R26 PolarHBondContact OE2-NH2 3.12Å |
| 23 | E | 92.1 | Very high | 90.9 | Very high | 97 Ų | 97 | 79.1 Ų | 79.1 | 45% | 0.453 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.4 | -170.2 | -175.7 | -173.4 | 0 | 0 | 111 | D19 R25 R26 I27 | D19-E23 WeakPolarHBondContact O-CB 3.33Å; D19-E23 PolarHBondContact O-N 2.8Å; E23-R25 VanDerWaalsContact C-N 3.33Å; E23-R25 PolarHBondContact O-N 3.14Å; E23-R26 PolarHBondContact O-N 2.88Å; E23-R26 VanDerWaalsContact O-N 3.12Å; E23-I27 HydrophobicContact CG-CD1 3.96Å; E23-I27 WeakPolarHBondContact O-CG1 3.38Å; E23-I27 PolarHBondContact O-N 3.22Å |
| 24 | Y | 94 | Very high | 90.7 | Very high | 15 Ų | 15 | 75.3 Ų | 75.3 | 6% | 0.059 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -52.6 | -50.4 | 173.1 | 170.8 | -94.3 | 0 | 0 | 0 | 111.3 | A20 Y21 E22 R26 I27 V28 D32 F37 Y42 | A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 3.08Å; Y21-Y24 HydrophobicContact CD2-CD1 4.3Å; Y21-Y24 HydrophobicContact CE2-CD1 4.27Å; Y21-Y24 WeakPolarHBondContact O-CB 3.5Å; Y21-Y24 PolarHBondContact O-N 2.83Å; E22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-R26 VanDerWaalsContact C-N 3.31Å; Y24-R26 PolarHBondContact O-N 2.83Å; Y24-I27 PolarHBondContact O-N 3.34Å; Y24-V28 HydrophobicContact CD2-CG2 3.83Å; Y24-V28 HydrophobicContact CE1-CB 4.42Å; Y24-V28 HydrophobicContact CE2-CB 4.18Å; Y24-V28 HydrophobicContact CE2-CG2 3.46Å; Y24-V28 VanDerWaalsContact CE2-CG2 3.46Å; Y24-V28 HydrophobicContact CG-CG2 4.48Å; Y24-V28 WeakPolarHBondContact O-CB 3.36Å; Y24-V28 PolarHBondContact O-N 3.41Å; Y24-D32 WeakPolarHBondContact OH-CB 3.42Å; Y24-F37 HydrophobicContact CE2-CB 4.08Å; Y24-F37 HydrophobicContact CE2-CD2 4.18Å; Y24-F37 HydrophobicContact CE2-CG 4.42Å; Y24-F37 PolarHBondContact OH-N 3.17Å; Y24-Y42 HydrophobicContact CD2-CD1 4.28Å; Y24-Y42 AromaticContact CD2-CD2 3.56Å; Y24-Y42 HydrophobicContact CD2-CD2 3.56Å; Y24-Y42 HydrophobicContact CD2-CE1 4.29Å; Y24-Y42 AromaticContact CD2-CE2 3.6Å; Y24-Y42 HydrophobicContact CD2-CE2 3.6Å; Y24-Y42 AromaticContact CD2-CG 3.92Å; Y24-Y42 HydrophobicContact CD2-CG 3.92Å; Y24-Y42 AromaticContact CD2-CZ 3.96Å; Y24-Y42 AromaticContact CE2-CD2 3.75Å; Y24-Y42 HydrophobicContact CE2-CD2 3.75Å; Y24-Y42 HydrophobicContact CE2-CE2 4.2Å; Y24-Y42 HydrophobicContact CE2-CG 4.13Å |
| 25 | R | 92.4 | Very high | 90.7 | Very high | 151 Ų | 151 | 79.1 Ų | 79.1 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.5 | -33.1 | 178.7 | -74.8 | -171.6 | 69.6 | -169.2 | 3.7 | 113.2 | Y21 E22 E23 G29 | Y21-R25 HydrophobicContact CD1-CG 4.48Å; Y21-R25 VanDerWaalsContact CE1-CD 3.44Å; Y21-R25 HydrophobicContact CE1-CG 4.06Å; Y21-R25 HydrophobicContact CE2-CG 4.28Å; Y21-R25 WeakPolarHBondContact O-CG 3.38Å; Y21-R25 PolarHBondContact O-N 3.47Å; E22-R25 PolarHBondContact O-N 3.38Å; E23-R25 VanDerWaalsContact C-N 3.33Å; E23-R25 PolarHBondContact O-N 3.14Å; R25-G29 WeakPolarHBondContact O-CA 3.38Å; R25-G29 PolarHBondContact O-N 2.91Å |
| 26 | R | 92.3 | Very high | 90.7 | Very high | 125 Ų | 125 | 79.1 Ų | 79.1 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.7 | -33 | 176.7 | -66.1 | 169.1 | -166.3 | -176.8 | 6.7 | 112 | E22 E23 Y24 Y191 Q192 | E22-R26 VanDerWaalsContact O-CG 3.28Å; E22-R26 WeakPolarHBondContact O-CG 3.44Å; E22-R26 PolarHBondContact O-N 3Å; E22-R26 IonicContact OE2-CZ 3.25Å; E22-R26 IonicContact OE2-NH2 2.77Å; E22-R26 PolarHBondContact OE2-NH2 3.12Å; E23-R26 PolarHBondContact O-N 2.88Å; E23-R26 VanDerWaalsContact O-N 3.12Å; Y24-R26 VanDerWaalsContact C-N 3.31Å; Y24-R26 PolarHBondContact O-N 2.83Å; R26-Y191 HydrophobicContact CB-CD1 3.38Å; R26-Y191 HydrophobicContact CB-CE1 3.67Å; R26-Y191 HydrophobicContact CB-CG 3.87Å; R26-Y191 WeakPolarHBondContact O-CA 3.31Å; R26-Y191 WeakPolarHBondContact O-CB 3.47Å; R26-Q192 PolarHBondContact O-N 3.09Å |
| 27 | I | 93.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -80.1 | -49.9 | 178.9 | -69.7 | 174.2 | 0 | 0 | 0 | 111.2 | E23 Y24 Y42 Y45 K46 L50 R53 Y191 | E23-I27 HydrophobicContact CG-CD1 3.96Å; E23-I27 WeakPolarHBondContact O-CG1 3.38Å; E23-I27 PolarHBondContact O-N 3.22Å; Y24-I27 PolarHBondContact O-N 3.34Å; I27-Y42 HydrophobicContact CB-CE2 4.39Å; I27-Y42 WeakPolarHBondContact CD1-OH 3.31Å; I27-Y42 HydrophobicContact CG2-CE2 4.06Å; I27-Y45 HydrophobicContact CG2-CD1 4.38Å; I27-Y45 HydrophobicContact CG2-CE1 4.26Å; I27-K46 HydrophobicContact CG2-CG 4.27Å; I27-L50 HydrophobicContact CG2-CD2 4.26Å; I27-R53 PolarHBondContact O-NH1 3.44Å; I27-Y191 HydrophobicContact CG1-CD1 3.84Å; I27-Y191 HydrophobicContact CG1-CE1 4.08Å |
| 28 | V | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -83.8 | -29.8 | -176 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | Y24 E30 D31 D32 F37 Y42 Y45 Q192 | Y24-V28 HydrophobicContact CD2-CG2 3.83Å; Y24-V28 HydrophobicContact CE1-CB 4.42Å; Y24-V28 HydrophobicContact CE2-CB 4.18Å; Y24-V28 HydrophobicContact CE2-CG2 3.46Å; Y24-V28 VanDerWaalsContact CE2-CG2 3.46Å; Y24-V28 HydrophobicContact CG-CG2 4.48Å; Y24-V28 WeakPolarHBondContact O-CB 3.36Å; Y24-V28 PolarHBondContact O-N 3.41Å; V28-E30 PolarHBondContact O-N 2.97Å; V28-D31 HydrophobicContact CG1-CB 4.08Å; V28-D31 WeakPolarHBondContact O-CB 3.25Å; V28-D31 PolarHBondContact O-N 2.73Å; V28-D31 VanDerWaalsContact O-N 3.16Å; V28-D32 HydrophobicContact CG1-CB 3.94Å; V28-F37 HydrophobicContact CG1-CD2 4.12Å; V28-F37 HydrophobicContact CG1-CE2 3.56Å; V28-F37 HydrophobicContact CG1-CZ 4.09Å; V28-F37 HydrophobicContact CG2-CD2 4.12Å; V28-F37 HydrophobicContact CG2-CE2 4.14Å; V28-Y42 HydrophobicContact CG2-CD2 3.88Å; V28-Y42 HydrophobicContact CG2-CE2 3.88Å; V28-Y45 HydrophobicContact CG2-CD1 4.11Å; V28-Y45 HydrophobicContact CG2-CE1 4.12Å; V28-Q192 PolarHBondContact O-OE1 3.27Å |
| 29 | G | 88.6 | Confident | 90.6 | Very high | 10 Ų | 10 | 75.7 Ų | 75.7 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | -113.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R25 Q192 | R25-G29 WeakPolarHBondContact O-CA 3.38Å; R25-G29 PolarHBondContact O-N 2.91Å; G29-Q192 VanDerWaalsContact CA-OE1 3.28Å |
| 30 | E | 87.5 | Confident | 90.7 | Very high | 73 Ų | 73 | 79.2 Ų | 79.2 | 34% | 0.341 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 17.9 | 179.2 | -63.6 | -178 | -163 | 0 | 0 | 112 | V28 D32 Q87 | V28-E30 PolarHBondContact O-N 2.97Å; E30-D32 PolarHBondContact O-N 3.35Å; E30-Q87 WeakPolarHBondContact OE2-CG 3.17Å; E30-Q87 PolarHBondContact OE2-NE2 3.4Å |
| 31 | D | 87.8 | Confident | 90.8 | Very high | 34 Ų | 34 | 81.6 Ų | 81.6 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.5 | 177.7 | -72.9 | -1.8 | 0 | 0 | 0 | 113.8 | V28 D33 Y45 K106 Q192 | V28-D31 HydrophobicContact CG1-CB 4.08Å; V28-D31 WeakPolarHBondContact O-CB 3.25Å; V28-D31 PolarHBondContact O-N 2.73Å; V28-D31 VanDerWaalsContact O-N 3.16Å; D31-D33 VanDerWaalsContact C-N 3.35Å; D31-Y45 HydrophobicContact CB-CE2 4.07Å; D31-Y45 PolarHBondContact OD2-OH 3.16Å; D31-K106 IonicContact OD1-NZ 2.98Å; D31-K106 PolarHBondContact OD1-NZ 2.9Å; D31-Q192 PolarHBondContact OD1-NE2 3.35Å; D31-Q192 PolarHBondContact OD2-NE2 3.07Å |
| 32 | D | 87.3 | Confident | 90.9 | Very high | 27 Ų | 27 | 77.6 Ų | 77.6 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0.1 | -178.4 | 69.1 | -18 | 0 | 0 | 0 | 113.6 | Y24 V28 E30 G34 K35 F37 | Y24-D32 WeakPolarHBondContact OH-CB 3.42Å; V28-D32 HydrophobicContact CG1-CB 3.94Å; E30-D32 PolarHBondContact O-N 3.35Å; D32-G34 PolarHBondContact O-N 2.99Å; D32-G34 PolarHBondContact OD1-N 3.39Å; D32-K35 PolarHBondContact O-N 3.25Å; D32-F37 HydrophobicContact CB-CD1 4.35Å; D32-F37 HydrophobicContact CB-CE1 4.03Å; D32-F37 HydrophobicContact CB-CZ 4.22Å |
| 33 | D | 84.4 | Confident | 91 | Very high | 153 Ų | 153 | 79 Ų | 79 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 30.7 | -176.9 | -66.2 | -44.7 | 0 | 0 | 0 | 112.8 | D31 | D31-D33 VanDerWaalsContact C-N 3.35Š|
| 34 | G | 86.1 | Confident | 91.1 | Very high | 64 Ų | 64 | 77.2 Ų | 77.2 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | D32 | D32-G34 PolarHBondContact O-N 2.99Å; D32-G34 PolarHBondContact OD1-N 3.39Å |
| 35 | K | 90.3 | Very high | 91.1 | Very high | 164 Ų | 164 | 77.4 Ų | 77.4 | 71% | 0.713 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -115.4 | 111.3 | 173.8 | -71.5 | -177.3 | -176.2 | 175.5 | 0 | 110.7 | D32 F37 | D32-K35 PolarHBondContact O-N 3.25Å; K35-F37 PolarHBondContact O-N 3.27Å |
| 36 | P | 90.2 | Very high | 91.2 | Very high | 86 Ų | 86 | 73.2 Ų | 73.2 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -54 | 134 | 178.9 | -26.2 | 33.9 | 0 | 0 | 0 | 112.2 | ||
| 37 | F | 92 | Very high | 91.3 | Very high | 55 Ų | 55 | 73.4 Ų | 73.4 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 144.4 | 177.5 | -67.3 | -24.1 | 0 | 0 | 0 | 111.5 | Y24 V28 D32 K35 Q41 Y45 | Y24-F37 HydrophobicContact CE2-CB 4.08Å; Y24-F37 HydrophobicContact CE2-CD2 4.18Å; Y24-F37 HydrophobicContact CE2-CG 4.42Å; Y24-F37 PolarHBondContact OH-N 3.17Å; V28-F37 HydrophobicContact CG1-CD2 4.12Å; V28-F37 HydrophobicContact CG1-CE2 3.56Å; V28-F37 HydrophobicContact CG1-CZ 4.09Å; V28-F37 HydrophobicContact CG2-CD2 4.12Å; V28-F37 HydrophobicContact CG2-CE2 4.14Å; D32-F37 HydrophobicContact CB-CD1 4.35Å; D32-F37 HydrophobicContact CB-CE1 4.03Å; D32-F37 HydrophobicContact CB-CZ 4.22Å; K35-F37 PolarHBondContact O-N 3.27Å; F37-Q41 HydrophobicContact CB-CB 3.87Å; F37-Q41 HydrophobicContact CG-CB 4.2Å; F37-Y45 AromaticContact CE2-CD2 3.59Å; F37-Y45 HydrophobicContact CE2-CD2 3.59Å; F37-Y45 HydrophobicContact CE2-CE2 4.1Å; F37-Y45 AromaticContact CE2-CG 3.96Å; F37-Y45 HydrophobicContact CE2-CG 3.96Å; F37-Y45 HydrophobicContact CZ-CD2 4.26Å |
| 38 | T | 92.4 | Very high | 91.2 | Very high | 72 Ų | 72 | 78.3 Ų | 78.3 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 154.9 | 164.9 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | K40 Q41 Y42 | T38-K40 PolarHBondContact O-N 3.27Å; T38-K40 VanDerWaalsContact O-N 3.13Å; T38-Q41 PolarHBondContact O-N 3.44Å; T38-Q41 WeakPolarHBondContact OG1-CB 3.45Å; T38-Q41 VanDerWaalsContact OG1-CD 3.24Å; T38-Q41 VanDerWaalsContact OG1-CG 3.26Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.36Å; T38-Q41 PolarHBondContact OG1-N 3.45Å; T38-Q41 PolarHBondContact OG1-OE1 2.74Å; T38-Y42 PolarHBondContact O-N 2.69Å |
| 39 | P | 91.6 | Very high | 91.2 | Very high | 101 Ų | 101 | 81 Ų | 81 | 66% | 0.656 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -51.3 | -41 | 178.7 | -29.6 | 35.8 | 0 | 0 | 0 | 113.5 | Y42 E43 | P39-Y42 PolarHBondContact O-N 2.96Å; P39-E43 WeakPolarHBondContact O-CG 3.36Å; P39-E43 PolarHBondContact O-N 3.33Å |
| 40 | K | 94.6 | Very high | 91.4 | Very high | 176 Ų | 176 | 81.9 Ų | 81.9 | 77% | 0.765 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 176.6 | -66.4 | -174.8 | 178.4 | -177.6 | 0 | 113 | T38 Y42 A44 | T38-K40 PolarHBondContact O-N 3.27Å; T38-K40 VanDerWaalsContact O-N 3.13Å; K40-Y42 VanDerWaalsContact C-N 3.35Å; K40-A44 WeakPolarHBondContact O-CB 3.4Å; K40-A44 PolarHBondContact O-N 3.42Å |
| 41 | Q | 93.8 | Very high | 91.6 | Very high | 105 Ų | 105 | 81.4 Ų | 81.4 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 176.8 | -76 | 166.2 | -28.4 | 0 | 0 | 111.3 | F37 T38 A44 Y45 | F37-Q41 HydrophobicContact CB-CB 3.87Å; F37-Q41 HydrophobicContact CG-CB 4.2Å; T38-Q41 PolarHBondContact O-N 3.44Å; T38-Q41 WeakPolarHBondContact OG1-CB 3.45Å; T38-Q41 VanDerWaalsContact OG1-CD 3.24Å; T38-Q41 VanDerWaalsContact OG1-CG 3.26Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.36Å; T38-Q41 PolarHBondContact OG1-N 3.45Å; T38-Q41 PolarHBondContact OG1-OE1 2.74Å; Q41-A44 PolarHBondContact O-N 3.1Å; Q41-Y45 WeakPolarHBondContact O-CB 3.42Å; Q41-Y45 PolarHBondContact O-N 3.09Å |
| 42 | Y | 93.7 | Very high | 91.7 | Very high | 34 Ų | 34 | 80.7 Ų | 80.7 | 13% | 0.133 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 177.2 | 178.4 | -133.4 | 0 | 0 | 0 | 112.2 | Y24 I27 V28 T38 P39 K40 Y45 K46 | Y24-Y42 HydrophobicContact CD2-CD1 4.28Å; Y24-Y42 AromaticContact CD2-CD2 3.56Å; Y24-Y42 HydrophobicContact CD2-CD2 3.56Å; Y24-Y42 HydrophobicContact CD2-CE1 4.29Å; Y24-Y42 AromaticContact CD2-CE2 3.6Å; Y24-Y42 HydrophobicContact CD2-CE2 3.6Å; Y24-Y42 AromaticContact CD2-CG 3.92Å; Y24-Y42 HydrophobicContact CD2-CG 3.92Å; Y24-Y42 AromaticContact CD2-CZ 3.96Å; Y24-Y42 AromaticContact CE2-CD2 3.75Å; Y24-Y42 HydrophobicContact CE2-CD2 3.75Å; Y24-Y42 HydrophobicContact CE2-CE2 4.2Å; Y24-Y42 HydrophobicContact CE2-CG 4.13Å; I27-Y42 HydrophobicContact CB-CE2 4.39Å; I27-Y42 WeakPolarHBondContact CD1-OH 3.31Å; I27-Y42 HydrophobicContact CG2-CE2 4.06Å; V28-Y42 HydrophobicContact CG2-CD2 3.88Å; V28-Y42 HydrophobicContact CG2-CE2 3.88Å; T38-Y42 PolarHBondContact O-N 2.69Å; P39-Y42 PolarHBondContact O-N 2.96Å; K40-Y42 VanDerWaalsContact C-N 3.35Å; Y42-Y45 PolarHBondContact O-N 3.15Å; Y42-K46 HydrophobicContact CD2-CG 4.29Å; Y42-K46 HydrophobicContact CE1-CD 4.11Å; Y42-K46 HydrophobicContact CE2-CD 4.05Å; Y42-K46 HydrophobicContact CE2-CG 3.91Å; Y42-K46 WeakPolarHBondContact O-CG 3.33Å; Y42-K46 PolarHBondContact O-N 3.35Å |
| 43 | E | 94.3 | Very high | 91.9 | Very high | 113 Ų | 113 | 79.9 Ų | 79.9 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 173.3 | -74.1 | 177.7 | 173.2 | 0 | 0 | 112.3 | P39 Y45 K46 N47 | P39-E43 WeakPolarHBondContact O-CG 3.36Å; P39-E43 PolarHBondContact O-N 3.33Å; E43-Y45 VanDerWaalsContact C-N 3.3Å; E43-Y45 PolarHBondContact O-N 3.4Å; E43-K46 PolarHBondContact O-N 3.16Å; E43-N47 VanDerWaalsContact O-CG 3.31Å; E43-N47 PolarHBondContact O-N 3.32Å; E43-N47 PolarHBondContact O-ND2 2.96Å |
| 44 | A | 94.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 79.8 Ų | 79.8 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K40 Q41 N47 K48 | K40-A44 WeakPolarHBondContact O-CB 3.4Å; K40-A44 PolarHBondContact O-N 3.42Å; Q41-A44 PolarHBondContact O-N 3.1Å; A44-N47 PolarHBondContact O-N 3.31Å; A44-K48 PolarHBondContact O-N 3.12Å; A44-K48 VanDerWaalsContact O-N 3.1Å |
| 45 | Y | 93.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 83.7 Ų | 83.7 | 7% | 0.071 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 175.5 | -174.1 | -83.1 | 0 | 0 | 0 | 111.2 | I27 V28 D31 F37 Q41 Y42 E43 N47 K48 Y49 R53 | I27-Y45 HydrophobicContact CG2-CD1 4.38Å; I27-Y45 HydrophobicContact CG2-CE1 4.26Å; V28-Y45 HydrophobicContact CG2-CD1 4.11Å; V28-Y45 HydrophobicContact CG2-CE1 4.12Å; D31-Y45 HydrophobicContact CB-CE2 4.07Å; D31-Y45 PolarHBondContact OD2-OH 3.16Å; F37-Y45 AromaticContact CE2-CD2 3.59Å; F37-Y45 HydrophobicContact CE2-CD2 3.59Å; F37-Y45 HydrophobicContact CE2-CE2 4.1Å; F37-Y45 AromaticContact CE2-CG 3.96Å; F37-Y45 HydrophobicContact CE2-CG 3.96Å; F37-Y45 HydrophobicContact CZ-CD2 4.26Å; Q41-Y45 WeakPolarHBondContact O-CB 3.42Å; Q41-Y45 PolarHBondContact O-N 3.09Å; Y42-Y45 PolarHBondContact O-N 3.15Å; E43-Y45 VanDerWaalsContact C-N 3.3Å; E43-Y45 PolarHBondContact O-N 3.4Å; Y45-N47 VanDerWaalsContact C-N 3.33Å; Y45-N47 PolarHBondContact O-N 3.31Å; Y45-K48 PolarHBondContact O-N 3.06Å; Y45-Y49 AromaticContact CD1-CD2 3.9Å; Y45-Y49 HydrophobicContact CD1-CD2 3.9Å; Y45-Y49 HydrophobicContact CD1-CG 4.39Å; Y45-Y49 AromaticContact CD2-CD2 3.51Å; Y45-Y49 HydrophobicContact CD2-CD2 3.51Å; Y45-Y49 AromaticContact CD2-CE2 3.47Å; Y45-Y49 HydrophobicContact CD2-CE2 3.47Å; Y45-Y49 VanDerWaalsContact CD2-CE2 3.47Å; Y45-Y49 AromaticContact CE1-CD2 3.81Å; Y45-Y49 HydrophobicContact CE1-CD2 3.81Å; Y45-Y49 AromaticContact CE1-CG 3.96Å; Y45-Y49 HydrophobicContact CE1-CG 3.96Å; Y45-Y49 AromaticContact CE2-CD2 3.43Å; Y45-Y49 HydrophobicContact CE2-CD2 3.43Å; Y45-Y49 VanDerWaalsContact CE2-CD2 3.43Å; Y45-Y49 AromaticContact CE2-CE2 3.32Å; Y45-Y49 HydrophobicContact CE2-CE2 3.32Å; Y45-Y49 HydrophobicContact CE2-CG 4.12Å; Y45-Y49 AromaticContact CE2-CZ 3.91Å; Y45-Y49 AromaticContact CG-CD2 3.74Å; Y45-Y49 HydrophobicContact CG-CD2 3.74Å; Y45-Y49 HydrophobicContact CG-CE2 4.18Å; Y45-Y49 AromaticContact CZ-CD2 3.58Å; Y45-Y49 AromaticContact CZ-CE2 3.9Å; Y45-Y49 AromaticContact CZ-CG 3.81Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.33Å; Y45-Y49 PolarHBondContact O-N 3.13Å; Y45-R53 PolarHBondContact OH-NH2 2.95Å |
| 46 | K | 93.9 | Very high | 92.3 | Very high | 64 Ų | 64 | 77.4 Ų | 77.4 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.5 | -46 | 176.2 | -77.1 | -172.1 | -63.8 | -179.4 | 0 | 112 | I27 Y42 E43 K48 L50 | I27-K46 HydrophobicContact CG2-CG 4.27Å; Y42-K46 HydrophobicContact CD2-CG 4.29Å; Y42-K46 HydrophobicContact CE1-CD 4.11Å; Y42-K46 HydrophobicContact CE2-CD 4.05Å; Y42-K46 HydrophobicContact CE2-CG 3.91Å; Y42-K46 WeakPolarHBondContact O-CG 3.33Å; Y42-K46 PolarHBondContact O-N 3.35Å; E43-K46 PolarHBondContact O-N 3.16Å; K46-K48 VanDerWaalsContact C-N 3.26Å; K46-K48 PolarHBondContact O-N 3.13Å; K46-L50 HydrophobicContact CB-CD1 3.77Å; K46-L50 HydrophobicContact CB-CG 4.14Å; K46-L50 HydrophobicContact CD-CD1 4.25Å; K46-L50 HydrophobicContact CG-CD1 3.96Å; K46-L50 HydrophobicContact CG-CG 4.39Å; K46-L50 WeakPolarHBondContact O-CB 3.42Å; K46-L50 WeakPolarHBondContact O-CG 3.48Å; K46-L50 PolarHBondContact O-N 3.22Å |
| 47 | N | 94.2 | Very high | 92.4 | Very high | 128 Ų | 128 | 74.5 Ų | 74.5 | 68% | 0.684 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63 | -33.2 | -179.5 | -70.6 | -19.7 | 0 | 0 | 0 | 112.5 | E43 A44 Y45 P51 | E43-N47 VanDerWaalsContact O-CG 3.31Å; E43-N47 PolarHBondContact O-N 3.32Å; E43-N47 PolarHBondContact O-ND2 2.96Å; A44-N47 PolarHBondContact O-N 3.31Å; Y45-N47 VanDerWaalsContact C-N 3.33Å; Y45-N47 PolarHBondContact O-N 3.31Å; N47-P51 WeakPolarHBondContact O-CD 3.47Å; N47-P51 WeakPolarHBondContact O-CG 3.46Å |
| 48 | K | 92.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 72.1 Ų | 72.1 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -78.4 | -53 | 176.3 | -174.6 | 176.6 | 179.6 | 178.2 | 0 | 112.6 | A44 Y45 K46 E93 | A44-K48 PolarHBondContact O-N 3.12Å; A44-K48 VanDerWaalsContact O-N 3.1Å; Y45-K48 PolarHBondContact O-N 3.06Å; K46-K48 VanDerWaalsContact C-N 3.26Å; K46-K48 PolarHBondContact O-N 3.13Å; K48-E93 WeakPolarHBondContact CE-OE1 3.38Å; K48-E93 IonicContact NZ-OE1 2.87Å; K48-E93 PolarHBondContact NZ-OE1 2.83Å |
| 49 | Y | 92.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -88.2 | -31.4 | -166 | -73.7 | -90.6 | 0 | 0 | 0 | 114 | Y45 M52 R53 D91 | Y45-Y49 AromaticContact CD1-CD2 3.9Å; Y45-Y49 HydrophobicContact CD1-CD2 3.9Å; Y45-Y49 HydrophobicContact CD1-CG 4.39Å; Y45-Y49 AromaticContact CD2-CD2 3.51Å; Y45-Y49 HydrophobicContact CD2-CD2 3.51Å; Y45-Y49 AromaticContact CD2-CE2 3.47Å; Y45-Y49 HydrophobicContact CD2-CE2 3.47Å; Y45-Y49 VanDerWaalsContact CD2-CE2 3.47Å; Y45-Y49 AromaticContact CE1-CD2 3.81Å; Y45-Y49 HydrophobicContact CE1-CD2 3.81Å; Y45-Y49 AromaticContact CE1-CG 3.96Å; Y45-Y49 HydrophobicContact CE1-CG 3.96Å; Y45-Y49 AromaticContact CE2-CD2 3.43Å; Y45-Y49 HydrophobicContact CE2-CD2 3.43Å; Y45-Y49 VanDerWaalsContact CE2-CD2 3.43Å; Y45-Y49 AromaticContact CE2-CE2 3.32Å; Y45-Y49 HydrophobicContact CE2-CE2 3.32Å; Y45-Y49 HydrophobicContact CE2-CG 4.12Å; Y45-Y49 AromaticContact CE2-CZ 3.91Å; Y45-Y49 AromaticContact CG-CD2 3.74Å; Y45-Y49 HydrophobicContact CG-CD2 3.74Å; Y45-Y49 HydrophobicContact CG-CE2 4.18Å; Y45-Y49 AromaticContact CZ-CD2 3.58Å; Y45-Y49 AromaticContact CZ-CE2 3.9Å; Y45-Y49 AromaticContact CZ-CG 3.81Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.33Å; Y45-Y49 PolarHBondContact O-N 3.13Å; Y49-M52 HydrophobicContact CD1-CE 3.23Å; Y49-M52 HydrophobicContact CE1-CE 3.6Å; Y49-M52 HydrophobicContact CG-CE 4.09Å; Y49-M52 PolarHBondContact O-N 3.37Å; Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 VanDerWaalsContact O-CG 3.28Å; Y49-R53 WeakPolarHBondContact O-CG 3.25Å; Y49-R53 PolarHBondContact O-N 2.9Å; Y49-D91 HydrophobicContact CD1-CB 4.39Å; Y49-D91 HydrophobicContact CE1-CB 4.4Å |
| 50 | L | 91.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 63.9 Ų | 63.9 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | -177.6 | -61.8 | -177.7 | 0 | 0 | 0 | 112.8 | I27 K46 R54 P190 | I27-L50 HydrophobicContact CG2-CD2 4.26Å; K46-L50 HydrophobicContact CB-CD1 3.77Å; K46-L50 HydrophobicContact CB-CG 4.14Å; K46-L50 HydrophobicContact CD-CD1 4.25Å; K46-L50 HydrophobicContact CG-CD1 3.96Å; K46-L50 HydrophobicContact CG-CG 4.39Å; K46-L50 WeakPolarHBondContact O-CB 3.42Å; K46-L50 WeakPolarHBondContact O-CG 3.48Å; K46-L50 PolarHBondContact O-N 3.22Å; L50-R54 WeakPolarHBondContact O-CG 3.46Å; L50-R54 PolarHBondContact O-N 3.41Å; L50-R54 VanDerWaalsContact O-N 3.15Å; L50-P190 HydrophobicContact CD2-CB 3.39Å; L50-P190 WeakPolarHBondContact CD2-O 3.3Å |
| 51 | P | 91.8 | Very high | 92.8 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.6 | -21.2 | 34.6 | 0 | 0 | 0 | 111.9 | N47 R53 R54 Q55 | N47-P51 WeakPolarHBondContact O-CD 3.47Å; N47-P51 WeakPolarHBondContact O-CG 3.46Å; P51-R53 PolarHBondContact O-N 3.08Å; P51-R54 WeakPolarHBondContact O-CB 3.49Å; P51-R54 PolarHBondContact O-N 2.77Å; P51-R54 VanDerWaalsContact O-N 3.17Å; P51-Q55 PolarHBondContact O-N 3.03Å; P51-Q55 VanDerWaalsContact O-N 3.13Å |
| 52 | M | 90.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 179.1 | -177.6 | 178.8 | 60.1 | 0 | 0 | 111.8 | Y49 R54 Q55 N56 D91 F92 E93 | Y49-M52 HydrophobicContact CD1-CE 3.23Å; Y49-M52 HydrophobicContact CE1-CE 3.6Å; Y49-M52 HydrophobicContact CG-CE 4.09Å; Y49-M52 PolarHBondContact O-N 3.37Å; M52-R54 VanDerWaalsContact C-N 3.27Å; M52-R54 PolarHBondContact O-N 2.92Å; M52-Q55 PolarHBondContact O-N 3.34Å; M52-N56 WeakPolarHBondContact O-CA 3.5Å; M52-N56 WeakPolarHBondContact O-CB 3.29Å; M52-N56 PolarHBondContact O-N 3.26Å; M52-D91 HydrophobicContact CE-CB 3.76Å; M52-F92 WeakPolarHBondContact CG-O 3.48Å; M52-F92 VanDerWaalsContact SD-C 3.56Å; M52-E93 HydrophobicContact SD-CB 4.27Å; M52-E93 HydrophobicContact SD-CG 3.62Å |
| 53 | R | 91.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.038 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -28.8 | 177.4 | -74.6 | 176.2 | -177.3 | 156.9 | 6.2 | 113.4 | I27 Y45 Y49 P51 R57 D91 P190 | I27-R53 PolarHBondContact O-NH1 3.44Å; Y45-R53 PolarHBondContact OH-NH2 2.95Å; Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 VanDerWaalsContact O-CG 3.28Å; Y49-R53 WeakPolarHBondContact O-CG 3.25Å; Y49-R53 PolarHBondContact O-N 2.9Å; P51-R53 PolarHBondContact O-N 3.08Å; R53-R57 WeakPolarHBondContact O-CB 3.26Å; R53-D91 WeakPolarHBondContact CG-OD1 3.25Å; R53-D91 IonicContact CZ-OD2 2.62Å; R53-D91 IonicContact NE-OD1 2.8Å; R53-D91 PolarHBondContact NE-OD1 3.04Å; R53-D91 IonicContact NE-OD2 3.48Å; R53-D91 PolarHBondContact NE-OD2 3.34Å; R53-D91 IonicContact NH2-OD2 3.93Å; R53-D91 PolarHBondContact NH2-OD2 3.12Å; R53-P190 PolarHBondContact NH1-O 2.93Å |
| 54 | R | 88.2 | Confident | 92.8 | Very high | 151 Ų | 151 | 45.9 Ų | 45.9 | 57% | 0.57 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -71.1 | -37.1 | 176.4 | -72.3 | 171.1 | 179.3 | -168.4 | 2.4 | 112 | L50 P51 M52 T188 | L50-R54 WeakPolarHBondContact O-CG 3.46Å; L50-R54 PolarHBondContact O-N 3.41Å; L50-R54 VanDerWaalsContact O-N 3.15Å; P51-R54 WeakPolarHBondContact O-CB 3.49Å; P51-R54 PolarHBondContact O-N 2.77Å; P51-R54 VanDerWaalsContact O-N 3.17Å; M52-R54 VanDerWaalsContact C-N 3.27Å; M52-R54 PolarHBondContact O-N 2.92Å; R54-T188 VanDerWaalsContact CA-CG2 3.48Å; R54-T188 HydrophobicContact CB-CG2 3.68Å; R54-T188 HydrophobicContact CG-CG2 3.52Å |
| 55 | Q | 88.6 | Confident | 92.6 | Very high | 146 Ų | 146 | 47 Ų | 47 | 68% | 0.682 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -88.2 | -49.9 | -177.5 | -66.8 | 172.7 | -0.1 | 0 | 0 | 112 | P51 M52 R57 | P51-Q55 PolarHBondContact O-N 3.03Å; P51-Q55 VanDerWaalsContact O-N 3.13Å; M52-Q55 PolarHBondContact O-N 3.34Å; Q55-R57 PolarHBondContact O-N 2.9Å |
| 56 | N | 91.3 | Very high | 92.4 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -103.6 | 36 | -169.7 | -61 | -13.2 | 0 | 0 | 0 | 112.8 | M52 I58 F92 E93 I95 | M52-N56 WeakPolarHBondContact O-CA 3.5Å; M52-N56 WeakPolarHBondContact O-CB 3.29Å; M52-N56 PolarHBondContact O-N 3.26Å; N56-I58 PolarHBondContact O-N 3.02Å; N56-F92 WeakPolarHBondContact CB-O 3.38Å; N56-F92 PolarHBondContact ND2-O 3.47Å; N56-E93 PolarHBondContact ND2-O 2.89Å; N56-I95 HydrophobicContact CB-CD1 4.13Å; N56-I95 HydrophobicContact CB-CG1 3.94Å |
| 57 | R | 92 | Very high | 92.2 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 125 | 177 | -176.7 | 175 | 172.8 | 173.7 | 3.8 | 110.3 | R53 Q55 F59 M194 G195 L197 | R53-R57 WeakPolarHBondContact O-CB 3.26Å; Q55-R57 PolarHBondContact O-N 2.9Å; R57-F59 HydrophobicContact CB-CE2 4.34Å; R57-F59 HydrophobicContact CG-CD2 4.45Å; R57-F59 HydrophobicContact CG-CE2 4.05Å; R57-F59 HydrophobicContact CG-CZ 4.25Å; R57-M194 PolarHBondContact NH2-O 2.82Å; R57-G195 PolarHBondContact NE-O 2.87Å; R57-G195 PolarHBondContact NH2-O 2.91Å; R57-L197 PolarHBondContact NH2-O 3.01Å |
| 58 | I | 93.7 | Very high | 92 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -92.9 | 121.7 | 170.4 | -51.9 | -52.6 | 0 | 0 | 0 | 109.9 | N56 F92 I95 I101 L103 M172 G195 | N56-I58 PolarHBondContact O-N 3.02Å; I58-F92 HydrophobicContact CG1-CD2 4Å; I58-F92 HydrophobicContact CG1-CE2 4.24Å; I58-I95 HydrophobicContact CD1-CG1 4.44Å; I58-I95 HydrophobicContact CD1-CG2 4.36Å; I58-I101 HydrophobicContact CD1-CD1 3.81Å; I58-I101 HydrophobicContact CG2-CD1 4.41Å; I58-L103 HydrophobicContact CG2-CD2 4.31Å; I58-M172 HydrophobicContact CG2-CB 4.31Å; I58-G195 WeakPolarHBondContact O-CA 3.48Å |
| 59 | F | 94.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.2 | 173 | -69 | -94.1 | 0 | 0 | 0 | 109.8 | R57 M172 E173 A175 R178 I185 G195 T198 | R57-F59 HydrophobicContact CB-CE2 4.34Å; R57-F59 HydrophobicContact CG-CD2 4.45Å; R57-F59 HydrophobicContact CG-CE2 4.05Å; R57-F59 HydrophobicContact CG-CZ 4.25Å; F59-M172 WeakPolarHBondContact O-CA 3.26Å; F59-E173 HydrophobicContact CB-CG 3.8Å; F59-E173 PolarHBondContact N-O 3.37Å; F59-E173 PolarHBondContact O-N 2.87Å; F59-A175 HydrophobicContact CE2-CB 3.89Å; F59-R178 HydrophobicContact CD2-CB 4.41Å; F59-I185 HydrophobicContact CE1-CG2 4.34Å; F59-I185 HydrophobicContact CE2-CG2 4.06Å; F59-I185 HydrophobicContact CZ-CB 4.27Å; F59-I185 HydrophobicContact CZ-CG2 3.48Å; F59-I185 VanDerWaalsContact CZ-CG2 3.48Å; F59-G195 WeakPolarHBondContact CD1-O 3.47Å; F59-T198 HydrophobicContact CE1-CG2 4.17Å |
| 60 | V | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 110.8 | -177.1 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | A73 L85 L103 F113 M170 M172 G196 | V60-A73 HydrophobicContact CB-CB 4.01Å; V60-A73 HydrophobicContact CG1-CB 3.55Å; V60-A73 PolarHBondContact O-N 3.4Å; V60-L85 HydrophobicContact CB-CD2 4.42Å; V60-L85 HydrophobicContact CG2-CD1 4.3Å; V60-L85 HydrophobicContact CG2-CD2 4.28Å; V60-L103 HydrophobicContact CG2-CD1 3.58Å; V60-F113 HydrophobicContact CG1-CD1 3.67Å; V60-F113 HydrophobicContact CG1-CE1 3.91Å; V60-M170 HydrophobicContact CG1-CE 3.65Å; V60-M172 HydrophobicContact CB-SD 3.9Å; V60-M172 HydrophobicContact CG1-CE 3.76Å; V60-M172 HydrophobicContact CG1-SD 3.55Å; V60-M172 VanDerWaalsContact CG1-SD 3.55Å; V60-M172 HydrophobicContact CG2-CE 4.5Å; V60-M172 HydrophobicContact CG2-SD 3.63Å; V60-G196 PolarHBondContact O-N 3.12Å |
| 61 | S | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.2 | -179.8 | 59 | 0 | 0 | 0 | 0 | 111.2 | I71 I171 | S61-I71 WeakPolarHBondContact CA-O 3.23Å; S61-I171 PolarHBondContact N-O 3.2Å; S61-I171 PolarHBondContact O-N 3.11Å; S61-I171 WeakPolarHBondContact OG-CB 3.47Å; S61-I171 PolarHBondContact OG-O 3.27Å |
| 62 | W | 94.7 | Very high | 92.5 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 107.2 | 173.2 | -169.9 | 49.6 | 0 | 0 | 0 | 108.4 | D69 C70 I71 V115 F165 H168 E169 M170 | W62-D69 CarbonylContact O-C 3.43Å; W62-C70 HydrophobicContact CE3-CB 4.41Å; W62-C70 PolarHBondContact O-N 3.06Å; W62-I71 HydrophobicContact CB-CB 4.1Å; W62-I71 HydrophobicContact CE3-CB 4.24Å; W62-I71 HydrophobicContact CE3-CD1 3.5Å; W62-I71 VanDerWaalsContact CE3-CD1 3.5Å; W62-I71 HydrophobicContact CE3-CG1 3.82Å; W62-I71 HydrophobicContact CZ3-CD1 3.67Å; W62-I71 HydrophobicContact CZ3-CG1 4.33Å; W62-I71 PolarHBondContact N-O 3.14Å; W62-I71 PolarHBondContact O-N 2.9Å; W62-V115 HydrophobicContact CB-CG2 4.24Å; W62-F165 HydrophobicContact CH2-CB 3.85Å; W62-F165 AromaticContact CH2-CD1 3.2Å; W62-F165 HydrophobicContact CH2-CD1 3.2Å; W62-F165 HydrophobicContact CH2-CD2 4.49Å; W62-F165 AromaticContact CH2-CE1 3.6Å; W62-F165 HydrophobicContact CH2-CE1 3.6Å; W62-F165 AromaticContact CH2-CG 3.66Å; W62-F165 HydrophobicContact CH2-CG 3.66Å; W62-F165 HydrophobicContact CH2-CZ 4.42Å; W62-F165 HydrophobicContact CZ2-CB 4Å; W62-F165 HydrophobicContact CZ2-CD1 4.15Å; W62-F165 HydrophobicContact CZ2-CG 4.32Å; W62-F165 WeakPolarHBondContact CZ2-O 3.34Å; W62-F165 AromaticContact CZ3-CD1 3.83Å; W62-F165 HydrophobicContact CZ3-CD1 3.83Å; W62-F165 AromaticContact CZ3-CE1 3.83Å; W62-F165 HydrophobicContact CZ3-CE1 3.83Å; W62-H168 HydrophobicContact CD2-CB 3.83Å; W62-H168 AromaticContact CE2-CG 3.93Å; W62-H168 HydrophobicContact CG-CB 4.21Å; W62-H168 HydrophobicContact CH2-CB 4.48Å; W62-H168 HydrophobicContact CZ2-CB 3.66Å; W62-E169 WeakPolarHBondContact CA-O 3.21Å; W62-M170 HydrophobicContact CB-SD 3.95Å; W62-M170 HydrophobicContact CG-SD 3.92Å |
| 63 | M | 93.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.2 | -164.3 | -169.4 | -171.5 | 61.2 | 0 | 0 | 110.8 | V68 H168 E169 I171 R181 | M63-V68 CarbonylContact C-O 3.51Å; M63-V68 VanDerWaalsContact CA-O 3.31Å; M63-V68 WeakPolarHBondContact CA-O 3.46Å; M63-H168 CarbonylContact O-C 3.38Å; M63-H168 WeakPolarHBondContact O-CA 3.49Å; M63-H168 WeakPolarHBondContact O-CB 3.32Å; M63-E169 PolarHBondContact N-O 3.05Å; M63-E169 PolarHBondContact O-N 3Å; M63-I171 HydrophobicContact CB-CG1 3.93Å; M63-I171 HydrophobicContact CE-CD1 4.05Å; M63-I171 HydrophobicContact CE-CG1 4.14Å; M63-I171 HydrophobicContact SD-CG1 4.37Å; M63-R181 PolarHBondContact SD-NH2 3.34Å |
| 64 | N | 92.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | trans | -84.7 | 166.4 | 170.2 | 78.5 | 2 | 0 | 0 | 0 | 111.7 | N66 G67 V68 I163 H168 | N64-N66 PolarHBondContact O-N 3.16Å; N64-N66 WeakPolarHBondContact OD1-CA 3.34Å; N64-N66 WeakPolarHBondContact OD1-CB 3.48Å; N64-N66 PolarHBondContact OD1-N 3.49Å; N64-G67 PolarHBondContact O-N 2.68Å; N64-G67 PolarHBondContact OD1-N 3.12Å; N64-G67 VanDerWaalsContact OD1-N 3.12Å; N64-V68 PolarHBondContact N-O 3.11Å; N64-V68 WeakPolarHBondContact OD1-CB 3.42Å; N64-V68 PolarHBondContact OD1-N 2.74Å; N64-V68 PolarHBondContact OD1-O 3.02Å; N64-I163 HydrophobicContact CB-CD1 4.19Å; N64-H168 WeakPolarHBondContact CB-NE2 3.02Å | ||
| 65 | P | 91.9 | Very high | 93.1 | Very high | 83 Ų | 83 | 27.6 Ų | 27.6 | 54% | 0.539 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.3 | 177.6 | -27.1 | 36.1 | 0 | 0 | 0 | 115.3 | G67 K167 | P65-G67 VanDerWaalsContact C-N 3.31Å; P65-K167 WeakPolarHBondContact CD-O 3.21Å; P65-K167 HydrophobicContact CG-CB 4.07Å; P65-K167 VanDerWaalsContact CG-O 3.3Å; P65-K167 WeakPolarHBondContact CG-O 3.27Å |
| 66 | N | 88.5 | Confident | 93.3 | Very high | 112 Ų | 112 | 25.7 Ų | 25.7 | 60% | 0.599 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.1 | 179 | -59.9 | -14.3 | 0 | 0 | 0 | 112.5 | N64 | N64-N66 PolarHBondContact O-N 3.16Å; N64-N66 WeakPolarHBondContact OD1-CA 3.34Å; N64-N66 WeakPolarHBondContact OD1-CB 3.48Å; N64-N66 PolarHBondContact OD1-N 3.49Å |
| 67 | G | 89.3 | Confident | 93.4 | Very high | 25 Ų | 25 | 25.7 Ų | 25.7 | 26% | 0.258 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 82.3 | 14.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | N64 P65 K183 | N64-G67 PolarHBondContact O-N 2.68Å; N64-G67 PolarHBondContact OD1-N 3.12Å; N64-G67 VanDerWaalsContact OD1-N 3.12Å; P65-G67 VanDerWaalsContact C-N 3.31Å; G67-K183 PolarHBondContact O-NZ 3.13Å |
| 68 | V | 91.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | trans | -89.7 | 128.8 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | M63 N64 C70 L218 | M63-V68 CarbonylContact C-O 3.51Å; M63-V68 VanDerWaalsContact CA-O 3.31Å; M63-V68 WeakPolarHBondContact CA-O 3.46Å; N64-V68 PolarHBondContact N-O 3.11Å; N64-V68 WeakPolarHBondContact OD1-CB 3.42Å; N64-V68 PolarHBondContact OD1-N 2.74Å; N64-V68 PolarHBondContact OD1-O 3.02Å; V68-C70 VanDerWaalsContact C-N 3.28Å; V68-C70 PolarHBondContact O-N 3.24Å; V68-L218 HydrophobicContact CG2-CD1 3.99Å; V68-L218 HydrophobicContact CG2-CD2 3.81Å; V68-L218 HydrophobicContact CG2-CG 4.02Å | ||
| 69 | D | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 77.9 | 174.5 | -61.5 | -11.9 | 0 | 0 | 0 | 108.4 | W62 I71 L72 R178 R181 R209 S213 | W62-D69 CarbonylContact O-C 3.43Å; D69-I71 PolarHBondContact O-N 2.83Å; D69-I71 VanDerWaalsContact O-N 3.07Å; D69-L72 HydrophobicContact CB-CD2 3.79Å; D69-L72 HydrophobicContact CB-CG 4.39Å; D69-R178 IonicContact OD2-CZ 3.77Å; D69-R178 IonicContact OD2-NH1 2.81Å; D69-R178 PolarHBondContact OD2-NH1 3.05Å; D69-R178 IonicContact OD2-NH2 2.58Å; D69-R178 PolarHBondContact OD2-NH2 2.97Å; D69-R181 IonicContact OD1-NH2 3.34Å; D69-R209 PolarHBondContact O-NH1 2.78Å; D69-R209 PolarHBondContact O-NH2 3.36Å; D69-S213 WeakPolarHBondContact CB-O 3.46Å; D69-S213 PolarHBondContact N-O 3.47Å; D69-S213 WeakPolarHBondContact OD2-CB 3.47Å |
| 70 | C | 93.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | -38.1 | -176.2 | -75.2 | 0 | 0 | 0 | 0 | 113.9 | W62 V68 H168 G206 | W62-C70 HydrophobicContact CE3-CB 4.41Å; W62-C70 PolarHBondContact O-N 3.06Å; V68-C70 VanDerWaalsContact C-N 3.28Å; V68-C70 PolarHBondContact O-N 3.24Å; C70-H168 PolarHBondContact SG-NE2 3.37Å; C70-H168 VanDerWaalsContact SG-NE2 3.44Å; C70-G206 PolarHBondContact O-N 3.05Å |
| 71 | I | 94.2 | Very high | 93.2 | Very high | 57 Ų | 57 | 27.5 Ų | 27.5 | 29% | 0.292 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.5 | 172.9 | -60.7 | 174.7 | 0 | 0 | 0 | 109.3 | S61 W62 D69 V115 | S61-I71 WeakPolarHBondContact CA-O 3.23Å; W62-I71 HydrophobicContact CB-CB 4.1Å; W62-I71 HydrophobicContact CE3-CB 4.24Å; W62-I71 HydrophobicContact CE3-CD1 3.5Å; W62-I71 VanDerWaalsContact CE3-CD1 3.5Å; W62-I71 HydrophobicContact CE3-CG1 3.82Å; W62-I71 HydrophobicContact CZ3-CD1 3.67Å; W62-I71 HydrophobicContact CZ3-CG1 4.33Å; W62-I71 PolarHBondContact N-O 3.14Å; W62-I71 PolarHBondContact O-N 2.9Å; D69-I71 PolarHBondContact O-N 2.83Å; D69-I71 VanDerWaalsContact O-N 3.07Å; I71-V115 HydrophobicContact CD1-CG1 3.8Å; I71-V115 HydrophobicContact CG2-CG1 4.41Å; I71-V115 HydrophobicContact CG2-CG2 4.43Å |
| 72 | L | 95.1 | Very high | 93 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 108.7 | 165.7 | -66.3 | 172.2 | 0 | 0 | 0 | 107 | D69 L197 | D69-L72 HydrophobicContact CB-CD2 3.79Å; D69-L72 HydrophobicContact CB-CG 4.39Å; L72-L197 HydrophobicContact CB-CD2 4.34Å; L72-L197 WeakPolarHBondContact O-CD2 3.46Å |
| 73 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -74.6 | 135.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V60 S77 L85 F113 V115 G195 G196 | V60-A73 HydrophobicContact CB-CB 4.01Å; V60-A73 HydrophobicContact CG1-CB 3.55Å; V60-A73 PolarHBondContact O-N 3.4Å; A73-S77 WeakPolarHBondContact CA-OG 3.38Å; A73-L85 HydrophobicContact CB-CD2 4.18Å; A73-F113 HydrophobicContact CB-CE1 3.64Å; A73-F113 HydrophobicContact CB-CZ 4.1Å; A73-V115 HydrophobicContact CB-CG2 4.16Å; A73-G195 CarbonylContact O-C 3.55Å; A73-G195 WeakPolarHBondContact O-CA 3.06Å; A73-G196 PolarHBondContact O-N 3.5Å | ||
| 74 | G | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | trans | -121.9 | -172.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q76 S77 L85 A193 | G74-Q76 PolarHBondContact O-N 3.45Å; G74-Q76 VanDerWaalsContact O-N 3.08Å; G74-S77 PolarHBondContact N-OG 2.83Å; G74-S77 VanDerWaalsContact O-CB 3.3Å; G74-S77 WeakPolarHBondContact O-CB 3.36Å; G74-S77 PolarHBondContact O-N 3.17Å; G74-S77 PolarHBondContact O-OG 3.34Å; G74-L85 WeakPolarHBondContact O-CB 3.35Å; G74-L85 WeakPolarHBondContact O-CD2 3.5Å; G74-A193 CarbonylContact C-O 3.53Å | ||
| 75 | P | 94.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.7 | -169.2 | 22.5 | -32.9 | 0 | 0 | 0 | 112.7 | R84 L85 I86 A193 M194 | P75-R84 WeakPolarHBondContact O-CB 3.4Å; P75-L85 PolarHBondContact O-N 2.83Å; P75-I86 HydrophobicContact CB-CB 4.21Å; P75-I86 HydrophobicContact CB-CD1 4.34Å; P75-I86 WeakPolarHBondContact O-CB 3.22Å; P75-I86 PolarHBondContact O-N 2.97Å; P75-I86 VanDerWaalsContact O-N 3.1Å; P75-A193 WeakPolarHBondContact CA-O 3.33Å; P75-A193 HydrophobicContact CB-CB 4.31Å; P75-A193 WeakPolarHBondContact CD-O 3.47Å; P75-A193 VanDerWaalsContact N-O 3.11Å; P75-M194 HydrophobicContact CG-SD 4.26Å |
| 76 | Q | 93.1 | Very high | 93.2 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 50% | 0.495 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3.1 | -178.4 | -61.5 | -58.8 | -43.6 | 0 | 0 | 114 | G74 E78 R84 | G74-Q76 PolarHBondContact O-N 3.45Å; G74-Q76 VanDerWaalsContact O-N 3.08Å; Q76-E78 PolarHBondContact O-N 2.83Å; Q76-R84 PolarHBondContact O-NH1 2.92Å |
| 77 | S | 93.8 | Very high | 93.5 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 132 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | A73 G74 R84 L85 | A73-S77 WeakPolarHBondContact CA-OG 3.38Å; G74-S77 PolarHBondContact N-OG 2.83Å; G74-S77 VanDerWaalsContact O-CB 3.3Å; G74-S77 WeakPolarHBondContact O-CB 3.36Å; G74-S77 PolarHBondContact O-N 3.17Å; G74-S77 PolarHBondContact O-OG 3.34Å; S77-R84 CarbonylContact O-C 3.46Å; S77-R84 VanDerWaalsContact O-CA 3.31Å; S77-R84 WeakPolarHBondContact O-CA 3.41Å; S77-L85 PolarHBondContact O-N 3.49Å |
| 78 | E | 93.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 134.4 | -177.7 | -167.8 | 178.6 | 103.7 | 0 | 0 | 111.4 | Q76 M116 K118 | Q76-E78 PolarHBondContact O-N 2.83Å; E78-M116 HydrophobicContact CB-CB 4.45Å; E78-M116 HydrophobicContact CG-CB 4.47Å; E78-M116 WeakPolarHBondContact O-CB 3.32Å; E78-M116 PolarHBondContact O-N 2.79Å; E78-K118 VanDerWaalsContact CD-CE 3.47Å; E78-K118 WeakPolarHBondContact OE1-CE 3.39Å; E78-K118 IonicContact OE1-NZ 3.06Å; E78-K118 PolarHBondContact OE1-NZ 3.05Å; E78-K118 IonicContact OE2-NZ 2.97Å; E78-K118 PolarHBondContact OE2-NZ 2.94Å |
| 79 | C | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -84.4 | 161.2 | 172.6 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | C81 Q82 H83 H88 F113 H114 | C79-C81 PolarHBondContact O-N 3.03Å; C79-C81 VanDerWaalsContact SG-SG 3.63Å; C79-Q82 WeakPolarHBondContact O-CA 3.25Å; C79-Q82 PolarHBondContact O-N 3.38Å; C79-H83 VanDerWaalsContact CB-O 3.22Å; C79-H83 WeakPolarHBondContact CB-O 3.32Å; C79-H83 PolarHBondContact N-O 3.19Å; C79-H88 VanDerWaalsContact CB-CE1 3.47Å; C79-H88 WeakPolarHBondContact CB-CE1 3.37Å; C79-H88 PolarHBondContact SG-NE2 2.84Å; C79-H88 VanDerWaalsContact SG-NE2 3.41Å; C79-F113 HydrophobicContact CB-CD2 3.57Å; C79-F113 HydrophobicContact CB-CE2 3.58Å; C79-F113 HydrophobicContact CB-CG 4.47Å; C79-F113 HydrophobicContact CB-CZ 4.48Å; C79-H114 CarbonylContact C-O 3.52Å; C79-H114 WeakPolarHBondContact CA-O 3.34Å; C79-H114 PolarHBondContact SG-N 3.44Å |
| 80 | F | 91.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 6% | 0.057 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -26.2 | 169.7 | -161.4 | -100.3 | 0 | 0 | 0 | 113.5 | Q82 H114 M116 A132 H135 Y141 F153 | F80-Q82 PolarHBondContact O-N 3.05Å; F80-H114 HydrophobicContact CB-CB 4.34Å; F80-H114 PolarHBondContact N-O 3.47Å; F80-M116 HydrophobicContact CD2-SD 3.78Å; F80-M116 HydrophobicContact CE2-SD 4.26Å; F80-A132 HydrophobicContact CD2-CB 4.45Å; F80-A132 HydrophobicContact CE2-CB 3.66Å; F80-A132 HydrophobicContact CZ-CB 4.14Å; F80-A132 VanDerWaalsContact CZ-O 3.26Å; F80-A132 WeakPolarHBondContact CZ-O 3.17Å; F80-H135 HydrophobicContact CE1-CB 3.99Å; F80-H135 HydrophobicContact CZ-CB 3.89Å; F80-Y141 AromaticContact CD1-CD1 3.73Å; F80-Y141 HydrophobicContact CD1-CD1 3.73Å; F80-Y141 HydrophobicContact CD1-CE1 4.1Å; F80-Y141 AromaticContact CE1-CD1 3.66Å; F80-Y141 HydrophobicContact CE1-CD1 3.66Å; F80-Y141 HydrophobicContact CE1-CE1 4.46Å; F80-Y141 HydrophobicContact CE1-CG 4.17Å; F80-Y141 HydrophobicContact CZ-CD1 4.42Å; F80-F153 HydrophobicContact CE2-CB 4.17Å; F80-F153 AromaticContact CE2-CD1 3.62Å; F80-F153 HydrophobicContact CE2-CD1 3.62Å; F80-F153 HydrophobicContact CE2-CD2 4.06Å; F80-F153 HydrophobicContact CE2-CE1 4.02Å; F80-F153 HydrophobicContact CE2-CE2 4.44Å; F80-F153 AromaticContact CE2-CG 3.65Å; F80-F153 HydrophobicContact CE2-CG 3.65Å; F80-F153 HydrophobicContact CE2-CZ 4.42Å; F80-F153 HydrophobicContact CZ-CB 3.74Å; F80-F153 HydrophobicContact CZ-CD1 4.1Å; F80-F153 HydrophobicContact CZ-CD2 4.03Å; F80-F153 AromaticContact CZ-CG 3.66Å; F80-F153 HydrophobicContact CZ-CG 3.66Å |
| 81 | C | 91.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.054 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 8.7 | 174.1 | 74.7 | 0 | 0 | 0 | 0 | 115 | C79 H83 H88 C110 V137 | C79-C81 PolarHBondContact O-N 3.03Å; C79-C81 VanDerWaalsContact SG-SG 3.63Å; C81-H83 PolarHBondContact O-N 2.69Å; C81-H83 VanDerWaalsContact O-N 3.13Å; C81-H83 PolarHBondContact O-ND1 3.3Å; C81-H83 VanDerWaalsContact O-ND1 3.16Å; C81-H88 VanDerWaalsContact SG-CE1 3.52Å; C81-H88 PolarHBondContact SG-NE2 3.49Å; C81-H88 VanDerWaalsContact SG-NE2 3.45Å; C81-C110 HydrophobicContact CB-CB 3.89Å; C81-V137 HydrophobicContact CB-CB 4.35Å; C81-V137 HydrophobicContact CB-CG1 3.51Å; C81-V137 HydrophobicContact CB-CG2 3.8Å |
| 82 | Q | 91.2 | Very high | 93.3 | Very high | 116 Ų | 116 | 33.7 Ų | 33.7 | 54% | 0.542 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 65.3 | -0.3 | -175.3 | -55.1 | 179.2 | -38.5 | 0 | 0 | 116.1 | C79 F80 T133 | C79-Q82 WeakPolarHBondContact O-CA 3.25Å; C79-Q82 PolarHBondContact O-N 3.38Å; F80-Q82 PolarHBondContact O-N 3.05Å; Q82-T133 HydrophobicContact CG-CG2 4.07Å |
| 83 | H | 93.6 | Very high | 92.9 | Very high | 48 Ų | 48 | 39.6 Ų | 39.6 | 22% | 0.222 | 19% | 0.187 | C | C | . | . | trans | -90.6 | 159.3 | 173.2 | -63.2 | 104.3 | 0 | 0 | 0 | 111.3 | C79 C81 Q87 | C79-H83 VanDerWaalsContact CB-O 3.22Å; C79-H83 WeakPolarHBondContact CB-O 3.32Å; C79-H83 PolarHBondContact N-O 3.19Å; C81-H83 PolarHBondContact O-N 2.69Å; C81-H83 VanDerWaalsContact O-N 3.13Å; C81-H83 PolarHBondContact O-ND1 3.3Å; C81-H83 VanDerWaalsContact O-ND1 3.16Å; H83-Q87 VanDerWaalsContact CA-OE1 3.28Å; H83-Q87 HydrophobicContact CB-CB 4.15Å; H83-Q87 PolarHBondContact CD2-OE1 2.74Å | ||
| 84 | R | 94.7 | Very high | 92.6 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -86.5 | 161 | -178.9 | -63.4 | 177.5 | -174.1 | -89.4 | 8.6 | 111.6 | P75 Q76 S77 I86 Q87 H88 | P75-R84 WeakPolarHBondContact O-CB 3.4Å; Q76-R84 PolarHBondContact O-NH1 2.92Å; S77-R84 CarbonylContact O-C 3.46Å; S77-R84 VanDerWaalsContact O-CA 3.31Å; S77-R84 WeakPolarHBondContact O-CA 3.41Å; R84-I86 HydrophobicContact CB-CG2 3.96Å; R84-I86 PolarHBondContact O-N 3.44Å; R84-Q87 WeakPolarHBondContact O-CB 3.14Å; R84-Q87 PolarHBondContact O-N 2.99Å; R84-H88 PolarHBondContact O-ND1 3.25Å |
| 85 | L | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -57.9 | -33.2 | 177.1 | -173.7 | 61.6 | 0 | 0 | 0 | 112.2 | V60 A73 G74 P75 S77 Q87 H88 T90 L103 F113 A193 | V60-L85 HydrophobicContact CB-CD2 4.42Å; V60-L85 HydrophobicContact CG2-CD1 4.3Å; V60-L85 HydrophobicContact CG2-CD2 4.28Å; A73-L85 HydrophobicContact CB-CD2 4.18Å; G74-L85 WeakPolarHBondContact O-CB 3.35Å; G74-L85 WeakPolarHBondContact O-CD2 3.5Å; P75-L85 PolarHBondContact O-N 2.83Å; S77-L85 PolarHBondContact O-N 3.49Å; L85-Q87 PolarHBondContact O-N 3.46Å; L85-H88 HydrophobicContact CD1-CB 4.49Å; L85-H88 WeakPolarHBondContact O-CB 3.42Å; L85-H88 PolarHBondContact O-N 2.92Å; L85-T90 HydrophobicContact CD1-CG2 3.97Å; L85-T90 HydrophobicContact CG-CG2 4.11Å; L85-L103 HydrophobicContact CD1-CD1 4.34Å; L85-F113 HydrophobicContact CB-CD2 4.17Å; L85-F113 HydrophobicContact CB-CE2 3.7Å; L85-F113 HydrophobicContact CB-CZ 4.07Å; L85-F113 HydrophobicContact CD1-CB 4.08Å; L85-F113 HydrophobicContact CD1-CD1 3.94Å; L85-F113 HydrophobicContact CD1-CD2 3.5Å; L85-F113 HydrophobicContact CD1-CE1 4.24Å; L85-F113 HydrophobicContact CD1-CE2 3.84Å; L85-F113 HydrophobicContact CD1-CG 3.56Å; L85-F113 HydrophobicContact CD1-CZ 4.2Å; L85-F113 HydrophobicContact CG-CD2 4.44Å; L85-F113 HydrophobicContact CG-CE2 4.34Å; L85-A193 WeakPolarHBondContact CD2-O 3.47Å; L85-A193 HydrophobicContact CG-CB 4.14Å |
| 86 | I | 94.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -59.7 | -24.3 | 175 | -157.6 | 168.4 | 0 | 0 | 0 | 113.7 | P75 R84 H88 Q192 A193 | P75-I86 HydrophobicContact CB-CB 4.21Å; P75-I86 HydrophobicContact CB-CD1 4.34Å; P75-I86 WeakPolarHBondContact O-CB 3.22Å; P75-I86 PolarHBondContact O-N 2.97Å; P75-I86 VanDerWaalsContact O-N 3.1Å; R84-I86 HydrophobicContact CB-CG2 3.96Å; R84-I86 PolarHBondContact O-N 3.44Å; I86-H88 VanDerWaalsContact C-N 3.34Å; I86-Q192 HydrophobicContact CG1-CB 4.39Å; I86-Q192 HydrophobicContact CG1-CG 4.21Å; I86-A193 HydrophobicContact CB-CB 4.19Å; I86-A193 HydrophobicContact CG1-CB 4.35Å |
| 87 | Q | 94 | Very high | 91.3 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -90.1 | 0.5 | 177.2 | -65.5 | 171.8 | -43.5 | 0 | 0 | 113.1 | E30 H83 R84 L85 K106 | E30-Q87 WeakPolarHBondContact OE2-CG 3.17Å; E30-Q87 PolarHBondContact OE2-NE2 3.4Å; H83-Q87 VanDerWaalsContact CA-OE1 3.28Å; H83-Q87 HydrophobicContact CB-CB 4.15Å; H83-Q87 PolarHBondContact CD2-OE1 2.74Å; R84-Q87 WeakPolarHBondContact O-CB 3.14Å; R84-Q87 PolarHBondContact O-N 2.99Å; L85-Q87 PolarHBondContact O-N 3.46Å; Q87-K106 WeakPolarHBondContact O-CG 3.26Å; Q87-K106 PolarHBondContact O-N 3.38Å |
| 88 | H | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -102.6 | 154.5 | 174.6 | -64.7 | 66.5 | 0 | 0 | 0 | 110.2 | C79 C81 R84 L85 I86 T90 L103 P104 F113 | C79-H88 VanDerWaalsContact CB-CE1 3.47Å; C79-H88 WeakPolarHBondContact CB-CE1 3.37Å; C79-H88 PolarHBondContact SG-NE2 2.84Å; C79-H88 VanDerWaalsContact SG-NE2 3.41Å; C81-H88 VanDerWaalsContact SG-CE1 3.52Å; C81-H88 PolarHBondContact SG-NE2 3.49Å; C81-H88 VanDerWaalsContact SG-NE2 3.45Å; R84-H88 PolarHBondContact O-ND1 3.25Å; L85-H88 HydrophobicContact CD1-CB 4.49Å; L85-H88 WeakPolarHBondContact O-CB 3.42Å; L85-H88 PolarHBondContact O-N 2.92Å; I86-H88 VanDerWaalsContact C-N 3.34Å; H88-T90 PolarHBondContact O-N 3.37Å; H88-L103 PolarHBondContact CD2-O 3.02Å; H88-L103 VanDerWaalsContact CD2-O 3.24Å; H88-P104 CarbonylContact C-O 3.54Å; H88-P104 VanDerWaalsContact CA-O 3.3Å; H88-P104 WeakPolarHBondContact CA-O 3.28Å; H88-F113 AromaticContact CE1-CD2 3.87Å; H88-F113 AromaticContact ND1-CD2 3.86Å |
| 89 | K | 93.2 | Very high | 90.2 | Very high | 102 Ų | 102 | 58.7 Ų | 58.7 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | trans | -73.7 | 99.6 | 176 | -175.3 | -179.8 | 179.6 | 179.4 | 0 | 109.5 | D91 F92 L103 P104 | K89-D91 WeakPolarHBondContact CE-O 3.41Å; K89-F92 HydrophobicContact CD-CD1 4.49Å; K89-F92 HydrophobicContact CD-CE1 3.88Å; K89-F92 HydrophobicContact CD-CZ 4.22Å; K89-F92 HydrophobicContact CG-CE1 4.17Å; K89-F92 HydrophobicContact CG-CZ 4.05Å; K89-F92 WeakPolarHBondContact O-CE2 3.4Å; K89-F92 WeakPolarHBondContact O-CZ 3.3Å; K89-L103 VanDerWaalsContact O-CD2 3.29Å; K89-L103 WeakPolarHBondContact O-CD2 3.43Å; K89-P104 HydrophobicContact CB-CG 4.05Å; K89-P104 HydrophobicContact CD-CG 4.49Å; K89-P104 PolarHBondContact N-O 3.4Å | ||
| 90 | T | 91.8 | Very high | 89.7 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | trans | -100.3 | -18.9 | 172.3 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | L85 H88 F92 A193 | L85-T90 HydrophobicContact CD1-CG2 3.97Å; L85-T90 HydrophobicContact CG-CG2 4.11Å; H88-T90 PolarHBondContact O-N 3.37Å; T90-F92 WeakPolarHBondContact O-CD2 3.42Å; T90-A193 HydrophobicContact CG2-CB 3.97Å | ||
| 91 | D | 91 | Very high | 89.6 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 14% | 0.139 | 32% | 0.318 | C | S | . | . | trans | -94.7 | 118.2 | -174.4 | -67 | -19.9 | 0 | 0 | 0 | 109.6 | Y49 M52 R53 K89 | Y49-D91 HydrophobicContact CD1-CB 4.39Å; Y49-D91 HydrophobicContact CE1-CB 4.4Å; M52-D91 HydrophobicContact CE-CB 3.76Å; R53-D91 WeakPolarHBondContact CG-OD1 3.25Å; R53-D91 IonicContact CZ-OD2 2.62Å; R53-D91 IonicContact NE-OD1 2.8Å; R53-D91 PolarHBondContact NE-OD1 3.04Å; R53-D91 IonicContact NE-OD2 3.48Å; R53-D91 PolarHBondContact NE-OD2 3.34Å; R53-D91 IonicContact NH2-OD2 3.93Å; R53-D91 PolarHBondContact NH2-OD2 3.12Å; K89-D91 WeakPolarHBondContact CE-O 3.41Å | ||
| 92 | F | 89.2 | Confident | 89.6 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | trans | -127.8 | 128.9 | 179.7 | -63.1 | -88.2 | 0 | 0 | 0 | 110.5 | M52 N56 I58 K89 T90 P96 I101 Q102 L103 | M52-F92 WeakPolarHBondContact CG-O 3.48Å; M52-F92 VanDerWaalsContact SD-C 3.56Å; N56-F92 WeakPolarHBondContact CB-O 3.38Å; N56-F92 PolarHBondContact ND2-O 3.47Å; I58-F92 HydrophobicContact CG1-CD2 4Å; I58-F92 HydrophobicContact CG1-CE2 4.24Å; K89-F92 HydrophobicContact CD-CD1 4.49Å; K89-F92 HydrophobicContact CD-CE1 3.88Å; K89-F92 HydrophobicContact CD-CZ 4.22Å; K89-F92 HydrophobicContact CG-CE1 4.17Å; K89-F92 HydrophobicContact CG-CZ 4.05Å; K89-F92 WeakPolarHBondContact O-CE2 3.4Å; K89-F92 WeakPolarHBondContact O-CZ 3.3Å; T90-F92 WeakPolarHBondContact O-CD2 3.42Å; F92-P96 HydrophobicContact CD1-CG 3.98Å; F92-P96 HydrophobicContact CE1-CG 4.02Å; F92-I101 HydrophobicContact CE2-CG2 4.24Å; F92-I101 HydrophobicContact CZ-CG2 4.37Å; F92-Q102 WeakPolarHBondContact CZ-O 3.33Å; F92-L103 HydrophobicContact CE2-CD2 3.63Å; F92-L103 HydrophobicContact CZ-CD2 3.98Å | ||
| 93 | E | 87.4 | Confident | 89.8 | Confident | 132 Ų | 132 | 60 Ų | 60 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -69.1 | -39.5 | 173.3 | -67.8 | 179 | -179.3 | 0 | 0 | 110.9 | K48 M52 N56 | K48-E93 WeakPolarHBondContact CE-OE1 3.38Å; K48-E93 IonicContact NZ-OE1 2.87Å; K48-E93 PolarHBondContact NZ-OE1 2.83Å; M52-E93 HydrophobicContact SD-CB 4.27Å; M52-E93 HydrophobicContact SD-CG 3.62Å; N56-E93 PolarHBondContact ND2-O 2.89Å |
| 94 | I | 87.1 | Confident | 89.8 | Confident | 149 Ų | 149 | 60 Ų | 60 | 76% | 0.764 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -124.9 | 124.1 | 171.6 | -58.2 | 172.4 | 0 | 0 | 0 | 107 | ||
| 95 | I | 86.1 | Confident | 89.8 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | trans | -64.4 | 127.6 | 178.2 | -62.9 | 163 | 0 | 0 | 0 | 108.6 | N56 I58 T97 I101 T174 | N56-I95 HydrophobicContact CB-CD1 4.13Å; N56-I95 HydrophobicContact CB-CG1 3.94Å; I58-I95 HydrophobicContact CD1-CG1 4.44Å; I58-I95 HydrophobicContact CD1-CG2 4.36Å; I95-T97 PolarHBondContact O-N 2.78Å; I95-I101 HydrophobicContact CG2-CD1 4.05Å; I95-T174 HydrophobicContact CD1-CG2 3.86Å; I95-T174 HydrophobicContact CG2-CG2 3.78Å | ||
| 96 | P | 85.8 | Confident | 89.6 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | trans | -58.6 | 134.2 | 175.3 | -23.9 | 34.5 | 0 | 0 | 0 | 111.6 | F92 Q98 I101 | F92-P96 HydrophobicContact CD1-CG 3.98Å; F92-P96 HydrophobicContact CE1-CG 4.02Å; P96-Q98 VanDerWaalsContact C-N 3.29Å; P96-I101 HydrophobicContact CG-CG2 4.2Å | ||
| 97 | T | 82.4 | Confident | 89.4 | Confident | 147 Ų | 147 | 64.6 Ų | 64.6 | 90% | 0.902 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -76.7 | -18.1 | 175.4 | 52 | 0 | 0 | 0 | 0 | 113 | I95 C99 | I95-T97 PolarHBondContact O-N 2.78Å; T97-C99 PolarHBondContact O-N 3.39Å |
| 98 | Q | 83.2 | Confident | 89.3 | Confident | 148 Ų | 148 | 65.3 Ų | 65.3 | 69% | 0.692 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -82 | 113.2 | 179.4 | -173 | 177.3 | 11.4 | 0 | 0 | 110.4 | P96 P100 | P96-Q98 VanDerWaalsContact C-N 3.29Å; Q98-P100 CarbonylContact O-C 3.47Å |
| 99 | C | 81.3 | Confident | 89.1 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -91.3 | 142.6 | 170.8 | -66 | 0 | 0 | 0 | 0 | 111 | T97 | T97-C99 PolarHBondContact O-N 3.39Š|
| 100 | P | 83.8 | Confident | 89 | Confident | 77 Ų | 77 | 72 Ų | 72 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | S | Bend | cis | -70.9 | 143.8 | -4.5 | 29.8 | -34.5 | 0 | 0 | 0 | 112.5 | Q98 Q102 | Q98-P100 CarbonylContact O-C 3.47Å; P100-Q102 PolarHBondContact O-N 3.14Å |
| 101 | I | 90.5 | Very high | 89 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 118.6 | 178 | -57.6 | 174 | 0 | 0 | 0 | 108.7 | I58 F92 I95 P96 L103 M172 T174 | I58-I101 HydrophobicContact CD1-CD1 3.81Å; I58-I101 HydrophobicContact CG2-CD1 4.41Å; F92-I101 HydrophobicContact CE2-CG2 4.24Å; F92-I101 HydrophobicContact CZ-CG2 4.37Å; I95-I101 HydrophobicContact CG2-CD1 4.05Å; P96-I101 HydrophobicContact CG-CG2 4.2Å; I101-L103 HydrophobicContact CG2-CD2 4.09Å; I101-L103 PolarHBondContact O-N 2.7Å; I101-M172 HydrophobicContact CB-CB 3.93Å; I101-M172 WeakPolarHBondContact O-CG 3.37Å; I101-T174 HydrophobicContact CD1-CG2 4.45Å |
| 102 | Q | 91.5 | Very high | 89 | Confident | 86 Ų | 86 | 76.1 Ų | 76.1 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 124.1 | -178.7 | -57.4 | -62.8 | 3 | 0 | 0 | 110.5 | F92 P100 P104 S112 | F92-Q102 WeakPolarHBondContact CZ-O 3.33Å; P100-Q102 PolarHBondContact O-N 3.14Å; Q102-P104 VanDerWaalsContact C-CD 3.45Å; Q102-P104 WeakPolarHBondContact O-CD 3.36Å; Q102-S112 PolarHBondContact OE1-OG 3.01Å |
| 103 | L | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -109.5 | 80.6 | 176.5 | -53.8 | -176.4 | 0 | 0 | 0 | 109.2 | I58 V60 L85 H88 K89 F92 I101 L111 S112 F113 M172 | I58-L103 HydrophobicContact CG2-CD2 4.31Å; V60-L103 HydrophobicContact CG2-CD1 3.58Å; L85-L103 HydrophobicContact CD1-CD1 4.34Å; H88-L103 PolarHBondContact CD2-O 3.02Å; H88-L103 VanDerWaalsContact CD2-O 3.24Å; K89-L103 VanDerWaalsContact O-CD2 3.29Å; K89-L103 WeakPolarHBondContact O-CD2 3.43Å; F92-L103 HydrophobicContact CE2-CD2 3.63Å; F92-L103 HydrophobicContact CZ-CD2 3.98Å; I101-L103 HydrophobicContact CG2-CD2 4.09Å; I101-L103 PolarHBondContact O-N 2.7Å; L103-L111 CarbonylContact C-O 3.54Å; L103-S112 PolarHBondContact N-OG 3.06Å; L103-S112 CarbonylContact O-C 3.51Å; L103-S112 VanDerWaalsContact O-CA 3.3Å; L103-S112 WeakPolarHBondContact O-CA 3.48Å; L103-F113 HydrophobicContact CB-CB 4Å; L103-F113 HydrophobicContact CD1-CB 4.14Å; L103-F113 PolarHBondContact O-N 3.25Å; L103-M172 HydrophobicContact CD1-CE 3.74Å; L103-M172 HydrophobicContact CD1-CG 4.41Å; L103-M172 HydrophobicContact CD1-SD 3.66Å; L103-M172 HydrophobicContact CG-CE 4.34Å; L103-M172 HydrophobicContact CG-SD 4.42Å | ||
| 104 | P | 94 | Very high | 89.5 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | trans | -69.3 | 150.2 | -176.1 | 27.6 | -36.1 | 0 | 0 | 0 | 112.3 | H88 K89 Q102 C110 L111 | H88-P104 CarbonylContact C-O 3.54Å; H88-P104 VanDerWaalsContact CA-O 3.3Å; H88-P104 WeakPolarHBondContact CA-O 3.28Å; K89-P104 HydrophobicContact CB-CG 4.05Å; K89-P104 HydrophobicContact CD-CG 4.49Å; K89-P104 PolarHBondContact N-O 3.4Å; Q102-P104 VanDerWaalsContact C-CD 3.45Å; Q102-P104 WeakPolarHBondContact O-CD 3.36Å; P104-C110 VanDerWaalsContact CA-O 3.26Å; P104-C110 WeakPolarHBondContact CA-O 3.42Å; P104-L111 WeakPolarHBondContact CA-O 3.48Å | ||
| 105 | C | 94.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 8% | 0.081 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 142.6 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | H107 C108 C110 | C105-H107 PolarHBondContact SG-N 3.13Å; C105-H107 VanDerWaalsContact SG-N 3.44Å; C105-C108 VanDerWaalsContact CB-SG 3.57Å; C105-C110 HydrophobicContact CB-CB 3.55Å; C105-C110 PolarHBondContact N-O 3.34Å |
| 106 | K | 91.9 | Very high | 89.8 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -74.5 | -26.3 | 176.8 | -63.8 | 171.7 | -175.5 | 162.2 | 0 | 113.4 | D31 Q87 | D31-K106 IonicContact OD1-NZ 2.98Å; D31-K106 PolarHBondContact OD1-NZ 2.9Å; Q87-K106 WeakPolarHBondContact O-CG 3.26Å; Q87-K106 PolarHBondContact O-N 3.38Å |
| 107 | H | 90.8 | Very high | 89.6 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -105.2 | -7.4 | -170.9 | -55.1 | -59.5 | 0 | 0 | 0 | 114.5 | C105 | C105-H107 PolarHBondContact SG-N 3.13Å; C105-H107 VanDerWaalsContact SG-N 3.44Å |
| 108 | C | 91.7 | Very high | 89.6 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -151.2 | 178.8 | -178.3 | 71.6 | 0 | 0 | 0 | 0 | 112.1 | C105 C110 | C105-C108 VanDerWaalsContact CB-SG 3.57Å; C108-C110 PolarHBondContact O-N 3.31Å; C108-C110 VanDerWaalsContact O-N 3.09Å; C108-C110 VanDerWaalsContact SG-CB 3.53Å |
| 109 | R | 89.3 | Confident | 89.2 | Confident | 238 Ų | 238 | 58.1 Ų | 58.1 | 90% | 0.898 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -79.9 | 20.4 | -178.2 | -56.3 | 179.8 | -173.8 | 171.4 | 1.3 | 113.9 | L111 | R109-L111 PolarHBondContact O-N 3.46Š|
| 110 | C | 91.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | trans | -69 | 122.5 | 177.6 | -168.9 | 0 | 0 | 0 | 0 | 110 | C81 P104 C105 C108 S112 V137 | C81-C110 HydrophobicContact CB-CB 3.89Å; P104-C110 VanDerWaalsContact CA-O 3.26Å; P104-C110 WeakPolarHBondContact CA-O 3.42Å; C105-C110 HydrophobicContact CB-CB 3.55Å; C105-C110 PolarHBondContact N-O 3.34Å; C108-C110 PolarHBondContact O-N 3.31Å; C108-C110 VanDerWaalsContact O-N 3.09Å; C108-C110 VanDerWaalsContact SG-CB 3.53Å; C110-S112 PolarHBondContact SG-O 3.34Å; C110-V137 HydrophobicContact CB-CG1 3.42Å; C110-V137 VanDerWaalsContact CB-CG1 3.42Å; C110-V137 WeakPolarHBondContact SG-CG1 3.45Å | ||
| 111 | L | 91.5 | Very high | 88.9 | Confident | 113 Ų | 113 | 59.5 Ų | 59.5 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | trans | -82.7 | -30.3 | -179.1 | -64 | 175.8 | 0 | 0 | 0 | 112.7 | L103 P104 R109 | L103-L111 CarbonylContact C-O 3.54Å; P104-L111 WeakPolarHBondContact CA-O 3.48Å; R109-L111 PolarHBondContact O-N 3.46Å | ||
| 112 | S | 92.3 | Very high | 88.6 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -151.2 | 149.4 | -177.2 | -146.9 | 0 | 0 | 0 | 0 | 112 | Q102 L103 C110 H114 | Q102-S112 PolarHBondContact OE1-OG 3.01Å; L103-S112 PolarHBondContact N-OG 3.06Å; L103-S112 CarbonylContact O-C 3.51Å; L103-S112 VanDerWaalsContact O-CA 3.3Å; L103-S112 WeakPolarHBondContact O-CA 3.48Å; C110-S112 PolarHBondContact SG-O 3.34Å; S112-H114 PolarHBondContact O-CD2 3.23Å; S112-H114 VanDerWaalsContact O-CD2 3.26Å; S112-H114 PolarHBondContact O-N 3.05Å |
| 113 | F | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -71.8 | 124 | 176.6 | -178.2 | -90 | 0 | 0 | 0 | 111 | V60 A73 C79 L85 H88 L103 V115 M170 M172 | V60-F113 HydrophobicContact CG1-CD1 3.67Å; V60-F113 HydrophobicContact CG1-CE1 3.91Å; A73-F113 HydrophobicContact CB-CE1 3.64Å; A73-F113 HydrophobicContact CB-CZ 4.1Å; C79-F113 HydrophobicContact CB-CD2 3.57Å; C79-F113 HydrophobicContact CB-CE2 3.58Å; C79-F113 HydrophobicContact CB-CG 4.47Å; C79-F113 HydrophobicContact CB-CZ 4.48Å; L85-F113 HydrophobicContact CB-CD2 4.17Å; L85-F113 HydrophobicContact CB-CE2 3.7Å; L85-F113 HydrophobicContact CB-CZ 4.07Å; L85-F113 HydrophobicContact CD1-CB 4.08Å; L85-F113 HydrophobicContact CD1-CD1 3.94Å; L85-F113 HydrophobicContact CD1-CD2 3.5Å; L85-F113 HydrophobicContact CD1-CE1 4.24Å; L85-F113 HydrophobicContact CD1-CE2 3.84Å; L85-F113 HydrophobicContact CD1-CG 3.56Å; L85-F113 HydrophobicContact CD1-CZ 4.2Å; L85-F113 HydrophobicContact CG-CD2 4.44Å; L85-F113 HydrophobicContact CG-CE2 4.34Å; H88-F113 AromaticContact CE1-CD2 3.87Å; H88-F113 AromaticContact ND1-CD2 3.86Å; L103-F113 HydrophobicContact CB-CB 4Å; L103-F113 HydrophobicContact CD1-CB 4.14Å; L103-F113 PolarHBondContact O-N 3.25Å; F113-V115 HydrophobicContact CE1-CG2 3.65Å; F113-V115 HydrophobicContact CZ-CG2 4.3Å; F113-M170 HydrophobicContact CD1-CE 3.96Å; F113-M170 HydrophobicContact CE1-CE 4.27Å; F113-M172 HydrophobicContact CB-CE 3.96Å; F113-M172 HydrophobicContact CD1-CE 4.19Å; F113-M172 WeakPolarHBondContact O-CE 3.45Å | ||
| 114 | H | 92.7 | Very high | 88 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -127.1 | 121.9 | 172.2 | -69.9 | -82.6 | 0 | 0 | 0 | 109.2 | C79 F80 S112 M116 Y141 M170 | C79-H114 CarbonylContact C-O 3.52Å; C79-H114 WeakPolarHBondContact CA-O 3.34Å; C79-H114 PolarHBondContact SG-N 3.44Å; F80-H114 HydrophobicContact CB-CB 4.34Å; F80-H114 PolarHBondContact N-O 3.47Å; S112-H114 PolarHBondContact O-CD2 3.23Å; S112-H114 VanDerWaalsContact O-CD2 3.26Å; S112-H114 PolarHBondContact O-N 3.05Å; H114-M116 PolarHBondContact O-N 3.33Å; H114-Y141 PolarHBondContact CD2-OH 2.98Å; H114-Y141 PolarHBondContact CE1-OH 2.94Å; H114-Y141 PolarHBondContact NE2-OH 3Å; H114-M170 HydrophobicContact CB-CG 4.38Å; H114-M170 WeakPolarHBondContact ND1-CG 3.4Å | ||
| 115 | V | 91.7 | Very high | 87.8 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 9% | 0.085 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -56.5 | 128.9 | -180 | 174.8 | 0 | 0 | 0 | 0 | 110 | W62 I71 A73 F113 P117 M170 | W62-V115 HydrophobicContact CB-CG2 4.24Å; I71-V115 HydrophobicContact CD1-CG1 3.8Å; I71-V115 HydrophobicContact CG2-CG1 4.41Å; I71-V115 HydrophobicContact CG2-CG2 4.43Å; A73-V115 HydrophobicContact CB-CG2 4.16Å; F113-V115 HydrophobicContact CE1-CG2 3.65Å; F113-V115 HydrophobicContact CZ-CG2 4.3Å; V115-P117 VanDerWaalsContact O-CD 3.25Å; V115-P117 WeakPolarHBondContact O-CD 3.48Å; V115-M170 HydrophobicContact CB-SD 4.12Å; V115-M170 HydrophobicContact CG2-CE 3.92Å; V115-M170 HydrophobicContact CG2-SD 3.87Å; V115-M170 PolarHBondContact N-SD 3.1Å |
| 116 | M | 87.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | trans | -71.2 | 117.8 | 174.6 | -177 | 60.1 | 139.8 | 0 | 0 | 109.8 | E78 F80 H114 K118 V123 A132 T133 | E78-M116 HydrophobicContact CB-CB 4.45Å; E78-M116 HydrophobicContact CG-CB 4.47Å; E78-M116 WeakPolarHBondContact O-CB 3.32Å; E78-M116 PolarHBondContact O-N 2.79Å; F80-M116 HydrophobicContact CD2-SD 3.78Å; F80-M116 HydrophobicContact CE2-SD 4.26Å; H114-M116 PolarHBondContact O-N 3.33Å; M116-K118 HydrophobicContact CG-CG 3.94Å; M116-K118 PolarHBondContact O-N 2.77Å; M116-K118 VanDerWaalsContact O-N 3.1Å; M116-V123 HydrophobicContact CE-CB 4.42Å; M116-V123 HydrophobicContact CE-CG1 3.53Å; M116-V123 HydrophobicContact CE-CG2 4.08Å; M116-A132 HydrophobicContact CE-CB 3.41Å; M116-A132 VanDerWaalsContact CE-CB 3.41Å; M116-A132 HydrophobicContact SD-CB 3.68Å; M116-T133 HydrophobicContact CE-CG2 3.74Å | ||
| 117 | P | 80.7 | Confident | 87.6 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | trans | -64.8 | 114.9 | 172.6 | 21.7 | -27.4 | 0 | 0 | 0 | 109.8 | V115 A124 F153 F165 | V115-P117 VanDerWaalsContact O-CD 3.25Å; V115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-A124 HydrophobicContact CB-CB 4.05Å; P117-A124 HydrophobicContact CG-CB 3.92Å; P117-A124 WeakPolarHBondContact O-CB 2.99Å; P117-A124 PolarHBondContact O-N 2.88Å; P117-F153 HydrophobicContact CG-CE1 3.74Å; P117-F153 HydrophobicContact CG-CZ 4.04Å; P117-F165 HydrophobicContact CB-CB 4.2Å; P117-F165 HydrophobicContact CB-CD2 3.15Å; P117-F165 HydrophobicContact CB-CE2 3.39Å; P117-F165 HydrophobicContact CB-CG 3.85Å; P117-F165 HydrophobicContact CB-CZ 4.25Å; P117-F165 HydrophobicContact CG-CD2 4.3Å | ||
| 118 | K | 82.6 | Confident | 87.7 | Confident | 72 Ų | 72 | 65 Ų | 65 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.2 | 176.1 | -66 | -172.2 | 179 | -169.6 | 0 | 110.4 | E78 M116 Q122 | E78-K118 VanDerWaalsContact CD-CE 3.47Å; E78-K118 WeakPolarHBondContact OE1-CE 3.39Å; E78-K118 IonicContact OE1-NZ 3.06Å; E78-K118 PolarHBondContact OE1-NZ 3.05Å; E78-K118 IonicContact OE2-NZ 2.97Å; E78-K118 PolarHBondContact OE2-NZ 2.94Å; M116-K118 HydrophobicContact CG-CG 3.94Å; M116-K118 PolarHBondContact O-N 2.77Å; M116-K118 VanDerWaalsContact O-N 3.1Å; K118-Q122 WeakPolarHBondContact CA-O 3.34Å |
| 119 | F | 75.2 | Confident | 87.7 | Confident | 144 Ų | 144 | 70.9 Ų | 70.9 | 63% | 0.632 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 103.5 | 166.9 | -169.8 | -95.9 | 0 | 0 | 0 | 108.3 | S121 Q122 | F119-S121 PolarHBondContact O-N 3.32Å; F119-Q122 PolarHBondContact N-O 3.37Å; F119-Q122 PolarHBondContact O-N 3.14Å |
| 120 | G | 78.2 | Confident | 87.8 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -123.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 121 | S | 79.7 | Confident | 87.7 | Confident | 116 Ų | 116 | 66.9 Ų | 66.9 | 81% | 0.811 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.7 | 176.6 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | F119 | F119-S121 PolarHBondContact O-N 3.32Š|
| 122 | Q | 83.6 | Confident | 87.6 | Confident | 141 Ų | 141 | 61.5 Ų | 61.5 | 66% | 0.659 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.5 | -173.1 | -62 | -174.9 | 8.5 | 0 | 0 | 111.9 | K118 F119 | K118-Q122 WeakPolarHBondContact CA-O 3.34Å; F119-Q122 PolarHBondContact N-O 3.37Å; F119-Q122 PolarHBondContact O-N 3.14Å |
| 123 | V | 85.5 | Confident | 87.5 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.8 | 173 | 164.5 | 0 | 0 | 0 | 0 | 110.6 | M116 Y131 A132 T133 | M116-V123 HydrophobicContact CE-CB 4.42Å; M116-V123 HydrophobicContact CE-CG1 3.53Å; M116-V123 HydrophobicContact CE-CG2 4.08Å; V123-Y131 HydrophobicContact CB-CD1 4.4Å; V123-Y131 HydrophobicContact CG1-CD1 4.24Å; V123-A132 HydrophobicContact CG1-CB 3.8Å; V123-T133 HydrophobicContact CG1-CG2 4.2Å |
| 124 | A | 87.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 141.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P117 A132 F153 M157 | P117-A124 HydrophobicContact CB-CB 4.05Å; P117-A124 HydrophobicContact CG-CB 3.92Å; P117-A124 WeakPolarHBondContact O-CB 2.99Å; P117-A124 PolarHBondContact O-N 2.88Å; A124-A132 WeakPolarHBondContact O-CB 3.37Å; A124-A132 PolarHBondContact O-N 3.32Å; A124-F153 HydrophobicContact CB-CZ 3.8Å; A124-M157 VanDerWaalsContact CA-CE 3.44Å; A124-M157 HydrophobicContact CB-CE 3.17Å; A124-M157 HydrophobicContact CB-SD 4.1Å |
| 125 | R | 90.6 | Very high | 87.3 | Confident | 131 Ų | 131 | 62.8 Ų | 62.8 | 49% | 0.494 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 146 | 166.2 | -66.2 | -177.8 | 178.8 | -172.4 | -0.7 | 110.6 | H130 Y131 T155 | R125-H130 WeakPolarHBondContact CA-O 2.91Å; R125-Y131 HydrophobicContact CG-CD1 4.24Å; R125-Y131 HydrophobicContact CG-CE1 4.37Å; R125-Y131 PolarHBondContact NH2-OH 3.36Å; R125-T155 VanDerWaalsContact O-CB 3.25Å; R125-T155 WeakPolarHBondContact O-CB 3.27Å; R125-T155 PolarHBondContact O-OG1 3Å |
| 126 | C | 91.5 | Very high | 87.2 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 5% | 0.054 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -75 | 165.7 | 169.1 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | C128 K129 H130 H135 F153 R154 | C126-C128 VanDerWaalsContact CB-SG 3.55Å; C126-C128 PolarHBondContact O-N 3.17Å; C126-C128 VanDerWaalsContact O-N 3.17Å; C126-C128 VanDerWaalsContact SG-SG 3.65Å; C126-K129 WeakPolarHBondContact O-CA 3.15Å; C126-K129 PolarHBondContact O-N 3.2Å; C126-H130 PolarHBondContact N-O 3.07Å; C126-H135 WeakPolarHBondContact CB-CE1 3.47Å; C126-H135 WeakPolarHBondContact CB-NE2 3.38Å; C126-H135 PolarHBondContact SG-NE2 2.96Å; C126-F153 HydrophobicContact CB-CD2 3.69Å; C126-F153 HydrophobicContact CB-CE2 3.88Å; C126-R154 CarbonylContact C-O 3.49Å; C126-R154 WeakPolarHBondContact CA-O 3.34Å; C126-R154 PolarHBondContact SG-N 2.82Å; C126-R154 VanDerWaalsContact SG-N 3.44Å; C126-R154 PolarHBondContact SG-O 3.5Å |
| 127 | H | 90.6 | Very high | 87.1 | Confident | 114 Ų | 114 | 67.5 Ų | 67.5 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.2 | 169.5 | -74.4 | -74.6 | 0 | 0 | 0 | 113.4 | K129 R154 | H127-K129 PolarHBondContact O-N 2.78Å; H127-R154 VanDerWaalsContact CD2-C 3.45Å; H127-R154 PolarHBondContact CD2-O 2.9Å; H127-R154 PolarHBondContact N-O 3.48Å |
| 128 | C | 92.8 | Very high | 87.3 | Confident | 31 Ų | 31 | 69 Ų | 69 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 1.2 | 170.8 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | C126 H130 C148 C150 | C126-C128 VanDerWaalsContact CB-SG 3.55Å; C126-C128 PolarHBondContact O-N 3.17Å; C126-C128 VanDerWaalsContact O-N 3.17Å; C126-C128 VanDerWaalsContact SG-SG 3.65Å; C128-H130 PolarHBondContact O-N 3.23Å; C128-H130 PolarHBondContact SG-ND1 3.05Å; C128-C148 WeakPolarHBondContact CB-SG 3.39Å; C128-C150 HydrophobicContact CB-CB 3.99Å |
| 129 | K | 91.7 | Very high | 87.1 | Confident | 167 Ų | 167 | 70.3 Ų | 70.3 | 73% | 0.726 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 70.4 | -2.2 | -177.8 | -52 | 176.3 | -179.6 | 177.2 | 0 | 115.7 | C126 H127 | C126-K129 WeakPolarHBondContact O-CA 3.15Å; C126-K129 PolarHBondContact O-N 3.2Å; H127-K129 PolarHBondContact O-N 2.78Å |
| 130 | H | 92.2 | Very high | 87.5 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79.5 | 160.4 | 170.9 | -56.9 | 127.7 | 0 | 0 | 0 | 112.2 | R125 C126 C128 D134 C143 K145 | R125-H130 WeakPolarHBondContact CA-O 2.91Å; C126-H130 PolarHBondContact N-O 3.07Å; C128-H130 PolarHBondContact O-N 3.23Å; C128-H130 PolarHBondContact SG-ND1 3.05Å; H130-D134 HydrophobicContact CB-CB 4.1Å; H130-C143 PolarHBondContact ND1-SG 3.23Å; H130-C143 VanDerWaalsContact ND1-SG 3.45Å; H130-K145 HydrophobicContact CB-CG 4.48Å |
| 131 | Y | 90.2 | Very high | 88 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 152.7 | 179.2 | -69.4 | -79.4 | 0 | 0 | 0 | 110.9 | V123 R125 T133 D134 H135 | V123-Y131 HydrophobicContact CB-CD1 4.4Å; V123-Y131 HydrophobicContact CG1-CD1 4.24Å; R125-Y131 HydrophobicContact CG-CD1 4.24Å; R125-Y131 HydrophobicContact CG-CE1 4.37Å; R125-Y131 PolarHBondContact NH2-OH 3.36Å; Y131-T133 WeakPolarHBondContact CB-OG1 3.45Å; Y131-T133 PolarHBondContact O-N 2.95Å; Y131-T133 VanDerWaalsContact O-N 3.14Å; Y131-D134 PolarHBondContact N-OD2 2.95Å; Y131-D134 WeakPolarHBondContact O-CB 3.49Å; Y131-D134 PolarHBondContact O-N 2.98Å; Y131-H135 PolarHBondContact O-CE1 2.89Å; Y131-H135 PolarHBondContact O-ND1 3.02Å |
| 132 | A | 88.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -51.8 | -33.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F80 M116 V123 A124 D134 H135 F153 | F80-A132 HydrophobicContact CD2-CB 4.45Å; F80-A132 HydrophobicContact CE2-CB 3.66Å; F80-A132 HydrophobicContact CZ-CB 4.14Å; F80-A132 VanDerWaalsContact CZ-O 3.26Å; F80-A132 WeakPolarHBondContact CZ-O 3.17Å; M116-A132 HydrophobicContact CE-CB 3.41Å; M116-A132 VanDerWaalsContact CE-CB 3.41Å; M116-A132 HydrophobicContact SD-CB 3.68Å; V123-A132 HydrophobicContact CG1-CB 3.8Å; A124-A132 WeakPolarHBondContact O-CB 3.37Å; A124-A132 PolarHBondContact O-N 3.32Å; A132-D134 PolarHBondContact O-N 3.42Å; A132-H135 WeakPolarHBondContact O-CB 3.39Å; A132-H135 PolarHBondContact O-N 2.93Å; A132-H135 VanDerWaalsContact O-N 3.09Å; A132-F153 HydrophobicContact CB-CD2 3.95Å; A132-F153 HydrophobicContact CB-CE2 3.41Å; A132-F153 VanDerWaalsContact CB-CE2 3.41Å; A132-F153 HydrophobicContact CB-CZ 3.77Å |
| 133 | T | 89.2 | Confident | 88.9 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -70.9 | -17.2 | 178.7 | 61 | 0 | 0 | 0 | 0 | 113.8 | Q82 M116 V123 Y131 H135 | Q82-T133 HydrophobicContact CG-CG2 4.07Å; M116-T133 HydrophobicContact CE-CG2 3.74Å; V123-T133 HydrophobicContact CG1-CG2 4.2Å; Y131-T133 WeakPolarHBondContact CB-OG1 3.45Å; Y131-T133 PolarHBondContact O-N 2.95Å; Y131-T133 VanDerWaalsContact O-N 3.14Å; T133-H135 PolarHBondContact O-N 3.44Å |
| 134 | D | 91.3 | Very high | 89.3 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -84.6 | 8.1 | 172.6 | -62.3 | -55.1 | 0 | 0 | 0 | 111.9 | H130 Y131 A132 C143 S144 K145 | H130-D134 HydrophobicContact CB-CB 4.1Å; Y131-D134 PolarHBondContact N-OD2 2.95Å; Y131-D134 WeakPolarHBondContact O-CB 3.49Å; Y131-D134 PolarHBondContact O-N 2.98Å; A132-D134 PolarHBondContact O-N 3.42Å; D134-C143 CarbonylContact O-C 3.39Å; D134-C143 WeakPolarHBondContact O-CA 3.38Å; D134-S144 PolarHBondContact O-N 2.86Å; D134-K145 HydrophobicContact CB-CG 4.31Å; D134-K145 WeakPolarHBondContact OD1-CE 3.32Å; D134-K145 IonicContact OD1-NZ 3.49Å; D134-K145 PolarHBondContact OD1-NZ 2.99Å; D134-K145 WeakPolarHBondContact OD2-CE 3.33Å; D134-K145 IonicContact OD2-NZ 3.51Å |
| 135 | H | 91.8 | Very high | 89.5 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -110.7 | 146.9 | 177.7 | -61.5 | 64.8 | 0 | 0 | 0 | 110.1 | F80 C126 Y131 A132 T133 Y141 F142 F153 | F80-H135 HydrophobicContact CE1-CB 3.99Å; F80-H135 HydrophobicContact CZ-CB 3.89Å; C126-H135 WeakPolarHBondContact CB-CE1 3.47Å; C126-H135 WeakPolarHBondContact CB-NE2 3.38Å; C126-H135 PolarHBondContact SG-NE2 2.96Å; Y131-H135 PolarHBondContact O-CE1 2.89Å; Y131-H135 PolarHBondContact O-ND1 3.02Å; A132-H135 WeakPolarHBondContact O-CB 3.39Å; A132-H135 PolarHBondContact O-N 2.93Å; A132-H135 VanDerWaalsContact O-N 3.09Å; T133-H135 PolarHBondContact O-N 3.44Å; H135-Y141 PolarHBondContact CD2-O 3.05Å; H135-F142 CarbonylContact C-O 3.37Å; H135-F142 WeakPolarHBondContact CA-O 3.26Å; H135-F153 HydrophobicContact CB-CB 4.4Å; H135-F153 AromaticContact ND1-CD2 3.99Å |
| 136 | N | 89.8 | Confident | 89.3 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | trans | -61.7 | 145.5 | 175.5 | -166.9 | -23.8 | 0 | 0 | 0 | 109.8 | A138 Y141 F142 | N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 3.24Å; N136-A138 PolarHBondContact OD1-N 3.42Å; N136-Y141 WeakPolarHBondContact O-CA 3.25Å; N136-Y141 VanDerWaalsContact O-CD1 3.31Å; N136-Y141 WeakPolarHBondContact O-CD1 3.45Å; N136-F142 PolarHBondContact N-O 3.41Å | ||
| 137 | V | 85.9 | Confident | 89.1 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 22% | 0.218 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -73 | -21.1 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | C81 C110 Y141 | C81-V137 HydrophobicContact CB-CB 4.35Å; C81-V137 HydrophobicContact CB-CG1 3.51Å; C81-V137 HydrophobicContact CB-CG2 3.8Å; C110-V137 HydrophobicContact CB-CG1 3.42Å; C110-V137 VanDerWaalsContact CB-CG1 3.42Å; C110-V137 WeakPolarHBondContact SG-CG1 3.45Å; V137-Y141 VanDerWaalsContact O-CE1 3.24Å; V137-Y141 WeakPolarHBondContact O-CE1 3.31Å |
| 138 | A | 84.1 | Confident | 89.2 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -82.6 | 135.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N136 Y141 | N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 3.24Å; N136-A138 PolarHBondContact OD1-N 3.42Å; A138-Y141 VanDerWaalsContact O-CA 3.31Å; A138-Y141 WeakPolarHBondContact O-CA 3.35Å; A138-Y141 PolarHBondContact O-N 3.42Å |
| 139 | T | 80.3 | Confident | 89.1 | Confident | 101 Ų | 101 | 73.3 Ų | 73.3 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 135.4 | 171.2 | 4 | 0 | 0 | 0 | 0 | 110.3 | Y141 | T139-Y141 HydrophobicContact CG2-CD2 4.16Å; T139-Y141 HydrophobicContact CG2-CE2 3.48Å; T139-Y141 VanDerWaalsContact CG2-CE2 3.48Å |
| 140 | P | 82.9 | Confident | 89.1 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -89.2 | 22.6 | 10.4 | 37 | -37.6 | 0 | 0 | 0 | 115.2 | F142 G152 | P140-F142 HydrophobicContact CG-CD1 4.23Å; P140-F142 HydrophobicContact CG-CD2 3.79Å; P140-F142 HydrophobicContact CG-CE1 3.72Å; P140-F142 HydrophobicContact CG-CE2 3.23Å; P140-F142 HydrophobicContact CG-CG 4.27Å; P140-F142 HydrophobicContact CG-CZ 3.19Å; P140-G152 WeakPolarHBondContact O-CA 3.33Å |
| 141 | Y | 87.9 | Confident | 88.9 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 14% | 0.137 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 53.4 | 178.6 | -43.8 | -79 | 0 | 0 | 0 | 113.5 | F80 H114 H135 N136 V137 A138 T139 G152 F153 | F80-Y141 AromaticContact CD1-CD1 3.73Å; F80-Y141 HydrophobicContact CD1-CD1 3.73Å; F80-Y141 HydrophobicContact CD1-CE1 4.1Å; F80-Y141 AromaticContact CE1-CD1 3.66Å; F80-Y141 HydrophobicContact CE1-CD1 3.66Å; F80-Y141 HydrophobicContact CE1-CE1 4.46Å; F80-Y141 HydrophobicContact CE1-CG 4.17Å; F80-Y141 HydrophobicContact CZ-CD1 4.42Å; H114-Y141 PolarHBondContact CD2-OH 2.98Å; H114-Y141 PolarHBondContact CE1-OH 2.94Å; H114-Y141 PolarHBondContact NE2-OH 3Å; H135-Y141 PolarHBondContact CD2-O 3.05Å; N136-Y141 WeakPolarHBondContact O-CA 3.25Å; N136-Y141 VanDerWaalsContact O-CD1 3.31Å; N136-Y141 WeakPolarHBondContact O-CD1 3.45Å; V137-Y141 VanDerWaalsContact O-CE1 3.24Å; V137-Y141 WeakPolarHBondContact O-CE1 3.31Å; A138-Y141 VanDerWaalsContact O-CA 3.31Å; A138-Y141 WeakPolarHBondContact O-CA 3.35Å; A138-Y141 PolarHBondContact O-N 3.42Å; T139-Y141 HydrophobicContact CG2-CD2 4.16Å; T139-Y141 HydrophobicContact CG2-CE2 3.48Å; T139-Y141 VanDerWaalsContact CG2-CE2 3.48Å; Y141-G152 CarbonylContact O-C 3.34Å; Y141-G152 WeakPolarHBondContact O-CA 3.13Å; Y141-F153 PolarHBondContact O-N 3.46Å |
| 142 | F | 90.1 | Very high | 88.9 | Confident | 110 Ų | 110 | 65.3 Ų | 65.3 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | trans | -64.4 | 143.4 | 179.1 | -67.3 | -65.7 | 0 | 0 | 0 | 112.5 | H135 N136 P140 | H135-F142 CarbonylContact C-O 3.37Å; H135-F142 WeakPolarHBondContact CA-O 3.26Å; N136-F142 PolarHBondContact N-O 3.41Å; P140-F142 HydrophobicContact CG-CD1 4.23Å; P140-F142 HydrophobicContact CG-CD2 3.79Å; P140-F142 HydrophobicContact CG-CE1 3.72Å; P140-F142 HydrophobicContact CG-CE2 3.23Å; P140-F142 HydrophobicContact CG-CG 4.27Å; P140-F142 HydrophobicContact CG-CZ 3.19Å | ||
| 143 | C | 93.3 | Very high | 89 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 136.6 | 174.5 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | H130 D134 K145 C148 C150 | H130-C143 PolarHBondContact ND1-SG 3.23Å; H130-C143 VanDerWaalsContact ND1-SG 3.45Å; D134-C143 CarbonylContact O-C 3.39Å; D134-C143 WeakPolarHBondContact O-CA 3.38Å; C143-K145 PolarHBondContact SG-N 3.48Å; C143-C148 HydrophobicContact CB-CB 4.14Å; C143-C150 WeakPolarHBondContact CB-SG 3.44Å |
| 144 | S | 92.2 | Very high | 88.9 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | trans | -87.3 | -3.8 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | D134 | D134-S144 PolarHBondContact O-N 2.86Š| ||
| 145 | K | 92.2 | Very high | 88.8 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -73.7 | 137.4 | 178.7 | -64.1 | -62.5 | -172.7 | -155.5 | 0 | 111.1 | H130 D134 C143 C148 | H130-K145 HydrophobicContact CB-CG 4.48Å; D134-K145 HydrophobicContact CB-CG 4.31Å; D134-K145 WeakPolarHBondContact OD1-CE 3.32Å; D134-K145 IonicContact OD1-NZ 3.49Å; D134-K145 PolarHBondContact OD1-NZ 2.99Å; D134-K145 WeakPolarHBondContact OD2-CE 3.33Å; D134-K145 IonicContact OD2-NZ 3.51Å; C143-K145 PolarHBondContact SG-N 3.48Å; K145-C148 HydrophobicContact CB-CB 4.32Å; K145-C148 PolarHBondContact O-N 3.46Å |
| 146 | S | 87.1 | Confident | 88.4 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 136.9 | 171 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | C148 | S146-C148 PolarHBondContact O-N 3.08Š|
| 147 | N | 87.9 | Confident | 88.3 | Confident | 159 Ų | 159 | 71.9 Ų | 71.9 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18 | -179.5 | -46.8 | -35.5 | 0 | 0 | 0 | 116.5 | ||
| 148 | C | 91.9 | Very high | 88.5 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | trans | -101.5 | 116.9 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 112 | C128 C143 K145 S146 | C128-C148 WeakPolarHBondContact CB-SG 3.39Å; C143-C148 HydrophobicContact CB-CB 4.14Å; K145-C148 HydrophobicContact CB-CB 4.32Å; K145-C148 PolarHBondContact O-N 3.46Å; S146-C148 PolarHBondContact O-N 3.08Å | ||
| 149 | N | 89.7 | Confident | 88.8 | Confident | 158 Ų | 158 | 76.9 Ų | 76.9 | 85% | 0.845 | 41% | 0.409 | S | S | * | . | trans | -101.2 | 35.1 | 179.9 | -63 | -16.5 | 0 | 0 | 0 | 112.8 | ||||
| 150 | C | 91.7 | Very high | 89.1 | Confident | 24 Ų | 24 | 76.9 Ų | 76.9 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | trans | -76 | 140.3 | 178.3 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | C128 C143 G152 | C128-C150 HydrophobicContact CB-CB 3.99Å; C143-C150 WeakPolarHBondContact CB-SG 3.44Å; C150-G152 PolarHBondContact O-N 3.27Å | ||
| 151 | N | 89.4 | Confident | 89.4 | Confident | 131 Ų | 131 | 75.2 Ų | 75.2 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -81.5 | 25.2 | -179.8 | -63.9 | -17.2 | 0 | 0 | 0 | 113.7 | ||
| 152 | G | 89.5 | Confident | 89.5 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 5% | 0.052 | 41% | 0.406 | C | S | . | . | S | Bend | trans | 121.2 | 162.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | P140 Y141 C150 R154 | P140-G152 WeakPolarHBondContact O-CA 3.33Å; Y141-G152 CarbonylContact O-C 3.34Å; Y141-G152 WeakPolarHBondContact O-CA 3.13Å; C150-G152 PolarHBondContact O-N 3.27Å; G152-R154 PolarHBondContact O-N 3.1Å |
| 153 | F | 90 | Very high | 89.5 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 13% | 0.127 | 39% | 0.389 | C | S | . | . | trans | -62.9 | 118.2 | 176.7 | -180 | -97 | 0 | 0 | 0 | 110.7 | F80 P117 A124 C126 A132 H135 Y141 T155 | F80-F153 HydrophobicContact CE2-CB 4.17Å; F80-F153 AromaticContact CE2-CD1 3.62Å; F80-F153 HydrophobicContact CE2-CD1 3.62Å; F80-F153 HydrophobicContact CE2-CD2 4.06Å; F80-F153 HydrophobicContact CE2-CE1 4.02Å; F80-F153 HydrophobicContact CE2-CE2 4.44Å; F80-F153 AromaticContact CE2-CG 3.65Å; F80-F153 HydrophobicContact CE2-CG 3.65Å; F80-F153 HydrophobicContact CE2-CZ 4.42Å; F80-F153 HydrophobicContact CZ-CB 3.74Å; F80-F153 HydrophobicContact CZ-CD1 4.1Å; F80-F153 HydrophobicContact CZ-CD2 4.03Å; F80-F153 AromaticContact CZ-CG 3.66Å; F80-F153 HydrophobicContact CZ-CG 3.66Å; P117-F153 HydrophobicContact CG-CE1 3.74Å; P117-F153 HydrophobicContact CG-CZ 4.04Å; A124-F153 HydrophobicContact CB-CZ 3.8Å; C126-F153 HydrophobicContact CB-CD2 3.69Å; C126-F153 HydrophobicContact CB-CE2 3.88Å; A132-F153 HydrophobicContact CB-CD2 3.95Å; A132-F153 HydrophobicContact CB-CE2 3.41Å; A132-F153 VanDerWaalsContact CB-CE2 3.41Å; A132-F153 HydrophobicContact CB-CZ 3.77Å; H135-F153 HydrophobicContact CB-CB 4.4Å; H135-F153 AromaticContact ND1-CD2 3.99Å; Y141-F153 PolarHBondContact O-N 3.46Å; F153-T155 HydrophobicContact CE1-CG2 4.18Å; F153-T155 HydrophobicContact CZ-CG2 4.18Å | ||
| 154 | R | 88.7 | Confident | 89.4 | Confident | 149 Ų | 149 | 72.7 Ų | 72.7 | 56% | 0.562 | 39% | 0.394 | S | S | * | . | trans | -142.2 | 133.8 | 173.5 | -71.7 | -176.9 | -176 | -178.4 | -0.1 | 108.6 | C126 H127 G152 | C126-R154 CarbonylContact C-O 3.49Å; C126-R154 WeakPolarHBondContact CA-O 3.34Å; C126-R154 PolarHBondContact SG-N 2.82Å; C126-R154 VanDerWaalsContact SG-N 3.44Å; C126-R154 PolarHBondContact SG-O 3.5Å; H127-R154 VanDerWaalsContact CD2-C 3.45Å; H127-R154 PolarHBondContact CD2-O 2.9Å; H127-R154 PolarHBondContact N-O 3.48Å; G152-R154 PolarHBondContact O-N 3.1Å | ||
| 155 | T | 87.6 | Confident | 89.3 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | trans | -125.5 | 140.6 | 179.6 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | R125 F153 M157 F165 H166 | R125-T155 VanDerWaalsContact O-CB 3.25Å; R125-T155 WeakPolarHBondContact O-CB 3.27Å; R125-T155 PolarHBondContact O-OG1 3Å; F153-T155 HydrophobicContact CE1-CG2 4.18Å; F153-T155 HydrophobicContact CZ-CG2 4.18Å; T155-M157 HydrophobicContact CG2-CB 4.31Å; T155-M157 WeakPolarHBondContact OG1-CG 3.3Å; T155-M157 PolarHBondContact OG1-N 2.98Å; T155-F165 HydrophobicContact CG2-CB 3.7Å; T155-F165 HydrophobicContact CG2-CD2 3.81Å; T155-F165 HydrophobicContact CG2-CG 4.23Å; T155-H166 PolarHBondContact O-ND1 3.13Å | ||
| 156 | S | 85.2 | Confident | 89 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | trans | -83.2 | 0.9 | 171.8 | 50 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 157 | M | 87 | Confident | 89.2 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 29% | 0.286 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 141.1 | 176.5 | -62.5 | -174.8 | -17.7 | 0 | 0 | 110.5 | A124 T155 E164 F165 | A124-M157 VanDerWaalsContact CA-CE 3.44Å; A124-M157 HydrophobicContact CB-CE 3.17Å; A124-M157 HydrophobicContact CB-SD 4.1Å; T155-M157 HydrophobicContact CG2-CB 4.31Å; T155-M157 WeakPolarHBondContact OG1-CG 3.3Å; T155-M157 PolarHBondContact OG1-N 2.98Å; M157-E164 WeakPolarHBondContact O-CA 3.36Å; M157-F165 HydrophobicContact CB-CD2 3.84Å; M157-F165 HydrophobicContact CB-CE2 4.02Å; M157-F165 HydrophobicContact CE-CD2 3.85Å; M157-F165 HydrophobicContact CE-CE2 3.49Å; M157-F165 VanDerWaalsContact CE-CE2 3.49Å; M157-F165 PolarHBondContact O-N 2.89Å |
| 158 | R | 89.6 | Confident | 89.4 | Confident | 167 Ų | 167 | 61.7 Ų | 61.7 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -96.3 | 141.4 | -179 | -67 | -179.7 | 174 | -159.7 | -0.8 | 110.1 | G162 I163 | R158-G162 VanDerWaalsContact CD-O 3.32Å; R158-G162 WeakPolarHBondContact CD-O 3.41Å; R158-I163 WeakPolarHBondContact CA-O 3.48Å |
| 159 | C | 90.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -69 | 165.1 | 164.3 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | C161 G162 I163 F165 | C159-C161 PolarHBondContact O-N 3.02Å; C159-C161 VanDerWaalsContact O-N 3.1Å; C159-G162 WeakPolarHBondContact O-CA 3.46Å; C159-G162 PolarHBondContact O-N 3.47Å; C159-I163 PolarHBondContact N-O 3.44Å; C159-F165 HydrophobicContact CB-CD1 3.68Å; C159-F165 HydrophobicContact CB-CE1 3.53Å |
| 160 | D | 87.8 | Confident | 89.7 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.6 | 171.5 | -60 | -26.6 | 0 | 0 | 0 | 112.3 | G162 P205 I207 | D160-G162 PolarHBondContact O-N 3.09Å; D160-P205 HydrophobicContact CB-CB 4.37Å; D160-P205 WeakPolarHBondContact OD2-CB 3.31Å; D160-P205 WeakPolarHBondContact OD2-CG 3.03Å; D160-I207 HydrophobicContact CB-CG2 3.91Å |
| 161 | C | 89.1 | Confident | 89.8 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -4.2 | 172 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | C159 I163 H168 I207 | C159-C161 PolarHBondContact O-N 3.02Å; C159-C161 VanDerWaalsContact O-N 3.1Å; C161-I163 VanDerWaalsContact C-N 3.34Å; C161-I163 PolarHBondContact O-N 3.34Å; C161-H168 PolarHBondContact SG-NE2 3.42Å; C161-I207 HydrophobicContact CB-CD1 4.45Å |
| 162 | G | 89.1 | Confident | 90 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 86.6 | -8.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R158 C159 D160 | R158-G162 VanDerWaalsContact CD-O 3.32Å; R158-G162 WeakPolarHBondContact CD-O 3.41Å; C159-G162 WeakPolarHBondContact O-CA 3.46Å; C159-G162 PolarHBondContact O-N 3.47Å; D160-G162 PolarHBondContact O-N 3.09Å |
| 163 | I | 90.7 | Very high | 90.2 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -92.1 | 147 | -179.2 | -58.2 | 175.9 | 0 | 0 | 0 | 110.3 | N64 R158 C159 C161 K167 | N64-I163 HydrophobicContact CB-CD1 4.19Å; R158-I163 WeakPolarHBondContact CA-O 3.48Å; C159-I163 PolarHBondContact N-O 3.44Å; C161-I163 VanDerWaalsContact C-N 3.34Å; C161-I163 PolarHBondContact O-N 3.34Å; I163-K167 HydrophobicContact CG2-CB 3.79Å; I163-K167 HydrophobicContact CG2-CD 3.83Å; I163-K167 HydrophobicContact CG2-CG 4.37Å |
| 164 | E | 90.6 | Very high | 90.3 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -62.9 | 143.5 | 177 | -54.5 | 93.8 | 149.8 | 0 | 0 | 112.5 | M157 H166 K167 H168 | M157-E164 WeakPolarHBondContact O-CA 3.36Å; E164-H166 VanDerWaalsContact C-N 3.28Å; E164-H166 WeakPolarHBondContact CB-CE1 3.41Å; E164-H166 PolarHBondContact O-N 2.81Å; E164-K167 VanDerWaalsContact CD-NZ 3.33Å; E164-K167 PolarHBondContact O-N 3.02Å; E164-K167 VanDerWaalsContact O-N 3.07Å; E164-K167 IonicContact OE1-NZ 3.45Å; E164-K167 PolarHBondContact OE1-NZ 3.12Å; E164-K167 VanDerWaalsContact OE2-CD 3.26Å; E164-K167 WeakPolarHBondContact OE2-CD 3.42Å; E164-K167 WeakPolarHBondContact OE2-CE 3.45Å; E164-K167 IonicContact OE2-NZ 3.99Å; E164-K167 PolarHBondContact OE2-NZ 2.8Å; E164-H168 PolarHBondContact O-CE1 3.35Å; E164-H168 PolarHBondContact O-ND1 3.47Å |
| 165 | F | 89.7 | Confident | 90.5 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -58.2 | -35.5 | -177.5 | -70.8 | -27.2 | 0 | 0 | 0 | 114.3 | W62 P117 T155 M157 C159 K167 H168 | W62-F165 HydrophobicContact CH2-CB 3.85Å; W62-F165 AromaticContact CH2-CD1 3.2Å; W62-F165 HydrophobicContact CH2-CD1 3.2Å; W62-F165 HydrophobicContact CH2-CD2 4.49Å; W62-F165 AromaticContact CH2-CE1 3.6Å; W62-F165 HydrophobicContact CH2-CE1 3.6Å; W62-F165 AromaticContact CH2-CG 3.66Å; W62-F165 HydrophobicContact CH2-CG 3.66Å; W62-F165 HydrophobicContact CH2-CZ 4.42Å; W62-F165 HydrophobicContact CZ2-CB 4Å; W62-F165 HydrophobicContact CZ2-CD1 4.15Å; W62-F165 HydrophobicContact CZ2-CG 4.32Å; W62-F165 WeakPolarHBondContact CZ2-O 3.34Å; W62-F165 AromaticContact CZ3-CD1 3.83Å; W62-F165 HydrophobicContact CZ3-CD1 3.83Å; W62-F165 AromaticContact CZ3-CE1 3.83Å; W62-F165 HydrophobicContact CZ3-CE1 3.83Å; P117-F165 HydrophobicContact CB-CB 4.2Å; P117-F165 HydrophobicContact CB-CD2 3.15Å; P117-F165 HydrophobicContact CB-CE2 3.39Å; P117-F165 HydrophobicContact CB-CG 3.85Å; P117-F165 HydrophobicContact CB-CZ 4.25Å; P117-F165 HydrophobicContact CG-CD2 4.3Å; T155-F165 HydrophobicContact CG2-CB 3.7Å; T155-F165 HydrophobicContact CG2-CD2 3.81Å; T155-F165 HydrophobicContact CG2-CG 4.23Å; M157-F165 HydrophobicContact CB-CD2 3.84Å; M157-F165 HydrophobicContact CB-CE2 4.02Å; M157-F165 HydrophobicContact CE-CD2 3.85Å; M157-F165 HydrophobicContact CE-CE2 3.49Å; M157-F165 VanDerWaalsContact CE-CE2 3.49Å; M157-F165 PolarHBondContact O-N 2.89Å; C159-F165 HydrophobicContact CB-CD1 3.68Å; C159-F165 HydrophobicContact CB-CE1 3.53Å; F165-K167 PolarHBondContact O-N 3.01Å; F165-H168 WeakPolarHBondContact O-CB 3.48Å; F165-H168 PolarHBondContact O-N 3.5Å; F165-H168 VanDerWaalsContact O-N 3.13Å |
| 166 | H | 86.3 | Confident | 90.7 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -70.2 | -13.2 | -179.9 | 69.6 | -92 | 0 | 0 | 0 | 114 | T155 E164 H168 | T155-H166 PolarHBondContact O-ND1 3.13Å; E164-H166 VanDerWaalsContact C-N 3.28Å; E164-H166 WeakPolarHBondContact CB-CE1 3.41Å; E164-H166 PolarHBondContact O-N 2.81Å; H166-H168 VanDerWaalsContact C-N 3.31Å |
| 167 | K | 90.8 | Very high | 91.1 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -87.4 | -3.3 | 174.4 | -63.8 | -177.5 | -179.7 | 160.1 | 0 | 112.8 | P65 I163 E164 F165 | P65-K167 WeakPolarHBondContact CD-O 3.21Å; P65-K167 HydrophobicContact CG-CB 4.07Å; P65-K167 VanDerWaalsContact CG-O 3.3Å; P65-K167 WeakPolarHBondContact CG-O 3.27Å; I163-K167 HydrophobicContact CG2-CB 3.79Å; I163-K167 HydrophobicContact CG2-CD 3.83Å; I163-K167 HydrophobicContact CG2-CG 4.37Å; E164-K167 VanDerWaalsContact CD-NZ 3.33Å; E164-K167 PolarHBondContact O-N 3.02Å; E164-K167 VanDerWaalsContact O-N 3.07Å; E164-K167 IonicContact OE1-NZ 3.45Å; E164-K167 PolarHBondContact OE1-NZ 3.12Å; E164-K167 VanDerWaalsContact OE2-CD 3.26Å; E164-K167 WeakPolarHBondContact OE2-CD 3.42Å; E164-K167 WeakPolarHBondContact OE2-CE 3.45Å; E164-K167 IonicContact OE2-NZ 3.99Å; E164-K167 PolarHBondContact OE2-NZ 2.8Å; F165-K167 PolarHBondContact O-N 3.01Å |
| 168 | H | 93.2 | Very high | 91.4 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | trans | -90.8 | 147.9 | 176.8 | -65.5 | 67.2 | 0 | 0 | 0 | 110.1 | W62 M63 N64 C70 C161 E164 F165 H166 | W62-H168 HydrophobicContact CD2-CB 3.83Å; W62-H168 AromaticContact CE2-CG 3.93Å; W62-H168 HydrophobicContact CG-CB 4.21Å; W62-H168 HydrophobicContact CH2-CB 4.48Å; W62-H168 HydrophobicContact CZ2-CB 3.66Å; M63-H168 CarbonylContact O-C 3.38Å; M63-H168 WeakPolarHBondContact O-CA 3.49Å; M63-H168 WeakPolarHBondContact O-CB 3.32Å; N64-H168 WeakPolarHBondContact CB-NE2 3.02Å; C70-H168 PolarHBondContact SG-NE2 3.37Å; C70-H168 VanDerWaalsContact SG-NE2 3.44Å; C161-H168 PolarHBondContact SG-NE2 3.42Å; E164-H168 PolarHBondContact O-CE1 3.35Å; E164-H168 PolarHBondContact O-ND1 3.47Å; F165-H168 WeakPolarHBondContact O-CB 3.48Å; F165-H168 PolarHBondContact O-N 3.5Å; F165-H168 VanDerWaalsContact O-N 3.13Å; H166-H168 VanDerWaalsContact C-N 3.31Å | ||
| 169 | E | 92.8 | Very high | 91.5 | Very high | 126 Ų | 126 | 51.8 Ų | 51.8 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143 | -177.1 | -64.7 | -179.6 | 179.3 | 0 | 0 | 110.3 | W62 M63 | W62-E169 WeakPolarHBondContact CA-O 3.21Å; M63-E169 PolarHBondContact N-O 3.05Å; M63-E169 PolarHBondContact O-N 3Å |
| 170 | M | 93.9 | Very high | 91.7 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 15% | 0.153 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127 | 171.2 | -69.3 | -57.3 | -53.6 | 0 | 0 | 108.8 | V60 W62 F113 H114 V115 M172 | V60-M170 HydrophobicContact CG1-CE 3.65Å; W62-M170 HydrophobicContact CB-SD 3.95Å; W62-M170 HydrophobicContact CG-SD 3.92Å; F113-M170 HydrophobicContact CD1-CE 3.96Å; F113-M170 HydrophobicContact CE1-CE 4.27Å; H114-M170 HydrophobicContact CB-CG 4.38Å; H114-M170 WeakPolarHBondContact ND1-CG 3.4Å; V115-M170 HydrophobicContact CB-SD 4.12Å; V115-M170 HydrophobicContact CG2-CE 3.92Å; V115-M170 HydrophobicContact CG2-SD 3.87Å; V115-M170 PolarHBondContact N-SD 3.1Å; M170-M172 HydrophobicContact CB-CE 4.39Å; M170-M172 HydrophobicContact CE-CE 3.69Å; M170-M172 HydrophobicContact CE-SD 4.47Å |
| 171 | I | 94.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.5 | 174.1 | -50.4 | -63.4 | 0 | 0 | 0 | 108.2 | S61 M63 E173 | S61-I171 PolarHBondContact N-O 3.2Å; S61-I171 PolarHBondContact O-N 3.11Å; S61-I171 WeakPolarHBondContact OG-CB 3.47Å; S61-I171 PolarHBondContact OG-O 3.27Å; M63-I171 HydrophobicContact CB-CG1 3.93Å; M63-I171 HydrophobicContact CE-CD1 4.05Å; M63-I171 HydrophobicContact CE-CG1 4.14Å; M63-I171 HydrophobicContact SD-CG1 4.37Å; I171-E173 HydrophobicContact CG2-CB 4.32Å; I171-E173 HydrophobicContact CG2-CG 4.47Å |
| 172 | M | 93.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.3 | 174.3 | -52.1 | -54.4 | -171.3 | 0 | 0 | 107.4 | I58 F59 V60 I101 L103 F113 M170 | I58-M172 HydrophobicContact CG2-CB 4.31Å; F59-M172 WeakPolarHBondContact O-CA 3.26Å; V60-M172 HydrophobicContact CB-SD 3.9Å; V60-M172 HydrophobicContact CG1-CE 3.76Å; V60-M172 HydrophobicContact CG1-SD 3.55Å; V60-M172 VanDerWaalsContact CG1-SD 3.55Å; V60-M172 HydrophobicContact CG2-CE 4.5Å; V60-M172 HydrophobicContact CG2-SD 3.63Å; I101-M172 HydrophobicContact CB-CB 3.93Å; I101-M172 WeakPolarHBondContact O-CG 3.37Å; L103-M172 HydrophobicContact CD1-CE 3.74Å; L103-M172 HydrophobicContact CD1-CG 4.41Å; L103-M172 HydrophobicContact CD1-SD 3.66Å; L103-M172 HydrophobicContact CG-CE 4.34Å; L103-M172 HydrophobicContact CG-SD 4.42Å; F113-M172 HydrophobicContact CB-CE 3.96Å; F113-M172 HydrophobicContact CD1-CE 4.19Å; F113-M172 WeakPolarHBondContact O-CE 3.45Å; M170-M172 HydrophobicContact CB-CE 4.39Å; M170-M172 HydrophobicContact CE-CE 3.69Å; M170-M172 HydrophobicContact CE-SD 4.47Å |
| 173 | E | 93.4 | Very high | 92 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154 | -169.9 | 65.9 | -174.3 | 170.8 | 0 | 0 | 112 | F59 I171 E177 R178 R181 | F59-E173 HydrophobicContact CB-CG 3.8Å; F59-E173 PolarHBondContact N-O 3.37Å; F59-E173 PolarHBondContact O-N 2.87Å; I171-E173 HydrophobicContact CG2-CB 4.32Å; I171-E173 HydrophobicContact CG2-CG 4.47Å; E173-E177 WeakPolarHBondContact CA-OE2 3.5Å; E173-E177 HydrophobicContact CB-CB 3.89Å; E173-R178 HydrophobicContact CG-CB 3.93Å; E173-R178 WeakPolarHBondContact OE1-CB 3.17Å; E173-R178 WeakPolarHBondContact OE1-CD 3.35Å; E173-R178 WeakPolarHBondContact OE1-CG 3.42Å; E173-R178 IonicContact OE1-CZ 3.39Å; E173-R178 IonicContact OE1-NE 2.7Å; E173-R178 IonicContact OE1-NH1 2.78Å; E173-R178 PolarHBondContact OE1-NH1 3.42Å; E173-R181 IonicContact OE1-NH1 3.24Å; E173-R181 PolarHBondContact OE1-NH1 2.9Å; E173-R181 WeakPolarHBondContact OE2-CD 3.5Å; E173-R181 IonicContact OE2-CZ 2.69Å; E173-R181 IonicContact OE2-NE 2.83Å; E173-R181 IonicContact OE2-NH1 3.3Å; E173-R181 PolarHBondContact OE2-NH1 3.25Å |
| 174 | T | 93 | Very high | 92 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | trans | -76.1 | 169.9 | 171.9 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | I95 I101 E176 E177 R178 | I95-T174 HydrophobicContact CD1-CG2 3.86Å; I95-T174 HydrophobicContact CG2-CG2 3.78Å; I101-T174 HydrophobicContact CD1-CG2 4.45Å; T174-E176 PolarHBondContact O-N 3.11Å; T174-E177 PolarHBondContact N-OE2 3.29Å; T174-E177 PolarHBondContact O-N 2.81Å; T174-E177 WeakPolarHBondContact OG1-CG 3.31Å; T174-E177 PolarHBondContact OG1-N 3.25Å; T174-E177 PolarHBondContact OG1-OE2 3.21Å; T174-R178 WeakPolarHBondContact O-CB 3.44Å; T174-R178 PolarHBondContact O-N 3.41Å | ||
| 175 | A | 91.8 | Very high | 92 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -39.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F59 H179 I185 | F59-A175 HydrophobicContact CE2-CB 3.89Å; A175-H179 WeakPolarHBondContact O-CB 3.24Å; A175-H179 PolarHBondContact O-N 3.47Å; A175-I185 HydrophobicContact CB-CG2 4.32Å; A175-I185 WeakPolarHBondContact O-CD1 3.47Å |
| 176 | E | 92.3 | Very high | 91.9 | Very high | 162 Ų | 162 | 57.3 Ų | 57.3 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.4 | -44.3 | -179.1 | -62.7 | 179.9 | 179.8 | 0 | 0 | 111.9 | T174 R178 H179 S180 | T174-E176 PolarHBondContact O-N 3.11Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 2.88Å; E176-H179 WeakPolarHBondContact O-CB 3.44Å; E176-H179 PolarHBondContact O-N 2.86Å; E176-S180 PolarHBondContact O-N 3.21Å; E176-S180 PolarHBondContact O-OG 3.02Å |
| 177 | E | 93.2 | Very high | 91.9 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 34% | 0.341 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.9 | -71.8 | 170.7 | 158.4 | 0 | 0 | 111 | E173 T174 H179 S180 R181 | E173-E177 WeakPolarHBondContact CA-OE2 3.5Å; E173-E177 HydrophobicContact CB-CB 3.89Å; T174-E177 PolarHBondContact N-OE2 3.29Å; T174-E177 PolarHBondContact O-N 2.81Å; T174-E177 WeakPolarHBondContact OG1-CG 3.31Å; T174-E177 PolarHBondContact OG1-N 3.25Å; T174-E177 PolarHBondContact OG1-OE2 3.21Å; E177-H179 VanDerWaalsContact C-N 3.34Å; E177-H179 PolarHBondContact O-N 3.07Å; E177-S180 PolarHBondContact O-N 2.96Å; E177-S180 PolarHBondContact O-OG 2.62Å; E177-R181 WeakPolarHBondContact O-CG 3.4Å; E177-R181 PolarHBondContact O-N 2.8Å; E177-R181 VanDerWaalsContact O-N 3.12Å |
| 178 | R | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.3 | -170.3 | 162 | -176.6 | 77.3 | 1.3 | 112.1 | F59 D69 E173 T174 E176 R181 G182 K183 P184 | F59-R178 HydrophobicContact CD2-CB 4.41Å; D69-R178 IonicContact OD2-CZ 3.77Å; D69-R178 IonicContact OD2-NH1 2.81Å; D69-R178 PolarHBondContact OD2-NH1 3.05Å; D69-R178 IonicContact OD2-NH2 2.58Å; D69-R178 PolarHBondContact OD2-NH2 2.97Å; E173-R178 HydrophobicContact CG-CB 3.93Å; E173-R178 WeakPolarHBondContact OE1-CB 3.17Å; E173-R178 WeakPolarHBondContact OE1-CD 3.35Å; E173-R178 WeakPolarHBondContact OE1-CG 3.42Å; E173-R178 IonicContact OE1-CZ 3.39Å; E173-R178 IonicContact OE1-NE 2.7Å; E173-R178 IonicContact OE1-NH1 2.78Å; E173-R178 PolarHBondContact OE1-NH1 3.42Å; T174-R178 WeakPolarHBondContact O-CB 3.44Å; T174-R178 PolarHBondContact O-N 3.41Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 2.88Å; R178-R181 PolarHBondContact O-N 2.9Å; R178-G182 PolarHBondContact O-N 3.1Å; R178-K183 HydrophobicContact CG-CB 3.58Å; R178-K183 WeakPolarHBondContact O-CB 3.45Å; R178-K183 PolarHBondContact O-N 2.85Å; R178-K183 VanDerWaalsContact O-N 3.1Å; R178-P184 PolarHBondContact NE-O 2.8Å |
| 179 | H | 93 | Very high | 91.3 | Very high | 126 Ų | 126 | 61.3 Ų | 61.3 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 177.4 | -162.8 | 54 | 0 | 0 | 0 | 111.9 | A175 E176 E177 R181 G182 I185 | A175-H179 WeakPolarHBondContact O-CB 3.24Å; A175-H179 PolarHBondContact O-N 3.47Å; E176-H179 WeakPolarHBondContact O-CB 3.44Å; E176-H179 PolarHBondContact O-N 2.86Å; E177-H179 VanDerWaalsContact C-N 3.34Å; E177-H179 PolarHBondContact O-N 3.07Å; H179-R181 PolarHBondContact O-N 2.99Å; H179-G182 WeakPolarHBondContact O-CA 2.98Å; H179-G182 PolarHBondContact O-N 3.48Å; H179-I185 HydrophobicContact CB-CD1 3.7Å |
| 180 | S | 93.3 | Very high | 91.1 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 69% | 0.692 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.9 | -29.4 | -179.8 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | E176 E177 G182 | E176-S180 PolarHBondContact O-N 3.21Å; E176-S180 PolarHBondContact O-OG 3.02Å; E177-S180 PolarHBondContact O-N 2.96Å; E177-S180 PolarHBondContact O-OG 2.62Å; S180-G182 PolarHBondContact O-N 3.31Å |
| 181 | R | 90.9 | Very high | 91 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -1.7 | 168.8 | -70.1 | 175.8 | 66.4 | -144.9 | -3.6 | 114.3 | M63 D69 E173 E177 R178 H179 K183 | M63-R181 PolarHBondContact SD-NH2 3.34Å; D69-R181 IonicContact OD1-NH2 3.34Å; E173-R181 IonicContact OE1-NH1 3.24Å; E173-R181 PolarHBondContact OE1-NH1 2.9Å; E173-R181 WeakPolarHBondContact OE2-CD 3.5Å; E173-R181 IonicContact OE2-CZ 2.69Å; E173-R181 IonicContact OE2-NE 2.83Å; E173-R181 IonicContact OE2-NH1 3.3Å; E173-R181 PolarHBondContact OE2-NH1 3.25Å; E177-R181 WeakPolarHBondContact O-CG 3.4Å; E177-R181 PolarHBondContact O-N 2.8Å; E177-R181 VanDerWaalsContact O-N 3.12Å; R178-R181 PolarHBondContact O-N 2.9Å; H179-R181 PolarHBondContact O-N 2.99Å; R181-K183 VanDerWaalsContact C-N 3.3Å; R181-K183 HydrophobicContact CB-CG 3.96Å; R181-K183 PolarHBondContact O-N 3.16Å |
| 182 | G | 89.6 | Confident | 90.9 | Very high | 45 Ų | 45 | 57 Ų | 57 | 46% | 0.464 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 24.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R178 H179 S180 T212 | R178-G182 PolarHBondContact O-N 3.1Å; H179-G182 WeakPolarHBondContact O-CA 2.98Å; H179-G182 PolarHBondContact O-N 3.48Å; S180-G182 PolarHBondContact O-N 3.31Å; G182-T212 WeakPolarHBondContact O-CB 3.17Å; G182-T212 PolarHBondContact O-OG1 3.31Å |
| 183 | K | 91.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | trans | -95.8 | 150.3 | -178.4 | -59 | -68.3 | 176.9 | 174.9 | 0 | 110.3 | G67 R178 R181 T212 | G67-K183 PolarHBondContact O-NZ 3.13Å; R178-K183 HydrophobicContact CG-CB 3.58Å; R178-K183 WeakPolarHBondContact O-CB 3.45Å; R178-K183 PolarHBondContact O-N 2.85Å; R178-K183 VanDerWaalsContact O-N 3.1Å; R181-K183 VanDerWaalsContact C-N 3.3Å; R181-K183 HydrophobicContact CB-CG 3.96Å; R181-K183 PolarHBondContact O-N 3.16Å; K183-T212 WeakPolarHBondContact CD-O 3.31Å; K183-T212 PolarHBondContact NZ-O 3.04Å | ||
| 184 | P | 90.9 | Very high | 90.7 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | trans | -68.2 | 137.7 | -179.9 | 28.9 | -34.6 | 0 | 0 | 0 | 110.6 | R178 T198 T212 | R178-P184 PolarHBondContact NE-O 2.8Å; P184-T198 WeakPolarHBondContact O-CG2 3.38Å; P184-T212 WeakPolarHBondContact CD-OG1 3.22Å | ||
| 185 | I | 90.9 | Very high | 90.8 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 27% | 0.272 | 32% | 0.319 | S | S | . | . | trans | -97 | -27.3 | 174.6 | -55.3 | 173 | 0 | 0 | 0 | 110.6 | F59 A175 H179 T198 | F59-I185 HydrophobicContact CE1-CG2 4.34Å; F59-I185 HydrophobicContact CE2-CG2 4.06Å; F59-I185 HydrophobicContact CZ-CB 4.27Å; F59-I185 HydrophobicContact CZ-CG2 3.48Å; F59-I185 VanDerWaalsContact CZ-CG2 3.48Å; A175-I185 HydrophobicContact CB-CG2 4.32Å; A175-I185 WeakPolarHBondContact O-CD1 3.47Å; H179-I185 HydrophobicContact CB-CD1 3.7Å; I185-T198 VanDerWaalsContact C-CG2 3.44Å; I185-T198 VanDerWaalsContact O-CG2 3.27Å; I185-T198 WeakPolarHBondContact O-CG2 3.26Å | ||
| 186 | G | 87.7 | Confident | 90.8 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | trans | 70.5 | -169.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 187 | Q | 86.9 | Confident | 90.9 | Very high | 175 Ų | 175 | 49.4 Ų | 49.4 | 82% | 0.818 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -77.6 | 144.8 | 172.6 | -67.3 | 180 | 2.1 | 0 | 0 | 110.5 | S189 | Q187-S189 PolarHBondContact O-N 3.26Š|
| 188 | T | 85.4 | Confident | 90.8 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 54% | 0.54 | 27% | 0.268 | S | S | . | . | trans | -67.9 | 128.1 | 178 | -40 | 0 | 0 | 0 | 0 | 110.6 | R54 | R54-T188 VanDerWaalsContact CA-CG2 3.48Å; R54-T188 HydrophobicContact CB-CG2 3.68Å; R54-T188 HydrophobicContact CG-CG2 3.52Å | ||
| 189 | S | 86.7 | Confident | 90.7 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -107.4 | 138.3 | -177.5 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | Q187 Y191 | Q187-S189 PolarHBondContact O-N 3.26Å; S189-Y191 VanDerWaalsContact C-N 3.27Å; S189-Y191 VanDerWaalsContact OG-CD2 3.23Å; S189-Y191 WeakPolarHBondContact OG-CD2 3.18Å; S189-Y191 PolarHBondContact OG-N 3.5Å | ||
| 190 | P | 88.6 | Confident | 90.6 | Very high | 32 Ų | 32 | 52 Ų | 52 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | trans | -76.6 | -13.5 | 174 | 30.9 | -34.3 | 0 | 0 | 0 | 113.7 | L50 R53 | L50-P190 HydrophobicContact CD2-CB 3.39Å; L50-P190 WeakPolarHBondContact CD2-O 3.3Å; R53-P190 PolarHBondContact NH1-O 2.93Å | ||
| 191 | Y | 91.3 | Very high | 90.4 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 28% | 0.275 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -78.3 | 151 | -169.3 | -53.6 | -43.7 | 0 | 0 | 0 | 112.8 | R26 I27 S189 M194 | R26-Y191 HydrophobicContact CB-CD1 3.38Å; R26-Y191 HydrophobicContact CB-CE1 3.67Å; R26-Y191 HydrophobicContact CB-CG 3.87Å; R26-Y191 WeakPolarHBondContact O-CA 3.31Å; R26-Y191 WeakPolarHBondContact O-CB 3.47Å; I27-Y191 HydrophobicContact CG1-CD1 3.84Å; I27-Y191 HydrophobicContact CG1-CE1 4.08Å; S189-Y191 VanDerWaalsContact C-N 3.27Å; S189-Y191 VanDerWaalsContact OG-CD2 3.23Å; S189-Y191 WeakPolarHBondContact OG-CD2 3.18Å; S189-Y191 PolarHBondContact OG-N 3.5Å; Y191-M194 HydrophobicContact CD2-SD 4.46Å |
| 192 | Q | 90.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 142.9 | -178.2 | -168.8 | 177.1 | 43.6 | 0 | 0 | 111.2 | R26 V28 G29 D31 I86 M194 | R26-Q192 PolarHBondContact O-N 3.09Å; V28-Q192 PolarHBondContact O-OE1 3.27Å; G29-Q192 VanDerWaalsContact CA-OE1 3.28Å; D31-Q192 PolarHBondContact OD1-NE2 3.35Å; D31-Q192 PolarHBondContact OD2-NE2 3.07Å; I86-Q192 HydrophobicContact CG1-CB 4.39Å; I86-Q192 HydrophobicContact CG1-CG 4.21Å; Q192-M194 VanDerWaalsContact C-N 3.27Å; Q192-M194 PolarHBondContact O-N 2.94Å; Q192-M194 VanDerWaalsContact O-N 3.14Å |
| 193 | A | 91.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 36 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G74 P75 L85 I86 T90 G195 | G74-A193 CarbonylContact C-O 3.53Å; P75-A193 WeakPolarHBondContact CA-O 3.33Å; P75-A193 HydrophobicContact CB-CB 4.31Å; P75-A193 WeakPolarHBondContact CD-O 3.47Å; P75-A193 VanDerWaalsContact N-O 3.11Å; L85-A193 WeakPolarHBondContact CD2-O 3.47Å; L85-A193 HydrophobicContact CG-CB 4.14Å; I86-A193 HydrophobicContact CB-CB 4.19Å; I86-A193 HydrophobicContact CG1-CB 4.35Å; T90-A193 HydrophobicContact CG2-CB 3.97Å; A193-G195 PolarHBondContact O-N 2.83Å; A193-G195 VanDerWaalsContact O-N 3.15Å |
| 194 | M | 93.4 | Very high | 90.6 | Very high | 40 Ų | 40 | 50 Ų | 50 | 20% | 0.197 | 29% | 0.287 | C | S | . | . | trans | -65.1 | -15.1 | 177 | -70.6 | -58.9 | -65.6 | 0 | 0 | 113.9 | R57 P75 Y191 Q192 G196 L197 | R57-M194 PolarHBondContact NH2-O 2.82Å; P75-M194 HydrophobicContact CG-SD 4.26Å; Y191-M194 HydrophobicContact CD2-SD 4.46Å; Q192-M194 VanDerWaalsContact C-N 3.27Å; Q192-M194 PolarHBondContact O-N 2.94Å; Q192-M194 VanDerWaalsContact O-N 3.14Å; M194-G196 PolarHBondContact O-N 3.45Å; M194-L197 HydrophobicContact CE-CB 3.94Å; M194-L197 HydrophobicContact CE-CD1 4.13Å; M194-L197 WeakPolarHBondContact O-CB 3.49Å; M194-L197 PolarHBondContact O-N 2.88Å | ||
| 195 | G | 93.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -124.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R57 I58 F59 A73 A193 L197 | R57-G195 PolarHBondContact NE-O 2.87Å; R57-G195 PolarHBondContact NH2-O 2.91Å; I58-G195 WeakPolarHBondContact O-CA 3.48Å; F59-G195 WeakPolarHBondContact CD1-O 3.47Å; A73-G195 CarbonylContact O-C 3.55Å; A73-G195 WeakPolarHBondContact O-CA 3.06Å; A193-G195 PolarHBondContact O-N 2.83Å; A193-G195 VanDerWaalsContact O-N 3.15Å; G195-L197 PolarHBondContact O-N 3.26Å |
| 196 | G | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | V60 A73 M194 T198 | V60-G196 PolarHBondContact O-N 3.12Å; A73-G196 PolarHBondContact O-N 3.5Å; M194-G196 PolarHBondContact O-N 3.45Å; G196-T198 PolarHBondContact O-N 2.84Å |
| 197 | L | 94 | Very high | 90.5 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | trans | -75.9 | 114.5 | -171.5 | -61.2 | -174.4 | 0 | 0 | 0 | 113.1 | R57 L72 M194 G195 S202 L203 | R57-L197 PolarHBondContact NH2-O 3.01Å; L72-L197 HydrophobicContact CB-CD2 4.34Å; L72-L197 WeakPolarHBondContact O-CD2 3.46Å; M194-L197 HydrophobicContact CE-CB 3.94Å; M194-L197 HydrophobicContact CE-CD1 4.13Å; M194-L197 WeakPolarHBondContact O-CB 3.49Å; M194-L197 PolarHBondContact O-N 2.88Å; G195-L197 PolarHBondContact O-N 3.26Å; L197-S202 VanDerWaalsContact CA-OG 3.29Å; L197-S202 WeakPolarHBondContact CA-OG 3.29Å; L197-S202 WeakPolarHBondContact CD2-OG 3.46Å; L197-L203 HydrophobicContact CD1-CD2 3.88Å; L197-L203 HydrophobicContact CD2-CD2 3.73Å; L197-L203 HydrophobicContact CD2-CG 4.49Å; L197-L203 HydrophobicContact CG-CD2 4.47Å | ||
| 198 | T | 91.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | trans | -107.3 | -10.8 | -176.4 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | F59 P184 I185 G196 S202 | F59-T198 HydrophobicContact CE1-CG2 4.17Å; P184-T198 WeakPolarHBondContact O-CG2 3.38Å; I185-T198 VanDerWaalsContact C-CG2 3.44Å; I185-T198 VanDerWaalsContact O-CG2 3.27Å; I185-T198 WeakPolarHBondContact O-CG2 3.26Å; G196-T198 PolarHBondContact O-N 2.84Å; T198-S202 PolarHBondContact N-OG 3.05Å; T198-S202 VanDerWaalsContact N-OG 3.09Å | ||
| 199 | G | 90 | Very high | 90.8 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 169.8 | -174.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S201 S202 | G199-S201 VanDerWaalsContact C-N 3.33Å; G199-S201 PolarHBondContact O-N 2.89Å; G199-S202 PolarHBondContact N-OG 3.45Å; G199-S202 WeakPolarHBondContact O-CB 3.5Å; G199-S202 PolarHBondContact O-N 3.03Å; G199-S202 VanDerWaalsContact O-N 3.16Å; G199-S202 PolarHBondContact O-OG 3.02Å |
| 200 | F | 90.9 | Very high | 90.8 | Very high | 186 Ų | 186 | 48.6 Ų | 48.6 | 82% | 0.816 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -61 | -39.8 | -177.2 | -174.6 | -102.7 | 0 | 0 | 0 | 113.1 | S202 L203 | F200-S202 PolarHBondContact O-N 2.99Å; F200-L203 HydrophobicContact CD2-CD1 4.19Å; F200-L203 HydrophobicContact CE2-CD1 4.41Å; F200-L203 WeakPolarHBondContact O-CB 3.3Å; F200-L203 PolarHBondContact O-N 3.05Å |
| 201 | S | 89.7 | Confident | 90.7 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -61.5 | -28 | 178.3 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | G199 L203 A204 R209 | G199-S201 VanDerWaalsContact C-N 3.33Å; G199-S201 PolarHBondContact O-N 2.89Å; S201-L203 PolarHBondContact O-N 3.22Å; S201-A204 VanDerWaalsContact O-CB 3.27Å; S201-A204 WeakPolarHBondContact O-CB 3.45Å; S201-A204 PolarHBondContact O-N 3.22Å; S201-R209 WeakPolarHBondContact O-CD 3Å; S201-R209 WeakPolarHBondContact O-CG 3.39Å |
| 202 | S | 92.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -66.3 | -17.8 | -179.4 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | L197 T198 G199 F200 A204 | L197-S202 VanDerWaalsContact CA-OG 3.29Å; L197-S202 WeakPolarHBondContact CA-OG 3.29Å; L197-S202 WeakPolarHBondContact CD2-OG 3.46Å; T198-S202 PolarHBondContact N-OG 3.05Å; T198-S202 VanDerWaalsContact N-OG 3.09Å; G199-S202 PolarHBondContact N-OG 3.45Å; G199-S202 WeakPolarHBondContact O-CB 3.5Å; G199-S202 PolarHBondContact O-N 3.03Å; G199-S202 VanDerWaalsContact O-N 3.16Å; G199-S202 PolarHBondContact O-OG 3.02Å; F200-S202 PolarHBondContact O-N 2.99Å; S202-A204 VanDerWaalsContact C-N 3.26Å |
| 203 | L | 92.3 | Very high | 90.4 | Very high | 113 Ų | 113 | 48.1 Ų | 48.1 | 59% | 0.592 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -73.2 | -20.3 | 174 | -63 | 172.5 | 0 | 0 | 0 | 112.7 | L197 F200 S201 | L197-L203 HydrophobicContact CD1-CD2 3.88Å; L197-L203 HydrophobicContact CD2-CD2 3.73Å; L197-L203 HydrophobicContact CD2-CG 4.49Å; L197-L203 HydrophobicContact CG-CD2 4.47Å; F200-L203 HydrophobicContact CD2-CD1 4.19Å; F200-L203 HydrophobicContact CE2-CD1 4.41Å; F200-L203 WeakPolarHBondContact O-CB 3.3Å; F200-L203 PolarHBondContact O-N 3.05Å; S201-L203 PolarHBondContact O-N 3.22Å |
| 204 | A | 91.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 48 Ų | 48 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -77.1 | 147.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S201 S202 I208 R209 | S201-A204 VanDerWaalsContact O-CB 3.27Å; S201-A204 WeakPolarHBondContact O-CB 3.45Å; S201-A204 PolarHBondContact O-N 3.22Å; S202-A204 VanDerWaalsContact C-N 3.26Å; A204-I208 HydrophobicContact CB-CD1 3.85Å; A204-I208 HydrophobicContact CB-CG1 3.86Å; A204-R209 HydrophobicContact CB-CG 3.93Å; A204-R209 WeakPolarHBondContact O-CD 3.09Å; A204-R209 PolarHBondContact O-NH1 3.01Å |
| 205 | P | 89.8 | Confident | 89.7 | Confident | 47 Ų | 47 | 47.1 Ų | 47.1 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | trans | -53 | 143.2 | 171.4 | -27 | 34.4 | 0 | 0 | 0 | 112.3 | D160 I207 I208 R209 | D160-P205 HydrophobicContact CB-CB 4.37Å; D160-P205 WeakPolarHBondContact OD2-CB 3.31Å; D160-P205 WeakPolarHBondContact OD2-CG 3.03Å; P205-I207 PolarHBondContact O-N 3.5Å; P205-I208 HydrophobicContact CB-CG1 4.41Å; P205-I208 WeakPolarHBondContact O-CG1 3.48Å; P205-I208 PolarHBondContact O-N 3.16Å; P205-R209 PolarHBondContact O-N 3.43Å | ||
| 206 | G | 89.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -55.8 | -33.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C70 I208 R209 G214 A215 | C70-G206 PolarHBondContact O-N 3.05Å; G206-I208 PolarHBondContact O-N 3.41Å; G206-R209 VanDerWaalsContact CA-CZ 3.49Å; G206-R209 VanDerWaalsContact CA-NH1 3.29Å; G206-R209 PolarHBondContact O-N 2.95Å; G206-G214 CarbonylContact O-C 3.6Å; G206-G214 WeakPolarHBondContact O-CA 3.32Å; G206-A215 PolarHBondContact O-N 3.2Å |
| 207 | I | 87.9 | Confident | 87.6 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 33% | 0.328 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -67.9 | -20.4 | -178.6 | -159.2 | 62.8 | 0 | 0 | 0 | 113.9 | D160 C161 P205 A215 L218 | D160-I207 HydrophobicContact CB-CG2 3.91Å; C161-I207 HydrophobicContact CB-CD1 4.45Å; P205-I207 PolarHBondContact O-N 3.5Å; I207-A215 HydrophobicContact CD1-CB 4.27Å; I207-A215 WeakPolarHBondContact O-CB 3.35Å; I207-L218 HydrophobicContact CD1-CD1 4.04Å |
| 208 | I | 88.7 | Confident | 86.5 | Confident | 112 Ų | 112 | 58.9 Ų | 58.9 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -104.6 | -2.5 | 177 | 65.7 | 167.6 | 0 | 0 | 0 | 113 | A204 P205 G206 | A204-I208 HydrophobicContact CB-CD1 3.85Å; A204-I208 HydrophobicContact CB-CG1 3.86Å; P205-I208 HydrophobicContact CB-CG1 4.41Å; P205-I208 WeakPolarHBondContact O-CG1 3.48Å; P205-I208 PolarHBondContact O-N 3.16Å; G206-I208 PolarHBondContact O-N 3.41Å |
| 209 | R | 90.7 | Very high | 85.4 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | trans | -81.7 | 127.2 | 176.1 | -68.1 | -163.4 | -46.7 | -92.9 | -2.4 | 110.3 | D69 S201 A204 P205 G206 D211 S213 G214 A215 G216 | D69-R209 PolarHBondContact O-NH1 2.78Å; D69-R209 PolarHBondContact O-NH2 3.36Å; S201-R209 WeakPolarHBondContact O-CD 3Å; S201-R209 WeakPolarHBondContact O-CG 3.39Å; A204-R209 HydrophobicContact CB-CG 3.93Å; A204-R209 WeakPolarHBondContact O-CD 3.09Å; A204-R209 PolarHBondContact O-NH1 3.01Å; P205-R209 PolarHBondContact O-N 3.43Å; G206-R209 VanDerWaalsContact CA-CZ 3.49Å; G206-R209 VanDerWaalsContact CA-NH1 3.29Å; G206-R209 PolarHBondContact O-N 2.95Å; R209-D211 VanDerWaalsContact C-N 3.32Å; R209-S213 PolarHBondContact NE-OG 2.96Å; R209-S213 VanDerWaalsContact NE-OG 3.1Å; R209-S213 PolarHBondContact NH2-O 2.93Å; R209-S213 PolarHBondContact NH2-OG 2.5Å; R209-G214 CarbonylContact O-C 3.57Å; R209-G214 WeakPolarHBondContact O-CA 3.34Å; R209-A215 PolarHBondContact O-N 3.26Å; R209-G216 PolarHBondContact O-N 3.44Å; R209-G216 VanDerWaalsContact O-N 3.1Å | ||
| 210 | M | 85.1 | Confident | 84.9 | Confident | 156 Ų | 156 | 62.8 Ų | 62.8 | 77% | 0.768 | 34% | 0.341 | S | S | * | . | trans | -84.3 | -4.9 | -179.9 | -58.5 | -60.8 | -78.5 | 0 | 0 | 113.5 | G216 | M210-G216 VanDerWaalsContact O-CA 3.26Å; M210-G216 WeakPolarHBondContact O-CA 3.38Å | ||
| 211 | D | 87.4 | Confident | 84.3 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -83.7 | 173.7 | 175.2 | 67.5 | 56.5 | 0 | 0 | 0 | 112.1 | R209 S213 G214 G216 | R209-D211 VanDerWaalsContact C-N 3.32Å; D211-S213 PolarHBondContact O-N 2.97Å; D211-S213 WeakPolarHBondContact OD1-CA 3.37Å; D211-S213 WeakPolarHBondContact OD1-CB 3.47Å; D211-S213 PolarHBondContact OD1-N 2.95Å; D211-S213 PolarHBondContact OD1-OG 2.89Å; D211-G214 PolarHBondContact O-N 3.1Å; D211-G214 PolarHBondContact OD1-N 2.8Å; D211-G216 PolarHBondContact O-N 3.45Å |
| 212 | T | 87.2 | Confident | 83.8 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.1 | -176.8 | 59 | 0 | 0 | 0 | 0 | 114.5 | G182 K183 P184 G214 | G182-T212 WeakPolarHBondContact O-CB 3.17Å; G182-T212 PolarHBondContact O-OG1 3.31Å; K183-T212 WeakPolarHBondContact CD-O 3.31Å; K183-T212 PolarHBondContact NZ-O 3.04Å; P184-T212 WeakPolarHBondContact CD-OG1 3.22Å; T212-G214 VanDerWaalsContact C-N 3.34Å |
| 213 | S | 89.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -24.4 | 169.4 | 78.8 | 0 | 0 | 0 | 0 | 112.4 | D69 R209 D211 | D69-S213 WeakPolarHBondContact CB-O 3.46Å; D69-S213 PolarHBondContact N-O 3.47Å; D69-S213 WeakPolarHBondContact OD2-CB 3.47Å; R209-S213 PolarHBondContact NE-OG 2.96Å; R209-S213 VanDerWaalsContact NE-OG 3.1Å; R209-S213 PolarHBondContact NH2-O 2.93Å; R209-S213 PolarHBondContact NH2-OG 2.5Å; D211-S213 PolarHBondContact O-N 2.97Å; D211-S213 WeakPolarHBondContact OD1-CA 3.37Å; D211-S213 WeakPolarHBondContact OD1-CB 3.47Å; D211-S213 PolarHBondContact OD1-N 2.95Å; D211-S213 PolarHBondContact OD1-OG 2.89Å |
| 214 | G | 88.5 | Confident | 82.6 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -149.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | G206 R209 D211 T212 G216 | G206-G214 CarbonylContact O-C 3.6Å; G206-G214 WeakPolarHBondContact O-CA 3.32Å; R209-G214 CarbonylContact O-C 3.57Å; R209-G214 WeakPolarHBondContact O-CA 3.34Å; D211-G214 PolarHBondContact O-N 3.1Å; D211-G214 PolarHBondContact OD1-N 2.8Å; T212-G214 VanDerWaalsContact C-N 3.34Å; G214-G216 PolarHBondContact O-N 3.41Å |
| 215 | A | 81.4 | Confident | 82.1 | Confident | 21 Ų | 21 | 73.4 Ų | 73.4 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -74.2 | -9.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | G206 I207 R209 K217 L218 | G206-A215 PolarHBondContact O-N 3.2Å; I207-A215 HydrophobicContact CD1-CB 4.27Å; I207-A215 WeakPolarHBondContact O-CB 3.35Å; R209-A215 PolarHBondContact O-N 3.26Å; A215-K217 PolarHBondContact O-N 2.63Å; A215-L218 HydrophobicContact CB-CD1 3.85Å; A215-L218 HydrophobicContact CB-CG 4.41Å; A215-L218 WeakPolarHBondContact O-CB 3.27Å; A215-L218 PolarHBondContact O-N 3.21Å |
| 216 | G | 72.8 | Confident | 81.9 | Confident | 28 Ų | 28 | 77 Ų | 77 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -54.3 | -24.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R209 M210 D211 G214 | R209-G216 PolarHBondContact O-N 3.44Å; R209-G216 VanDerWaalsContact O-N 3.1Å; M210-G216 VanDerWaalsContact O-CA 3.26Å; M210-G216 WeakPolarHBondContact O-CA 3.38Å; D211-G216 PolarHBondContact O-N 3.45Å; G214-G216 PolarHBondContact O-N 3.41Å |
| 217 | K | 69.9 | Low | 81.7 | Confident | 165 Ų | 165 | 78.9 Ų | 78.9 | 72% | 0.717 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -103.4 | -1.9 | 176.6 | -156.1 | -176.6 | 175.7 | -178.1 | 0 | 113.8 | A215 L219 | A215-K217 PolarHBondContact O-N 2.63Å; K217-L219 VanDerWaalsContact C-N 3.29Å |
| 218 | L | 69.7 | Low | 81.7 | Confident | 76 Ų | 76 | 77 Ų | 77 | 40% | 0.398 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -25.8 | -178.2 | -70.9 | 179.2 | 0 | 0 | 0 | 112.5 | V68 I207 A215 | V68-L218 HydrophobicContact CG2-CD1 3.99Å; V68-L218 HydrophobicContact CG2-CD2 3.81Å; V68-L218 HydrophobicContact CG2-CG 4.02Å; I207-L218 HydrophobicContact CD1-CD1 4.04Å; A215-L218 HydrophobicContact CB-CD1 3.85Å; A215-L218 HydrophobicContact CB-CG 4.41Å; A215-L218 WeakPolarHBondContact O-CB 3.27Å; A215-L218 PolarHBondContact O-N 3.21Å |
| 219 | L | 69.9 | Low | 81.6 | Confident | 101 Ų | 101 | 73.5 Ų | 73.5 | 53% | 0.529 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -104.3 | 129.8 | 176.4 | -61.5 | 172.9 | 0 | 0 | 0 | 109 | K217 E223 M224 | K217-L219 VanDerWaalsContact C-N 3.29Å; L219-E223 WeakPolarHBondContact CA-OE2 3.49Å; L219-E223 HydrophobicContact CB-CB 4.24Å; L219-E223 HydrophobicContact CD2-CB 4.2Å; L219-M224 HydrophobicContact CB-CG 3.74Å; L219-M224 HydrophobicContact CD1-CG 4.19Å |
| 220 | S | 77.9 | Confident | 81.3 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | trans | -66.3 | 159.2 | 166.6 | 74.9 | 0 | 0 | 0 | 0 | 110.5 | E222 E223 M224 | S220-E222 PolarHBondContact O-N 2.82Å; S220-E222 PolarHBondContact OG-N 3.24Å; S220-E223 PolarHBondContact N-OE2 2.95Å; S220-E223 WeakPolarHBondContact O-CA 3.49Å; S220-E223 WeakPolarHBondContact O-CB 3.3Å; S220-E223 PolarHBondContact O-N 3.33Å; S220-E223 WeakPolarHBondContact OG-CG 3.43Å; S220-E223 PolarHBondContact OG-N 2.82Å; S220-M224 PolarHBondContact O-N 3.43Å | ||
| 221 | E | 78.3 | Confident | 81.4 | Confident | 158 Ų | 158 | 68.3 Ų | 68.3 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.6 | -33.3 | 173.4 | -174.6 | 169.7 | -167.1 | 0 | 0 | 111.5 | N225 | E221-N225 WeakPolarHBondContact CG-ND2 3.37Å; E221-N225 WeakPolarHBondContact O-CB 3.48Å; E221-N225 PolarHBondContact O-N 2.71Å; E221-N225 VanDerWaalsContact O-N 3.08Å; E221-N225 PolarHBondContact O-ND2 3.01Å |
| 222 | E | 81 | Confident | 81.4 | Confident | 151 Ų | 151 | 68 Ų | 68 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 171.9 | -62.3 | -179.1 | 171.4 | 0 | 0 | 111.5 | S220 N225 K226 | S220-E222 PolarHBondContact O-N 2.82Å; S220-E222 PolarHBondContact OG-N 3.24Å; E222-N225 CarbonylContact O-C 3.52Å; E222-N225 PolarHBondContact O-N 2.79Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 3.01Å |
| 223 | E | 81.1 | Confident | 81.3 | Confident | 87 Ų | 87 | 70.1 Ų | 70.1 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 177.8 | -75.6 | 172.4 | 148.3 | 0 | 0 | 113.1 | L219 S220 N225 K226 | L219-E223 WeakPolarHBondContact CA-OE2 3.49Å; L219-E223 HydrophobicContact CB-CB 4.24Å; L219-E223 HydrophobicContact CD2-CB 4.2Å; S220-E223 PolarHBondContact N-OE2 2.95Å; S220-E223 WeakPolarHBondContact O-CA 3.49Å; S220-E223 WeakPolarHBondContact O-CB 3.3Å; S220-E223 PolarHBondContact O-N 3.33Å; S220-E223 WeakPolarHBondContact OG-CG 3.43Å; S220-E223 PolarHBondContact OG-N 2.82Å; E223-N225 VanDerWaalsContact C-N 3.28Å; E223-N225 PolarHBondContact O-N 2.97Å; E223-K226 HydrophobicContact CG-CD 4.38Å; E223-K226 PolarHBondContact O-N 3.09Å |
| 224 | M | 78 | Confident | 81.2 | Confident | 117 Ų | 117 | 74 Ų | 74 | 58% | 0.576 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65 | -32.9 | 174.5 | -72.7 | -174.9 | 52.5 | 0 | 0 | 112.5 | L219 S220 | L219-M224 HydrophobicContact CB-CG 3.74Å; L219-M224 HydrophobicContact CD1-CG 4.19Å; S220-M224 PolarHBondContact O-N 3.43Å |
| 225 | N | 81 | Confident | 81.1 | Confident | 106 Ų | 106 | 80.3 Ų | 80.3 | 57% | 0.567 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 3.1 | -178.3 | -69.2 | -42.8 | 0 | 0 | 0 | 114.1 | E221 E222 E223 | E221-N225 WeakPolarHBondContact CG-ND2 3.37Å; E221-N225 WeakPolarHBondContact O-CB 3.48Å; E221-N225 PolarHBondContact O-N 2.71Å; E221-N225 VanDerWaalsContact O-N 3.08Å; E221-N225 PolarHBondContact O-ND2 3.01Å; E222-N225 CarbonylContact O-C 3.52Å; E222-N225 PolarHBondContact O-N 2.79Å; E223-N225 VanDerWaalsContact C-N 3.28Å; E223-N225 PolarHBondContact O-N 2.97Å |
| 226 | K | 83.7 | Confident | 81.5 | Confident | 122 Ų | 122 | 83.2 Ų | 83.2 | 53% | 0.53 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 136.9 | 174.5 | -86.1 | 167.3 | -160.8 | 177.1 | 0 | 109.6 | E222 E223 | E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 3.01Å; E223-K226 HydrophobicContact CG-CD 4.38Å; E223-K226 PolarHBondContact O-N 3.09Å |
| 227 | S | 85.5 | Confident | 82.3 | Confident | 41 Ų | 41 | 83.7 Ų | 83.7 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 150.5 | 173 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | T229 | S227-T229 WeakPolarHBondContact O-CG2 3.48Å; S227-T229 PolarHBondContact O-N 3.07Å |
| 228 | I | 88.2 | Confident | 83.2 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 13% | 0.128 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 132 | 179.3 | -59.7 | 160.3 | 0 | 0 | 0 | 108.4 | D232 L236 R237 T240 V243 E259 E262 | I228-D232 HydrophobicContact CG2-CB 4.48Å; I228-L236 HydrophobicContact CG2-CB 4.19Å; I228-R237 HydrophobicContact CG2-CG 3.98Å; I228-T240 HydrophobicContact CB-CG2 3.62Å; I228-T240 HydrophobicContact CD1-CG2 3.81Å; I228-T240 HydrophobicContact CG1-CG2 4.33Å; I228-T240 HydrophobicContact CG2-CG2 3.44Å; I228-T240 VanDerWaalsContact CG2-CG2 3.44Å; I228-V243 HydrophobicContact CD1-CG2 4.23Å; I228-E259 PolarHBondContact N-OE2 3.3Å; I228-E259 VanDerWaalsContact N-OE2 3.14Å; I228-E262 HydrophobicContact CG2-CG 4.46Å; I228-E262 WeakPolarHBondContact O-CB 3.48Å |
| 229 | T | 86.7 | Confident | 84.2 | Confident | 38 Ų | 38 | 80.1 Ų | 80.1 | 23% | 0.233 | 42% | 0.415 | C | S | . | . | trans | -120.6 | 168.2 | -175.6 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | S227 V231 D232 R237 R292 | S227-T229 WeakPolarHBondContact O-CG2 3.48Å; S227-T229 PolarHBondContact O-N 3.07Å; T229-V231 PolarHBondContact O-N 3.48Å; T229-V231 VanDerWaalsContact O-N 3.13Å; T229-V231 VanDerWaalsContact OG1-CG2 3.23Å; T229-V231 WeakPolarHBondContact OG1-CG2 3.19Å; T229-D232 WeakPolarHBondContact CA-OD2 3.14Å; T229-D232 WeakPolarHBondContact CB-OD2 3.43Å; T229-D232 PolarHBondContact N-OD2 2.7Å; T229-D232 PolarHBondContact O-N 2.82Å; T229-D232 VanDerWaalsContact O-N 3.11Å; T229-D232 PolarHBondContact OG1-OD2 3.18Å; T229-R237 WeakPolarHBondContact O-CD 3.4Å; T229-R237 WeakPolarHBondContact O-CG 3.2Å; T229-R292 PolarHBondContact OG1-NH2 3.42Å | ||
| 230 | S | 85.5 | Confident | 85.3 | Confident | 11 Ų | 11 | 75.4 Ų | 75.4 | 8% | 0.077 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.8 | -179.5 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | R237 E262 E284 R285 | S230-R237 WeakPolarHBondContact O-CD 3.22Å; S230-R237 PolarHBondContact O-NH1 2.95Å; S230-R237 VanDerWaalsContact O-NH1 3.1Å; S230-E262 PolarHBondContact N-OE2 2.9Å; S230-E284 PolarHBondContact OG-O 3.19Å; S230-R285 VanDerWaalsContact O-CG 3.25Å; S230-R285 WeakPolarHBondContact O-CG 3.45Å |
| 231 | V | 86 | Confident | 85.9 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 24% | 0.242 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -8 | -178.9 | -69.3 | 0 | 0 | 0 | 0 | 114 | T229 R285 A288 K289 R292 | T229-V231 PolarHBondContact O-N 3.48Å; T229-V231 VanDerWaalsContact O-N 3.13Å; T229-V231 VanDerWaalsContact OG1-CG2 3.23Å; T229-V231 WeakPolarHBondContact OG1-CG2 3.19Å; V231-R285 WeakPolarHBondContact CG1-O 3.21Å; V231-A288 HydrophobicContact CB-CB 4.49Å; V231-A288 HydrophobicContact CG1-CB 3.51Å; V231-A288 HydrophobicContact CG2-CB 4.22Å; V231-K289 HydrophobicContact CG1-CG 3.98Å; V231-R292 VanDerWaalsContact CG2-CZ 3.42Å |
| 232 | D | 87.3 | Confident | 86.6 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -76 | 166.1 | 178.5 | -62 | -44.6 | 0 | 0 | 0 | 111.3 | I228 T229 L236 R237 R292 | I228-D232 HydrophobicContact CG2-CB 4.48Å; T229-D232 WeakPolarHBondContact CA-OD2 3.14Å; T229-D232 WeakPolarHBondContact CB-OD2 3.43Å; T229-D232 PolarHBondContact N-OD2 2.7Å; T229-D232 PolarHBondContact O-N 2.82Å; T229-D232 VanDerWaalsContact O-N 3.11Å; T229-D232 PolarHBondContact OG1-OD2 3.18Å; D232-L236 HydrophobicContact CB-CB 4.44Å; D232-L236 HydrophobicContact CB-CD1 4.23Å; D232-R237 PolarHBondContact O-NE 3.17Å; D232-R237 VanDerWaalsContact O-NE 3.09Å; D232-R292 IonicContact OD1-CZ 2.73Å; D232-R292 IonicContact OD1-NH1 2.74Å; D232-R292 PolarHBondContact OD1-NH1 3.38Å; D232-R292 IonicContact OD1-NH2 3.7Å; D232-R292 PolarHBondContact OD1-NH2 3.4Å; D232-R292 IonicContact OD2-NH2 3.95Å; D232-R292 PolarHBondContact OD2-NH2 3.39Å |
| 233 | N | 85.8 | Confident | 87.1 | Confident | 101 Ų | 101 | 66 Ų | 66 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | trans | -54.4 | 138.6 | -176.7 | -170.8 | -68.1 | 0 | 0 | 0 | 110.5 | F235 L236 R237 | N233-F235 PolarHBondContact O-N 3.08Å; N233-F235 WeakPolarHBondContact OD1-CB 3.29Å; N233-F235 PolarHBondContact OD1-N 2.58Å; N233-L236 PolarHBondContact O-N 3.39Å; N233-R237 PolarHBondContact O-N 3Å; N233-R237 VanDerWaalsContact O-N 3.12Å | ||
| 234 | P | 86.6 | Confident | 87.7 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 53% | 0.532 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -44.8 | -36.2 | 174 | -26.2 | 29 | 0 | 0 | 0 | 114.5 | R237 S238 | P234-R237 PolarHBondContact O-N 3.24Å; P234-S238 PolarHBondContact O-N 3.1Å |
| 235 | F | 87.8 | Confident | 88.5 | Confident | 134 Ų | 134 | 61.2 Ų | 61.2 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 176.1 | -178.4 | -93.1 | 0 | 0 | 0 | 113.1 | N233 S238 H239 | N233-F235 PolarHBondContact O-N 3.08Å; N233-F235 WeakPolarHBondContact OD1-CB 3.29Å; N233-F235 PolarHBondContact OD1-N 2.58Å; F235-S238 PolarHBondContact O-OG 3.15Å; F235-H239 AromaticContact CD2-CE1 4Å; F235-H239 AromaticContact CE1-CE1 3.76Å; F235-H239 AromaticContact CE2-CE1 3.51Å; F235-H239 AromaticContact CZ-CE1 3.37Å; F235-H239 WeakPolarHBondContact CZ-CE1 3.36Å; F235-H239 PolarHBondContact O-ND1 2.69Å |
| 236 | L | 88.6 | Confident | 89.1 | Confident | 83 Ų | 83 | 63.6 Ų | 63.6 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 175.9 | -69.1 | 175.3 | 0 | 0 | 0 | 110.2 | I228 D232 N233 S238 H239 | I228-L236 HydrophobicContact CG2-CB 4.19Å; D232-L236 HydrophobicContact CB-CB 4.44Å; D232-L236 HydrophobicContact CB-CD1 4.23Å; N233-L236 PolarHBondContact O-N 3.39Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 3.21Å; L236-H239 PolarHBondContact O-N 3.34Å |
| 237 | R | 89.6 | Confident | 89.5 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 178.9 | -68.1 | -175.6 | -63.7 | 158.1 | 9.4 | 112.2 | I228 T229 S230 D232 N233 P234 H239 T240 E262 Q266 | I228-R237 HydrophobicContact CG2-CG 3.98Å; T229-R237 WeakPolarHBondContact O-CD 3.4Å; T229-R237 WeakPolarHBondContact O-CG 3.2Å; S230-R237 WeakPolarHBondContact O-CD 3.22Å; S230-R237 PolarHBondContact O-NH1 2.95Å; S230-R237 VanDerWaalsContact O-NH1 3.1Å; D232-R237 PolarHBondContact O-NE 3.17Å; D232-R237 VanDerWaalsContact O-NE 3.09Å; N233-R237 PolarHBondContact O-N 3Å; N233-R237 VanDerWaalsContact O-N 3.12Å; P234-R237 PolarHBondContact O-N 3.24Å; R237-H239 PolarHBondContact O-N 3.24Å; R237-H239 VanDerWaalsContact O-N 3.08Å; R237-T240 WeakPolarHBondContact O-CB 3.5Å; R237-T240 VanDerWaalsContact O-CG2 3.25Å; R237-T240 WeakPolarHBondContact O-CG2 3.4Å; R237-T240 PolarHBondContact O-N 3.09Å; R237-T240 VanDerWaalsContact O-N 3.12Å; R237-T240 PolarHBondContact O-OG1 3.35Å; R237-E262 WeakPolarHBondContact CD-OE1 3.47Å; R237-Q266 PolarHBondContact O-NE2 2.77Å; R237-Q266 PolarHBondContact O-OE1 3.19Å |
| 238 | S | 89.1 | Confident | 90 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -18.3 | 178.4 | 69.7 | 0 | 0 | 0 | 0 | 114.1 | P234 F235 L236 | P234-S238 PolarHBondContact O-N 3.1Å; F235-S238 PolarHBondContact O-OG 3.15Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 3.21Å |
| 239 | H | 91.3 | Very high | 90.3 | Very high | 90 Ų | 90 | 63.1 Ų | 63.1 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.7 | 179.4 | -68.5 | 81.1 | 0 | 0 | 0 | 113.6 | F235 L236 R237 Q241 G242 V243 | F235-H239 AromaticContact CD2-CE1 4Å; F235-H239 AromaticContact CE1-CE1 3.76Å; F235-H239 AromaticContact CE2-CE1 3.51Å; F235-H239 AromaticContact CZ-CE1 3.37Å; F235-H239 WeakPolarHBondContact CZ-CE1 3.36Å; F235-H239 PolarHBondContact O-ND1 2.69Å; L236-H239 PolarHBondContact O-N 3.34Å; R237-H239 PolarHBondContact O-N 3.24Å; R237-H239 VanDerWaalsContact O-N 3.08Å; H239-Q241 VanDerWaalsContact C-N 3.3Å; H239-Q241 PolarHBondContact O-N 2.9Å; H239-G242 PolarHBondContact O-N 2.83Å; H239-V243 WeakPolarHBondContact O-CG2 3.35Å; H239-V243 PolarHBondContact O-N 3.32Å |
| 240 | T | 91.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.3 | -43 | -176.8 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | I228 R237 G242 V243 F244 E262 Q266 | I228-T240 HydrophobicContact CB-CG2 3.62Å; I228-T240 HydrophobicContact CD1-CG2 3.81Å; I228-T240 HydrophobicContact CG1-CG2 4.33Å; I228-T240 HydrophobicContact CG2-CG2 3.44Å; I228-T240 VanDerWaalsContact CG2-CG2 3.44Å; R237-T240 WeakPolarHBondContact O-CB 3.5Å; R237-T240 VanDerWaalsContact O-CG2 3.25Å; R237-T240 WeakPolarHBondContact O-CG2 3.4Å; R237-T240 PolarHBondContact O-N 3.09Å; R237-T240 VanDerWaalsContact O-N 3.12Å; R237-T240 PolarHBondContact O-OG1 3.35Å; T240-G242 PolarHBondContact O-N 2.79Å; T240-V243 PolarHBondContact O-N 2.75Å; T240-F244 VanDerWaalsContact O-CB 3.3Å; T240-F244 WeakPolarHBondContact O-CB 3.42Å; T240-F244 PolarHBondContact O-N 2.73Å; T240-E262 HydrophobicContact CG2-CB 4.19Å; T240-E262 HydrophobicContact CG2-CG 3.63Å; T240-Q266 PolarHBondContact OG1-NE2 3.49Å |
| 241 | Q | 92 | Very high | 91.1 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 177.2 | -175.1 | 68 | 56.7 | 0 | 0 | 112 | H239 F244 N245 | H239-Q241 VanDerWaalsContact C-N 3.3Å; H239-Q241 PolarHBondContact O-N 2.9Å; Q241-F244 PolarHBondContact O-N 2.97Å; Q241-N245 PolarHBondContact NE2-OD1 3.25Å; Q241-N245 WeakPolarHBondContact O-CB 3.33Å; Q241-N245 PolarHBondContact O-N 3.46Å; Q241-N245 PolarHBondContact O-ND2 3.41Å; Q241-N245 PolarHBondContact O-OD1 2.95Å |
| 242 | G | 92.7 | Very high | 91.4 | Very high | 46 Ų | 46 | 72.2 Ų | 72.2 | 47% | 0.474 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | H239 T240 N245 Y246 | H239-G242 PolarHBondContact O-N 2.83Å; T240-G242 PolarHBondContact O-N 2.79Å; G242-N245 PolarHBondContact O-N 3.1Å; G242-Y246 WeakPolarHBondContact O-CB 3.41Å; G242-Y246 PolarHBondContact O-N 3.03Å |
| 243 | V | 91.2 | Very high | 91.7 | Very high | 47 Ų | 47 | 76.1 Ų | 76.1 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.6 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | I228 H239 T240 Y246 K247 E259 | I228-V243 HydrophobicContact CD1-CG2 4.23Å; H239-V243 WeakPolarHBondContact O-CG2 3.35Å; H239-V243 PolarHBondContact O-N 3.32Å; T240-V243 PolarHBondContact O-N 2.75Å; V243-Y246 PolarHBondContact O-N 3.47Å; V243-K247 HydrophobicContact CG1-CD 4.38Å; V243-K247 WeakPolarHBondContact O-CG 3.28Å; V243-K247 PolarHBondContact O-N 2.81Å; V243-E259 HydrophobicContact CG1-CG 4.01Å |
| 244 | F | 93.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 79.2 Ų | 79.2 | 10% | 0.101 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 176.2 | 175.2 | -100.5 | 0 | 0 | 0 | 112 | T240 Q241 Y246 K247 L248 A256 E259 R260 V263 | T240-F244 VanDerWaalsContact O-CB 3.3Å; T240-F244 WeakPolarHBondContact O-CB 3.42Å; T240-F244 PolarHBondContact O-N 2.73Å; Q241-F244 PolarHBondContact O-N 2.97Å; F244-Y246 VanDerWaalsContact C-N 3.34Å; F244-Y246 PolarHBondContact O-N 3.38Å; F244-K247 PolarHBondContact O-N 3.46Å; F244-L248 HydrophobicContact CD1-CD1 4.05Å; F244-L248 HydrophobicContact CE1-CD1 3.43Å; F244-L248 VanDerWaalsContact CE1-CD1 3.43Å; F244-L248 HydrophobicContact CE1-CG 4.31Å; F244-L248 HydrophobicContact CE2-CD1 4.46Å; F244-L248 HydrophobicContact CZ-CD1 3.68Å; F244-L248 HydrophobicContact CZ-CG 4.26Å; F244-L248 PolarHBondContact O-N 2.85Å; F244-A256 HydrophobicContact CD2-CB 4.05Å; F244-A256 VanDerWaalsContact CD2-O 3.25Å; F244-A256 WeakPolarHBondContact CD2-O 3.11Å; F244-A256 HydrophobicContact CE2-CB 3.94Å; F244-A256 WeakPolarHBondContact CE2-O 3.36Å; F244-E259 HydrophobicContact CB-CB 4.26Å; F244-E259 HydrophobicContact CD2-CB 4.41Å; F244-R260 HydrophobicContact CE2-CB 4.16Å; F244-V263 HydrophobicContact CB-CG2 3.84Å; F244-V263 HydrophobicContact CG-CG2 4.27Å |
| 245 | N | 94.7 | Very high | 92 | Very high | 81 Ų | 81 | 75.6 Ų | 75.6 | 43% | 0.433 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 178.4 | -69.3 | -7.1 | 0 | 0 | 0 | 112 | Q241 G242 L248 A249 | Q241-N245 PolarHBondContact NE2-OD1 3.25Å; Q241-N245 WeakPolarHBondContact O-CB 3.33Å; Q241-N245 PolarHBondContact O-N 3.46Å; Q241-N245 PolarHBondContact O-ND2 3.41Å; Q241-N245 PolarHBondContact O-OD1 2.95Å; G242-N245 PolarHBondContact O-N 3.1Å; N245-L248 PolarHBondContact O-N 2.84Å; N245-A249 WeakPolarHBondContact O-CB 3.23Å; N245-A249 PolarHBondContact O-N 3.48Å |
| 246 | Y | 93.7 | Very high | 92.1 | Very high | 157 Ų | 157 | 69.2 Ų | 69.2 | 62% | 0.616 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.8 | -46.5 | 174.8 | 171.1 | -97.2 | 0 | 0 | 0 | 111.6 | G242 V243 F244 L248 A249 V250 | G242-Y246 WeakPolarHBondContact O-CB 3.41Å; G242-Y246 PolarHBondContact O-N 3.03Å; V243-Y246 PolarHBondContact O-N 3.47Å; F244-Y246 VanDerWaalsContact C-N 3.34Å; F244-Y246 PolarHBondContact O-N 3.38Å; Y246-L248 VanDerWaalsContact C-N 3.33Å; Y246-L248 PolarHBondContact O-N 3.35Å; Y246-A249 WeakPolarHBondContact O-CB 3.45Å; Y246-A249 PolarHBondContact O-N 2.83Å; Y246-V250 HydrophobicContact CD2-CG1 4.39Å; Y246-V250 HydrophobicContact CE1-CG1 4.23Å; Y246-V250 HydrophobicContact CE1-CG2 4.2Å; Y246-V250 HydrophobicContact CE2-CG1 3.83Å; Y246-V250 WeakPolarHBondContact O-CG2 3.49Å; Y246-V250 PolarHBondContact O-N 3.3Å |
| 247 | K | 93.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 178.8 | -70.8 | -173.2 | -171.8 | -178.4 | 0 | 112.3 | V243 F244 V250 N251 D252 G255 A256 E259 | V243-K247 HydrophobicContact CG1-CD 4.38Å; V243-K247 WeakPolarHBondContact O-CG 3.28Å; V243-K247 PolarHBondContact O-N 2.81Å; F244-K247 PolarHBondContact O-N 3.46Å; K247-V250 WeakPolarHBondContact O-CG2 3.42Å; K247-V250 PolarHBondContact O-N 3.33Å; K247-N251 PolarHBondContact O-N 3.43Å; K247-D252 HydrophobicContact CB-CB 4.37Å; K247-D252 PolarHBondContact O-N 2.99Å; K247-G255 VanDerWaalsContact CD-O 3.27Å; K247-G255 WeakPolarHBondContact CD-O 3.42Å; K247-G255 PolarHBondContact NZ-O 2.93Å; K247-A256 HydrophobicContact CB-CB 4.01Å; K247-E259 HydrophobicContact CD-CG 4.15Å; K247-E259 VanDerWaalsContact NZ-CG 3.31Å; K247-E259 IonicContact NZ-OE1 2.77Å; K247-E259 PolarHBondContact NZ-OE1 3.06Å |
| 248 | L | 94.3 | Very high | 92.1 | Very high | 63 Ų | 63 | 76.1 Ų | 76.1 | 33% | 0.33 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 171 | -71.2 | 176.6 | 0 | 0 | 0 | 111.9 | F244 N245 Y246 V250 N251 M253 A256 | F244-L248 HydrophobicContact CD1-CD1 4.05Å; F244-L248 HydrophobicContact CE1-CD1 3.43Å; F244-L248 VanDerWaalsContact CE1-CD1 3.43Å; F244-L248 HydrophobicContact CE1-CG 4.31Å; F244-L248 HydrophobicContact CE2-CD1 4.46Å; F244-L248 HydrophobicContact CZ-CD1 3.68Å; F244-L248 HydrophobicContact CZ-CG 4.26Å; F244-L248 PolarHBondContact O-N 2.85Å; N245-L248 PolarHBondContact O-N 2.84Å; Y246-L248 VanDerWaalsContact C-N 3.33Å; Y246-L248 PolarHBondContact O-N 3.35Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 3.17Å; L248-N251 PolarHBondContact O-N 3.12Å; L248-N251 VanDerWaalsContact O-N 3.11Å; L248-M253 HydrophobicContact CD2-CE 4.23Å; L248-M253 HydrophobicContact CD2-SD 4Å; L248-A256 HydrophobicContact CD2-CB 3.91Å; L248-A256 HydrophobicContact CG-CB 4.14Å |
| 249 | A | 95.2 | Very high | 92.1 | Very high | 81 Ų | 81 | 72.9 Ų | 72.9 | 67% | 0.669 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.4 | -31.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | N245 Y246 | N245-A249 WeakPolarHBondContact O-CB 3.23Å; N245-A249 PolarHBondContact O-N 3.48Å; Y246-A249 WeakPolarHBondContact O-CB 3.45Å; Y246-A249 PolarHBondContact O-N 2.83Å |
| 250 | V | 95 | Very high | 92 | Very high | 77 Ų | 77 | 72.4 Ų | 72.4 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 11.7 | 174.9 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | Y246 K247 L248 D252 | Y246-V250 HydrophobicContact CD2-CG1 4.39Å; Y246-V250 HydrophobicContact CE1-CG1 4.23Å; Y246-V250 HydrophobicContact CE1-CG2 4.2Å; Y246-V250 HydrophobicContact CE2-CG1 3.83Å; Y246-V250 WeakPolarHBondContact O-CG2 3.49Å; Y246-V250 PolarHBondContact O-N 3.3Å; K247-V250 WeakPolarHBondContact O-CG2 3.42Å; K247-V250 PolarHBondContact O-N 3.33Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 3.17Å; V250-D252 HydrophobicContact CG2-CB 4.11Å; V250-D252 PolarHBondContact O-N 2.77Å |
| 251 | N | 94.4 | Very high | 91.9 | Very high | 136 Ų | 136 | 78.8 Ų | 78.8 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.7 | -177.3 | -69.9 | -27.1 | 0 | 0 | 0 | 115.4 | K247 L248 M253 | K247-N251 PolarHBondContact O-N 3.43Å; L248-N251 PolarHBondContact O-N 3.12Å; L248-N251 VanDerWaalsContact O-N 3.11Å; N251-M253 PolarHBondContact O-N 3.36Å; N251-M253 VanDerWaalsContact O-N 3.11Å |
| 252 | D | 92.5 | Very high | 91.8 | Very high | 67 Ų | 67 | 75.7 Ų | 75.7 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | trans | -84.3 | 78.1 | 171.6 | 179.5 | 16.5 | 0 | 0 | 0 | 111 | K247 V250 K254 G255 A256 | K247-D252 HydrophobicContact CB-CB 4.37Å; K247-D252 PolarHBondContact O-N 2.99Å; V250-D252 HydrophobicContact CG2-CB 4.11Å; V250-D252 PolarHBondContact O-N 2.77Å; D252-K254 VanDerWaalsContact C-N 3.33Å; D252-K254 PolarHBondContact O-N 3.02Å; D252-K254 PolarHBondContact OD1-N 3.04Å; D252-G255 PolarHBondContact O-N 3.34Å; D252-G255 PolarHBondContact OD1-N 2.58Å; D252-G255 WeakPolarHBondContact OD2-CA 3.43Å; D252-A256 WeakPolarHBondContact O-CB 3.48Å; D252-A256 PolarHBondContact O-N 2.9Å | ||
| 253 | M | 92.3 | Very high | 91.6 | Very high | 115 Ų | 115 | 74 Ų | 74 | 57% | 0.567 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.1 | -36 | -179.1 | -61.5 | -55.6 | -66.2 | 0 | 0 | 112.8 | L248 N251 E257 | L248-M253 HydrophobicContact CD2-CE 4.23Å; L248-M253 HydrophobicContact CD2-SD 4Å; N251-M253 PolarHBondContact O-N 3.36Å; N251-M253 VanDerWaalsContact O-N 3.11Å; M253-E257 WeakPolarHBondContact O-CB 3.4Å; M253-E257 PolarHBondContact O-N 3.35Å |
| 254 | K | 91.3 | Very high | 91.6 | Very high | 166 Ų | 166 | 77.2 Ų | 77.2 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.8 | -43 | 179.5 | -73.7 | -175.6 | -179.4 | 178.8 | 0 | 110.9 | D252 R258 | D252-K254 VanDerWaalsContact C-N 3.33Å; D252-K254 PolarHBondContact O-N 3.02Å; D252-K254 PolarHBondContact OD1-N 3.04Å; K254-R258 WeakPolarHBondContact O-CG 3.38Å; K254-R258 PolarHBondContact O-N 3.19Å |
| 255 | G | 88 | Confident | 91.4 | Very high | 5 Ų | 5 | 76.4 Ų | 76.4 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70 | -36.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K247 D252 E257 R258 E259 | K247-G255 VanDerWaalsContact CD-O 3.27Å; K247-G255 WeakPolarHBondContact CD-O 3.42Å; K247-G255 PolarHBondContact NZ-O 2.93Å; D252-G255 PolarHBondContact O-N 3.34Å; D252-G255 PolarHBondContact OD1-N 2.58Å; D252-G255 WeakPolarHBondContact OD2-CA 3.43Å; G255-E257 VanDerWaalsContact C-N 3.34Å; G255-R258 PolarHBondContact O-N 3.16Å; G255-E259 PolarHBondContact O-N 3Å |
| 256 | A | 89.5 | Confident | 91.1 | Very high | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F244 K247 L248 D252 R258 E259 R260 | F244-A256 HydrophobicContact CD2-CB 4.05Å; F244-A256 VanDerWaalsContact CD2-O 3.25Å; F244-A256 WeakPolarHBondContact CD2-O 3.11Å; F244-A256 HydrophobicContact CE2-CB 3.94Å; F244-A256 WeakPolarHBondContact CE2-O 3.36Å; K247-A256 HydrophobicContact CB-CB 4.01Å; L248-A256 HydrophobicContact CD2-CB 3.91Å; L248-A256 HydrophobicContact CG-CB 4.14Å; D252-A256 WeakPolarHBondContact O-CB 3.48Å; D252-A256 PolarHBondContact O-N 2.9Å; A256-R258 VanDerWaalsContact C-N 3.28Å; A256-R258 PolarHBondContact O-N 3.16Å; A256-E259 PolarHBondContact O-N 3.14Å; A256-E259 VanDerWaalsContact O-N 3.13Å; A256-R260 PolarHBondContact O-N 2.96Å |
| 257 | E | 91.1 | Very high | 90.9 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -36.4 | 177.7 | -166 | 58.5 | -154.2 | 0 | 0 | 112.8 | M253 G255 E259 R260 | M253-E257 WeakPolarHBondContact O-CB 3.4Å; M253-E257 PolarHBondContact O-N 3.35Å; G255-E257 VanDerWaalsContact C-N 3.34Å; E257-E259 VanDerWaalsContact C-N 3.35Å; E257-E259 PolarHBondContact O-N 2.82Å; E257-R260 WeakPolarHBondContact O-CB 3.35Å; E257-R260 PolarHBondContact O-N 3.44Å; E257-R260 IonicContact OE1-NE 3.35Å; E257-R260 PolarHBondContact OE1-NE 3.35Å; E257-R260 IonicContact OE2-CZ 3.9Å; E257-R260 VanDerWaalsContact OE2-CZ 3.24Å; E257-R260 IonicContact OE2-NE 3.15Å; E257-R260 PolarHBondContact OE2-NE 2.82Å; E257-R260 IonicContact OE2-NH2 2.69Å; E257-R260 PolarHBondContact OE2-NH2 3.25Å |
| 258 | R | 87.6 | Confident | 90.8 | Very high | 159 Ų | 159 | 78.2 Ų | 78.2 | 60% | 0.6 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.8 | -34.2 | 176.1 | -66.5 | 178.7 | -162.9 | 179 | 3.8 | 113.3 | K254 G255 A256 | K254-R258 WeakPolarHBondContact O-CG 3.38Å; K254-R258 PolarHBondContact O-N 3.19Å; G255-R258 PolarHBondContact O-N 3.16Å; A256-R258 VanDerWaalsContact C-N 3.28Å; A256-R258 PolarHBondContact O-N 3.16Å |
| 259 | E | 88.7 | Confident | 90.7 | Very high | 7 Ų | 7 | 82 Ų | 82 | 3% | 0.033 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -82.4 | -23.9 | 178.8 | -55.9 | -53.2 | 150.3 | 0 | 0 | 112.8 | I228 V243 F244 K247 G255 A256 E257 H261 E262 V263 | I228-E259 PolarHBondContact N-OE2 3.3Å; I228-E259 VanDerWaalsContact N-OE2 3.14Å; V243-E259 HydrophobicContact CG1-CG 4.01Å; F244-E259 HydrophobicContact CB-CB 4.26Å; F244-E259 HydrophobicContact CD2-CB 4.41Å; K247-E259 HydrophobicContact CD-CG 4.15Å; K247-E259 VanDerWaalsContact NZ-CG 3.31Å; K247-E259 IonicContact NZ-OE1 2.77Å; K247-E259 PolarHBondContact NZ-OE1 3.06Å; G255-E259 PolarHBondContact O-N 3Å; A256-E259 PolarHBondContact O-N 3.14Å; A256-E259 VanDerWaalsContact O-N 3.13Å; E257-E259 VanDerWaalsContact C-N 3.35Å; E257-E259 PolarHBondContact O-N 2.82Å; E259-H261 PolarHBondContact O-N 2.93Å; E259-H261 VanDerWaalsContact O-N 3.16Å; E259-E262 PolarHBondContact O-N 3.48Å; E259-E262 VanDerWaalsContact O-N 3.12Å; E259-V263 PolarHBondContact O-N 3.42Å; E259-V263 VanDerWaalsContact O-N 3.14Å |
| 260 | R | 89.9 | Confident | 90.6 | Very high | 81 Ų | 81 | 84.8 Ų | 84.8 | 31% | 0.306 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -50.4 | -43.7 | -175.7 | -173.2 | -169 | -61 | -89.6 | 0.4 | 112.4 | F244 A256 E257 E262 V263 E264 | F244-R260 HydrophobicContact CE2-CB 4.16Å; A256-R260 PolarHBondContact O-N 2.96Å; E257-R260 WeakPolarHBondContact O-CB 3.35Å; E257-R260 PolarHBondContact O-N 3.44Å; E257-R260 IonicContact OE1-NE 3.35Å; E257-R260 PolarHBondContact OE1-NE 3.35Å; E257-R260 IonicContact OE2-CZ 3.9Å; E257-R260 VanDerWaalsContact OE2-CZ 3.24Å; E257-R260 IonicContact OE2-NE 3.15Å; E257-R260 PolarHBondContact OE2-NE 2.82Å; E257-R260 IonicContact OE2-NH2 2.69Å; E257-R260 PolarHBondContact OE2-NH2 3.25Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.2Å; R260-V263 PolarHBondContact O-N 2.93Å; R260-E264 VanDerWaalsContact CD-OE1 3.26Å; R260-E264 WeakPolarHBondContact CD-OE1 3.49Å; R260-E264 HydrophobicContact CG-CG 4.14Å; R260-E264 WeakPolarHBondContact CG-OE1 3.42Å; R260-E264 WeakPolarHBondContact O-CG 3.24Å; R260-E264 PolarHBondContact O-N 3.38Å |
| 261 | H | 88.6 | Confident | 90.5 | Very high | 136 Ų | 136 | 85.1 Ų | 85.1 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -56.5 | -45 | -178 | 179.4 | -82.5 | 0 | 0 | 0 | 112.7 | E259 S265 | E259-H261 PolarHBondContact O-N 2.93Å; E259-H261 VanDerWaalsContact O-N 3.16Å; H261-S265 VanDerWaalsContact O-CB 3.29Å; H261-S265 WeakPolarHBondContact O-CB 3.42Å; H261-S265 PolarHBondContact O-N 3.13Å |
| 262 | E | 90 | Very high | 90.4 | Very high | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.009 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -80.7 | -26.4 | -179.6 | -177.1 | 60.1 | -165.3 | 0 | 0 | 112.6 | I228 S230 R237 T240 E259 R260 S265 Q266 R281 | I228-E262 HydrophobicContact CG2-CG 4.46Å; I228-E262 WeakPolarHBondContact O-CB 3.48Å; S230-E262 PolarHBondContact N-OE2 2.9Å; R237-E262 WeakPolarHBondContact CD-OE1 3.47Å; T240-E262 HydrophobicContact CG2-CB 4.19Å; T240-E262 HydrophobicContact CG2-CG 3.63Å; E259-E262 PolarHBondContact O-N 3.48Å; E259-E262 VanDerWaalsContact O-N 3.12Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.2Å; E262-S265 WeakPolarHBondContact CA-OG 3.35Å; E262-S265 PolarHBondContact O-OG 3.18Å; E262-S265 VanDerWaalsContact O-OG 3.12Å; E262-S265 PolarHBondContact OE2-OG 3.27Å; E262-Q266 WeakPolarHBondContact O-CG 3.48Å; E262-Q266 PolarHBondContact O-N 2.87Å; E262-Q266 PolarHBondContact OE1-NE2 3.42Å; E262-R281 IonicContact OE1-CZ 3.36Å; E262-R281 IonicContact OE1-NH1 3.14Å; E262-R281 PolarHBondContact OE1-NH1 3.29Å; E262-R281 IonicContact OE1-NH2 2.8Å; E262-R281 PolarHBondContact OE1-NH2 3.43Å; E262-R281 IonicContact OE2-CZ 3.83Å; E262-R281 IonicContact OE2-NH1 3.95Å; E262-R281 PolarHBondContact OE2-NH1 2.77Å; E262-R281 VanDerWaalsContact OE2-NH1 3.15Å; E262-R281 IonicContact OE2-NH2 3.53Å |
| 263 | V | 90 | Very high | 90.5 | Very high | 12 Ų | 12 | 79 Ų | 79 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.7 | -50.8 | 170.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | F244 E259 R260 Q266 | F244-V263 HydrophobicContact CB-CG2 3.84Å; F244-V263 HydrophobicContact CG-CG2 4.27Å; E259-V263 PolarHBondContact O-N 3.42Å; E259-V263 VanDerWaalsContact O-N 3.14Å; R260-V263 PolarHBondContact O-N 2.93Å; V263-Q266 PolarHBondContact O-N 3.45Å |
| 264 | E | 90.2 | Very high | 90.6 | Very high | 113 Ų | 113 | 79.7 Ų | 79.7 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.7 | -36.4 | -179.9 | -70.9 | 177.9 | -177.7 | 0 | 0 | 111.9 | R260 Q266 M267 | R260-E264 VanDerWaalsContact CD-OE1 3.26Å; R260-E264 WeakPolarHBondContact CD-OE1 3.49Å; R260-E264 HydrophobicContact CG-CG 4.14Å; R260-E264 WeakPolarHBondContact CG-OE1 3.42Å; R260-E264 WeakPolarHBondContact O-CG 3.24Å; R260-E264 PolarHBondContact O-N 3.38Å; E264-Q266 VanDerWaalsContact C-N 3.31Å; E264-Q266 PolarHBondContact O-N 2.9Å; E264-M267 PolarHBondContact O-N 3.45Å |
| 265 | S | 89.2 | Confident | 90.9 | Very high | 6 Ų | 6 | 77.8 Ų | 77.8 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.1 | -35.4 | 179.5 | 80.2 | 0 | 0 | 0 | 0 | 112.3 | H261 E262 M267 R280 R281 E284 | H261-S265 VanDerWaalsContact O-CB 3.29Å; H261-S265 WeakPolarHBondContact O-CB 3.42Å; H261-S265 PolarHBondContact O-N 3.13Å; E262-S265 WeakPolarHBondContact CA-OG 3.35Å; E262-S265 PolarHBondContact O-OG 3.18Å; E262-S265 VanDerWaalsContact O-OG 3.12Å; E262-S265 PolarHBondContact OE2-OG 3.27Å; S265-M267 VanDerWaalsContact C-N 3.29Å; S265-M267 PolarHBondContact O-N 3.29Å; S265-R280 PolarHBondContact O-NH1 3.46Å; S265-R280 PolarHBondContact O-NH2 3.47Å; S265-R281 WeakPolarHBondContact O-CD 3.44Å; S265-R281 PolarHBondContact OG-NH1 2.86Å; S265-E284 WeakPolarHBondContact CB-OE2 3.19Å |
| 266 | Q | 88.6 | Confident | 91.2 | Very high | 47 Ų | 47 | 81.4 Ų | 81.4 | 22% | 0.22 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.4 | -24.5 | 179.9 | -79.2 | -176.1 | 54.9 | 0 | 0 | 113.6 | R237 T240 E262 V263 E264 Y277 | R237-Q266 PolarHBondContact O-NE2 2.77Å; R237-Q266 PolarHBondContact O-OE1 3.19Å; T240-Q266 PolarHBondContact OG1-NE2 3.49Å; E262-Q266 WeakPolarHBondContact O-CG 3.48Å; E262-Q266 PolarHBondContact O-N 2.87Å; E262-Q266 PolarHBondContact OE1-NE2 3.42Å; V263-Q266 PolarHBondContact O-N 3.45Å; E264-Q266 VanDerWaalsContact C-N 3.31Å; E264-Q266 PolarHBondContact O-N 2.9Å; Q266-Y277 VanDerWaalsContact O-CE2 3.31Å; Q266-Y277 WeakPolarHBondContact O-CE2 3.5Å; Q266-Y277 PolarHBondContact O-OH 2.83Å |
| 267 | M | 89.1 | Confident | 91.4 | Very high | 107 Ų | 107 | 83.6 Ų | 83.6 | 53% | 0.527 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -78.7 | 141.6 | 175.5 | -60 | -62.4 | 176.1 | 0 | 0 | 110.4 | E264 S265 R280 | E264-M267 PolarHBondContact O-N 3.45Å; S265-M267 VanDerWaalsContact C-N 3.29Å; S265-M267 PolarHBondContact O-N 3.29Å; M267-R280 PolarHBondContact O-NH2 3.37Å |
| 268 | R | 90.9 | Very high | 91.5 | Very high | 156 Ų | 156 | 85 Ų | 85 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 131 | 167.5 | -171.2 | 179.9 | 72.4 | 130.9 | -6 | 108.7 | E272 Y277 | R268-E272 WeakPolarHBondContact CD-O 3.42Å; R268-E272 HydrophobicContact CG-CB 4Å; R268-E272 HydrophobicContact CG-CG 4.36Å; R268-E272 PolarHBondContact NH1-O 2.84Å; R268-Y277 HydrophobicContact CB-CD2 4.13Å; R268-Y277 HydrophobicContact CG-CD2 4.41Å |
| 269 | R | 92 | Very high | 91.9 | Very high | 142 Ų | 142 | 82 Ų | 82 | 54% | 0.536 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -71 | 152 | 179.6 | -62.3 | 174.1 | 178.6 | -176.2 | -0.5 | 110.5 | G271 E272 | R269-G271 PolarHBondContact O-N 3.43Å; R269-E272 HydrophobicContact CB-CB 3.96Å; R269-E272 PolarHBondContact N-OE2 3.39Å; R269-E272 WeakPolarHBondContact O-CB 3.47Å; R269-E272 PolarHBondContact O-N 3.13Å |
| 270 | P | 93.2 | Very high | 92.1 | Very high | 139 Ų | 139 | 83 Ų | 83 | 90% | 0.903 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 123.4 | 173.7 | -24.7 | 34.5 | 0 | 0 | 0 | 111.2 | E272 | P270-E272 VanDerWaalsContact C-N 3.32Å; P270-E272 PolarHBondContact O-N 3.04Å |
| 271 | G | 93.2 | Very high | 92.2 | Very high | 84 Ų | 84 | 79.6 Ų | 79.6 | 87% | 0.866 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -3.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R269 | R269-G271 PolarHBondContact O-N 3.43Š|
| 272 | E | 93.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 79.4 Ų | 79.4 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | trans | -73.4 | 132 | 177.9 | -175.8 | 176.2 | -131 | 0 | 0 | 110.6 | R268 R269 P270 D276 R280 | R268-E272 WeakPolarHBondContact CD-O 3.42Å; R268-E272 HydrophobicContact CG-CB 4Å; R268-E272 HydrophobicContact CG-CG 4.36Å; R268-E272 PolarHBondContact NH1-O 2.84Å; R269-E272 HydrophobicContact CB-CB 3.96Å; R269-E272 PolarHBondContact N-OE2 3.39Å; R269-E272 WeakPolarHBondContact O-CB 3.47Å; R269-E272 PolarHBondContact O-N 3.13Å; P270-E272 VanDerWaalsContact C-N 3.32Å; P270-E272 PolarHBondContact O-N 3.04Å; E272-D276 HydrophobicContact CG-CB 3.93Å; E272-R280 IonicContact OE1-CZ 2.7Å; E272-R280 IonicContact OE1-NE 3.18Å; E272-R280 PolarHBondContact OE1-NE 3.4Å; E272-R280 IonicContact OE1-NH2 3.65Å; E272-R280 PolarHBondContact OE1-NH2 2.9Å; E272-R280 IonicContact OE2-CZ 3.01Å; E272-R280 IonicContact OE2-NE 3.67Å; E272-R280 IonicContact OE2-NH2 2.97Å; E272-R280 PolarHBondContact OE2-NH2 3.28Å | ||
| 273 | S | 94.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 83.2 Ų | 83.2 | 34% | 0.343 | 41% | 0.412 | S | S | . | . | trans | -69.2 | 158 | 174 | 82.5 | 0 | 0 | 0 | 0 | 110.6 | L275 D276 Y277 | S273-L275 PolarHBondContact O-N 2.96Å; S273-D276 VanDerWaalsContact CB-OD2 3.3Å; S273-D276 WeakPolarHBondContact CB-OD2 3.4Å; S273-D276 PolarHBondContact N-OD2 3.33Å; S273-D276 PolarHBondContact O-N 2.92Å; S273-D276 PolarHBondContact OG-N 3.39Å; S273-D276 VanDerWaalsContact OG-N 3.15Å; S273-D276 PolarHBondContact OG-OD2 2.89Å; S273-Y277 PolarHBondContact O-N 2.94Å | ||
| 274 | E | 94.2 | Very high | 92.4 | Very high | 130 Ų | 130 | 84.4 Ų | 84.4 | 61% | 0.607 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.1 | -36.9 | 177.7 | -177.2 | 175 | -176.1 | 0 | 0 | 111.8 | Y277 Y278 | E274-Y277 WeakPolarHBondContact O-CB 3.28Å; E274-Y277 PolarHBondContact O-N 2.8Å; E274-Y278 HydrophobicContact CG-CD2 3.9Å; E274-Y278 HydrophobicContact CG-CE2 3.5Å; E274-Y278 VanDerWaalsContact CG-CE2 3.5Å; E274-Y278 WeakPolarHBondContact O-CD2 3.39Å; E274-Y278 PolarHBondContact O-N 2.95Å; E274-Y278 VanDerWaalsContact O-N 3.12Å |
| 275 | L | 95.8 | Very high | 92.3 | Very high | 127 Ų | 127 | 82.3 Ų | 82.3 | 67% | 0.665 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.6 | -42.9 | 179.7 | -154.3 | 146.3 | 0 | 0 | 0 | 111.3 | S273 Y277 Y278 E279 | S273-L275 PolarHBondContact O-N 2.96Å; L275-Y277 VanDerWaalsContact C-N 3.32Å; L275-Y277 PolarHBondContact O-N 3.2Å; L275-Y278 PolarHBondContact O-N 3.12Å; L275-E279 WeakPolarHBondContact O-CB 3.41Å; L275-E279 PolarHBondContact O-N 2.98Å |
| 276 | D | 95.3 | Very high | 92.2 | Very high | 81 Ų | 81 | 84.4 Ų | 84.4 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.3 | -59.5 | -36 | 0 | 0 | 0 | 111.7 | E272 S273 E279 R280 | E272-D276 HydrophobicContact CG-CB 3.93Å; S273-D276 VanDerWaalsContact CB-OD2 3.3Å; S273-D276 WeakPolarHBondContact CB-OD2 3.4Å; S273-D276 PolarHBondContact N-OD2 3.33Å; S273-D276 PolarHBondContact O-N 2.92Å; S273-D276 PolarHBondContact OG-N 3.39Å; S273-D276 VanDerWaalsContact OG-N 3.15Å; S273-D276 PolarHBondContact OG-OD2 2.89Å; D276-E279 PolarHBondContact O-N 2.69Å; D276-R280 WeakPolarHBondContact O-CB 3.38Å; D276-R280 PolarHBondContact O-N 3.38Å |
| 277 | Y | 93.6 | Very high | 92.2 | Very high | 47 Ų | 47 | 88.7 Ų | 88.7 | 18% | 0.184 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.4 | -50.9 | 174.6 | 166.1 | -96.7 | 0 | 0 | 0 | 111.6 | Q266 R268 S273 E274 L275 E279 R280 R281 | Q266-Y277 VanDerWaalsContact O-CE2 3.31Å; Q266-Y277 WeakPolarHBondContact O-CE2 3.5Å; Q266-Y277 PolarHBondContact O-OH 2.83Å; R268-Y277 HydrophobicContact CB-CD2 4.13Å; R268-Y277 HydrophobicContact CG-CD2 4.41Å; S273-Y277 PolarHBondContact O-N 2.94Å; E274-Y277 WeakPolarHBondContact O-CB 3.28Å; E274-Y277 PolarHBondContact O-N 2.8Å; L275-Y277 VanDerWaalsContact C-N 3.32Å; L275-Y277 PolarHBondContact O-N 3.2Å; Y277-E279 VanDerWaalsContact C-N 3.33Å; Y277-E279 PolarHBondContact O-N 3.27Å; Y277-R280 PolarHBondContact O-N 2.85Å; Y277-R281 HydrophobicContact CD2-CG 4.35Å; Y277-R281 HydrophobicContact CE1-CG 4.27Å; Y277-R281 HydrophobicContact CE2-CG 3.92Å; Y277-R281 WeakPolarHBondContact O-CB 3.35Å; Y277-R281 WeakPolarHBondContact O-CG 3.44Å; Y277-R281 PolarHBondContact O-N 3.37Å |
| 278 | Y | 93.8 | Very high | 91.9 | Very high | 135 Ų | 135 | 84.5 Ų | 84.5 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 179.7 | -76.5 | -58.2 | 0 | 0 | 0 | 112.1 | E274 L275 R281 Y282 | E274-Y278 HydrophobicContact CG-CD2 3.9Å; E274-Y278 HydrophobicContact CG-CE2 3.5Å; E274-Y278 VanDerWaalsContact CG-CE2 3.5Å; E274-Y278 WeakPolarHBondContact O-CD2 3.39Å; E274-Y278 PolarHBondContact O-N 2.95Å; E274-Y278 VanDerWaalsContact O-N 3.12Å; L275-Y278 PolarHBondContact O-N 3.12Å; Y278-R281 PolarHBondContact O-N 2.81Å; Y278-Y282 WeakPolarHBondContact O-CB 3.46Å; Y278-Y282 PolarHBondContact O-N 2.57Å |
| 279 | E | 95 | Very high | 91.4 | Very high | 97 Ų | 97 | 82.6 Ų | 82.6 | 45% | 0.453 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 176 | -171.5 | 178.4 | 172.9 | 0 | 0 | 111.4 | L275 D276 Y277 R281 Y282 Q283 | L275-E279 WeakPolarHBondContact O-CB 3.41Å; L275-E279 PolarHBondContact O-N 2.98Å; D276-E279 PolarHBondContact O-N 2.69Å; Y277-E279 VanDerWaalsContact C-N 3.33Å; Y277-E279 PolarHBondContact O-N 3.27Å; E279-R281 VanDerWaalsContact C-N 3.33Å; E279-R281 PolarHBondContact O-N 3.17Å; E279-Y282 WeakPolarHBondContact O-CA 3.38Å; E279-Y282 WeakPolarHBondContact O-CB 3.37Å; E279-Y282 PolarHBondContact O-N 3.25Å; E279-Y282 VanDerWaalsContact O-N 3.08Å; E279-Q283 HydrophobicContact CG-CG 4.48Å; E279-Q283 WeakPolarHBondContact O-CG 3.42Å; E279-Q283 PolarHBondContact O-N 3.01Å; E279-Q283 PolarHBondContact OE1-NE2 2.98Å; E279-Q283 VanDerWaalsContact OE1-NE2 3.09Å |
| 280 | R | 93.8 | Very high | 90.5 | Very high | 26 Ų | 26 | 83.8 Ų | 83.8 | 10% | 0.098 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.3 | -47.8 | 175.8 | 176.2 | 173.2 | 56.9 | 77.4 | -5.6 | 111.4 | S265 M267 E272 D276 Y277 Y282 Q283 E284 | S265-R280 PolarHBondContact O-NH1 3.46Å; S265-R280 PolarHBondContact O-NH2 3.47Å; M267-R280 PolarHBondContact O-NH2 3.37Å; E272-R280 IonicContact OE1-CZ 2.7Å; E272-R280 IonicContact OE1-NE 3.18Å; E272-R280 PolarHBondContact OE1-NE 3.4Å; E272-R280 IonicContact OE1-NH2 3.65Å; E272-R280 PolarHBondContact OE1-NH2 2.9Å; E272-R280 IonicContact OE2-CZ 3.01Å; E272-R280 IonicContact OE2-NE 3.67Å; E272-R280 IonicContact OE2-NH2 2.97Å; E272-R280 PolarHBondContact OE2-NH2 3.28Å; D276-R280 WeakPolarHBondContact O-CB 3.38Å; D276-R280 PolarHBondContact O-N 3.38Å; Y277-R280 PolarHBondContact O-N 2.85Å; R280-Y282 VanDerWaalsContact C-N 3.26Å; R280-Y282 PolarHBondContact O-N 3.37Å; R280-Q283 PolarHBondContact O-N 2.95Å; R280-E284 WeakPolarHBondContact CG-OE1 3.22Å; R280-E284 IonicContact NH1-OE1 3.84Å; R280-E284 PolarHBondContact NH1-OE1 3.26Å; R280-E284 VanDerWaalsContact NH1-OE1 3.14Å; R280-E284 WeakPolarHBondContact O-CG 3.28Å; R280-E284 PolarHBondContact O-N 3.1Å |
| 281 | R | 91.7 | Very high | 89.4 | Confident | 10 Ų | 10 | 84 Ų | 84 | 4% | 0.038 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.7 | -33.7 | 177.7 | -71.9 | -63.3 | -66.6 | 157.7 | -15.4 | 112.5 | E262 S265 Y277 Y278 E279 E284 R285 | E262-R281 IonicContact OE1-CZ 3.36Å; E262-R281 IonicContact OE1-NH1 3.14Å; E262-R281 PolarHBondContact OE1-NH1 3.29Å; E262-R281 IonicContact OE1-NH2 2.8Å; E262-R281 PolarHBondContact OE1-NH2 3.43Å; E262-R281 IonicContact OE2-CZ 3.83Å; E262-R281 IonicContact OE2-NH1 3.95Å; E262-R281 PolarHBondContact OE2-NH1 2.77Å; E262-R281 VanDerWaalsContact OE2-NH1 3.15Å; E262-R281 IonicContact OE2-NH2 3.53Å; S265-R281 WeakPolarHBondContact O-CD 3.44Å; S265-R281 PolarHBondContact OG-NH1 2.86Å; Y277-R281 HydrophobicContact CD2-CG 4.35Å; Y277-R281 HydrophobicContact CE1-CG 4.27Å; Y277-R281 HydrophobicContact CE2-CG 3.92Å; Y277-R281 WeakPolarHBondContact O-CB 3.35Å; Y277-R281 WeakPolarHBondContact O-CG 3.44Å; Y277-R281 PolarHBondContact O-N 3.37Å; Y278-R281 PolarHBondContact O-N 2.81Å; E279-R281 VanDerWaalsContact C-N 3.33Å; E279-R281 PolarHBondContact O-N 3.17Å; R281-E284 WeakPolarHBondContact CD-OE2 3.47Å; R281-E284 IonicContact CZ-OE2 2.75Å; R281-E284 IonicContact NE-OE2 2.91Å; R281-E284 IonicContact NH1-OE2 3.71Å; R281-E284 PolarHBondContact NH1-OE2 3.39Å; R281-R285 WeakPolarHBondContact O-CG 3.49Å; R281-R285 VanDerWaalsContact O-CZ 3.25Å; R281-R285 PolarHBondContact O-N 3.2Å; R281-R285 PolarHBondContact O-NH1 3.13Å; R281-R285 VanDerWaalsContact O-NH1 3.09Å |
| 282 | Y | 91.2 | Very high | 87.5 | Confident | 133 Ų | 133 | 86.1 Ų | 86.1 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.6 | -48.5 | 173.5 | 177.6 | -95.1 | 0 | 0 | 0 | 111.2 | Y278 E279 R280 E284 R285 E286 | Y278-Y282 WeakPolarHBondContact O-CB 3.46Å; Y278-Y282 PolarHBondContact O-N 2.57Å; E279-Y282 WeakPolarHBondContact O-CA 3.38Å; E279-Y282 WeakPolarHBondContact O-CB 3.37Å; E279-Y282 PolarHBondContact O-N 3.25Å; E279-Y282 VanDerWaalsContact O-N 3.08Å; R280-Y282 VanDerWaalsContact C-N 3.26Å; R280-Y282 PolarHBondContact O-N 3.37Å; Y282-E284 VanDerWaalsContact C-N 3.35Å; Y282-E284 PolarHBondContact O-N 2.93Å; Y282-R285 WeakPolarHBondContact O-CB 3.49Å; Y282-R285 PolarHBondContact O-N 2.87Å; Y282-R285 VanDerWaalsContact O-N 3.12Å; Y282-E286 HydrophobicContact CD1-CG 4.17Å; Y282-E286 HydrophobicContact CE1-CG 3.67Å; Y282-E286 HydrophobicContact CE2-CG 4.27Å; Y282-E286 PolarHBondContact O-N 3.4Å |
| 283 | Q | 91.8 | Very high | 85 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 178.5 | -67 | 178.4 | 13.8 | 0 | 0 | 112.6 | E279 R280 R285 E286 K287 | E279-Q283 HydrophobicContact CG-CG 4.48Å; E279-Q283 WeakPolarHBondContact O-CG 3.42Å; E279-Q283 PolarHBondContact O-N 3.01Å; E279-Q283 PolarHBondContact OE1-NE2 2.98Å; E279-Q283 VanDerWaalsContact OE1-NE2 3.09Å; R280-Q283 PolarHBondContact O-N 2.95Å; Q283-R285 VanDerWaalsContact C-N 3.31Å; Q283-R285 PolarHBondContact O-N 3Å; Q283-E286 PolarHBondContact O-N 2.87Å; Q283-K287 WeakPolarHBondContact O-CB 3.33Å; Q283-K287 VanDerWaalsContact O-CG 3.31Å; Q283-K287 WeakPolarHBondContact O-CG 3.21Å; Q283-K287 PolarHBondContact O-N 3.37Å |
| 284 | E | 90.1 | Very high | 82.6 | Confident | 36 Ų | 36 | 95.4 Ų | 95.4 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 174.4 | -75 | 169.2 | -169.4 | 0 | 0 | 112.1 | S230 S265 R280 R281 Y282 A288 | S230-E284 PolarHBondContact OG-O 3.19Å; S265-E284 WeakPolarHBondContact CB-OE2 3.19Å; R280-E284 WeakPolarHBondContact CG-OE1 3.22Å; R280-E284 IonicContact NH1-OE1 3.84Å; R280-E284 PolarHBondContact NH1-OE1 3.26Å; R280-E284 VanDerWaalsContact NH1-OE1 3.14Å; R280-E284 WeakPolarHBondContact O-CG 3.28Å; R280-E284 PolarHBondContact O-N 3.1Å; R281-E284 WeakPolarHBondContact CD-OE2 3.47Å; R281-E284 IonicContact CZ-OE2 2.75Å; R281-E284 IonicContact NE-OE2 2.91Å; R281-E284 IonicContact NH1-OE2 3.71Å; R281-E284 PolarHBondContact NH1-OE2 3.39Å; Y282-E284 VanDerWaalsContact C-N 3.35Å; Y282-E284 PolarHBondContact O-N 2.93Å; E284-A288 WeakPolarHBondContact O-CB 3.43Å; E284-A288 PolarHBondContact O-N 3.36Å; E284-A288 VanDerWaalsContact O-N 3.13Å |
| 285 | R | 88.2 | Confident | 80 | Confident | 69 Ų | 69 | 97.9 Ų | 97.9 | 26% | 0.26 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 176 | -75.8 | -172.1 | -64.5 | -89.1 | 6.6 | 111.8 | S230 V231 R281 Y282 Q283 A288 K289 | S230-R285 VanDerWaalsContact O-CG 3.25Å; S230-R285 WeakPolarHBondContact O-CG 3.45Å; V231-R285 WeakPolarHBondContact CG1-O 3.21Å; R281-R285 WeakPolarHBondContact O-CG 3.49Å; R281-R285 VanDerWaalsContact O-CZ 3.25Å; R281-R285 PolarHBondContact O-N 3.2Å; R281-R285 PolarHBondContact O-NH1 3.13Å; R281-R285 VanDerWaalsContact O-NH1 3.09Å; Y282-R285 WeakPolarHBondContact O-CB 3.49Å; Y282-R285 PolarHBondContact O-N 2.87Å; Y282-R285 VanDerWaalsContact O-N 3.12Å; Q283-R285 VanDerWaalsContact C-N 3.31Å; Q283-R285 PolarHBondContact O-N 3Å; R285-A288 PolarHBondContact O-N 3.15Å; R285-K289 WeakPolarHBondContact O-CG 3.26Å; R285-K289 PolarHBondContact O-N 3.39Å |
| 286 | E | 87.2 | Confident | 77.2 | Confident | 50 Ų | 50 | 99.7 Ų | 99.7 | 23% | 0.234 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 178 | -71 | -59.8 | 108.6 | 0 | 0 | 110.8 | Y282 Q283 A288 K289 Y290 | Y282-E286 HydrophobicContact CD1-CG 4.17Å; Y282-E286 HydrophobicContact CE1-CG 3.67Å; Y282-E286 HydrophobicContact CE2-CG 4.27Å; Y282-E286 PolarHBondContact O-N 3.4Å; Q283-E286 PolarHBondContact O-N 2.87Å; E286-A288 VanDerWaalsContact C-N 3.32Å; E286-A288 PolarHBondContact O-N 2.89Å; E286-K289 PolarHBondContact O-N 2.99Å; E286-K289 VanDerWaalsContact O-N 3.16Å; E286-K289 IonicContact OE1-NZ 3.82Å; E286-K289 PolarHBondContact OE1-NZ 3.06Å; E286-Y290 WeakPolarHBondContact O-CD2 3.33Å; E286-Y290 PolarHBondContact O-N 2.92Å |
| 287 | K | 88.1 | Confident | 74.4 | Confident | 137 Ų | 137 | 102.9 Ų | 102.9 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55.5 | -45.3 | 175.9 | -73.9 | 173.9 | -178.1 | 175.1 | 0 | 112.3 | Q283 Y290 I291 | Q283-K287 WeakPolarHBondContact O-CB 3.33Å; Q283-K287 VanDerWaalsContact O-CG 3.31Å; Q283-K287 WeakPolarHBondContact O-CG 3.21Å; Q283-K287 PolarHBondContact O-N 3.37Å; K287-Y290 PolarHBondContact O-N 3.13Å; K287-I291 PolarHBondContact O-N 2.99Å |
| 288 | A | 82 | Confident | 71.6 | Confident | 19 Ų | 19 | 107.4 Ų | 107.4 | 16% | 0.157 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -69.8 | -31.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V231 E284 R285 E286 Y290 I291 R292 | V231-A288 HydrophobicContact CB-CB 4.49Å; V231-A288 HydrophobicContact CG1-CB 3.51Å; V231-A288 HydrophobicContact CG2-CB 4.22Å; E284-A288 WeakPolarHBondContact O-CB 3.43Å; E284-A288 PolarHBondContact O-N 3.36Å; E284-A288 VanDerWaalsContact O-N 3.13Å; R285-A288 PolarHBondContact O-N 3.15Å; E286-A288 VanDerWaalsContact C-N 3.32Å; E286-A288 PolarHBondContact O-N 2.89Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-I291 PolarHBondContact O-N 3.34Å; A288-R292 PolarHBondContact O-N 2.9Å |
| 289 | K | 80.2 | Confident | 69 | Low | 117 Ų | 117 | 110 Ų | 110 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 172.6 | -75.3 | 174.6 | -172.7 | 169 | 0 | 112.3 | V231 R285 E286 R292 | V231-K289 HydrophobicContact CG1-CG 3.98Å; R285-K289 WeakPolarHBondContact O-CG 3.26Å; R285-K289 PolarHBondContact O-N 3.39Å; E286-K289 PolarHBondContact O-N 2.99Å; E286-K289 VanDerWaalsContact O-N 3.16Å; E286-K289 IonicContact OE1-NZ 3.82Å; E286-K289 PolarHBondContact OE1-NZ 3.06Å; K289-R292 PolarHBondContact O-N 2.85Å |
| 290 | Y | 73.8 | Confident | 66.5 | Low | 166 Ų | 166 | 117.5 Ų | 117.5 | 65% | 0.651 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.7 | -34.8 | 178.3 | -85.5 | -87 | 0 | 0 | 0 | 112.6 | E286 K287 A288 R292 | E286-Y290 WeakPolarHBondContact O-CD2 3.33Å; E286-Y290 PolarHBondContact O-N 2.92Å; K287-Y290 PolarHBondContact O-N 3.13Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; Y290-R292 VanDerWaalsContact C-N 3.33Å |
| 291 | I | 69.6 | Low | 65.2 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 74% | 0.744 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.2 | -33 | 175 | -62.4 | 168.1 | 0 | 0 | 0 | 111.4 | K287 A288 | K287-I291 PolarHBondContact O-N 2.99Å; A288-I291 PolarHBondContact O-N 3.34Å |
| 292 | R | 53.9 | Low | 63.8 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 48% | 0.483 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | 4.4 | -177.4 | -76.6 | -165 | -177.8 | -178.7 | 4.3 | 115.4 | T229 V231 D232 A288 K289 Y290 P294 | T229-R292 PolarHBondContact OG1-NH2 3.42Å; V231-R292 VanDerWaalsContact CG2-CZ 3.42Å; D232-R292 IonicContact OD1-CZ 2.73Å; D232-R292 IonicContact OD1-NH1 2.74Å; D232-R292 PolarHBondContact OD1-NH1 3.38Å; D232-R292 IonicContact OD1-NH2 3.7Å; D232-R292 PolarHBondContact OD1-NH2 3.4Å; D232-R292 IonicContact OD2-NH2 3.95Å; D232-R292 PolarHBondContact OD2-NH2 3.39Å; A288-R292 PolarHBondContact O-N 2.9Å; K289-R292 PolarHBondContact O-N 2.85Å; Y290-R292 VanDerWaalsContact C-N 3.33Å; R292-P294 WeakPolarHBondContact O-CD 3.45Å; R292-P294 VanDerWaalsContact O-N 3.11Å |
| 293 | K | 41.3 | Very low | 62.3 | Low | 157 Ų | 157 | 127.7 Ų | 127.7 | 68% | 0.683 | 59% | 0.587 | S | S | * | * | trans | -63.3 | 115.5 | 172.6 | -88.5 | -172.5 | 178.5 | 179.4 | 0 | 108.6 | ||||
| 294 | P | 44.7 | Very low | 60.5 | Low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 60% | 0.599 | S | S | * | * | trans | -65.8 | 139.1 | 178.6 | 25.9 | -31.2 | 0 | 0 | 0 | 109.5 | R292 Q296 | R292-P294 WeakPolarHBondContact O-CD 3.45Å; R292-P294 VanDerWaalsContact O-N 3.11Å; P294-Q296 PolarHBondContact O-N 3.41Å | ||
| 295 | E | 39.5 | Very low | 58.7 | Low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 63% | 0.626 | S | S | * | * | trans | -49.6 | 125.6 | 161.6 | -71.4 | -179.9 | 162.7 | 0 | 0 | 107.5 | I297 | E295-I297 PolarHBondContact O-N 2.98Š| ||
| 296 | Q | 35.9 | Very low | 56.7 | Low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 65% | 0.65 | S | S | * | * | trans | -57.3 | 110.3 | 179 | -71.2 | 179.8 | -1.7 | 0 | 0 | 107.6 | P294 H298 | P294-Q296 PolarHBondContact O-N 3.41Å; Q296-H298 VanDerWaalsContact C-N 3.25Å; Q296-H298 PolarHBondContact O-N 3.1Å | ||
| 297 | I | 38 | Very low | 54.5 | Low | 149 Ų | 149 | 147.2 Ų | 147.2 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | trans | -65 | 96.9 | 168.3 | -59.6 | 173.6 | 0 | 0 | 0 | 105.4 | E295 K299 | E295-I297 PolarHBondContact O-N 2.98Å; I297-K299 VanDerWaalsContact C-N 3.3Å; I297-K299 HydrophobicContact CG2-CG 4.35Å; I297-K299 PolarHBondContact O-N 3.41Å | ||
| 298 | H | 34.9 | Very low | 52 | Low | 141 Ų | 141 | 148 Ų | 148 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | trans | -60.2 | 96.8 | 166.1 | -93 | -82.5 | 0 | 0 | 0 | 107.4 | Q296 F300 | Q296-H298 VanDerWaalsContact C-N 3.25Å; Q296-H298 PolarHBondContact O-N 3.1Å; H298-F300 HydrophobicContact CB-CD2 4.34Å; H298-F300 HydrophobicContact CB-CE2 3.97Å; H298-F300 PolarHBondContact O-N 3.33Å | ||
| 299 | K | 39.2 | Very low | 49.4 | Very low | 191 Ų | 191 | 158.8 Ų | 158.8 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | trans | -77.2 | 106.1 | 158.8 | -71.5 | -172.4 | 176.4 | -175.8 | 0 | 106.5 | I297 | I297-K299 VanDerWaalsContact C-N 3.3Å; I297-K299 HydrophobicContact CG2-CG 4.35Å; I297-K299 PolarHBondContact O-N 3.41Å | ||
| 300 | F | 42.3 | Very low | 46.7 | Very low | 253 Ų | 253 | 162.5 Ų | 162.5 | 100% | 1.11 | 75% | 0.751 | S | S | * | * | trans | -75.8 | 0 | 157.7 | -69 | -83.8 | 0 | 0 | 0 | 108.9 | H298 | H298-F300 HydrophobicContact CB-CD2 4.34Å; H298-F300 HydrophobicContact CB-CE2 3.97Å; H298-F300 PolarHBondContact O-N 3.33Å |
Retrieved 300 of 300 residues in 316.5 ms
(Link to these results)