| 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 | 43.9 | Very low | 42.2 | Very low | 244 Ų | 244 | 161.3 Ų | 161.3 | 100% | 1.202 | 84% | 0.837 | S | S | * | * | 0 | 126.4 | 0 | -152.1 | -177.1 | -69.3 | 0 | 0 | 106.1 | |||||
| 2 | A | 34.7 | Very low | 41.9 | Very low | 100 Ų | 100 | 159.9 Ų | 159.9 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | 106.4 | 137.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3 | P | 49.3 | Very low | 42 | Very low | 123 Ų | 123 | 155.6 Ų | 155.6 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -120.2 | 168.5 | -132.1 | 30.9 | -12.5 | 0 | 0 | 0 | 115.9 | ||||
| 4 | F | 42.9 | Very low | 42.3 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -40.8 | 132.4 | 166.8 | -96.5 | -111.4 | 0 | 0 | 0 | 114.3 | ||||
| 5 | I | 38.8 | Very low | 42.3 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -133.3 | 113.9 | 156.2 | -60.4 | 179.8 | 0 | 0 | 0 | 107.6 | ||||
| 6 | Q | 39.8 | Very low | 42 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -101.1 | 128.4 | 175.5 | -170.8 | 171.9 | -7.9 | 0 | 0 | 107.4 | F8 | Q6-F8 PolarHBondContact O-N 3.07Š| ||
| 7 | P | 48.6 | Very low | 42.1 | Very low | 113 Ų | 113 | 151.1 Ų | 151.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -82.8 | 121.8 | 178.7 | 30.4 | -29.4 | 0 | 0 | 0 | 110.5 | L9 | P7-L9 PolarHBondContact O-N 3.33Š| ||
| 8 | F | 37.9 | Very low | 42.1 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -71.1 | 114.1 | 168.4 | -122.4 | -99.5 | 0 | 0 | 0 | 108.7 | Q6 I10 | Q6-F8 PolarHBondContact O-N 3.07Å; F8-I10 PolarHBondContact O-N 3.4Å | ||
| 9 | L | 41.5 | Very low | 42 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 110.4 | 164.6 | -103.8 | 111.7 | 0 | 0 | 0 | 108.2 | P7 F11 | P7-L9 PolarHBondContact O-N 3.33Å; L9-F11 PolarHBondContact O-N 3.36Å | ||
| 10 | I | 44.2 | Very low | 42.1 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -77.6 | 109.1 | 170.5 | -65.4 | 172.5 | 0 | 0 | 0 | 107.4 | F8 L12 | F8-I10 PolarHBondContact O-N 3.4Å; I10-L12 PolarHBondContact O-N 3.48Å | ||
| 11 | F | 42.3 | Very low | 42.4 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -74 | 107.6 | 166.3 | -123.2 | -92.5 | 0 | 0 | 0 | 108 | L9 V13 | L9-F11 PolarHBondContact O-N 3.36Å; F11-V13 PolarHBondContact O-N 3.37Å; F11-V13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | L | 38.9 | Very low | 43 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -79.3 | 89.9 | 175.5 | -143.8 | 150.3 | 0 | 0 | 0 | 107.4 | I10 I14 | I10-L12 PolarHBondContact O-N 3.48Å; L12-I14 HydrophobicContact CD2-CG1 4.2Å; L12-I14 PolarHBondContact O-N 3.01Å | ||
| 13 | V | 42.9 | Very low | 44.6 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | trans | -69.2 | 100.6 | 170.5 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | F11 F15 | F11-V13 PolarHBondContact O-N 3.37Å; F11-V13 VanDerWaalsContact O-N 3.1Å; V13-F15 VanDerWaalsContact C-N 3.34Å; V13-F15 HydrophobicContact CG1-CD2 4.15Å; V13-F15 HydrophobicContact CG1-CE2 4.3Å; V13-F15 PolarHBondContact O-N 3.34Å | ||
| 14 | I | 45.7 | Very low | 46.5 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -67.5 | 98.2 | 166.5 | -60.5 | 175.2 | 0 | 0 | 0 | 106.1 | L12 N16 | L12-I14 HydrophobicContact CD2-CG1 4.2Å; L12-I14 PolarHBondContact O-N 3.01Å; I14-N16 VanDerWaalsContact C-N 3.29Å; I14-N16 PolarHBondContact O-N 2.86Å | ||
| 15 | F | 42.5 | Very low | 48.9 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 80% | 0.798 | 69% | 0.688 | S | S | * | * | trans | -62.5 | 98.8 | 158.9 | -93.3 | -91 | 0 | 0 | 0 | 106.5 | V13 P17 | V13-F15 VanDerWaalsContact C-N 3.34Å; V13-F15 HydrophobicContact CG1-CD2 4.15Å; V13-F15 HydrophobicContact CG1-CE2 4.3Å; V13-F15 PolarHBondContact O-N 3.34Å; F15-P17 VanDerWaalsContact O-CD 3.32Å; F15-P17 WeakPolarHBondContact O-CD 3.45Å | ||
| 16 | N | 38.8 | Very low | 51.6 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | trans | -59.3 | 117.7 | 156.3 | -116.6 | -13.2 | 0 | 0 | 0 | 105.1 | I14 F18 | I14-N16 VanDerWaalsContact C-N 3.29Å; I14-N16 PolarHBondContact O-N 2.86Å; N16-F18 PolarHBondContact O-N 3.28Å | ||
| 17 | P | 43.5 | Very low | 54.4 | Low | 96 Ų | 96 | 121.6 Ų | 121.6 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | trans | -61.7 | 116.1 | 166.1 | 27.3 | -27.8 | 0 | 0 | 0 | 104.4 | F15 I19 | F15-P17 VanDerWaalsContact O-CD 3.32Å; F15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-I19 PolarHBondContact O-N 3.37Å | ||
| 18 | F | 41 | Very low | 56.7 | Low | 199 Ų | 199 | 117.9 Ų | 117.9 | 87% | 0.873 | 61% | 0.605 | S | S | * | * | trans | -56.1 | 97 | 153 | -94 | -91.1 | 0 | 0 | 0 | 104.2 | N16 T20 | N16-F18 PolarHBondContact O-N 3.28Å; F18-T20 PolarHBondContact O-N 3.05Å | ||
| 19 | I | 40.3 | Very low | 59.6 | Low | 129 Ų | 129 | 108.6 Ų | 108.6 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | trans | -61.8 | 93.7 | 161 | -61 | 175.8 | 0 | 0 | 0 | 102.6 | P17 N21 | P17-I19 PolarHBondContact O-N 3.37Å; I19-N21 WeakPolarHBondContact CG2-OD1 3.17Å; I19-N21 PolarHBondContact O-N 3.21Å | ||
| 20 | T | 43.8 | Very low | 62.3 | Low | 120 Ų | 120 | 101.2 Ų | 101.2 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | trans | -61.2 | 94.5 | 154.9 | 50.9 | 0 | 0 | 0 | 0 | 103.5 | F18 S22 | F18-T20 PolarHBondContact O-N 3.05Å; T20-S22 PolarHBondContact O-N 2.91Å | ||
| 21 | N | 48.3 | Very low | 64.9 | Low | 107 Ų | 107 | 94.3 Ų | 94.3 | 57% | 0.572 | 49% | 0.49 | S | S | * | . | trans | -58.1 | 96.1 | 163.9 | -95.6 | -10.9 | 0 | 0 | 0 | 104.7 | I19 F23 | I19-N21 WeakPolarHBondContact CG2-OD1 3.17Å; I19-N21 PolarHBondContact O-N 3.21Å; N21-F23 HydrophobicContact CB-CD2 4.37Å; N21-F23 HydrophobicContact CB-CE1 4.17Å; N21-F23 HydrophobicContact CB-CE2 4.01Å; N21-F23 HydrophobicContact CB-CZ 3.9Å; N21-F23 WeakPolarHBondContact O-CD2 3.34Å; N21-F23 PolarHBondContact O-N 3.11Å | ||
| 22 | S | 56.9 | Low | 67.6 | Low | 100 Ų | 100 | 85.5 Ų | 85.5 | 70% | 0.699 | 45% | 0.452 | S | S | * | . | trans | -70.4 | 92.7 | 162.9 | 57.5 | 0 | 0 | 0 | 0 | 104.5 | T20 T24 | T20-S22 PolarHBondContact O-N 2.91Å; S22-T24 PolarHBondContact O-N 3.01Å; S22-T24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | F | 69.5 | Low | 70.4 | Confident | 84 Ų | 84 | 78.7 Ų | 78.7 | 37% | 0.368 | 42% | 0.416 | S | S | . | . | trans | -62.3 | 109.9 | 173.5 | -65.4 | -76.6 | 0 | 0 | 0 | 107.4 | N21 G63 M340 | N21-F23 HydrophobicContact CB-CD2 4.37Å; N21-F23 HydrophobicContact CB-CE1 4.17Å; N21-F23 HydrophobicContact CB-CE2 4.01Å; N21-F23 HydrophobicContact CB-CZ 3.9Å; N21-F23 WeakPolarHBondContact O-CD2 3.34Å; N21-F23 PolarHBondContact O-N 3.11Å; F23-G63 CarbonylContact O-C 3.42Å; F23-G63 WeakPolarHBondContact O-CA 3.47Å; F23-M340 HydrophobicContact CB-CE 3.67Å; F23-M340 HydrophobicContact CD1-CE 3.59Å; F23-M340 HydrophobicContact CD2-CE 4.48Å; F23-M340 HydrophobicContact CE1-CE 4.34Å; F23-M340 HydrophobicContact CG-CE 3.68Å | ||
| 24 | T | 87.8 | Confident | 72.9 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 57% | 0.571 | 39% | 0.386 | S | S | * | . | trans | -92.7 | 110.5 | 168.6 | -54.3 | 0 | 0 | 0 | 0 | 107.2 | S22 G63 | S22-T24 PolarHBondContact O-N 3.01Å; S22-T24 VanDerWaalsContact O-N 3.08Å; T24-G63 CarbonylContact C-O 3.59Å; T24-G63 WeakPolarHBondContact CA-O 3.19Å | ||
| 25 | E | 93.3 | Very high | 75.2 | Confident | 45 Ų | 45 | 71.2 Ų | 71.2 | 21% | 0.21 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.5 | -179.8 | -67.7 | -63.6 | 149.3 | 0 | 0 | 110.2 | I27 G63 F64 H65 M340 | E25-I27 HydrophobicContact CB-CG1 4.26Å; E25-G63 PolarHBondContact N-O 3.32Å; E25-F64 HydrophobicContact CB-CD1 4.14Å; E25-F64 HydrophobicContact CB-CE1 4.5Å; E25-F64 HydrophobicContact CG-CE1 4.45Å; E25-H65 PolarHBondContact O-N 3.29Å; E25-M340 HydrophobicContact CG-CE 3.37Å; E25-M340 HydrophobicContact CG-SD 3.68Å; E25-M340 WeakPolarHBondContact OE1-CE 3.47Å |
| 26 | E | 96.1 | Very high | 77.6 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126.2 | 164.7 | -65.1 | -63.7 | 146.3 | 0 | 0 | 107.7 | H65 N67 K346 | E26-H65 CarbonylContact C-O 3.53Å; E26-H65 WeakPolarHBondContact CA-O 3.45Å; E26-H65 WeakPolarHBondContact OE1-CB 3.24Å; E26-H65 IonicContact OE1-CG 2.69Å; E26-N67 PolarHBondContact OE2-ND2 2.76Å; E26-K346 WeakPolarHBondContact O-CD 3.3Å; E26-K346 VanDerWaalsContact O-CE 3.31Å; E26-K346 WeakPolarHBondContact O-CE 3.42Å; E26-K346 PolarHBondContact O-NZ 3.42Å |
| 27 | I | 97.8 | Very high | 80 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113.1 | -173.5 | -60.1 | 157.3 | 0 | 0 | 0 | 108.2 | E25 V29 F64 H65 F66 N67 D93 Y332 L336 K346 | E25-I27 HydrophobicContact CB-CG1 4.26Å; I27-V29 HydrophobicContact CG2-CG2 4.05Å; I27-V29 PolarHBondContact O-N 3.23Å; I27-F64 HydrophobicContact CD1-CB 3.79Å; I27-F64 HydrophobicContact CD1-CD1 4.16Å; I27-F64 HydrophobicContact CD1-CD2 4.33Å; I27-F64 HydrophobicContact CD1-CG 3.85Å; I27-H65 PolarHBondContact N-O 3.31Å; I27-F66 HydrophobicContact CB-CD1 3.86Å; I27-F66 HydrophobicContact CB-CE1 4.16Å; I27-F66 HydrophobicContact CD1-CD1 3.95Å; I27-F66 HydrophobicContact CD1-CE1 3.5Å; I27-F66 HydrophobicContact CD1-CZ 3.83Å; I27-F66 HydrophobicContact CG1-CE1 4.44Å; I27-F66 HydrophobicContact CG2-CD1 3.8Å; I27-F66 HydrophobicContact CG2-CE1 3.95Å; I27-N67 PolarHBondContact O-N 2.96Å; I27-D93 HydrophobicContact CG2-CB 4.06Å; I27-Y332 HydrophobicContact CD1-CE1 4.39Å; I27-Y332 HydrophobicContact CG2-CE1 3.75Å; I27-L336 HydrophobicContact CD1-CD2 3.4Å; I27-L336 VanDerWaalsContact CD1-CD2 3.4Å; I27-L336 HydrophobicContact CG1-CD2 3.97Å; I27-K346 HydrophobicContact CG1-CD 4.49Å |
| 28 | E | 97.8 | Very high | 82.1 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 112 | 178.3 | -63.4 | -59.7 | 135.7 | 0 | 0 | 110.1 | N67 H69 L90 D93 L94 | E28-N67 WeakPolarHBondContact OE1-CB 3.33Å; E28-N67 PolarHBondContact OE1-ND2 2.88Å; E28-H69 IonicContact OE2-CD2 3.69Å; E28-H69 PolarHBondContact OE2-CD2 3.38Å; E28-H69 IonicContact OE2-CE1 2.77Å; E28-H69 IonicContact OE2-NE2 3.47Å; E28-H69 PolarHBondContact OE2-NE2 2.89Å; E28-L90 HydrophobicContact CG-CD2 3.76Å; E28-L90 HydrophobicContact CG-CG 4.4Å; E28-D93 PolarHBondContact N-OD2 3.4Å; E28-D93 PolarHBondContact O-N 3.04Å; E28-L94 PolarHBondContact O-N 3.44Å |
| 29 | V | 98.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124 | 179.7 | -174 | 0 | 0 | 0 | 0 | 109.1 | I27 V31 F66 N67 I68 H69 L94 L96 | I27-V29 HydrophobicContact CG2-CG2 4.05Å; I27-V29 PolarHBondContact O-N 3.23Å; V29-V31 HydrophobicContact CG1-CG2 3.95Å; V29-F66 HydrophobicContact CG2-CB 4.43Å; V29-F66 HydrophobicContact CG2-CD1 3.8Å; V29-N67 PolarHBondContact N-O 2.8Å; V29-I68 HydrophobicContact CB-CG1 4.12Å; V29-I68 HydrophobicContact CG2-CG1 4.35Å; V29-H69 PolarHBondContact O-N 2.78Å; V29-L94 WeakPolarHBondContact CA-O 3.22Å; V29-L94 HydrophobicContact CG1-CB 4.41Å; V29-L94 HydrophobicContact CG1-CD2 4Å; V29-L94 HydrophobicContact CG1-CG 4.19Å; V29-L94 HydrophobicContact CG2-CB 4.34Å; V29-L94 HydrophobicContact CG2-CD2 4.19Å; V29-L96 HydrophobicContact CG1-CD1 3.97Å; V29-L96 HydrophobicContact CG1-CG 3.94Å |
| 30 | L | 98.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.8 | 173.3 | -166.3 | 64.1 | 0 | 0 | 0 | 109.8 | F32 H69 E71 L83 P92 L94 I95 L96 | L30-F32 HydrophobicContact CD2-CE1 4.41Å; L30-F32 HydrophobicContact CD2-CE2 3.68Å; L30-F32 HydrophobicContact CD2-CZ 3.49Å; L30-F32 VanDerWaalsContact CD2-CZ 3.49Å; L30-F32 HydrophobicContact CG-CE2 4.02Å; L30-F32 HydrophobicContact CG-CZ 4Å; L30-H69 HydrophobicContact CD1-CB 4.02Å; L30-E71 HydrophobicContact CD1-CG 3.51Å; L30-E71 HydrophobicContact CG-CG 4.3Å; L30-L83 HydrophobicContact CD2-CD1 4.2Å; L30-P92 HydrophobicContact CB-CB 3.8Å; L30-P92 HydrophobicContact CB-CG 4.01Å; L30-P92 HydrophobicContact CD2-CG 4.2Å; L30-L94 PolarHBondContact N-O 3.03Å; L30-I95 HydrophobicContact CB-CG1 4.44Å; L30-I95 CarbonylContact O-C 3.58Å; L30-I95 VanDerWaalsContact O-CA 3.29Å; L30-I95 WeakPolarHBondContact O-CA 3.33Å; L30-L96 PolarHBondContact O-N 3.27Å |
| 31 | V | 98.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.6 | -174.9 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | V29 L33 I50 I68 H69 F70 E71 L96 | V29-V31 HydrophobicContact CG1-CG2 3.95Å; V31-L33 HydrophobicContact CG1-CD1 3.62Å; V31-L33 HydrophobicContact CG1-CG 3.83Å; V31-I50 HydrophobicContact CG1-CD1 3.86Å; V31-I50 HydrophobicContact CG2-CD1 4.43Å; V31-I68 HydrophobicContact CG2-CG2 3.54Å; V31-H69 PolarHBondContact N-O 2.88Å; V31-F70 HydrophobicContact CB-CD1 3.68Å; V31-F70 HydrophobicContact CB-CE1 3.99Å; V31-F70 HydrophobicContact CB-CG 4.38Å; V31-F70 HydrophobicContact CG1-CD1 3.71Å; V31-F70 HydrophobicContact CG1-CE1 3.8Å; V31-F70 HydrophobicContact CG2-CD1 4.23Å; V31-F70 HydrophobicContact CG2-CE1 4.15Å; V31-E71 PolarHBondContact O-N 2.72Å; V31-L96 WeakPolarHBondContact CA-O 3.3Å; V31-L96 HydrophobicContact CB-CB 4.45Å; V31-L96 HydrophobicContact CG1-CB 4.14Å; V31-L96 HydrophobicContact CG2-CB 4.11Å; V31-L96 HydrophobicContact CG2-CD1 4.19Å; V31-L96 HydrophobicContact CG2-CG 4.48Å |
| 32 | F | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.4 | 177.2 | -70.6 | -68 | 0 | 0 | 0 | 110.8 | L30 E71 A79 T82 L83 I95 L96 P98 V107 | L30-F32 HydrophobicContact CD2-CE1 4.41Å; L30-F32 HydrophobicContact CD2-CE2 3.68Å; L30-F32 HydrophobicContact CD2-CZ 3.49Å; L30-F32 VanDerWaalsContact CD2-CZ 3.49Å; L30-F32 HydrophobicContact CG-CE2 4.02Å; L30-F32 HydrophobicContact CG-CZ 4Å; F32-E71 HydrophobicContact CD1-CB 3.61Å; F32-E71 HydrophobicContact CE1-CB 3.58Å; F32-E71 HydrophobicContact CE1-CG 4.1Å; F32-A79 HydrophobicContact CB-CB 4.26Å; F32-A79 HydrophobicContact CD1-CB 3.51Å; F32-A79 HydrophobicContact CD2-CB 4.34Å; F32-A79 HydrophobicContact CE1-CB 3.84Å; F32-A79 HydrophobicContact CG-CB 3.79Å; F32-A79 HydrophobicContact CZ-CB 4.36Å; F32-A79 VanDerWaalsContact CZ-O 3.29Å; F32-A79 WeakPolarHBondContact CZ-O 3.14Å; F32-T82 HydrophobicContact CE1-CG2 4.02Å; F32-T82 HydrophobicContact CZ-CG2 4.39Å; F32-L83 HydrophobicContact CE2-CB 4.46Å; F32-L83 HydrophobicContact CZ-CB 4.14Å; F32-I95 HydrophobicContact CD2-CG2 3.89Å; F32-I95 HydrophobicContact CE2-CG2 4.09Å; F32-L96 PolarHBondContact N-O 3.31Å; F32-P98 HydrophobicContact CB-CB 4.19Å; F32-P98 HydrophobicContact CB-CG 3.81Å; F32-P98 HydrophobicContact CD2-CG 4.28Å; F32-P98 HydrophobicContact CG-CG 4.23Å; F32-V107 HydrophobicContact CD2-CG1 4.31Å; F32-V107 HydrophobicContact CE2-CG1 4.18Å |
| 33 | L | 97.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.5 | 178.1 | -63.3 | 165.5 | 0 | 0 | 0 | 110.7 | V31 F41 H43 V46 F70 E71 S73 V99 F325 | V31-L33 HydrophobicContact CG1-CD1 3.62Å; V31-L33 HydrophobicContact CG1-CG 3.83Å; L33-F41 WeakPolarHBondContact CD2-O 3.46Å; L33-H43 HydrophobicContact CB-CB 4.28Å; L33-V46 HydrophobicContact CD1-CB 3.78Å; L33-V46 HydrophobicContact CD1-CG1 3.64Å; L33-V46 HydrophobicContact CD2-CB 4.35Å; L33-V46 HydrophobicContact CD2-CG1 4.17Å; L33-V46 HydrophobicContact CD2-CG2 4.49Å; L33-F70 HydrophobicContact CD1-CD1 4.24Å; L33-F70 HydrophobicContact CD1-CE1 4.27Å; L33-E71 PolarHBondContact N-O 2.73Å; L33-S73 WeakPolarHBondContact CA-OG 3.31Å; L33-S73 PolarHBondContact N-OG 2.62Å; L33-S73 PolarHBondContact O-N 2.82Å; L33-S73 VanDerWaalsContact O-N 3.07Å; L33-V99 HydrophobicContact CD2-CG2 4.34Å; L33-F325 HydrophobicContact CD2-CD2 4.43Å; L33-F325 HydrophobicContact CD2-CE2 3.79Å; L33-F325 HydrophobicContact CD2-CZ 4.03Å |
| 34 | P | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -60.3 | 143.7 | 172.3 | -21.6 | 33 | 0 | 0 | 0 | 111.6 | F39 F41 S42 H43 S73 D74 | P34-F39 HydrophobicContact CB-CB 4.28Å; P34-F39 HydrophobicContact CB-CD2 3.47Å; P34-F39 VanDerWaalsContact CB-CD2 3.47Å; P34-F39 HydrophobicContact CB-CE2 4.05Å; P34-F39 HydrophobicContact CB-CG 4.07Å; P34-F39 HydrophobicContact CG-CB 4.12Å; P34-F39 HydrophobicContact CG-CD2 3.77Å; P34-F39 HydrophobicContact CG-CE2 4.32Å; P34-F39 HydrophobicContact CG-CG 3.93Å; P34-F41 HydrophobicContact CG-CD2 3.73Å; P34-F41 HydrophobicContact CG-CE2 3.56Å; P34-S42 CarbonylContact O-C 3.56Å; P34-S42 WeakPolarHBondContact O-CA 3.35Å; P34-H43 PolarHBondContact O-N 2.9Å; P34-S73 WeakPolarHBondContact CD-OG 3.34Å; P34-S73 VanDerWaalsContact N-OG 3.16Å; P34-D74 WeakPolarHBondContact CA-OD1 3.28Å; P34-D74 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 35 | Q | 94.3 | Very high | 94.8 | Very high | 85 Ų | 85 | 28.3 Ų | 28.3 | 40% | 0.397 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -84.9 | -18.4 | 165.6 | -64.3 | -64.5 | -29.1 | 0 | 0 | 111.5 | D37 N72 D74 | Q35-D37 PolarHBondContact O-N 2.86Å; Q35-N72 HydrophobicContact CG-CB 3.98Å; Q35-N72 PolarHBondContact N-OD1 2.66Å; Q35-D74 WeakPolarHBondContact CB-OD2 3.12Å; Q35-D74 PolarHBondContact N-OD1 2.85Å; Q35-D74 PolarHBondContact N-OD2 2.71Å |
| 36 | N | 92.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 26.2 Ų | 26.2 | 40% | 0.401 | 14% | 0.137 | S | C | . | . | trans | -70.5 | 115.2 | 174.6 | 179.3 | 6.6 | 0 | 0 | 0 | 111.4 | S38 F39 S42 D74 | N36-S38 VanDerWaalsContact CG-OG 3.25Å; N36-S38 PolarHBondContact ND2-OG 3.49Å; N36-S38 PolarHBondContact O-N 3.45Å; N36-S38 WeakPolarHBondContact OD1-CB 3.28Å; N36-S38 PolarHBondContact OD1-N 3.45Å; N36-S38 PolarHBondContact OD1-OG 3.5Å; N36-S38 VanDerWaalsContact OD1-OG 3.12Å; N36-F39 HydrophobicContact CB-CD2 3.95Å; N36-F39 HydrophobicContact CB-CE2 4.09Å; N36-F39 WeakPolarHBondContact O-CD2 3.34Å; N36-F39 PolarHBondContact O-N 3.49Å; N36-S42 VanDerWaalsContact O-CB 3.29Å; N36-S42 WeakPolarHBondContact O-CB 3.38Å; N36-D74 WeakPolarHBondContact CB-OD1 3.5Å; N36-D74 PolarHBondContact N-OD1 2.62Å | ||
| 37 | D | 89.8 | Confident | 95 | Very high | 49 Ų | 49 | 22 Ų | 22 | 26% | 0.262 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2.1 | -178.2 | -68.1 | -36.4 | 0 | 0 | 0 | 115 | Q35 F39 S42 A44 R45 L309 | Q35-D37 PolarHBondContact O-N 2.86Å; D37-F39 PolarHBondContact O-N 2.98Å; D37-S42 VanDerWaalsContact OD1-CB 3.32Å; D37-S42 WeakPolarHBondContact OD1-CB 3.44Å; D37-S42 PolarHBondContact OD1-OG 3.45Å; D37-A44 WeakPolarHBondContact OD1-CB 3.41Å; D37-R45 PolarHBondContact O-NE 2.88Å; D37-R45 PolarHBondContact O-NH2 2.95Å; D37-L309 HydrophobicContact CB-CD2 4.44Å |
| 38 | S | 87.3 | Confident | 94.9 | Very high | 86 Ų | 86 | 22.9 Ų | 22.9 | 60% | 0.601 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.7 | 167.4 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | N36 | N36-S38 VanDerWaalsContact CG-OG 3.25Å; N36-S38 PolarHBondContact ND2-OG 3.49Å; N36-S38 PolarHBondContact O-N 3.45Å; N36-S38 WeakPolarHBondContact OD1-CB 3.28Å; N36-S38 PolarHBondContact OD1-N 3.45Å; N36-S38 PolarHBondContact OD1-OG 3.5Å; N36-S38 VanDerWaalsContact OD1-OG 3.12Å |
| 39 | F | 91.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 21.2 Ų | 21.2 | 15% | 0.154 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -77.3 | 135.1 | 175.2 | -68 | -76.7 | 0 | 0 | 0 | 110.9 | P34 N36 D37 F41 S42 R45 E174 | P34-F39 HydrophobicContact CB-CB 4.28Å; P34-F39 HydrophobicContact CB-CD2 3.47Å; P34-F39 VanDerWaalsContact CB-CD2 3.47Å; P34-F39 HydrophobicContact CB-CE2 4.05Å; P34-F39 HydrophobicContact CB-CG 4.07Å; P34-F39 HydrophobicContact CG-CB 4.12Å; P34-F39 HydrophobicContact CG-CD2 3.77Å; P34-F39 HydrophobicContact CG-CE2 4.32Å; P34-F39 HydrophobicContact CG-CG 3.93Å; N36-F39 HydrophobicContact CB-CD2 3.95Å; N36-F39 HydrophobicContact CB-CE2 4.09Å; N36-F39 WeakPolarHBondContact O-CD2 3.34Å; N36-F39 PolarHBondContact O-N 3.49Å; D37-F39 PolarHBondContact O-N 2.98Å; F39-F41 HydrophobicContact CB-CD2 4.15Å; F39-F41 HydrophobicContact CB-CE1 4.48Å; F39-F41 HydrophobicContact CB-CE2 4Å; F39-F41 HydrophobicContact CB-CG 4.45Å; F39-F41 HydrophobicContact CB-CZ 4.18Å; F39-F41 HydrophobicContact CD1-CE1 4.14Å; F39-F41 AromaticContact CD1-CE2 3.78Å; F39-F41 HydrophobicContact CD1-CE2 3.78Å; F39-F41 AromaticContact CD1-CZ 3.44Å; F39-F41 HydrophobicContact CD1-CZ 3.44Å; F39-F41 VanDerWaalsContact CD1-CZ 3.44Å; F39-F41 HydrophobicContact CE1-CZ 4.15Å; F39-F41 HydrophobicContact CG-CE2 4.02Å; F39-F41 HydrophobicContact CG-CZ 4.1Å; F39-F41 PolarHBondContact O-N 3.48Å; F39-F41 VanDerWaalsContact O-N 3.09Å; F39-S42 PolarHBondContact O-N 2.91Å; F39-S42 VanDerWaalsContact O-N 3.11Å; F39-R45 WeakPolarHBondContact O-CD 3.36Å; F39-R45 PolarHBondContact O-NE 3.46Å; F39-E174 HydrophobicContact CE1-CG 4.1Å |
| 40 | L | 92.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 21.2 Ų | 21.2 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.2 | 174.9 | -66 | 175.5 | 0 | 0 | 0 | 113.1 | R45 F253 A255 Y258 D314 N319 F321 | L40-R45 VanDerWaalsContact O-CD 3.32Å; L40-R45 WeakPolarHBondContact O-CD 3.37Å; L40-F253 HydrophobicContact CD1-CB 4.04Å; L40-F253 HydrophobicContact CD1-CD2 3.77Å; L40-F253 HydrophobicContact CD1-CG 4.34Å; L40-A255 HydrophobicContact CD1-CB 3.5Å; L40-A255 HydrophobicContact CD2-CB 4.12Å; L40-A255 HydrophobicContact CG-CB 4.48Å; L40-Y258 HydrophobicContact CD1-CE2 4.28Å; L40-D314 HydrophobicContact CD2-CB 3.83Å; L40-N319 PolarHBondContact O-ND2 3.16Å; L40-F321 HydrophobicContact CB-CD2 4Å; L40-F321 HydrophobicContact CB-CE2 4.07Å; L40-F321 HydrophobicContact CD1-CE2 4.44Å |
| 41 | F | 94.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 4% | 0.044 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 27.6 | -179.4 | 48.5 | -94 | 0 | 0 | 0 | 112.5 | L33 P34 F39 V46 V99 R100 F321 | L33-F41 WeakPolarHBondContact CD2-O 3.46Å; P34-F41 HydrophobicContact CG-CD2 3.73Å; P34-F41 HydrophobicContact CG-CE2 3.56Å; F39-F41 HydrophobicContact CB-CD2 4.15Å; F39-F41 HydrophobicContact CB-CE1 4.48Å; F39-F41 HydrophobicContact CB-CE2 4Å; F39-F41 HydrophobicContact CB-CG 4.45Å; F39-F41 HydrophobicContact CB-CZ 4.18Å; F39-F41 HydrophobicContact CD1-CE1 4.14Å; F39-F41 AromaticContact CD1-CE2 3.78Å; F39-F41 HydrophobicContact CD1-CE2 3.78Å; F39-F41 AromaticContact CD1-CZ 3.44Å; F39-F41 HydrophobicContact CD1-CZ 3.44Å; F39-F41 VanDerWaalsContact CD1-CZ 3.44Å; F39-F41 HydrophobicContact CE1-CZ 4.15Å; F39-F41 HydrophobicContact CG-CE2 4.02Å; F39-F41 HydrophobicContact CG-CZ 4.1Å; F39-F41 PolarHBondContact O-N 3.48Å; F39-F41 VanDerWaalsContact O-N 3.09Å; F41-V46 HydrophobicContact CB-CG2 4.19Å; F41-V99 HydrophobicContact CB-CG1 4.42Å; F41-V99 HydrophobicContact CB-CG2 4.02Å; F41-V99 HydrophobicContact CD1-CB 4.35Å; F41-V99 HydrophobicContact CD1-CG1 3.65Å; F41-V99 HydrophobicContact CD2-CB 3.6Å; F41-V99 HydrophobicContact CD2-CG1 3.84Å; F41-V99 HydrophobicContact CD2-CG2 3.77Å; F41-V99 HydrophobicContact CE1-CB 4.46Å; F41-V99 HydrophobicContact CE1-CG1 3.73Å; F41-V99 HydrophobicContact CE2-CB 3.75Å; F41-V99 HydrophobicContact CE2-CG1 3.92Å; F41-V99 HydrophobicContact CE2-CG2 4.42Å; F41-V99 HydrophobicContact CG-CB 3.92Å; F41-V99 HydrophobicContact CG-CG1 3.7Å; F41-V99 HydrophobicContact CG-CG2 3.9Å; F41-V99 HydrophobicContact CZ-CB 4.18Å; F41-V99 HydrophobicContact CZ-CG1 3.86Å; F41-R100 HydrophobicContact CE2-CG 3.76Å; F41-R100 HydrophobicContact CZ-CG 3.77Å; F41-F321 HydrophobicContact CB-CB 3.76Å; F41-F321 HydrophobicContact CB-CD1 4.24Å; F41-F321 HydrophobicContact CB-CD2 3.99Å; F41-F321 HydrophobicContact CB-CG 3.74Å; F41-F321 HydrophobicContact CD1-CD1 4.24Å; F41-F321 AromaticContact CD1-CD2 3.75Å; F41-F321 HydrophobicContact CD1-CD2 3.75Å; F41-F321 HydrophobicContact CD1-CE1 4.1Å; F41-F321 AromaticContact CD1-CE2 3.59Å; F41-F321 HydrophobicContact CD1-CE2 3.59Å; F41-F321 HydrophobicContact CD1-CG 4.07Å; F41-F321 AromaticContact CD1-CZ 3.76Å; F41-F321 HydrophobicContact CD1-CZ 3.76Å; F41-F321 HydrophobicContact CE1-CE2 4.26Å; F41-F321 HydrophobicContact CE1-CZ 4.17Å; F41-F321 HydrophobicContact CG-CD2 4.37Å; F41-F321 HydrophobicContact CG-CG 4.34Å |
| 42 | S | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -60.8 | 159.9 | 174.5 | 81.3 | 0 | 0 | 0 | 0 | 111.8 | P34 N36 D37 F39 A44 R45 V46 | P34-S42 CarbonylContact O-C 3.56Å; P34-S42 WeakPolarHBondContact O-CA 3.35Å; N36-S42 VanDerWaalsContact O-CB 3.29Å; N36-S42 WeakPolarHBondContact O-CB 3.38Å; D37-S42 VanDerWaalsContact OD1-CB 3.32Å; D37-S42 WeakPolarHBondContact OD1-CB 3.44Å; D37-S42 PolarHBondContact OD1-OG 3.45Å; F39-S42 PolarHBondContact O-N 2.91Å; F39-S42 VanDerWaalsContact O-N 3.11Å; S42-A44 VanDerWaalsContact C-N 3.26Å; S42-A44 PolarHBondContact O-N 3.27Å; S42-A44 PolarHBondContact OG-N 3.22Å; S42-R45 PolarHBondContact O-N 2.98Å; S42-R45 WeakPolarHBondContact OG-CG 3.36Å; S42-R45 PolarHBondContact OG-N 3.46Å; S42-V46 PolarHBondContact O-N 3.36Å | ||
| 43 | H | 95.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 29.6 Ų | 29.6 | 19% | 0.19 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -52.5 | -44.6 | 174.3 | 167.9 | -93.5 | 0 | 0 | 0 | 111.7 | L33 P34 R45 V46 A47 F70 | L33-H43 HydrophobicContact CB-CB 4.28Å; P34-H43 PolarHBondContact O-N 2.9Å; H43-R45 VanDerWaalsContact C-N 3.25Å; H43-R45 PolarHBondContact O-N 3.37Å; H43-V46 PolarHBondContact O-N 2.84Å; H43-A47 WeakPolarHBondContact O-CB 3.42Å; H43-A47 PolarHBondContact O-N 2.84Å; H43-F70 AromaticContact CD2-CD1 3.48Å; H43-F70 VanDerWaalsContact CD2-CD1 3.48Å; H43-F70 WeakPolarHBondContact CD2-CD1 3.33Å; H43-F70 AromaticContact CD2-CG 3.59Å; H43-F70 AromaticContact NE2-CD1 3.95Å; H43-F70 AromaticContact NE2-CG 3.69Å |
| 44 | A | 93.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -36 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D37 S42 P48 I304 L307 L309 | D37-A44 WeakPolarHBondContact OD1-CB 3.41Å; S42-A44 VanDerWaalsContact C-N 3.26Å; S42-A44 PolarHBondContact O-N 3.27Å; S42-A44 PolarHBondContact OG-N 3.22Å; A44-P48 WeakPolarHBondContact O-CD 3.38Å; A44-I304 WeakPolarHBondContact O-CD1 3.35Å; A44-L307 HydrophobicContact CB-CD1 3.94Å; A44-L309 HydrophobicContact CB-CD1 3.73Å |
| 45 | R | 92.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 6% | 0.06 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -78.4 | -40.5 | -179.4 | -63.6 | -179.6 | -168.7 | -135.2 | 9 | 113.3 | D37 F39 L40 S42 H43 I304 N313 C315 | D37-R45 PolarHBondContact O-NE 2.88Å; D37-R45 PolarHBondContact O-NH2 2.95Å; F39-R45 WeakPolarHBondContact O-CD 3.36Å; F39-R45 PolarHBondContact O-NE 3.46Å; L40-R45 VanDerWaalsContact O-CD 3.32Å; L40-R45 WeakPolarHBondContact O-CD 3.37Å; S42-R45 PolarHBondContact O-N 2.98Å; S42-R45 WeakPolarHBondContact OG-CG 3.36Å; S42-R45 PolarHBondContact OG-N 3.46Å; H43-R45 VanDerWaalsContact C-N 3.25Å; H43-R45 PolarHBondContact O-N 3.37Å; R45-I304 HydrophobicContact CG-CD1 4.23Å; R45-N313 PolarHBondContact NH1-O 3.39Å; R45-N313 VanDerWaalsContact NH1-O 3.11Å; R45-N313 PolarHBondContact NH2-O 3.14Å; R45-C315 PolarHBondContact NH2-SG 2.87Å |
| 46 | V | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -97.4 | -33.4 | -169.1 | 170.2 | 0 | 0 | 0 | 0 | 113.5 | L33 F41 S42 H43 P48 A49 I50 F321 V322 F325 | L33-V46 HydrophobicContact CD1-CB 3.78Å; L33-V46 HydrophobicContact CD1-CG1 3.64Å; L33-V46 HydrophobicContact CD2-CB 4.35Å; L33-V46 HydrophobicContact CD2-CG1 4.17Å; L33-V46 HydrophobicContact CD2-CG2 4.49Å; F41-V46 HydrophobicContact CB-CG2 4.19Å; S42-V46 PolarHBondContact O-N 3.36Å; H43-V46 PolarHBondContact O-N 2.84Å; V46-P48 VanDerWaalsContact C-CD 3.41Å; V46-P48 VanDerWaalsContact C-N 3.32Å; V46-A49 WeakPolarHBondContact O-CB 3.43Å; V46-A49 PolarHBondContact O-N 3.47Å; V46-I50 HydrophobicContact CG1-CD1 3.86Å; V46-I50 HydrophobicContact CG1-CG1 4.2Å; V46-I50 PolarHBondContact O-N 3.47Å; V46-F321 HydrophobicContact CG2-CB 4.49Å; V46-V322 HydrophobicContact CG2-CG2 4.31Å; V46-F325 HydrophobicContact CB-CD2 4.42Å; V46-F325 HydrophobicContact CG1-CB 3.57Å; V46-F325 HydrophobicContact CG1-CD2 3.39Å; V46-F325 HydrophobicContact CG1-CE2 4.21Å; V46-F325 HydrophobicContact CG1-CG 3.63Å; V46-F325 HydrophobicContact CG2-CD2 4.13Å |
| 47 | A | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.3 | -37.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H43 A49 I50 R51 F70 | H43-A47 WeakPolarHBondContact O-CB 3.42Å; H43-A47 PolarHBondContact O-N 2.84Å; A47-A49 VanDerWaalsContact C-N 3.31Å; A47-A49 PolarHBondContact O-N 2.93Å; A47-I50 PolarHBondContact O-N 3.42Å; A47-R51 WeakPolarHBondContact O-CG 3.32Å; A47-R51 PolarHBondContact O-N 3.47Å; A47-R51 VanDerWaalsContact O-N 3.09Å; A47-F70 HydrophobicContact CB-CD1 4.34Å; A47-F70 HydrophobicContact CB-CE1 3.64Å; A47-F70 HydrophobicContact CB-CE2 4.39Å; A47-F70 HydrophobicContact CB-CZ 3.66Å |
| 48 | P | 96.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 35 Ų | 35 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | 173 | -25.7 | 36.4 | 0 | 0 | 0 | 113.5 | A44 V46 R51 Y52 M300 | A44-P48 WeakPolarHBondContact O-CD 3.38Å; V46-P48 VanDerWaalsContact C-CD 3.41Å; V46-P48 VanDerWaalsContact C-N 3.32Å; P48-R51 PolarHBondContact O-N 3.3Å; P48-Y52 WeakPolarHBondContact O-CB 3.4Å; P48-Y52 PolarHBondContact O-N 3.03Å; P48-M300 HydrophobicContact CB-CE 3.98Å; P48-M300 HydrophobicContact CB-SD 3.87Å |
| 49 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.9 | -40.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V46 A47 Y52 A53 F296 M300 V322 H326 | V46-A49 WeakPolarHBondContact O-CB 3.43Å; V46-A49 PolarHBondContact O-N 3.47Å; A47-A49 VanDerWaalsContact C-N 3.31Å; A47-A49 PolarHBondContact O-N 2.93Å; A49-Y52 WeakPolarHBondContact O-CB 3.27Å; A49-Y52 PolarHBondContact O-N 3.45Å; A49-A53 PolarHBondContact O-N 3.36Å; A49-F296 HydrophobicContact CB-CE2 3.96Å; A49-F296 HydrophobicContact CB-CZ 3.76Å; A49-M300 HydrophobicContact CB-SD 3.75Å; A49-M300 PolarHBondContact N-SD 3.31Å; A49-V322 HydrophobicContact CB-CG1 3.73Å; A49-V322 VanDerWaalsContact CB-O 3.27Å; A49-V322 WeakPolarHBondContact CB-O 3.21Å; A49-H326 HydrophobicContact CB-CB 4.24Å |
| 50 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 175.5 | -63.9 | 173.3 | 0 | 0 | 0 | 110.3 | V31 V46 A47 A53 Q54 I68 F70 L96 F325 L329 | V31-I50 HydrophobicContact CG1-CD1 3.86Å; V31-I50 HydrophobicContact CG2-CD1 4.43Å; V46-I50 HydrophobicContact CG1-CD1 3.86Å; V46-I50 HydrophobicContact CG1-CG1 4.2Å; V46-I50 PolarHBondContact O-N 3.47Å; A47-I50 PolarHBondContact O-N 3.42Å; I50-A53 PolarHBondContact O-N 2.96Å; I50-Q54 PolarHBondContact O-N 2.98Å; I50-I68 HydrophobicContact CG2-CD1 3.75Å; I50-I68 HydrophobicContact CG2-CG2 4.5Å; I50-F70 HydrophobicContact CD1-CE1 4.04Å; I50-L96 HydrophobicContact CD1-CD1 4.08Å; I50-L96 HydrophobicContact CG2-CD1 4.41Å; I50-F325 HydrophobicContact CD1-CB 4.16Å; I50-F325 HydrophobicContact CD1-CD1 4.48Å; I50-F325 HydrophobicContact CD1-CG 4.47Å; I50-F325 HydrophobicContact CG1-CB 3.9Å; I50-L329 HydrophobicContact CG2-CD2 4.31Å |
| 51 | R | 97.7 | Very high | 95.8 | Very high | 109 Ų | 109 | 38.4 Ų | 38.4 | 41% | 0.411 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.9 | -38.8 | 176.8 | -69.5 | -176.6 | -169.9 | 106.5 | 5.4 | 112 | A47 P48 A53 Q54 D55 | A47-R51 WeakPolarHBondContact O-CG 3.32Å; A47-R51 PolarHBondContact O-N 3.47Å; A47-R51 VanDerWaalsContact O-N 3.09Å; P48-R51 PolarHBondContact O-N 3.3Å; R51-A53 VanDerWaalsContact C-N 3.33Å; R51-A53 PolarHBondContact O-N 3.35Å; R51-Q54 WeakPolarHBondContact O-CB 3.37Å; R51-Q54 PolarHBondContact O-N 3.37Å; R51-D55 PolarHBondContact O-N 3.44Å |
| 52 | Y | 97.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58 | -46.6 | 173.6 | -170.6 | -81.2 | 0 | 0 | 0 | 111.4 | P48 A49 D55 R56 F296 E299 M300 H326 I364 | P48-Y52 WeakPolarHBondContact O-CB 3.4Å; P48-Y52 PolarHBondContact O-N 3.03Å; A49-Y52 WeakPolarHBondContact O-CB 3.27Å; A49-Y52 PolarHBondContact O-N 3.45Å; Y52-D55 PolarHBondContact O-N 2.91Å; Y52-R56 PolarHBondContact O-N 2.91Å; Y52-R56 VanDerWaalsContact O-N 3.12Å; Y52-F296 AromaticContact CD1-CD2 3.79Å; Y52-F296 HydrophobicContact CD1-CD2 3.79Å; Y52-F296 HydrophobicContact CD1-CE2 4.25Å; Y52-F296 HydrophobicContact CD2-CD2 4.32Å; Y52-F296 HydrophobicContact CE1-CD2 4.02Å; Y52-F296 AromaticContact CG-CD2 3.96Å; Y52-F296 HydrophobicContact CG-CD2 3.96Å; Y52-F296 HydrophobicContact CG-CE2 4.29Å; Y52-E299 HydrophobicContact CD2-CB 4.35Å; Y52-E299 HydrophobicContact CD2-CG 4Å; Y52-E299 HydrophobicContact CE2-CB 4.23Å; Y52-E299 HydrophobicContact CE2-CG 4.2Å; Y52-M300 HydrophobicContact CD2-CE 4.31Å; Y52-M300 HydrophobicContact CG-CE 4.46Å; Y52-H326 AromaticContact CD1-CD2 3.77Å; Y52-H326 AromaticContact CD1-NE2 3.79Å; Y52-I364 HydrophobicContact CE1-CD1 4.45Å |
| 53 | A | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A49 I50 R51 D55 R56 L57 H326 L329 | A49-A53 PolarHBondContact O-N 3.36Å; I50-A53 PolarHBondContact O-N 2.96Å; R51-A53 VanDerWaalsContact C-N 3.33Å; R51-A53 PolarHBondContact O-N 3.35Å; A53-D55 VanDerWaalsContact C-N 3.31Å; A53-D55 PolarHBondContact O-N 2.95Å; A53-R56 PolarHBondContact O-N 3.37Å; A53-L57 WeakPolarHBondContact O-CB 3.44Å; A53-L57 WeakPolarHBondContact O-CD1 3.41Å; A53-L57 WeakPolarHBondContact O-CG 3.41Å; A53-L57 PolarHBondContact O-N 2.87Å; A53-H326 HydrophobicContact CB-CB 4.49Å; A53-L329 HydrophobicContact CB-CB 4.15Å; A53-L329 HydrophobicContact CB-CD2 4.1Å |
| 54 | Q | 97.7 | Very high | 95.6 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -44.6 | 178.9 | -175.1 | -173.8 | 22.5 | 0 | 0 | 112 | I50 R51 L57 K58 F66 I68 L329 | I50-Q54 PolarHBondContact O-N 2.98Å; R51-Q54 WeakPolarHBondContact O-CB 3.37Å; R51-Q54 PolarHBondContact O-N 3.37Å; Q54-L57 PolarHBondContact O-N 3.39Å; Q54-K58 PolarHBondContact O-N 2.72Å; Q54-F66 HydrophobicContact CG-CB 4.29Å; Q54-F66 HydrophobicContact CG-CD2 4.38Å; Q54-F66 PolarHBondContact NE2-O 2.84Å; Q54-I68 HydrophobicContact CB-CD1 4.34Å; Q54-I68 HydrophobicContact CG-CD1 4.33Å; Q54-L329 HydrophobicContact CB-CD2 3.98Å |
| 55 | D | 96.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 45.1 Ų | 45.1 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 179.7 | -77.8 | -25.9 | 0 | 0 | 0 | 112.4 | R51 Y52 A53 K58 | R51-D55 PolarHBondContact O-N 3.44Å; Y52-D55 PolarHBondContact O-N 2.91Å; A53-D55 VanDerWaalsContact C-N 3.31Å; A53-D55 PolarHBondContact O-N 2.95Å; D55-K58 WeakPolarHBondContact O-CB 3.26Å; D55-K58 PolarHBondContact O-N 3.47Å; D55-K58 IonicContact OD1-NZ 3.79Å; D55-K58 PolarHBondContact OD1-NZ 3.08Å |
| 56 | R | 94.9 | Very high | 96 | Very high | 72 Ų | 72 | 44.9 Ų | 44.9 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 173.9 | 177.9 | -178.3 | 151 | -174.9 | -9.4 | 111.6 | Y52 A53 K58 A59 E60 | Y52-R56 PolarHBondContact O-N 2.91Å; Y52-R56 VanDerWaalsContact O-N 3.12Å; A53-R56 PolarHBondContact O-N 3.37Å; R56-K58 PolarHBondContact O-N 2.65Å; R56-A59 PolarHBondContact O-N 3.02Å; R56-E60 IonicContact CZ-OE1 3.25Å; R56-E60 IonicContact NE-OE1 3.07Å; R56-E60 PolarHBondContact NE-OE1 3.48Å; R56-E60 IonicContact NH2-OE1 3.65Å; R56-E60 PolarHBondContact NH2-OE1 2.89Å; R56-E60 VanDerWaalsContact NH2-OE1 3.11Å |
| 57 | L | 96.4 | Very high | 96 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -20.8 | -176.8 | -71.8 | 164.6 | 0 | 0 | 0 | 113.6 | A53 Q54 A59 E60 Y61 F66 L329 S333 | A53-L57 WeakPolarHBondContact O-CB 3.44Å; A53-L57 WeakPolarHBondContact O-CD1 3.41Å; A53-L57 WeakPolarHBondContact O-CG 3.41Å; A53-L57 PolarHBondContact O-N 2.87Å; Q54-L57 PolarHBondContact O-N 3.39Å; L57-A59 PolarHBondContact O-N 3.09Å; L57-E60 PolarHBondContact O-N 2.92Å; L57-Y61 HydrophobicContact CD2-CD2 3.58Å; L57-Y61 HydrophobicContact CD2-CE2 3.72Å; L57-Y61 CarbonylContact O-C 3.53Å; L57-Y61 WeakPolarHBondContact O-CA 3.17Å; L57-Y61 PolarHBondContact O-N 3.1Å; L57-F66 HydrophobicContact CB-CE2 4.45Å; L57-F66 HydrophobicContact CD1-CE2 4.24Å; L57-L329 HydrophobicContact CD1-CB 4.28Å; L57-L329 HydrophobicContact CD1-CD2 3.9Å; L57-L329 HydrophobicContact CD1-CG 3.69Å; L57-S333 VanDerWaalsContact CD1-OG 3.32Å; L57-S333 WeakPolarHBondContact CD1-OG 3.36Å |
| 58 | K | 94.7 | Very high | 96.1 | Very high | 117 Ų | 117 | 49 Ų | 49 | 51% | 0.509 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.4 | -32.9 | 172.7 | -70.3 | 168.8 | -176.3 | 164 | 0 | 112.7 | Q54 D55 R56 P62 | Q54-K58 PolarHBondContact O-N 2.72Å; D55-K58 WeakPolarHBondContact O-CB 3.26Å; D55-K58 PolarHBondContact O-N 3.47Å; D55-K58 IonicContact OD1-NZ 3.79Å; D55-K58 PolarHBondContact OD1-NZ 3.08Å; R56-K58 PolarHBondContact O-N 2.65Å; K58-P62 VanDerWaalsContact O-CA 3.32Å; K58-P62 WeakPolarHBondContact O-CA 3.3Å |
| 59 | A | 93.1 | Very high | 96.1 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 74% | 0.744 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -81.6 | -37.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R56 L57 | R56-A59 PolarHBondContact O-N 3.02Å; L57-A59 PolarHBondContact O-N 3.09Å |
| 60 | E | 93.5 | Very high | 96.2 | Very high | 83 Ų | 83 | 54 Ų | 54 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -78 | -38.2 | -177.5 | -63.9 | -177.4 | -155.2 | 0 | 0 | 112.6 | R56 L57 | R56-E60 IonicContact CZ-OE1 3.25Å; R56-E60 IonicContact NE-OE1 3.07Å; R56-E60 PolarHBondContact NE-OE1 3.48Å; R56-E60 IonicContact NH2-OE1 3.65Å; R56-E60 PolarHBondContact NH2-OE1 2.89Å; R56-E60 VanDerWaalsContact NH2-OE1 3.11Å; L57-E60 PolarHBondContact O-N 2.92Å |
| 61 | Y | 94.6 | Very high | 96.1 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 14% | 0.137 | 28% | 0.282 | C | S | . | . | trans | -132.9 | 70.6 | -177.6 | -55.2 | -82.9 | 0 | 0 | 0 | 110.3 | L57 G63 F64 I334 H337 | L57-Y61 HydrophobicContact CD2-CD2 3.58Å; L57-Y61 HydrophobicContact CD2-CE2 3.72Å; L57-Y61 CarbonylContact O-C 3.53Å; L57-Y61 WeakPolarHBondContact O-CA 3.17Å; L57-Y61 PolarHBondContact O-N 3.1Å; Y61-G63 PolarHBondContact O-N 3.02Å; Y61-F64 HydrophobicContact CD1-CD2 4.3Å; Y61-F64 AromaticContact CD1-CE2 3.99Å; Y61-F64 HydrophobicContact CD1-CE2 3.99Å; Y61-F64 AromaticContact CG-CD2 3.96Å; Y61-F64 HydrophobicContact CG-CD2 3.96Å; Y61-F64 HydrophobicContact CG-CE2 4.11Å; Y61-F64 PolarHBondContact O-N 3.03Å; Y61-I334 WeakPolarHBondContact OH-CG1 3.25Å; Y61-H337 HydrophobicContact CD1-CB 3.93Å; Y61-H337 AromaticContact CD1-CG 3.95Å; Y61-H337 HydrophobicContact CE1-CB 3.65Å; Y61-H337 AromaticContact CE1-CD2 3.7Å; Y61-H337 AromaticContact CE1-CG 3.69Å | ||
| 62 | P | 91.7 | Very high | 96 | Very high | 98 Ų | 98 | 53.3 Ų | 53.3 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -11.6 | -175 | 26.3 | -36.2 | 0 | 0 | 0 | 114.4 | K58 | K58-P62 VanDerWaalsContact O-CA 3.32Å; K58-P62 WeakPolarHBondContact O-CA 3.3Å |
| 63 | G | 92.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -20.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F23 T24 E25 Y61 H65 | F23-G63 CarbonylContact O-C 3.42Å; F23-G63 WeakPolarHBondContact O-CA 3.47Å; T24-G63 CarbonylContact C-O 3.59Å; T24-G63 WeakPolarHBondContact CA-O 3.19Å; E25-G63 PolarHBondContact N-O 3.32Å; Y61-G63 PolarHBondContact O-N 3.02Å; G63-H65 PolarHBondContact O-ND1 2.95Å |
| 64 | F | 96.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.8 | -173.2 | -65.9 | -10.4 | 0 | 0 | 0 | 111.7 | E25 I27 Y61 F66 S333 L336 H337 M340 | E25-F64 HydrophobicContact CB-CD1 4.14Å; E25-F64 HydrophobicContact CB-CE1 4.5Å; E25-F64 HydrophobicContact CG-CE1 4.45Å; I27-F64 HydrophobicContact CD1-CB 3.79Å; I27-F64 HydrophobicContact CD1-CD1 4.16Å; I27-F64 HydrophobicContact CD1-CD2 4.33Å; I27-F64 HydrophobicContact CD1-CG 3.85Å; Y61-F64 HydrophobicContact CD1-CD2 4.3Å; Y61-F64 AromaticContact CD1-CE2 3.99Å; Y61-F64 HydrophobicContact CD1-CE2 3.99Å; Y61-F64 AromaticContact CG-CD2 3.96Å; Y61-F64 HydrophobicContact CG-CD2 3.96Å; Y61-F64 HydrophobicContact CG-CE2 4.11Å; Y61-F64 PolarHBondContact O-N 3.03Å; F64-F66 HydrophobicContact CB-CE2 3.84Å; F64-F66 HydrophobicContact CB-CZ 4.05Å; F64-F66 HydrophobicContact CD2-CZ 4.24Å; F64-S333 WeakPolarHBondContact CE2-O 3.21Å; F64-L336 HydrophobicContact CD1-CD2 4.41Å; F64-L336 HydrophobicContact CD2-CD2 4.37Å; F64-L336 HydrophobicContact CE1-CD2 4.05Å; F64-L336 HydrophobicContact CE1-CG 4.27Å; F64-L336 HydrophobicContact CE2-CB 4.17Å; F64-L336 HydrophobicContact CE2-CD2 4.01Å; F64-L336 HydrophobicContact CE2-CG 4.14Å; F64-L336 HydrophobicContact CZ-CB 4.17Å; F64-L336 HydrophobicContact CZ-CD2 3.83Å; F64-L336 HydrophobicContact CZ-CG 3.74Å; F64-H337 HydrophobicContact CE2-CB 4.03Å; F64-H337 HydrophobicContact CZ-CB 3.92Å; F64-M340 HydrophobicContact CE1-SD 3.73Å; F64-M340 HydrophobicContact CZ-SD 4.13Å |
| 65 | H | 96.7 | Very high | 95.1 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 103.2 | 178.7 | -63.7 | 78.7 | 0 | 0 | 0 | 108.4 | E25 E26 I27 G63 | E25-H65 PolarHBondContact O-N 3.29Å; E26-H65 CarbonylContact C-O 3.53Å; E26-H65 WeakPolarHBondContact CA-O 3.45Å; E26-H65 WeakPolarHBondContact OE1-CB 3.24Å; E26-H65 IonicContact OE1-CG 2.69Å; I27-H65 PolarHBondContact N-O 3.31Å; G63-H65 PolarHBondContact O-ND1 2.95Å |
| 66 | F | 97.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.6 | -178.5 | -62.5 | -81.5 | 0 | 0 | 0 | 111.4 | I27 V29 Q54 L57 F64 I68 L329 Y332 S333 | I27-F66 HydrophobicContact CB-CD1 3.86Å; I27-F66 HydrophobicContact CB-CE1 4.16Å; I27-F66 HydrophobicContact CD1-CD1 3.95Å; I27-F66 HydrophobicContact CD1-CE1 3.5Å; I27-F66 HydrophobicContact CD1-CZ 3.83Å; I27-F66 HydrophobicContact CG1-CE1 4.44Å; I27-F66 HydrophobicContact CG2-CD1 3.8Å; I27-F66 HydrophobicContact CG2-CE1 3.95Å; V29-F66 HydrophobicContact CG2-CB 4.43Å; V29-F66 HydrophobicContact CG2-CD1 3.8Å; Q54-F66 HydrophobicContact CG-CB 4.29Å; Q54-F66 HydrophobicContact CG-CD2 4.38Å; Q54-F66 PolarHBondContact NE2-O 2.84Å; L57-F66 HydrophobicContact CB-CE2 4.45Å; L57-F66 HydrophobicContact CD1-CE2 4.24Å; F64-F66 HydrophobicContact CB-CE2 3.84Å; F64-F66 HydrophobicContact CB-CZ 4.05Å; F64-F66 HydrophobicContact CD2-CZ 4.24Å; F66-I68 HydrophobicContact CB-CD1 4.29Å; F66-I68 HydrophobicContact CB-CG1 4.03Å; F66-L329 HydrophobicContact CD1-CD1 3.83Å; F66-L329 HydrophobicContact CE1-CD1 3.79Å; F66-L329 HydrophobicContact CG-CD1 4.33Å; F66-L329 HydrophobicContact CZ-CD1 4.27Å; F66-Y332 AromaticContact CE1-CD1 3.9Å; F66-Y332 HydrophobicContact CE1-CD1 3.9Å; F66-Y332 AromaticContact CE1-CE1 3.98Å; F66-Y332 HydrophobicContact CE1-CE1 3.98Å; F66-Y332 HydrophobicContact CZ-CD1 4.5Å; F66-S333 VanDerWaalsContact CZ-OG 3.23Å; F66-S333 WeakPolarHBondContact CZ-OG 3.28Å |
| 67 | N | 97.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 96.8 | 171.2 | -64.3 | -36.7 | 0 | 0 | 0 | 108.4 | E26 I27 E28 V29 H69 | E26-N67 PolarHBondContact OE2-ND2 2.76Å; I27-N67 PolarHBondContact O-N 2.96Å; E28-N67 WeakPolarHBondContact OE1-CB 3.33Å; E28-N67 PolarHBondContact OE1-ND2 2.88Å; V29-N67 PolarHBondContact N-O 2.8Å; N67-H69 PolarHBondContact O-CD2 3.27Å |
| 68 | I | 98.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 16% | 0.164 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.3 | -170.3 | -54.3 | 173.3 | 0 | 0 | 0 | 110.4 | V29 V31 I50 Q54 F66 F70 | V29-I68 HydrophobicContact CB-CG1 4.12Å; V29-I68 HydrophobicContact CG2-CG1 4.35Å; V31-I68 HydrophobicContact CG2-CG2 3.54Å; I50-I68 HydrophobicContact CG2-CD1 3.75Å; I50-I68 HydrophobicContact CG2-CG2 4.5Å; Q54-I68 HydrophobicContact CB-CD1 4.34Å; Q54-I68 HydrophobicContact CG-CD1 4.33Å; F66-I68 HydrophobicContact CB-CD1 4.29Å; F66-I68 HydrophobicContact CB-CG1 4.03Å; I68-F70 HydrophobicContact CB-CE2 4.42Å; I68-F70 HydrophobicContact CG2-CD2 4.16Å; I68-F70 HydrophobicContact CG2-CE1 4.37Å; I68-F70 HydrophobicContact CG2-CE2 3.57Å; I68-F70 HydrophobicContact CG2-CZ 3.71Å |
| 69 | H | 97.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.2 | 177.6 | -55.3 | -85.4 | 0 | 0 | 0 | 109.9 | E28 V29 L30 V31 N67 | E28-H69 IonicContact OE2-CD2 3.69Å; E28-H69 PolarHBondContact OE2-CD2 3.38Å; E28-H69 IonicContact OE2-CE1 2.77Å; E28-H69 IonicContact OE2-NE2 3.47Å; E28-H69 PolarHBondContact OE2-NE2 2.89Å; V29-H69 PolarHBondContact O-N 2.78Å; L30-H69 HydrophobicContact CD1-CB 4.02Å; V31-H69 PolarHBondContact N-O 2.88Å; N67-H69 PolarHBondContact O-CD2 3.27Å |
| 70 | F | 98 | Very high | 94.4 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.7 | 177 | -65.3 | -88.5 | 0 | 0 | 0 | 110.3 | V31 L33 H43 A47 I50 I68 | V31-F70 HydrophobicContact CB-CD1 3.68Å; V31-F70 HydrophobicContact CB-CE1 3.99Å; V31-F70 HydrophobicContact CB-CG 4.38Å; V31-F70 HydrophobicContact CG1-CD1 3.71Å; V31-F70 HydrophobicContact CG1-CE1 3.8Å; V31-F70 HydrophobicContact CG2-CD1 4.23Å; V31-F70 HydrophobicContact CG2-CE1 4.15Å; L33-F70 HydrophobicContact CD1-CD1 4.24Å; L33-F70 HydrophobicContact CD1-CE1 4.27Å; H43-F70 AromaticContact CD2-CD1 3.48Å; H43-F70 VanDerWaalsContact CD2-CD1 3.48Å; H43-F70 WeakPolarHBondContact CD2-CD1 3.33Å; H43-F70 AromaticContact CD2-CG 3.59Å; H43-F70 AromaticContact NE2-CD1 3.95Å; H43-F70 AromaticContact NE2-CG 3.69Å; A47-F70 HydrophobicContact CB-CD1 4.34Å; A47-F70 HydrophobicContact CB-CE1 3.64Å; A47-F70 HydrophobicContact CB-CE2 4.39Å; A47-F70 HydrophobicContact CB-CZ 3.66Å; I50-F70 HydrophobicContact CD1-CE1 4.04Å; I68-F70 HydrophobicContact CB-CE2 4.42Å; I68-F70 HydrophobicContact CG2-CD2 4.16Å; I68-F70 HydrophobicContact CG2-CE1 4.37Å; I68-F70 HydrophobicContact CG2-CE2 3.57Å; I68-F70 HydrophobicContact CG2-CZ 3.71Å |
| 71 | E | 97.1 | Very high | 94.5 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.5 | 179.2 | -66.2 | -68.8 | -178.5 | 0 | 0 | 110.3 | L30 V31 F32 L33 T82 R86 | L30-E71 HydrophobicContact CD1-CG 3.51Å; L30-E71 HydrophobicContact CG-CG 4.3Å; V31-E71 PolarHBondContact O-N 2.72Å; F32-E71 HydrophobicContact CD1-CB 3.61Å; F32-E71 HydrophobicContact CE1-CB 3.58Å; F32-E71 HydrophobicContact CE1-CG 4.1Å; L33-E71 PolarHBondContact N-O 2.73Å; E71-T82 HydrophobicContact CB-CG2 4.31Å; E71-T82 HydrophobicContact CG-CG2 3.84Å; E71-R86 IonicContact OE1-CZ 2.93Å; E71-R86 IonicContact OE1-NH2 3.91Å; E71-R86 PolarHBondContact OE1-NH2 2.99Å |
| 72 | N | 95.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 132.9 | 178.9 | -170.4 | 1.4 | 0 | 0 | 0 | 111.1 | Q35 D74 H78 | Q35-N72 HydrophobicContact CG-CB 3.98Å; Q35-N72 PolarHBondContact N-OD1 2.66Å; N72-D74 PolarHBondContact ND2-OD2 2.77Å; N72-D74 WeakPolarHBondContact OD1-CB 3.42Å; N72-D74 PolarHBondContact OD1-N 2.69Å; N72-D74 PolarHBondContact OD1-OD2 2.77Å; N72-H78 PolarHBondContact O-ND1 2.69Å |
| 73 | S | 94.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | trans | -121.6 | 24.7 | 172.1 | 73.7 | 0 | 0 | 0 | 0 | 114.1 | L33 P34 R100 | L33-S73 WeakPolarHBondContact CA-OG 3.31Å; L33-S73 PolarHBondContact N-OG 2.62Å; L33-S73 PolarHBondContact O-N 2.82Å; L33-S73 VanDerWaalsContact O-N 3.07Å; P34-S73 WeakPolarHBondContact CD-OG 3.34Å; P34-S73 VanDerWaalsContact N-OG 3.16Å; S73-R100 PolarHBondContact O-NE 3.01Å; S73-R100 PolarHBondContact O-NH2 2.83Å | ||
| 74 | D | 90.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | trans | -65.3 | -45.1 | 177.3 | -69.7 | -33.9 | 0 | 0 | 0 | 112.1 | P34 Q35 N36 N72 R100 | P34-D74 WeakPolarHBondContact CA-OD1 3.28Å; P34-D74 WeakPolarHBondContact CB-OD1 3.43Å; Q35-D74 WeakPolarHBondContact CB-OD2 3.12Å; Q35-D74 PolarHBondContact N-OD1 2.85Å; Q35-D74 PolarHBondContact N-OD2 2.71Å; N36-D74 WeakPolarHBondContact CB-OD1 3.5Å; N36-D74 PolarHBondContact N-OD1 2.62Å; N72-D74 PolarHBondContact ND2-OD2 2.77Å; N72-D74 WeakPolarHBondContact OD1-CB 3.42Å; N72-D74 PolarHBondContact OD1-N 2.69Å; N72-D74 PolarHBondContact OD1-OD2 2.77Å; D74-R100 VanDerWaalsContact C-NH2 3.26Å; D74-R100 PolarHBondContact O-NH1 3.43Å; D74-R100 PolarHBondContact O-NH2 3.22Å | ||
| 75 | L | 89.1 | Confident | 94.7 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 61% | 0.607 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -85.2 | 140.6 | -173.9 | -63.8 | 177.8 | 0 | 0 | 0 | 111 | N77 H78 | L75-N77 PolarHBondContact O-N 2.74Å; L75-H78 HydrophobicContact CB-CB 3.92Å; L75-H78 VanDerWaalsContact O-CB 3.25Å; L75-H78 WeakPolarHBondContact O-CB 3.33Å; L75-H78 PolarHBondContact O-N 3.39Å; L75-H78 VanDerWaalsContact O-N 3.14Å |
| 76 | A | 86.8 | Confident | 94.5 | Very high | 73 Ų | 73 | 51.6 Ų | 51.6 | 60% | 0.603 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 135.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H78 E103 | A76-H78 PolarHBondContact O-N 3.22Å; A76-H78 VanDerWaalsContact O-N 3.16Å; A76-E103 VanDerWaalsContact CA-OE1 3.27Å; A76-E103 WeakPolarHBondContact CA-OE1 3.3Å |
| 77 | N | 90.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 53.9 Ų | 53.9 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 1.3 | -174 | -52.3 | -70.9 | 0 | 0 | 0 | 116 | L75 A79 L80 F81 E103 | L75-N77 PolarHBondContact O-N 2.74Å; N77-A79 VanDerWaalsContact C-N 3.35Å; N77-A79 PolarHBondContact O-N 3.04Å; N77-L80 WeakPolarHBondContact O-CB 3.31Å; N77-L80 PolarHBondContact O-N 3.03Å; N77-F81 HydrophobicContact CB-CD2 4.27Å; N77-F81 HydrophobicContact CB-CE1 4.03Å; N77-F81 HydrophobicContact CB-CE2 3.66Å; N77-F81 HydrophobicContact CB-CZ 3.52Å; N77-F81 WeakPolarHBondContact O-CD2 3.35Å; N77-F81 VanDerWaalsContact O-CG 3.28Å; N77-F81 WeakPolarHBondContact O-CG 3.36Å; N77-F81 PolarHBondContact O-N 2.88Å; N77-E103 WeakPolarHBondContact CA-OE1 3.24Å; N77-E103 VanDerWaalsContact N-CD 3.35Å; N77-E103 PolarHBondContact N-OE1 3.25Å; N77-E103 PolarHBondContact N-OE2 2.85Å |
| 78 | H | 93.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 56.9 Ų | 56.9 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | -174.9 | -173.3 | -96.7 | 0 | 0 | 0 | 111.6 | N72 L75 A76 L80 F81 T82 E103 | N72-H78 PolarHBondContact O-ND1 2.69Å; L75-H78 HydrophobicContact CB-CB 3.92Å; L75-H78 VanDerWaalsContact O-CB 3.25Å; L75-H78 WeakPolarHBondContact O-CB 3.33Å; L75-H78 PolarHBondContact O-N 3.39Å; L75-H78 VanDerWaalsContact O-N 3.14Å; A76-H78 PolarHBondContact O-N 3.22Å; A76-H78 VanDerWaalsContact O-N 3.16Å; H78-L80 VanDerWaalsContact C-N 3.29Å; H78-L80 PolarHBondContact O-N 3.42Å; H78-F81 PolarHBondContact O-N 3.13Å; H78-T82 WeakPolarHBondContact O-CB 3.47Å; H78-T82 PolarHBondContact O-N 3Å; H78-T82 PolarHBondContact O-OG1 2.98Å; H78-T82 VanDerWaalsContact O-OG1 3.1Å; H78-E103 PolarHBondContact N-OE2 3.46Å |
| 79 | A | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F32 N77 L83 P98 E103 V107 | F32-A79 HydrophobicContact CB-CB 4.26Å; F32-A79 HydrophobicContact CD1-CB 3.51Å; F32-A79 HydrophobicContact CD2-CB 4.34Å; F32-A79 HydrophobicContact CE1-CB 3.84Å; F32-A79 HydrophobicContact CG-CB 3.79Å; F32-A79 HydrophobicContact CZ-CB 4.36Å; F32-A79 VanDerWaalsContact CZ-O 3.29Å; F32-A79 WeakPolarHBondContact CZ-O 3.14Å; N77-A79 VanDerWaalsContact C-N 3.35Å; N77-A79 PolarHBondContact O-N 3.04Å; A79-L83 WeakPolarHBondContact O-CB 3.49Å; A79-L83 PolarHBondContact O-N 2.93Å; A79-P98 HydrophobicContact CB-CG 3.88Å; A79-E103 PolarHBondContact N-OE2 3.37Å; A79-V107 HydrophobicContact CB-CG2 3.67Å |
| 80 | L | 96.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 175.2 | 173 | 60.5 | 0 | 0 | 0 | 111.7 | N77 H78 L83 A84 V107 L110 | N77-L80 WeakPolarHBondContact O-CB 3.31Å; N77-L80 PolarHBondContact O-N 3.03Å; H78-L80 VanDerWaalsContact C-N 3.29Å; H78-L80 PolarHBondContact O-N 3.42Å; L80-L83 PolarHBondContact O-N 3.2Å; L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.95Å; L80-V107 HydrophobicContact CB-CG2 4.41Å; L80-L110 HydrophobicContact CD1-CB 4.12Å; L80-L110 HydrophobicContact CD1-CD2 3.85Å |
| 81 | F | 95.3 | Very high | 91.5 | Very high | 115 Ų | 115 | 65.1 Ų | 65.1 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 180 | -59.8 | -26.9 | 0 | 0 | 0 | 111.7 | N77 H78 L83 A84 D85 | N77-F81 HydrophobicContact CB-CD2 4.27Å; N77-F81 HydrophobicContact CB-CE1 4.03Å; N77-F81 HydrophobicContact CB-CE2 3.66Å; N77-F81 HydrophobicContact CB-CZ 3.52Å; N77-F81 WeakPolarHBondContact O-CD2 3.35Å; N77-F81 VanDerWaalsContact O-CG 3.28Å; N77-F81 WeakPolarHBondContact O-CG 3.36Å; N77-F81 PolarHBondContact O-N 2.88Å; H78-F81 PolarHBondContact O-N 3.13Å; F81-L83 VanDerWaalsContact C-N 3.29Å; F81-L83 PolarHBondContact O-N 2.93Å; F81-A84 WeakPolarHBondContact O-CB 3.49Å; F81-A84 PolarHBondContact O-N 2.76Å; F81-A84 VanDerWaalsContact O-N 3.07Å; F81-D85 PolarHBondContact O-N 2.8Å |
| 82 | T | 94.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 175 | -62.2 | 0 | 0 | 0 | 0 | 112 | F32 E71 H78 R86 | F32-T82 HydrophobicContact CE1-CG2 4.02Å; F32-T82 HydrophobicContact CZ-CG2 4.39Å; E71-T82 HydrophobicContact CB-CG2 4.31Å; E71-T82 HydrophobicContact CG-CG2 3.84Å; H78-T82 WeakPolarHBondContact O-CB 3.47Å; H78-T82 PolarHBondContact O-N 3Å; H78-T82 PolarHBondContact O-OG1 2.98Å; H78-T82 VanDerWaalsContact O-OG1 3.1Å; T82-R86 WeakPolarHBondContact O-CG 3.16Å |
| 83 | L | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 174 | -178.8 | 61.7 | 0 | 0 | 0 | 111.6 | L30 F32 A79 L80 F81 D85 R86 P92 I95 V107 L110 W114 | L30-L83 HydrophobicContact CD2-CD1 4.2Å; F32-L83 HydrophobicContact CE2-CB 4.46Å; F32-L83 HydrophobicContact CZ-CB 4.14Å; A79-L83 WeakPolarHBondContact O-CB 3.49Å; A79-L83 PolarHBondContact O-N 2.93Å; L80-L83 PolarHBondContact O-N 3.2Å; F81-L83 VanDerWaalsContact C-N 3.29Å; F81-L83 PolarHBondContact O-N 2.93Å; L83-D85 PolarHBondContact O-N 3.48Å; L83-R86 WeakPolarHBondContact O-CB 3.38Å; L83-R86 PolarHBondContact O-N 3.02Å; L83-R86 VanDerWaalsContact O-N 3.17Å; L83-P92 HydrophobicContact CD1-CG 4.32Å; L83-I95 HydrophobicContact CD1-CD1 3.9Å; L83-I95 HydrophobicContact CD2-CD1 3.85Å; L83-V107 HydrophobicContact CD2-CG1 3.92Å; L83-L110 HydrophobicContact CB-CD2 4.33Å; L83-L110 HydrophobicContact CD2-CB 4.15Å; L83-L110 HydrophobicContact CD2-CD2 3.93Å; L83-L110 HydrophobicContact CD2-CG 4.08Å; L83-L110 HydrophobicContact CG-CD2 3.87Å; L83-L110 HydrophobicContact CG-CG 4.42Å; L83-W114 HydrophobicContact CD1-CE3 4.3Å; L83-W114 HydrophobicContact CD1-CZ3 3.75Å; L83-W114 HydrophobicContact CG-CE3 4.43Å; L83-W114 HydrophobicContact CG-CH2 4.47Å; L83-W114 HydrophobicContact CG-CZ3 3.77Å; L83-W114 VanDerWaalsContact O-CH2 3.31Å; L83-W114 WeakPolarHBondContact O-CH2 3.41Å; L83-W114 WeakPolarHBondContact O-CZ3 3.44Å |
| 84 | A | 95.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L80 F81 R86 S87 L110 | L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.95Å; F81-A84 WeakPolarHBondContact O-CB 3.49Å; F81-A84 PolarHBondContact O-N 2.76Å; F81-A84 VanDerWaalsContact O-N 3.07Å; A84-R86 PolarHBondContact O-N 2.75Å; A84-S87 WeakPolarHBondContact O-CB 2.97Å; A84-S87 PolarHBondContact O-N 3.1Å; A84-S87 PolarHBondContact O-OG 3.02Å; A84-L110 HydrophobicContact CB-CD2 4.09Å |
| 85 | D | 93.6 | Very high | 92.2 | Very high | 121 Ų | 121 | 59.4 Ų | 59.4 | 65% | 0.647 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.3 | -22.8 | 177.2 | -73.2 | -18.6 | 0 | 0 | 0 | 112.6 | F81 L83 S87 | F81-D85 PolarHBondContact O-N 2.8Å; L83-D85 PolarHBondContact O-N 3.48Å; D85-S87 PolarHBondContact O-N 3.42Å |
| 86 | R | 90.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -79.6 | -1.4 | 173.7 | -66.1 | 174.3 | 176.3 | -112.2 | 4.2 | 113.5 | E71 T82 L83 A84 C88 N89 | E71-R86 IonicContact OE1-CZ 2.93Å; E71-R86 IonicContact OE1-NH2 3.91Å; E71-R86 PolarHBondContact OE1-NH2 2.99Å; T82-R86 WeakPolarHBondContact O-CG 3.16Å; L83-R86 WeakPolarHBondContact O-CB 3.38Å; L83-R86 PolarHBondContact O-N 3.02Å; L83-R86 VanDerWaalsContact O-N 3.17Å; A84-R86 PolarHBondContact O-N 2.75Å; R86-C88 VanDerWaalsContact C-N 3.26Å; R86-C88 PolarHBondContact O-N 3.38Å; R86-N89 CarbonylContact O-C 3.54Å; R86-N89 PolarHBondContact O-N 3.27Å |
| 87 | S | 85.8 | Confident | 93.2 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -55.8 | -36.3 | -179.7 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | A84 D85 | A84-S87 WeakPolarHBondContact O-CB 2.97Å; A84-S87 PolarHBondContact O-N 3.1Å; A84-S87 PolarHBondContact O-OG 3.02Å; D85-S87 PolarHBondContact O-N 3.42Å |
| 88 | C | 80.6 | Confident | 93.6 | Very high | 120 Ų | 120 | 46.5 Ų | 46.5 | 81% | 0.811 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -94.1 | -6.1 | 178.7 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | R86 | R86-C88 VanDerWaalsContact C-N 3.26Å; R86-C88 PolarHBondContact O-N 3.38Å |
| 89 | N | 81.9 | Confident | 93.8 | Very high | 119 Ų | 119 | 43.7 Ų | 43.7 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -108.6 | -166.7 | -178.2 | -69 | -37.4 | 0 | 0 | 0 | 110.5 | R86 K91 | R86-N89 CarbonylContact O-C 3.54Å; R86-N89 PolarHBondContact O-N 3.27Å; N89-K91 PolarHBondContact O-N 2.98Å |
| 90 | L | 84.3 | Confident | 93.8 | Very high | 123 Ų | 123 | 45 Ų | 45 | 64% | 0.644 | 24% | 0.243 | S | C | * | . | trans | -66.6 | 112.7 | 172.3 | -173.5 | 61.8 | 0 | 0 | 0 | 109.8 | E28 | E28-L90 HydrophobicContact CG-CD2 3.76Å; E28-L90 HydrophobicContact CG-CG 4.4Å | ||
| 91 | K | 93.8 | Very high | 93.8 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | trans | -70.2 | 143.6 | 171.8 | -66.3 | 179.8 | -178.5 | -179.8 | 0 | 109.5 | N89 W114 I116 | N89-K91 PolarHBondContact O-N 2.98Å; K91-W114 HydrophobicContact CD-CD2 4.31Å; K91-W114 HydrophobicContact CD-CE3 4.18Å; K91-W114 HydrophobicContact CG-CE3 4.5Å; K91-I116 HydrophobicContact CB-CD1 4.13Å | ||
| 92 | P | 97.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.045 | 23% | 0.233 | C | C | . | . | trans | -67.4 | 152.7 | 175.2 | 29.9 | -34.4 | 0 | 0 | 0 | 111 | L30 L83 I95 I116 | L30-P92 HydrophobicContact CB-CB 3.8Å; L30-P92 HydrophobicContact CB-CG 4.01Å; L30-P92 HydrophobicContact CD2-CG 4.2Å; L83-P92 HydrophobicContact CD1-CG 4.32Å; P92-I95 HydrophobicContact CG-CD1 4.24Å; P92-I95 HydrophobicContact CG-CG1 3.84Å; P92-I116 HydrophobicContact CG-CD1 4.27Å; P92-I116 HydrophobicContact CG-CG2 4.49Å | ||
| 93 | D | 98.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82.4 | -27.2 | 171.7 | -58.7 | -64 | 0 | 0 | 0 | 111.1 | I27 E28 P117 K346 | I27-D93 HydrophobicContact CG2-CB 4.06Å; E28-D93 PolarHBondContact N-OD2 3.4Å; E28-D93 PolarHBondContact O-N 3.04Å; D93-P117 WeakPolarHBondContact O-CD 3.48Å; D93-K346 HydrophobicContact CB-CB 4.46Å; D93-K346 HydrophobicContact CB-CD 4.42Å; D93-K346 WeakPolarHBondContact OD1-CD 3.23Å; D93-K346 WeakPolarHBondContact OD1-CE 3.38Å; D93-K346 WeakPolarHBondContact OD1-CG 3.37Å; D93-K346 IonicContact OD1-NZ 2.77Å; D93-K346 PolarHBondContact OD1-NZ 3.24Å; D93-K346 IonicContact OD2-NZ 2.68Å; D93-K346 PolarHBondContact OD2-NZ 3.02Å |
| 94 | L | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 140.3 | 178.3 | 172.3 | 64.2 | 0 | 0 | 0 | 110.6 | E28 V29 L30 L96 P117 I119 L329 Y332 | E28-L94 PolarHBondContact O-N 3.44Å; V29-L94 WeakPolarHBondContact CA-O 3.22Å; V29-L94 HydrophobicContact CG1-CB 4.41Å; V29-L94 HydrophobicContact CG1-CD2 4Å; V29-L94 HydrophobicContact CG1-CG 4.19Å; V29-L94 HydrophobicContact CG2-CB 4.34Å; V29-L94 HydrophobicContact CG2-CD2 4.19Å; L30-L94 PolarHBondContact N-O 3.03Å; L94-L96 HydrophobicContact CD1-CD2 4.18Å; L94-L96 HydrophobicContact CD2-CD2 3.88Å; L94-L96 HydrophobicContact CD2-CG 4.16Å; L94-L96 HydrophobicContact CG-CD2 4.08Å; L94-L96 HydrophobicContact CG-CG 4.31Å; L94-P117 HydrophobicContact CD1-CB 4.32Å; L94-I119 HydrophobicContact CD1-CD1 3.98Å; L94-I119 HydrophobicContact CD1-CG1 4.03Å; L94-L329 HydrophobicContact CD2-CD1 4.21Å; L94-Y332 HydrophobicContact CB-CD2 4.27Å; L94-Y332 HydrophobicContact CB-CE2 3.93Å; L94-Y332 HydrophobicContact CD1-CD2 3.67Å; L94-Y332 HydrophobicContact CD1-CE2 4.07Å; L94-Y332 HydrophobicContact CD1-CG 4.2Å; L94-Y332 HydrophobicContact CD2-CD1 3.84Å; L94-Y332 HydrophobicContact CD2-CD2 3.9Å; L94-Y332 HydrophobicContact CD2-CE1 4.31Å; L94-Y332 HydrophobicContact CD2-CE2 4.34Å; L94-Y332 HydrophobicContact CD2-CG 3.6Å; L94-Y332 HydrophobicContact CG-CD2 4.15Å; L94-Y332 HydrophobicContact CG-CE2 4.33Å; L94-Y332 HydrophobicContact CG-CG 4.36Å |
| 95 | I | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.7 | 166.8 | -59.9 | 168.1 | 0 | 0 | 0 | 109.4 | L30 F32 L83 P92 G97 V107 A111 I116 P117 V118 I119 | L30-I95 HydrophobicContact CB-CG1 4.44Å; L30-I95 CarbonylContact O-C 3.58Å; L30-I95 VanDerWaalsContact O-CA 3.29Å; L30-I95 WeakPolarHBondContact O-CA 3.33Å; F32-I95 HydrophobicContact CD2-CG2 3.89Å; F32-I95 HydrophobicContact CE2-CG2 4.09Å; L83-I95 HydrophobicContact CD1-CD1 3.9Å; L83-I95 HydrophobicContact CD2-CD1 3.85Å; P92-I95 HydrophobicContact CG-CD1 4.24Å; P92-I95 HydrophobicContact CG-CG1 3.84Å; I95-G97 WeakPolarHBondContact CG2-O 3.03Å; I95-V107 HydrophobicContact CD1-CG1 4.45Å; I95-V107 HydrophobicContact CG2-CG1 4.22Å; I95-A111 HydrophobicContact CD1-CB 3.84Å; I95-I116 HydrophobicContact CD1-CG2 3.91Å; I95-I116 HydrophobicContact CG1-CG2 3.93Å; I95-P117 PolarHBondContact N-O 2.82Å; I95-V118 HydrophobicContact CB-CG1 4.37Å; I95-V118 HydrophobicContact CB-CG2 4.2Å; I95-V118 HydrophobicContact CD1-CG2 4.39Å; I95-V118 HydrophobicContact CG2-CG1 4.26Å; I95-V118 WeakPolarHBondContact O-CA 3.37Å; I95-I119 PolarHBondContact O-N 3.44Å |
| 96 | L | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.3 | 168.8 | -61.3 | -177.1 | 0 | 0 | 0 | 109.8 | V29 L30 V31 F32 I50 L94 I119 F325 A328 | V29-L96 HydrophobicContact CG1-CD1 3.97Å; V29-L96 HydrophobicContact CG1-CG 3.94Å; L30-L96 PolarHBondContact O-N 3.27Å; V31-L96 WeakPolarHBondContact CA-O 3.3Å; V31-L96 HydrophobicContact CB-CB 4.45Å; V31-L96 HydrophobicContact CG1-CB 4.14Å; V31-L96 HydrophobicContact CG2-CB 4.11Å; V31-L96 HydrophobicContact CG2-CD1 4.19Å; V31-L96 HydrophobicContact CG2-CG 4.48Å; F32-L96 PolarHBondContact N-O 3.31Å; I50-L96 HydrophobicContact CD1-CD1 4.08Å; I50-L96 HydrophobicContact CG2-CD1 4.41Å; L94-L96 HydrophobicContact CD1-CD2 4.18Å; L94-L96 HydrophobicContact CD2-CD2 3.88Å; L94-L96 HydrophobicContact CD2-CG 4.16Å; L94-L96 HydrophobicContact CG-CD2 4.08Å; L94-L96 HydrophobicContact CG-CG 4.31Å; L96-I119 WeakPolarHBondContact CA-O 3.29Å; L96-I119 HydrophobicContact CD2-CB 3.94Å; L96-I119 HydrophobicContact CD2-CD1 4.5Å; L96-F325 HydrophobicContact CB-CD1 4.15Å; L96-F325 HydrophobicContact CB-CE1 3.99Å; L96-A328 HydrophobicContact CD2-CB 3.87Å |
| 97 | G | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | 77.8 | -163.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I95 V118 I119 | I95-G97 WeakPolarHBondContact CG2-O 3.03Å; G97-V118 VanDerWaalsContact O-CG1 3.3Å; G97-V118 WeakPolarHBondContact O-CG1 3.33Å; G97-I119 PolarHBondContact N-O 2.95Å | ||
| 98 | P | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | cis | -63.5 | 166.6 | -6.7 | -18 | 29.9 | 0 | 0 | 0 | 112.9 | F32 A79 E103 A104 V107 S120 | F32-P98 HydrophobicContact CB-CB 4.19Å; F32-P98 HydrophobicContact CB-CG 3.81Å; F32-P98 HydrophobicContact CD2-CG 4.28Å; F32-P98 HydrophobicContact CG-CG 4.23Å; A79-P98 HydrophobicContact CB-CG 3.88Å; P98-E103 HydrophobicContact CB-CB 3.85Å; P98-E103 HydrophobicContact CG-CB 4.13Å; P98-A104 HydrophobicContact CB-CB 4.4Å; P98-V107 HydrophobicContact CG-CB 3.96Å; P98-V107 HydrophobicContact CG-CG1 4.32Å; P98-V107 HydrophobicContact CG-CG2 3.66Å; P98-S120 PolarHBondContact O-OG 3.07Å | ||
| 99 | V | 97.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | trans | -89.6 | -47.1 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | L33 F41 G122 A123 F321 F325 | L33-V99 HydrophobicContact CD2-CG2 4.34Å; F41-V99 HydrophobicContact CB-CG1 4.42Å; F41-V99 HydrophobicContact CB-CG2 4.02Å; F41-V99 HydrophobicContact CD1-CB 4.35Å; F41-V99 HydrophobicContact CD1-CG1 3.65Å; F41-V99 HydrophobicContact CD2-CB 3.6Å; F41-V99 HydrophobicContact CD2-CG1 3.84Å; F41-V99 HydrophobicContact CD2-CG2 3.77Å; F41-V99 HydrophobicContact CE1-CB 4.46Å; F41-V99 HydrophobicContact CE1-CG1 3.73Å; F41-V99 HydrophobicContact CE2-CB 3.75Å; F41-V99 HydrophobicContact CE2-CG1 3.92Å; F41-V99 HydrophobicContact CE2-CG2 4.42Å; F41-V99 HydrophobicContact CG-CB 3.92Å; F41-V99 HydrophobicContact CG-CG1 3.7Å; F41-V99 HydrophobicContact CG-CG2 3.9Å; F41-V99 HydrophobicContact CZ-CB 4.18Å; F41-V99 HydrophobicContact CZ-CG1 3.86Å; V99-G122 WeakPolarHBondContact O-CA 3.23Å; V99-A123 PolarHBondContact O-N 3.34Å; V99-F321 HydrophobicContact CG1-CD1 3.85Å; V99-F321 HydrophobicContact CG1-CE1 3.5Å; V99-F321 HydrophobicContact CG1-CZ 4.21Å; V99-F325 HydrophobicContact CG2-CE2 3.58Å; V99-F325 HydrophobicContact CG2-CZ 3.68Å | ||
| 100 | R | 96.4 | Very high | 96.7 | Very high | 27 Ų | 27 | 26.9 Ų | 26.9 | 10% | 0.102 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -66.2 | 137.6 | -174.1 | -55.2 | -178.7 | -49.3 | 149.9 | -6.5 | 111.2 | F41 S73 D74 Y102 E103 A104 E174 | F41-R100 HydrophobicContact CE2-CG 3.76Å; F41-R100 HydrophobicContact CZ-CG 3.77Å; S73-R100 PolarHBondContact O-NE 3.01Å; S73-R100 PolarHBondContact O-NH2 2.83Å; D74-R100 VanDerWaalsContact C-NH2 3.26Å; D74-R100 PolarHBondContact O-NH1 3.43Å; D74-R100 PolarHBondContact O-NH2 3.22Å; R100-Y102 PolarHBondContact O-N 2.91Å; R100-E103 HydrophobicContact CB-CB 4.47Å; R100-E103 HydrophobicContact CB-CG 4.5Å; R100-E103 PolarHBondContact O-N 3.19Å; R100-A104 VanDerWaalsContact O-CB 3.29Å; R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.41Å; R100-E174 WeakPolarHBondContact CD-OE1 3.33Å; R100-E174 WeakPolarHBondContact CD-OE2 3.37Å; R100-E174 IonicContact CZ-OE1 2.76Å; R100-E174 IonicContact NH1-OE1 3.44Å; R100-E174 PolarHBondContact NH1-OE1 2.99Å; R100-E174 IonicContact NH1-OE2 3.39Å |
| 101 | E | 96 | Very high | 97.3 | Very high | 10 Ų | 10 | 21 Ų | 21 | 5% | 0.047 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | -168.2 | -54.3 | -61.3 | 166.7 | 0 | 0 | 112.6 | A104 A105 A123 L124 A125 F128 F179 | E101-A104 PolarHBondContact O-N 2.96Å; E101-A105 WeakPolarHBondContact O-CB 3.41Å; E101-A105 PolarHBondContact O-N 3.4Å; E101-A123 WeakPolarHBondContact OE2-CA 3.31Å; E101-L124 VanDerWaalsContact CD-N 3.35Å; E101-L124 WeakPolarHBondContact OE1-CA 3.37Å; E101-L124 PolarHBondContact OE1-N 3.25Å; E101-L124 PolarHBondContact OE2-N 3.45Å; E101-A125 VanDerWaalsContact CD-N 3.35Å; E101-A125 HydrophobicContact CG-CB 4.09Å; E101-A125 PolarHBondContact OE1-N 3.1Å; E101-A125 VanDerWaalsContact OE1-N 3.16Å; E101-A125 VanDerWaalsContact OE2-CB 3.3Å; E101-A125 WeakPolarHBondContact OE2-CB 3.48Å; E101-A125 PolarHBondContact OE2-N 2.97Å; E101-A125 VanDerWaalsContact OE2-N 3.09Å; E101-F128 HydrophobicContact CB-CE2 4.4Å; E101-F128 WeakPolarHBondContact O-CZ 3.31Å; E101-F128 WeakPolarHBondContact OE2-CD2 3.21Å; E101-F128 WeakPolarHBondContact OE2-CE2 3.42Å; E101-F179 HydrophobicContact CB-CD2 4.29Å; E101-F179 HydrophobicContact CB-CE2 3.89Å; E101-F179 HydrophobicContact CB-CZ 4.28Å; E101-F179 HydrophobicContact CG-CD2 3.65Å; E101-F179 HydrophobicContact CG-CE2 3.77Å; E101-F179 HydrophobicContact CG-CG 4.25Å; E101-F179 HydrophobicContact CG-CZ 4.47Å |
| 102 | Y | 95.2 | Very high | 97.5 | Very high | 119 Ų | 119 | 17.6 Ų | 17.6 | 47% | 0.467 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -67.1 | -39.5 | -178.8 | -61.3 | -67.3 | 0 | 0 | 0 | 113 | R100 K173 R175 F179 | R100-Y102 PolarHBondContact O-N 2.91Å; Y102-K173 VanDerWaalsContact CE2-O 3.32Å; Y102-K173 WeakPolarHBondContact CE2-O 3.42Å; Y102-R175 WeakPolarHBondContact OH-CD 3.26Å; Y102-F179 HydrophobicContact CE1-CZ 4.41Å; Y102-F179 HydrophobicContact CE2-CE2 4.27Å; Y102-F179 HydrophobicContact CE2-CZ 4.42Å; Y102-F179 AromaticContact CZ-CZ 3.96Å |
| 103 | E | 95.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.2 | -47.6 | 176.1 | -72.7 | -54.6 | 101.5 | 0 | 0 | 111.4 | A76 N77 H78 A79 P98 R100 A105 G106 V107 | A76-E103 VanDerWaalsContact CA-OE1 3.27Å; A76-E103 WeakPolarHBondContact CA-OE1 3.3Å; N77-E103 WeakPolarHBondContact CA-OE1 3.24Å; N77-E103 VanDerWaalsContact N-CD 3.35Å; N77-E103 PolarHBondContact N-OE1 3.25Å; N77-E103 PolarHBondContact N-OE2 2.85Å; H78-E103 PolarHBondContact N-OE2 3.46Å; A79-E103 PolarHBondContact N-OE2 3.37Å; P98-E103 HydrophobicContact CB-CB 3.85Å; P98-E103 HydrophobicContact CG-CB 4.13Å; R100-E103 HydrophobicContact CB-CB 4.47Å; R100-E103 HydrophobicContact CB-CG 4.5Å; R100-E103 PolarHBondContact O-N 3.19Å; E103-A105 VanDerWaalsContact C-N 3.25Å; E103-A105 PolarHBondContact O-N 2.9Å; E103-G106 PolarHBondContact O-N 3.01Å; E103-V107 PolarHBondContact O-N 3.22Å |
| 104 | A | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P98 R100 E101 G106 V107 V108 A123 F128 | P98-A104 HydrophobicContact CB-CB 4.4Å; R100-A104 VanDerWaalsContact O-CB 3.29Å; R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.41Å; E101-A104 PolarHBondContact O-N 2.96Å; A104-G106 VanDerWaalsContact C-N 3.3Å; A104-G106 PolarHBondContact O-N 3.19Å; A104-V107 PolarHBondContact O-N 3.17Å; A104-V108 VanDerWaalsContact O-CB 3.28Å; A104-V108 WeakPolarHBondContact O-CB 3.32Å; A104-V108 WeakPolarHBondContact O-CG2 3.27Å; A104-V108 PolarHBondContact O-N 2.97Å; A104-A123 HydrophobicContact CB-CB 3.9Å; A104-F128 HydrophobicContact CB-CE1 4.28Å; A104-F128 HydrophobicContact CB-CZ 3.89Å |
| 105 | A | 97.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.7 | -40.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E101 E103 R109 F128 | E101-A105 WeakPolarHBondContact O-CB 3.41Å; E101-A105 PolarHBondContact O-N 3.4Å; E103-A105 VanDerWaalsContact C-N 3.25Å; E103-A105 PolarHBondContact O-N 2.9Å; A105-R109 VanDerWaalsContact O-CD 3.32Å; A105-R109 WeakPolarHBondContact O-CD 3.22Å; A105-R109 WeakPolarHBondContact O-CG 3.43Å; A105-R109 PolarHBondContact O-N 2.96Å; A105-R109 PolarHBondContact O-NH1 2.81Å; A105-F128 HydrophobicContact CB-CE1 4.27Å; A105-F128 HydrophobicContact CB-CZ 3.86Å |
| 106 | G | 96.9 | Very high | 97.4 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.9 | -51.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E103 A104 V108 R109 L110 | E103-G106 PolarHBondContact O-N 3.01Å; A104-G106 VanDerWaalsContact C-N 3.3Å; A104-G106 PolarHBondContact O-N 3.19Å; G106-V108 PolarHBondContact O-N 3.09Å; G106-R109 PolarHBondContact O-N 2.81Å; G106-L110 PolarHBondContact O-N 3.34Å |
| 107 | V | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | -176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | F32 A79 L80 L83 I95 P98 E103 A104 R109 L110 A111 | F32-V107 HydrophobicContact CD2-CG1 4.31Å; F32-V107 HydrophobicContact CE2-CG1 4.18Å; A79-V107 HydrophobicContact CB-CG2 3.67Å; L80-V107 HydrophobicContact CB-CG2 4.41Å; L83-V107 HydrophobicContact CD2-CG1 3.92Å; I95-V107 HydrophobicContact CD1-CG1 4.45Å; I95-V107 HydrophobicContact CG2-CG1 4.22Å; P98-V107 HydrophobicContact CG-CB 3.96Å; P98-V107 HydrophobicContact CG-CG1 4.32Å; P98-V107 HydrophobicContact CG-CG2 3.66Å; E103-V107 PolarHBondContact O-N 3.22Å; A104-V107 PolarHBondContact O-N 3.17Å; V107-R109 VanDerWaalsContact C-N 3.34Å; V107-R109 PolarHBondContact O-N 2.87Å; V107-L110 PolarHBondContact O-N 3.42Å; V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 3.35Å |
| 108 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -37.3 | -177.1 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | A104 G106 A111 S112 V118 Y135 L138 | A104-V108 VanDerWaalsContact O-CB 3.28Å; A104-V108 WeakPolarHBondContact O-CB 3.32Å; A104-V108 WeakPolarHBondContact O-CG2 3.27Å; A104-V108 PolarHBondContact O-N 2.97Å; G106-V108 PolarHBondContact O-N 3.09Å; V108-A111 PolarHBondContact O-N 3.42Å; V108-S112 VanDerWaalsContact O-CB 3.23Å; V108-S112 WeakPolarHBondContact O-CB 3.38Å; V108-S112 PolarHBondContact O-N 3.29Å; V108-S112 PolarHBondContact O-OG 2.9Å; V108-V118 HydrophobicContact CG2-CB 4.46Å; V108-V118 HydrophobicContact CG2-CG1 4.05Å; V108-Y135 HydrophobicContact CB-CD1 4.01Å; V108-Y135 HydrophobicContact CB-CE1 4.49Å; V108-Y135 HydrophobicContact CG1-CD1 3.57Å; V108-Y135 HydrophobicContact CG1-CG 4.3Å; V108-L138 HydrophobicContact CG1-CB 3.7Å; V108-L138 HydrophobicContact CG1-CD2 4.35Å; V108-L138 HydrophobicContact CG1-CG 4.44Å; V108-L138 HydrophobicContact CG2-CD1 4.05Å; V108-L138 HydrophobicContact CG2-CD2 4.43Å |
| 109 | R | 98.3 | Very high | 97.5 | Very high | 106 Ų | 106 | 32.2 Ų | 32.2 | 40% | 0.4 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.5 | -75.3 | 177.3 | 179.7 | 121.5 | 2.5 | 111.6 | A105 G106 V107 S112 H113 E134 Y135 | A105-R109 VanDerWaalsContact O-CD 3.32Å; A105-R109 WeakPolarHBondContact O-CD 3.22Å; A105-R109 WeakPolarHBondContact O-CG 3.43Å; A105-R109 PolarHBondContact O-N 2.96Å; A105-R109 PolarHBondContact O-NH1 2.81Å; G106-R109 PolarHBondContact O-N 2.81Å; V107-R109 VanDerWaalsContact C-N 3.34Å; V107-R109 PolarHBondContact O-N 2.87Å; R109-S112 PolarHBondContact O-N 3Å; R109-H113 PolarHBondContact O-N 3.24Å; R109-E134 WeakPolarHBondContact CA-O 3.46Å; R109-E134 HydrophobicContact CG-CB 4.05Å; R109-E134 HydrophobicContact CG-CG 4.39Å; R109-E134 IonicContact CZ-OE1 2.77Å; R109-E134 IonicContact CZ-OE2 3.14Å; R109-E134 IonicContact NE-OE1 3.8Å; R109-E134 PolarHBondContact NE-OE1 3.39Å; R109-E134 IonicContact NE-OE2 3.71Å; R109-E134 PolarHBondContact NE-OE2 2.81Å; R109-E134 IonicContact NH2-OE1 2.71Å; R109-E134 PolarHBondContact NH2-OE1 2.79Å; R109-E134 IonicContact NH2-OE2 3.73Å; R109-E134 PolarHBondContact NH2-OE2 3.3Å; R109-Y135 HydrophobicContact CG-CD1 4.47Å; R109-Y135 HydrophobicContact CG-CE1 4.01Å; R109-Y135 PolarHBondContact NH2-OH 2.86Å |
| 110 | L | 97.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 32 Ų | 32 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.6 | -43.4 | 178.9 | -176.3 | 56.7 | 0 | 0 | 0 | 111.7 | L80 L83 A84 G106 V107 S112 H113 W114 | L80-L110 HydrophobicContact CD1-CB 4.12Å; L80-L110 HydrophobicContact CD1-CD2 3.85Å; L83-L110 HydrophobicContact CB-CD2 4.33Å; L83-L110 HydrophobicContact CD2-CB 4.15Å; L83-L110 HydrophobicContact CD2-CD2 3.93Å; L83-L110 HydrophobicContact CD2-CG 4.08Å; L83-L110 HydrophobicContact CG-CD2 3.87Å; L83-L110 HydrophobicContact CG-CG 4.42Å; A84-L110 HydrophobicContact CB-CD2 4.09Å; G106-L110 PolarHBondContact O-N 3.34Å; V107-L110 PolarHBondContact O-N 3.42Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.86Å; L110-H113 WeakPolarHBondContact O-CB 3.43Å; L110-H113 PolarHBondContact O-N 3.24Å; L110-W114 HydrophobicContact CD1-CD2 4.1Å; L110-W114 HydrophobicContact CD1-CH2 4.23Å; L110-W114 HydrophobicContact CD1-CZ2 3.64Å; L110-W114 HydrophobicContact CD2-CH2 3.84Å; L110-W114 HydrophobicContact CD2-CZ2 4.07Å; L110-W114 HydrophobicContact CD2-CZ3 4.18Å; L110-W114 HydrophobicContact CG-CD2 4.18Å; L110-W114 HydrophobicContact CG-CE3 4.23Å; L110-W114 HydrophobicContact CG-CH2 4.08Å; L110-W114 HydrophobicContact CG-CZ2 4Å; L110-W114 HydrophobicContact CG-CZ3 4.2Å; L110-W114 PolarHBondContact O-N 2.91Å |
| 111 | A | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I95 V107 V108 H113 W114 K115 I116 V118 | I95-A111 HydrophobicContact CD1-CB 3.84Å; V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 3.35Å; V108-A111 PolarHBondContact O-N 3.42Å; A111-H113 VanDerWaalsContact C-N 3.33Å; A111-H113 PolarHBondContact O-N 3.17Å; A111-W114 CarbonylContact O-C 3.55Å; A111-W114 PolarHBondContact O-N 3.09Å; A111-W114 VanDerWaalsContact O-N 3.1Å; A111-K115 PolarHBondContact O-N 3.47Å; A111-I116 HydrophobicContact CB-CB 4.3Å; A111-I116 PolarHBondContact O-N 2.91Å; A111-V118 HydrophobicContact CB-CG2 3.3Å |
| 112 | S | 98.1 | Very high | 97.7 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 175.7 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | V108 R109 L110 W114 K115 E134 S136 H137 | V108-S112 VanDerWaalsContact O-CB 3.23Å; V108-S112 WeakPolarHBondContact O-CB 3.38Å; V108-S112 PolarHBondContact O-N 3.29Å; V108-S112 PolarHBondContact O-OG 2.9Å; R109-S112 PolarHBondContact O-N 3Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.86Å; S112-W114 VanDerWaalsContact C-N 3.31Å; S112-W114 PolarHBondContact O-N 3.14Å; S112-K115 PolarHBondContact O-N 3.15Å; S112-E134 PolarHBondContact OG-O 3.19Å; S112-S136 PolarHBondContact OG-N 3.36Å; S112-H137 PolarHBondContact OG-N 3.48Å |
| 113 | H | 96.6 | Very high | 97.8 | Very high | 145 Ų | 145 | 24.6 Ų | 24.6 | 67% | 0.671 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -62.1 | -38.1 | 173 | 176.7 | 65.2 | 0 | 0 | 0 | 112.4 | R109 L110 A111 K115 | R109-H113 PolarHBondContact O-N 3.24Å; L110-H113 WeakPolarHBondContact O-CB 3.43Å; L110-H113 PolarHBondContact O-N 3.24Å; A111-H113 VanDerWaalsContact C-N 3.33Å; A111-H113 PolarHBondContact O-N 3.17Å; H113-K115 VanDerWaalsContact C-N 3.32Å |
| 114 | W | 96.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 24.3 Ų | 24.3 | 18% | 0.178 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -84.9 | -2.1 | 177.3 | -68.2 | -10.2 | 0 | 0 | 0 | 114.7 | L83 K91 L110 A111 S112 I116 | L83-W114 HydrophobicContact CD1-CE3 4.3Å; L83-W114 HydrophobicContact CD1-CZ3 3.75Å; L83-W114 HydrophobicContact CG-CE3 4.43Å; L83-W114 HydrophobicContact CG-CH2 4.47Å; L83-W114 HydrophobicContact CG-CZ3 3.77Å; L83-W114 VanDerWaalsContact O-CH2 3.31Å; L83-W114 WeakPolarHBondContact O-CH2 3.41Å; L83-W114 WeakPolarHBondContact O-CZ3 3.44Å; K91-W114 HydrophobicContact CD-CD2 4.31Å; K91-W114 HydrophobicContact CD-CE3 4.18Å; K91-W114 HydrophobicContact CG-CE3 4.5Å; L110-W114 HydrophobicContact CD1-CD2 4.1Å; L110-W114 HydrophobicContact CD1-CH2 4.23Å; L110-W114 HydrophobicContact CD1-CZ2 3.64Å; L110-W114 HydrophobicContact CD2-CH2 3.84Å; L110-W114 HydrophobicContact CD2-CZ2 4.07Å; L110-W114 HydrophobicContact CD2-CZ3 4.18Å; L110-W114 HydrophobicContact CG-CD2 4.18Å; L110-W114 HydrophobicContact CG-CE3 4.23Å; L110-W114 HydrophobicContact CG-CH2 4.08Å; L110-W114 HydrophobicContact CG-CZ2 4Å; L110-W114 HydrophobicContact CG-CZ3 4.2Å; L110-W114 PolarHBondContact O-N 2.91Å; A111-W114 CarbonylContact O-C 3.55Å; A111-W114 PolarHBondContact O-N 3.09Å; A111-W114 VanDerWaalsContact O-N 3.1Å; S112-W114 VanDerWaalsContact C-N 3.31Å; S112-W114 PolarHBondContact O-N 3.14Å; W114-I116 VanDerWaalsContact C-N 3.31Å; W114-I116 HydrophobicContact CB-CD1 3.89Å; W114-I116 HydrophobicContact CB-CG1 3.93Å; W114-I116 HydrophobicContact CE3-CD1 3.83Å |
| 115 | K | 97.7 | Very high | 97.9 | Very high | 125 Ų | 125 | 24.4 Ų | 24.4 | 54% | 0.543 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 41.4 | -174.5 | -51.9 | 179.8 | 179.6 | -174.5 | 0 | 113.2 | A111 S112 H113 H137 G349 | A111-K115 PolarHBondContact O-N 3.47Å; S112-K115 PolarHBondContact O-N 3.15Å; H113-K115 VanDerWaalsContact C-N 3.32Å; K115-H137 WeakPolarHBondContact CA-NE2 3.34Å; K115-G349 VanDerWaalsContact O-CA 3.27Å; K115-G349 WeakPolarHBondContact O-CA 3.33Å |
| 116 | I | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 5% | 0.046 | 12% | 0.119 | C | C | . | . | trans | -99.6 | 126 | 176.2 | -59.9 | 175.1 | 0 | 0 | 0 | 108.2 | K91 P92 I95 A111 W114 V118 H137 | K91-I116 HydrophobicContact CB-CD1 4.13Å; P92-I116 HydrophobicContact CG-CD1 4.27Å; P92-I116 HydrophobicContact CG-CG2 4.49Å; I95-I116 HydrophobicContact CD1-CG2 3.91Å; I95-I116 HydrophobicContact CG1-CG2 3.93Å; A111-I116 HydrophobicContact CB-CB 4.3Å; A111-I116 PolarHBondContact O-N 2.91Å; W114-I116 VanDerWaalsContact C-N 3.31Å; W114-I116 HydrophobicContact CB-CD1 3.89Å; W114-I116 HydrophobicContact CB-CG1 3.93Å; W114-I116 HydrophobicContact CE3-CD1 3.83Å; I116-V118 PolarHBondContact O-N 3.43Å; I116-H137 VanDerWaalsContact O-CB 3.28Å; I116-H137 WeakPolarHBondContact O-CB 3.37Å | ||
| 117 | P | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | trans | -59.6 | 133.5 | 173.9 | -20.5 | 33.2 | 0 | 0 | 0 | 111.2 | D93 L94 I95 I352 M356 | D93-P117 WeakPolarHBondContact O-CD 3.48Å; L94-P117 HydrophobicContact CD1-CB 4.32Å; I95-P117 PolarHBondContact N-O 2.82Å; P117-I352 HydrophobicContact CG-CB 4.22Å; P117-I352 HydrophobicContact CG-CG2 4.33Å; P117-M356 HydrophobicContact CB-CE 3.96Å | ||
| 118 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129 | 171.1 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | I95 G97 V108 A111 I116 H137 L138 T139 | I95-V118 HydrophobicContact CB-CG1 4.37Å; I95-V118 HydrophobicContact CB-CG2 4.2Å; I95-V118 HydrophobicContact CD1-CG2 4.39Å; I95-V118 HydrophobicContact CG2-CG1 4.26Å; I95-V118 WeakPolarHBondContact O-CA 3.37Å; G97-V118 VanDerWaalsContact O-CG1 3.3Å; G97-V118 WeakPolarHBondContact O-CG1 3.33Å; V108-V118 HydrophobicContact CG2-CB 4.46Å; V108-V118 HydrophobicContact CG2-CG1 4.05Å; A111-V118 HydrophobicContact CB-CG2 3.3Å; I116-V118 PolarHBondContact O-N 3.43Å; V118-H137 PolarHBondContact N-O 3.31Å; V118-L138 HydrophobicContact CB-CD1 4.32Å; V118-L138 HydrophobicContact CG1-CD1 4.11Å; V118-L138 CarbonylContact O-C 3.59Å; V118-L138 WeakPolarHBondContact O-CA 3.25Å; V118-T139 PolarHBondContact O-N 3.35Å |
| 119 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.2 | 170 | -48.6 | 171.9 | 0 | 0 | 0 | 108.3 | L94 I95 L96 G97 T139 I141 A328 M356 | L94-I119 HydrophobicContact CD1-CD1 3.98Å; L94-I119 HydrophobicContact CD1-CG1 4.03Å; I95-I119 PolarHBondContact O-N 3.44Å; L96-I119 WeakPolarHBondContact CA-O 3.29Å; L96-I119 HydrophobicContact CD2-CB 3.94Å; L96-I119 HydrophobicContact CD2-CD1 4.5Å; G97-I119 PolarHBondContact N-O 2.95Å; I119-T139 WeakPolarHBondContact CA-O 3.4Å; I119-I141 HydrophobicContact CG2-CB 3.79Å; I119-I141 HydrophobicContact CG2-CG1 4.43Å; I119-I141 HydrophobicContact CG2-CG2 4.18Å; I119-A328 HydrophobicContact CB-CB 4.1Å; I119-A328 HydrophobicContact CD1-CB 4.46Å; I119-A328 VanDerWaalsContact CD1-O 3.3Å; I119-A328 WeakPolarHBondContact CD1-O 3.31Å; I119-A328 HydrophobicContact CG2-CB 3.51Å; I119-M356 HydrophobicContact CD1-CE 4.17Å; I119-M356 HydrophobicContact CD1-SD 3.35Å; I119-M356 WeakPolarHBondContact CD1-SD 3.28Å; I119-M356 HydrophobicContact CG1-CE 3.98Å; I119-M356 HydrophobicContact CG1-SD 3.77Å |
| 120 | S | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.4 | 179.2 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | P98 G122 T139 R140 I141 | P98-S120 PolarHBondContact O-OG 3.07Å; S120-G122 PolarHBondContact OG-N 3.32Å; S120-T139 PolarHBondContact N-O 2.79Å; S120-R140 WeakPolarHBondContact O-CA 3.47Å; S120-I141 PolarHBondContact O-N 2.69Å |
| 121 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -84.4 | 1.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I141 A142 F321 F325 | A121-I141 HydrophobicContact CB-CG2 3.77Å; A121-A142 HydrophobicContact CB-CB 4.24Å; A121-A142 VanDerWaalsContact O-CB 3.23Å; A121-A142 WeakPolarHBondContact O-CB 3.48Å; A121-F321 HydrophobicContact CB-CD1 4.06Å; A121-F321 VanDerWaalsContact O-CD1 3.29Å; A121-F321 WeakPolarHBondContact O-CD1 3.5Å; A121-F321 VanDerWaalsContact O-CE1 3.29Å; A121-F321 WeakPolarHBondContact O-CE1 3.19Å; A121-F325 HydrophobicContact CB-CD2 3.94Å; A121-F325 HydrophobicContact CB-CE2 3.85Å; A121-F325 HydrophobicContact CB-CG 4.42Å; A121-F325 HydrophobicContact CB-CZ 4.22Å |
| 122 | G | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | trans | -114.9 | -139.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | V99 S120 L124 | V99-G122 WeakPolarHBondContact O-CA 3.23Å; S120-G122 PolarHBondContact OG-N 3.32Å; G122-L124 VanDerWaalsContact O-CD2 3.28Å; G122-L124 WeakPolarHBondContact O-CD2 3.29Å; G122-L124 PolarHBondContact O-N 2.98Å | ||
| 123 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 53.5 | 42.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V99 E101 A104 F128 L138 R140 | V99-A123 PolarHBondContact O-N 3.34Å; E101-A123 WeakPolarHBondContact OE2-CA 3.31Å; A104-A123 HydrophobicContact CB-CB 3.9Å; A123-F128 HydrophobicContact CB-CD1 4.03Å; A123-F128 HydrophobicContact CB-CD2 3.88Å; A123-F128 HydrophobicContact CB-CE1 4.05Å; A123-F128 HydrophobicContact CB-CE2 3.95Å; A123-F128 HydrophobicContact CB-CG 3.93Å; A123-F128 HydrophobicContact CB-CZ 4.01Å; A123-F128 WeakPolarHBondContact O-CB 3.24Å; A123-F128 WeakPolarHBondContact O-CD2 3.38Å; A123-L138 HydrophobicContact CB-CD2 4.09Å; A123-R140 WeakPolarHBondContact O-CD 3.43Å; A123-R140 PolarHBondContact O-NH1 2.87Å; A123-R140 VanDerWaalsContact O-NH1 3.13Å | ||
| 124 | L | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | trans | -86 | -13.5 | -166.4 | -54.6 | 179.6 | 0 | 0 | 0 | 112.3 | E101 G122 R140 A142 S144 Y145 F253 M320 | E101-L124 VanDerWaalsContact CD-N 3.35Å; E101-L124 WeakPolarHBondContact OE1-CA 3.37Å; E101-L124 PolarHBondContact OE1-N 3.25Å; E101-L124 PolarHBondContact OE2-N 3.45Å; G122-L124 VanDerWaalsContact O-CD2 3.28Å; G122-L124 WeakPolarHBondContact O-CD2 3.29Å; G122-L124 PolarHBondContact O-N 2.98Å; L124-R140 PolarHBondContact O-NH1 2.85Å; L124-A142 HydrophobicContact CD2-CB 4.03Å; L124-S144 WeakPolarHBondContact O-CB 3.35Å; L124-Y145 VanDerWaalsContact C-CD2 3.46Å; L124-Y145 HydrophobicContact CB-CD1 4.25Å; L124-Y145 HydrophobicContact CB-CD2 3.67Å; L124-Y145 HydrophobicContact CB-CE1 4.12Å; L124-Y145 HydrophobicContact CB-CE2 3.52Å; L124-Y145 HydrophobicContact CB-CG 4.04Å; L124-Y145 HydrophobicContact CD1-CE1 3.99Å; L124-Y145 WeakPolarHBondContact O-CD2 3.24Å; L124-Y145 PolarHBondContact O-N 2.94Å; L124-Y145 VanDerWaalsContact O-N 3.15Å; L124-F253 HydrophobicContact CD1-CE1 3.94Å; L124-M320 HydrophobicContact CD1-CE 3.9Å | ||
| 125 | A | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -56.6 | 154 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E101 A127 F128 R140 F179 | E101-A125 VanDerWaalsContact CD-N 3.35Å; E101-A125 HydrophobicContact CG-CB 4.09Å; E101-A125 PolarHBondContact OE1-N 3.1Å; E101-A125 VanDerWaalsContact OE1-N 3.16Å; E101-A125 VanDerWaalsContact OE2-CB 3.3Å; E101-A125 WeakPolarHBondContact OE2-CB 3.48Å; E101-A125 PolarHBondContact OE2-N 2.97Å; E101-A125 VanDerWaalsContact OE2-N 3.09Å; A125-A127 PolarHBondContact O-N 3.1Å; A125-F128 HydrophobicContact CB-CD2 4.03Å; A125-F128 HydrophobicContact CB-CE2 4.27Å; A125-F128 PolarHBondContact O-N 3.17Å; A125-R140 PolarHBondContact O-NH1 2.78Å; A125-F179 HydrophobicContact CB-CB 4.33Å; A125-F179 HydrophobicContact CB-CD1 3.71Å; A125-F179 HydrophobicContact CB-CE1 4.17Å; A125-F179 HydrophobicContact CB-CG 4.05Å |
| 126 | T | 95.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -58.5 | -35.7 | -176.2 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | F128 K129 V146 E182 | T126-F128 VanDerWaalsContact C-N 3.27Å; T126-F128 PolarHBondContact O-N 2.94Å; T126-K129 WeakPolarHBondContact O-CB 3.37Å; T126-K129 PolarHBondContact O-N 3.16Å; T126-K129 VanDerWaalsContact O-N 3.14Å; T126-V146 HydrophobicContact CG2-CG2 3.91Å; T126-E182 WeakPolarHBondContact CB-OE2 3.25Å; T126-E182 PolarHBondContact OG1-OE2 3.28Å |
| 127 | A | 95.4 | Very high | 96.5 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 50% | 0.504 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -58.7 | -34.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A125 K129 N130 Y135 | A125-A127 PolarHBondContact O-N 3.1Å; A127-K129 PolarHBondContact O-N 3.17Å; A127-K129 VanDerWaalsContact O-N 3.07Å; A127-N130 PolarHBondContact O-N 2.89Å; A127-Y135 WeakPolarHBondContact O-CE2 3.23Å |
| 128 | F | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -67.6 | -7.9 | -179.5 | -71 | -74.1 | 0 | 0 | 0 | 114.2 | E101 A104 A105 A123 A125 T126 N130 Y135 L138 | E101-F128 HydrophobicContact CB-CE2 4.4Å; E101-F128 WeakPolarHBondContact O-CZ 3.31Å; E101-F128 WeakPolarHBondContact OE2-CD2 3.21Å; E101-F128 WeakPolarHBondContact OE2-CE2 3.42Å; A104-F128 HydrophobicContact CB-CE1 4.28Å; A104-F128 HydrophobicContact CB-CZ 3.89Å; A105-F128 HydrophobicContact CB-CE1 4.27Å; A105-F128 HydrophobicContact CB-CZ 3.86Å; A123-F128 HydrophobicContact CB-CD1 4.03Å; A123-F128 HydrophobicContact CB-CD2 3.88Å; A123-F128 HydrophobicContact CB-CE1 4.05Å; A123-F128 HydrophobicContact CB-CE2 3.95Å; A123-F128 HydrophobicContact CB-CG 3.93Å; A123-F128 HydrophobicContact CB-CZ 4.01Å; A123-F128 WeakPolarHBondContact O-CB 3.24Å; A123-F128 WeakPolarHBondContact O-CD2 3.38Å; A125-F128 HydrophobicContact CB-CD2 4.03Å; A125-F128 HydrophobicContact CB-CE2 4.27Å; A125-F128 PolarHBondContact O-N 3.17Å; T126-F128 VanDerWaalsContact C-N 3.27Å; T126-F128 PolarHBondContact O-N 2.94Å; F128-N130 VanDerWaalsContact C-N 3.25Å; F128-N130 PolarHBondContact O-N 3.42Å; F128-Y135 AromaticContact CD1-CD1 3.8Å; F128-Y135 HydrophobicContact CD1-CD1 3.8Å; F128-Y135 HydrophobicContact CD1-CD2 4.09Å; F128-Y135 AromaticContact CD1-CE1 3.72Å; F128-Y135 HydrophobicContact CD1-CE1 3.72Å; F128-Y135 HydrophobicContact CD1-CE2 4.03Å; F128-Y135 AromaticContact CD1-CG 3.95Å; F128-Y135 HydrophobicContact CD1-CG 3.95Å; F128-Y135 AromaticContact CD1-CZ 3.82Å; F128-Y135 AromaticContact CE1-CD1 3.97Å; F128-Y135 HydrophobicContact CE1-CD1 3.97Å; F128-Y135 AromaticContact CE1-CE1 3.54Å; F128-Y135 HydrophobicContact CE1-CE1 3.54Å; F128-Y135 HydrophobicContact CE1-CE2 4.47Å; F128-Y135 AromaticContact CE1-CZ 3.8Å; F128-L138 HydrophobicContact CB-CD2 3.96Å; F128-L138 HydrophobicContact CD1-CD2 3.6Å; F128-L138 HydrophobicContact CE1-CD2 4.44Å; F128-L138 HydrophobicContact CG-CD2 4.07Å |
| 129 | K | 95 | Very high | 96.5 | Very high | 123 Ų | 123 | 34.1 Ų | 34.1 | 54% | 0.535 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -63.2 | -29.5 | 173 | -175 | 179.6 | 176.8 | 180 | 0 | 112.5 | T126 A127 K131 N373 | T126-K129 WeakPolarHBondContact O-CB 3.37Å; T126-K129 PolarHBondContact O-N 3.16Å; T126-K129 VanDerWaalsContact O-N 3.14Å; A127-K129 PolarHBondContact O-N 3.17Å; A127-K129 VanDerWaalsContact O-N 3.07Å; K129-K131 PolarHBondContact O-N 3.11Å; K129-N373 PolarHBondContact O-ND2 3.43Å; K129-N373 PolarHBondContact O-OD1 3.42Å |
| 130 | N | 93.6 | Very high | 96.4 | Very high | 81 Ų | 81 | 34.2 Ų | 34.2 | 43% | 0.433 | 18% | 0.184 | S | C | . | . | trans | -78.5 | 88.9 | -177 | -173.6 | -5.5 | 0 | 0 | 0 | 112 | A127 F128 E132 | A127-N130 PolarHBondContact O-N 2.89Å; F128-N130 VanDerWaalsContact C-N 3.25Å; F128-N130 PolarHBondContact O-N 3.42Å; N130-E132 PolarHBondContact OD1-N 2.9Å | ||
| 131 | K | 96.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 6.2 | -179.3 | -52.7 | -161.3 | -166.8 | 172.1 | 0 | 114.5 | K129 T133 S136 L138 W357 N373 G374 D375 | K129-K131 PolarHBondContact O-N 3.11Å; K131-T133 PolarHBondContact O-N 3.35Å; K131-S136 WeakPolarHBondContact O-CA 3.39Å; K131-S136 VanDerWaalsContact O-CB 3.29Å; K131-S136 WeakPolarHBondContact O-CB 3.16Å; K131-L138 WeakPolarHBondContact CD-O 3.33Å; K131-L138 WeakPolarHBondContact CE-O 3.5Å; K131-L138 PolarHBondContact NZ-O 3.28Å; K131-W357 HydrophobicContact CB-CH2 3.83Å; K131-W357 HydrophobicContact CD-CH2 3.58Å; K131-W357 HydrophobicContact CD-CZ2 3.61Å; K131-W357 HydrophobicContact CD-CZ3 4.48Å; K131-W357 HydrophobicContact CG-CH2 4.37Å; K131-N373 WeakPolarHBondContact CD-O 3.25Å; K131-N373 WeakPolarHBondContact CE-O 3.44Å; K131-N373 PolarHBondContact NZ-O 3.03Å; K131-G374 PolarHBondContact NZ-O 3.42Å; K131-D375 VanDerWaalsContact CE-OD1 3.24Å; K131-D375 WeakPolarHBondContact CE-OD1 3.3Å; K131-D375 IonicContact NZ-OD1 3.01Å; K131-D375 PolarHBondContact NZ-OD1 3.26Å |
| 132 | E | 91.5 | Very high | 96.4 | Very high | 185 Ų | 185 | 34.2 Ų | 34.2 | 86% | 0.864 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -21.4 | 174.4 | -63.8 | -173.9 | 170.5 | 0 | 0 | 112.3 | N130 | N130-E132 PolarHBondContact OD1-N 2.9Š|
| 133 | T | 88.5 | Confident | 96.3 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 53% | 0.528 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -95.4 | -175.5 | 59 | 0 | 0 | 0 | 0 | 111.7 | K131 Y135 S136 | K131-T133 PolarHBondContact O-N 3.35Å; T133-Y135 PolarHBondContact O-N 3.23Å; T133-S136 PolarHBondContact O-OG 3.36Å |
| 134 | E | 93.7 | Very high | 96.2 | Very high | 74 Ų | 74 | 34.7 Ų | 34.7 | 35% | 0.346 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -15.6 | -161 | 72.2 | 174.4 | -170.5 | 0 | 0 | 114.3 | R109 S112 | R109-E134 WeakPolarHBondContact CA-O 3.46Å; R109-E134 HydrophobicContact CG-CB 4.05Å; R109-E134 HydrophobicContact CG-CG 4.39Å; R109-E134 IonicContact CZ-OE1 2.77Å; R109-E134 IonicContact CZ-OE2 3.14Å; R109-E134 IonicContact NE-OE1 3.8Å; R109-E134 PolarHBondContact NE-OE1 3.39Å; R109-E134 IonicContact NE-OE2 3.71Å; R109-E134 PolarHBondContact NE-OE2 2.81Å; R109-E134 IonicContact NH2-OE1 2.71Å; R109-E134 PolarHBondContact NH2-OE1 2.79Å; R109-E134 IonicContact NH2-OE2 3.73Å; R109-E134 PolarHBondContact NH2-OE2 3.3Å; S112-E134 PolarHBondContact OG-O 3.19Å |
| 135 | Y | 98.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 23.4 | 178.2 | -51.6 | -53.6 | 0 | 0 | 0 | 113.5 | V108 R109 A127 F128 T133 H137 L138 | V108-Y135 HydrophobicContact CB-CD1 4.01Å; V108-Y135 HydrophobicContact CB-CE1 4.49Å; V108-Y135 HydrophobicContact CG1-CD1 3.57Å; V108-Y135 HydrophobicContact CG1-CG 4.3Å; R109-Y135 HydrophobicContact CG-CD1 4.47Å; R109-Y135 HydrophobicContact CG-CE1 4.01Å; R109-Y135 PolarHBondContact NH2-OH 2.86Å; A127-Y135 WeakPolarHBondContact O-CE2 3.23Å; F128-Y135 AromaticContact CD1-CD1 3.8Å; F128-Y135 HydrophobicContact CD1-CD1 3.8Å; F128-Y135 HydrophobicContact CD1-CD2 4.09Å; F128-Y135 AromaticContact CD1-CE1 3.72Å; F128-Y135 HydrophobicContact CD1-CE1 3.72Å; F128-Y135 HydrophobicContact CD1-CE2 4.03Å; F128-Y135 AromaticContact CD1-CG 3.95Å; F128-Y135 HydrophobicContact CD1-CG 3.95Å; F128-Y135 AromaticContact CD1-CZ 3.82Å; F128-Y135 AromaticContact CE1-CD1 3.97Å; F128-Y135 HydrophobicContact CE1-CD1 3.97Å; F128-Y135 AromaticContact CE1-CE1 3.54Å; F128-Y135 HydrophobicContact CE1-CE1 3.54Å; F128-Y135 HydrophobicContact CE1-CE2 4.47Å; F128-Y135 AromaticContact CE1-CZ 3.8Å; T133-Y135 PolarHBondContact O-N 3.23Å; Y135-H137 PolarHBondContact O-N 3.45Å; Y135-H137 VanDerWaalsContact O-N 3.1Å; Y135-L138 WeakPolarHBondContact O-CB 3.37Å; Y135-L138 PolarHBondContact O-N 2.98Å; Y135-L138 VanDerWaalsContact O-N 3.09Å |
| 136 | S | 98.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.6 | -173.7 | 52.4 | 0 | 0 | 0 | 0 | 115.7 | S112 K131 T133 | S112-S136 PolarHBondContact OG-N 3.36Å; K131-S136 WeakPolarHBondContact O-CA 3.39Å; K131-S136 VanDerWaalsContact O-CB 3.29Å; K131-S136 WeakPolarHBondContact O-CB 3.16Å; T133-S136 PolarHBondContact O-OG 3.36Å |
| 137 | H | 98.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 9.1 | 180 | -66.1 | 67.9 | 0 | 0 | 0 | 113.8 | S112 K115 I116 V118 Y135 T350 | S112-H137 PolarHBondContact OG-N 3.48Å; K115-H137 WeakPolarHBondContact CA-NE2 3.34Å; I116-H137 VanDerWaalsContact O-CB 3.28Å; I116-H137 WeakPolarHBondContact O-CB 3.37Å; V118-H137 PolarHBondContact N-O 3.31Å; Y135-H137 PolarHBondContact O-N 3.45Å; Y135-H137 VanDerWaalsContact O-N 3.1Å; H137-T350 PolarHBondContact NE2-OG1 3.01Å |
| 138 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.9 | 177.9 | 178.6 | 61.6 | 0 | 0 | 0 | 112.4 | V108 V118 A123 F128 K131 Y135 R140 W357 | V108-L138 HydrophobicContact CG1-CB 3.7Å; V108-L138 HydrophobicContact CG1-CD2 4.35Å; V108-L138 HydrophobicContact CG1-CG 4.44Å; V108-L138 HydrophobicContact CG2-CD1 4.05Å; V108-L138 HydrophobicContact CG2-CD2 4.43Å; V118-L138 HydrophobicContact CB-CD1 4.32Å; V118-L138 HydrophobicContact CG1-CD1 4.11Å; V118-L138 CarbonylContact O-C 3.59Å; V118-L138 WeakPolarHBondContact O-CA 3.25Å; A123-L138 HydrophobicContact CB-CD2 4.09Å; F128-L138 HydrophobicContact CB-CD2 3.96Å; F128-L138 HydrophobicContact CD1-CD2 3.6Å; F128-L138 HydrophobicContact CE1-CD2 4.44Å; F128-L138 HydrophobicContact CG-CD2 4.07Å; K131-L138 WeakPolarHBondContact CD-O 3.33Å; K131-L138 WeakPolarHBondContact CE-O 3.5Å; K131-L138 PolarHBondContact NZ-O 3.28Å; Y135-L138 WeakPolarHBondContact O-CB 3.37Å; Y135-L138 PolarHBondContact O-N 2.98Å; Y135-L138 VanDerWaalsContact O-N 3.09Å; L138-R140 HydrophobicContact CD1-CG 4.36Å; L138-R140 HydrophobicContact CD2-CG 3.98Å; L138-R140 HydrophobicContact CG-CG 3.99Å; L138-W357 WeakPolarHBondContact O-CZ2 3.08Å |
| 139 | T | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126 | 164.4 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | V118 I119 S120 L331 M356 W357 I370 G374 | V118-T139 PolarHBondContact O-N 3.35Å; I119-T139 WeakPolarHBondContact CA-O 3.4Å; S120-T139 PolarHBondContact N-O 2.79Å; T139-L331 HydrophobicContact CG2-CD2 3.95Å; T139-M356 HydrophobicContact CG2-CB 4.37Å; T139-M356 WeakPolarHBondContact OG1-CE 3.31Å; T139-W357 PolarHBondContact OG1-NE1 3.05Å; T139-I370 HydrophobicContact CG2-CG2 4.03Å; T139-G374 WeakPolarHBondContact CA-O 3.35Å |
| 140 | R | 98.8 | Very high | 96 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 108.4 | 179.1 | -62.8 | -171.1 | -68.6 | 177.7 | -0.4 | 108.9 | S120 A123 L124 A125 L138 A142 S144 G374 D375 R376 | S120-R140 WeakPolarHBondContact O-CA 3.47Å; A123-R140 WeakPolarHBondContact O-CD 3.43Å; A123-R140 PolarHBondContact O-NH1 2.87Å; A123-R140 VanDerWaalsContact O-NH1 3.13Å; L124-R140 PolarHBondContact O-NH1 2.85Å; A125-R140 PolarHBondContact O-NH1 2.78Å; L138-R140 HydrophobicContact CD1-CG 4.36Å; L138-R140 HydrophobicContact CD2-CG 3.98Å; L138-R140 HydrophobicContact CG-CG 3.99Å; R140-A142 VanDerWaalsContact C-N 3.26Å; R140-S144 PolarHBondContact NH2-OG 2.98Å; R140-G374 PolarHBondContact N-O 3.39Å; R140-D375 IonicContact CZ-OD1 3.61Å; R140-D375 IonicContact CZ-OD2 3.96Å; R140-D375 VanDerWaalsContact NE-CG 3.34Å; R140-D375 IonicContact NE-OD1 3.79Å; R140-D375 PolarHBondContact NE-OD1 3.28Å; R140-D375 IonicContact NE-OD2 2.85Å; R140-D375 IonicContact NH2-OD1 2.57Å; R140-D375 PolarHBondContact NH2-OD1 2.81Å; R140-D375 IonicContact NH2-OD2 3.5Å; R140-D375 PolarHBondContact NH2-OD2 3.32Å; R140-R376 WeakPolarHBondContact O-CB 3.33Å; R140-R376 PolarHBondContact O-N 3.01Å |
| 141 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -5.4 | -176.4 | -159.8 | 55.9 | 0 | 0 | 0 | 112.8 | I119 S120 A121 G324 D327 A328 L331 F361 V368 I370 R376 | I119-I141 HydrophobicContact CG2-CB 3.79Å; I119-I141 HydrophobicContact CG2-CG1 4.43Å; I119-I141 HydrophobicContact CG2-CG2 4.18Å; S120-I141 PolarHBondContact O-N 2.69Å; A121-I141 HydrophobicContact CB-CG2 3.77Å; I141-G324 WeakPolarHBondContact CG1-O 3.11Å; I141-G324 VanDerWaalsContact CG2-O 3.23Å; I141-G324 WeakPolarHBondContact CG2-O 3.14Å; I141-D327 HydrophobicContact CD1-CB 4.5Å; I141-D327 HydrophobicContact CG1-CB 4.2Å; I141-A328 HydrophobicContact CG1-CB 4.33Å; I141-A328 HydrophobicContact CG2-CB 4.29Å; I141-L331 HydrophobicContact CD1-CB 4.42Å; I141-L331 HydrophobicContact CD1-CD2 3.67Å; I141-F361 HydrophobicContact CD1-CE1 4.23Å; I141-F361 HydrophobicContact CD1-CZ 3.99Å; I141-V368 HydrophobicContact CD1-CG1 4.11Å; I141-I370 HydrophobicContact CD1-CD1 3.91Å; I141-R376 WeakPolarHBondContact O-CD 3.44Å; I141-R376 PolarHBondContact O-NH1 3.18Å |
| 142 | A | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 148.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A121 L124 R140 S144 M320 | A121-A142 HydrophobicContact CB-CB 4.24Å; A121-A142 VanDerWaalsContact O-CB 3.23Å; A121-A142 WeakPolarHBondContact O-CB 3.48Å; L124-A142 HydrophobicContact CD2-CB 4.03Å; R140-A142 VanDerWaalsContact C-N 3.26Å; A142-S144 PolarHBondContact O-N 2.87Å; A142-M320 HydrophobicContact CB-CE 3.48Å; A142-M320 VanDerWaalsContact CB-CE 3.48Å; A142-M320 HydrophobicContact CB-CG 4.13Å; A142-M320 HydrophobicContact CB-SD 3.62Å |
| 143 | P | 95.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 18 Ų | 18 | 7% | 0.065 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 130 | 173.7 | -23.3 | 36.4 | 0 | 0 | 0 | 111.1 | K147 L285 R376 F380 | P143-K147 HydrophobicContact CB-CB 4.17Å; P143-L285 HydrophobicContact CB-CD2 4.4Å; P143-L285 HydrophobicContact CG-CD2 3.88Å; P143-R376 HydrophobicContact CG-CG 4.21Å; P143-F380 HydrophobicContact CB-CZ 3.98Å |
| 144 | S | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.014 | 8% | 0.076 | C | C | . | . | trans | -73.1 | 165.4 | 176.5 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | L124 R140 A142 V146 K147 M148 | L124-S144 WeakPolarHBondContact O-CB 3.35Å; R140-S144 PolarHBondContact NH2-OG 2.98Å; A142-S144 PolarHBondContact O-N 2.87Å; S144-V146 PolarHBondContact O-N 2.88Å; S144-V146 VanDerWaalsContact O-N 3.16Å; S144-K147 WeakPolarHBondContact O-CB 3.35Å; S144-K147 PolarHBondContact O-N 2.99Å; S144-M148 PolarHBondContact O-N 3.15Å | ||
| 145 | Y | 96.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 11.2 Ų | 11.2 | 4% | 0.039 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.9 | -28.6 | 176.5 | -61.2 | -47.7 | 0 | 0 | 0 | 112.9 | L124 K147 M148 A149 F179 T180 L252 F253 | L124-Y145 VanDerWaalsContact C-CD2 3.46Å; L124-Y145 HydrophobicContact CB-CD1 4.25Å; L124-Y145 HydrophobicContact CB-CD2 3.67Å; L124-Y145 HydrophobicContact CB-CE1 4.12Å; L124-Y145 HydrophobicContact CB-CE2 3.52Å; L124-Y145 HydrophobicContact CB-CG 4.04Å; L124-Y145 HydrophobicContact CD1-CE1 3.99Å; L124-Y145 WeakPolarHBondContact O-CD2 3.24Å; L124-Y145 PolarHBondContact O-N 2.94Å; L124-Y145 VanDerWaalsContact O-N 3.15Å; Y145-K147 VanDerWaalsContact C-N 3.34Å; Y145-K147 PolarHBondContact O-N 2.7Å; Y145-M148 PolarHBondContact O-N 3.32Å; Y145-A149 PolarHBondContact O-N 2.83Å; Y145-F179 VanDerWaalsContact CD2-C 3.41Å; Y145-F179 HydrophobicContact CD2-CB 3.65Å; Y145-F179 WeakPolarHBondContact CD2-O 3.35Å; Y145-F179 HydrophobicContact CE2-CB 3.43Å; Y145-F179 VanDerWaalsContact CE2-CB 3.43Å; Y145-T180 HydrophobicContact CD1-CG2 4.35Å; Y145-T180 WeakPolarHBondContact CD1-OG1 3.44Å; Y145-T180 WeakPolarHBondContact CE1-OG1 3.37Å; Y145-L252 HydrophobicContact CE1-CD2 4.4Å; Y145-F253 HydrophobicContact CE1-CE1 4.3Å |
| 146 | V | 95.5 | Very high | 96.2 | Very high | 15 Ų | 15 | 11 Ų | 11 | 9% | 0.091 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | 173.1 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | T126 S144 M148 A149 E150 | T126-V146 HydrophobicContact CG2-CG2 3.91Å; S144-V146 PolarHBondContact O-N 2.88Å; S144-V146 VanDerWaalsContact O-N 3.16Å; V146-M148 VanDerWaalsContact C-N 3.32Å; V146-M148 PolarHBondContact O-N 3.33Å; V146-A149 WeakPolarHBondContact O-CB 3.21Å; V146-A149 PolarHBondContact O-N 3.37Å; V146-E150 WeakPolarHBondContact O-CG 3.37Å; V146-E150 PolarHBondContact O-N 3.43Å |
| 147 | K | 95.4 | Very high | 96 | Very high | 25 Ų | 25 | 14.5 Ų | 14.5 | 11% | 0.109 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.7 | -59.9 | -60.3 | -172.9 | 177.7 | 0 | 111.5 | P143 S144 Y145 E150 D371 F380 | P143-K147 HydrophobicContact CB-CB 4.17Å; S144-K147 WeakPolarHBondContact O-CB 3.35Å; S144-K147 PolarHBondContact O-N 2.99Å; Y145-K147 VanDerWaalsContact C-N 3.34Å; Y145-K147 PolarHBondContact O-N 2.7Å; K147-E150 VanDerWaalsContact CD-OE2 3.25Å; K147-E150 WeakPolarHBondContact CD-OE2 3.46Å; K147-E150 WeakPolarHBondContact O-CB 3.36Å; K147-E150 PolarHBondContact O-N 2.96Å; K147-D371 WeakPolarHBondContact CE-OD2 3.43Å; K147-D371 IonicContact NZ-OD2 3.17Å; K147-D371 PolarHBondContact NZ-OD2 3.43Å; K147-F380 HydrophobicContact CB-CE2 4.14Å; K147-F380 HydrophobicContact CB-CZ 4.35Å; K147-F380 WeakPolarHBondContact O-CE2 3.35Å |
| 148 | M | 95.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 18.8 Ų | 18.8 | 4% | 0.044 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 171.8 | 179.7 | -76.9 | -58.6 | 0 | 0 | 110.7 | S144 Y145 V146 E150 T151 F152 T180 V184 V250 V283 F380 | S144-M148 PolarHBondContact O-N 3.15Å; Y145-M148 PolarHBondContact O-N 3.32Å; V146-M148 VanDerWaalsContact C-N 3.32Å; V146-M148 PolarHBondContact O-N 3.33Å; M148-E150 VanDerWaalsContact C-N 3.26Å; M148-E150 PolarHBondContact O-N 3.47Å; M148-T151 WeakPolarHBondContact O-CA 3.3Å; M148-T151 WeakPolarHBondContact O-CB 3.35Å; M148-T151 PolarHBondContact O-N 2.7Å; M148-T151 PolarHBondContact O-OG1 3.49Å; M148-F152 PolarHBondContact O-N 2.91Å; M148-F152 HydrophobicContact SD-CD2 3.43Å; M148-F152 WeakPolarHBondContact SD-CD2 3.43Å; M148-F152 HydrophobicContact SD-CE2 3.35Å; M148-F152 WeakPolarHBondContact SD-CE2 3.16Å; M148-T180 HydrophobicContact CE-CG2 3.43Å; M148-T180 VanDerWaalsContact CE-CG2 3.43Å; M148-T180 WeakPolarHBondContact CE-O 3.28Å; M148-V184 HydrophobicContact CE-CG2 3.71Å; M148-V184 HydrophobicContact SD-CG2 4.21Å; M148-V250 HydrophobicContact CG-CG1 4.07Å; M148-V250 HydrophobicContact SD-CG1 4.21Å; M148-V250 HydrophobicContact SD-CG2 4.36Å; M148-V283 HydrophobicContact CG-CG1 4.5Å; M148-F380 VanDerWaalsContact CA-CZ 3.43Å; M148-F380 HydrophobicContact CB-CE1 3.76Å; M148-F380 HydrophobicContact CB-CE2 4.35Å; M148-F380 HydrophobicContact CB-CZ 3.62Å; M148-F380 HydrophobicContact CG-CE1 4.06Å; M148-F380 HydrophobicContact CG-CZ 4.39Å |
| 149 | A | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -34.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y145 V146 T151 F152 K153 G183 V184 L187 | Y145-A149 PolarHBondContact O-N 2.83Å; V146-A149 WeakPolarHBondContact O-CB 3.21Å; V146-A149 PolarHBondContact O-N 3.37Å; A149-T151 PolarHBondContact O-N 2.74Å; A149-F152 PolarHBondContact O-N 3.46Å; A149-F152 VanDerWaalsContact O-N 3.11Å; A149-K153 PolarHBondContact O-N 3.33Å; A149-G183 VanDerWaalsContact CB-C 3.43Å; A149-G183 VanDerWaalsContact CB-O 3.31Å; A149-G183 WeakPolarHBondContact CB-O 3.39Å; A149-V184 HydrophobicContact CB-CB 4.43Å; A149-V184 HydrophobicContact CB-CG2 3.98Å; A149-L187 HydrophobicContact CB-CB 4.12Å; A149-L187 HydrophobicContact CB-CD2 3.7Å |
| 150 | E | 95.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 25 Ų | 25 | 18% | 0.182 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.2 | -32.2 | 174.5 | -71.3 | 171.6 | 159.1 | 0 | 0 | 112 | V146 K147 M148 A154 L187 | V146-E150 WeakPolarHBondContact O-CG 3.37Å; V146-E150 PolarHBondContact O-N 3.43Å; K147-E150 VanDerWaalsContact CD-OE2 3.25Å; K147-E150 WeakPolarHBondContact CD-OE2 3.46Å; K147-E150 WeakPolarHBondContact O-CB 3.36Å; K147-E150 PolarHBondContact O-N 2.96Å; M148-E150 VanDerWaalsContact C-N 3.26Å; M148-E150 PolarHBondContact O-N 3.47Å; E150-A154 PolarHBondContact O-N 3.36Å; E150-L187 HydrophobicContact CB-CD2 4.22Å; E150-L187 HydrophobicContact CG-CD2 3.7Å; E150-L187 VanDerWaalsContact N-CD2 3.3Å |
| 151 | T | 94.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -51.9 | 172.4 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | M148 A149 K153 A154 M155 F380 Y399 F406 | M148-T151 WeakPolarHBondContact O-CA 3.3Å; M148-T151 WeakPolarHBondContact O-CB 3.35Å; M148-T151 PolarHBondContact O-N 2.7Å; M148-T151 PolarHBondContact O-OG1 3.49Å; A149-T151 PolarHBondContact O-N 2.74Å; T151-K153 PolarHBondContact O-N 3.05Å; T151-A154 PolarHBondContact O-N 3.48Å; T151-M155 HydrophobicContact CG2-CE 4.43Å; T151-M155 WeakPolarHBondContact O-CG 3.39Å; T151-M155 PolarHBondContact O-N 3.05Å; T151-F380 HydrophobicContact CG2-CB 4.17Å; T151-F380 WeakPolarHBondContact OG1-CD2 3.49Å; T151-Y399 HydrophobicContact CG2-CD1 4.41Å; T151-Y399 HydrophobicContact CG2-CG 4.08Å; T151-Y399 WeakPolarHBondContact OG1-CD1 3.29Å; T151-F406 HydrophobicContact CG2-CE1 3.99Å; T151-F406 HydrophobicContact CG2-CZ 3.57Å; T151-F406 WeakPolarHBondContact O-CE2 3.37Å; T151-F406 WeakPolarHBondContact O-CZ 3.41Å |
| 152 | F | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 176.5 | -80.4 | -70.6 | 0 | 0 | 0 | 112.2 | M148 A149 A154 M155 F156 V184 M188 I220 F248 V250 V283 | M148-F152 PolarHBondContact O-N 2.91Å; M148-F152 HydrophobicContact SD-CD2 3.43Å; M148-F152 WeakPolarHBondContact SD-CD2 3.43Å; M148-F152 HydrophobicContact SD-CE2 3.35Å; M148-F152 WeakPolarHBondContact SD-CE2 3.16Å; A149-F152 PolarHBondContact O-N 3.46Å; A149-F152 VanDerWaalsContact O-N 3.11Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 2.89Å; F152-M155 HydrophobicContact CD1-CE 3.37Å; F152-M155 HydrophobicContact CE1-CE 3.64Å; F152-M155 HydrophobicContact CG-CE 4.06Å; F152-M155 WeakPolarHBondContact O-CB 3.36Å; F152-M155 PolarHBondContact O-N 3.22Å; F152-M155 VanDerWaalsContact O-N 3.1Å; F152-F156 VanDerWaalsContact O-CD2 3.24Å; F152-F156 WeakPolarHBondContact O-CD2 3.2Å; F152-F156 PolarHBondContact O-N 3.5Å; F152-V184 HydrophobicContact CD2-CG2 4Å; F152-M188 HydrophobicContact CB-SD 4.28Å; F152-I220 HydrophobicContact CD1-CD1 3.54Å; F152-I220 HydrophobicContact CD1-CG1 4.26Å; F152-I220 HydrophobicContact CD2-CD1 4.4Å; F152-I220 HydrophobicContact CE1-CD1 3.63Å; F152-I220 HydrophobicContact CE1-CG1 3.87Å; F152-I220 HydrophobicContact CE1-CG2 4.12Å; F152-I220 HydrophobicContact CE2-CD1 4.45Å; F152-I220 HydrophobicContact CE2-CG2 4.03Å; F152-I220 HydrophobicContact CG-CD1 3.96Å; F152-I220 HydrophobicContact CZ-CD1 4.1Å; F152-I220 HydrophobicContact CZ-CG1 4.26Å; F152-I220 HydrophobicContact CZ-CG2 3.62Å; F152-F248 HydrophobicContact CE1-CB 3.88Å; F152-F248 HydrophobicContact CE1-CD1 4.02Å; F152-F248 HydrophobicContact CE1-CD2 4.28Å; F152-F248 AromaticContact CE1-CG 3.81Å; F152-F248 HydrophobicContact CE1-CG 3.81Å; F152-F248 HydrophobicContact CZ-CB 4.06Å; F152-F248 HydrophobicContact CZ-CG 4.42Å; F152-V250 HydrophobicContact CE2-CG2 3.94Å; F152-V250 HydrophobicContact CZ-CG2 4.14Å; F152-V283 HydrophobicContact CE1-CG2 4.13Å; F152-V283 HydrophobicContact CE2-CG2 4.2Å; F152-V283 HydrophobicContact CZ-CB 4.4Å; F152-V283 HydrophobicContact CZ-CG2 3.67Å |
| 153 | K | 95.2 | Very high | 94.7 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 21% | 0.209 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.3 | -48.6 | 178.5 | 178.9 | 162.7 | -175 | 155.7 | 0 | 111.9 | A149 T151 M155 F156 E157 L187 | A149-K153 PolarHBondContact O-N 3.33Å; T151-K153 PolarHBondContact O-N 3.05Å; K153-M155 VanDerWaalsContact C-N 3.34Å; K153-M155 PolarHBondContact O-N 3.2Å; K153-F156 PolarHBondContact O-N 2.98Å; K153-E157 WeakPolarHBondContact CE-OE1 3Å; K153-E157 WeakPolarHBondContact O-CG 3.37Å; K153-E157 PolarHBondContact O-N 3.47Å; K153-L187 HydrophobicContact CB-CD2 4.16Å; K153-L187 HydrophobicContact CD-CD1 4.4Å; K153-L187 HydrophobicContact CD-CD2 4.27Å; K153-L187 HydrophobicContact CD-CG 3.93Å; K153-L187 PolarHBondContact NZ-O 3.39Å |
| 154 | A | 93.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 31.1 Ų | 31.1 | 13% | 0.132 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.4 | -23.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | E150 T151 F152 H158 Y399 F406 | E150-A154 PolarHBondContact O-N 3.36Å; T151-A154 PolarHBondContact O-N 3.48Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 2.89Å; A154-H158 VanDerWaalsContact O-CB 3.29Å; A154-H158 WeakPolarHBondContact O-CB 3.5Å; A154-H158 PolarHBondContact O-N 3.27Å; A154-Y399 HydrophobicContact CB-CE2 4.11Å; A154-F406 HydrophobicContact CB-CD2 3.69Å; A154-F406 HydrophobicContact CB-CE2 3.31Å |
| 155 | M | 92.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.4 | -44.1 | 166.8 | -69.6 | -167.3 | -68.6 | 0 | 0 | 111.9 | T151 F152 K153 E157 H158 F159 W161 F248 V283 L382 F406 | T151-M155 HydrophobicContact CG2-CE 4.43Å; T151-M155 WeakPolarHBondContact O-CG 3.39Å; T151-M155 PolarHBondContact O-N 3.05Å; F152-M155 HydrophobicContact CD1-CE 3.37Å; F152-M155 HydrophobicContact CE1-CE 3.64Å; F152-M155 HydrophobicContact CG-CE 4.06Å; F152-M155 WeakPolarHBondContact O-CB 3.36Å; F152-M155 PolarHBondContact O-N 3.22Å; F152-M155 VanDerWaalsContact O-N 3.1Å; K153-M155 VanDerWaalsContact C-N 3.34Å; K153-M155 PolarHBondContact O-N 3.2Å; M155-E157 VanDerWaalsContact C-N 3.3Å; M155-E157 PolarHBondContact O-N 2.99Å; M155-H158 PolarHBondContact O-N 3.38Å; M155-F159 HydrophobicContact CB-CD2 4.2Å; M155-F159 HydrophobicContact CB-CE2 4.45Å; M155-F159 VanDerWaalsContact O-CD2 3.31Å; M155-F159 WeakPolarHBondContact O-CD2 3.22Å; M155-F159 PolarHBondContact O-N 3.01Å; M155-W161 HydrophobicContact CB-CH2 4.48Å; M155-W161 HydrophobicContact CB-CZ3 3.8Å; M155-F248 HydrophobicContact CE-CD1 4.4Å; M155-F248 HydrophobicContact CE-CE1 4.03Å; M155-F248 HydrophobicContact CE-CZ 4.47Å; M155-F248 HydrophobicContact SD-CE1 4.14Å; M155-F248 HydrophobicContact SD-CZ 4.49Å; M155-V283 HydrophobicContact CE-CG2 4.22Å; M155-L382 HydrophobicContact SD-CD2 4Å; M155-F406 HydrophobicContact CB-CZ 4.37Å; M155-F406 HydrophobicContact CG-CE1 3.68Å; M155-F406 HydrophobicContact CG-CE2 3.86Å; M155-F406 HydrophobicContact CG-CZ 3.29Å; M155-F406 VanDerWaalsContact N-CE2 3.32Å; M155-F406 HydrophobicContact SD-CE1 4.43Å; M155-F406 HydrophobicContact SD-CZ 4.41Å |
| 156 | F | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 176.6 | -88.7 | -114.1 | 0 | 0 | 0 | 111.7 | F152 K153 T160 W161 A164 M188 Y191 V218 I220 | F152-F156 VanDerWaalsContact O-CD2 3.24Å; F152-F156 WeakPolarHBondContact O-CD2 3.2Å; F152-F156 PolarHBondContact O-N 3.5Å; K153-F156 PolarHBondContact O-N 2.98Å; F156-T160 CarbonylContact O-C 3.53Å; F156-T160 VanDerWaalsContact O-CA 3.26Å; F156-T160 WeakPolarHBondContact O-CA 3.42Å; F156-T160 PolarHBondContact O-N 2.98Å; F156-W161 HydrophobicContact CD1-CB 3.65Å; F156-W161 AromaticContact CD2-CE3 3.59Å; F156-W161 HydrophobicContact CD2-CE3 3.59Å; F156-W161 HydrophobicContact CD2-CZ3 4.22Å; F156-W161 HydrophobicContact CE1-CB 3.86Å; F156-W161 AromaticContact CE2-CE3 3.75Å; F156-W161 HydrophobicContact CE2-CE3 3.75Å; F156-W161 HydrophobicContact CE2-CZ3 4.33Å; F156-W161 HydrophobicContact CG-CB 4.08Å; F156-W161 HydrophobicContact CG-CE3 4.05Å; F156-W161 HydrophobicContact CZ-CB 4.46Å; F156-W161 HydrophobicContact CZ-CE3 4.32Å; F156-W161 PolarHBondContact O-N 3.43Å; F156-A164 HydrophobicContact CE1-CB 4.11Å; F156-A164 HydrophobicContact CZ-CB 3.74Å; F156-M188 HydrophobicContact CB-CE 4.47Å; F156-M188 HydrophobicContact CD1-CE 3.38Å; F156-M188 HydrophobicContact CD2-CE 3.74Å; F156-M188 HydrophobicContact CD2-SD 4.5Å; F156-M188 HydrophobicContact CE1-CE 3.35Å; F156-M188 HydrophobicContact CE2-CE 3.7Å; F156-M188 HydrophobicContact CE2-SD 4.45Å; F156-M188 HydrophobicContact CG-CE 3.59Å; F156-M188 HydrophobicContact CZ-CE 3.51Å; F156-Y191 HydrophobicContact CB-CE1 3.83Å; F156-Y191 AromaticContact CD1-CD1 3.7Å; F156-Y191 HydrophobicContact CD1-CD1 3.7Å; F156-Y191 AromaticContact CD1-CE1 3.8Å; F156-Y191 HydrophobicContact CD1-CE1 3.8Å; F156-Y191 HydrophobicContact CD1-CG 4.29Å; F156-Y191 HydrophobicContact CE1-CD1 4.47Å; F156-Y191 HydrophobicContact CG-CE1 4.29Å; F156-V218 HydrophobicContact CE1-CB 4.47Å; F156-V218 HydrophobicContact CE1-CG2 4.2Å; F156-V218 HydrophobicContact CE2-CB 4.22Å; F156-V218 HydrophobicContact CE2-CG1 4.04Å; F156-V218 HydrophobicContact CE2-CG2 4.08Å; F156-V218 HydrophobicContact CZ-CB 3.62Å; F156-V218 HydrophobicContact CZ-CG1 3.9Å; F156-V218 HydrophobicContact CZ-CG2 3.61Å; F156-I220 HydrophobicContact CE2-CD1 4.5Å |
| 157 | E | 92.8 | Very high | 95 | Very high | 109 Ų | 109 | 29.9 Ų | 29.9 | 51% | 0.509 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.1 | -70.6 | 171.6 | -175.9 | 0 | 0 | 111.7 | K153 M155 Y191 | K153-E157 WeakPolarHBondContact CE-OE1 3Å; K153-E157 WeakPolarHBondContact O-CG 3.37Å; K153-E157 PolarHBondContact O-N 3.47Å; M155-E157 VanDerWaalsContact C-N 3.3Å; M155-E157 PolarHBondContact O-N 2.99Å; E157-Y191 WeakPolarHBondContact CG-OH 3.37Å |
| 158 | H | 91.1 | Very high | 95 | Very high | 103 Ų | 103 | 29 Ų | 29 | 48% | 0.477 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -70.2 | -48.6 | -177.2 | -172.1 | 81.2 | 0 | 0 | 0 | 113.3 | A154 M155 T160 | A154-H158 VanDerWaalsContact O-CB 3.29Å; A154-H158 WeakPolarHBondContact O-CB 3.5Å; A154-H158 PolarHBondContact O-N 3.27Å; M155-H158 PolarHBondContact O-N 3.38Å; H158-T160 VanDerWaalsContact C-N 3.3Å |
| 159 | F | 91 | Very high | 95 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -88.7 | 1.4 | -178.3 | -62.5 | -65.8 | 0 | 0 | 0 | 113.3 | M155 W161 F417 | M155-F159 HydrophobicContact CB-CD2 4.2Å; M155-F159 HydrophobicContact CB-CE2 4.45Å; M155-F159 VanDerWaalsContact O-CD2 3.31Å; M155-F159 WeakPolarHBondContact O-CD2 3.22Å; M155-F159 PolarHBondContact O-N 3.01Å; F159-W161 HydrophobicContact CB-CD2 3.83Å; F159-W161 VanDerWaalsContact CB-CE2 3.44Å; F159-W161 HydrophobicContact CB-CE3 4.35Å; F159-W161 HydrophobicContact CB-CG 4.28Å; F159-W161 HydrophobicContact CB-CH2 4.14Å; F159-W161 HydrophobicContact CB-CZ2 3.63Å; F159-W161 AromaticContact CD2-CH2 3.45Å; F159-W161 HydrophobicContact CD2-CH2 3.45Å; F159-W161 VanDerWaalsContact CD2-CH2 3.45Å; F159-W161 AromaticContact CD2-CZ2 3.7Å; F159-W161 HydrophobicContact CD2-CZ2 3.7Å; F159-W161 AromaticContact CD2-CZ3 3.98Å; F159-W161 HydrophobicContact CD2-CZ3 3.98Å; F159-W161 HydrophobicContact CE2-CH2 4.16Å; F159-W161 HydrophobicContact CG-CH2 4.02Å; F159-W161 AromaticContact CG-CZ2 3.76Å; F159-W161 HydrophobicContact CG-CZ2 3.76Å; F159-W161 PolarHBondContact O-N 3.46Å; F159-F417 HydrophobicContact CD1-CB 3.6Å; F159-F417 HydrophobicContact CD1-CG 4.4Å; F159-F417 HydrophobicContact CD2-CB 4.33Å; F159-F417 HydrophobicContact CE1-CB 3.49Å; F159-F417 VanDerWaalsContact CE1-CB 3.49Å; F159-F417 AromaticContact CE1-CD2 3.61Å; F159-F417 HydrophobicContact CE1-CD2 3.61Å; F159-F417 AromaticContact CE1-CG 3.87Å; F159-F417 HydrophobicContact CE1-CG 3.87Å; F159-F417 HydrophobicContact CE2-CB 4.23Å; F159-F417 HydrophobicContact CE2-CD2 4.02Å; F159-F417 HydrophobicContact CE2-CG 4.09Å; F159-F417 HydrophobicContact CG-CB 4.04Å; F159-F417 HydrophobicContact CZ-CB 3.82Å; F159-F417 AromaticContact CZ-CD2 3.29Å; F159-F417 HydrophobicContact CZ-CD2 3.29Å; F159-F417 HydrophobicContact CZ-CE2 4.01Å; F159-F417 AromaticContact CZ-CG 3.7Å; F159-F417 HydrophobicContact CZ-CG 3.7Å |
| 160 | T | 92.8 | Very high | 94.8 | Very high | 98 Ų | 98 | 30.9 Ų | 30.9 | 60% | 0.601 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 22.4 | 176 | 67.9 | 0 | 0 | 0 | 0 | 115.2 | F156 H158 K162 | F156-T160 CarbonylContact O-C 3.53Å; F156-T160 VanDerWaalsContact O-CA 3.26Å; F156-T160 WeakPolarHBondContact O-CA 3.42Å; F156-T160 PolarHBondContact O-N 2.98Å; H158-T160 VanDerWaalsContact C-N 3.3Å; T160-K162 VanDerWaalsContact O-CE 3.31Å; T160-K162 WeakPolarHBondContact O-CE 3.39Å |
| 161 | W | 95.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | trans | -61.8 | 154.4 | 172.5 | -55.6 | -36.1 | 0 | 0 | 0 | 111.4 | M155 F156 F159 Y191 E217 V218 M246 F248 F417 | M155-W161 HydrophobicContact CB-CH2 4.48Å; M155-W161 HydrophobicContact CB-CZ3 3.8Å; F156-W161 HydrophobicContact CD1-CB 3.65Å; F156-W161 AromaticContact CD2-CE3 3.59Å; F156-W161 HydrophobicContact CD2-CE3 3.59Å; F156-W161 HydrophobicContact CD2-CZ3 4.22Å; F156-W161 HydrophobicContact CE1-CB 3.86Å; F156-W161 AromaticContact CE2-CE3 3.75Å; F156-W161 HydrophobicContact CE2-CE3 3.75Å; F156-W161 HydrophobicContact CE2-CZ3 4.33Å; F156-W161 HydrophobicContact CG-CB 4.08Å; F156-W161 HydrophobicContact CG-CE3 4.05Å; F156-W161 HydrophobicContact CZ-CB 4.46Å; F156-W161 HydrophobicContact CZ-CE3 4.32Å; F156-W161 PolarHBondContact O-N 3.43Å; F159-W161 HydrophobicContact CB-CD2 3.83Å; F159-W161 VanDerWaalsContact CB-CE2 3.44Å; F159-W161 HydrophobicContact CB-CE3 4.35Å; F159-W161 HydrophobicContact CB-CG 4.28Å; F159-W161 HydrophobicContact CB-CH2 4.14Å; F159-W161 HydrophobicContact CB-CZ2 3.63Å; F159-W161 AromaticContact CD2-CH2 3.45Å; F159-W161 HydrophobicContact CD2-CH2 3.45Å; F159-W161 VanDerWaalsContact CD2-CH2 3.45Å; F159-W161 AromaticContact CD2-CZ2 3.7Å; F159-W161 HydrophobicContact CD2-CZ2 3.7Å; F159-W161 AromaticContact CD2-CZ3 3.98Å; F159-W161 HydrophobicContact CD2-CZ3 3.98Å; F159-W161 HydrophobicContact CE2-CH2 4.16Å; F159-W161 HydrophobicContact CG-CH2 4.02Å; F159-W161 AromaticContact CG-CZ2 3.76Å; F159-W161 HydrophobicContact CG-CZ2 3.76Å; F159-W161 PolarHBondContact O-N 3.46Å; W161-Y191 WeakPolarHBondContact O-CE1 3.28Å; W161-E217 WeakPolarHBondContact CA-OE2 3.29Å; W161-V218 HydrophobicContact CB-CG2 4Å; W161-V218 HydrophobicContact CD2-CG2 3.54Å; W161-V218 HydrophobicContact CE3-CG2 3.63Å; W161-V218 HydrophobicContact CG-CG2 3.72Å; W161-V218 HydrophobicContact CZ3-CG2 4.34Å; W161-M246 HydrophobicContact CH2-CG 4.41Å; W161-M246 HydrophobicContact CZ2-CG 4.15Å; W161-F248 AromaticContact CH2-CE2 3.88Å; W161-F248 HydrophobicContact CH2-CE2 3.88Å; W161-F248 AromaticContact CH2-CZ 3.54Å; W161-F248 HydrophobicContact CH2-CZ 3.54Å; W161-F248 HydrophobicContact CZ2-CZ 4.47Å; W161-F248 AromaticContact CZ3-CE2 3.99Å; W161-F248 HydrophobicContact CZ3-CE2 3.99Å; W161-F248 AromaticContact CZ3-CZ 3.91Å; W161-F248 HydrophobicContact CZ3-CZ 3.91Å; W161-F417 HydrophobicContact CH2-CD1 4.48Å; W161-F417 HydrophobicContact CZ2-CB 4.02Å; W161-F417 HydrophobicContact CZ2-CD1 4.46Å; W161-F417 PolarHBondContact NE1-O 3.42Å | ||
| 162 | K | 95.5 | Very high | 94.2 | Very high | 127 Ų | 127 | 37.5 Ų | 37.5 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | trans | -128.6 | -22 | -171.5 | -59.8 | -60.5 | 167.8 | -152.3 | 0 | 113.9 | T160 N192 E217 | T160-K162 VanDerWaalsContact O-CE 3.31Å; T160-K162 WeakPolarHBondContact O-CE 3.39Å; K162-N192 PolarHBondContact O-N 2.91Å; K162-N192 VanDerWaalsContact O-N 3.13Å; K162-E217 PolarHBondContact N-OE2 3.03Å | ||
| 163 | S | 97.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.5 | -175.8 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | N192 D215 M216 E217 V218 | S163-N192 CarbonylContact C-O 3.51Å; S163-N192 WeakPolarHBondContact CA-O 3.38Å; S163-N192 WeakPolarHBondContact CB-O 3Å; S163-D215 PolarHBondContact OG-O 2.81Å; S163-M216 WeakPolarHBondContact OG-CA 3.09Å; S163-E217 PolarHBondContact OG-N 2.95Å; S163-V218 PolarHBondContact O-N 2.76Å |
| 164 | A | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F156 L166 M188 N192 V193 E194 V218 | F156-A164 HydrophobicContact CE1-CB 4.11Å; F156-A164 HydrophobicContact CZ-CB 3.74Å; A164-L166 HydrophobicContact CB-CD2 4.48Å; A164-M188 HydrophobicContact CB-CE 4.5Å; A164-N192 PolarHBondContact N-O 3.31Å; A164-V193 HydrophobicContact CB-CG2 4.34Å; A164-V193 WeakPolarHBondContact O-CA 3.35Å; A164-E194 PolarHBondContact O-N 2.94Å; A164-V218 CarbonylContact C-O 3.53Å; A164-V218 VanDerWaalsContact CA-O 3.27Å; A164-V218 WeakPolarHBondContact CA-O 3.38Å |
| 165 | L | 98.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.6 | 164 | 177.7 | 61 | 0 | 0 | 0 | 109.1 | L167 E194 E196 T209 F210 N213 M216 V218 V219 I220 | L165-L167 HydrophobicContact CD1-CD2 4.28Å; L165-L167 HydrophobicContact CD2-CD2 3.85Å; L165-L167 HydrophobicContact CG-CD2 3.81Å; L165-L167 HydrophobicContact CG-CG 4.38Å; L165-E194 HydrophobicContact CD1-CB 4.05Å; L165-E196 HydrophobicContact CD1-CB 4.4Å; L165-T209 HydrophobicContact CD2-CG2 4.01Å; L165-F210 HydrophobicContact CD2-CZ 4.42Å; L165-N213 HydrophobicContact CD1-CB 4.39Å; L165-N213 HydrophobicContact CD2-CB 3.9Å; L165-M216 HydrophobicContact CB-CB 4.14Å; L165-M216 HydrophobicContact CB-CG 4.07Å; L165-V218 PolarHBondContact N-O 3.4Å; L165-V219 HydrophobicContact CB-CG2 4.46Å; L165-V219 CarbonylContact O-C 3.57Å; L165-V219 WeakPolarHBondContact O-CA 3.39Å; L165-I220 PolarHBondContact O-N 3.26Å |
| 166 | L | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.7 | 175.5 | -52.2 | -173 | 0 | 0 | 0 | 109.4 | A164 I168 L181 V184 V193 E194 V195 E196 I220 | A164-L166 HydrophobicContact CB-CD2 4.48Å; L166-I168 HydrophobicContact CB-CG1 4.41Å; L166-L181 HydrophobicContact CB-CD1 4.35Å; L166-L181 HydrophobicContact CD1-CB 4.36Å; L166-V184 HydrophobicContact CD1-CG1 4.46Å; L166-V184 HydrophobicContact CD2-CG1 4.07Å; L166-V193 HydrophobicContact CD1-CG1 3.61Å; L166-V193 HydrophobicContact CD2-CG1 4.33Å; L166-V193 HydrophobicContact CG-CG1 3.68Å; L166-E194 PolarHBondContact N-O 3.47Å; L166-V195 HydrophobicContact CB-CG2 4.29Å; L166-V195 HydrophobicContact CD1-CG2 4.17Å; L166-V195 HydrophobicContact CG-CG2 4.48Å; L166-E196 PolarHBondContact O-N 2.93Å; L166-I220 WeakPolarHBondContact CA-O 3.44Å; L166-I220 HydrophobicContact CD2-CB 3.86Å; L166-I220 HydrophobicContact CD2-CD1 3.9Å; L166-I220 HydrophobicContact CD2-CG1 4.22Å |
| 167 | L | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 109.8 | 174.4 | -61 | -169.4 | 0 | 0 | 0 | 108.9 | L165 E196 I198 F204 T209 V219 I220 I221 C222 I231 | L165-L167 HydrophobicContact CD1-CD2 4.28Å; L165-L167 HydrophobicContact CD2-CD2 3.85Å; L165-L167 HydrophobicContact CG-CD2 3.81Å; L165-L167 HydrophobicContact CG-CG 4.38Å; L167-E196 HydrophobicContact CD2-CB 3.7Å; L167-E196 HydrophobicContact CD2-CG 4.25Å; L167-I198 HydrophobicContact CB-CD1 3.77Å; L167-F204 HydrophobicContact CD1-CE1 4.34Å; L167-F204 HydrophobicContact CD1-CE2 4.47Å; L167-F204 HydrophobicContact CD1-CZ 3.76Å; L167-F204 HydrophobicContact CD2-CE2 4.36Å; L167-F204 HydrophobicContact CD2-CZ 4.19Å; L167-T209 HydrophobicContact CD2-CG2 4.12Å; L167-V219 HydrophobicContact CD1-CG1 3.8Å; L167-V219 HydrophobicContact CG-CG1 3.94Å; L167-I220 PolarHBondContact N-O 2.83Å; L167-I221 HydrophobicContact CB-CB 4.49Å; L167-I221 HydrophobicContact CB-CG1 4.29Å; L167-I221 HydrophobicContact CB-CG2 4.29Å; L167-I221 HydrophobicContact CD1-CD1 4.42Å; L167-I221 HydrophobicContact CD1-CG1 4.13Å; L167-C222 PolarHBondContact O-N 3.07Å; L167-I231 HydrophobicContact CD1-CG2 4.19Å |
| 168 | I | 96.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115 | -170.2 | -54.3 | 180 | 0 | 0 | 0 | 110 | L166 D170 C177 L181 V195 E196 I197 I198 | L166-I168 HydrophobicContact CB-CG1 4.41Å; I168-D170 PolarHBondContact O-N 3.48Å; I168-C177 HydrophobicContact CG2-CB 4.43Å; I168-L181 HydrophobicContact CD1-CB 3.86Å; I168-L181 HydrophobicContact CG1-CB 3.91Å; I168-L181 HydrophobicContact CG1-CD1 3.67Å; I168-L181 HydrophobicContact CG1-CG 4.33Å; I168-V195 HydrophobicContact CD1-CG1 3.6Å; I168-V195 HydrophobicContact CG1-CG1 4.28Å; I168-E196 PolarHBondContact N-O 3.14Å; I168-I197 HydrophobicContact CB-CD1 3.96Å; I168-I197 HydrophobicContact CD1-CD1 4.19Å; I168-I197 HydrophobicContact CG2-CD1 4.32Å; I168-I198 PolarHBondContact O-N 3.25Å |
| 169 | E | 94.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 121 | 162.5 | -174 | 168 | -122.7 | 0 | 0 | 110.4 | C177 I198 C222 A223 G224 | E169-C177 WeakPolarHBondContact O-CB 3.35Å; E169-I198 WeakPolarHBondContact CA-O 3.46Å; E169-C222 PolarHBondContact N-O 3.43Å; E169-A223 HydrophobicContact CB-CB 3.61Å; E169-A223 HydrophobicContact CG-CB 4.46Å; E169-A223 WeakPolarHBondContact OE2-CA 3.37Å; E169-G224 PolarHBondContact OE2-N 3.11Å |
| 170 | D | 92.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 107.7 | -179.1 | -164.8 | -12.1 | 0 | 0 | 0 | 110.5 | I168 M172 R175 I197 I198 | I168-D170 PolarHBondContact O-N 3.48Å; D170-M172 PolarHBondContact O-N 3.32Å; D170-M172 WeakPolarHBondContact OD1-CA 3.49Å; D170-M172 PolarHBondContact OD1-N 3.16Å; D170-R175 WeakPolarHBondContact OD1-CG 3.32Å; D170-R175 IonicContact OD1-CZ 3.96Å; D170-R175 IonicContact OD1-NE 2.7Å; D170-R175 PolarHBondContact OD1-NE 3.01Å; D170-R175 IonicContact OD1-NH2 3.34Å; D170-R175 IonicContact OD2-CZ 3.87Å; D170-R175 IonicContact OD2-NE 2.9Å; D170-R175 PolarHBondContact OD2-NE 2.93Å; D170-R175 VanDerWaalsContact OD2-NE 3.15Å; D170-R175 IonicContact OD2-NH2 3.95Å; D170-R175 PolarHBondContact OD2-NH2 3.07Å; D170-I197 HydrophobicContact CB-CG2 3.82Å; D170-I198 PolarHBondContact N-O 2.92Å |
| 171 | D | 88.8 | Confident | 94.6 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | trans | -77.5 | -6.3 | 177.4 | 73.4 | -8.9 | 0 | 0 | 0 | 112.8 | K173 E174 R175 | D171-K173 WeakPolarHBondContact O-CG 3.32Å; D171-K173 PolarHBondContact O-N 2.93Å; D171-K173 PolarHBondContact OD1-N 3.31Å; D171-E174 PolarHBondContact OD1-N 2.91Å; D171-E174 VanDerWaalsContact OD1-N 3.12Å; D171-E174 PolarHBondContact OD2-N 3.01Å; D171-E174 VanDerWaalsContact OD2-N 3.13Å; D171-R175 WeakPolarHBondContact OD1-CA 3.41Å; D171-R175 WeakPolarHBondContact OD1-CG 3.49Å; D171-R175 PolarHBondContact OD1-N 2.89Å | ||
| 172 | M | 88.3 | Confident | 94.7 | Very high | 133 Ų | 133 | 35.8 Ų | 35.8 | 66% | 0.655 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 55 | 18.2 | -175.1 | -59.1 | -68.3 | -67.2 | 0 | 0 | 114 | D170 | D170-M172 PolarHBondContact O-N 3.32Å; D170-M172 WeakPolarHBondContact OD1-CA 3.49Å; D170-M172 PolarHBondContact OD1-N 3.16Å |
| 173 | K | 87.9 | Confident | 94.7 | Very high | 142 Ų | 142 | 29.8 Ų | 29.8 | 62% | 0.617 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -123.6 | -85.7 | -177.8 | -65.9 | 168.1 | -169.3 | 162.2 | 0 | 109.6 | Y102 D171 | Y102-K173 VanDerWaalsContact CE2-O 3.32Å; Y102-K173 WeakPolarHBondContact CE2-O 3.42Å; D171-K173 WeakPolarHBondContact O-CG 3.32Å; D171-K173 PolarHBondContact O-N 2.93Å; D171-K173 PolarHBondContact OD1-N 3.31Å |
| 174 | E | 89.3 | Confident | 94.7 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 15% | 0.154 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -80.6 | -35 | 179.9 | -55.2 | -55.2 | 164.4 | 0 | 0 | 111 | F39 R100 D171 D176 | F39-E174 HydrophobicContact CE1-CG 4.1Å; R100-E174 WeakPolarHBondContact CD-OE1 3.33Å; R100-E174 WeakPolarHBondContact CD-OE2 3.37Å; R100-E174 IonicContact CZ-OE1 2.76Å; R100-E174 IonicContact NH1-OE1 3.44Å; R100-E174 PolarHBondContact NH1-OE1 2.99Å; R100-E174 IonicContact NH1-OE2 3.39Å; D171-E174 PolarHBondContact OD1-N 2.91Å; D171-E174 VanDerWaalsContact OD1-N 3.12Å; D171-E174 PolarHBondContact OD2-N 3.01Å; D171-E174 VanDerWaalsContact OD2-N 3.13Å; E174-D176 PolarHBondContact O-N 3.3Å |
| 175 | R | 93.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | trans | 57.1 | 35.7 | 173.9 | -46.6 | -175.6 | 72.5 | -150.9 | -1.6 | 112.5 | Y102 D170 D171 C177 Y178 F179 | Y102-R175 WeakPolarHBondContact OH-CD 3.26Å; D170-R175 WeakPolarHBondContact OD1-CG 3.32Å; D170-R175 IonicContact OD1-CZ 3.96Å; D170-R175 IonicContact OD1-NE 2.7Å; D170-R175 PolarHBondContact OD1-NE 3.01Å; D170-R175 IonicContact OD1-NH2 3.34Å; D170-R175 IonicContact OD2-CZ 3.87Å; D170-R175 IonicContact OD2-NE 2.9Å; D170-R175 PolarHBondContact OD2-NE 2.93Å; D170-R175 VanDerWaalsContact OD2-NE 3.15Å; D170-R175 IonicContact OD2-NH2 3.95Å; D170-R175 PolarHBondContact OD2-NH2 3.07Å; D171-R175 WeakPolarHBondContact OD1-CA 3.41Å; D171-R175 WeakPolarHBondContact OD1-CG 3.49Å; D171-R175 PolarHBondContact OD1-N 2.89Å; R175-C177 VanDerWaalsContact C-N 3.31Å; R175-C177 PolarHBondContact O-N 2.82Å; R175-Y178 WeakPolarHBondContact O-CB 3.45Å; R175-Y178 PolarHBondContact O-N 2.89Å; R175-Y178 VanDerWaalsContact O-N 3.08Å; R175-F179 HydrophobicContact CB-CD2 4.16Å; R175-F179 HydrophobicContact CB-CE2 4Å; R175-F179 WeakPolarHBondContact O-CD2 3.27Å; R175-F179 PolarHBondContact O-N 3.4Å | ||
| 176 | D | 93.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 40 Ų | 40 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.7 | -47.6 | -178.7 | -67.5 | -34 | 0 | 0 | 0 | 111.6 | E174 F179 T180 L252 F253 Y258 | E174-D176 PolarHBondContact O-N 3.3Å; D176-F179 PolarHBondContact O-N 2.75Å; D176-T180 WeakPolarHBondContact O-CB 3.39Å; D176-T180 PolarHBondContact O-N 3.25Å; D176-T180 PolarHBondContact O-OG1 3.22Å; D176-L252 HydrophobicContact CB-CD1 4.12Å; D176-F253 HydrophobicContact CB-CZ 4.39Å; D176-Y258 PolarHBondContact OD2-OH 3.23Å |
| 177 | C | 95.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70 | -32.2 | 179.1 | -83.4 | 0 | 0 | 0 | 0 | 113.9 | I168 E169 R175 T180 L181 C222 A223 | I168-C177 HydrophobicContact CG2-CB 4.43Å; E169-C177 WeakPolarHBondContact O-CB 3.35Å; R175-C177 VanDerWaalsContact C-N 3.31Å; R175-C177 PolarHBondContact O-N 2.82Å; C177-T180 WeakPolarHBondContact O-CB 3.45Å; C177-L181 PolarHBondContact O-N 3.39Å; C177-L181 VanDerWaalsContact O-N 3.08Å; C177-C222 WeakPolarHBondContact CA-SG 3.33Å; C177-C222 HydrophobicContact CB-CB 3.52Å; C177-C222 WeakPolarHBondContact CB-O 3.47Å; C177-C222 WeakPolarHBondContact CB-SG 3.38Å; C177-C222 VanDerWaalsContact SG-CA 3.56Å; C177-C222 WeakPolarHBondContact SG-CB 3.24Å; C177-C222 PolarHBondContact SG-O 2.83Å; C177-C222 VanDerWaalsContact SG-O 3.33Å; C177-C222 CovalentContact SG-SG 2.05Å; C177-C222 PolarHBondContact SG-SG 2.75Å; C177-A223 PolarHBondContact SG-N 2.95Å; C177-A223 VanDerWaalsContact SG-N 3.38Å |
| 178 | Y | 96.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 28% | 0.275 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -51.9 | 171.6 | 175.1 | -86.6 | 0 | 0 | 0 | 110.6 | R175 T180 L181 E182 | R175-Y178 WeakPolarHBondContact O-CB 3.45Å; R175-Y178 PolarHBondContact O-N 2.89Å; R175-Y178 VanDerWaalsContact O-N 3.08Å; Y178-T180 VanDerWaalsContact C-N 3.29Å; Y178-T180 PolarHBondContact O-N 3.27Å; Y178-L181 PolarHBondContact O-N 2.9Å; Y178-E182 VanDerWaalsContact O-CB 3.24Å; Y178-E182 WeakPolarHBondContact O-CB 3.35Å; Y178-E182 PolarHBondContact O-N 3.08Å |
| 179 | F | 97.4 | Very high | 94 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -31.4 | -179.8 | -69.2 | -60.9 | 0 | 0 | 0 | 112.8 | E101 Y102 A125 Y145 R175 D176 G183 | E101-F179 HydrophobicContact CB-CD2 4.29Å; E101-F179 HydrophobicContact CB-CE2 3.89Å; E101-F179 HydrophobicContact CB-CZ 4.28Å; E101-F179 HydrophobicContact CG-CD2 3.65Å; E101-F179 HydrophobicContact CG-CE2 3.77Å; E101-F179 HydrophobicContact CG-CG 4.25Å; E101-F179 HydrophobicContact CG-CZ 4.47Å; Y102-F179 HydrophobicContact CE1-CZ 4.41Å; Y102-F179 HydrophobicContact CE2-CE2 4.27Å; Y102-F179 HydrophobicContact CE2-CZ 4.42Å; Y102-F179 AromaticContact CZ-CZ 3.96Å; A125-F179 HydrophobicContact CB-CB 4.33Å; A125-F179 HydrophobicContact CB-CD1 3.71Å; A125-F179 HydrophobicContact CB-CE1 4.17Å; A125-F179 HydrophobicContact CB-CG 4.05Å; Y145-F179 VanDerWaalsContact CD2-C 3.41Å; Y145-F179 HydrophobicContact CD2-CB 3.65Å; Y145-F179 WeakPolarHBondContact CD2-O 3.35Å; Y145-F179 HydrophobicContact CE2-CB 3.43Å; Y145-F179 VanDerWaalsContact CE2-CB 3.43Å; R175-F179 HydrophobicContact CB-CD2 4.16Å; R175-F179 HydrophobicContact CB-CE2 4Å; R175-F179 WeakPolarHBondContact O-CD2 3.27Å; R175-F179 PolarHBondContact O-N 3.4Å; D176-F179 PolarHBondContact O-N 2.75Å; F179-G183 PolarHBondContact O-N 2.84Å |
| 180 | T | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57 | -56.2 | 171.9 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | Y145 M148 D176 C177 Y178 G183 V250 L252 | Y145-T180 HydrophobicContact CD1-CG2 4.35Å; Y145-T180 WeakPolarHBondContact CD1-OG1 3.44Å; Y145-T180 WeakPolarHBondContact CE1-OG1 3.37Å; M148-T180 HydrophobicContact CE-CG2 3.43Å; M148-T180 VanDerWaalsContact CE-CG2 3.43Å; M148-T180 WeakPolarHBondContact CE-O 3.28Å; D176-T180 WeakPolarHBondContact O-CB 3.39Å; D176-T180 PolarHBondContact O-N 3.25Å; D176-T180 PolarHBondContact O-OG1 3.22Å; C177-T180 WeakPolarHBondContact O-CB 3.45Å; Y178-T180 VanDerWaalsContact C-N 3.29Å; Y178-T180 PolarHBondContact O-N 3.27Å; T180-G183 PolarHBondContact O-N 2.83Å; T180-V250 HydrophobicContact CG2-CB 4.41Å; T180-V250 HydrophobicContact CG2-CG1 4.28Å; T180-V250 HydrophobicContact CG2-CG2 4.44Å; T180-L252 HydrophobicContact CG2-CD2 3.28Å; T180-L252 WeakPolarHBondContact OG1-CD2 3.16Å |
| 181 | L | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -83.7 | -16.1 | -174.2 | -63.5 | -173.7 | 0 | 0 | 0 | 112.8 | L166 I168 C177 Y178 G183 V184 Y185 I220 C222 V250 | L166-L181 HydrophobicContact CB-CD1 4.35Å; L166-L181 HydrophobicContact CD1-CB 4.36Å; I168-L181 HydrophobicContact CD1-CB 3.86Å; I168-L181 HydrophobicContact CG1-CB 3.91Å; I168-L181 HydrophobicContact CG1-CD1 3.67Å; I168-L181 HydrophobicContact CG1-CG 4.33Å; C177-L181 PolarHBondContact O-N 3.39Å; C177-L181 VanDerWaalsContact O-N 3.08Å; Y178-L181 PolarHBondContact O-N 2.9Å; L181-G183 VanDerWaalsContact C-N 3.29Å; L181-G183 PolarHBondContact O-N 3.22Å; L181-V184 HydrophobicContact CD2-CG2 3.98Å; L181-V184 PolarHBondContact O-N 3.11Å; L181-Y185 WeakPolarHBondContact O-CB 3.38Å; L181-Y185 PolarHBondContact O-N 2.81Å; L181-I220 HydrophobicContact CD2-CG2 3.66Å; L181-C222 HydrophobicContact CD1-CB 3.63Å; L181-C222 HydrophobicContact CD2-CB 4.47Å; L181-C222 HydrophobicContact CG-CB 3.86Å; L181-V250 HydrophobicContact CD2-CG2 4.46Å |
| 182 | E | 96.6 | Very high | 94.5 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -43.5 | 163.5 | -179.7 | -163 | -111.3 | 0 | 0 | 110.8 | T126 Y178 V184 Y185 H186 | T126-E182 WeakPolarHBondContact CB-OE2 3.25Å; T126-E182 PolarHBondContact OG1-OE2 3.28Å; Y178-E182 VanDerWaalsContact O-CB 3.24Å; Y178-E182 WeakPolarHBondContact O-CB 3.35Å; Y178-E182 PolarHBondContact O-N 3.08Å; E182-V184 VanDerWaalsContact C-N 3.29Å; E182-V184 PolarHBondContact O-N 3.35Å; E182-Y185 PolarHBondContact O-N 3.33Å; E182-H186 PolarHBondContact O-CD2 2.97Å; E182-H186 PolarHBondContact O-N 3.45Å |
| 183 | G | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A149 F179 T180 L181 L187 | A149-G183 VanDerWaalsContact CB-C 3.43Å; A149-G183 VanDerWaalsContact CB-O 3.31Å; A149-G183 WeakPolarHBondContact CB-O 3.39Å; F179-G183 PolarHBondContact O-N 2.84Å; T180-G183 PolarHBondContact O-N 2.83Å; L181-G183 VanDerWaalsContact C-N 3.29Å; L181-G183 PolarHBondContact O-N 3.22Å; G183-L187 VanDerWaalsContact O-CB 3.29Å; G183-L187 WeakPolarHBondContact O-CB 3.29Å; G183-L187 PolarHBondContact O-N 3.49Å |
| 184 | V | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -50.6 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | M148 A149 F152 L166 L181 E182 H186 L187 M188 I220 | M148-V184 HydrophobicContact CE-CG2 3.71Å; M148-V184 HydrophobicContact SD-CG2 4.21Å; A149-V184 HydrophobicContact CB-CB 4.43Å; A149-V184 HydrophobicContact CB-CG2 3.98Å; F152-V184 HydrophobicContact CD2-CG2 4Å; L166-V184 HydrophobicContact CD1-CG1 4.46Å; L166-V184 HydrophobicContact CD2-CG1 4.07Å; L181-V184 HydrophobicContact CD2-CG2 3.98Å; L181-V184 PolarHBondContact O-N 3.11Å; E182-V184 VanDerWaalsContact C-N 3.29Å; E182-V184 PolarHBondContact O-N 3.35Å; V184-H186 VanDerWaalsContact C-N 3.34Å; V184-H186 PolarHBondContact O-N 2.76Å; V184-L187 PolarHBondContact O-N 2.96Å; V184-M188 HydrophobicContact CG1-CG 4.3Å; V184-M188 HydrophobicContact CG1-SD 3.43Å; V184-M188 WeakPolarHBondContact CG1-SD 3.48Å; V184-M188 VanDerWaalsContact O-CB 3.32Å; V184-M188 WeakPolarHBondContact O-CB 3.19Å; V184-M188 WeakPolarHBondContact O-CG 3.3Å; V184-M188 PolarHBondContact O-N 3.08Å; V184-I220 HydrophobicContact CG1-CD1 4.06Å |
| 185 | Y | 96.7 | Very high | 95.7 | Very high | 119 Ų | 119 | 48.1 Ų | 48.1 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55 | -46.6 | 179.9 | 179.4 | -99.6 | 0 | 0 | 0 | 112.4 | L181 E182 V193 V195 | L181-Y185 WeakPolarHBondContact O-CB 3.38Å; L181-Y185 PolarHBondContact O-N 2.81Å; E182-Y185 PolarHBondContact O-N 3.33Å; Y185-V193 HydrophobicContact CD2-CB 4.49Å; Y185-V193 HydrophobicContact CD2-CG1 3.99Å; Y185-V195 HydrophobicContact CD2-CG2 3.89Å; Y185-V195 HydrophobicContact CE2-CG2 4.19Å |
| 186 | H | 94 | Very high | 95.8 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 47% | 0.468 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -73.3 | -30.5 | -179.6 | -75.7 | -46 | 0 | 0 | 0 | 114.3 | E182 V184 | E182-H186 PolarHBondContact O-CD2 2.97Å; E182-H186 PolarHBondContact O-N 3.45Å; V184-H186 VanDerWaalsContact C-N 3.34Å; V184-H186 PolarHBondContact O-N 2.76Å |
| 187 | L | 94.5 | Very high | 95.9 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -83.5 | -21 | -178.4 | -169.4 | 65.6 | 0 | 0 | 0 | 113.1 | A149 E150 K153 G183 V184 | A149-L187 HydrophobicContact CB-CB 4.12Å; A149-L187 HydrophobicContact CB-CD2 3.7Å; E150-L187 HydrophobicContact CB-CD2 4.22Å; E150-L187 HydrophobicContact CG-CD2 3.7Å; E150-L187 VanDerWaalsContact N-CD2 3.3Å; K153-L187 HydrophobicContact CB-CD2 4.16Å; K153-L187 HydrophobicContact CD-CD1 4.4Å; K153-L187 HydrophobicContact CD-CD2 4.27Å; K153-L187 HydrophobicContact CD-CG 3.93Å; K153-L187 PolarHBondContact NZ-O 3.39Å; G183-L187 VanDerWaalsContact O-CB 3.29Å; G183-L187 WeakPolarHBondContact O-CB 3.29Å; G183-L187 PolarHBondContact O-N 3.49Å; V184-L187 PolarHBondContact O-N 2.96Å |
| 188 | M | 94.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 32.8 | -177.8 | -64.3 | -176.4 | 59.2 | 0 | 0 | 112.8 | F152 F156 A164 V184 D190 Y191 V193 | F152-M188 HydrophobicContact CB-SD 4.28Å; F156-M188 HydrophobicContact CB-CE 4.47Å; F156-M188 HydrophobicContact CD1-CE 3.38Å; F156-M188 HydrophobicContact CD2-CE 3.74Å; F156-M188 HydrophobicContact CD2-SD 4.5Å; F156-M188 HydrophobicContact CE1-CE 3.35Å; F156-M188 HydrophobicContact CE2-CE 3.7Å; F156-M188 HydrophobicContact CE2-SD 4.45Å; F156-M188 HydrophobicContact CG-CE 3.59Å; F156-M188 HydrophobicContact CZ-CE 3.51Å; A164-M188 HydrophobicContact CB-CE 4.5Å; V184-M188 HydrophobicContact CG1-CG 4.3Å; V184-M188 HydrophobicContact CG1-SD 3.43Å; V184-M188 WeakPolarHBondContact CG1-SD 3.48Å; V184-M188 VanDerWaalsContact O-CB 3.32Å; V184-M188 WeakPolarHBondContact O-CB 3.19Å; V184-M188 WeakPolarHBondContact O-CG 3.3Å; V184-M188 PolarHBondContact O-N 3.08Å; M188-D190 PolarHBondContact O-N 3.38Å; M188-Y191 HydrophobicContact CB-CD2 3.91Å; M188-Y191 HydrophobicContact CE-CD2 4.02Å; M188-Y191 HydrophobicContact CE-CG 3.98Å; M188-Y191 HydrophobicContact CG-CD2 4.26Å; M188-Y191 WeakPolarHBondContact O-CB 3.38Å; M188-Y191 PolarHBondContact O-N 2.05Å; M188-V193 HydrophobicContact CB-CG2 4.02Å; M188-V193 HydrophobicContact CE-CG2 4.49Å |
| 189 | D | 92.6 | Very high | 95.1 | Very high | 123 Ų | 123 | 52.4 Ų | 52.4 | 66% | 0.658 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.7 | 177 | 62.7 | -20.7 | 0 | 0 | 0 | 114.1 | Y191 | D189-Y191 PolarHBondContact O-N 3.31Š|
| 190 | D | 94.1 | Very high | 94.1 | Very high | 131 Ų | 131 | 57 Ų | 57 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -5.9 | 173 | -66.7 | -43.1 | 0 | 0 | 0 | 114.2 | M188 | M188-D190 PolarHBondContact O-N 3.38Š|
| 191 | Y | 96.3 | Very high | 93.2 | Very high | 42 Ų | 42 | 65.9 Ų | 65.9 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -113 | 160.7 | -176.2 | -64.3 | -90.5 | 0 | 0 | 0 | 112.2 | F156 E157 W161 M188 D189 V193 | F156-Y191 HydrophobicContact CB-CE1 3.83Å; F156-Y191 AromaticContact CD1-CD1 3.7Å; F156-Y191 HydrophobicContact CD1-CD1 3.7Å; F156-Y191 AromaticContact CD1-CE1 3.8Å; F156-Y191 HydrophobicContact CD1-CE1 3.8Å; F156-Y191 HydrophobicContact CD1-CG 4.29Å; F156-Y191 HydrophobicContact CE1-CD1 4.47Å; F156-Y191 HydrophobicContact CG-CE1 4.29Å; E157-Y191 WeakPolarHBondContact CG-OH 3.37Å; W161-Y191 WeakPolarHBondContact O-CE1 3.28Å; M188-Y191 HydrophobicContact CB-CD2 3.91Å; M188-Y191 HydrophobicContact CE-CD2 4.02Å; M188-Y191 HydrophobicContact CE-CG 3.98Å; M188-Y191 HydrophobicContact CG-CD2 4.26Å; M188-Y191 WeakPolarHBondContact O-CB 3.38Å; M188-Y191 PolarHBondContact O-N 2.05Å; D189-Y191 PolarHBondContact O-N 3.31Å; Y191-V193 PolarHBondContact O-N 3.33Å |
| 192 | N | 96.8 | Very high | 92.4 | Very high | 79 Ų | 79 | 67.8 Ų | 67.8 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 98.1 | 173.1 | -176.5 | 33.4 | 0 | 0 | 0 | 110.1 | K162 S163 A164 M216 | K162-N192 PolarHBondContact O-N 2.91Å; K162-N192 VanDerWaalsContact O-N 3.13Å; S163-N192 CarbonylContact C-O 3.51Å; S163-N192 WeakPolarHBondContact CA-O 3.38Å; S163-N192 WeakPolarHBondContact CB-O 3Å; A164-N192 PolarHBondContact N-O 3.31Å; N192-M216 VanDerWaalsContact ND2-CE 3.33Å; N192-M216 WeakPolarHBondContact ND2-CE 3.09Å |
| 193 | V | 97.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.4 | -176 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | A164 L166 Y185 M188 Y191 | A164-V193 HydrophobicContact CB-CG2 4.34Å; A164-V193 WeakPolarHBondContact O-CA 3.35Å; L166-V193 HydrophobicContact CD1-CG1 3.61Å; L166-V193 HydrophobicContact CD2-CG1 4.33Å; L166-V193 HydrophobicContact CG-CG1 3.68Å; Y185-V193 HydrophobicContact CD2-CB 4.49Å; Y185-V193 HydrophobicContact CD2-CG1 3.99Å; M188-V193 HydrophobicContact CB-CG2 4.02Å; M188-V193 HydrophobicContact CE-CG2 4.49Å; Y191-V193 PolarHBondContact O-N 3.33Å |
| 194 | E | 96.9 | Very high | 91.3 | Very high | 91 Ų | 91 | 73.3 Ų | 73.3 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 152.1 | 171.8 | -69.7 | -64.1 | 163.4 | 0 | 0 | 110.6 | A164 L165 L166 M216 | A164-E194 PolarHBondContact O-N 2.94Å; L165-E194 HydrophobicContact CD1-CB 4.05Å; L166-E194 PolarHBondContact N-O 3.47Å; E194-M216 HydrophobicContact CB-CE 4.21Å; E194-M216 HydrophobicContact CB-SD 4.5Å; E194-M216 HydrophobicContact CG-CE 3.44Å; E194-M216 VanDerWaalsContact CG-CE 3.44Å; E194-M216 HydrophobicContact CG-SD 4.28Å |
| 195 | V | 96.5 | Very high | 90.9 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.7 | -175.9 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | L166 I168 Y185 I197 | L166-V195 HydrophobicContact CB-CG2 4.29Å; L166-V195 HydrophobicContact CD1-CG2 4.17Å; L166-V195 HydrophobicContact CG-CG2 4.48Å; I168-V195 HydrophobicContact CD1-CG1 3.6Å; I168-V195 HydrophobicContact CG1-CG1 4.28Å; Y185-V195 HydrophobicContact CD2-CG2 3.89Å; Y185-V195 HydrophobicContact CE2-CG2 4.19Å; V195-I197 HydrophobicContact CG1-CD1 4.14Å |
| 196 | E | 95.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.2 | 171.9 | -175.4 | 82.9 | 142.9 | 0 | 0 | 109.5 | L165 L166 L167 I168 F204 T209 | L165-E196 HydrophobicContact CD1-CB 4.4Å; L166-E196 PolarHBondContact O-N 2.93Å; L167-E196 HydrophobicContact CD2-CB 3.7Å; L167-E196 HydrophobicContact CD2-CG 4.25Å; I168-E196 PolarHBondContact N-O 3.14Å; E196-F204 HydrophobicContact CG-CE2 4.48Å; E196-T209 HydrophobicContact CB-CG2 4.34Å; E196-T209 HydrophobicContact CG-CG2 4Å; E196-T209 PolarHBondContact OE1-OG1 2.75Å |
| 197 | I | 94.3 | Very high | 90.4 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 30% | 0.297 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.8 | 175.4 | -55.5 | -56.7 | 0 | 0 | 0 | 109.6 | I168 D170 V195 | I168-I197 HydrophobicContact CB-CD1 3.96Å; I168-I197 HydrophobicContact CD1-CD1 4.19Å; I168-I197 HydrophobicContact CG2-CD1 4.32Å; D170-I197 HydrophobicContact CB-CG2 3.82Å; V195-I197 HydrophobicContact CG1-CD1 4.14Å |
| 198 | I | 91.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 111.6 | 173 | -56.7 | 164 | 0 | 0 | 0 | 107.6 | L167 I168 E169 D170 F204 I231 | L167-I198 HydrophobicContact CB-CD1 3.77Å; I168-I198 PolarHBondContact O-N 3.25Å; E169-I198 WeakPolarHBondContact CA-O 3.46Å; D170-I198 PolarHBondContact N-O 2.92Å; I198-F204 HydrophobicContact CD1-CD2 4.39Å; I198-F204 HydrophobicContact CD1-CE2 4.4Å; I198-F204 HydrophobicContact CG1-CD2 3.93Å; I198-F204 HydrophobicContact CG1-CE2 4.07Å; I198-I231 HydrophobicContact CD1-CD1 3.61Å |
| 199 | H | 85.9 | Confident | 90.2 | Very high | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 130.2 | 173.2 | -61.8 | -62.3 | 0 | 0 | 0 | 110.2 | Q201 A202 | H199-Q201 PolarHBondContact O-N 3.46Å; H199-A202 HydrophobicContact CB-CB 3.95Å; H199-A202 PolarHBondContact O-N 3.46Å |
| 200 | E | 74.9 | Confident | 90.1 | Very high | 115 Ų | 115 | 70.7 Ų | 70.7 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -36.7 | -176.8 | -170.6 | -176.6 | -169.6 | 0 | 0 | 113 | ||
| 201 | Q | 78.1 | Confident | 90 | Very high | 186 Ų | 186 | 71.6 Ų | 71.6 | 87% | 0.869 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -4.1 | -175.7 | -60.5 | -178.3 | 1 | 0 | 0 | 114.3 | H199 | H199-Q201 PolarHBondContact O-N 3.46Š|
| 202 | A | 81.9 | Confident | 89.8 | Confident | 41 Ų | 41 | 75 Ų | 75 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -101 | 141.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H199 F204 R227 | H199-A202 HydrophobicContact CB-CB 3.95Å; H199-A202 PolarHBondContact O-N 3.46Å; A202-F204 PolarHBondContact O-N 2.95Å; A202-R227 PolarHBondContact O-NH2 2.91Å |
| 203 | P | 80.9 | Confident | 89.6 | Confident | 121 Ų | 121 | 72 Ų | 72 | 79% | 0.786 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 137.7 | 169.7 | 27.2 | -32.9 | 0 | 0 | 0 | 110.1 | N205 | P203-N205 PolarHBondContact O-N 3.24Š|
| 204 | F | 86.9 | Confident | 89.2 | Confident | 33 Ų | 33 | 76 Ų | 76 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 120 | 176.3 | 179.6 | -119 | 0 | 0 | 0 | 110.4 | L167 E196 I198 A202 I206 T209 I231 | L167-F204 HydrophobicContact CD1-CE1 4.34Å; L167-F204 HydrophobicContact CD1-CE2 4.47Å; L167-F204 HydrophobicContact CD1-CZ 3.76Å; L167-F204 HydrophobicContact CD2-CE2 4.36Å; L167-F204 HydrophobicContact CD2-CZ 4.19Å; E196-F204 HydrophobicContact CG-CE2 4.48Å; I198-F204 HydrophobicContact CD1-CD2 4.39Å; I198-F204 HydrophobicContact CD1-CE2 4.4Å; I198-F204 HydrophobicContact CG1-CD2 3.93Å; I198-F204 HydrophobicContact CG1-CE2 4.07Å; A202-F204 PolarHBondContact O-N 2.95Å; F204-I206 HydrophobicContact CD1-CB 4.28Å; F204-I206 HydrophobicContact CD1-CD1 4.28Å; F204-I206 HydrophobicContact CE1-CB 4.16Å; F204-I206 HydrophobicContact CE1-CD1 3.51Å; F204-I206 HydrophobicContact CE1-CG1 4.45Å; F204-I206 HydrophobicContact CZ-CD1 4.37Å; F204-I206 PolarHBondContact O-N 3.05Å; F204-I206 VanDerWaalsContact O-N 3.15Å; F204-T209 HydrophobicContact CE2-CG2 4.19Å; F204-T209 HydrophobicContact CZ-CG2 3.98Å; F204-I231 HydrophobicContact CD1-CB 4.45Å; F204-I231 HydrophobicContact CD1-CG1 3.73Å; F204-I231 HydrophobicContact CD1-CG2 4.37Å; F204-I231 HydrophobicContact CE1-CB 4.49Å; F204-I231 HydrophobicContact CE1-CG1 4.04Å; F204-I231 HydrophobicContact CE1-CG2 3.93Å; F204-I231 HydrophobicContact CG-CG1 4.25Å |
| 205 | N | 89.2 | Confident | 88.9 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | trans | -87.7 | 77.6 | -180 | -169.6 | -5.5 | 0 | 0 | 0 | 111.4 | P203 E207 E208 T209 | P203-N205 PolarHBondContact O-N 3.24Å; N205-E207 PolarHBondContact O-N 3.37Å; N205-E207 VanDerWaalsContact O-N 3.14Å; N205-E207 PolarHBondContact OD1-N 2.91Å; N205-E208 HydrophobicContact CB-CB 4.29Å; N205-E208 VanDerWaalsContact ND2-CB 3.3Å; N205-E208 WeakPolarHBondContact ND2-CB 3.3Å; N205-E208 PolarHBondContact ND2-OE2 3.06Å; N205-E208 PolarHBondContact O-N 3.05Å; N205-E208 PolarHBondContact OD1-N 3.43Å; N205-T209 PolarHBondContact O-N 2.99Å; N205-T209 PolarHBondContact O-OG1 2.64Å; N205-T209 VanDerWaalsContact O-OG1 3.09Å | ||
| 206 | I | 91.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 7% | 0.067 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -51.4 | -38.3 | 180 | -169.2 | 74 | 0 | 0 | 0 | 112.9 | F204 F210 A234 A235 Q238 L240 | F204-I206 HydrophobicContact CD1-CB 4.28Å; F204-I206 HydrophobicContact CD1-CD1 4.28Å; F204-I206 HydrophobicContact CE1-CB 4.16Å; F204-I206 HydrophobicContact CE1-CD1 3.51Å; F204-I206 HydrophobicContact CE1-CG1 4.45Å; F204-I206 HydrophobicContact CZ-CD1 4.37Å; F204-I206 PolarHBondContact O-N 3.05Å; F204-I206 VanDerWaalsContact O-N 3.15Å; I206-F210 HydrophobicContact CD1-CD2 3.39Å; I206-F210 HydrophobicContact CD1-CE2 3.29Å; I206-F210 HydrophobicContact CD1-CG 4.48Å; I206-F210 HydrophobicContact CD1-CZ 4.33Å; I206-F210 HydrophobicContact CG1-CD2 3.98Å; I206-F210 HydrophobicContact CG1-CE2 4.36Å; I206-F210 WeakPolarHBondContact O-CB 3.47Å; I206-F210 WeakPolarHBondContact O-CD2 3.38Å; I206-F210 PolarHBondContact O-N 3.11Å; I206-A234 HydrophobicContact CB-CB 4.07Å; I206-A234 HydrophobicContact CG1-CB 4.26Å; I206-A234 HydrophobicContact CG2-CB 4.01Å; I206-A235 HydrophobicContact CD1-CB 4.14Å; I206-Q238 HydrophobicContact CG1-CG 4.45Å; I206-Q238 HydrophobicContact CG2-CG 3.96Å; I206-L240 HydrophobicContact CD1-CD1 4.26Å; I206-L240 HydrophobicContact CG1-CD1 4.12Å |
| 207 | E | 89.4 | Confident | 88.8 | Confident | 122 Ų | 122 | 75.9 Ų | 75.9 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.8 | -46.4 | -174.7 | -68.5 | -175 | -176.4 | 0 | 0 | 111.4 | N205 K211 Q238 | N205-E207 PolarHBondContact O-N 3.37Å; N205-E207 VanDerWaalsContact O-N 3.14Å; N205-E207 PolarHBondContact OD1-N 2.91Å; E207-K211 WeakPolarHBondContact O-CB 3.5Å; E207-K211 PolarHBondContact O-N 2.84Å; E207-Q238 VanDerWaalsContact CG-NE2 3.34Å; E207-Q238 PolarHBondContact OE1-NE2 3.29Å |
| 208 | E | 90.9 | Very high | 88.9 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.2 | -47 | 178.5 | -177 | 169 | -160.4 | 0 | 0 | 111.6 | N205 F210 K211 N212 | N205-E208 HydrophobicContact CB-CB 4.29Å; N205-E208 VanDerWaalsContact ND2-CB 3.3Å; N205-E208 WeakPolarHBondContact ND2-CB 3.3Å; N205-E208 PolarHBondContact ND2-OE2 3.06Å; N205-E208 PolarHBondContact O-N 3.05Å; N205-E208 PolarHBondContact OD1-N 3.43Å; E208-F210 PolarHBondContact O-N 3Å; E208-K211 PolarHBondContact O-N 2.95Å; E208-N212 PolarHBondContact O-N 3Å; E208-N212 PolarHBondContact O-ND2 2.9Å |
| 209 | T | 92.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 179.9 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | L165 L167 E196 F204 N205 N212 N213 | L165-T209 HydrophobicContact CD2-CG2 4.01Å; L167-T209 HydrophobicContact CD2-CG2 4.12Å; E196-T209 HydrophobicContact CB-CG2 4.34Å; E196-T209 HydrophobicContact CG-CG2 4Å; E196-T209 PolarHBondContact OE1-OG1 2.75Å; F204-T209 HydrophobicContact CE2-CG2 4.19Å; F204-T209 HydrophobicContact CZ-CG2 3.98Å; N205-T209 PolarHBondContact O-N 2.99Å; N205-T209 PolarHBondContact O-OG1 2.64Å; N205-T209 VanDerWaalsContact O-OG1 3.09Å; T209-N212 PolarHBondContact O-N 2.93Å; T209-N213 WeakPolarHBondContact O-CB 3.32Å; T209-N213 PolarHBondContact O-N 2.95Å; T209-N213 VanDerWaalsContact O-N 3.1Å; T209-N213 PolarHBondContact O-ND2 3.21Å |
| 210 | F | 91.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.044 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -80.4 | -21.1 | -178.7 | -80 | -95.8 | 0 | 0 | 0 | 114.2 | L165 I206 E208 N212 N213 Q214 V219 L240 Y245 F247 | L165-F210 HydrophobicContact CD2-CZ 4.42Å; I206-F210 HydrophobicContact CD1-CD2 3.39Å; I206-F210 HydrophobicContact CD1-CE2 3.29Å; I206-F210 HydrophobicContact CD1-CG 4.48Å; I206-F210 HydrophobicContact CD1-CZ 4.33Å; I206-F210 HydrophobicContact CG1-CD2 3.98Å; I206-F210 HydrophobicContact CG1-CE2 4.36Å; I206-F210 WeakPolarHBondContact O-CB 3.47Å; I206-F210 WeakPolarHBondContact O-CD2 3.38Å; I206-F210 PolarHBondContact O-N 3.11Å; E208-F210 PolarHBondContact O-N 3Å; F210-N212 VanDerWaalsContact C-N 3.35Å; F210-N213 CarbonylContact O-C 3.59Å; F210-Q214 WeakPolarHBondContact O-CG 3.25Å; F210-Q214 PolarHBondContact O-N 2.85Å; F210-V219 HydrophobicContact CE1-CG2 3.83Å; F210-V219 HydrophobicContact CZ-CG1 4.25Å; F210-V219 HydrophobicContact CZ-CG2 3.88Å; F210-L240 HydrophobicContact CB-CD1 3.98Å; F210-L240 HydrophobicContact CD1-CD1 3.7Å; F210-L240 HydrophobicContact CD2-CD1 3.94Å; F210-L240 HydrophobicContact CE1-CD1 4.15Å; F210-L240 HydrophobicContact CE2-CD1 4.37Å; F210-L240 HydrophobicContact CG-CD1 3.57Å; F210-L240 HydrophobicContact CZ-CD1 4.46Å; F210-Y245 HydrophobicContact CD1-CD2 4.27Å; F210-Y245 AromaticContact CD1-CE1 3.92Å; F210-Y245 HydrophobicContact CD1-CE1 3.92Å; F210-Y245 AromaticContact CD1-CE2 3.61Å; F210-Y245 HydrophobicContact CD1-CE2 3.61Å; F210-Y245 AromaticContact CD1-CZ 3.43Å; F210-Y245 VanDerWaalsContact CD1-CZ 3.43Å; F210-Y245 HydrophobicContact CE1-CD1 4.01Å; F210-Y245 HydrophobicContact CE1-CD2 4.07Å; F210-Y245 AromaticContact CE1-CE1 3.81Å; F210-Y245 HydrophobicContact CE1-CE1 3.81Å; F210-Y245 AromaticContact CE1-CE2 3.86Å; F210-Y245 HydrophobicContact CE1-CE2 3.86Å; F210-Y245 HydrophobicContact CE1-CG 4.13Å; F210-Y245 AromaticContact CE1-CZ 3.75Å; F210-F247 HydrophobicContact CE1-CE1 4.39Å; F210-F247 HydrophobicContact CE1-CZ 4.24Å; F210-F247 AromaticContact CZ-CE1 3.86Å; F210-F247 HydrophobicContact CZ-CE1 3.86Å; F210-F247 HydrophobicContact CZ-CZ 4.1Å |
| 211 | K | 91.1 | Very high | 90.9 | Very high | 151 Ų | 151 | 62.2 Ų | 62.2 | 66% | 0.657 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.3 | -36.8 | 169 | 178.4 | -176.2 | 175.9 | -169.8 | 0 | 111.8 | E207 E208 | E207-K211 WeakPolarHBondContact O-CB 3.5Å; E207-K211 PolarHBondContact O-N 2.84Å; E208-K211 PolarHBondContact O-N 2.95Å |
| 212 | N | 92 | Very high | 91.8 | Very high | 112 Ų | 112 | 53.4 Ų | 53.4 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -80.2 | -23.9 | 177.6 | -65.3 | -19.1 | 0 | 0 | 0 | 112.2 | E208 T209 F210 | E208-N212 PolarHBondContact O-N 3Å; E208-N212 PolarHBondContact O-ND2 2.9Å; T209-N212 PolarHBondContact O-N 2.93Å; F210-N212 VanDerWaalsContact C-N 3.35Å |
| 213 | N | 92.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | trans | -115.5 | 43.9 | -175.1 | -64.8 | -70.6 | 0 | 0 | 0 | 112.8 | L165 T209 F210 D215 M216 Y245 | L165-N213 HydrophobicContact CD1-CB 4.39Å; L165-N213 HydrophobicContact CD2-CB 3.9Å; T209-N213 WeakPolarHBondContact O-CB 3.32Å; T209-N213 PolarHBondContact O-N 2.95Å; T209-N213 VanDerWaalsContact O-N 3.1Å; T209-N213 PolarHBondContact O-ND2 3.21Å; F210-N213 CarbonylContact O-C 3.59Å; N213-D215 VanDerWaalsContact C-N 3.29Å; N213-D215 PolarHBondContact O-N 3.42Å; N213-M216 HydrophobicContact CB-CG 3.84Å; N213-M216 PolarHBondContact O-N 3.38Å; N213-Y245 PolarHBondContact O-OH 2.93Å | ||
| 214 | Q | 88.9 | Confident | 93 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -25.8 | -177.5 | -73.7 | -171.7 | -15.2 | 0 | 0 | 113.9 | F210 M216 Y245 R422 | F210-Q214 WeakPolarHBondContact O-CG 3.25Å; F210-Q214 PolarHBondContact O-N 2.85Å; Q214-M216 VanDerWaalsContact C-N 3.34Å; Q214-Y245 WeakPolarHBondContact CA-OH 3.07Å; Q214-R422 PolarHBondContact O-NH1 3.3Å |
| 215 | D | 89.9 | Confident | 93.3 | Very high | 139 Ų | 139 | 45.7 Ų | 45.7 | 74% | 0.743 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 5.3 | -175.8 | -58.7 | -35 | 0 | 0 | 0 | 112.9 | S163 N213 | S163-D215 PolarHBondContact OG-O 2.81Å; N213-D215 VanDerWaalsContact C-N 3.29Å; N213-D215 PolarHBondContact O-N 3.42Å |
| 216 | M | 95.1 | Very high | 93.5 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -81.6 | 136.2 | 177.2 | -58.5 | -59.7 | 146.5 | 0 | 0 | 110.5 | S163 L165 N192 E194 N213 Q214 Y245 | S163-M216 WeakPolarHBondContact OG-CA 3.09Å; L165-M216 HydrophobicContact CB-CB 4.14Å; L165-M216 HydrophobicContact CB-CG 4.07Å; N192-M216 VanDerWaalsContact ND2-CE 3.33Å; N192-M216 WeakPolarHBondContact ND2-CE 3.09Å; E194-M216 HydrophobicContact CB-CE 4.21Å; E194-M216 HydrophobicContact CB-SD 4.5Å; E194-M216 HydrophobicContact CG-CE 3.44Å; E194-M216 VanDerWaalsContact CG-CE 3.44Å; E194-M216 HydrophobicContact CG-SD 4.28Å; N213-M216 HydrophobicContact CB-CG 3.84Å; N213-M216 PolarHBondContact O-N 3.38Å; Q214-M216 VanDerWaalsContact C-N 3.34Å; M216-Y245 HydrophobicContact CB-CE1 4.28Å; M216-Y245 WeakPolarHBondContact O-CD1 3.47Å; M216-Y245 WeakPolarHBondContact O-CE1 3.22Å | ||
| 217 | E | 95.4 | Very high | 93.6 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 27% | 0.271 | 24% | 0.239 | S | C | . | . | trans | -93.1 | -44.9 | -178.1 | -78.3 | -177.7 | 151.9 | 0 | 0 | 111.5 | W161 K162 S163 M246 L419 | W161-E217 WeakPolarHBondContact CA-OE2 3.29Å; K162-E217 PolarHBondContact N-OE2 3.03Å; S163-E217 PolarHBondContact OG-N 2.95Å; E217-M246 PolarHBondContact O-N 3.33Å; E217-L419 HydrophobicContact CB-CD1 3.51Å; E217-L419 HydrophobicContact CG-CD1 3.55Å | ||
| 218 | V | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140.5 | -175.6 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | F156 W161 S163 A164 L165 I220 M246 F248 | F156-V218 HydrophobicContact CE1-CB 4.47Å; F156-V218 HydrophobicContact CE1-CG2 4.2Å; F156-V218 HydrophobicContact CE2-CB 4.22Å; F156-V218 HydrophobicContact CE2-CG1 4.04Å; F156-V218 HydrophobicContact CE2-CG2 4.08Å; F156-V218 HydrophobicContact CZ-CB 3.62Å; F156-V218 HydrophobicContact CZ-CG1 3.9Å; F156-V218 HydrophobicContact CZ-CG2 3.61Å; W161-V218 HydrophobicContact CB-CG2 4Å; W161-V218 HydrophobicContact CD2-CG2 3.54Å; W161-V218 HydrophobicContact CE3-CG2 3.63Å; W161-V218 HydrophobicContact CG-CG2 3.72Å; W161-V218 HydrophobicContact CZ3-CG2 4.34Å; S163-V218 PolarHBondContact O-N 2.76Å; A164-V218 CarbonylContact C-O 3.53Å; A164-V218 VanDerWaalsContact CA-O 3.27Å; A164-V218 WeakPolarHBondContact CA-O 3.38Å; L165-V218 PolarHBondContact N-O 3.4Å; V218-I220 HydrophobicContact CG1-CD1 4.49Å; V218-I220 HydrophobicContact CG1-CG1 3.94Å; V218-M246 CarbonylContact C-O 3.58Å; V218-M246 WeakPolarHBondContact CA-O 3.17Å; V218-M246 HydrophobicContact CG2-CB 4.34Å; V218-F248 HydrophobicContact CG1-CD2 3.53Å; V218-F248 HydrophobicContact CG1-CE2 3.67Å |
| 219 | V | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.7 | 174 | -176 | 0 | 0 | 0 | 0 | 107.9 | L165 L167 F210 I221 Y245 M246 F247 F248 | L165-V219 HydrophobicContact CB-CG2 4.46Å; L165-V219 CarbonylContact O-C 3.57Å; L165-V219 WeakPolarHBondContact O-CA 3.39Å; L167-V219 HydrophobicContact CD1-CG1 3.8Å; L167-V219 HydrophobicContact CG-CG1 3.94Å; F210-V219 HydrophobicContact CE1-CG2 3.83Å; F210-V219 HydrophobicContact CZ-CG1 4.25Å; F210-V219 HydrophobicContact CZ-CG2 3.88Å; V219-I221 HydrophobicContact CG1-CG1 4.07Å; V219-Y245 HydrophobicContact CG2-CD1 3.77Å; V219-Y245 HydrophobicContact CG2-CE1 4.46Å; V219-Y245 HydrophobicContact CG2-CG 4.28Å; V219-M246 PolarHBondContact N-O 2.89Å; V219-F247 HydrophobicContact CB-CD1 3.74Å; V219-F247 HydrophobicContact CB-CE1 3.93Å; V219-F247 HydrophobicContact CB-CG 4.49Å; V219-F247 HydrophobicContact CG1-CD1 3.97Å; V219-F247 HydrophobicContact CG1-CE1 4.02Å; V219-F247 HydrophobicContact CG2-CD1 4.25Å; V219-F247 HydrophobicContact CG2-CE1 3.98Å; V219-F247 HydrophobicContact CG2-CZ 4.46Å; V219-F247 CarbonylContact O-C 3.59Å; V219-F248 PolarHBondContact O-N 3.5Å |
| 220 | I | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.9 | 179.3 | -52 | 174.1 | 0 | 0 | 0 | 108.2 | F152 F156 L165 L166 L167 L181 V184 V218 F248 V250 | F152-I220 HydrophobicContact CD1-CD1 3.54Å; F152-I220 HydrophobicContact CD1-CG1 4.26Å; F152-I220 HydrophobicContact CD2-CD1 4.4Å; F152-I220 HydrophobicContact CE1-CD1 3.63Å; F152-I220 HydrophobicContact CE1-CG1 3.87Å; F152-I220 HydrophobicContact CE1-CG2 4.12Å; F152-I220 HydrophobicContact CE2-CD1 4.45Å; F152-I220 HydrophobicContact CE2-CG2 4.03Å; F152-I220 HydrophobicContact CG-CD1 3.96Å; F152-I220 HydrophobicContact CZ-CD1 4.1Å; F152-I220 HydrophobicContact CZ-CG1 4.26Å; F152-I220 HydrophobicContact CZ-CG2 3.62Å; F156-I220 HydrophobicContact CE2-CD1 4.5Å; L165-I220 PolarHBondContact O-N 3.26Å; L166-I220 WeakPolarHBondContact CA-O 3.44Å; L166-I220 HydrophobicContact CD2-CB 3.86Å; L166-I220 HydrophobicContact CD2-CD1 3.9Å; L166-I220 HydrophobicContact CD2-CG1 4.22Å; L167-I220 PolarHBondContact N-O 2.83Å; L181-I220 HydrophobicContact CD2-CG2 3.66Å; V184-I220 HydrophobicContact CG1-CD1 4.06Å; V218-I220 HydrophobicContact CG1-CD1 4.49Å; V218-I220 HydrophobicContact CG1-CG1 3.94Å; I220-F248 HydrophobicContact CG1-CB 4.46Å; I220-V250 HydrophobicContact CG2-CG2 4.19Å |
| 221 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128 | -174.9 | -46.9 | 178.1 | 0 | 0 | 0 | 109 | L167 V219 A223 I228 I231 M232 F247 F248 N249 V250 | L167-I221 HydrophobicContact CB-CB 4.49Å; L167-I221 HydrophobicContact CB-CG1 4.29Å; L167-I221 HydrophobicContact CB-CG2 4.29Å; L167-I221 HydrophobicContact CD1-CD1 4.42Å; L167-I221 HydrophobicContact CD1-CG1 4.13Å; V219-I221 HydrophobicContact CG1-CG1 4.07Å; I221-A223 HydrophobicContact CG2-CB 4.4Å; I221-I228 HydrophobicContact CG2-CG1 3.99Å; I221-I231 HydrophobicContact CD1-CG2 3.82Å; I221-I231 HydrophobicContact CG2-CD1 3.97Å; I221-M232 HydrophobicContact CD1-SD 4.22Å; I221-F247 HydrophobicContact CD1-CD1 4.22Å; I221-F248 PolarHBondContact N-O 3.37Å; I221-N249 HydrophobicContact CB-CB 4.45Å; I221-N249 WeakPolarHBondContact O-CA 3.36Å; I221-V250 PolarHBondContact O-N 3.41Å |
| 222 | C | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114 | 161 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | L167 E169 C177 L181 | L167-C222 PolarHBondContact O-N 3.07Å; E169-C222 PolarHBondContact N-O 3.43Å; C177-C222 WeakPolarHBondContact CA-SG 3.33Å; C177-C222 HydrophobicContact CB-CB 3.52Å; C177-C222 WeakPolarHBondContact CB-O 3.47Å; C177-C222 WeakPolarHBondContact CB-SG 3.38Å; C177-C222 VanDerWaalsContact SG-CA 3.56Å; C177-C222 WeakPolarHBondContact SG-CB 3.24Å; C177-C222 PolarHBondContact SG-O 2.83Å; C177-C222 VanDerWaalsContact SG-O 3.33Å; C177-C222 CovalentContact SG-SG 2.05Å; C177-C222 PolarHBondContact SG-SG 2.75Å; L181-C222 HydrophobicContact CD1-CB 3.63Å; L181-C222 HydrophobicContact CD2-CB 4.47Å; L181-C222 HydrophobicContact CG-CB 3.86Å |
| 223 | A | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -160.4 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | E169 C177 I221 R227 I228 | E169-A223 HydrophobicContact CB-CB 3.61Å; E169-A223 HydrophobicContact CG-CB 4.46Å; E169-A223 WeakPolarHBondContact OE2-CA 3.37Å; C177-A223 PolarHBondContact SG-N 2.95Å; C177-A223 VanDerWaalsContact SG-N 3.38Å; I221-A223 HydrophobicContact CG2-CB 4.4Å; A223-R227 HydrophobicContact CB-CB 3.9Å; A223-R227 HydrophobicContact CB-CG 3.86Å; A223-I228 HydrophobicContact CB-CG1 4.15Å; A223-I228 VanDerWaalsContact O-CD1 3.25Å; A223-I228 WeakPolarHBondContact O-CD1 3.49Å |
| 224 | G | 92.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | trans | -58 | 151.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E169 D226 R227 I228 S257 | E169-G224 PolarHBondContact OE2-N 3.11Å; G224-D226 VanDerWaalsContact C-N 3.27Å; G224-D226 PolarHBondContact O-N 2.85Å; G224-R227 WeakPolarHBondContact O-CA 2.93Å; G224-R227 WeakPolarHBondContact O-CB 3.44Å; G224-R227 PolarHBondContact O-N 3.31Å; G224-I228 PolarHBondContact O-N 2.9Å; G224-S257 CarbonylContact C-O 3.5Å; G224-S257 WeakPolarHBondContact CA-O 3.44Å | ||
| 225 | A | 93.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.4 | -39.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | R229 S256 S257 | A225-R229 PolarHBondContact O-N 3.02Å; A225-S256 WeakPolarHBondContact CB-O 3.38Å; A225-S257 PolarHBondContact N-O 2.68Å |
| 226 | D | 92.9 | Very high | 95.8 | Very high | 97 Ų | 97 | 22.1 Ų | 22.1 | 52% | 0.519 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -71.4 | -35.9 | 178.4 | -64.2 | -25.4 | 0 | 0 | 0 | 111.2 | G224 R229 E230 R265 | G224-D226 VanDerWaalsContact C-N 3.27Å; G224-D226 PolarHBondContact O-N 2.85Å; D226-R229 WeakPolarHBondContact O-CB 3.48Å; D226-R229 PolarHBondContact O-N 3.26Å; D226-E230 WeakPolarHBondContact O-CG 3.27Å; D226-E230 PolarHBondContact O-N 2.73Å; D226-R265 IonicContact OD1-CZ 2.75Å; D226-R265 VanDerWaalsContact OD1-CZ 3.29Å; D226-R265 IonicContact OD1-NE 2.73Å; D226-R265 PolarHBondContact OD1-NE 2.83Å; D226-R265 IonicContact OD1-NH2 3.72Å; D226-R265 PolarHBondContact OD1-NH2 2.97Å |
| 227 | R | 93.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 175.6 | -171 | 53.3 | 167.5 | -166.7 | -12.1 | 112.1 | A202 A223 G224 R229 E230 I231 | A202-R227 PolarHBondContact O-NH2 2.91Å; A223-R227 HydrophobicContact CB-CB 3.9Å; A223-R227 HydrophobicContact CB-CG 3.86Å; G224-R227 WeakPolarHBondContact O-CA 2.93Å; G224-R227 WeakPolarHBondContact O-CB 3.44Å; G224-R227 PolarHBondContact O-N 3.31Å; R227-R229 VanDerWaalsContact C-N 3.3Å; R227-R229 PolarHBondContact O-N 3.02Å; R227-E230 WeakPolarHBondContact CD-OE2 3.37Å; R227-E230 IonicContact CZ-OE2 3.48Å; R227-E230 IonicContact NE-OE2 3.15Å; R227-E230 IonicContact NH1-OE2 3.35Å; R227-E230 PolarHBondContact NH1-OE2 2.76Å; R227-E230 PolarHBondContact O-N 3.33Å; R227-I231 HydrophobicContact CG-CD1 4.29Å; R227-I231 WeakPolarHBondContact O-CD1 3.48Å; R227-I231 VanDerWaalsContact O-CG1 3.27Å; R227-I231 WeakPolarHBondContact O-CG1 3.33Å; R227-I231 PolarHBondContact O-N 2.72Å |
| 228 | I | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 170.7 | -66.4 | 163.5 | 0 | 0 | 0 | 110 | I221 A223 G224 E230 I231 M232 N249 Y258 L280 | I221-I228 HydrophobicContact CG2-CG1 3.99Å; A223-I228 HydrophobicContact CB-CG1 4.15Å; A223-I228 VanDerWaalsContact O-CD1 3.25Å; A223-I228 WeakPolarHBondContact O-CD1 3.49Å; G224-I228 PolarHBondContact O-N 2.9Å; I228-E230 PolarHBondContact O-N 2.79Å; I228-I231 PolarHBondContact O-N 2.8Å; I228-M232 HydrophobicContact CG2-CG 4.35Å; I228-M232 WeakPolarHBondContact O-CG 3.23Å; I228-M232 PolarHBondContact O-N 3.46Å; I228-N249 HydrophobicContact CD1-CB 3.83Å; I228-N249 HydrophobicContact CG1-CB 4.43Å; I228-N249 HydrophobicContact CG2-CB 4.3Å; I228-Y258 VanDerWaalsContact CD1-O 3.25Å; I228-Y258 WeakPolarHBondContact CD1-O 3.32Å; I228-L280 HydrophobicContact CG2-CD2 3.89Å |
| 229 | R | 96.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 178.9 | -171.1 | 179.3 | -179.6 | -93.9 | 3.9 | 112.1 | A225 D226 R227 I231 M232 L233 W263 D267 D270 Y277 | A225-R229 PolarHBondContact O-N 3.02Å; D226-R229 WeakPolarHBondContact O-CB 3.48Å; D226-R229 PolarHBondContact O-N 3.26Å; R227-R229 VanDerWaalsContact C-N 3.3Å; R227-R229 PolarHBondContact O-N 3.02Å; R229-I231 VanDerWaalsContact C-N 3.35Å; R229-I231 PolarHBondContact O-N 3.09Å; R229-M232 PolarHBondContact O-N 3.13Å; R229-L233 HydrophobicContact CG-CD1 4.17Å; R229-L233 WeakPolarHBondContact O-CB 3.46Å; R229-L233 WeakPolarHBondContact O-CG 3.4Å; R229-L233 PolarHBondContact O-N 3.26Å; R229-W263 PolarHBondContact NE-O 3.13Å; R229-D267 IonicContact CZ-OD1 2.91Å; R229-D267 IonicContact CZ-OD2 3.45Å; R229-D267 VanDerWaalsContact CZ-OD2 3.25Å; R229-D267 IonicContact NH1-OD1 3.65Å; R229-D267 IonicContact NH1-OD2 2.75Å; R229-D267 PolarHBondContact NH1-OD2 3.41Å; R229-D267 IonicContact NH2-OD1 3.73Å; R229-D267 PolarHBondContact NH2-OD1 3.09Å; R229-D267 IonicContact NH2-OD2 3.95Å; R229-D267 PolarHBondContact NH2-OD2 3.1Å; R229-D270 IonicContact NH2-OD1 2.74Å; R229-D270 PolarHBondContact NH2-OD1 3.25Å; R229-D270 VanDerWaalsContact NH2-OD1 3.14Å; R229-Y277 VanDerWaalsContact CA-OH 3.28Å; R229-Y277 WeakPolarHBondContact CA-OH 3.31Å; R229-Y277 HydrophobicContact CB-CE2 4.39Å; R229-Y277 VanDerWaalsContact CB-OH 3.31Å; R229-Y277 WeakPolarHBondContact CB-OH 3.13Å; R229-Y277 HydrophobicContact CG-CE2 4.18Å; R229-Y277 PolarHBondContact N-OH 3Å |
| 230 | E | 95.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 49% | 0.486 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 175.8 | -72.9 | 175 | -179 | 0 | 0 | 112 | D226 R227 I228 L233 A234 | D226-E230 WeakPolarHBondContact O-CG 3.27Å; D226-E230 PolarHBondContact O-N 2.73Å; R227-E230 WeakPolarHBondContact CD-OE2 3.37Å; R227-E230 IonicContact CZ-OE2 3.48Å; R227-E230 IonicContact NE-OE2 3.15Å; R227-E230 IonicContact NH1-OE2 3.35Å; R227-E230 PolarHBondContact NH1-OE2 2.76Å; R227-E230 PolarHBondContact O-N 3.33Å; I228-E230 PolarHBondContact O-N 2.79Å; E230-L233 PolarHBondContact O-N 3.22Å; E230-A234 WeakPolarHBondContact O-CB 3.33Å; E230-A234 PolarHBondContact O-N 3.15Å |
| 231 | I | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 178.3 | -67.2 | 162.6 | 0 | 0 | 0 | 110.6 | L167 I198 F204 I221 R227 I228 R229 A234 A235 | L167-I231 HydrophobicContact CD1-CG2 4.19Å; I198-I231 HydrophobicContact CD1-CD1 3.61Å; F204-I231 HydrophobicContact CD1-CB 4.45Å; F204-I231 HydrophobicContact CD1-CG1 3.73Å; F204-I231 HydrophobicContact CD1-CG2 4.37Å; F204-I231 HydrophobicContact CE1-CB 4.49Å; F204-I231 HydrophobicContact CE1-CG1 4.04Å; F204-I231 HydrophobicContact CE1-CG2 3.93Å; F204-I231 HydrophobicContact CG-CG1 4.25Å; I221-I231 HydrophobicContact CD1-CG2 3.82Å; I221-I231 HydrophobicContact CG2-CD1 3.97Å; R227-I231 HydrophobicContact CG-CD1 4.29Å; R227-I231 WeakPolarHBondContact O-CD1 3.48Å; R227-I231 VanDerWaalsContact O-CG1 3.27Å; R227-I231 WeakPolarHBondContact O-CG1 3.33Å; R227-I231 PolarHBondContact O-N 2.72Å; I228-I231 PolarHBondContact O-N 2.8Å; R229-I231 VanDerWaalsContact C-N 3.35Å; R229-I231 PolarHBondContact O-N 3.09Å; I231-A234 PolarHBondContact O-N 2.81Å; I231-A235 VanDerWaalsContact O-CB 3.31Å; I231-A235 WeakPolarHBondContact O-CB 3.35Å; I231-A235 PolarHBondContact O-N 3.41Å |
| 232 | M | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | -179.3 | -69.6 | -51.2 | -57.1 | 0 | 0 | 112.5 | I221 I228 R229 A235 H236 T241 F247 A276 Y277 S279 L280 | I221-M232 HydrophobicContact CD1-SD 4.22Å; I228-M232 HydrophobicContact CG2-CG 4.35Å; I228-M232 WeakPolarHBondContact O-CG 3.23Å; I228-M232 PolarHBondContact O-N 3.46Å; R229-M232 PolarHBondContact O-N 3.13Å; M232-A235 PolarHBondContact O-N 3.36Å; M232-H236 WeakPolarHBondContact O-CB 3.48Å; M232-H236 PolarHBondContact O-N 2.85Å; M232-T241 HydrophobicContact CE-CG2 3.74Å; M232-F247 HydrophobicContact CE-CB 4.14Å; M232-F247 HydrophobicContact CE-CD1 4.29Å; M232-F247 HydrophobicContact CE-CD2 4.08Å; M232-F247 HydrophobicContact CE-CG 3.91Å; M232-F247 HydrophobicContact SD-CB 4.1Å; M232-F247 HydrophobicContact SD-CD1 3.78Å; M232-F247 HydrophobicContact SD-CE1 4.36Å; M232-F247 HydrophobicContact SD-CG 3.92Å; M232-A276 HydrophobicContact CB-CB 4.1Å; M232-A276 WeakPolarHBondContact CE-O 3.41Å; M232-A276 WeakPolarHBondContact O-CB 3.39Å; M232-Y277 HydrophobicContact CB-CD2 4.15Å; M232-Y277 HydrophobicContact CB-CE2 3.92Å; M232-Y277 HydrophobicContact CG-CD2 4.42Å; M232-Y277 HydrophobicContact CG-CE2 4.17Å; M232-S279 WeakPolarHBondContact CE-OG 3.41Å; M232-L280 HydrophobicContact CE-CB 4.04Å; M232-L280 HydrophobicContact CG-CD2 4.16Å; M232-L280 HydrophobicContact SD-CB 4.37Å; M232-L280 HydrophobicContact SD-CD1 4.05Å |
| 233 | L | 96.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.2 | -76.8 | 172 | 0 | 0 | 0 | 111.5 | R229 E230 H236 K237 F269 D272 A273 | R229-L233 HydrophobicContact CG-CD1 4.17Å; R229-L233 WeakPolarHBondContact O-CB 3.46Å; R229-L233 WeakPolarHBondContact O-CG 3.4Å; R229-L233 PolarHBondContact O-N 3.26Å; E230-L233 PolarHBondContact O-N 3.22Å; L233-H236 PolarHBondContact O-N 2.67Å; L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 2.81Å; L233-F269 HydrophobicContact CD1-CB 3.97Å; L233-F269 HydrophobicContact CD1-CG 4.46Å; L233-F269 HydrophobicContact CD2-CB 4.12Å; L233-D272 HydrophobicContact CD2-CB 3.76Å; L233-A273 HydrophobicContact CD2-CB 3.97Å; L233-A273 HydrophobicContact CG-CB 4.47Å |
| 234 | A | 95.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 46 Ų | 46 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I206 E230 I231 K237 Q238 | I206-A234 HydrophobicContact CB-CB 4.07Å; I206-A234 HydrophobicContact CG1-CB 4.26Å; I206-A234 HydrophobicContact CG2-CB 4.01Å; E230-A234 WeakPolarHBondContact O-CB 3.33Å; E230-A234 PolarHBondContact O-N 3.15Å; I231-A234 PolarHBondContact O-N 2.81Å; A234-K237 PolarHBondContact O-N 3.49Å; A234-Q238 WeakPolarHBondContact O-CG 3.37Å; A234-Q238 PolarHBondContact O-N 2.77Å |
| 235 | A | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I206 I231 M232 Q238 Q239 L240 T241 F247 | I206-A235 HydrophobicContact CD1-CB 4.14Å; I231-A235 VanDerWaalsContact O-CB 3.31Å; I231-A235 WeakPolarHBondContact O-CB 3.35Å; I231-A235 PolarHBondContact O-N 3.41Å; M232-A235 PolarHBondContact O-N 3.36Å; A235-Q238 CarbonylContact O-C 3.47Å; A235-Q238 PolarHBondContact O-N 3.44Å; A235-Q239 PolarHBondContact O-N 3.09Å; A235-L240 HydrophobicContact CB-CB 4.2Å; A235-L240 HydrophobicContact CB-CD1 4.33Å; A235-L240 WeakPolarHBondContact O-CB 3.2Å; A235-L240 PolarHBondContact O-N 3.38Å; A235-T241 HydrophobicContact CB-CG2 4.1Å; A235-F247 HydrophobicContact CB-CE1 4.39Å; A235-F247 HydrophobicContact CB-CZ 4.05Å |
| 236 | H | 96.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 22% | 0.222 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 177.5 | -176.2 | 61.7 | 0 | 0 | 0 | 112.1 | M232 L233 Q238 Q239 T241 A276 | M232-H236 WeakPolarHBondContact O-CB 3.48Å; M232-H236 PolarHBondContact O-N 2.85Å; L233-H236 PolarHBondContact O-N 2.67Å; H236-Q238 PolarHBondContact O-N 2.82Å; H236-Q239 WeakPolarHBondContact O-CA 3.48Å; H236-Q239 PolarHBondContact O-N 3.16Å; H236-T241 WeakPolarHBondContact CA-OG1 3.14Å; H236-T241 HydrophobicContact CB-CG2 4.13Å; H236-T241 PolarHBondContact ND1-OG1 2.69Å; H236-A276 HydrophobicContact CB-CB 3.65Å |
| 237 | K | 95.3 | Very high | 94.8 | Very high | 173 Ų | 173 | 40.3 Ų | 40.3 | 75% | 0.752 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -58.1 | -33.7 | 174 | -173.5 | 177.4 | -179.8 | 179 | 0 | 112.6 | L233 A234 Q239 | L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 2.81Å; A234-K237 PolarHBondContact O-N 3.49Å; K237-Q239 VanDerWaalsContact C-N 3.3Å |
| 238 | Q | 94.1 | Very high | 95 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8.2 | 175.9 | -62.6 | -66.1 | -13.8 | 0 | 0 | 113.6 | I206 E207 A234 A235 H236 L240 | I206-Q238 HydrophobicContact CG1-CG 4.45Å; I206-Q238 HydrophobicContact CG2-CG 3.96Å; E207-Q238 VanDerWaalsContact CG-NE2 3.34Å; E207-Q238 PolarHBondContact OE1-NE2 3.29Å; A234-Q238 WeakPolarHBondContact O-CG 3.37Å; A234-Q238 PolarHBondContact O-N 2.77Å; A235-Q238 CarbonylContact O-C 3.47Å; A235-Q238 PolarHBondContact O-N 3.44Å; H236-Q238 PolarHBondContact O-N 2.82Å; Q238-L240 HydrophobicContact CB-CD1 4.04Å; Q238-L240 HydrophobicContact CB-CG 3.92Å; Q238-L240 PolarHBondContact O-N 3.06Å |
| 239 | Q | 93.9 | Very high | 95 | Very high | 147 Ų | 147 | 38.9 Ų | 38.9 | 69% | 0.687 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 29.6 | 179.7 | -54.2 | 174.6 | 17.3 | 0 | 0 | 114.1 | A235 H236 K237 N242 | A235-Q239 PolarHBondContact O-N 3.09Å; H236-Q239 WeakPolarHBondContact O-CA 3.48Å; H236-Q239 PolarHBondContact O-N 3.16Å; K237-Q239 VanDerWaalsContact C-N 3.3Å; Q239-N242 PolarHBondContact O-ND2 3.25Å; Q239-N242 PolarHBondContact O-OD1 2.74Å |
| 240 | L | 94.4 | Very high | 95 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -17.1 | 178.8 | -54.8 | 174.6 | 0 | 0 | 0 | 112.4 | I206 F210 A235 Q238 N242 S244 Y245 F247 | I206-L240 HydrophobicContact CD1-CD1 4.26Å; I206-L240 HydrophobicContact CG1-CD1 4.12Å; F210-L240 HydrophobicContact CB-CD1 3.98Å; F210-L240 HydrophobicContact CD1-CD1 3.7Å; F210-L240 HydrophobicContact CD2-CD1 3.94Å; F210-L240 HydrophobicContact CE1-CD1 4.15Å; F210-L240 HydrophobicContact CE2-CD1 4.37Å; F210-L240 HydrophobicContact CG-CD1 3.57Å; F210-L240 HydrophobicContact CZ-CD1 4.46Å; A235-L240 HydrophobicContact CB-CB 4.2Å; A235-L240 HydrophobicContact CB-CD1 4.33Å; A235-L240 WeakPolarHBondContact O-CB 3.2Å; A235-L240 PolarHBondContact O-N 3.38Å; Q238-L240 HydrophobicContact CB-CD1 4.04Å; Q238-L240 HydrophobicContact CB-CG 3.92Å; Q238-L240 PolarHBondContact O-N 3.06Å; L240-N242 VanDerWaalsContact C-N 3.28Å; L240-N242 PolarHBondContact O-N 2.82Å; L240-S244 PolarHBondContact O-OG 3.39Å; L240-Y245 HydrophobicContact CB-CD2 4.2Å; L240-Y245 HydrophobicContact CD2-CD2 4.37Å; L240-Y245 HydrophobicContact CD2-CE2 3.89Å; L240-F247 HydrophobicContact CB-CZ 4.31Å |
| 241 | T | 94.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 16.8 | -178.2 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | M232 A235 H236 G243 F247 A276 S279 | M232-T241 HydrophobicContact CE-CG2 3.74Å; A235-T241 HydrophobicContact CB-CG2 4.1Å; H236-T241 WeakPolarHBondContact CA-OG1 3.14Å; H236-T241 HydrophobicContact CB-CG2 4.13Å; H236-T241 PolarHBondContact ND1-OG1 2.69Å; T241-G243 VanDerWaalsContact C-N 3.29Å; T241-G243 PolarHBondContact O-N 3.08Å; T241-F247 HydrophobicContact CG2-CE2 4.24Å; T241-A276 HydrophobicContact CG2-CB 4.49Å; T241-S279 WeakPolarHBondContact CB-OG 3.32Å; T241-S279 VanDerWaalsContact CG2-OG 3.24Å; T241-S279 WeakPolarHBondContact CG2-OG 3.41Å |
| 242 | N | 90.7 | Very high | 93.8 | Very high | 99 Ų | 99 | 34 Ų | 34 | 53% | 0.529 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 15.9 | 179.8 | 64.6 | 6.1 | 0 | 0 | 0 | 114.3 | Q239 L240 S244 T420 | Q239-N242 PolarHBondContact O-ND2 3.25Å; Q239-N242 PolarHBondContact O-OD1 2.74Å; L240-N242 VanDerWaalsContact C-N 3.28Å; L240-N242 PolarHBondContact O-N 2.82Å; N242-S244 VanDerWaalsContact OD1-CB 3.22Å; N242-S244 WeakPolarHBondContact OD1-CB 3.45Å; N242-S244 PolarHBondContact OD1-N 3.14Å; N242-S244 VanDerWaalsContact OD1-N 3.09Å; N242-S244 PolarHBondContact OD1-OG 3.23Å; N242-T420 PolarHBondContact O-OG1 2.79Å |
| 243 | G | 89.5 | Confident | 93.1 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 6.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T241 T420 | T241-G243 VanDerWaalsContact C-N 3.29Å; T241-G243 PolarHBondContact O-N 3.08Å; G243-T420 PolarHBondContact O-N 3.44Å |
| 244 | S | 90.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.8 | 171.1 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | L240 N242 | L240-S244 PolarHBondContact O-OG 3.39Å; N242-S244 VanDerWaalsContact OD1-CB 3.22Å; N242-S244 WeakPolarHBondContact OD1-CB 3.45Å; N242-S244 PolarHBondContact OD1-N 3.14Å; N242-S244 VanDerWaalsContact OD1-N 3.09Å; N242-S244 PolarHBondContact OD1-OG 3.23Å |
| 245 | Y | 94.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -134.4 | 150.8 | 171 | -69.6 | -87 | 0 | 0 | 0 | 109.5 | F210 N213 Q214 M216 V219 L240 F247 R422 | F210-Y245 HydrophobicContact CD1-CD2 4.27Å; F210-Y245 AromaticContact CD1-CE1 3.92Å; F210-Y245 HydrophobicContact CD1-CE1 3.92Å; F210-Y245 AromaticContact CD1-CE2 3.61Å; F210-Y245 HydrophobicContact CD1-CE2 3.61Å; F210-Y245 AromaticContact CD1-CZ 3.43Å; F210-Y245 VanDerWaalsContact CD1-CZ 3.43Å; F210-Y245 HydrophobicContact CE1-CD1 4.01Å; F210-Y245 HydrophobicContact CE1-CD2 4.07Å; F210-Y245 AromaticContact CE1-CE1 3.81Å; F210-Y245 HydrophobicContact CE1-CE1 3.81Å; F210-Y245 AromaticContact CE1-CE2 3.86Å; F210-Y245 HydrophobicContact CE1-CE2 3.86Å; F210-Y245 HydrophobicContact CE1-CG 4.13Å; F210-Y245 AromaticContact CE1-CZ 3.75Å; N213-Y245 PolarHBondContact O-OH 2.93Å; Q214-Y245 WeakPolarHBondContact CA-OH 3.07Å; M216-Y245 HydrophobicContact CB-CE1 4.28Å; M216-Y245 WeakPolarHBondContact O-CD1 3.47Å; M216-Y245 WeakPolarHBondContact O-CE1 3.22Å; V219-Y245 HydrophobicContact CG2-CD1 3.77Å; V219-Y245 HydrophobicContact CG2-CE1 4.46Å; V219-Y245 HydrophobicContact CG2-CG 4.28Å; L240-Y245 HydrophobicContact CB-CD2 4.2Å; L240-Y245 HydrophobicContact CD2-CD2 4.37Å; L240-Y245 HydrophobicContact CD2-CE2 3.89Å; Y245-F247 HydrophobicContact CG-CZ 4.47Å; Y245-R422 PolarHBondContact OH-NH2 2.65Å |
| 246 | M | 95.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.2 | 168.1 | -165.3 | 60.2 | 50.2 | 0 | 0 | 109.7 | W161 E217 V218 V219 F248 N281 H416 F417 L419 | W161-M246 HydrophobicContact CH2-CG 4.41Å; W161-M246 HydrophobicContact CZ2-CG 4.15Å; E217-M246 PolarHBondContact O-N 3.33Å; V218-M246 CarbonylContact C-O 3.58Å; V218-M246 WeakPolarHBondContact CA-O 3.17Å; V218-M246 HydrophobicContact CG2-CB 4.34Å; V219-M246 PolarHBondContact N-O 2.89Å; M246-F248 HydrophobicContact CB-CE2 4.03Å; M246-F248 HydrophobicContact CG-CD2 4.11Å; M246-F248 HydrophobicContact CG-CE2 3.24Å; M246-F248 HydrophobicContact CG-CZ 3.67Å; M246-N281 PolarHBondContact SD-ND2 2.93Å; M246-H416 VanDerWaalsContact CE-O 3.23Å; M246-H416 WeakPolarHBondContact CE-O 3.25Å; M246-F417 HydrophobicContact SD-CD1 4.09Å; M246-L419 HydrophobicContact CB-CD2 4.21Å; M246-L419 HydrophobicContact CE-CD2 4.46Å |
| 247 | F | 97.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.1 | 179.6 | -68 | -90.7 | 0 | 0 | 0 | 110.9 | F210 V219 I221 M232 A235 L240 T241 Y245 L280 N281 | F210-F247 HydrophobicContact CE1-CE1 4.39Å; F210-F247 HydrophobicContact CE1-CZ 4.24Å; F210-F247 AromaticContact CZ-CE1 3.86Å; F210-F247 HydrophobicContact CZ-CE1 3.86Å; F210-F247 HydrophobicContact CZ-CZ 4.1Å; V219-F247 HydrophobicContact CB-CD1 3.74Å; V219-F247 HydrophobicContact CB-CE1 3.93Å; V219-F247 HydrophobicContact CB-CG 4.49Å; V219-F247 HydrophobicContact CG1-CD1 3.97Å; V219-F247 HydrophobicContact CG1-CE1 4.02Å; V219-F247 HydrophobicContact CG2-CD1 4.25Å; V219-F247 HydrophobicContact CG2-CE1 3.98Å; V219-F247 HydrophobicContact CG2-CZ 4.46Å; V219-F247 CarbonylContact O-C 3.59Å; I221-F247 HydrophobicContact CD1-CD1 4.22Å; M232-F247 HydrophobicContact CE-CB 4.14Å; M232-F247 HydrophobicContact CE-CD1 4.29Å; M232-F247 HydrophobicContact CE-CD2 4.08Å; M232-F247 HydrophobicContact CE-CG 3.91Å; M232-F247 HydrophobicContact SD-CB 4.1Å; M232-F247 HydrophobicContact SD-CD1 3.78Å; M232-F247 HydrophobicContact SD-CE1 4.36Å; M232-F247 HydrophobicContact SD-CG 3.92Å; A235-F247 HydrophobicContact CB-CE1 4.39Å; A235-F247 HydrophobicContact CB-CZ 4.05Å; L240-F247 HydrophobicContact CB-CZ 4.31Å; T241-F247 HydrophobicContact CG2-CE2 4.24Å; Y245-F247 HydrophobicContact CG-CZ 4.47Å; F247-L280 HydrophobicContact CB-CD1 3.87Å; F247-N281 PolarHBondContact O-N 3Å; F247-N281 PolarHBondContact O-ND2 2.94Å |
| 248 | F | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.5 | 169.4 | -66 | -93.2 | 0 | 0 | 0 | 110.2 | F152 M155 W161 V218 V219 I220 I221 M246 N281 V283 L382 | F152-F248 HydrophobicContact CE1-CB 3.88Å; F152-F248 HydrophobicContact CE1-CD1 4.02Å; F152-F248 HydrophobicContact CE1-CD2 4.28Å; F152-F248 AromaticContact CE1-CG 3.81Å; F152-F248 HydrophobicContact CE1-CG 3.81Å; F152-F248 HydrophobicContact CZ-CB 4.06Å; F152-F248 HydrophobicContact CZ-CG 4.42Å; M155-F248 HydrophobicContact CE-CD1 4.4Å; M155-F248 HydrophobicContact CE-CE1 4.03Å; M155-F248 HydrophobicContact CE-CZ 4.47Å; M155-F248 HydrophobicContact SD-CE1 4.14Å; M155-F248 HydrophobicContact SD-CZ 4.49Å; W161-F248 AromaticContact CH2-CE2 3.88Å; W161-F248 HydrophobicContact CH2-CE2 3.88Å; W161-F248 AromaticContact CH2-CZ 3.54Å; W161-F248 HydrophobicContact CH2-CZ 3.54Å; W161-F248 HydrophobicContact CZ2-CZ 4.47Å; W161-F248 AromaticContact CZ3-CE2 3.99Å; W161-F248 HydrophobicContact CZ3-CE2 3.99Å; W161-F248 AromaticContact CZ3-CZ 3.91Å; W161-F248 HydrophobicContact CZ3-CZ 3.91Å; V218-F248 HydrophobicContact CG1-CD2 3.53Å; V218-F248 HydrophobicContact CG1-CE2 3.67Å; V219-F248 PolarHBondContact O-N 3.5Å; I220-F248 HydrophobicContact CG1-CB 4.46Å; I221-F248 PolarHBondContact N-O 3.37Å; M246-F248 HydrophobicContact CB-CE2 4.03Å; M246-F248 HydrophobicContact CG-CD2 4.11Å; M246-F248 HydrophobicContact CG-CE2 3.24Å; M246-F248 HydrophobicContact CG-CZ 3.67Å; F248-N281 CarbonylContact C-O 3.58Å; F248-N281 WeakPolarHBondContact CA-O 3.49Å; F248-N281 HydrophobicContact CD1-CB 3.76Å; F248-N281 HydrophobicContact CE1-CB 3.74Å; F248-V283 HydrophobicContact CD1-CG2 4.2Å; F248-L382 HydrophobicContact CD1-CD1 3.76Å; F248-L382 HydrophobicContact CE1-CD1 3.57Å; F248-L382 HydrophobicContact CE1-CD2 4.05Å; F248-L382 HydrophobicContact CE1-CG 4.46Å |
| 249 | N | 97.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 162.3 | 155.9 | 80.3 | -67.3 | 0 | 0 | 0 | 111.1 | I221 I228 Y258 G259 L280 N281 T282 V283 | I221-N249 HydrophobicContact CB-CB 4.45Å; I221-N249 WeakPolarHBondContact O-CA 3.36Å; I228-N249 HydrophobicContact CD1-CB 3.83Å; I228-N249 HydrophobicContact CG1-CB 4.43Å; I228-N249 HydrophobicContact CG2-CB 4.3Å; N249-Y258 PolarHBondContact ND2-O 3.17Å; N249-Y258 VanDerWaalsContact ND2-O 3.14Å; N249-G259 PolarHBondContact ND2-O 3.44Å; N249-L280 HydrophobicContact CB-CD1 4.17Å; N249-N281 PolarHBondContact N-O 3.07Å; N249-T282 WeakPolarHBondContact OD1-CA 3.34Å; N249-T282 WeakPolarHBondContact OD1-CB 3.37Å; N249-T282 PolarHBondContact OD1-OG1 3.23Å; N249-V283 PolarHBondContact O-N 3.42Å |
| 250 | V | 95 | Very high | 89 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 113.3 | 177.6 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | M148 F152 T180 L181 I220 I221 L252 | M148-V250 HydrophobicContact CG-CG1 4.07Å; M148-V250 HydrophobicContact SD-CG1 4.21Å; M148-V250 HydrophobicContact SD-CG2 4.36Å; F152-V250 HydrophobicContact CE2-CG2 3.94Å; F152-V250 HydrophobicContact CZ-CG2 4.14Å; T180-V250 HydrophobicContact CG2-CB 4.41Å; T180-V250 HydrophobicContact CG2-CG1 4.28Å; T180-V250 HydrophobicContact CG2-CG2 4.44Å; L181-V250 HydrophobicContact CD2-CG2 4.46Å; I220-V250 HydrophobicContact CG2-CG2 4.19Å; I221-V250 PolarHBondContact O-N 3.41Å; V250-L252 HydrophobicContact CB-CD2 4.03Å; V250-L252 HydrophobicContact CG1-CD2 3.63Å; V250-L252 PolarHBondContact O-N 3.25Å |
| 251 | D | 90.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | trans | -81.8 | 91.6 | 165.2 | 172.7 | 11.4 | 0 | 0 | 0 | 108.3 | F253 N254 A255 T282 V283 T284 | D251-F253 PolarHBondContact O-N 3.01Å; D251-N254 VanDerWaalsContact OD1-CA 3.29Å; D251-N254 WeakPolarHBondContact OD1-CA 3.32Å; D251-N254 PolarHBondContact OD1-N 3.34Å; D251-N254 VanDerWaalsContact OD1-N 3.17Å; D251-A255 PolarHBondContact OD1-N 3.3Å; D251-T282 HydrophobicContact CB-CG2 3.88Å; D251-V283 PolarHBondContact N-O 2.8Å; D251-T284 PolarHBondContact OD2-OG1 3.04Å | ||
| 252 | L | 75.9 | Confident | 88.4 | Confident | 15 Ų | 15 | 22.1 Ų | 22.1 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -60 | -42.7 | -166.8 | -62.2 | -178.7 | 0 | 0 | 0 | 114.3 | Y145 D176 T180 V250 Y258 | Y145-L252 HydrophobicContact CE1-CD2 4.4Å; D176-L252 HydrophobicContact CB-CD1 4.12Å; T180-L252 HydrophobicContact CG2-CD2 3.28Å; T180-L252 WeakPolarHBondContact OG1-CD2 3.16Å; V250-L252 HydrophobicContact CB-CD2 4.03Å; V250-L252 HydrophobicContact CG1-CD2 3.63Å; V250-L252 PolarHBondContact O-N 3.25Å; L252-Y258 HydrophobicContact CB-CD2 4.49Å; L252-Y258 HydrophobicContact CB-CG 4.42Å; L252-Y258 HydrophobicContact CD1-CD1 3.69Å; L252-Y258 HydrophobicContact CD1-CE1 3.57Å; L252-Y258 HydrophobicContact CD1-CG 4.21Å; L252-Y258 HydrophobicContact CG-CD1 4.07Å; L252-Y258 HydrophobicContact CG-CE1 4.43Å; L252-Y258 HydrophobicContact CG-CG 4.2Å |
| 253 | F | 83.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -126.5 | 13.1 | -162.4 | -49.1 | -49.4 | 0 | 0 | 0 | 112.4 | L40 L124 Y145 D176 D251 A255 Y258 N319 M320 F321 | L40-F253 HydrophobicContact CD1-CB 4.04Å; L40-F253 HydrophobicContact CD1-CD2 3.77Å; L40-F253 HydrophobicContact CD1-CG 4.34Å; L124-F253 HydrophobicContact CD1-CE1 3.94Å; Y145-F253 HydrophobicContact CE1-CE1 4.3Å; D176-F253 HydrophobicContact CB-CZ 4.39Å; D251-F253 PolarHBondContact O-N 3.01Å; F253-A255 HydrophobicContact CB-CB 4.41Å; F253-Y258 AromaticContact CD2-CD2 3.98Å; F253-Y258 HydrophobicContact CD2-CD2 3.98Å; F253-Y258 AromaticContact CD2-CE2 3.52Å; F253-Y258 HydrophobicContact CD2-CE2 3.52Å; F253-Y258 HydrophobicContact CE2-CD2 4.38Å; F253-Y258 AromaticContact CE2-CE2 3.64Å; F253-Y258 HydrophobicContact CE2-CE2 3.64Å; F253-Y258 AromaticContact CE2-CZ 3.79Å; F253-N319 WeakPolarHBondContact O-CB 3.33Å; F253-M320 HydrophobicContact CD1-CE 3.91Å; F253-M320 HydrophobicContact CE1-CE 4.45Å; F253-M320 PolarHBondContact O-N 3.46Å; F253-M320 VanDerWaalsContact O-N 3.13Å; F253-F321 HydrophobicContact CB-CE2 3.77Å; F253-F321 HydrophobicContact CB-CZ 4.35Å; F253-F321 HydrophobicContact CD1-CE1 4.38Å; F253-F321 AromaticContact CD1-CE2 3.78Å; F253-F321 HydrophobicContact CD1-CE2 3.78Å; F253-F321 AromaticContact CD1-CZ 3.44Å; F253-F321 HydrophobicContact CD1-CZ 3.44Å; F253-F321 VanDerWaalsContact CD1-CZ 3.44Å; F253-F321 AromaticContact CD2-CE2 3.87Å; F253-F321 HydrophobicContact CD2-CE2 3.87Å; F253-F321 HydrophobicContact CD2-CZ 4.07Å; F253-F321 HydrophobicContact CE1-CE1 4.5Å; F253-F321 HydrophobicContact CE1-CE2 4.34Å; F253-F321 AromaticContact CE1-CZ 3.64Å; F253-F321 HydrophobicContact CE1-CZ 3.64Å; F253-F321 HydrophobicContact CE2-CE2 4.4Å; F253-F321 HydrophobicContact CE2-CZ 4.22Å; F253-F321 AromaticContact CG-CE2 3.51Å; F253-F321 HydrophobicContact CG-CE2 3.51Å; F253-F321 AromaticContact CG-CZ 3.68Å; F253-F321 HydrophobicContact CG-CZ 3.68Å; F253-F321 HydrophobicContact CZ-CZ 4.02Å |
| 254 | N | 81.7 | Confident | 88.7 | Confident | 36 Ų | 36 | 23.8 Ų | 23.8 | 19% | 0.193 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 54.8 | 55.3 | -167.9 | -174.2 | 80.3 | 0 | 0 | 0 | 110 | D251 R287 | D251-N254 VanDerWaalsContact OD1-CA 3.29Å; D251-N254 WeakPolarHBondContact OD1-CA 3.32Å; D251-N254 PolarHBondContact OD1-N 3.34Å; D251-N254 VanDerWaalsContact OD1-N 3.17Å; N254-R287 PolarHBondContact ND2-NH1 3.49Å |
| 255 | A | 81.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | trans | -133.3 | 131.9 | -176 | 0 | 0 | 0 | 0 | 0 | 109.4 | L40 D251 F253 S257 Y258 | L40-A255 HydrophobicContact CD1-CB 3.5Å; L40-A255 HydrophobicContact CD2-CB 4.12Å; L40-A255 HydrophobicContact CG-CB 4.48Å; D251-A255 PolarHBondContact OD1-N 3.3Å; F253-A255 HydrophobicContact CB-CB 4.41Å; A255-S257 PolarHBondContact O-N 3.3Å; A255-S257 VanDerWaalsContact O-N 3.08Å; A255-Y258 PolarHBondContact O-N 2.96Å | ||
| 256 | S | 82 | Confident | 89 | Confident | 45 Ų | 45 | 34.7 Ų | 34.7 | 32% | 0.315 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -60.3 | -24 | -178.5 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | A225 Y258 G259 D314 | A225-S256 WeakPolarHBondContact CB-O 3.38Å; S256-Y258 PolarHBondContact O-N 3.06Å; S256-G259 PolarHBondContact O-N 3.47Å; S256-G259 VanDerWaalsContact O-N 3.07Å; S256-D314 VanDerWaalsContact CB-OD1 3.28Å; S256-D314 WeakPolarHBondContact CB-OD1 3.28Å; S256-D314 VanDerWaalsContact N-CG 3.33Å; S256-D314 PolarHBondContact N-OD1 2.92Å; S256-D314 PolarHBondContact N-OD2 2.84Å; S256-D314 PolarHBondContact OG-OD1 3.33Å; S256-D314 PolarHBondContact OG-OD2 3.36Å |
| 257 | S | 84.4 | Confident | 89 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 30% | 0.301 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -56.7 | -26.7 | 175.9 | 65.6 | 0 | 0 | 0 | 0 | 115.4 | G224 A225 A255 D314 | G224-S257 CarbonylContact C-O 3.5Å; G224-S257 WeakPolarHBondContact CA-O 3.44Å; A225-S257 PolarHBondContact N-O 2.68Å; A255-S257 PolarHBondContact O-N 3.3Å; A255-S257 VanDerWaalsContact O-N 3.08Å; S257-D314 PolarHBondContact N-OD2 3.47Å; S257-D314 VanDerWaalsContact N-OD2 3.07Å |
| 258 | Y | 83.9 | Confident | 89 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -103.5 | 12.1 | 178.3 | -66.5 | -86.4 | 0 | 0 | 0 | 113.5 | L40 D176 I228 N249 L252 F253 A255 S256 | L40-Y258 HydrophobicContact CD1-CE2 4.28Å; D176-Y258 PolarHBondContact OD2-OH 3.23Å; I228-Y258 VanDerWaalsContact CD1-O 3.25Å; I228-Y258 WeakPolarHBondContact CD1-O 3.32Å; N249-Y258 PolarHBondContact ND2-O 3.17Å; N249-Y258 VanDerWaalsContact ND2-O 3.14Å; L252-Y258 HydrophobicContact CB-CD2 4.49Å; L252-Y258 HydrophobicContact CB-CG 4.42Å; L252-Y258 HydrophobicContact CD1-CD1 3.69Å; L252-Y258 HydrophobicContact CD1-CE1 3.57Å; L252-Y258 HydrophobicContact CD1-CG 4.21Å; L252-Y258 HydrophobicContact CG-CD1 4.07Å; L252-Y258 HydrophobicContact CG-CE1 4.43Å; L252-Y258 HydrophobicContact CG-CG 4.2Å; F253-Y258 AromaticContact CD2-CD2 3.98Å; F253-Y258 HydrophobicContact CD2-CD2 3.98Å; F253-Y258 AromaticContact CD2-CE2 3.52Å; F253-Y258 HydrophobicContact CD2-CE2 3.52Å; F253-Y258 HydrophobicContact CE2-CD2 4.38Å; F253-Y258 AromaticContact CE2-CE2 3.64Å; F253-Y258 HydrophobicContact CE2-CE2 3.64Å; F253-Y258 AromaticContact CE2-CZ 3.79Å; A255-Y258 PolarHBondContact O-N 2.96Å; S256-Y258 PolarHBondContact O-N 3.06Å |
| 259 | G | 83.4 | Confident | 89 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | trans | 83.9 | 85.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | N249 S256 G261 T282 | N249-G259 PolarHBondContact ND2-O 3.44Å; S256-G259 PolarHBondContact O-N 3.47Å; S256-G259 VanDerWaalsContact O-N 3.07Å; G259-G261 PolarHBondContact O-N 2.79Å; G259-G261 VanDerWaalsContact O-N 3.08Å; G259-T282 WeakPolarHBondContact O-CG2 3.39Å | ||
| 260 | N | 84 | Confident | 89 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | trans | -79.5 | 25.3 | 175.2 | 68.2 | -8.6 | 0 | 0 | 0 | 114.2 | S262 | N260-S262 VanDerWaalsContact C-N 3.34Å; N260-S262 WeakPolarHBondContact OD1-CB 3.11Å; N260-S262 PolarHBondContact OD1-N 3.27Å; N260-S262 VanDerWaalsContact OD1-N 3.16Å; N260-S262 PolarHBondContact OD1-OG 2.78Å | ||
| 261 | G | 86.2 | Confident | 89 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 82.9 | -0.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G259 W263 Y393 | G259-G261 PolarHBondContact O-N 2.79Å; G259-G261 VanDerWaalsContact O-N 3.08Å; G261-W263 PolarHBondContact O-N 3.12Å; G261-W263 VanDerWaalsContact O-N 3.09Å; G261-Y393 WeakPolarHBondContact O-CD2 3.28Å; G261-Y393 VanDerWaalsContact O-CE2 3.27Å; G261-Y393 WeakPolarHBondContact O-CE2 3.29Å |
| 262 | S | 90.4 | Very high | 89.3 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | trans | -71.5 | 103.9 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | N260 R265 | N260-S262 VanDerWaalsContact C-N 3.34Å; N260-S262 WeakPolarHBondContact OD1-CB 3.11Å; N260-S262 PolarHBondContact OD1-N 3.27Å; N260-S262 VanDerWaalsContact OD1-N 3.16Å; N260-S262 PolarHBondContact OD1-OG 2.78Å; S262-R265 PolarHBondContact O-NH1 2.8Å | ||
| 263 | W | 93.6 | Very high | 90.4 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -84.5 | -28 | 179.9 | 52.5 | -92.1 | 0 | 0 | 0 | 114.2 | R229 G261 D270 A273 R274 Y277 G391 | R229-W263 PolarHBondContact NE-O 3.13Å; G261-W263 PolarHBondContact O-N 3.12Å; G261-W263 VanDerWaalsContact O-N 3.09Å; W263-D270 HydrophobicContact CZ3-CB 4.08Å; W263-D270 WeakPolarHBondContact CZ3-O 3.43Å; W263-A273 HydrophobicContact CB-CB 4.34Å; W263-R274 HydrophobicContact CD2-CB 3.86Å; W263-R274 HydrophobicContact CD2-CG 4.29Å; W263-R274 HydrophobicContact CE3-CB 3.72Å; W263-R274 HydrophobicContact CE3-CG 4.49Å; W263-R274 HydrophobicContact CH2-CB 4.04Å; W263-R274 HydrophobicContact CH2-CG 4.15Å; W263-R274 HydrophobicContact CZ2-CB 4.18Å; W263-R274 HydrophobicContact CZ2-CG 3.93Å; W263-R274 HydrophobicContact CZ3-CB 3.81Å; W263-R274 HydrophobicContact CZ3-CG 4.42Å; W263-Y277 HydrophobicContact CB-CD1 3.57Å; W263-Y277 HydrophobicContact CB-CD2 3.89Å; W263-Y277 HydrophobicContact CB-CE1 3.89Å; W263-Y277 HydrophobicContact CB-CE2 4.19Å; W263-Y277 HydrophobicContact CB-CG 3.56Å; W263-G391 PolarHBondContact NE1-O 2.95Å | ||
| 264 | K | 94.1 | Very high | 91 | Very high | 116 Ų | 116 | 59.5 Ų | 59.5 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | trans | -75.2 | 134.5 | -172.4 | -161.7 | -179.3 | -179.9 | -172.1 | 0 | 111.4 | D270 | K264-D270 WeakPolarHBondContact CG-OD2 3.25Š| ||
| 265 | R | 94.4 | Very high | 91.6 | Very high | 80 Ų | 80 | 61.9 Ų | 61.9 | 30% | 0.302 | 31% | 0.307 | S | S | . | . | trans | -130.6 | 3.3 | 174.4 | -68.9 | -62.7 | -176.6 | -76.3 | -5.6 | 113.8 | D226 S262 D267 D270 | D226-R265 IonicContact OD1-CZ 2.75Å; D226-R265 VanDerWaalsContact OD1-CZ 3.29Å; D226-R265 IonicContact OD1-NE 2.73Å; D226-R265 PolarHBondContact OD1-NE 2.83Å; D226-R265 IonicContact OD1-NH2 3.72Å; D226-R265 PolarHBondContact OD1-NH2 2.97Å; S262-R265 PolarHBondContact O-NH1 2.8Å; R265-D267 VanDerWaalsContact C-N 3.28Å; R265-D270 PolarHBondContact N-OD1 3.12Å | ||
| 266 | E | 95.5 | Very high | 92.4 | Very high | 172 Ų | 172 | 61.8 Ų | 61.8 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 62.5 | 36.5 | -176.7 | -49.7 | -169.9 | 154.4 | 0 | 0 | 112.3 | D270 | E266-D270 WeakPolarHBondContact CA-OD2 3.31Å; E266-D270 PolarHBondContact N-OD2 3.5Å |
| 267 | D | 96.7 | Very high | 93.1 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -116.9 | 179 | 177.5 | 74.3 | 18.6 | 0 | 0 | 0 | 112.2 | R229 R265 F269 D270 | R229-D267 IonicContact CZ-OD1 2.91Å; R229-D267 IonicContact CZ-OD2 3.45Å; R229-D267 VanDerWaalsContact CZ-OD2 3.25Å; R229-D267 IonicContact NH1-OD1 3.65Å; R229-D267 IonicContact NH1-OD2 2.75Å; R229-D267 PolarHBondContact NH1-OD2 3.41Å; R229-D267 IonicContact NH2-OD1 3.73Å; R229-D267 PolarHBondContact NH2-OD1 3.09Å; R229-D267 IonicContact NH2-OD2 3.95Å; R229-D267 PolarHBondContact NH2-OD2 3.1Å; R265-D267 VanDerWaalsContact C-N 3.28Å; D267-F269 PolarHBondContact O-N 3.2Å; D267-F269 WeakPolarHBondContact OD1-CA 3.03Å; D267-F269 WeakPolarHBondContact OD1-CB 3.4Å; D267-F269 PolarHBondContact OD1-N 3.07Å; D267-D270 PolarHBondContact N-OD2 2.83Å; D267-D270 PolarHBondContact O-N 2.68Å; D267-D270 PolarHBondContact OD1-N 2.77Å |
| 268 | E | 97.3 | Very high | 93.5 | Very high | 171 Ų | 171 | 58.6 Ų | 58.6 | 80% | 0.799 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -12.2 | -179.1 | 67.1 | -176.6 | 156.6 | 0 | 0 | 114.5 | ||
| 269 | F | 97.4 | Very high | 94 | Very high | 89 Ų | 89 | 57.3 Ų | 57.3 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 2.3 | -176.8 | -55.2 | -71.7 | 0 | 0 | 0 | 112.9 | L233 D267 D271 D272 A273 | L233-F269 HydrophobicContact CD1-CB 3.97Å; L233-F269 HydrophobicContact CD1-CG 4.46Å; L233-F269 HydrophobicContact CD2-CB 4.12Å; D267-F269 PolarHBondContact O-N 3.2Å; D267-F269 WeakPolarHBondContact OD1-CA 3.03Å; D267-F269 WeakPolarHBondContact OD1-CB 3.4Å; D267-F269 PolarHBondContact OD1-N 3.07Å; F269-D271 VanDerWaalsContact C-N 3.3Å; F269-D271 PolarHBondContact O-N 3.27Å; F269-D272 PolarHBondContact O-N 2.82Å; F269-D272 VanDerWaalsContact O-N 3.12Å; F269-A273 WeakPolarHBondContact O-CB 3.28Å; F269-A273 PolarHBondContact O-N 2.8Å |
| 270 | D | 96.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.8 | -37.9 | -174.9 | -88.3 | -8.1 | 0 | 0 | 0 | 113.6 | R229 W263 K264 R265 E266 D267 A273 R274 | R229-D270 IonicContact NH2-OD1 2.74Å; R229-D270 PolarHBondContact NH2-OD1 3.25Å; R229-D270 VanDerWaalsContact NH2-OD1 3.14Å; W263-D270 HydrophobicContact CZ3-CB 4.08Å; W263-D270 WeakPolarHBondContact CZ3-O 3.43Å; K264-D270 WeakPolarHBondContact CG-OD2 3.25Å; R265-D270 PolarHBondContact N-OD1 3.12Å; E266-D270 WeakPolarHBondContact CA-OD2 3.31Å; E266-D270 PolarHBondContact N-OD2 3.5Å; D267-D270 PolarHBondContact N-OD2 2.83Å; D267-D270 PolarHBondContact O-N 2.68Å; D267-D270 PolarHBondContact OD1-N 2.77Å; D270-A273 PolarHBondContact O-N 2.7Å; D270-R274 WeakPolarHBondContact O-CB 3.37Å; D270-R274 PolarHBondContact O-N 3.27Å |
| 271 | D | 96.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.8 | -36.8 | 176.7 | -88.4 | -39.6 | 0 | 0 | 0 | 113.2 | F269 R274 Q275 | F269-D271 VanDerWaalsContact C-N 3.3Å; F269-D271 PolarHBondContact O-N 3.27Å; D271-R274 IonicContact OD1-CZ 3.55Å; D271-R274 IonicContact OD1-NE 2.76Å; D271-R274 IonicContact OD1-NH2 2.81Å; D271-R274 PolarHBondContact OD1-NH2 3.49Å; D271-Q275 WeakPolarHBondContact O-CG 3.39Å; D271-Q275 PolarHBondContact O-N 3.34Å; D271-Q275 PolarHBondContact O-NE2 3.08Å; D271-Q275 VanDerWaalsContact O-NE2 3.11Å |
| 272 | D | 97.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 174.3 | -72.8 | -12.7 | 0 | 0 | 0 | 110.4 | L233 F269 Q275 A276 | L233-D272 HydrophobicContact CD2-CB 3.76Å; F269-D272 PolarHBondContact O-N 2.82Å; F269-D272 VanDerWaalsContact O-N 3.12Å; D272-Q275 PolarHBondContact O-N 2.95Å; D272-A276 VanDerWaalsContact O-CB 3.32Å; D272-A276 WeakPolarHBondContact O-CB 3.45Å; D272-A276 PolarHBondContact O-N 2.81Å |
| 273 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L233 W263 F269 D270 Q275 A276 Y277 | L233-A273 HydrophobicContact CD2-CB 3.97Å; L233-A273 HydrophobicContact CG-CB 4.47Å; W263-A273 HydrophobicContact CB-CB 4.34Å; F269-A273 WeakPolarHBondContact O-CB 3.28Å; F269-A273 PolarHBondContact O-N 2.8Å; D270-A273 PolarHBondContact O-N 2.7Å; A273-Q275 VanDerWaalsContact C-N 3.32Å; A273-Q275 PolarHBondContact O-N 3.45Å; A273-A276 PolarHBondContact O-N 2.87Å; A273-Y277 VanDerWaalsContact O-CB 3.32Å; A273-Y277 WeakPolarHBondContact O-CB 3.45Å; A273-Y277 WeakPolarHBondContact O-CD2 3.37Å; A273-Y277 PolarHBondContact O-N 2.74Å |
| 274 | R | 96.4 | Very high | 96 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 15% | 0.151 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.4 | -45.7 | 175.2 | -176.5 | 176.1 | 53 | 75.3 | 4.2 | 111.6 | W263 D270 D271 A278 M385 I388 | W263-R274 HydrophobicContact CD2-CB 3.86Å; W263-R274 HydrophobicContact CD2-CG 4.29Å; W263-R274 HydrophobicContact CE3-CB 3.72Å; W263-R274 HydrophobicContact CE3-CG 4.49Å; W263-R274 HydrophobicContact CH2-CB 4.04Å; W263-R274 HydrophobicContact CH2-CG 4.15Å; W263-R274 HydrophobicContact CZ2-CB 4.18Å; W263-R274 HydrophobicContact CZ2-CG 3.93Å; W263-R274 HydrophobicContact CZ3-CB 3.81Å; W263-R274 HydrophobicContact CZ3-CG 4.42Å; D270-R274 WeakPolarHBondContact O-CB 3.37Å; D270-R274 PolarHBondContact O-N 3.27Å; D271-R274 IonicContact OD1-CZ 3.55Å; D271-R274 IonicContact OD1-NE 2.76Å; D271-R274 IonicContact OD1-NH2 2.81Å; D271-R274 PolarHBondContact OD1-NH2 3.49Å; R274-A278 PolarHBondContact O-N 3.14Å; R274-M385 HydrophobicContact CG-CE 4.44Å; R274-I388 WeakPolarHBondContact CD-O 3.4Å; R274-I388 WeakPolarHBondContact CG-O 3.36Å; R274-I388 PolarHBondContact NH1-O 3.19Å |
| 275 | Q | 95.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68 | -40 | 177.5 | -73 | 174.7 | 83.9 | 0 | 0 | 112.6 | D271 D272 A273 A278 | D271-Q275 WeakPolarHBondContact O-CG 3.39Å; D271-Q275 PolarHBondContact O-N 3.34Å; D271-Q275 PolarHBondContact O-NE2 3.08Å; D271-Q275 VanDerWaalsContact O-NE2 3.11Å; D272-Q275 PolarHBondContact O-N 2.95Å; A273-Q275 VanDerWaalsContact C-N 3.32Å; A273-Q275 PolarHBondContact O-N 3.45Å; Q275-A278 WeakPolarHBondContact O-CB 3.28Å; Q275-A278 PolarHBondContact O-N 3.46Å |
| 276 | A | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M232 H236 T241 D272 A273 A278 S279 | M232-A276 HydrophobicContact CB-CB 4.1Å; M232-A276 WeakPolarHBondContact CE-O 3.41Å; M232-A276 WeakPolarHBondContact O-CB 3.39Å; H236-A276 HydrophobicContact CB-CB 3.65Å; T241-A276 HydrophobicContact CG2-CB 4.49Å; D272-A276 VanDerWaalsContact O-CB 3.32Å; D272-A276 WeakPolarHBondContact O-CB 3.45Å; D272-A276 PolarHBondContact O-N 2.81Å; A273-A276 PolarHBondContact O-N 2.87Å; A276-A278 PolarHBondContact O-N 2.91Å; A276-S279 PolarHBondContact O-N 2.93Å; A276-S279 PolarHBondContact O-OG 2.86Å |
| 277 | Y | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -20.6 | -178.7 | -86.6 | -124.1 | 0 | 0 | 0 | 112.7 | R229 M232 W263 A273 S279 L280 Y393 | R229-Y277 VanDerWaalsContact CA-OH 3.28Å; R229-Y277 WeakPolarHBondContact CA-OH 3.31Å; R229-Y277 HydrophobicContact CB-CE2 4.39Å; R229-Y277 VanDerWaalsContact CB-OH 3.31Å; R229-Y277 WeakPolarHBondContact CB-OH 3.13Å; R229-Y277 HydrophobicContact CG-CE2 4.18Å; R229-Y277 PolarHBondContact N-OH 3Å; M232-Y277 HydrophobicContact CB-CD2 4.15Å; M232-Y277 HydrophobicContact CB-CE2 3.92Å; M232-Y277 HydrophobicContact CG-CD2 4.42Å; M232-Y277 HydrophobicContact CG-CE2 4.17Å; W263-Y277 HydrophobicContact CB-CD1 3.57Å; W263-Y277 HydrophobicContact CB-CD2 3.89Å; W263-Y277 HydrophobicContact CB-CE1 3.89Å; W263-Y277 HydrophobicContact CB-CE2 4.19Å; W263-Y277 HydrophobicContact CB-CG 3.56Å; A273-Y277 VanDerWaalsContact O-CB 3.32Å; A273-Y277 WeakPolarHBondContact O-CB 3.45Å; A273-Y277 WeakPolarHBondContact O-CD2 3.37Å; A273-Y277 PolarHBondContact O-N 2.74Å; Y277-S279 PolarHBondContact O-N 2.86Å; Y277-L280 HydrophobicContact CD1-CD2 3.83Å; Y277-L280 HydrophobicContact CE1-CD2 3.78Å; Y277-L280 HydrophobicContact CG-CD2 4.27Å; Y277-L280 PolarHBondContact O-N 2.93Å; Y277-Y393 WeakPolarHBondContact CB-OH 3.43Å; Y277-Y393 HydrophobicContact CD1-CE2 4.14Å; Y277-Y393 WeakPolarHBondContact CD1-OH 3.36Å; Y277-Y393 PolarHBondContact O-OH 2.72Å |
| 278 | A | 94.3 | Very high | 93.4 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.5 | 169 | 0 | 0 | 0 | 0 | 0 | 113.4 | R274 Q275 A276 M385 I388 | R274-A278 PolarHBondContact O-N 3.14Å; Q275-A278 WeakPolarHBondContact O-CB 3.28Å; Q275-A278 PolarHBondContact O-N 3.46Å; A276-A278 PolarHBondContact O-N 2.91Å; A278-M385 HydrophobicContact CB-SD 4.03Å; A278-I388 HydrophobicContact CB-CD1 3.92Å; A278-I388 HydrophobicContact CB-CG1 3.85Å; A278-I388 HydrophobicContact CB-CG2 4.12Å |
| 279 | S | 94.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -6.9 | 174.5 | 71.7 | 0 | 0 | 0 | 0 | 114.8 | M232 T241 A276 Y277 | M232-S279 WeakPolarHBondContact CE-OG 3.41Å; T241-S279 WeakPolarHBondContact CB-OG 3.32Å; T241-S279 VanDerWaalsContact CG2-OG 3.24Å; T241-S279 WeakPolarHBondContact CG2-OG 3.41Å; A276-S279 PolarHBondContact O-N 2.93Å; A276-S279 PolarHBondContact O-OG 2.86Å; Y277-S279 PolarHBondContact O-N 2.86Å |
| 280 | L | 96.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.8 | -179.3 | -179.2 | 68.3 | 0 | 0 | 0 | 110.2 | I228 M232 F247 N249 Y277 Y393 | I228-L280 HydrophobicContact CG2-CD2 3.89Å; M232-L280 HydrophobicContact CE-CB 4.04Å; M232-L280 HydrophobicContact CG-CD2 4.16Å; M232-L280 HydrophobicContact SD-CB 4.37Å; M232-L280 HydrophobicContact SD-CD1 4.05Å; F247-L280 HydrophobicContact CB-CD1 3.87Å; N249-L280 HydrophobicContact CB-CD1 4.17Å; Y277-L280 HydrophobicContact CD1-CD2 3.83Å; Y277-L280 HydrophobicContact CE1-CD2 3.78Å; Y277-L280 HydrophobicContact CG-CD2 4.27Å; Y277-L280 PolarHBondContact O-N 2.93Å; L280-Y393 WeakPolarHBondContact O-CE1 3.39Å; L280-Y393 PolarHBondContact O-OH 3.34Å |
| 281 | N | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.3 | 172.3 | -45.9 | -88 | 0 | 0 | 0 | 109.6 | M246 F247 F248 N249 L382 M383 A384 H416 | M246-N281 PolarHBondContact SD-ND2 2.93Å; F247-N281 PolarHBondContact O-N 3Å; F247-N281 PolarHBondContact O-ND2 2.94Å; F248-N281 CarbonylContact C-O 3.58Å; F248-N281 WeakPolarHBondContact CA-O 3.49Å; F248-N281 HydrophobicContact CD1-CB 3.76Å; F248-N281 HydrophobicContact CE1-CB 3.74Å; N249-N281 PolarHBondContact N-O 3.07Å; N281-L382 HydrophobicContact CB-CD1 3.78Å; N281-L382 HydrophobicContact CB-CG 4.31Å; N281-M383 CarbonylContact C-O 3.58Å; N281-M383 VanDerWaalsContact CA-O 3.28Å; N281-M383 WeakPolarHBondContact CA-O 3.1Å; N281-A384 WeakPolarHBondContact OD1-CB 3.4Å; N281-H416 PolarHBondContact OD1-NE2 3.07Å |
| 282 | T | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119 | -175.9 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | N249 D251 G259 M383 | N249-T282 WeakPolarHBondContact OD1-CA 3.34Å; N249-T282 WeakPolarHBondContact OD1-CB 3.37Å; N249-T282 PolarHBondContact OD1-OG1 3.23Å; D251-T282 HydrophobicContact CB-CG2 3.88Å; G259-T282 WeakPolarHBondContact O-CG2 3.39Å; T282-M383 PolarHBondContact N-O 2.88Å; T282-M383 PolarHBondContact O-N 2.72Å |
| 283 | V | 96.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 125 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | M148 F152 M155 F248 N249 D251 F380 L382 | M148-V283 HydrophobicContact CG-CG1 4.5Å; F152-V283 HydrophobicContact CE1-CG2 4.13Å; F152-V283 HydrophobicContact CE2-CG2 4.2Å; F152-V283 HydrophobicContact CZ-CB 4.4Å; F152-V283 HydrophobicContact CZ-CG2 3.67Å; M155-V283 HydrophobicContact CE-CG2 4.22Å; F248-V283 HydrophobicContact CD1-CG2 4.2Å; N249-V283 PolarHBondContact O-N 3.42Å; D251-V283 PolarHBondContact N-O 2.8Å; V283-F380 HydrophobicContact CG1-CB 4.44Å; V283-F380 HydrophobicContact CG1-CD1 4.35Å; V283-L382 HydrophobicContact CG2-CD1 3.73Å |
| 284 | T | 93.5 | Very high | 90 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 168.9 | 178.7 | -168.5 | 0 | 0 | 0 | 0 | 110.4 | D251 F380 S381 M383 | D251-T284 PolarHBondContact OD2-OG1 3.04Å; T284-F380 CarbonylContact O-C 3.39Å; T284-F380 VanDerWaalsContact O-CA 3.32Å; T284-F380 WeakPolarHBondContact O-CA 3.44Å; T284-S381 PolarHBondContact N-O 3.41Å; T284-S381 PolarHBondContact O-N 3.31Å; T284-M383 HydrophobicContact CG2-CG 4.22Å; T284-M383 HydrophobicContact CG2-SD 3.89Å |
| 285 | L | 90.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 138.1 | 176.8 | -70.6 | 162.4 | 0 | 0 | 0 | 111 | P143 R287 M320 F380 | P143-L285 HydrophobicContact CB-CD2 4.4Å; P143-L285 HydrophobicContact CG-CD2 3.88Å; L285-R287 PolarHBondContact O-N 2.94Å; L285-M320 HydrophobicContact CD1-CB 3.69Å; L285-M320 HydrophobicContact CD1-CG 3.66Å; L285-M320 HydrophobicContact CD1-SD 3.43Å; L285-M320 WeakPolarHBondContact CD1-SD 3.29Å; L285-M320 HydrophobicContact CD2-SD 4.47Å; L285-F380 HydrophobicContact CD2-CD1 4.04Å; L285-F380 HydrophobicContact CD2-CE1 3.58Å; L285-F380 HydrophobicContact CD2-CZ 4.17Å; L285-F380 HydrophobicContact CG-CE1 4.39Å |
| 286 | L | 88 | Confident | 89.6 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | trans | -71.5 | 122.8 | 172.7 | -175.2 | 145.8 | 0 | 0 | 0 | 109.1 | T288 D379 N398 F400 | L286-T288 HydrophobicContact CD2-CG2 3.95Å; L286-D379 HydrophobicContact CB-CB 3.76Å; L286-D379 WeakPolarHBondContact CB-O 3.24Å; L286-D379 HydrophobicContact CD1-CB 4.39Å; L286-D379 HydrophobicContact CD2-CB 4.28Å; L286-D379 HydrophobicContact CG-CB 4.36Å; L286-D379 PolarHBondContact N-O 3.33Å; L286-N398 HydrophobicContact CD1-CB 3.8Å; L286-F400 HydrophobicContact CD1-CE1 3.89Å; L286-F400 HydrophobicContact CD1-CZ 4.19Å | ||
| 287 | R | 74.6 | Confident | 89.4 | Confident | 92 Ų | 92 | 41 Ų | 41 | 35% | 0.347 | 22% | 0.219 | S | C | . | . | trans | -108.8 | 133.2 | 176.9 | -70.9 | -178.3 | 56.1 | 177.4 | -14.6 | 110.5 | N254 L285 Y293 V318 | N254-R287 PolarHBondContact ND2-NH1 3.49Å; L285-R287 PolarHBondContact O-N 2.94Å; R287-Y293 PolarHBondContact NH2-OH 3.48Å; R287-V318 PolarHBondContact NH1-O 2.77Å | ||
| 288 | T | 73.1 | Confident | 89.2 | Confident | 56 Ų | 56 | 45.1 Ų | 45.1 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | trans | -98.8 | 131.5 | 167.1 | 83.6 | 0 | 0 | 0 | 0 | 109.5 | L286 A365 G366 | L286-T288 HydrophobicContact CD2-CG2 3.95Å; T288-A365 PolarHBondContact OG1-O 3.07Å; T288-G366 WeakPolarHBondContact OG1-CA 3.42Å | ||
| 289 | V | 71.3 | Confident | 89 | Confident | 105 Ų | 105 | 47.9 Ų | 47.9 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | trans | -94.4 | 118.7 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 290 | K | 82.9 | Confident | 89 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | trans | -125.2 | 152.7 | 175.3 | -62.3 | -173.4 | 179.9 | -170.8 | 0 | 109.6 | E292 Y293 E294 E362 | K290-E292 PolarHBondContact O-N 2.97Å; K290-Y293 VanDerWaalsContact O-CB 3.25Å; K290-Y293 WeakPolarHBondContact O-CB 2.88Å; K290-Y293 PolarHBondContact O-N 3.02Å; K290-E294 PolarHBondContact O-N 3.24Å; K290-E362 IonicContact NZ-OE1 3.72Å; K290-E362 PolarHBondContact NZ-OE1 2.92Å; K290-E362 IonicContact NZ-OE2 3.3Å | ||
| 291 | P | 86.9 | Confident | 88.6 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56.3 | -35.3 | 178.1 | -27.1 | 35.4 | 0 | 0 | 0 | 113.9 | Y293 E294 N295 | P291-Y293 VanDerWaalsContact C-N 3.32Å; P291-Y293 PolarHBondContact O-N 2.8Å; P291-E294 PolarHBondContact O-N 3.21Å; P291-N295 PolarHBondContact O-N 2.85Å |
| 292 | E | 88.4 | Confident | 88.3 | Confident | 109 Ų | 109 | 59.9 Ų | 59.9 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.6 | -68 | 162.7 | -171.6 | 0 | 0 | 111.8 | K290 E294 N295 F296 I364 | K290-E292 PolarHBondContact O-N 2.97Å; E292-E294 VanDerWaalsContact C-N 3.33Å; E292-E294 PolarHBondContact O-N 3.44Å; E292-N295 PolarHBondContact O-N 3.1Å; E292-F296 PolarHBondContact O-N 3.45Å; E292-I364 HydrophobicContact CB-CD1 4.38Å |
| 293 | Y | 90.5 | Very high | 88 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 176.5 | -175.5 | -92.3 | 0 | 0 | 0 | 112.5 | R287 K290 P291 F296 S297 V318 I364 A365 | R287-Y293 PolarHBondContact NH2-OH 3.48Å; K290-Y293 VanDerWaalsContact O-CB 3.25Å; K290-Y293 WeakPolarHBondContact O-CB 2.88Å; K290-Y293 PolarHBondContact O-N 3.02Å; P291-Y293 VanDerWaalsContact C-N 3.32Å; P291-Y293 PolarHBondContact O-N 2.8Å; Y293-F296 HydrophobicContact CD2-CD1 4.46Å; Y293-F296 HydrophobicContact CE2-CD1 4.37Å; Y293-F296 PolarHBondContact O-N 3.24Å; Y293-S297 WeakPolarHBondContact CE1-OG 3.37Å; Y293-S297 WeakPolarHBondContact O-CB 3.45Å; Y293-S297 PolarHBondContact O-N 3.02Å; Y293-S297 PolarHBondContact O-OG 3.47Å; Y293-V318 HydrophobicContact CE2-CG1 4.24Å; Y293-V318 VanDerWaalsContact OH-CB 3.29Å; Y293-V318 WeakPolarHBondContact OH-CB 3.29Å; Y293-V318 VanDerWaalsContact OH-CG1 3.28Å; Y293-V318 WeakPolarHBondContact OH-CG1 3.19Å; Y293-I364 WeakPolarHBondContact CB-O 3.13Å; Y293-A365 HydrophobicContact CD2-CB 3.46Å; Y293-A365 VanDerWaalsContact CD2-CB 3.46Å; Y293-A365 HydrophobicContact CE2-CB 3.6Å; Y293-A365 HydrophobicContact CG-CB 4.44Å |
| 294 | E | 90 | Very high | 87.6 | Confident | 108 Ų | 108 | 62 Ų | 62 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.7 | -65.5 | 178.1 | 177.2 | 0 | 0 | 111.3 | K290 P291 E292 S297 M298 | K290-E294 PolarHBondContact O-N 3.24Å; P291-E294 PolarHBondContact O-N 3.21Å; E292-E294 VanDerWaalsContact C-N 3.33Å; E292-E294 PolarHBondContact O-N 3.44Å; E294-S297 PolarHBondContact O-N 2.95Å; E294-M298 WeakPolarHBondContact O-CG 3.43Å; E294-M298 PolarHBondContact O-N 3.08Å |
| 295 | N | 91.7 | Very high | 87.3 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.6 | -74.6 | -24.9 | 0 | 0 | 0 | 111.8 | P291 E292 S297 M298 E299 | P291-N295 PolarHBondContact O-N 2.85Å; E292-N295 PolarHBondContact O-N 3.1Å; N295-S297 VanDerWaalsContact C-N 3.35Å; N295-S297 PolarHBondContact O-N 2.66Å; N295-M298 PolarHBondContact O-N 2.81Å; N295-M298 VanDerWaalsContact OD1-CE 3.27Å; N295-M298 WeakPolarHBondContact OD1-CE 3.43Å; N295-E299 PolarHBondContact O-N 3.17Å |
| 296 | F | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 173.9 | 173.9 | -108 | 0 | 0 | 0 | 111.6 | A49 Y52 E292 Y293 M298 E299 M300 V318 V322 H326 I364 | A49-F296 HydrophobicContact CB-CE2 3.96Å; A49-F296 HydrophobicContact CB-CZ 3.76Å; Y52-F296 AromaticContact CD1-CD2 3.79Å; Y52-F296 HydrophobicContact CD1-CD2 3.79Å; Y52-F296 HydrophobicContact CD1-CE2 4.25Å; Y52-F296 HydrophobicContact CD2-CD2 4.32Å; Y52-F296 HydrophobicContact CE1-CD2 4.02Å; Y52-F296 AromaticContact CG-CD2 3.96Å; Y52-F296 HydrophobicContact CG-CD2 3.96Å; Y52-F296 HydrophobicContact CG-CE2 4.29Å; E292-F296 PolarHBondContact O-N 3.45Å; Y293-F296 HydrophobicContact CD2-CD1 4.46Å; Y293-F296 HydrophobicContact CE2-CD1 4.37Å; Y293-F296 PolarHBondContact O-N 3.24Å; F296-M298 VanDerWaalsContact C-N 3.35Å; F296-M298 PolarHBondContact O-N 2.88Å; F296-E299 PolarHBondContact O-N 3.43Å; F296-E299 VanDerWaalsContact O-N 3.11Å; F296-M300 HydrophobicContact CD1-CG 4.25Å; F296-M300 HydrophobicContact CD2-CE 4.02Å; F296-M300 HydrophobicContact CD2-CG 4.25Å; F296-M300 HydrophobicContact CD2-SD 4.44Å; F296-M300 HydrophobicContact CE1-CG 3.93Å; F296-M300 HydrophobicContact CE2-CE 3.76Å; F296-M300 HydrophobicContact CE2-CG 3.93Å; F296-M300 HydrophobicContact CE2-SD 3.76Å; F296-M300 HydrophobicContact CG-CG 4.41Å; F296-M300 HydrophobicContact CZ-CE 4.46Å; F296-M300 HydrophobicContact CZ-CG 3.76Å; F296-M300 HydrophobicContact CZ-SD 3.87Å; F296-M300 WeakPolarHBondContact O-CG 3.28Å; F296-M300 PolarHBondContact O-N 2.95Å; F296-V318 HydrophobicContact CD1-CG1 4.4Å; F296-V318 HydrophobicContact CD1-CG2 4.43Å; F296-V318 HydrophobicContact CE1-CG1 3.76Å; F296-V318 HydrophobicContact CE1-CG2 4.26Å; F296-V322 HydrophobicContact CE1-CG1 4.21Å; F296-V322 HydrophobicContact CZ-CG1 3.92Å; F296-H326 HydrophobicContact CE2-CB 4.33Å; F296-H326 HydrophobicContact CZ-CB 4.25Å; F296-I364 HydrophobicContact CB-CD1 3.87Å; F296-I364 HydrophobicContact CB-CG1 3.6Å; F296-I364 HydrophobicContact CD1-CG1 3.77Å; F296-I364 HydrophobicContact CD1-CG2 4.23Å; F296-I364 HydrophobicContact CD2-CG1 3.95Å; F296-I364 HydrophobicContact CE1-CG1 4.38Å; F296-I364 HydrophobicContact CE1-CG2 4.11Å; F296-I364 HydrophobicContact CG-CD1 4.23Å; F296-I364 HydrophobicContact CG-CG1 3.51Å; F296-I364 HydrophobicContact CZ-CG2 4.45Å |
| 297 | S | 91.9 | Very high | 87 | Confident | 32 Ų | 32 | 71 Ų | 71 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | -179.9 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | Y293 E294 N295 E299 M300 K301 | Y293-S297 WeakPolarHBondContact CE1-OG 3.37Å; Y293-S297 WeakPolarHBondContact O-CB 3.45Å; Y293-S297 PolarHBondContact O-N 3.02Å; Y293-S297 PolarHBondContact O-OG 3.47Å; E294-S297 PolarHBondContact O-N 2.95Å; N295-S297 VanDerWaalsContact C-N 3.35Å; N295-S297 PolarHBondContact O-N 2.66Å; S297-E299 VanDerWaalsContact C-N 3.34Å; S297-M300 PolarHBondContact O-N 3.37Å; S297-K301 WeakPolarHBondContact O-CB 3.47Å; S297-K301 PolarHBondContact O-N 3.19Å |
| 298 | M | 90.9 | Very high | 87.5 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 174.3 | -74.1 | -171.1 | -68.3 | 0 | 0 | 112.1 | E294 N295 F296 K301 R302 | E294-M298 WeakPolarHBondContact O-CG 3.43Å; E294-M298 PolarHBondContact O-N 3.08Å; N295-M298 PolarHBondContact O-N 2.81Å; N295-M298 VanDerWaalsContact OD1-CE 3.27Å; N295-M298 WeakPolarHBondContact OD1-CE 3.43Å; F296-M298 VanDerWaalsContact C-N 3.35Å; F296-M298 PolarHBondContact O-N 2.88Å; M298-K301 PolarHBondContact O-N 3.09Å; M298-R302 VanDerWaalsContact O-CG 3.32Å; M298-R302 WeakPolarHBondContact O-CG 3.33Å; M298-R302 PolarHBondContact O-N 2.86Å |
| 299 | E | 92.1 | Very high | 87.7 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 179.3 | -169.6 | 61 | -165.4 | 0 | 0 | 112.3 | Y52 N295 F296 S297 K301 R302 S303 | Y52-E299 HydrophobicContact CD2-CB 4.35Å; Y52-E299 HydrophobicContact CD2-CG 4Å; Y52-E299 HydrophobicContact CE2-CB 4.23Å; Y52-E299 HydrophobicContact CE2-CG 4.2Å; N295-E299 PolarHBondContact O-N 3.17Å; F296-E299 PolarHBondContact O-N 3.43Å; F296-E299 VanDerWaalsContact O-N 3.11Å; S297-E299 VanDerWaalsContact C-N 3.34Å; E299-K301 VanDerWaalsContact C-N 3.35Å; E299-R302 PolarHBondContact O-N 2.9Å; E299-R302 IonicContact OE2-NH1 3.66Å; E299-S303 WeakPolarHBondContact O-CB 3.23Å; E299-S303 PolarHBondContact O-N 3.27Å; E299-S303 PolarHBondContact O-OG 3.31Å |
| 300 | M | 93.1 | Very high | 87.4 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 173.1 | -65.2 | -52.1 | 95.6 | 0 | 0 | 110.3 | P48 A49 Y52 F296 S297 R302 S303 I304 V318 V322 | P48-M300 HydrophobicContact CB-CE 3.98Å; P48-M300 HydrophobicContact CB-SD 3.87Å; A49-M300 HydrophobicContact CB-SD 3.75Å; A49-M300 PolarHBondContact N-SD 3.31Å; Y52-M300 HydrophobicContact CD2-CE 4.31Å; Y52-M300 HydrophobicContact CG-CE 4.46Å; F296-M300 HydrophobicContact CD1-CG 4.25Å; F296-M300 HydrophobicContact CD2-CE 4.02Å; F296-M300 HydrophobicContact CD2-CG 4.25Å; F296-M300 HydrophobicContact CD2-SD 4.44Å; F296-M300 HydrophobicContact CE1-CG 3.93Å; F296-M300 HydrophobicContact CE2-CE 3.76Å; F296-M300 HydrophobicContact CE2-CG 3.93Å; F296-M300 HydrophobicContact CE2-SD 3.76Å; F296-M300 HydrophobicContact CG-CG 4.41Å; F296-M300 HydrophobicContact CZ-CE 4.46Å; F296-M300 HydrophobicContact CZ-CG 3.76Å; F296-M300 HydrophobicContact CZ-SD 3.87Å; F296-M300 WeakPolarHBondContact O-CG 3.28Å; F296-M300 PolarHBondContact O-N 2.95Å; S297-M300 PolarHBondContact O-N 3.37Å; M300-R302 PolarHBondContact O-N 2.64Å; M300-S303 WeakPolarHBondContact O-CB 3.44Å; M300-S303 PolarHBondContact O-N 3.49Å; M300-I304 WeakPolarHBondContact O-CG1 3.37Å; M300-I304 PolarHBondContact O-N 3.16Å; M300-V318 HydrophobicContact CB-CG2 3.98Å; M300-V318 HydrophobicContact CG-CG2 4Å; M300-V322 HydrophobicContact CG-CG1 3.96Å; M300-V322 HydrophobicContact SD-CG1 3.96Å |
| 301 | K | 89.8 | Confident | 86.4 | Confident | 106 Ų | 106 | 76 Ų | 76 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 176.6 | -175.3 | 176.4 | 178.4 | 177.2 | 0 | 112.1 | S297 M298 E299 S303 I304 E305 | S297-K301 WeakPolarHBondContact O-CB 3.47Å; S297-K301 PolarHBondContact O-N 3.19Å; M298-K301 PolarHBondContact O-N 3.09Å; E299-K301 VanDerWaalsContact C-N 3.35Å; K301-S303 VanDerWaalsContact C-N 3.29Å; K301-S303 PolarHBondContact O-N 2.86Å; K301-I304 PolarHBondContact O-N 2.88Å; K301-E305 WeakPolarHBondContact CE-OE1 3.34Å; K301-E305 HydrophobicContact CG-CG 4.49Å; K301-E305 WeakPolarHBondContact O-CG 3.15Å; K301-E305 PolarHBondContact O-N 3.28Å |
| 302 | R | 90.1 | Very high | 85.4 | Confident | 149 Ų | 149 | 73 Ų | 73 | 56% | 0.562 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.7 | -39.6 | 176.9 | -75.6 | 173.5 | -178.2 | 163.2 | 2.3 | 112.7 | M298 E299 M300 E305 G306 | M298-R302 VanDerWaalsContact O-CG 3.32Å; M298-R302 WeakPolarHBondContact O-CG 3.33Å; M298-R302 PolarHBondContact O-N 2.86Å; E299-R302 PolarHBondContact O-N 2.9Å; E299-R302 IonicContact OE2-NH1 3.66Å; M300-R302 PolarHBondContact O-N 2.64Å; R302-E305 PolarHBondContact O-N 3.26Å; R302-G306 PolarHBondContact O-N 3.07Å |
| 303 | S | 90.3 | Very high | 84.3 | Confident | 33 Ų | 33 | 74.3 Ų | 74.3 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 178.6 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | E299 M300 K301 G306 L307 | E299-S303 WeakPolarHBondContact O-CB 3.23Å; E299-S303 PolarHBondContact O-N 3.27Å; E299-S303 PolarHBondContact O-OG 3.31Å; M300-S303 WeakPolarHBondContact O-CB 3.44Å; M300-S303 PolarHBondContact O-N 3.49Å; K301-S303 VanDerWaalsContact C-N 3.29Å; K301-S303 PolarHBondContact O-N 2.86Å; S303-G306 PolarHBondContact O-N 3.07Å; S303-L307 WeakPolarHBondContact O-CG 3.3Å; S303-L307 PolarHBondContact O-N 3.19Å |
| 304 | I | 86.9 | Confident | 83.5 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 7% | 0.067 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68 | -44.2 | 177.7 | -63.7 | -63.7 | 0 | 0 | 0 | 111.7 | A44 R45 M300 K301 G306 L307 G308 L309 C315 | A44-I304 WeakPolarHBondContact O-CD1 3.35Å; R45-I304 HydrophobicContact CG-CD1 4.23Å; M300-I304 WeakPolarHBondContact O-CG1 3.37Å; M300-I304 PolarHBondContact O-N 3.16Å; K301-I304 PolarHBondContact O-N 2.88Å; I304-G306 VanDerWaalsContact C-N 3.3Å; I304-G306 PolarHBondContact O-N 2.9Å; I304-L307 PolarHBondContact O-N 2.85Å; I304-L307 VanDerWaalsContact O-N 3.11Å; I304-G308 PolarHBondContact O-N 2.99Å; I304-L309 HydrophobicContact CD1-CD1 4.47Å; I304-L309 HydrophobicContact CG2-CB 3.77Å; I304-L309 PolarHBondContact O-N 3.37Å; I304-C315 HydrophobicContact CG2-CB 4.07Å |
| 305 | E | 87.3 | Confident | 82.4 | Confident | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 174.4 | -72.3 | 171.6 | 172 | 0 | 0 | 111.2 | K301 R302 L307 G308 Y310 | K301-E305 WeakPolarHBondContact CE-OE1 3.34Å; K301-E305 HydrophobicContact CG-CG 4.49Å; K301-E305 WeakPolarHBondContact O-CG 3.15Å; K301-E305 PolarHBondContact O-N 3.28Å; R302-E305 PolarHBondContact O-N 3.26Å; E305-L307 PolarHBondContact O-N 2.81Å; E305-G308 PolarHBondContact O-N 3.47Å; E305-Y310 HydrophobicContact CB-CE1 4.24Å; E305-Y310 PolarHBondContact O-OH 3.2Å; E305-Y310 VanDerWaalsContact O-OH 3.08Å |
| 306 | G | 87.1 | Confident | 81.2 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 71% | 0.711 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.3 | -24.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R302 S303 I304 G308 | R302-G306 PolarHBondContact O-N 3.07Å; S303-G306 PolarHBondContact O-N 3.07Å; I304-G306 VanDerWaalsContact C-N 3.3Å; I304-G306 PolarHBondContact O-N 2.9Å; G306-G308 VanDerWaalsContact C-N 3.34Å |
| 307 | L | 85.8 | Confident | 80.3 | Confident | 104 Ų | 104 | 72.7 Ų | 72.7 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.7 | 175.7 | -67.5 | 173.2 | 0 | 0 | 0 | 113.3 | A44 S303 I304 E305 L309 | A44-L307 HydrophobicContact CB-CD1 3.94Å; S303-L307 WeakPolarHBondContact O-CG 3.3Å; S303-L307 PolarHBondContact O-N 3.19Å; I304-L307 PolarHBondContact O-N 2.85Å; I304-L307 VanDerWaalsContact O-N 3.11Å; E305-L307 PolarHBondContact O-N 2.81Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-L309 HydrophobicContact CB-CD1 4.43Å; L307-L309 HydrophobicContact CB-CG 4.35Å |
| 308 | G | 83.2 | Confident | 80.1 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 42% | 0.423 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 14.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I304 E305 G306 Y310 | I304-G308 PolarHBondContact O-N 2.99Å; E305-G308 PolarHBondContact O-N 3.47Å; G306-G308 VanDerWaalsContact C-N 3.34Å; G308-Y310 VanDerWaalsContact C-N 3.27Å; G308-Y310 VanDerWaalsContact O-CD2 3.29Å; G308-Y310 WeakPolarHBondContact O-CD2 3.28Å; G308-Y310 PolarHBondContact O-N 2.87Å |
| 309 | L | 78.5 | Confident | 80.1 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.199 | 37% | 0.374 | C | S | . | . | trans | -84.5 | 67.4 | 178.3 | -69.1 | 177.4 | 0 | 0 | 0 | 110.3 | D37 A44 I304 L307 | D37-L309 HydrophobicContact CB-CD2 4.44Å; A44-L309 HydrophobicContact CB-CD1 3.73Å; I304-L309 HydrophobicContact CD1-CD1 4.47Å; I304-L309 HydrophobicContact CG2-CB 3.77Å; I304-L309 PolarHBondContact O-N 3.37Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-L309 HydrophobicContact CB-CD1 4.43Å; L307-L309 HydrophobicContact CB-CG 4.35Å | ||
| 310 | Y | 64.3 | Low | 80.1 | Confident | 167 Ų | 167 | 64.5 Ų | 64.5 | 66% | 0.655 | 36% | 0.359 | S | S | * | . | trans | -85.1 | -31.8 | -173.7 | -59.2 | -71.5 | 0 | 0 | 0 | 114.2 | E305 G308 | E305-Y310 HydrophobicContact CB-CE1 4.24Å; E305-Y310 PolarHBondContact O-OH 3.2Å; E305-Y310 VanDerWaalsContact O-OH 3.08Å; G308-Y310 VanDerWaalsContact C-N 3.27Å; G308-Y310 VanDerWaalsContact O-CD2 3.29Å; G308-Y310 WeakPolarHBondContact O-CD2 3.28Å; G308-Y310 PolarHBondContact O-N 2.87Å | ||
| 311 | D | 61.8 | Low | 80.3 | Confident | 170 Ų | 170 | 64.1 Ų | 64.1 | 91% | 0.909 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -118.2 | 46.7 | -171.1 | -70.4 | -31 | 0 | 0 | 0 | 112.3 | ||
| 312 | C | 66.5 | Low | 80.6 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | trans | -118.1 | 139.9 | 175.3 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | D314 C315 | C312-D314 PolarHBondContact O-N 2.87Å; C312-C315 HydrophobicContact CB-CB 4.16Å; C312-C315 WeakPolarHBondContact CB-SG 3.29Å; C312-C315 VanDerWaalsContact O-CB 3.31Å; C312-C315 WeakPolarHBondContact O-CB 3.43Å; C312-C315 PolarHBondContact O-N 3.22Å; C312-C315 PolarHBondContact O-SG 3.38Å; C312-C315 WeakPolarHBondContact SG-CB 3.29Å; C312-C315 CovalentContact SG-SG 2Å; C312-C315 PolarHBondContact SG-SG 3.37Å | ||
| 313 | N | 66.1 | Low | 80.8 | Confident | 135 Ų | 135 | 53.1 Ų | 53.1 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 135.7 | 178.6 | -70.3 | -12 | 0 | 0 | 0 | 110.4 | R45 C315 | R45-N313 PolarHBondContact NH1-O 3.39Å; R45-N313 VanDerWaalsContact NH1-O 3.11Å; R45-N313 PolarHBondContact NH2-O 3.14Å; N313-C315 PolarHBondContact O-N 3.32Å; N313-C315 VanDerWaalsContact O-N 3.09Å |
| 314 | D | 72.3 | Confident | 81.1 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 12.2 | 179.7 | -65.6 | -55.9 | 0 | 0 | 0 | 116 | L40 S256 S257 C312 G316 N317 | L40-D314 HydrophobicContact CD2-CB 3.83Å; S256-D314 VanDerWaalsContact CB-OD1 3.28Å; S256-D314 WeakPolarHBondContact CB-OD1 3.28Å; S256-D314 VanDerWaalsContact N-CG 3.33Å; S256-D314 PolarHBondContact N-OD1 2.92Å; S256-D314 PolarHBondContact N-OD2 2.84Å; S256-D314 PolarHBondContact OG-OD1 3.33Å; S256-D314 PolarHBondContact OG-OD2 3.36Å; S257-D314 PolarHBondContact N-OD2 3.47Å; S257-D314 VanDerWaalsContact N-OD2 3.07Å; C312-D314 PolarHBondContact O-N 2.87Å; D314-G316 VanDerWaalsContact C-N 3.31Å; D314-G316 PolarHBondContact O-N 2.65Å; D314-N317 PolarHBondContact O-N 3.47Å |
| 315 | C | 67.8 | Low | 81.7 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.4 | -178.6 | -74.4 | 0 | 0 | 0 | 0 | 114.4 | R45 I304 C312 N313 N317 | R45-C315 PolarHBondContact NH2-SG 2.87Å; I304-C315 HydrophobicContact CG2-CB 4.07Å; C312-C315 HydrophobicContact CB-CB 4.16Å; C312-C315 WeakPolarHBondContact CB-SG 3.29Å; C312-C315 VanDerWaalsContact O-CB 3.31Å; C312-C315 WeakPolarHBondContact O-CB 3.43Å; C312-C315 PolarHBondContact O-N 3.22Å; C312-C315 PolarHBondContact O-SG 3.38Å; C312-C315 WeakPolarHBondContact SG-CB 3.29Å; C312-C315 CovalentContact SG-SG 2Å; C312-C315 PolarHBondContact SG-SG 3.37Å; N313-C315 PolarHBondContact O-N 3.32Å; N313-C315 VanDerWaalsContact O-N 3.09Å; C315-N317 VanDerWaalsContact C-N 3.34Å |
| 316 | G | 65.4 | Low | 82.2 | Confident | 53 Ų | 53 | 47 Ų | 47 | 55% | 0.546 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | D314 | D314-G316 VanDerWaalsContact C-N 3.31Å; D314-G316 PolarHBondContact O-N 2.65Å |
| 317 | N | 75.6 | Confident | 82.7 | Confident | 94 Ų | 94 | 43.7 Ų | 43.7 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -113.5 | 132.9 | -172.5 | -68.6 | -27.9 | 0 | 0 | 0 | 111.1 | D314 C315 N319 | D314-N317 PolarHBondContact O-N 3.47Å; C315-N317 VanDerWaalsContact C-N 3.34Å; N317-N319 PolarHBondContact O-N 2.98Å |
| 318 | V | 86.9 | Confident | 83.3 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | trans | -71.9 | 114 | 167.6 | 173.5 | 0 | 0 | 0 | 0 | 108.2 | R287 Y293 F296 M300 V322 | R287-V318 PolarHBondContact NH1-O 2.77Å; Y293-V318 HydrophobicContact CE2-CG1 4.24Å; Y293-V318 VanDerWaalsContact OH-CB 3.29Å; Y293-V318 WeakPolarHBondContact OH-CB 3.29Å; Y293-V318 VanDerWaalsContact OH-CG1 3.28Å; Y293-V318 WeakPolarHBondContact OH-CG1 3.19Å; F296-V318 HydrophobicContact CD1-CG1 4.4Å; F296-V318 HydrophobicContact CD1-CG2 4.43Å; F296-V318 HydrophobicContact CE1-CG1 3.76Å; F296-V318 HydrophobicContact CE1-CG2 4.26Å; M300-V318 HydrophobicContact CB-CG2 3.98Å; M300-V318 HydrophobicContact CG-CG2 4Å; V318-V322 HydrophobicContact CG1-CB 4.12Å; V318-V322 HydrophobicContact CG1-CG1 4.05Å | ||
| 319 | N | 91.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | trans | -92.7 | 173.7 | 174.8 | 67.1 | 52.5 | 0 | 0 | 0 | 111.4 | L40 F253 N317 F321 V322 E323 | L40-N319 PolarHBondContact O-ND2 3.16Å; F253-N319 WeakPolarHBondContact O-CB 3.33Å; N317-N319 PolarHBondContact O-N 2.98Å; N319-F321 VanDerWaalsContact C-N 3.25Å; N319-F321 PolarHBondContact O-N 2.77Å; N319-F321 WeakPolarHBondContact OD1-CB 3.45Å; N319-F321 WeakPolarHBondContact OD1-CD2 3.36Å; N319-F321 PolarHBondContact OD1-N 3.4Å; N319-V322 PolarHBondContact O-N 3.22Å; N319-V322 PolarHBondContact OD1-N 3.14Å; N319-E323 PolarHBondContact O-N 2.71Å | ||
| 320 | M | 93.1 | Very high | 85 | Confident | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.9 | -36.6 | -178.3 | -175.9 | -173 | 72.6 | 0 | 0 | 113.8 | L124 A142 F253 L285 G324 | L124-M320 HydrophobicContact CD1-CE 3.9Å; A142-M320 HydrophobicContact CB-CE 3.48Å; A142-M320 VanDerWaalsContact CB-CE 3.48Å; A142-M320 HydrophobicContact CB-CG 4.13Å; A142-M320 HydrophobicContact CB-SD 3.62Å; F253-M320 HydrophobicContact CD1-CE 3.91Å; F253-M320 HydrophobicContact CE1-CE 4.45Å; F253-M320 PolarHBondContact O-N 3.46Å; F253-M320 VanDerWaalsContact O-N 3.13Å; L285-M320 HydrophobicContact CD1-CB 3.69Å; L285-M320 HydrophobicContact CD1-CG 3.66Å; L285-M320 HydrophobicContact CD1-SD 3.43Å; L285-M320 WeakPolarHBondContact CD1-SD 3.29Å; L285-M320 HydrophobicContact CD2-SD 4.47Å; M320-G324 PolarHBondContact O-N 3.35Å |
| 321 | F | 95.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.6 | -39.8 | -176.6 | -53.6 | -72.9 | 0 | 0 | 0 | 111.9 | L40 F41 V46 V99 A121 F253 N319 G324 F325 | L40-F321 HydrophobicContact CB-CD2 4Å; L40-F321 HydrophobicContact CB-CE2 4.07Å; L40-F321 HydrophobicContact CD1-CE2 4.44Å; F41-F321 HydrophobicContact CB-CB 3.76Å; F41-F321 HydrophobicContact CB-CD1 4.24Å; F41-F321 HydrophobicContact CB-CD2 3.99Å; F41-F321 HydrophobicContact CB-CG 3.74Å; F41-F321 HydrophobicContact CD1-CD1 4.24Å; F41-F321 AromaticContact CD1-CD2 3.75Å; F41-F321 HydrophobicContact CD1-CD2 3.75Å; F41-F321 HydrophobicContact CD1-CE1 4.1Å; F41-F321 AromaticContact CD1-CE2 3.59Å; F41-F321 HydrophobicContact CD1-CE2 3.59Å; F41-F321 HydrophobicContact CD1-CG 4.07Å; F41-F321 AromaticContact CD1-CZ 3.76Å; F41-F321 HydrophobicContact CD1-CZ 3.76Å; F41-F321 HydrophobicContact CE1-CE2 4.26Å; F41-F321 HydrophobicContact CE1-CZ 4.17Å; F41-F321 HydrophobicContact CG-CD2 4.37Å; F41-F321 HydrophobicContact CG-CG 4.34Å; V46-F321 HydrophobicContact CG2-CB 4.49Å; V99-F321 HydrophobicContact CG1-CD1 3.85Å; V99-F321 HydrophobicContact CG1-CE1 3.5Å; V99-F321 HydrophobicContact CG1-CZ 4.21Å; A121-F321 HydrophobicContact CB-CD1 4.06Å; A121-F321 VanDerWaalsContact O-CD1 3.29Å; A121-F321 WeakPolarHBondContact O-CD1 3.5Å; A121-F321 VanDerWaalsContact O-CE1 3.29Å; A121-F321 WeakPolarHBondContact O-CE1 3.19Å; F253-F321 HydrophobicContact CB-CE2 3.77Å; F253-F321 HydrophobicContact CB-CZ 4.35Å; F253-F321 HydrophobicContact CD1-CE1 4.38Å; F253-F321 AromaticContact CD1-CE2 3.78Å; F253-F321 HydrophobicContact CD1-CE2 3.78Å; F253-F321 AromaticContact CD1-CZ 3.44Å; F253-F321 HydrophobicContact CD1-CZ 3.44Å; F253-F321 VanDerWaalsContact CD1-CZ 3.44Å; F253-F321 AromaticContact CD2-CE2 3.87Å; F253-F321 HydrophobicContact CD2-CE2 3.87Å; F253-F321 HydrophobicContact CD2-CZ 4.07Å; F253-F321 HydrophobicContact CE1-CE1 4.5Å; F253-F321 HydrophobicContact CE1-CE2 4.34Å; F253-F321 AromaticContact CE1-CZ 3.64Å; F253-F321 HydrophobicContact CE1-CZ 3.64Å; F253-F321 HydrophobicContact CE2-CE2 4.4Å; F253-F321 HydrophobicContact CE2-CZ 4.22Å; F253-F321 AromaticContact CG-CE2 3.51Å; F253-F321 HydrophobicContact CG-CE2 3.51Å; F253-F321 AromaticContact CG-CZ 3.68Å; F253-F321 HydrophobicContact CG-CZ 3.68Å; F253-F321 HydrophobicContact CZ-CZ 4.02Å; N319-F321 VanDerWaalsContact C-N 3.25Å; N319-F321 PolarHBondContact O-N 2.77Å; N319-F321 WeakPolarHBondContact OD1-CB 3.45Å; N319-F321 WeakPolarHBondContact OD1-CD2 3.36Å; N319-F321 PolarHBondContact OD1-N 3.4Å; F321-G324 PolarHBondContact O-N 3.48Å; F321-F325 VanDerWaalsContact O-CD2 3.26Å; F321-F325 WeakPolarHBondContact O-CD2 3.5Å; F321-F325 PolarHBondContact O-N 3.17Å |
| 322 | V | 95.6 | Very high | 88.4 | Confident | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | V46 A49 F296 M300 V318 N319 H326 | V46-V322 HydrophobicContact CG2-CG2 4.31Å; A49-V322 HydrophobicContact CB-CG1 3.73Å; A49-V322 VanDerWaalsContact CB-O 3.27Å; A49-V322 WeakPolarHBondContact CB-O 3.21Å; F296-V322 HydrophobicContact CE1-CG1 4.21Å; F296-V322 HydrophobicContact CZ-CG1 3.92Å; M300-V322 HydrophobicContact CG-CG1 3.96Å; M300-V322 HydrophobicContact SD-CG1 3.96Å; V318-V322 HydrophobicContact CG1-CB 4.12Å; V318-V322 HydrophobicContact CG1-CG1 4.05Å; N319-V322 PolarHBondContact O-N 3.22Å; N319-V322 PolarHBondContact OD1-N 3.14Å; V322-H326 PolarHBondContact O-N 3Å |
| 323 | E | 95 | Very high | 89.9 | Confident | 17 Ų | 17 | 17.2 Ų | 17.2 | 8% | 0.079 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -51.3 | 171.6 | 179.5 | -168.4 | 133.8 | 0 | 0 | 111.4 | N319 F325 H326 D327 I364 A365 R376 | N319-E323 PolarHBondContact O-N 2.71Å; E323-F325 VanDerWaalsContact C-N 3.35Å; E323-F325 PolarHBondContact O-N 3.24Å; E323-H326 WeakPolarHBondContact O-CB 3.48Å; E323-H326 PolarHBondContact O-N 3.37Å; E323-D327 PolarHBondContact O-N 3.23Å; E323-I364 HydrophobicContact CB-CG2 4.45Å; E323-I364 HydrophobicContact CG-CG2 3.81Å; E323-A365 HydrophobicContact CG-CB 3.88Å; E323-A365 WeakPolarHBondContact OE2-CB 3.35Å; E323-R376 IonicContact OE1-CZ 3.33Å; E323-R376 IonicContact OE1-NH1 3.58Å; E323-R376 PolarHBondContact OE1-NH1 3.42Å; E323-R376 VanDerWaalsContact OE1-NH1 3.17Å; E323-R376 IonicContact OE1-NH2 2.72Å; E323-R376 PolarHBondContact OE1-NH2 2.94Å |
| 324 | G | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I141 M320 F321 D327 A328 | I141-G324 WeakPolarHBondContact CG1-O 3.11Å; I141-G324 VanDerWaalsContact CG2-O 3.23Å; I141-G324 WeakPolarHBondContact CG2-O 3.14Å; M320-G324 PolarHBondContact O-N 3.35Å; F321-G324 PolarHBondContact O-N 3.48Å; G324-D327 PolarHBondContact O-N 3.33Å; G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 2.96Å |
| 325 | F | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -75.1 | -27 | 178.9 | -81.6 | -63.2 | 0 | 0 | 0 | 114.1 | L33 V46 I50 L96 V99 A121 F321 E323 | L33-F325 HydrophobicContact CD2-CD2 4.43Å; L33-F325 HydrophobicContact CD2-CE2 3.79Å; L33-F325 HydrophobicContact CD2-CZ 4.03Å; V46-F325 HydrophobicContact CB-CD2 4.42Å; V46-F325 HydrophobicContact CG1-CB 3.57Å; V46-F325 HydrophobicContact CG1-CD2 3.39Å; V46-F325 HydrophobicContact CG1-CE2 4.21Å; V46-F325 HydrophobicContact CG1-CG 3.63Å; V46-F325 HydrophobicContact CG2-CD2 4.13Å; I50-F325 HydrophobicContact CD1-CB 4.16Å; I50-F325 HydrophobicContact CD1-CD1 4.48Å; I50-F325 HydrophobicContact CD1-CG 4.47Å; I50-F325 HydrophobicContact CG1-CB 3.9Å; L96-F325 HydrophobicContact CB-CD1 4.15Å; L96-F325 HydrophobicContact CB-CE1 3.99Å; V99-F325 HydrophobicContact CG2-CE2 3.58Å; V99-F325 HydrophobicContact CG2-CZ 3.68Å; A121-F325 HydrophobicContact CB-CD2 3.94Å; A121-F325 HydrophobicContact CB-CE2 3.85Å; A121-F325 HydrophobicContact CB-CG 4.42Å; A121-F325 HydrophobicContact CB-CZ 4.22Å; F321-F325 VanDerWaalsContact O-CD2 3.26Å; F321-F325 WeakPolarHBondContact O-CD2 3.5Å; F321-F325 PolarHBondContact O-N 3.17Å; E323-F325 VanDerWaalsContact C-N 3.35Å; E323-F325 PolarHBondContact O-N 3.24Å |
| 326 | H | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.9 | -53.5 | 165 | 167.5 | -75.8 | 0 | 0 | 0 | 109.6 | A49 Y52 A53 F296 V322 E323 A328 L329 V330 | A49-H326 HydrophobicContact CB-CB 4.24Å; Y52-H326 AromaticContact CD1-CD2 3.77Å; Y52-H326 AromaticContact CD1-NE2 3.79Å; A53-H326 HydrophobicContact CB-CB 4.49Å; F296-H326 HydrophobicContact CE2-CB 4.33Å; F296-H326 HydrophobicContact CZ-CB 4.25Å; V322-H326 PolarHBondContact O-N 3Å; E323-H326 WeakPolarHBondContact O-CB 3.48Å; E323-H326 PolarHBondContact O-N 3.37Å; H326-A328 PolarHBondContact O-N 2.94Å; H326-L329 PolarHBondContact O-N 2.85Å; H326-V330 PolarHBondContact O-N 3.08Å |
| 327 | D | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.4 | -23.9 | -175.4 | -69.9 | -10.3 | 0 | 0 | 0 | 112.8 | I141 E323 G324 V330 L331 F361 G363 I364 | I141-D327 HydrophobicContact CD1-CB 4.5Å; I141-D327 HydrophobicContact CG1-CB 4.2Å; E323-D327 PolarHBondContact O-N 3.23Å; G324-D327 PolarHBondContact O-N 3.33Å; D327-V330 PolarHBondContact O-N 2.94Å; D327-L331 WeakPolarHBondContact O-CB 3.49Å; D327-L331 PolarHBondContact O-N 3.43Å; D327-F361 HydrophobicContact CB-CE2 4.2Å; D327-F361 HydrophobicContact CB-CZ 4.1Å; D327-G363 VanDerWaalsContact OD1-CA 3.24Å; D327-G363 WeakPolarHBondContact OD1-CA 3.44Å; D327-G363 WeakPolarHBondContact OD2-CA 3.43Å; D327-I364 PolarHBondContact OD1-N 3.33Å |
| 328 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L96 I119 I141 G324 H326 V330 L331 Y332 | L96-A328 HydrophobicContact CD2-CB 3.87Å; I119-A328 HydrophobicContact CB-CB 4.1Å; I119-A328 HydrophobicContact CD1-CB 4.46Å; I119-A328 VanDerWaalsContact CD1-O 3.3Å; I119-A328 WeakPolarHBondContact CD1-O 3.31Å; I119-A328 HydrophobicContact CG2-CB 3.51Å; I141-A328 HydrophobicContact CG1-CB 4.33Å; I141-A328 HydrophobicContact CG2-CB 4.29Å; G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 2.96Å; H326-A328 PolarHBondContact O-N 2.94Å; A328-V330 VanDerWaalsContact C-N 3.34Å; A328-L331 PolarHBondContact O-N 2.83Å; A328-Y332 PolarHBondContact O-N 3.43Å |
| 329 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -70.5 | -35.2 | 179.8 | -166.2 | 65.7 | 0 | 0 | 0 | 111.1 | I50 A53 Q54 L57 F66 L94 H326 S333 | I50-L329 HydrophobicContact CG2-CD2 4.31Å; A53-L329 HydrophobicContact CB-CB 4.15Å; A53-L329 HydrophobicContact CB-CD2 4.1Å; Q54-L329 HydrophobicContact CB-CD2 3.98Å; L57-L329 HydrophobicContact CD1-CB 4.28Å; L57-L329 HydrophobicContact CD1-CD2 3.9Å; L57-L329 HydrophobicContact CD1-CG 3.69Å; F66-L329 HydrophobicContact CD1-CD1 3.83Å; F66-L329 HydrophobicContact CE1-CD1 3.79Å; F66-L329 HydrophobicContact CG-CD1 4.33Å; F66-L329 HydrophobicContact CZ-CD1 4.27Å; L94-L329 HydrophobicContact CD2-CD1 4.21Å; H326-L329 PolarHBondContact O-N 2.85Å; L329-S333 WeakPolarHBondContact O-CB 3.27Å; L329-S333 PolarHBondContact O-N 2.85Å; L329-S333 PolarHBondContact O-OG 3.11Å |
| 330 | V | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.012 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.8 | -50.8 | 172.5 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | H326 D327 A328 Y332 S333 I334 F361 | H326-V330 PolarHBondContact O-N 3.08Å; D327-V330 PolarHBondContact O-N 2.94Å; A328-V330 VanDerWaalsContact C-N 3.34Å; V330-Y332 PolarHBondContact O-N 3.48Å; V330-S333 PolarHBondContact O-N 3.17Å; V330-I334 HydrophobicContact CG1-CD1 3.96Å; V330-I334 VanDerWaalsContact O-CG1 3.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.41Å; V330-I334 PolarHBondContact O-N 3.01Å; V330-I334 VanDerWaalsContact O-N 3.07Å; V330-F361 HydrophobicContact CB-CE2 4.22Å; V330-F361 HydrophobicContact CG1-CD2 3.91Å; V330-F361 HydrophobicContact CG1-CE2 3.93Å |
| 331 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.7 | -49.1 | 178.5 | 175.9 | 56.8 | 0 | 0 | 0 | 112 | T139 I141 D327 A328 S333 I334 A335 M356 R359 F361 I370 | T139-L331 HydrophobicContact CG2-CD2 3.95Å; I141-L331 HydrophobicContact CD1-CB 4.42Å; I141-L331 HydrophobicContact CD1-CD2 3.67Å; D327-L331 WeakPolarHBondContact O-CB 3.49Å; D327-L331 PolarHBondContact O-N 3.43Å; A328-L331 PolarHBondContact O-N 2.83Å; L331-S333 VanDerWaalsContact C-N 3.33Å; L331-S333 PolarHBondContact O-N 3.22Å; L331-I334 PolarHBondContact O-N 3.45Å; L331-A335 PolarHBondContact O-N 2.82Å; L331-M356 HydrophobicContact CD1-CB 4.07Å; L331-M356 HydrophobicContact CD1-CG 4.13Å; L331-M356 HydrophobicContact CD2-CB 4.17Å; L331-M356 HydrophobicContact CD2-CG 4.38Å; L331-M356 HydrophobicContact CD2-SD 4.25Å; L331-M356 HydrophobicContact CG-CB 4.08Å; L331-M356 HydrophobicContact CG-CG 3.89Å; L331-M356 HydrophobicContact CG-SD 3.98Å; L331-R359 HydrophobicContact CD1-CG 4.41Å; L331-F361 HydrophobicContact CB-CE1 3.98Å; L331-F361 HydrophobicContact CB-CE2 4.41Å; L331-F361 HydrophobicContact CB-CZ 3.83Å; L331-F361 HydrophobicContact CD1-CD1 4.03Å; L331-F361 HydrophobicContact CD1-CE1 3.89Å; L331-F361 HydrophobicContact CD2-CE1 4.29Å; L331-F361 HydrophobicContact CG-CE1 4.26Å; L331-I370 HydrophobicContact CD2-CD1 4.3Å; L331-I370 HydrophobicContact CD2-CG1 3.92Å |
| 332 | Y | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 177.5 | 177.8 | -98.1 | 0 | 0 | 0 | 112 | I27 F66 L94 A328 V330 I334 A335 L336 I352 | I27-Y332 HydrophobicContact CD1-CE1 4.39Å; I27-Y332 HydrophobicContact CG2-CE1 3.75Å; F66-Y332 AromaticContact CE1-CD1 3.9Å; F66-Y332 HydrophobicContact CE1-CD1 3.9Å; F66-Y332 AromaticContact CE1-CE1 3.98Å; F66-Y332 HydrophobicContact CE1-CE1 3.98Å; F66-Y332 HydrophobicContact CZ-CD1 4.5Å; L94-Y332 HydrophobicContact CB-CD2 4.27Å; L94-Y332 HydrophobicContact CB-CE2 3.93Å; L94-Y332 HydrophobicContact CD1-CD2 3.67Å; L94-Y332 HydrophobicContact CD1-CE2 4.07Å; L94-Y332 HydrophobicContact CD1-CG 4.2Å; L94-Y332 HydrophobicContact CD2-CD1 3.84Å; L94-Y332 HydrophobicContact CD2-CD2 3.9Å; L94-Y332 HydrophobicContact CD2-CE1 4.31Å; L94-Y332 HydrophobicContact CD2-CE2 4.34Å; L94-Y332 HydrophobicContact CD2-CG 3.6Å; L94-Y332 HydrophobicContact CG-CD2 4.15Å; L94-Y332 HydrophobicContact CG-CE2 4.33Å; L94-Y332 HydrophobicContact CG-CG 4.36Å; A328-Y332 PolarHBondContact O-N 3.43Å; V330-Y332 PolarHBondContact O-N 3.48Å; Y332-I334 VanDerWaalsContact C-N 3.32Å; Y332-I334 PolarHBondContact O-N 2.94Å; Y332-A335 PolarHBondContact O-N 3Å; Y332-L336 HydrophobicContact CE1-CB 4.2Å; Y332-L336 HydrophobicContact CE1-CD2 3.75Å; Y332-L336 WeakPolarHBondContact O-CB 3.29Å; Y332-L336 PolarHBondContact O-N 2.93Å; Y332-I352 HydrophobicContact CD2-CG2 4Å; Y332-I352 HydrophobicContact CE2-CG2 3.76Å |
| 333 | S | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | L57 F64 F66 L329 V330 L331 H337 | L57-S333 VanDerWaalsContact CD1-OG 3.32Å; L57-S333 WeakPolarHBondContact CD1-OG 3.36Å; F64-S333 WeakPolarHBondContact CE2-O 3.21Å; F66-S333 VanDerWaalsContact CZ-OG 3.23Å; F66-S333 WeakPolarHBondContact CZ-OG 3.28Å; L329-S333 WeakPolarHBondContact O-CB 3.27Å; L329-S333 PolarHBondContact O-N 2.85Å; L329-S333 PolarHBondContact O-OG 3.11Å; V330-S333 PolarHBondContact O-N 3.17Å; L331-S333 VanDerWaalsContact C-N 3.33Å; L331-S333 PolarHBondContact O-N 3.22Å; S333-H337 WeakPolarHBondContact O-CB 3.13Å; S333-H337 PolarHBondContact O-N 2.94Å |
| 334 | I | 98.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 12% | 0.123 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 177.9 | -55.3 | 158 | 0 | 0 | 0 | 110.4 | Y61 V330 L331 Y332 L336 H337 E338 F361 | Y61-I334 WeakPolarHBondContact OH-CG1 3.25Å; V330-I334 HydrophobicContact CG1-CD1 3.96Å; V330-I334 VanDerWaalsContact O-CG1 3.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.41Å; V330-I334 PolarHBondContact O-N 3.01Å; V330-I334 VanDerWaalsContact O-N 3.07Å; L331-I334 PolarHBondContact O-N 3.45Å; Y332-I334 VanDerWaalsContact C-N 3.32Å; Y332-I334 PolarHBondContact O-N 2.94Å; I334-L336 PolarHBondContact O-N 2.84Å; I334-H337 PolarHBondContact O-N 3.34Å; I334-E338 WeakPolarHBondContact O-CG 3.46Å; I334-E338 PolarHBondContact O-N 3.21Å; I334-F361 HydrophobicContact CD1-CB 3.81Å; I334-F361 HydrophobicContact CD1-CD2 4.02Å; I334-F361 HydrophobicContact CD1-CG 4.05Å |
| 335 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L331 Y332 E338 G339 I352 H355 M356 | L331-A335 PolarHBondContact O-N 2.82Å; Y332-A335 PolarHBondContact O-N 3Å; A335-E338 PolarHBondContact O-N 3.13Å; A335-G339 PolarHBondContact O-N 3.22Å; A335-I352 HydrophobicContact CB-CG2 4.2Å; A335-H355 HydrophobicContact CB-CB 3.77Å; A335-M356 HydrophobicContact CB-CB 4.45Å; A335-M356 HydrophobicContact CB-CG 3.4Å; A335-M356 VanDerWaalsContact CB-CG 3.4Å |
| 336 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 175.8 | 179.8 | 61.2 | 0 | 0 | 0 | 111.3 | I27 F64 Y332 I334 E338 G339 M340 K346 I352 | I27-L336 HydrophobicContact CD1-CD2 3.4Å; I27-L336 VanDerWaalsContact CD1-CD2 3.4Å; I27-L336 HydrophobicContact CG1-CD2 3.97Å; F64-L336 HydrophobicContact CD1-CD2 4.41Å; F64-L336 HydrophobicContact CD2-CD2 4.37Å; F64-L336 HydrophobicContact CE1-CD2 4.05Å; F64-L336 HydrophobicContact CE1-CG 4.27Å; F64-L336 HydrophobicContact CE2-CB 4.17Å; F64-L336 HydrophobicContact CE2-CD2 4.01Å; F64-L336 HydrophobicContact CE2-CG 4.14Å; F64-L336 HydrophobicContact CZ-CB 4.17Å; F64-L336 HydrophobicContact CZ-CD2 3.83Å; F64-L336 HydrophobicContact CZ-CG 3.74Å; Y332-L336 HydrophobicContact CE1-CB 4.2Å; Y332-L336 HydrophobicContact CE1-CD2 3.75Å; Y332-L336 WeakPolarHBondContact O-CB 3.29Å; Y332-L336 PolarHBondContact O-N 2.93Å; I334-L336 PolarHBondContact O-N 2.84Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3.22Å; L336-G339 PolarHBondContact O-N 2.81Å; L336-M340 HydrophobicContact CD1-CG 4.02Å; L336-M340 HydrophobicContact CD1-SD 4.15Å; L336-M340 HydrophobicContact CG-CG 4.36Å; L336-M340 HydrophobicContact CG-SD 4.1Å; L336-M340 WeakPolarHBondContact O-CB 3.47Å; L336-M340 VanDerWaalsContact O-CG 3.25Å; L336-M340 WeakPolarHBondContact O-CG 3.47Å; L336-M340 PolarHBondContact O-N 3.09Å; L336-K346 HydrophobicContact CD1-CB 3.83Å; L336-I352 HydrophobicContact CD1-CD1 3.96Å; L336-I352 HydrophobicContact CD1-CG1 4.37Å |
| 337 | H | 97.2 | Very high | 97.1 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.1 | -43 | 178.7 | 180 | 68.7 | 0 | 0 | 0 | 112.7 | Y61 F64 S333 I334 K341 | Y61-H337 HydrophobicContact CD1-CB 3.93Å; Y61-H337 AromaticContact CD1-CG 3.95Å; Y61-H337 HydrophobicContact CE1-CB 3.65Å; Y61-H337 AromaticContact CE1-CD2 3.7Å; Y61-H337 AromaticContact CE1-CG 3.69Å; F64-H337 HydrophobicContact CE2-CB 4.03Å; F64-H337 HydrophobicContact CZ-CB 3.92Å; S333-H337 WeakPolarHBondContact O-CB 3.13Å; S333-H337 PolarHBondContact O-N 2.94Å; I334-H337 PolarHBondContact O-N 3.34Å; H337-K341 VanDerWaalsContact NE2-CE 3.32Å; H337-K341 WeakPolarHBondContact NE2-CE 3.46Å; H337-K341 PolarHBondContact NE2-NZ 2.74Å; H337-K341 WeakPolarHBondContact O-CG 3.39Å; H337-K341 PolarHBondContact O-N 2.6Å; H337-K341 VanDerWaalsContact O-N 3.12Å |
| 338 | E | 96.3 | Very high | 97 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 175 | -71.6 | 177 | -166.9 | 0 | 0 | 111.8 | I334 A335 L336 M340 K341 N342 H355 R359 | I334-E338 WeakPolarHBondContact O-CG 3.46Å; I334-E338 PolarHBondContact O-N 3.21Å; A335-E338 PolarHBondContact O-N 3.13Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3.22Å; E338-M340 VanDerWaalsContact C-N 3.33Å; E338-M340 PolarHBondContact O-N 3.19Å; E338-K341 WeakPolarHBondContact O-CB 3.5Å; E338-K341 PolarHBondContact O-N 2.86Å; E338-N342 PolarHBondContact O-N 2.97Å; E338-N342 PolarHBondContact O-ND2 3.07Å; E338-H355 IonicContact OE2-ND1 3.11Å; E338-R359 IonicContact OE1-NH2 2.73Å; E338-R359 PolarHBondContact OE1-NH2 3.24Å; E338-R359 IonicContact OE2-NH2 2.77Å |
| 339 | G | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A335 L336 K341 N342 G343 Y344 | A335-G339 PolarHBondContact O-N 3.22Å; L336-G339 PolarHBondContact O-N 2.81Å; G339-K341 PolarHBondContact O-N 2.95Å; G339-N342 CarbonylContact O-C 3.54Å; G339-N342 WeakPolarHBondContact O-CA 3.35Å; G339-N342 WeakPolarHBondContact O-CB 3.47Å; G339-N342 PolarHBondContact O-N 3.41Å; G339-G343 PolarHBondContact O-N 3.46Å; G339-Y344 WeakPolarHBondContact O-CB 3.35Å; G339-Y344 WeakPolarHBondContact O-CD2 3.27Å; G339-Y344 PolarHBondContact O-N 3.34Å |
| 340 | M | 95.4 | Very high | 97 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -36.1 | 178.3 | -71.1 | -173.3 | 79.7 | 0 | 0 | 113.4 | F23 E25 F64 L336 E338 N342 G343 Y344 | F23-M340 HydrophobicContact CB-CE 3.67Å; F23-M340 HydrophobicContact CD1-CE 3.59Å; F23-M340 HydrophobicContact CD2-CE 4.48Å; F23-M340 HydrophobicContact CE1-CE 4.34Å; F23-M340 HydrophobicContact CG-CE 3.68Å; E25-M340 HydrophobicContact CG-CE 3.37Å; E25-M340 HydrophobicContact CG-SD 3.68Å; E25-M340 WeakPolarHBondContact OE1-CE 3.47Å; F64-M340 HydrophobicContact CE1-SD 3.73Å; F64-M340 HydrophobicContact CZ-SD 4.13Å; L336-M340 HydrophobicContact CD1-CG 4.02Å; L336-M340 HydrophobicContact CD1-SD 4.15Å; L336-M340 HydrophobicContact CG-CG 4.36Å; L336-M340 HydrophobicContact CG-SD 4.1Å; L336-M340 WeakPolarHBondContact O-CB 3.47Å; L336-M340 VanDerWaalsContact O-CG 3.25Å; L336-M340 WeakPolarHBondContact O-CG 3.47Å; L336-M340 PolarHBondContact O-N 3.09Å; E338-M340 VanDerWaalsContact C-N 3.33Å; E338-M340 PolarHBondContact O-N 3.19Å; M340-N342 PolarHBondContact O-N 3.22Å; M340-G343 PolarHBondContact O-N 3.03Å; M340-G343 VanDerWaalsContact O-N 3.08Å; M340-Y344 WeakPolarHBondContact CA-O 3.18Å |
| 341 | K | 94.8 | Very high | 97 | Very high | 140 Ų | 140 | 44.6 Ų | 44.6 | 61% | 0.609 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.3 | -28.2 | 171.1 | -77.1 | 177.1 | 175.3 | 176.6 | 0 | 112.6 | H337 E338 G339 G343 | H337-K341 VanDerWaalsContact NE2-CE 3.32Å; H337-K341 WeakPolarHBondContact NE2-CE 3.46Å; H337-K341 PolarHBondContact NE2-NZ 2.74Å; H337-K341 WeakPolarHBondContact O-CG 3.39Å; H337-K341 PolarHBondContact O-N 2.6Å; H337-K341 VanDerWaalsContact O-N 3.12Å; E338-K341 WeakPolarHBondContact O-CB 3.5Å; E338-K341 PolarHBondContact O-N 2.86Å; G339-K341 PolarHBondContact O-N 2.95Å; K341-G343 VanDerWaalsContact C-N 3.33Å |
| 342 | N | 95.1 | Very high | 96.9 | Very high | 105 Ų | 105 | 44.6 Ų | 44.6 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7 | 177.5 | -63.4 | -27.9 | 0 | 0 | 0 | 113.4 | E338 G339 M340 Y344 H355 | E338-N342 PolarHBondContact O-N 2.97Å; E338-N342 PolarHBondContact O-ND2 3.07Å; G339-N342 CarbonylContact O-C 3.54Å; G339-N342 WeakPolarHBondContact O-CA 3.35Å; G339-N342 WeakPolarHBondContact O-CB 3.47Å; G339-N342 PolarHBondContact O-N 3.41Å; M340-N342 PolarHBondContact O-N 3.22Å; N342-Y344 HydrophobicContact CB-CD2 4.03Å; N342-Y344 HydrophobicContact CB-CE2 4.1Å; N342-H355 PolarHBondContact ND2-CE1 3.17Å |
| 343 | G | 95.2 | Very high | 96.9 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 70% | 0.701 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 10.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | G339 M340 K341 | G339-G343 PolarHBondContact O-N 3.46Å; M340-G343 PolarHBondContact O-N 3.03Å; M340-G343 VanDerWaalsContact O-N 3.08Å; K341-G343 VanDerWaalsContact C-N 3.33Å |
| 344 | Y | 96.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | trans | -85.1 | 158.8 | 171.6 | -57.5 | -59 | 0 | 0 | 0 | 111.7 | G339 M340 N342 N348 E351 | G339-Y344 WeakPolarHBondContact O-CB 3.35Å; G339-Y344 WeakPolarHBondContact O-CD2 3.27Å; G339-Y344 PolarHBondContact O-N 3.34Å; M340-Y344 WeakPolarHBondContact CA-O 3.18Å; N342-Y344 HydrophobicContact CB-CD2 4.03Å; N342-Y344 HydrophobicContact CB-CE2 4.1Å; Y344-N348 HydrophobicContact CD1-CB 4.39Å; Y344-E351 HydrophobicContact CD1-CB 4.29Å; Y344-E351 HydrophobicContact CD1-CG 3.79Å; Y344-E351 HydrophobicContact CD2-CB 3.88Å; Y344-E351 HydrophobicContact CD2-CG 4.11Å; Y344-E351 HydrophobicContact CE1-CB 4.42Å; Y344-E351 HydrophobicContact CE1-CG 3.6Å; Y344-E351 HydrophobicContact CE2-CB 3.98Å; Y344-E351 HydrophobicContact CE2-CG 3.9Å; Y344-E351 VanDerWaalsContact CE2-OE2 3.31Å; Y344-E351 WeakPolarHBondContact CE2-OE2 3.46Å; Y344-E351 HydrophobicContact CG-CB 4.01Å; Y344-E351 HydrophobicContact CG-CG 4.03Å; Y344-E351 VanDerWaalsContact CZ-CD 3.47Å; Y344-E351 VanDerWaalsContact OH-CD 3.31Å; Y344-E351 PolarHBondContact OH-OE2 2.93Å | ||
| 345 | S | 95.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | trans | -106.8 | 169.4 | 171.3 | 72.4 | 0 | 0 | 0 | 0 | 111 | T347 N348 | S345-T347 PolarHBondContact O-N 3.42Å; S345-T347 PolarHBondContact OG-N 3.5Å; S345-T347 PolarHBondContact OG-OG1 2.67Å; S345-N348 PolarHBondContact N-OD1 2.91Å; S345-N348 WeakPolarHBondContact O-CB 3.29Å; S345-N348 PolarHBondContact O-N 3.07Å; S345-N348 PolarHBondContact OG-OD1 2.82Å | ||
| 346 | K | 95.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.4 | 171.1 | 63.2 | -179.1 | -171.5 | 140.1 | 0 | 114.6 | E26 I27 D93 L336 | E26-K346 WeakPolarHBondContact O-CD 3.3Å; E26-K346 VanDerWaalsContact O-CE 3.31Å; E26-K346 WeakPolarHBondContact O-CE 3.42Å; E26-K346 PolarHBondContact O-NZ 3.42Å; I27-K346 HydrophobicContact CG1-CD 4.49Å; D93-K346 HydrophobicContact CB-CB 4.46Å; D93-K346 HydrophobicContact CB-CD 4.42Å; D93-K346 WeakPolarHBondContact OD1-CD 3.23Å; D93-K346 WeakPolarHBondContact OD1-CE 3.38Å; D93-K346 WeakPolarHBondContact OD1-CG 3.37Å; D93-K346 IonicContact OD1-NZ 2.77Å; D93-K346 PolarHBondContact OD1-NZ 3.24Å; D93-K346 IonicContact OD2-NZ 2.68Å; D93-K346 PolarHBondContact OD2-NZ 3.02Å; L336-K346 HydrophobicContact CD1-CB 3.83Å |
| 347 | T | 95.5 | Very high | 96.9 | Very high | 101 Ų | 101 | 51 Ų | 51 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.8 | 177.9 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | S345 G349 | S345-T347 PolarHBondContact O-N 3.42Å; S345-T347 PolarHBondContact OG-N 3.5Å; S345-T347 PolarHBondContact OG-OG1 2.67Å; T347-G349 PolarHBondContact O-N 2.89Å |
| 348 | N | 97.8 | Very high | 97 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | trans | -80.8 | 58.4 | 171.7 | -66.7 | 115 | 0 | 0 | 0 | 111.1 | Y344 S345 T350 E351 I352 | Y344-N348 HydrophobicContact CD1-CB 4.39Å; S345-N348 PolarHBondContact N-OD1 2.91Å; S345-N348 WeakPolarHBondContact O-CB 3.29Å; S345-N348 PolarHBondContact O-N 3.07Å; S345-N348 PolarHBondContact OG-OD1 2.82Å; N348-T350 PolarHBondContact O-N 3.21Å; N348-T350 VanDerWaalsContact O-N 3.11Å; N348-E351 HydrophobicContact CB-CB 4.26Å; N348-E351 HydrophobicContact CB-CG 4.24Å; N348-E351 WeakPolarHBondContact O-CB 3.26Å; N348-E351 PolarHBondContact O-N 2.87Å; N348-I352 PolarHBondContact O-N 3.1Å; N348-I352 VanDerWaalsContact O-N 3.08Å | ||
| 349 | G | 98 | Very high | 97 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -30.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K115 T347 E351 I352 T353 | K115-G349 VanDerWaalsContact O-CA 3.27Å; K115-G349 WeakPolarHBondContact O-CA 3.33Å; T347-G349 PolarHBondContact O-N 2.89Å; G349-E351 PolarHBondContact O-N 2.82Å; G349-I352 PolarHBondContact O-N 3.12Å; G349-T353 WeakPolarHBondContact O-CB 3.36Å; G349-T353 PolarHBondContact O-N 3.28Å; G349-T353 PolarHBondContact O-OG1 3.25Å; G349-T353 VanDerWaalsContact O-OG1 3.07Å |
| 350 | T | 97.8 | Very high | 97 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 172.8 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | H137 N348 S354 | H137-T350 PolarHBondContact NE2-OG1 3.01Å; N348-T350 PolarHBondContact O-N 3.21Å; N348-T350 VanDerWaalsContact O-N 3.11Å; T350-S354 PolarHBondContact O-N 3.01Å |
| 351 | E | 98.3 | Very high | 97.1 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.3 | -43.9 | 179.2 | -59.2 | -65.4 | 141 | 0 | 0 | 110 | Y344 N348 G349 T353 S354 H355 | Y344-E351 HydrophobicContact CD1-CB 4.29Å; Y344-E351 HydrophobicContact CD1-CG 3.79Å; Y344-E351 HydrophobicContact CD2-CB 3.88Å; Y344-E351 HydrophobicContact CD2-CG 4.11Å; Y344-E351 HydrophobicContact CE1-CB 4.42Å; Y344-E351 HydrophobicContact CE1-CG 3.6Å; Y344-E351 HydrophobicContact CE2-CB 3.98Å; Y344-E351 HydrophobicContact CE2-CG 3.9Å; Y344-E351 VanDerWaalsContact CE2-OE2 3.31Å; Y344-E351 WeakPolarHBondContact CE2-OE2 3.46Å; Y344-E351 HydrophobicContact CG-CB 4.01Å; Y344-E351 HydrophobicContact CG-CG 4.03Å; Y344-E351 VanDerWaalsContact CZ-CD 3.47Å; Y344-E351 VanDerWaalsContact OH-CD 3.31Å; Y344-E351 PolarHBondContact OH-OE2 2.93Å; N348-E351 HydrophobicContact CB-CB 4.26Å; N348-E351 HydrophobicContact CB-CG 4.24Å; N348-E351 WeakPolarHBondContact O-CB 3.26Å; N348-E351 PolarHBondContact O-N 2.87Å; G349-E351 PolarHBondContact O-N 2.82Å; E351-T353 VanDerWaalsContact C-N 3.35Å; E351-T353 PolarHBondContact O-N 3.03Å; E351-S354 PolarHBondContact O-N 2.57Å; E351-S354 VanDerWaalsContact O-N 3.14Å; E351-S354 PolarHBondContact O-OG 3.08Å; E351-H355 PolarHBondContact O-CD2 2.89Å; E351-H355 PolarHBondContact O-N 3.47Å |
| 352 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.9 | -55.8 | -45 | 0 | 0 | 0 | 111 | P117 Y332 A335 L336 N348 G349 S354 H355 M356 | P117-I352 HydrophobicContact CG-CB 4.22Å; P117-I352 HydrophobicContact CG-CG2 4.33Å; Y332-I352 HydrophobicContact CD2-CG2 4Å; Y332-I352 HydrophobicContact CE2-CG2 3.76Å; A335-I352 HydrophobicContact CB-CG2 4.2Å; L336-I352 HydrophobicContact CD1-CD1 3.96Å; L336-I352 HydrophobicContact CD1-CG1 4.37Å; N348-I352 PolarHBondContact O-N 3.1Å; N348-I352 VanDerWaalsContact O-N 3.08Å; G349-I352 PolarHBondContact O-N 3.12Å; I352-S354 VanDerWaalsContact C-N 3.35Å; I352-S354 PolarHBondContact O-N 3.03Å; I352-H355 PolarHBondContact O-N 3.4Å; I352-M356 WeakPolarHBondContact O-CG 3.32Å; I352-M356 PolarHBondContact O-N 3.25Å |
| 353 | T | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 173.9 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | G349 E351 H355 M356 W357 | G349-T353 WeakPolarHBondContact O-CB 3.36Å; G349-T353 PolarHBondContact O-N 3.28Å; G349-T353 PolarHBondContact O-OG1 3.25Å; G349-T353 VanDerWaalsContact O-OG1 3.07Å; E351-T353 VanDerWaalsContact C-N 3.35Å; E351-T353 PolarHBondContact O-N 3.03Å; T353-H355 VanDerWaalsContact C-N 3.27Å; T353-H355 PolarHBondContact O-N 2.86Å; T353-M356 HydrophobicContact CG2-CE 4.48Å; T353-M356 WeakPolarHBondContact O-CB 3.46Å; T353-M356 PolarHBondContact O-N 3.42Å; T353-W357 HydrophobicContact CG2-CD2 4.49Å; T353-W357 HydrophobicContact CG2-CZ2 3.62Å; T353-W357 VanDerWaalsContact O-CD1 3.3Å; T353-W357 PolarHBondContact O-N 3.49Å |
| 354 | S | 97.8 | Very high | 96.9 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -35.7 | 178.1 | 78.6 | 0 | 0 | 0 | 0 | 112.7 | T350 E351 I352 M356 W357 | T350-S354 PolarHBondContact O-N 3.01Å; E351-S354 PolarHBondContact O-N 2.57Å; E351-S354 VanDerWaalsContact O-N 3.14Å; E351-S354 PolarHBondContact O-OG 3.08Å; I352-S354 VanDerWaalsContact C-N 3.35Å; I352-S354 PolarHBondContact O-N 3.03Å; S354-M356 PolarHBondContact O-N 3.3Å; S354-W357 PolarHBondContact O-N 3.05Å |
| 355 | H | 98.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.7 | -14.6 | 175.2 | -81.2 | -68.1 | 0 | 0 | 0 | 113.6 | A335 E338 N342 E351 I352 T353 R359 | A335-H355 HydrophobicContact CB-CB 3.77Å; E338-H355 IonicContact OE2-ND1 3.11Å; N342-H355 PolarHBondContact ND2-CE1 3.17Å; E351-H355 PolarHBondContact O-CD2 2.89Å; E351-H355 PolarHBondContact O-N 3.47Å; I352-H355 PolarHBondContact O-N 3.4Å; T353-H355 VanDerWaalsContact C-N 3.27Å; T353-H355 PolarHBondContact O-N 2.86Å; H355-R359 WeakPolarHBondContact O-CD 3.41Å; H355-R359 PolarHBondContact O-NE 3.25Å |
| 356 | M | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -85.4 | -21.3 | 173.5 | -67.6 | -169.3 | -72.1 | 0 | 0 | 113.1 | P117 I119 T139 L331 A335 I352 T353 S354 R359 | P117-M356 HydrophobicContact CB-CE 3.96Å; I119-M356 HydrophobicContact CD1-CE 4.17Å; I119-M356 HydrophobicContact CD1-SD 3.35Å; I119-M356 WeakPolarHBondContact CD1-SD 3.28Å; I119-M356 HydrophobicContact CG1-CE 3.98Å; I119-M356 HydrophobicContact CG1-SD 3.77Å; T139-M356 HydrophobicContact CG2-CB 4.37Å; T139-M356 WeakPolarHBondContact OG1-CE 3.31Å; L331-M356 HydrophobicContact CD1-CB 4.07Å; L331-M356 HydrophobicContact CD1-CG 4.13Å; L331-M356 HydrophobicContact CD2-CB 4.17Å; L331-M356 HydrophobicContact CD2-CG 4.38Å; L331-M356 HydrophobicContact CD2-SD 4.25Å; L331-M356 HydrophobicContact CG-CB 4.08Å; L331-M356 HydrophobicContact CG-CG 3.89Å; L331-M356 HydrophobicContact CG-SD 3.98Å; A335-M356 HydrophobicContact CB-CB 4.45Å; A335-M356 HydrophobicContact CB-CG 3.4Å; A335-M356 VanDerWaalsContact CB-CG 3.4Å; I352-M356 WeakPolarHBondContact O-CG 3.32Å; I352-M356 PolarHBondContact O-N 3.25Å; T353-M356 HydrophobicContact CG2-CE 4.48Å; T353-M356 WeakPolarHBondContact O-CB 3.46Å; T353-M356 PolarHBondContact O-N 3.42Å; S354-M356 PolarHBondContact O-N 3.3Å; M356-R359 VanDerWaalsContact O-CD 3.28Å; M356-R359 WeakPolarHBondContact O-CD 3.41Å; M356-R359 WeakPolarHBondContact O-CG 3.47Å |
| 357 | W | 98.5 | Very high | 96.1 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 21% | 0.205 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -92 | 159.1 | -172.6 | -63.5 | 6.4 | 0 | 0 | 0 | 112 | K131 L138 T139 T353 S354 R359 G374 | K131-W357 HydrophobicContact CB-CH2 3.83Å; K131-W357 HydrophobicContact CD-CH2 3.58Å; K131-W357 HydrophobicContact CD-CZ2 3.61Å; K131-W357 HydrophobicContact CD-CZ3 4.48Å; K131-W357 HydrophobicContact CG-CH2 4.37Å; L138-W357 WeakPolarHBondContact O-CZ2 3.08Å; T139-W357 PolarHBondContact OG1-NE1 3.05Å; T353-W357 HydrophobicContact CG2-CD2 4.49Å; T353-W357 HydrophobicContact CG2-CZ2 3.62Å; T353-W357 VanDerWaalsContact O-CD1 3.3Å; T353-W357 PolarHBondContact O-N 3.49Å; S354-W357 PolarHBondContact O-N 3.05Å; W357-R359 PolarHBondContact O-N 3.25Å; W357-G374 VanDerWaalsContact CD2-CA 3.47Å |
| 358 | N | 98.1 | Very high | 96 | Very high | 115 Ų | 115 | 38.9 Ų | 38.9 | 62% | 0.615 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 51.7 | 52.4 | 179.2 | -166.7 | 40.6 | 0 | 0 | 0 | 113.9 | I370 D371 V372 | N358-I370 CarbonylContact C-O 3.47Å; N358-I370 WeakPolarHBondContact CA-O 3.44Å; N358-I370 PolarHBondContact N-O 2.86Å; N358-I370 VanDerWaalsContact N-O 3.08Å; N358-D371 PolarHBondContact N-O 3.07Å; N358-V372 HydrophobicContact CB-CG1 3.93Å; N358-V372 WeakPolarHBondContact OD1-CG1 3.45Å |
| 359 | R | 97.1 | Very high | 96 | Very high | 42 Ų | 42 | 36.7 Ų | 36.7 | 16% | 0.158 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 161 | -176.8 | 74.4 | -168.8 | -51.9 | -109.1 | -0.1 | 112.6 | L331 E338 H355 M356 W357 S369 I370 | L331-R359 HydrophobicContact CD1-CG 4.41Å; E338-R359 IonicContact OE1-NH2 2.73Å; E338-R359 PolarHBondContact OE1-NH2 3.24Å; E338-R359 IonicContact OE2-NH2 2.77Å; H355-R359 WeakPolarHBondContact O-CD 3.41Å; H355-R359 PolarHBondContact O-NE 3.25Å; M356-R359 VanDerWaalsContact O-CD 3.28Å; M356-R359 WeakPolarHBondContact O-CD 3.41Å; M356-R359 WeakPolarHBondContact O-CG 3.47Å; W357-R359 PolarHBondContact O-N 3.25Å; R359-S369 CarbonylContact O-C 3.59Å; R359-S369 WeakPolarHBondContact O-CA 3.42Å; R359-I370 PolarHBondContact N-O 2.88Å; R359-I370 PolarHBondContact O-N 3.19Å |
| 360 | T | 97.4 | Very high | 96 | Very high | 71 Ų | 71 | 36.8 Ų | 36.8 | 44% | 0.436 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.2 | 172.4 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | Q367 V368 S369 | T360-Q367 HydrophobicContact CG2-CB 4.18Å; T360-Q367 HydrophobicContact CG2-CG 4.49Å; T360-V368 CarbonylContact C-O 3.47Å; T360-V368 VanDerWaalsContact CA-O 3.29Å; T360-V368 WeakPolarHBondContact CA-O 3.45Å; T360-S369 WeakPolarHBondContact CG2-OG 3.48Å; T360-S369 PolarHBondContact OG1-OG 3.36Å |
| 361 | F | 96.6 | Very high | 96 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 169.7 | 174.2 | 72.1 | -79.1 | 0 | 0 | 0 | 110.7 | I141 D327 V330 L331 I334 Q367 V368 I370 | I141-F361 HydrophobicContact CD1-CE1 4.23Å; I141-F361 HydrophobicContact CD1-CZ 3.99Å; D327-F361 HydrophobicContact CB-CE2 4.2Å; D327-F361 HydrophobicContact CB-CZ 4.1Å; V330-F361 HydrophobicContact CB-CE2 4.22Å; V330-F361 HydrophobicContact CG1-CD2 3.91Å; V330-F361 HydrophobicContact CG1-CE2 3.93Å; L331-F361 HydrophobicContact CB-CE1 3.98Å; L331-F361 HydrophobicContact CB-CE2 4.41Å; L331-F361 HydrophobicContact CB-CZ 3.83Å; L331-F361 HydrophobicContact CD1-CD1 4.03Å; L331-F361 HydrophobicContact CD1-CE1 3.89Å; L331-F361 HydrophobicContact CD2-CE1 4.29Å; L331-F361 HydrophobicContact CG-CE1 4.26Å; I334-F361 HydrophobicContact CD1-CB 3.81Å; I334-F361 HydrophobicContact CD1-CD2 4.02Å; I334-F361 HydrophobicContact CD1-CG 4.05Å; F361-Q367 WeakPolarHBondContact O-CA 3.47Å; F361-V368 HydrophobicContact CD1-CB 4.11Å; F361-V368 HydrophobicContact CD1-CG1 4.36Å; F361-V368 WeakPolarHBondContact CD1-O 3.4Å; F361-V368 HydrophobicContact CE1-CB 3.6Å; F361-V368 HydrophobicContact CE1-CG1 3.5Å; F361-V368 VanDerWaalsContact CE1-CG1 3.5Å; F361-V368 HydrophobicContact CE2-CB 4.32Å; F361-V368 HydrophobicContact CZ-CB 3.71Å; F361-V368 HydrophobicContact CZ-CG1 3.75Å; F361-V368 HydrophobicContact CZ-CG2 4.22Å; F361-V368 PolarHBondContact N-O 3.47Å; F361-V368 PolarHBondContact O-N 3.49Å; F361-I370 HydrophobicContact CE1-CG1 4.49Å |
| 362 | E | 94.2 | Very high | 96 | Very high | 70 Ų | 70 | 37.3 Ų | 37.3 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111.1 | 178.6 | -168.1 | 62.7 | -135.1 | 0 | 0 | 110.1 | K290 G366 Q367 | K290-E362 IonicContact NZ-OE1 3.72Å; K290-E362 PolarHBondContact NZ-OE1 2.92Å; K290-E362 IonicContact NZ-OE2 3.3Å; E362-G366 VanDerWaalsContact OE1-C 3.28Å; E362-G366 WeakPolarHBondContact OE1-CA 3.29Å; E362-Q367 WeakPolarHBondContact OE2-CG 3.5Å |
| 363 | G | 94.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -177 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D327 A365 G366 | D327-G363 VanDerWaalsContact OD1-CA 3.24Å; D327-G363 WeakPolarHBondContact OD1-CA 3.44Å; D327-G363 WeakPolarHBondContact OD2-CA 3.43Å; G363-A365 VanDerWaalsContact C-N 3.33Å; G363-A365 PolarHBondContact O-N 3.41Å; G363-G366 CarbonylContact C-O 3.49Å; G363-G366 WeakPolarHBondContact CA-O 3.1Å; G363-G366 PolarHBondContact N-O 2.82Å |
| 364 | I | 93.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -28.7 | -176.6 | -166.5 | 55.2 | 0 | 0 | 0 | 113.5 | Y52 E292 Y293 F296 E323 D327 | Y52-I364 HydrophobicContact CE1-CD1 4.45Å; E292-I364 HydrophobicContact CB-CD1 4.38Å; Y293-I364 WeakPolarHBondContact CB-O 3.13Å; F296-I364 HydrophobicContact CB-CD1 3.87Å; F296-I364 HydrophobicContact CB-CG1 3.6Å; F296-I364 HydrophobicContact CD1-CG1 3.77Å; F296-I364 HydrophobicContact CD1-CG2 4.23Å; F296-I364 HydrophobicContact CD2-CG1 3.95Å; F296-I364 HydrophobicContact CE1-CG1 4.38Å; F296-I364 HydrophobicContact CE1-CG2 4.11Å; F296-I364 HydrophobicContact CG-CD1 4.23Å; F296-I364 HydrophobicContact CG-CG1 3.51Å; F296-I364 HydrophobicContact CZ-CG2 4.45Å; E323-I364 HydrophobicContact CB-CG2 4.45Å; E323-I364 HydrophobicContact CG-CG2 3.81Å; D327-I364 PolarHBondContact OD1-N 3.33Å |
| 365 | A | 89.4 | Confident | 95.9 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 14.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T288 Y293 E323 G363 | T288-A365 PolarHBondContact OG1-O 3.07Å; Y293-A365 HydrophobicContact CD2-CB 3.46Å; Y293-A365 VanDerWaalsContact CD2-CB 3.46Å; Y293-A365 HydrophobicContact CE2-CB 3.6Å; Y293-A365 HydrophobicContact CG-CB 4.44Å; E323-A365 HydrophobicContact CG-CB 3.88Å; E323-A365 WeakPolarHBondContact OE2-CB 3.35Å; G363-A365 VanDerWaalsContact C-N 3.33Å; G363-A365 PolarHBondContact O-N 3.41Å |
| 366 | G | 88.8 | Confident | 95.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.8 | -168.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T288 E362 G363 | T288-G366 WeakPolarHBondContact OG1-CA 3.42Å; E362-G366 VanDerWaalsContact OE1-C 3.28Å; E362-G366 WeakPolarHBondContact OE1-CA 3.29Å; G363-G366 CarbonylContact C-O 3.49Å; G363-G366 WeakPolarHBondContact CA-O 3.1Å; G363-G366 PolarHBondContact N-O 2.82Å |
| 367 | Q | 91.1 | Very high | 95.8 | Very high | 140 Ų | 140 | 37 Ų | 37 | 65% | 0.654 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137.4 | 176.2 | -73.9 | -168.6 | -32.1 | 0 | 0 | 110.8 | T360 F361 E362 | T360-Q367 HydrophobicContact CG2-CB 4.18Å; T360-Q367 HydrophobicContact CG2-CG 4.49Å; F361-Q367 WeakPolarHBondContact O-CA 3.47Å; E362-Q367 WeakPolarHBondContact OE2-CG 3.5Å |
| 368 | V | 94.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.4 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | I141 T360 F361 I370 R376 | I141-V368 HydrophobicContact CD1-CG1 4.11Å; T360-V368 CarbonylContact C-O 3.47Å; T360-V368 VanDerWaalsContact CA-O 3.29Å; T360-V368 WeakPolarHBondContact CA-O 3.45Å; F361-V368 HydrophobicContact CD1-CB 4.11Å; F361-V368 HydrophobicContact CD1-CG1 4.36Å; F361-V368 WeakPolarHBondContact CD1-O 3.4Å; F361-V368 HydrophobicContact CE1-CB 3.6Å; F361-V368 HydrophobicContact CE1-CG1 3.5Å; F361-V368 VanDerWaalsContact CE1-CG1 3.5Å; F361-V368 HydrophobicContact CE2-CB 4.32Å; F361-V368 HydrophobicContact CZ-CB 3.71Å; F361-V368 HydrophobicContact CZ-CG1 3.75Å; F361-V368 HydrophobicContact CZ-CG2 4.22Å; F361-V368 PolarHBondContact N-O 3.47Å; F361-V368 PolarHBondContact O-N 3.49Å; V368-I370 HydrophobicContact CG1-CD1 4.14Å; V368-R376 HydrophobicContact CG1-CG 4.26Å |
| 369 | S | 96.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.2 | 173.8 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | R359 T360 R376 V377 | R359-S369 CarbonylContact O-C 3.59Å; R359-S369 WeakPolarHBondContact O-CA 3.42Å; T360-S369 WeakPolarHBondContact CG2-OG 3.48Å; T360-S369 PolarHBondContact OG1-OG 3.36Å; S369-R376 CarbonylContact O-C 3.59Å; S369-R376 WeakPolarHBondContact O-CA 3.49Å; S369-V377 PolarHBondContact O-N 2.58Å |
| 370 | I | 98.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.7 | 170.6 | -54.4 | -56.1 | 0 | 0 | 0 | 107.7 | T139 I141 L331 N358 R359 F361 V368 G374 R376 | T139-I370 HydrophobicContact CG2-CG2 4.03Å; I141-I370 HydrophobicContact CD1-CD1 3.91Å; L331-I370 HydrophobicContact CD2-CD1 4.3Å; L331-I370 HydrophobicContact CD2-CG1 3.92Å; N358-I370 CarbonylContact C-O 3.47Å; N358-I370 WeakPolarHBondContact CA-O 3.44Å; N358-I370 PolarHBondContact N-O 2.86Å; N358-I370 VanDerWaalsContact N-O 3.08Å; R359-I370 PolarHBondContact N-O 2.88Å; R359-I370 PolarHBondContact O-N 3.19Å; F361-I370 HydrophobicContact CE1-CG1 4.49Å; V368-I370 HydrophobicContact CG1-CD1 4.14Å; I370-G374 VanDerWaalsContact CG2-C 3.48Å; I370-R376 HydrophobicContact CD1-CB 3.89Å |
| 371 | D | 97.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 27 Ų | 27 | 16% | 0.16 | 14% | 0.143 | C | C | . | . | trans | -73.6 | 178.2 | -178.1 | 73.4 | 18 | 0 | 0 | 0 | 112.9 | K147 N358 N373 G374 D375 V377 | K147-D371 WeakPolarHBondContact CE-OD2 3.43Å; K147-D371 IonicContact NZ-OD2 3.17Å; K147-D371 PolarHBondContact NZ-OD2 3.43Å; N358-D371 PolarHBondContact N-O 3.07Å; D371-N373 PolarHBondContact O-N 2.97Å; D371-N373 VanDerWaalsContact OD1-CA 3.3Å; D371-N373 WeakPolarHBondContact OD1-CA 3.35Å; D371-N373 WeakPolarHBondContact OD1-CB 3.39Å; D371-N373 PolarHBondContact OD1-N 3.2Å; D371-G374 PolarHBondContact O-N 2.81Å; D371-G374 PolarHBondContact OD1-N 2.86Å; D371-G374 VanDerWaalsContact OD1-N 3.11Å; D371-D375 PolarHBondContact N-O 3.29Å; D371-D375 PolarHBondContact OD1-N 2.72Å; D371-V377 HydrophobicContact CB-CG2 4.13Å | ||
| 372 | V | 97.4 | Very high | 94.8 | Very high | 104 Ų | 104 | 26.6 Ų | 26.6 | 63% | 0.63 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.8 | 178.7 | -63.8 | 0 | 0 | 0 | 0 | 114 | N358 G374 | N358-V372 HydrophobicContact CB-CG1 3.93Å; N358-V372 WeakPolarHBondContact OD1-CG1 3.45Å; V372-G374 VanDerWaalsContact C-N 3.31Å |
| 373 | N | 97.6 | Very high | 94.7 | Very high | 44 Ų | 44 | 25.1 Ų | 25.1 | 24% | 0.235 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.1 | 175.6 | -165.4 | 58.9 | 0 | 0 | 0 | 111.2 | K129 K131 D371 D375 | K129-N373 PolarHBondContact O-ND2 3.43Å; K129-N373 PolarHBondContact O-OD1 3.42Å; K131-N373 WeakPolarHBondContact CD-O 3.25Å; K131-N373 WeakPolarHBondContact CE-O 3.44Å; K131-N373 PolarHBondContact NZ-O 3.03Å; D371-N373 PolarHBondContact O-N 2.97Å; D371-N373 VanDerWaalsContact OD1-CA 3.3Å; D371-N373 WeakPolarHBondContact OD1-CA 3.35Å; D371-N373 WeakPolarHBondContact OD1-CB 3.39Å; D371-N373 PolarHBondContact OD1-N 3.2Å; N373-D375 PolarHBondContact ND2-OD2 3Å |
| 374 | G | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 76.4 | 23.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K131 T139 R140 W357 I370 D371 V372 | K131-G374 PolarHBondContact NZ-O 3.42Å; T139-G374 WeakPolarHBondContact CA-O 3.35Å; R140-G374 PolarHBondContact N-O 3.39Å; W357-G374 VanDerWaalsContact CD2-CA 3.47Å; I370-G374 VanDerWaalsContact CG2-C 3.48Å; D371-G374 PolarHBondContact O-N 2.81Å; D371-G374 PolarHBondContact OD1-N 2.86Å; D371-G374 VanDerWaalsContact OD1-N 3.11Å; V372-G374 VanDerWaalsContact C-N 3.31Å |
| 375 | D | 98.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135 | 179.2 | -61.1 | -34.1 | 0 | 0 | 0 | 110.3 | K131 R140 D371 N373 V377 | K131-D375 VanDerWaalsContact CE-OD1 3.24Å; K131-D375 WeakPolarHBondContact CE-OD1 3.3Å; K131-D375 IonicContact NZ-OD1 3.01Å; K131-D375 PolarHBondContact NZ-OD1 3.26Å; R140-D375 IonicContact CZ-OD1 3.61Å; R140-D375 IonicContact CZ-OD2 3.96Å; R140-D375 VanDerWaalsContact NE-CG 3.34Å; R140-D375 IonicContact NE-OD1 3.79Å; R140-D375 PolarHBondContact NE-OD1 3.28Å; R140-D375 IonicContact NE-OD2 2.85Å; R140-D375 IonicContact NH2-OD1 2.57Å; R140-D375 PolarHBondContact NH2-OD1 2.81Å; R140-D375 IonicContact NH2-OD2 3.5Å; R140-D375 PolarHBondContact NH2-OD2 3.32Å; D371-D375 PolarHBondContact N-O 3.29Å; D371-D375 PolarHBondContact OD1-N 2.72Å; N373-D375 PolarHBondContact ND2-OD2 3Å; D375-V377 PolarHBondContact O-N 2.88Å |
| 376 | R | 97.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 28 Ų | 28 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 131.3 | 175 | 177.9 | 169.1 | 175.3 | 179.9 | 1.6 | 110.1 | R140 I141 P143 E323 V368 S369 I370 | R140-R376 WeakPolarHBondContact O-CB 3.33Å; R140-R376 PolarHBondContact O-N 3.01Å; I141-R376 WeakPolarHBondContact O-CD 3.44Å; I141-R376 PolarHBondContact O-NH1 3.18Å; P143-R376 HydrophobicContact CG-CG 4.21Å; E323-R376 IonicContact OE1-CZ 3.33Å; E323-R376 IonicContact OE1-NH1 3.58Å; E323-R376 PolarHBondContact OE1-NH1 3.42Å; E323-R376 VanDerWaalsContact OE1-NH1 3.17Å; E323-R376 IonicContact OE1-NH2 2.72Å; E323-R376 PolarHBondContact OE1-NH2 2.94Å; V368-R376 HydrophobicContact CG1-CG 4.26Å; S369-R376 CarbonylContact O-C 3.59Å; S369-R376 WeakPolarHBondContact O-CA 3.49Å; I370-R376 HydrophobicContact CD1-CB 3.89Å |
| 377 | V | 96.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 12% | 0.115 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 129 | 169.1 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | S369 D371 D375 E402 | S369-V377 PolarHBondContact O-N 2.58Å; D371-V377 HydrophobicContact CB-CG2 4.13Å; D375-V377 PolarHBondContact O-N 2.88Å; V377-E402 HydrophobicContact CG1-CB 4.17Å |
| 378 | G | 92.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -97.7 | 120.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F380 G401 | G378-F380 WeakPolarHBondContact O-CD2 3.49Å; G378-G401 WeakPolarHBondContact O-CA 3.14Å; G378-G401 PolarHBondContact O-N 3.28Å |
| 379 | D | 92.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 37.2 Ų | 37.2 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -100.4 | 134.8 | 166.4 | -64.4 | -19.4 | 0 | 0 | 0 | 108.6 | L286 Y399 F400 G401 | L286-D379 HydrophobicContact CB-CB 3.76Å; L286-D379 WeakPolarHBondContact CB-O 3.24Å; L286-D379 HydrophobicContact CD1-CB 4.39Å; L286-D379 HydrophobicContact CD2-CB 4.28Å; L286-D379 HydrophobicContact CG-CB 4.36Å; L286-D379 PolarHBondContact N-O 3.33Å; D379-Y399 CarbonylContact C-O 3.58Å; D379-Y399 VanDerWaalsContact CA-O 3.3Å; D379-Y399 WeakPolarHBondContact CA-O 3.32Å; D379-F400 VanDerWaalsContact OD1-CA 3.29Å; D379-F400 WeakPolarHBondContact OD1-CA 3.38Å; D379-G401 PolarHBondContact OD1-N 3.45Å |
| 380 | F | 94 | Very high | 94 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 4% | 0.044 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.4 | -173.5 | -63 | -89 | 0 | 0 | 0 | 110.9 | P143 K147 M148 T151 V283 T284 L285 G378 N398 Y399 | P143-F380 HydrophobicContact CB-CZ 3.98Å; K147-F380 HydrophobicContact CB-CE2 4.14Å; K147-F380 HydrophobicContact CB-CZ 4.35Å; K147-F380 WeakPolarHBondContact O-CE2 3.35Å; M148-F380 VanDerWaalsContact CA-CZ 3.43Å; M148-F380 HydrophobicContact CB-CE1 3.76Å; M148-F380 HydrophobicContact CB-CE2 4.35Å; M148-F380 HydrophobicContact CB-CZ 3.62Å; M148-F380 HydrophobicContact CG-CE1 4.06Å; M148-F380 HydrophobicContact CG-CZ 4.39Å; T151-F380 HydrophobicContact CG2-CB 4.17Å; T151-F380 WeakPolarHBondContact OG1-CD2 3.49Å; V283-F380 HydrophobicContact CG1-CB 4.44Å; V283-F380 HydrophobicContact CG1-CD1 4.35Å; T284-F380 CarbonylContact O-C 3.39Å; T284-F380 VanDerWaalsContact O-CA 3.32Å; T284-F380 WeakPolarHBondContact O-CA 3.44Å; L285-F380 HydrophobicContact CD2-CD1 4.04Å; L285-F380 HydrophobicContact CD2-CE1 3.58Å; L285-F380 HydrophobicContact CD2-CZ 4.17Å; L285-F380 HydrophobicContact CG-CE1 4.39Å; G378-F380 WeakPolarHBondContact O-CD2 3.49Å; F380-N398 CarbonylContact O-C 3.56Å; F380-N398 WeakPolarHBondContact O-CA 2.98Å; F380-Y399 HydrophobicContact CD2-CD1 4.11Å; F380-Y399 PolarHBondContact N-O 3.09Å; F380-Y399 PolarHBondContact O-N 3.4Å |
| 381 | S | 93.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.8 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 109.3 | T284 V397 N398 | T284-S381 PolarHBondContact N-O 3.41Å; T284-S381 PolarHBondContact O-N 3.31Å; S381-V397 CarbonylContact C-O 3.49Å; S381-V397 WeakPolarHBondContact CA-O 3.5Å; S381-N398 PolarHBondContact OG-OD1 3.25Å |
| 382 | L | 94 | Very high | 93.1 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.2 | 167.4 | -174 | 65.6 | 0 | 0 | 0 | 108.5 | M155 F248 N281 V283 V396 V397 F417 | M155-L382 HydrophobicContact SD-CD2 4Å; F248-L382 HydrophobicContact CD1-CD1 3.76Å; F248-L382 HydrophobicContact CE1-CD1 3.57Å; F248-L382 HydrophobicContact CE1-CD2 4.05Å; F248-L382 HydrophobicContact CE1-CG 4.46Å; N281-L382 HydrophobicContact CB-CD1 3.78Å; N281-L382 HydrophobicContact CB-CG 4.31Å; V283-L382 HydrophobicContact CG2-CD1 3.73Å; L382-V396 HydrophobicContact CB-CG2 4.43Å; L382-V396 HydrophobicContact CD2-CG2 4.43Å; L382-V396 HydrophobicContact CG-CG2 4.26Å; L382-V396 VanDerWaalsContact O-CG2 3.25Å; L382-V396 WeakPolarHBondContact O-CG2 3.33Å; L382-V396 PolarHBondContact O-N 3.31Å; L382-V397 HydrophobicContact CB-CB 3.92Å; L382-V397 HydrophobicContact CB-CG2 4.44Å; L382-V397 HydrophobicContact CD2-CB 4.44Å; L382-V397 HydrophobicContact CD2-CG2 4.16Å; L382-V397 PolarHBondContact N-O 3.33Å; L382-V397 PolarHBondContact O-N 3.11Å; L382-F417 HydrophobicContact CD2-CE1 3.65Å; L382-F417 HydrophobicContact CD2-CE2 4.25Å; L382-F417 HydrophobicContact CD2-CZ 3.35Å; L382-F417 HydrophobicContact CG-CZ 4.47Å |
| 383 | M | 93.7 | Very high | 92.7 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.1 | 175.1 | -58.6 | -178.4 | 66.6 | 0 | 0 | 110.2 | N281 T282 T284 Y393 E394 V395 | N281-M383 CarbonylContact C-O 3.58Å; N281-M383 VanDerWaalsContact CA-O 3.28Å; N281-M383 WeakPolarHBondContact CA-O 3.1Å; T282-M383 PolarHBondContact N-O 2.88Å; T282-M383 PolarHBondContact O-N 2.72Å; T284-M383 HydrophobicContact CG2-CG 4.22Å; T284-M383 HydrophobicContact CG2-SD 3.89Å; M383-Y393 HydrophobicContact CB-CD1 4.09Å; M383-E394 VanDerWaalsContact CA-O 3.22Å; M383-E394 WeakPolarHBondContact CA-O 3.42Å; M383-V395 HydrophobicContact CG-CG2 4.06Å |
| 384 | A | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | N281 T386 Y393 E394 V396 F412 | N281-A384 WeakPolarHBondContact OD1-CB 3.4Å; A384-T386 PolarHBondContact O-N 2.82Å; A384-Y393 WeakPolarHBondContact O-CA 3.46Å; A384-E394 PolarHBondContact N-O 3.22Å; A384-E394 PolarHBondContact O-N 2.9Å; A384-V396 HydrophobicContact CB-CG1 4.09Å; A384-V396 HydrophobicContact CB-CG2 3.77Å; A384-F412 HydrophobicContact CB-CE2 4.37Å; A384-F412 HydrophobicContact CB-CZ 4.32Å |
| 385 | M | 92.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 109.8 | 176.3 | -170.9 | 178.1 | -69.3 | 0 | 0 | 110.2 | R274 A278 I388 N392 Y393 | R274-M385 HydrophobicContact CG-CE 4.44Å; A278-M385 HydrophobicContact CB-SD 4.03Å; M385-I388 HydrophobicContact SD-CB 4.39Å; M385-I388 HydrophobicContact SD-CG1 4.38Å; M385-I388 HydrophobicContact SD-CG2 4.48Å; M385-N392 WeakPolarHBondContact CA-O 3.06Å; M385-Y393 HydrophobicContact CB-CD2 4.21Å; M385-Y393 HydrophobicContact CB-CE2 4.01Å; M385-Y393 HydrophobicContact CE-CD2 4.06Å; M385-Y393 HydrophobicContact CE-CE2 3.49Å; M385-Y393 VanDerWaalsContact CE-CE2 3.49Å |
| 386 | T | 89.3 | Confident | 91.8 | Very high | 59 Ų | 59 | 43 Ų | 43 | 36% | 0.362 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -22.3 | -178.8 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | A384 N392 E394 V396 F412 | A384-T386 PolarHBondContact O-N 2.82Å; T386-N392 PolarHBondContact N-O 2.85Å; T386-N392 VanDerWaalsContact N-O 3.09Å; T386-E394 WeakPolarHBondContact CB-OE2 3.34Å; T386-E394 HydrophobicContact CG2-CB 3.98Å; T386-E394 HydrophobicContact CG2-CG 4.5Å; T386-E394 PolarHBondContact OG1-OE2 3.06Å; T386-V396 HydrophobicContact CG2-CG1 3.83Å; T386-F412 HydrophobicContact CG2-CD2 4.21Å; T386-F412 HydrophobicContact CG2-CE2 4.35Å |
| 387 | N | 89.1 | Confident | 91.5 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 105.2 | 173.1 | -177.3 | -21.9 | 0 | 0 | 0 | 110.3 | E389 A390 G391 N392 | N387-E389 PolarHBondContact OD1-N 3.25Å; N387-A390 HydrophobicContact CB-CB 4.18Å; N387-A390 PolarHBondContact OD1-N 3.31Å; N387-G391 WeakPolarHBondContact O-CA 3.27Å; N387-G391 PolarHBondContact O-N 2.83Å; N387-N392 PolarHBondContact O-N 3.44Å |
| 388 | I | 89.1 | Confident | 91.4 | Very high | 88 Ų | 88 | 42.1 Ų | 42.1 | 45% | 0.451 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -35.7 | -176.9 | -57.1 | 175.5 | 0 | 0 | 0 | 112.1 | R274 A278 M385 G391 | R274-I388 WeakPolarHBondContact CD-O 3.4Å; R274-I388 WeakPolarHBondContact CG-O 3.36Å; R274-I388 PolarHBondContact NH1-O 3.19Å; A278-I388 HydrophobicContact CB-CD1 3.92Å; A278-I388 HydrophobicContact CB-CG1 3.85Å; A278-I388 HydrophobicContact CB-CG2 4.12Å; M385-I388 HydrophobicContact SD-CB 4.39Å; M385-I388 HydrophobicContact SD-CG1 4.38Å; M385-I388 HydrophobicContact SD-CG2 4.48Å; I388-G391 PolarHBondContact O-N 2.8Å |
| 389 | E | 89.3 | Confident | 91.5 | Very high | 176 Ų | 176 | 42.3 Ų | 42.3 | 82% | 0.822 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -44.1 | 179.6 | -67 | -176.1 | 176.7 | 0 | 0 | 111.3 | N387 | N387-E389 PolarHBondContact OD1-N 3.25Š|
| 390 | A | 89 | Confident | 91.5 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 39% | 0.388 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -26.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N387 | N387-A390 HydrophobicContact CB-CB 4.18Å; N387-A390 PolarHBondContact OD1-N 3.31Å |
| 391 | G | 89.3 | Confident | 91.4 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 24.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | W263 N387 I388 | W263-G391 PolarHBondContact NE1-O 2.95Å; N387-G391 WeakPolarHBondContact O-CA 3.27Å; N387-G391 PolarHBondContact O-N 2.83Å; I388-G391 PolarHBondContact O-N 2.8Å |
| 392 | N | 88.1 | Confident | 91.2 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.1 | -175.3 | -70.3 | -3.3 | 0 | 0 | 0 | 111.1 | M385 T386 N387 | M385-N392 WeakPolarHBondContact CA-O 3.06Å; T386-N392 PolarHBondContact N-O 2.85Å; T386-N392 VanDerWaalsContact N-O 3.09Å; N387-N392 PolarHBondContact O-N 3.44Å |
| 393 | Y | 89.3 | Confident | 91 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 134.5 | 169.9 | -90.3 | -104.4 | 0 | 0 | 0 | 110.7 | G261 Y277 L280 M383 A384 M385 | G261-Y393 WeakPolarHBondContact O-CD2 3.28Å; G261-Y393 VanDerWaalsContact O-CE2 3.27Å; G261-Y393 WeakPolarHBondContact O-CE2 3.29Å; Y277-Y393 WeakPolarHBondContact CB-OH 3.43Å; Y277-Y393 HydrophobicContact CD1-CE2 4.14Å; Y277-Y393 WeakPolarHBondContact CD1-OH 3.36Å; Y277-Y393 PolarHBondContact O-OH 2.72Å; L280-Y393 WeakPolarHBondContact O-CE1 3.39Å; L280-Y393 PolarHBondContact O-OH 3.34Å; M383-Y393 HydrophobicContact CB-CD1 4.09Å; A384-Y393 WeakPolarHBondContact O-CA 3.46Å; M385-Y393 HydrophobicContact CB-CD2 4.21Å; M385-Y393 HydrophobicContact CB-CE2 4.01Å; M385-Y393 HydrophobicContact CE-CD2 4.06Å; M385-Y393 HydrophobicContact CE-CE2 3.49Å; M385-Y393 VanDerWaalsContact CE-CE2 3.49Å |
| 394 | E | 91 | Very high | 90.8 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.2 | 176.9 | -64.4 | 177.6 | 159.2 | 0 | 0 | 109.4 | M383 A384 T386 V396 | M383-E394 VanDerWaalsContact CA-O 3.22Å; M383-E394 WeakPolarHBondContact CA-O 3.42Å; A384-E394 PolarHBondContact N-O 3.22Å; A384-E394 PolarHBondContact O-N 2.9Å; T386-E394 WeakPolarHBondContact CB-OE2 3.34Å; T386-E394 HydrophobicContact CG2-CB 3.98Å; T386-E394 HydrophobicContact CG2-CG 4.5Å; T386-E394 PolarHBondContact OG1-OE2 3.06Å; E394-V396 PolarHBondContact O-N 3.11Å |
| 395 | V | 91.6 | Very high | 90.5 | Very high | 52 Ų | 52 | 59.5 Ų | 59.5 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 131.2 | 168.8 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | M383 N398 L409 | M383-V395 HydrophobicContact CG-CG2 4.06Å; V395-N398 WeakPolarHBondContact CG1-OD1 3.31Å; V395-L409 HydrophobicContact CB-CD1 4.48Å; V395-L409 HydrophobicContact CG1-CD1 4.26Å; V395-L409 WeakPolarHBondContact O-CD1 3.18Å |
| 396 | V | 92.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -23.5 | -178.1 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | L382 A384 T386 E394 L409 F412 F417 | L382-V396 HydrophobicContact CB-CG2 4.43Å; L382-V396 HydrophobicContact CD2-CG2 4.43Å; L382-V396 HydrophobicContact CG-CG2 4.26Å; L382-V396 VanDerWaalsContact O-CG2 3.25Å; L382-V396 WeakPolarHBondContact O-CG2 3.33Å; L382-V396 PolarHBondContact O-N 3.31Å; A384-V396 HydrophobicContact CB-CG1 4.09Å; A384-V396 HydrophobicContact CB-CG2 3.77Å; T386-V396 HydrophobicContact CG2-CG1 3.83Å; E394-V396 PolarHBondContact O-N 3.11Å; V396-L409 PolarHBondContact O-N 3Å; V396-F412 HydrophobicContact CB-CB 4.25Å; V396-F412 HydrophobicContact CB-CD1 3.92Å; V396-F412 HydrophobicContact CB-CD2 3.71Å; V396-F412 HydrophobicContact CB-CE1 4.18Å; V396-F412 HydrophobicContact CB-CE2 3.97Å; V396-F412 HydrophobicContact CB-CG 3.67Å; V396-F412 HydrophobicContact CB-CZ 4.17Å; V396-F412 HydrophobicContact CG1-CB 4.37Å; V396-F412 HydrophobicContact CG1-CD1 4.38Å; V396-F412 HydrophobicContact CG1-CD2 3.23Å; V396-F412 HydrophobicContact CG1-CE2 3.44Å; V396-F412 VanDerWaalsContact CG1-CE2 3.44Å; V396-F412 HydrophobicContact CG1-CG 3.74Å; V396-F412 HydrophobicContact CG1-CZ 4.1Å; V396-F412 HydrophobicContact CG2-CE1 4.37Å; V396-F412 HydrophobicContact CG2-CE2 4.45Å; V396-F412 HydrophobicContact CG2-CZ 4.29Å; V396-F417 HydrophobicContact CG2-CZ 4.2Å |
| 397 | V | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.5 | 177 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | S381 L382 F406 Q407 L408 F417 | S381-V397 CarbonylContact C-O 3.49Å; S381-V397 WeakPolarHBondContact CA-O 3.5Å; L382-V397 HydrophobicContact CB-CB 3.92Å; L382-V397 HydrophobicContact CB-CG2 4.44Å; L382-V397 HydrophobicContact CD2-CB 4.44Å; L382-V397 HydrophobicContact CD2-CG2 4.16Å; L382-V397 PolarHBondContact N-O 3.33Å; L382-V397 PolarHBondContact O-N 3.11Å; V397-F406 HydrophobicContact CG1-CD1 3.46Å; V397-F406 VanDerWaalsContact CG1-CD1 3.46Å; V397-F406 HydrophobicContact CG1-CE1 4Å; V397-Q407 WeakPolarHBondContact CA-O 3.25Å; V397-L408 HydrophobicContact CG2-CG 4.11Å; V397-F417 HydrophobicContact CG2-CE2 4.07Å; V397-F417 HydrophobicContact CG2-CZ 4.43Å |
| 398 | N | 93.3 | Very high | 90 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.3 | 165.7 | -68.7 | -39.4 | 0 | 0 | 0 | 110.3 | L286 F380 S381 V395 F400 Q407 | L286-N398 HydrophobicContact CD1-CB 3.8Å; F380-N398 CarbonylContact O-C 3.56Å; F380-N398 WeakPolarHBondContact O-CA 2.98Å; S381-N398 PolarHBondContact OG-OD1 3.25Å; V395-N398 WeakPolarHBondContact CG1-OD1 3.31Å; N398-F400 HydrophobicContact CB-CE2 3.89Å; N398-F400 HydrophobicContact CB-CZ 4.03Å; N398-Q407 PolarHBondContact N-O 3.48Å; N398-Q407 PolarHBondContact O-N 2Å |
| 399 | Y | 93.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.6 | 168.9 | 179 | -102.5 | 0 | 0 | 0 | 109.2 | T151 A154 D379 F380 T405 F406 | T151-Y399 HydrophobicContact CG2-CD1 4.41Å; T151-Y399 HydrophobicContact CG2-CG 4.08Å; T151-Y399 WeakPolarHBondContact OG1-CD1 3.29Å; A154-Y399 HydrophobicContact CB-CE2 4.11Å; D379-Y399 CarbonylContact C-O 3.58Å; D379-Y399 VanDerWaalsContact CA-O 3.3Å; D379-Y399 WeakPolarHBondContact CA-O 3.32Å; F380-Y399 HydrophobicContact CD2-CD1 4.11Å; F380-Y399 PolarHBondContact N-O 3.09Å; F380-Y399 PolarHBondContact O-N 3.4Å; Y399-T405 WeakPolarHBondContact CA-O 3.42Å; Y399-F406 HydrophobicContact CD2-CD1 4.11Å; Y399-F406 AromaticContact CD2-CD2 3.72Å; Y399-F406 HydrophobicContact CD2-CD2 3.72Å; Y399-F406 AromaticContact CD2-CE1 3.84Å; Y399-F406 HydrophobicContact CD2-CE1 3.84Å; Y399-F406 AromaticContact CD2-CE2 3.37Å; Y399-F406 HydrophobicContact CD2-CE2 3.37Å; Y399-F406 HydrophobicContact CD2-CG 4.07Å; Y399-F406 AromaticContact CD2-CZ 3.42Å; Y399-F406 HydrophobicContact CD2-CZ 3.42Å; Y399-F406 VanDerWaalsContact CD2-CZ 3.42Å; Y399-F406 HydrophobicContact CE2-CD2 4.18Å; Y399-F406 AromaticContact CE2-CE2 3.81Å; Y399-F406 HydrophobicContact CE2-CE2 3.81Å; Y399-F406 HydrophobicContact CE2-CZ 4.22Å; Y399-F406 HydrophobicContact CG-CE1 4.13Å; Y399-F406 HydrophobicContact CG-CE2 4.32Å; Y399-F406 AromaticContact CG-CZ 3.93Å; Y399-F406 HydrophobicContact CG-CZ 3.93Å |
| 400 | F | 93.3 | Very high | 89 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 24% | 0.237 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.1 | 175.2 | -62.4 | -79.6 | 0 | 0 | 0 | 108.9 | L286 D379 N398 E402 N403 K404 T405 Q407 | L286-F400 HydrophobicContact CD1-CE1 3.89Å; L286-F400 HydrophobicContact CD1-CZ 4.19Å; D379-F400 VanDerWaalsContact OD1-CA 3.29Å; D379-F400 WeakPolarHBondContact OD1-CA 3.38Å; N398-F400 HydrophobicContact CB-CE2 3.89Å; N398-F400 HydrophobicContact CB-CZ 4.03Å; F400-E402 VanDerWaalsContact C-N 3.33Å; F400-E402 PolarHBondContact O-N 3.26Å; F400-N403 VanDerWaalsContact CB-OD1 3.25Å; F400-N403 WeakPolarHBondContact CB-OD1 3.01Å; F400-N403 PolarHBondContact O-OD1 3.03Å; F400-K404 VanDerWaalsContact O-CA 3.23Å; F400-K404 WeakPolarHBondContact O-CA 3.45Å; F400-K404 PolarHBondContact O-N 3.22Å; F400-T405 PolarHBondContact N-O 3.48Å; F400-T405 PolarHBondContact O-N 3.18Å; F400-Q407 HydrophobicContact CE2-CB 4.33Å |
| 401 | G | 92.1 | Very high | 88.3 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -30.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G378 D379 K404 | G378-G401 WeakPolarHBondContact O-CA 3.14Å; G378-G401 PolarHBondContact O-N 3.28Å; D379-G401 PolarHBondContact OD1-N 3.45Å; G401-K404 PolarHBondContact O-N 2.74Å |
| 402 | E | 89.1 | Confident | 88 | Confident | 127 Ų | 127 | 62.8 Ų | 62.8 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -48.1 | -176.4 | -173.4 | 69.9 | -148.4 | 0 | 0 | 111.3 | V377 F400 | V377-E402 HydrophobicContact CG1-CB 4.17Å; F400-E402 VanDerWaalsContact C-N 3.33Å; F400-E402 PolarHBondContact O-N 3.26Å |
| 403 | N | 89.9 | Confident | 87.8 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -1.9 | -179.1 | 62.4 | 13.3 | 0 | 0 | 0 | 112.7 | F400 T405 | F400-N403 VanDerWaalsContact CB-OD1 3.25Å; F400-N403 WeakPolarHBondContact CB-OD1 3.01Å; F400-N403 PolarHBondContact O-OD1 3.03Å; N403-T405 HydrophobicContact CB-CG2 4.03Å; N403-T405 PolarHBondContact ND2-OG1 2.8Å; N403-T405 VanDerWaalsContact ND2-OG1 3.11Å; N403-T405 PolarHBondContact O-N 2.78Å; N403-T405 WeakPolarHBondContact OD1-CB 3.32Å; N403-T405 WeakPolarHBondContact OD1-CG2 3.47Å; N403-T405 PolarHBondContact OD1-N 2.64Å; N403-T405 PolarHBondContact OD1-OG1 3.33Å |
| 404 | K | 89.3 | Confident | 87.5 | Confident | 137 Ų | 137 | 64 Ų | 64 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.5 | -176.4 | -55.9 | -175.2 | 176.5 | -170.7 | 0 | 112.6 | F400 G401 | F400-K404 VanDerWaalsContact O-CA 3.23Å; F400-K404 WeakPolarHBondContact O-CA 3.45Å; F400-K404 PolarHBondContact O-N 3.22Å; G401-K404 PolarHBondContact O-N 2.74Å |
| 405 | T | 87.1 | Confident | 87.2 | Confident | 58 Ų | 58 | 64 Ų | 64 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.3 | -177.1 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | Y399 F400 N403 | Y399-T405 WeakPolarHBondContact CA-O 3.42Å; F400-T405 PolarHBondContact N-O 3.48Å; F400-T405 PolarHBondContact O-N 3.18Å; N403-T405 HydrophobicContact CB-CG2 4.03Å; N403-T405 PolarHBondContact ND2-OG1 2.8Å; N403-T405 VanDerWaalsContact ND2-OG1 3.11Å; N403-T405 PolarHBondContact O-N 2.78Å; N403-T405 WeakPolarHBondContact OD1-CB 3.32Å; N403-T405 WeakPolarHBondContact OD1-CG2 3.47Å; N403-T405 PolarHBondContact OD1-N 2.64Å; N403-T405 PolarHBondContact OD1-OG1 3.33Å |
| 406 | F | 84.9 | Confident | 86.9 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.7 | 169.6 | -92.4 | -67.8 | 0 | 0 | 0 | 110.2 | T151 A154 M155 V397 Y399 | T151-F406 HydrophobicContact CG2-CE1 3.99Å; T151-F406 HydrophobicContact CG2-CZ 3.57Å; T151-F406 WeakPolarHBondContact O-CE2 3.37Å; T151-F406 WeakPolarHBondContact O-CZ 3.41Å; A154-F406 HydrophobicContact CB-CD2 3.69Å; A154-F406 HydrophobicContact CB-CE2 3.31Å; M155-F406 HydrophobicContact CB-CZ 4.37Å; M155-F406 HydrophobicContact CG-CE1 3.68Å; M155-F406 HydrophobicContact CG-CE2 3.86Å; M155-F406 HydrophobicContact CG-CZ 3.29Å; M155-F406 VanDerWaalsContact N-CE2 3.32Å; M155-F406 HydrophobicContact SD-CE1 4.43Å; M155-F406 HydrophobicContact SD-CZ 4.41Å; V397-F406 HydrophobicContact CG1-CD1 3.46Å; V397-F406 VanDerWaalsContact CG1-CD1 3.46Å; V397-F406 HydrophobicContact CG1-CE1 4Å; Y399-F406 HydrophobicContact CD2-CD1 4.11Å; Y399-F406 AromaticContact CD2-CD2 3.72Å; Y399-F406 HydrophobicContact CD2-CD2 3.72Å; Y399-F406 AromaticContact CD2-CE1 3.84Å; Y399-F406 HydrophobicContact CD2-CE1 3.84Å; Y399-F406 AromaticContact CD2-CE2 3.37Å; Y399-F406 HydrophobicContact CD2-CE2 3.37Å; Y399-F406 HydrophobicContact CD2-CG 4.07Å; Y399-F406 AromaticContact CD2-CZ 3.42Å; Y399-F406 HydrophobicContact CD2-CZ 3.42Å; Y399-F406 VanDerWaalsContact CD2-CZ 3.42Å; Y399-F406 HydrophobicContact CE2-CD2 4.18Å; Y399-F406 AromaticContact CE2-CE2 3.81Å; Y399-F406 HydrophobicContact CE2-CE2 3.81Å; Y399-F406 HydrophobicContact CE2-CZ 4.22Å; Y399-F406 HydrophobicContact CG-CE1 4.13Å; Y399-F406 HydrophobicContact CG-CE2 4.32Å; Y399-F406 AromaticContact CG-CZ 3.93Å; Y399-F406 HydrophobicContact CG-CZ 3.93Å |
| 407 | Q | 88.5 | Confident | 86.7 | Confident | 100 Ų | 100 | 64.4 Ų | 64.4 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 105.3 | 176.2 | -172.2 | 178.9 | 11.3 | 0 | 0 | 109.8 | V397 N398 F400 | V397-Q407 WeakPolarHBondContact CA-O 3.25Å; N398-Q407 PolarHBondContact N-O 3.48Å; N398-Q407 PolarHBondContact O-N 2Å; F400-Q407 HydrophobicContact CE2-CB 4.33Å |
| 408 | L | 86.8 | Confident | 86.5 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 25% | 0.251 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.3 | 167.4 | -77 | 78.4 | 0 | 0 | 0 | 109.2 | V397 | V397-L408 HydrophobicContact CG2-CG 4.11Å |
| 409 | L | 86 | Confident | 86.2 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | trans | -72.2 | 135.4 | 174.4 | -64.7 | -167.5 | 0 | 0 | 0 | 110.2 | V395 V396 A411 F412 | V395-L409 HydrophobicContact CB-CD1 4.48Å; V395-L409 HydrophobicContact CG1-CD1 4.26Å; V395-L409 WeakPolarHBondContact O-CD1 3.18Å; V396-L409 PolarHBondContact O-N 3Å; L409-A411 PolarHBondContact O-N 2.97Å; L409-F412 PolarHBondContact O-N 3.31Å | ||
| 410 | P | 72 | Confident | 85.7 | Confident | 134 Ų | 134 | 73 Ų | 73 | 87% | 0.87 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.2 | -166.1 | -27.7 | 34.3 | 0 | 0 | 0 | 116.9 | ||
| 411 | A | 73.6 | Confident | 84.2 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 88% | 0.884 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -5.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L409 | L409-A411 PolarHBondContact O-N 2.97Š|
| 412 | F | 83.6 | Confident | 82.7 | Confident | 37 Ų | 37 | 85.8 Ų | 85.8 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -91.1 | 132.4 | -177.1 | -172.4 | -102.9 | 0 | 0 | 0 | 111.6 | A384 T386 V396 L409 S414 H416 F417 | A384-F412 HydrophobicContact CB-CE2 4.37Å; A384-F412 HydrophobicContact CB-CZ 4.32Å; T386-F412 HydrophobicContact CG2-CD2 4.21Å; T386-F412 HydrophobicContact CG2-CE2 4.35Å; V396-F412 HydrophobicContact CB-CB 4.25Å; V396-F412 HydrophobicContact CB-CD1 3.92Å; V396-F412 HydrophobicContact CB-CD2 3.71Å; V396-F412 HydrophobicContact CB-CE1 4.18Å; V396-F412 HydrophobicContact CB-CE2 3.97Å; V396-F412 HydrophobicContact CB-CG 3.67Å; V396-F412 HydrophobicContact CB-CZ 4.17Å; V396-F412 HydrophobicContact CG1-CB 4.37Å; V396-F412 HydrophobicContact CG1-CD1 4.38Å; V396-F412 HydrophobicContact CG1-CD2 3.23Å; V396-F412 HydrophobicContact CG1-CE2 3.44Å; V396-F412 VanDerWaalsContact CG1-CE2 3.44Å; V396-F412 HydrophobicContact CG1-CG 3.74Å; V396-F412 HydrophobicContact CG1-CZ 4.1Å; V396-F412 HydrophobicContact CG2-CE1 4.37Å; V396-F412 HydrophobicContact CG2-CE2 4.45Å; V396-F412 HydrophobicContact CG2-CZ 4.29Å; L409-F412 PolarHBondContact O-N 3.31Å; F412-S414 PolarHBondContact O-N 3.39Å; F412-H416 HydrophobicContact CE1-CB 3.86Å; F412-H416 HydrophobicContact CZ-CB 3.58Å; F412-H416 AromaticContact CZ-CD2 3.68Å; F412-H416 AromaticContact CZ-CG 3.65Å; F412-F417 HydrophobicContact CD1-CE2 4.09Å; F412-F417 HydrophobicContact CE1-CD2 4.03Å; F412-F417 AromaticContact CE1-CE2 3.34Å; F412-F417 HydrophobicContact CE1-CE2 3.34Å; F412-F417 AromaticContact CE1-CZ 3.76Å; F412-F417 HydrophobicContact CE1-CZ 3.76Å; F412-F417 HydrophobicContact CZ-CE2 4.19Å; F412-F417 HydrophobicContact CZ-CZ 4.18Å |
| 413 | N | 83.5 | Confident | 80.5 | Confident | 96 Ų | 96 | 88.9 Ų | 88.9 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | trans | -79 | 112.7 | 176.2 | -174.3 | -0.1 | 0 | 0 | 0 | 110.5 | D415 H416 | N413-D415 PolarHBondContact ND2-OD2 3.19Å; N413-D415 PolarHBondContact O-N 3.01Å; N413-D415 WeakPolarHBondContact OD1-CB 3.23Å; N413-D415 VanDerWaalsContact OD1-CG 3.27Å; N413-D415 PolarHBondContact OD1-N 3.28Å; N413-D415 PolarHBondContact OD1-OD2 3.26Å; N413-H416 WeakPolarHBondContact O-CB 3.32Å; N413-H416 PolarHBondContact O-N 3Å | ||
| 414 | S | 82.8 | Confident | 78.1 | Confident | 51 Ų | 51 | 92.6 Ų | 92.6 | 36% | 0.357 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -61.7 | -20.6 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | F412 H416 F417 | F412-S414 PolarHBondContact O-N 3.39Å; S414-H416 PolarHBondContact O-N 3.25Å; S414-H416 VanDerWaalsContact O-N 3.1Å; S414-F417 PolarHBondContact O-N 3.12Å |
| 415 | D | 84.4 | Confident | 75.7 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -59.6 | -21 | 176.2 | -64.2 | -21.6 | 0 | 0 | 0 | 112.1 | N413 F417 T418 | N413-D415 PolarHBondContact ND2-OD2 3.19Å; N413-D415 PolarHBondContact O-N 3.01Å; N413-D415 WeakPolarHBondContact OD1-CB 3.23Å; N413-D415 VanDerWaalsContact OD1-CG 3.27Å; N413-D415 PolarHBondContact OD1-N 3.28Å; N413-D415 PolarHBondContact OD1-OD2 3.26Å; D415-F417 PolarHBondContact O-N 3.11Å; D415-F417 VanDerWaalsContact O-N 3.16Å; D415-T418 VanDerWaalsContact O-CB 3.3Å; D415-T418 WeakPolarHBondContact O-CB 3.41Å; D415-T418 PolarHBondContact O-N 2.77Å |
| 416 | H | 86.3 | Confident | 73.3 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 28% | 0.278 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -53.9 | -30.8 | 171.3 | -176.9 | 82.2 | 0 | 0 | 0 | 112.7 | M246 N281 F412 N413 S414 T418 | M246-H416 VanDerWaalsContact CE-O 3.23Å; M246-H416 WeakPolarHBondContact CE-O 3.25Å; N281-H416 PolarHBondContact OD1-NE2 3.07Å; F412-H416 HydrophobicContact CE1-CB 3.86Å; F412-H416 HydrophobicContact CZ-CB 3.58Å; F412-H416 AromaticContact CZ-CD2 3.68Å; F412-H416 AromaticContact CZ-CG 3.65Å; N413-H416 WeakPolarHBondContact O-CB 3.32Å; N413-H416 PolarHBondContact O-N 3Å; S414-H416 PolarHBondContact O-N 3.25Å; S414-H416 VanDerWaalsContact O-N 3.1Å; H416-T418 VanDerWaalsContact C-N 3.32Å |
| 417 | F | 88.6 | Confident | 71 | Confident | 1 Ų | 1 | 101.4 Ų | 101.4 | 0% | 0.004 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -90.9 | 7.2 | 179.1 | -61.8 | -57.1 | 0 | 0 | 0 | 113.7 | F159 W161 M246 L382 V396 V397 F412 S414 D415 | F159-F417 HydrophobicContact CD1-CB 3.6Å; F159-F417 HydrophobicContact CD1-CG 4.4Å; F159-F417 HydrophobicContact CD2-CB 4.33Å; F159-F417 HydrophobicContact CE1-CB 3.49Å; F159-F417 VanDerWaalsContact CE1-CB 3.49Å; F159-F417 AromaticContact CE1-CD2 3.61Å; F159-F417 HydrophobicContact CE1-CD2 3.61Å; F159-F417 AromaticContact CE1-CG 3.87Å; F159-F417 HydrophobicContact CE1-CG 3.87Å; F159-F417 HydrophobicContact CE2-CB 4.23Å; F159-F417 HydrophobicContact CE2-CD2 4.02Å; F159-F417 HydrophobicContact CE2-CG 4.09Å; F159-F417 HydrophobicContact CG-CB 4.04Å; F159-F417 HydrophobicContact CZ-CB 3.82Å; F159-F417 AromaticContact CZ-CD2 3.29Å; F159-F417 HydrophobicContact CZ-CD2 3.29Å; F159-F417 HydrophobicContact CZ-CE2 4.01Å; F159-F417 AromaticContact CZ-CG 3.7Å; F159-F417 HydrophobicContact CZ-CG 3.7Å; W161-F417 HydrophobicContact CH2-CD1 4.48Å; W161-F417 HydrophobicContact CZ2-CB 4.02Å; W161-F417 HydrophobicContact CZ2-CD1 4.46Å; W161-F417 PolarHBondContact NE1-O 3.42Å; M246-F417 HydrophobicContact SD-CD1 4.09Å; L382-F417 HydrophobicContact CD2-CE1 3.65Å; L382-F417 HydrophobicContact CD2-CE2 4.25Å; L382-F417 HydrophobicContact CD2-CZ 3.35Å; L382-F417 HydrophobicContact CG-CZ 4.47Å; V396-F417 HydrophobicContact CG2-CZ 4.2Å; V397-F417 HydrophobicContact CG2-CE2 4.07Å; V397-F417 HydrophobicContact CG2-CZ 4.43Å; F412-F417 HydrophobicContact CD1-CE2 4.09Å; F412-F417 HydrophobicContact CE1-CD2 4.03Å; F412-F417 AromaticContact CE1-CE2 3.34Å; F412-F417 HydrophobicContact CE1-CE2 3.34Å; F412-F417 AromaticContact CE1-CZ 3.76Å; F412-F417 HydrophobicContact CE1-CZ 3.76Å; F412-F417 HydrophobicContact CZ-CE2 4.19Å; F412-F417 HydrophobicContact CZ-CZ 4.18Å; S414-F417 PolarHBondContact O-N 3.12Å; D415-F417 PolarHBondContact O-N 3.11Å; D415-F417 VanDerWaalsContact O-N 3.16Å |
| 418 | T | 88.9 | Confident | 68.6 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -94.6 | 121.9 | 175.7 | -56.9 | 0 | 0 | 0 | 0 | 110 | D415 H416 T420 | D415-T418 VanDerWaalsContact O-CB 3.3Å; D415-T418 WeakPolarHBondContact O-CB 3.41Å; D415-T418 PolarHBondContact O-N 2.77Å; H416-T418 VanDerWaalsContact C-N 3.32Å; T418-T420 PolarHBondContact O-N 2.85Å |
| 419 | L | 87.1 | Confident | 66.2 | Low | 40 Ų | 40 | 112.4 Ų | 112.4 | 21% | 0.209 | 58% | 0.576 | C | S | . | * | trans | -65 | 131.7 | 177.6 | -69.3 | 167.6 | 0 | 0 | 0 | 111 | E217 M246 R421 | E217-L419 HydrophobicContact CB-CD1 3.51Å; E217-L419 HydrophobicContact CG-CD1 3.55Å; M246-L419 HydrophobicContact CB-CD2 4.21Å; M246-L419 HydrophobicContact CE-CD2 4.46Å; L419-R421 PolarHBondContact O-N 3Å | ||
| 420 | T | 81.3 | Confident | 63.8 | Low | 86 Ų | 86 | 118.5 Ų | 118.5 | 53% | 0.528 | 60% | 0.6 | S | S | . | * | trans | -68.9 | 106.7 | 169.6 | -38.6 | 0 | 0 | 0 | 0 | 106.7 | N242 G243 T418 R422 | N242-T420 PolarHBondContact O-OG1 2.79Å; G243-T420 PolarHBondContact O-N 3.44Å; T418-T420 PolarHBondContact O-N 2.85Å; T420-R422 PolarHBondContact O-N 3.45Å | ||
| 421 | R | 63.1 | Low | 61.9 | Low | 232 Ų | 232 | 120.9 Ų | 120.9 | 88% | 0.875 | 60% | 0.599 | S | S | * | * | trans | -46.5 | 116.9 | 178.6 | -176.4 | -176.7 | -70.1 | 172.6 | -0.6 | 107.9 | L419 K423 | L419-R421 PolarHBondContact O-N 3Å; R421-K423 PolarHBondContact O-N 3.34Å | ||
| 422 | R | 59 | Low | 60.2 | Low | 96 Ų | 96 | 121 Ų | 121 | 36% | 0.362 | 59% | 0.589 | S | S | . | * | trans | -49.4 | 125.2 | 168.2 | -94.6 | -175.3 | -168.3 | 158.1 | 12.7 | 105.8 | Q214 Y245 T420 E424 | Q214-R422 PolarHBondContact O-NH1 3.3Å; Y245-R422 PolarHBondContact OH-NH2 2.65Å; T420-R422 PolarHBondContact O-N 3.45Å; R422-E424 PolarHBondContact O-N 2.73Å | ||
| 423 | K | 43.1 | Very low | 57.8 | Low | 193 Ų | 193 | 126.5 Ų | 126.5 | 84% | 0.839 | 62% | 0.615 | S | S | * | * | trans | -51.8 | 109.1 | 153.9 | -76.2 | -178.6 | -179.7 | 175.5 | 0 | 102.9 | R421 V425 | R421-K423 PolarHBondContact O-N 3.34Å; K423-V425 PolarHBondContact O-N 2.77Å | ||
| 424 | E | 40.5 | Very low | 55.5 | Low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 63% | 0.629 | S | S | * | * | trans | -47.7 | 106.6 | 159.3 | -71.8 | -179.2 | 172 | 0 | 0 | 102.1 | R422 P426 | R422-E424 PolarHBondContact O-N 2.73Å; E424-P426 WeakPolarHBondContact O-CD 3.17Å | ||
| 425 | V | 39.3 | Very low | 53.3 | Low | 128 Ų | 128 | 133.8 Ų | 133.8 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | trans | -53.6 | 110.9 | 155.1 | 173.9 | 0 | 0 | 0 | 0 | 99.5 | K423 K427 | K423-V425 PolarHBondContact O-N 2.77Å; V425-K427 PolarHBondContact O-N 3.32Å | ||
| 426 | P | 35.5 | Very low | 51.1 | Low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 66% | 0.655 | S | S | * | * | trans | -49.8 | 118.8 | -179.5 | 19.4 | -29 | 0 | 0 | 0 | 101.9 | E424 K428 | E424-P426 WeakPolarHBondContact O-CD 3.17Å; P426-K428 VanDerWaalsContact C-N 3.27Å; P426-K428 PolarHBondContact O-N 3.02Å | ||
| 427 | K | 37.9 | Very low | 49 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 84% | 0.843 | 68% | 0.68 | S | S | * | * | trans | -41.6 | 114.5 | 170.9 | -87.7 | 177 | 176.6 | 169.9 | 0 | 101 | V425 E429 | V425-K427 PolarHBondContact O-N 3.32Å; K427-E429 PolarHBondContact O-N 3.46Å | ||
| 428 | K | 37.2 | Very low | 46.8 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | -51.8 | 105.8 | 165.8 | -104.2 | -176.9 | 176 | 179.6 | 0 | 99.1 | P426 K430 | P426-K428 VanDerWaalsContact C-N 3.27Å; P426-K428 PolarHBondContact O-N 3.02Å; K428-K430 PolarHBondContact O-N 2.93Å | ||
| 429 | E | 37.5 | Very low | 44.7 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -49.1 | 105.3 | 158.9 | -78.8 | 178.7 | 154.2 | 0 | 0 | 98.6 | K427 E431 | K427-E429 PolarHBondContact O-N 3.46Å; E429-E431 PolarHBondContact O-N 3.37Å | ||
| 430 | K | 33.9 | Very low | 42.7 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | -44.7 | 113.2 | 148.2 | -81.3 | -179.3 | 172.6 | 179.3 | 0 | 100 | K428 V432 | K428-K430 PolarHBondContact O-N 2.93Å; K430-V432 PolarHBondContact O-N 3.49Å | ||
| 431 | E | 33.8 | Very low | 41.4 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -45.9 | 100.1 | 159.1 | -84.3 | 178.8 | 142.1 | 0 | 0 | 102.4 | E429 E433 | E429-E431 PolarHBondContact O-N 3.37Å; E431-E433 PolarHBondContact O-N 3.3Å | ||
| 432 | V | 36.5 | Very low | 41.2 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | trans | -66.3 | 93.1 | 161 | 174.7 | 0 | 0 | 0 | 0 | 98.3 | K430 N434 | K430-V432 PolarHBondContact O-N 3.49Å; V432-N434 PolarHBondContact O-N 3.11Å | ||
| 433 | E | 34.1 | Very low | 41.1 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -40.7 | 109.2 | 148.1 | -92.1 | -175.8 | 146 | 0 | 0 | 103.5 | E431 H435 | E431-E433 PolarHBondContact O-N 3.3Å; E433-H435 PolarHBondContact O-N 2.89Å | ||
| 434 | N | 34.1 | Very low | 41.9 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -64.3 | 69.5 | 171 | -91.1 | -33.2 | 0 | 0 | 0 | 106.6 | V432 S436 | V432-N434 PolarHBondContact O-N 3.11Å; N434-S436 PolarHBondContact O-N 3.39Å | ||
| 435 | H | 37.8 | Very low | 43.2 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | -68 | 89.3 | 142.2 | -77.3 | -54 | 0 | 0 | 0 | 104.3 | E433 C437 | E433-H435 PolarHBondContact O-N 2.89Å; H435-C437 PolarHBondContact O-N 3Å | ||
| 436 | S | 38.3 | Very low | 44.8 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | trans | -44.8 | 98.3 | 154.7 | 62.2 | 0 | 0 | 0 | 0 | 106.2 | N434 G438 | N434-S436 PolarHBondContact O-N 3.39Å; S436-G438 PolarHBondContact O-N 3.48Å | ||
| 437 | C | 40.8 | Very low | 46.8 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | -73.3 | 78.9 | 165.4 | -159.8 | 0 | 0 | 0 | 0 | 103.7 | H435 L439 | H435-C437 PolarHBondContact O-N 3Å; C437-L439 VanDerWaalsContact C-N 3.25Å; C437-L439 PolarHBondContact O-N 2.83Å | ||
| 438 | G | 43 | Very low | 48.6 | Very low | 58 Ų | 58 | 117.7 Ų | 117.7 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | trans | -55.7 | 103.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | S436 G440 | S436-G438 PolarHBondContact O-N 3.48Å; G438-G440 WeakPolarHBondContact O-CA 3.34Å; G438-G440 PolarHBondContact O-N 2.87Å | ||
| 439 | L | 44.6 | Very low | 50.8 | Low | 151 Ų | 151 | 112.1 Ų | 112.1 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | trans | -54.7 | 100.9 | 163.6 | -151.5 | 85.1 | 0 | 0 | 0 | 104.1 | C437 V441 | C437-L439 VanDerWaalsContact C-N 3.25Å; C437-L439 PolarHBondContact O-N 2.83Å; L439-V441 PolarHBondContact O-N 3.41Å | ||
| 440 | G | 44.8 | Very low | 53 | Low | 37 Ų | 37 | 105.6 Ų | 105.6 | 38% | 0.381 | 63% | 0.633 | S | S | . | * | trans | -52.5 | 134.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G438 S442 A443 | G438-G440 WeakPolarHBondContact O-CA 3.34Å; G438-G440 PolarHBondContact O-N 2.87Å; G440-S442 PolarHBondContact O-N 2.81Å; G440-A443 PolarHBondContact O-N 3.39Å | ||
| 441 | V | 54.8 | Low | 55.4 | Low | 119 Ų | 119 | 100 Ų | 100 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -45.9 | -25.3 | 171 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | L439 T445 | L439-V441 PolarHBondContact O-N 3.41Å; V441-T445 HydrophobicContact CG1-CG2 4.27Å; V441-T445 WeakPolarHBondContact O-CB 3.42Å; V441-T445 VanDerWaalsContact O-CG2 3.24Å; V441-T445 WeakPolarHBondContact O-CG2 3.31Å; V441-T445 PolarHBondContact O-N 3.09Å; V441-T445 PolarHBondContact O-OG1 3.42Å |
| 442 | S | 57.9 | Low | 58 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.7 | -35.7 | 171.6 | -48 | 0 | 0 | 0 | 0 | 116.4 | G440 T445 G446 | G440-S442 PolarHBondContact O-N 2.81Å; S442-T445 WeakPolarHBondContact CA-OG1 3.5Å; S442-T445 PolarHBondContact O-OG1 3.26Å; S442-T445 VanDerWaalsContact O-OG1 3.08Å; S442-G446 PolarHBondContact O-N 3.42Å |
| 443 | A | 57.4 | Low | 60.5 | Low | 56 Ų | 56 | 94.9 Ų | 94.9 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -77.8 | -41.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G440 G446 V447 | G440-A443 PolarHBondContact O-N 3.39Å; A443-G446 PolarHBondContact O-N 3.01Å; A443-V447 WeakPolarHBondContact O-CG2 3.37Å; A443-V447 PolarHBondContact O-N 3.5Å |
| 444 | L | 60.9 | Low | 63.1 | Low | 124 Ų | 124 | 89.3 Ų | 89.3 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.7 | -37.6 | 176.6 | -168.8 | 67.2 | 0 | 0 | 0 | 111.8 | T448 | L444-T448 WeakPolarHBondContact O-CB 3.44Å; L444-T448 WeakPolarHBondContact O-CG2 3.46Å; L444-T448 PolarHBondContact O-N 2.77Å; L444-T448 VanDerWaalsContact O-N 3.1Å; L444-T448 PolarHBondContact O-OG1 2.83Å |
| 445 | T | 67.8 | Low | 65.7 | Low | 67 Ų | 67 | 84.3 Ų | 84.3 | 41% | 0.411 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -37.9 | 170.7 | 49.1 | 0 | 0 | 0 | 0 | 112 | V441 S442 T448 V449 | V441-T445 HydrophobicContact CG1-CG2 4.27Å; V441-T445 WeakPolarHBondContact O-CB 3.42Å; V441-T445 VanDerWaalsContact O-CG2 3.24Å; V441-T445 WeakPolarHBondContact O-CG2 3.31Å; V441-T445 PolarHBondContact O-N 3.09Å; V441-T445 PolarHBondContact O-OG1 3.42Å; S442-T445 WeakPolarHBondContact CA-OG1 3.5Å; S442-T445 PolarHBondContact O-OG1 3.26Å; S442-T445 VanDerWaalsContact O-OG1 3.08Å; T445-T448 VanDerWaalsContact CA-OG1 3.3Å; T445-T448 WeakPolarHBondContact CA-OG1 3.34Å; T445-T448 PolarHBondContact O-N 3.37Å; T445-T448 PolarHBondContact O-OG1 2.94Å; T445-T448 VanDerWaalsContact O-OG1 3.09Å; T445-V449 VanDerWaalsContact O-CB 3.26Å; T445-V449 WeakPolarHBondContact O-CB 3.42Å; T445-V449 WeakPolarHBondContact O-CG2 3.48Å; T445-V449 PolarHBondContact O-N 3.31Å |
| 446 | G | 72.4 | Confident | 68.2 | Low | 43 Ų | 43 | 82 Ų | 82 | 44% | 0.443 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S442 A443 G450 | S442-G446 PolarHBondContact O-N 3.42Å; A443-G446 PolarHBondContact O-N 3.01Å; G446-G450 PolarHBondContact O-N 3.43Å |
| 447 | V | 76.9 | Confident | 70.7 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 66% | 0.655 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.8 | -41.4 | 178.8 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | A443 G450 A451 | A443-V447 WeakPolarHBondContact O-CG2 3.37Å; A443-V447 PolarHBondContact O-N 3.5Å; V447-G450 PolarHBondContact O-N 3.07Å; V447-A451 WeakPolarHBondContact O-CB 3.09Å; V447-A451 PolarHBondContact O-N 2.97Å |
| 448 | T | 76.5 | Confident | 72.9 | Confident | 74 Ų | 74 | 83.7 Ų | 83.7 | 45% | 0.454 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 178.8 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | L444 T445 A451 V452 | L444-T448 WeakPolarHBondContact O-CB 3.44Å; L444-T448 WeakPolarHBondContact O-CG2 3.46Å; L444-T448 PolarHBondContact O-N 2.77Å; L444-T448 VanDerWaalsContact O-N 3.1Å; L444-T448 PolarHBondContact O-OG1 2.83Å; T445-T448 VanDerWaalsContact CA-OG1 3.3Å; T445-T448 WeakPolarHBondContact CA-OG1 3.34Å; T445-T448 PolarHBondContact O-N 3.37Å; T445-T448 PolarHBondContact O-OG1 2.94Å; T445-T448 VanDerWaalsContact O-OG1 3.09Å; T448-A451 PolarHBondContact O-N 3.47Å; T448-V452 VanDerWaalsContact O-CG2 3.27Å; T448-V452 WeakPolarHBondContact O-CG2 3.34Å; T448-V452 PolarHBondContact O-N 2.79Å |
| 449 | V | 83.4 | Confident | 75.1 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 111 | T445 V452 L453 | T445-V449 VanDerWaalsContact O-CB 3.26Å; T445-V449 WeakPolarHBondContact O-CB 3.42Å; T445-V449 WeakPolarHBondContact O-CG2 3.48Å; T445-V449 PolarHBondContact O-N 3.31Å; V449-V452 PolarHBondContact O-N 3.25Å; V449-L453 HydrophobicContact CG1-CD1 3.8Å; V449-L453 HydrophobicContact CG1-CG 4.36Å; V449-L453 WeakPolarHBondContact O-CB 3.41Å; V449-L453 WeakPolarHBondContact O-CG 3.44Å; V449-L453 PolarHBondContact O-N 3.32Å |
| 450 | G | 82.8 | Confident | 77.1 | Confident | 42 Ų | 42 | 80.9 Ų | 80.9 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G446 V447 G454 | G446-G450 PolarHBondContact O-N 3.43Å; V447-G450 PolarHBondContact O-N 3.07Å; G450-G454 PolarHBondContact O-N 3.29Å |
| 451 | A | 84.1 | Confident | 79 | Confident | 65 Ų | 65 | 85.4 Ų | 85.4 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V447 T448 G454 A455 | V447-A451 WeakPolarHBondContact O-CB 3.09Å; V447-A451 PolarHBondContact O-N 2.97Å; T448-A451 PolarHBondContact O-N 3.47Å; A451-G454 PolarHBondContact O-N 3.48Å; A451-A455 WeakPolarHBondContact O-CB 3.41Å; A451-A455 PolarHBondContact O-N 3.21Å |
| 452 | V | 89.2 | Confident | 80.5 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -44 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | T448 V449 G454 A455 L456 | T448-V452 VanDerWaalsContact O-CG2 3.27Å; T448-V452 WeakPolarHBondContact O-CG2 3.34Å; T448-V452 PolarHBondContact O-N 2.79Å; V449-V452 PolarHBondContact O-N 3.25Å; V452-G454 VanDerWaalsContact C-N 3.35Å; V452-A455 PolarHBondContact O-N 2.93Å; V452-L456 HydrophobicContact CG1-CD1 4.13Å; V452-L456 WeakPolarHBondContact O-CG 3.48Å; V452-L456 PolarHBondContact O-N 2.94Å |
| 453 | L | 87.9 | Confident | 81.8 | Confident | 99 Ų | 99 | 87.5 Ų | 87.5 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 175.8 | -75.8 | 170.9 | 0 | 0 | 0 | 111.8 | V449 L456 M457 | V449-L453 HydrophobicContact CG1-CD1 3.8Å; V449-L453 HydrophobicContact CG1-CG 4.36Å; V449-L453 WeakPolarHBondContact O-CB 3.41Å; V449-L453 WeakPolarHBondContact O-CG 3.44Å; V449-L453 PolarHBondContact O-N 3.32Å; L453-L456 PolarHBondContact O-N 3.31Å; L453-M457 PolarHBondContact O-N 3.25Å |
| 454 | G | 89.3 | Confident | 83 | Confident | 34 Ų | 34 | 91.4 Ų | 91.4 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G450 A451 V452 M457 L458 | G450-G454 PolarHBondContact O-N 3.29Å; A451-G454 PolarHBondContact O-N 3.48Å; V452-G454 VanDerWaalsContact C-N 3.35Å; G454-M457 PolarHBondContact O-N 2.82Å; G454-L458 WeakPolarHBondContact O-CG 3.33Å; G454-L458 PolarHBondContact O-N 3.26Å |
| 455 | A | 89.2 | Confident | 83.9 | Confident | 47 Ų | 47 | 94 Ų | 94 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A451 V452 L458 I459 | A451-A455 WeakPolarHBondContact O-CB 3.41Å; A451-A455 PolarHBondContact O-N 3.21Å; V452-A455 PolarHBondContact O-N 2.93Å; A455-L458 PolarHBondContact O-N 2.89Å; A455-I459 VanDerWaalsContact O-CG1 3.28Å; A455-I459 WeakPolarHBondContact O-CG1 2.97Å; A455-I459 PolarHBondContact O-N 3.17Å |
| 456 | L | 90.1 | Very high | 84.3 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.2 | -73.1 | 172.5 | 0 | 0 | 0 | 112.4 | V452 L453 I459 A460 | V452-L456 HydrophobicContact CG1-CD1 4.13Å; V452-L456 WeakPolarHBondContact O-CG 3.48Å; V452-L456 PolarHBondContact O-N 2.94Å; L453-L456 PolarHBondContact O-N 3.31Å; L456-I459 PolarHBondContact O-N 3.43Å; L456-A460 WeakPolarHBondContact O-CB 3.37Å; L456-A460 PolarHBondContact O-N 3.12Å |
| 457 | M | 89.8 | Confident | 84.3 | Confident | 141 Ų | 141 | 98.5 Ų | 98.5 | 70% | 0.695 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 174.2 | -78.1 | -162.8 | -167.3 | 0 | 0 | 112.1 | L453 G454 A460 F461 | L453-M457 PolarHBondContact O-N 3.25Å; G454-M457 PolarHBondContact O-N 2.82Å; M457-A460 PolarHBondContact O-N 3.35Å; M457-F461 VanDerWaalsContact O-CB 3.31Å; M457-F461 WeakPolarHBondContact O-CB 3.39Å; M457-F461 PolarHBondContact O-N 2.82Å |
| 458 | L | 88.3 | Confident | 84 | Confident | 124 Ų | 124 | 100.1 Ų | 100.1 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 177.1 | -72.6 | 171.5 | 0 | 0 | 0 | 111.9 | G454 A455 F461 Y462 | G454-L458 WeakPolarHBondContact O-CG 3.33Å; G454-L458 PolarHBondContact O-N 3.26Å; A455-L458 PolarHBondContact O-N 2.89Å; L458-F461 PolarHBondContact O-N 3.37Å; L458-Y462 WeakPolarHBondContact O-CB 3.27Å; L458-Y462 PolarHBondContact O-N 3.41Å |
| 459 | I | 88.3 | Confident | 83.4 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 174.9 | -67.6 | 166.1 | 0 | 0 | 0 | 110.4 | A455 L456 F461 Y462 F463 | A455-I459 VanDerWaalsContact O-CG1 3.28Å; A455-I459 WeakPolarHBondContact O-CG1 2.97Å; A455-I459 PolarHBondContact O-N 3.17Å; L456-I459 PolarHBondContact O-N 3.43Å; I459-F461 VanDerWaalsContact C-N 3.35Å; I459-F461 PolarHBondContact O-N 3.25Å; I459-Y462 WeakPolarHBondContact O-CB 3.44Å; I459-Y462 PolarHBondContact O-N 2.92Å; I459-F463 HydrophobicContact CG2-CD2 3.76Å; I459-F463 HydrophobicContact CG2-CE2 3.72Å; I459-F463 VanDerWaalsContact O-CD2 3.28Å; I459-F463 WeakPolarHBondContact O-CD2 3.42Å; I459-F463 PolarHBondContact O-N 3.04Å |
| 460 | A | 86.4 | Confident | 82.6 | Confident | 58 Ų | 58 | 104.2 Ų | 104.2 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L456 M457 Y462 F463 F464 | L456-A460 WeakPolarHBondContact O-CB 3.37Å; L456-A460 PolarHBondContact O-N 3.12Å; M457-A460 PolarHBondContact O-N 3.35Å; A460-Y462 VanDerWaalsContact C-N 3.34Å; A460-Y462 PolarHBondContact O-N 3.2Å; A460-F463 PolarHBondContact O-N 3.39Å; A460-F464 WeakPolarHBondContact O-CB 3.38Å; A460-F464 PolarHBondContact O-N 2.89Å |
| 461 | F | 85.8 | Confident | 81.6 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | 175.6 | -176.9 | -101.1 | 0 | 0 | 0 | 112 | M457 L458 I459 F464 R465 | M457-F461 VanDerWaalsContact O-CB 3.31Å; M457-F461 WeakPolarHBondContact O-CB 3.39Å; M457-F461 PolarHBondContact O-N 2.82Å; L458-F461 PolarHBondContact O-N 3.37Å; I459-F461 VanDerWaalsContact C-N 3.35Å; I459-F461 PolarHBondContact O-N 3.25Å; F461-F464 PolarHBondContact O-N 2.91Å; F461-R465 WeakPolarHBondContact O-CB 3.44Å; F461-R465 PolarHBondContact O-N 2.8Å |
| 462 | Y | 87.3 | Confident | 80.4 | Confident | 148 Ų | 148 | 107.5 Ų | 107.5 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.2 | -46.7 | 175 | 177 | -94.9 | 0 | 0 | 0 | 111.9 | L458 I459 A460 R465 K466 | L458-Y462 WeakPolarHBondContact O-CB 3.27Å; L458-Y462 PolarHBondContact O-N 3.41Å; I459-Y462 WeakPolarHBondContact O-CB 3.44Å; I459-Y462 PolarHBondContact O-N 2.92Å; A460-Y462 VanDerWaalsContact C-N 3.34Å; A460-Y462 PolarHBondContact O-N 3.2Å; Y462-R465 PolarHBondContact O-N 2.87Å; Y462-K466 HydrophobicContact CE1-CD 4.37Å; Y462-K466 WeakPolarHBondContact O-CB 3.33Å; Y462-K466 PolarHBondContact O-N 2.86Å |
| 463 | F | 84.9 | Confident | 79 | Confident | 112 Ų | 112 | 108.5 Ų | 108.5 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 176.8 | -82.6 | -73.3 | 0 | 0 | 0 | 112.7 | I459 A460 K466 N467 | I459-F463 HydrophobicContact CG2-CD2 3.76Å; I459-F463 HydrophobicContact CG2-CE2 3.72Å; I459-F463 VanDerWaalsContact O-CD2 3.28Å; I459-F463 WeakPolarHBondContact O-CD2 3.42Å; I459-F463 PolarHBondContact O-N 3.04Å; A460-F463 PolarHBondContact O-N 3.39Å; F463-K466 PolarHBondContact O-N 2.96Å; F463-N467 WeakPolarHBondContact O-CB 3.46Å; F463-N467 PolarHBondContact O-N 3.38Å |
| 464 | F | 81.5 | Confident | 77.6 | Confident | 138 Ų | 138 | 112.7 Ų | 112.7 | 61% | 0.605 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 176.2 | -144.8 | -93.8 | 0 | 0 | 0 | 110.9 | A460 F461 K466 N467 Y468 | A460-F464 WeakPolarHBondContact O-CB 3.38Å; A460-F464 PolarHBondContact O-N 2.89Å; F461-F464 PolarHBondContact O-N 2.91Å; F464-K466 PolarHBondContact O-N 3.2Å; F464-N467 PolarHBondContact O-N 3.07Å; F464-Y468 AromaticContact CD1-CD2 3.72Å; F464-Y468 HydrophobicContact CD1-CD2 3.72Å; F464-Y468 AromaticContact CD1-CE2 3.87Å; F464-Y468 HydrophobicContact CD1-CE2 3.87Å; F464-Y468 AromaticContact CE1-CD2 3.67Å; F464-Y468 HydrophobicContact CE1-CD2 3.67Å; F464-Y468 AromaticContact CE1-CE2 3.31Å; F464-Y468 HydrophobicContact CE1-CE2 3.31Å; F464-Y468 HydrophobicContact CZ-CE2 4.08Å; F464-Y468 WeakPolarHBondContact O-CB 3.45Å; F464-Y468 PolarHBondContact O-N 3.39Å |
| 465 | R | 79.3 | Confident | 76.1 | Confident | 179 Ų | 179 | 119.6 Ų | 119.6 | 68% | 0.675 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.1 | -39.6 | 175.6 | -168.7 | 178.7 | 177.4 | 157.3 | 1.1 | 111.8 | F461 Y462 R469 | F461-R465 WeakPolarHBondContact O-CB 3.44Å; F461-R465 PolarHBondContact O-N 2.8Å; Y462-R465 PolarHBondContact O-N 2.87Å; R465-R469 WeakPolarHBondContact O-CB 3.35Å; R465-R469 PolarHBondContact O-N 2.96Å |
| 466 | K | 76.3 | Confident | 74.4 | Confident | 103 Ų | 103 | 120.9 Ų | 120.9 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -45.5 | 176.1 | -170.8 | 176.1 | 179.7 | 178.4 | 0 | 111.5 | Y462 F463 F464 R469 I470 | Y462-K466 HydrophobicContact CE1-CD 4.37Å; Y462-K466 WeakPolarHBondContact O-CB 3.33Å; Y462-K466 PolarHBondContact O-N 2.86Å; F463-K466 PolarHBondContact O-N 2.96Å; F464-K466 PolarHBondContact O-N 3.2Å; K466-R469 PolarHBondContact O-N 2.94Å; K466-I470 HydrophobicContact CG-CD1 4.25Å; K466-I470 WeakPolarHBondContact O-CG1 3.44Å; K466-I470 PolarHBondContact O-N 2.92Å |
| 467 | N | 73.3 | Confident | 72.7 | Confident | 101 Ų | 101 | 126 Ų | 126 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68 | -38.8 | 177.2 | -86 | -7.5 | 0 | 0 | 0 | 112.5 | F463 F464 R469 I470 T471 | F463-N467 WeakPolarHBondContact O-CB 3.46Å; F463-N467 PolarHBondContact O-N 3.38Å; F464-N467 PolarHBondContact O-N 3.07Å; N467-R469 VanDerWaalsContact C-N 3.34Å; N467-R469 PolarHBondContact O-N 3.45Å; N467-I470 PolarHBondContact O-N 3.41Å; N467-T471 WeakPolarHBondContact O-CB 3.32Å; N467-T471 PolarHBondContact O-N 3.3Å; N467-T471 PolarHBondContact O-OG1 2.95Å |
| 468 | Y | 69.7 | Low | 71.1 | Confident | 142 Ų | 142 | 124.8 Ų | 124.8 | 56% | 0.557 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62 | -42.5 | 172.8 | -106.5 | -97.1 | 0 | 0 | 0 | 111.6 | F464 I470 T471 I472 | F464-Y468 AromaticContact CD1-CD2 3.72Å; F464-Y468 HydrophobicContact CD1-CD2 3.72Å; F464-Y468 AromaticContact CD1-CE2 3.87Å; F464-Y468 HydrophobicContact CD1-CE2 3.87Å; F464-Y468 AromaticContact CE1-CD2 3.67Å; F464-Y468 HydrophobicContact CE1-CD2 3.67Å; F464-Y468 AromaticContact CE1-CE2 3.31Å; F464-Y468 HydrophobicContact CE1-CE2 3.31Å; F464-Y468 HydrophobicContact CZ-CE2 4.08Å; F464-Y468 WeakPolarHBondContact O-CB 3.45Å; F464-Y468 PolarHBondContact O-N 3.39Å; Y468-I470 PolarHBondContact O-N 3.24Å; Y468-T471 PolarHBondContact O-N 3.49Å; Y468-I472 WeakPolarHBondContact O-CG1 3.05Å; Y468-I472 PolarHBondContact O-N 3.46Å |
| 469 | R | 64.8 | Low | 69.5 | Low | 179 Ų | 179 | 125.4 Ų | 125.4 | 68% | 0.675 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.5 | -41.7 | 177.2 | -158.9 | -176.8 | -169.1 | -159.4 | 3 | 112 | R465 K466 N467 T471 I472 Q473 | R465-R469 WeakPolarHBondContact O-CB 3.35Å; R465-R469 PolarHBondContact O-N 2.96Å; K466-R469 PolarHBondContact O-N 2.94Å; N467-R469 VanDerWaalsContact C-N 3.34Å; N467-R469 PolarHBondContact O-N 3.45Å; R469-T471 VanDerWaalsContact C-N 3.34Å; R469-I472 PolarHBondContact O-N 3.43Å; R469-Q473 WeakPolarHBondContact O-CB 3.39Å; R469-Q473 WeakPolarHBondContact O-CG 3.34Å; R469-Q473 PolarHBondContact O-N 3.43Å |
| 470 | I | 65.8 | Low | 67.8 | Low | 64 Ų | 64 | 127.9 Ų | 127.9 | 33% | 0.328 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.6 | -39 | 175.2 | -66.8 | 167.1 | 0 | 0 | 0 | 110.9 | K466 N467 Y468 Q473 R474 | K466-I470 HydrophobicContact CG-CD1 4.25Å; K466-I470 WeakPolarHBondContact O-CG1 3.44Å; K466-I470 PolarHBondContact O-N 2.92Å; N467-I470 PolarHBondContact O-N 3.41Å; Y468-I470 PolarHBondContact O-N 3.24Å; I470-Q473 PolarHBondContact O-N 3.02Å; I470-R474 WeakPolarHBondContact O-CG 3.29Å; I470-R474 PolarHBondContact O-N 3.42Å |
| 471 | T | 61.7 | Low | 66.1 | Low | 75 Ų | 75 | 129.3 Ų | 129.3 | 46% | 0.46 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.3 | -41.3 | 179 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | N467 Y468 R469 R474 R475 | N467-T471 WeakPolarHBondContact O-CB 3.32Å; N467-T471 PolarHBondContact O-N 3.3Å; N467-T471 PolarHBondContact O-OG1 2.95Å; Y468-T471 PolarHBondContact O-N 3.49Å; R469-T471 VanDerWaalsContact C-N 3.34Å; T471-R474 PolarHBondContact O-N 3.08Å; T471-R475 PolarHBondContact O-N 2.77Å |
| 472 | I | 59.9 | Low | 64.5 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.8 | -45.2 | 174 | -69.3 | 173.9 | 0 | 0 | 0 | 110.3 | Y468 R469 R474 R475 T476 | Y468-I472 WeakPolarHBondContact O-CG1 3.05Å; Y468-I472 PolarHBondContact O-N 3.46Å; R469-I472 PolarHBondContact O-N 3.43Å; I472-R474 VanDerWaalsContact C-N 3.25Å; I472-R474 PolarHBondContact O-N 2.99Å; I472-R475 PolarHBondContact O-N 2.82Å; I472-R475 VanDerWaalsContact O-N 3.11Å; I472-T476 HydrophobicContact CG2-CG2 4.48Å; I472-T476 PolarHBondContact O-N 2.78Å; I472-T476 PolarHBondContact O-OG1 3.08Å; I472-T476 VanDerWaalsContact O-OG1 3.05Å |
| 473 | Q | 59.4 | Low | 62.9 | Low | 109 Ų | 109 | 127.9 Ų | 127.9 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.3 | -28.7 | 177.2 | -76.1 | 179.7 | -28 | 0 | 0 | 113.6 | R469 I470 T476 R477 | R469-Q473 WeakPolarHBondContact O-CB 3.39Å; R469-Q473 WeakPolarHBondContact O-CG 3.34Å; R469-Q473 PolarHBondContact O-N 3.43Å; I470-Q473 PolarHBondContact O-N 3.02Å; Q473-T476 WeakPolarHBondContact CA-OG1 3.4Å; Q473-T476 PolarHBondContact O-OG1 3.11Å; Q473-R477 PolarHBondContact O-N 3.22Å |
| 474 | R | 58.8 | Low | 61.4 | Low | 187 Ų | 187 | 129.7 Ų | 129.7 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.9 | -33.9 | 172.6 | -75.6 | -177.4 | -179.2 | -173.2 | 0.4 | 112.7 | I470 T471 I472 V478 | I470-R474 WeakPolarHBondContact O-CG 3.29Å; I470-R474 PolarHBondContact O-N 3.42Å; T471-R474 PolarHBondContact O-N 3.08Å; I472-R474 VanDerWaalsContact C-N 3.25Å; I472-R474 PolarHBondContact O-N 2.99Å; R474-V478 WeakPolarHBondContact O-CG2 3.32Å |
| 475 | R | 57 | Low | 60 | Low | 180 Ų | 180 | 130.6 Ų | 130.6 | 68% | 0.679 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.2 | -41.2 | 174.1 | -78.2 | -172.9 | 179.5 | -177.5 | -0.4 | 112.2 | T471 I472 R477 V478 E479 | T471-R475 PolarHBondContact O-N 2.77Å; I472-R475 PolarHBondContact O-N 2.82Å; I472-R475 VanDerWaalsContact O-N 3.11Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R475-R477 PolarHBondContact O-N 2.69Å; R475-V478 PolarHBondContact O-N 3.07Å; R475-V478 VanDerWaalsContact O-N 3.07Å; R475-E479 PolarHBondContact O-N 2.88Å |
| 476 | T | 55.1 | Low | 58.7 | Low | 73 Ų | 73 | 129 Ų | 129 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.4 | -28.5 | 177.7 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | I472 Q473 V478 | I472-T476 HydrophobicContact CG2-CG2 4.48Å; I472-T476 PolarHBondContact O-N 2.78Å; I472-T476 PolarHBondContact O-OG1 3.08Å; I472-T476 VanDerWaalsContact O-OG1 3.05Å; Q473-T476 WeakPolarHBondContact CA-OG1 3.4Å; Q473-T476 PolarHBondContact O-OG1 3.11Å; T476-V478 VanDerWaalsContact C-N 3.33Å |
| 477 | R | 54.3 | Low | 57.6 | Low | 207 Ų | 207 | 130 Ų | 130 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.9 | -18.3 | 170.8 | -97 | -171.1 | -164.9 | -171.9 | 4.8 | 114.7 | Q473 R475 | Q473-R477 PolarHBondContact O-N 3.22Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R475-R477 PolarHBondContact O-N 2.69Å |
| 478 | V | 55.8 | Low | 56.6 | Low | 116 Ų | 116 | 131.5 Ų | 131.5 | 70% | 0.703 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -90.3 | -24.4 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | R474 R475 T476 P481 | R474-V478 WeakPolarHBondContact O-CG2 3.32Å; R475-V478 PolarHBondContact O-N 3.07Å; R475-V478 VanDerWaalsContact O-N 3.07Å; T476-V478 VanDerWaalsContact C-N 3.33Å; V478-P481 WeakPolarHBondContact O-CD 3.49Å |
| 479 | E | 53.7 | Low | 55.9 | Low | 138 Ų | 138 | 130.6 Ų | 130.6 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -89.2 | -7.8 | 178.3 | -73.9 | 173.4 | 169.1 | 0 | 0 | 114.4 | R475 | R475-E479 PolarHBondContact O-N 2.88Å |
| 480 | E | 52.8 | Low | 55.3 | Low | 143 Ų | 143 | 131.1 Ų | 131.1 | 67% | 0.668 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -15.6 | 178.4 | -104.9 | 174.1 | 170 | 0 | 0 | 117.6 | ||
| 481 | P | 51 | Low | 54.8 | Low | 88 Ų | 88 | 133.8 Ų | 133.8 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -15.7 | 176.2 | -3.8 | 20.7 | 0 | 0 | 0 | 114.9 | V478 | V478-P481 WeakPolarHBondContact O-CD 3.49Š|
| 482 | E | 53.3 | Low | 54.4 | Low | 157 Ų | 157 | 135.9 Ų | 135.9 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -23.4 | -172.1 | -68.8 | -161 | 153.2 | 0 | 0 | 114.3 | M484 | E482-M484 PolarHBondContact O-N 3.1Š|
| 483 | S | 53.3 | Low | 54 | Low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.5 | -32.9 | 177.5 | 169.6 | 0 | 0 | 0 | 0 | 113.3 | K485 | S483-K485 PolarHBondContact O-N 3Å |
| 484 | M | 52.2 | Low | 53.7 | Low | 149 Ų | 149 | 135.4 Ų | 135.4 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.3 | -23.9 | -176.1 | -122.5 | 174.6 | 105.9 | 0 | 0 | 113.9 | E482 | E482-M484 PolarHBondContact O-N 3.1Å |
| 485 | K | 51.8 | Low | 53.4 | Low | 157 Ų | 157 | 137.4 Ų | 137.4 | 68% | 0.683 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.7 | -27.7 | 178 | -76.6 | -178.2 | 177.3 | 176.4 | 0 | 113.4 | S483 | S483-K485 PolarHBondContact O-N 3Å |
| 486 | H | 53.4 | Low | 53.2 | Low | 146 Ų | 146 | 132.5 Ų | 132.5 | 68% | 0.676 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.6 | -23.7 | 179.5 | -91.6 | -65.9 | 0 | 0 | 0 | 113.9 | ||
| 487 | H | 53.5 | Low | 53.1 | Low | 124 Ų | 124 | 135.2 Ų | 135.2 | 57% | 0.574 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.5 | -32.1 | 176.3 | -143.6 | -71.1 | 0 | 0 | 0 | 112.4 | R490 E491 | H487-R490 PolarHBondContact O-N 2.98Å; H487-E491 IonicContact CE1-OE1 3.29Å; H487-E491 IonicContact ND1-OE1 3.86Å; H487-E491 PolarHBondContact O-N 3.36Å |
| 488 | Q | 52.5 | Low | 53.1 | Low | 132 Ų | 132 | 134.8 Ų | 134.8 | 62% | 0.617 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.5 | -32.7 | -179.5 | -127.8 | 156.1 | -1.7 | 0 | 0 | 113 | R490 | Q488-R490 VanDerWaalsContact C-N 3.3Å; Q488-R490 PolarHBondContact O-N 3.44Å |
| 489 | L | 53.5 | Low | 52.5 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 64% | 0.644 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.9 | -19.4 | 174.5 | -71.1 | 167.2 | 0 | 0 | 0 | 113.6 | ||
| 490 | R | 53.1 | Low | 52.1 | Low | 190 Ų | 190 | 133.1 Ų | 133.1 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -85.5 | -27.1 | 179.1 | -162.4 | 172.5 | -176.2 | 163.3 | 0.4 | 112.6 | H487 Q488 I494 | H487-R490 PolarHBondContact O-N 2.98Å; Q488-R490 VanDerWaalsContact C-N 3.3Å; Q488-R490 PolarHBondContact O-N 3.44Å; R490-I494 WeakPolarHBondContact O-CG1 3.32Å |
| 491 | E | 54.2 | Low | 51.4 | Low | 121 Ų | 121 | 135 Ų | 135 | 57% | 0.565 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -79.9 | -33.1 | 176.4 | -74.9 | -179.6 | 170.8 | 0 | 0 | 112.7 | H487 S493 I494 R495 | H487-E491 IonicContact CE1-OE1 3.29Å; H487-E491 IonicContact ND1-OE1 3.86Å; H487-E491 PolarHBondContact O-N 3.36Å; E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 3.3Å; E491-I494 PolarHBondContact O-N 3.38Å; E491-R495 PolarHBondContact O-N 3.5Å |
| 492 | D | 53 | Low | 51.5 | Low | 118 Ų | 118 | 137.3 Ų | 137.3 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -71.1 | -25.1 | 175 | -77.2 | -19.5 | 0 | 0 | 0 | 113.3 | I494 | D492-I494 VanDerWaalsContact C-N 3.35Å |
| 493 | S | 51.5 | Low | 51.4 | Low | 75 Ų | 75 | 136.3 Ų | 136.3 | 52% | 0.524 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -20.2 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 113.7 | E491 | E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 3.3Å |
| 494 | I | 53.5 | Low | 51.3 | Low | 125 Ų | 125 | 138.6 Ų | 138.6 | 64% | 0.641 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -21.3 | -177.9 | -64.3 | 172.6 | 0 | 0 | 0 | 110.7 | R490 E491 D492 | R490-I494 WeakPolarHBondContact O-CG1 3.32Å; E491-I494 PolarHBondContact O-N 3.38Å; D492-I494 VanDerWaalsContact C-N 3.35Å |
| 495 | R | 53.9 | Low | 51.2 | Low | 229 Ų | 229 | 138 Ų | 138 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -87.1 | -7.4 | -178.5 | -132.6 | 176 | -171.4 | 178.7 | 2.5 | 115.4 | E491 | E491-R495 PolarHBondContact O-N 3.5Š|
| 496 | S | 52.1 | Low | 51.2 | Low | 78 Ų | 78 | 136.8 Ų | 136.8 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -103.1 | -3.7 | -177.2 | 64.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 497 | N | 52 | Low | 51 | Low | 129 Ų | 129 | 136.2 Ų | 136.2 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -107.6 | 15.7 | -178.8 | -77 | -36.6 | 0 | 0 | 0 | 115.2 | ||
| 498 | F | 54.7 | Low | 50.8 | Low | 199 Ų | 199 | 137.1 Ų | 137.1 | 87% | 0.873 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -125.8 | 57.7 | 163.6 | -82.6 | -80.6 | 0 | 0 | 0 | 110.8 | ||
| 499 | S | 44.5 | Very low | 50.7 | Low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -155.7 | 118.5 | 149.2 | -91.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 500 | A | 43.3 | Very low | 50.5 | Low | 108 Ų | 108 | 138.7 Ų | 138.7 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | 81.5 | 77.5 | 171 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 501 | A | 39.8 | Very low | 50.2 | Low | 181 Ų | 181 | 134 Ų | 134 | 100% | 1.496 | 77% | 0.773 | S | S | * | * | -161.2 | 0 | 99.9 | 0 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 501 of 501 residues in 1196.3 ms
(Link to these results)