| 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 | 41.9 | Very low | 46.7 | Very low | 233 Ų | 233 | 158.8 Ų | 158.8 | 100% | 1.148 | 83% | 0.828 | S | S | * | * | 0 | 99.3 | 0 | -49.6 | -171.3 | -61.9 | 0 | 0 | 104.9 | |||||
| 2 | L | 38.7 | Very low | 46.8 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | 60.1 | 140.1 | 78.3 | -104.1 | 79.5 | 0 | 0 | 0 | 112.9 | |||||
| 3 | P | 49.4 | Very low | 46.9 | Very low | 92 Ų | 92 | 149.6 Ų | 149.6 | 60% | 0.597 | 80% | 0.803 | S | S | * | * | -132.2 | 164.4 | -104.7 | 33.6 | -15.5 | 0 | 0 | 0 | 114.8 | I5 | P3-I5 HydrophobicContact CG-CG1 4.14Å; P3-I5 PolarHBondContact O-N 3.44Å | |||
| 4 | F | 44 | Very low | 47.3 | Very low | 214 Ų | 214 | 149.9 Ų | 149.9 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | -73 | 95 | 165.7 | -78.8 | -87.8 | 0 | 0 | 0 | 110.1 | ||||
| 5 | I | 51.5 | Low | 47.1 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | trans | -77.3 | 131.8 | 172.8 | -66 | -179.6 | 0 | 0 | 0 | 109.2 | P3 | P3-I5 HydrophobicContact CG-CG1 4.14Å; P3-I5 PolarHBondContact O-N 3.44Å | ||
| 6 | L | 51.6 | Low | 46.8 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -69.3 | 130.4 | 175.8 | -63.1 | 80.1 | 0 | 0 | 0 | 109.9 | ||||
| 7 | F | 48.9 | Very low | 46.8 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -153 | 105.1 | 161 | -133.1 | -85.6 | 0 | 0 | 0 | 112.1 | ||||
| 8 | S | 45.3 | Very low | 46.9 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -177.3 | 138.4 | 131.5 | -82.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 9 | T | 49.7 | Very low | 47.5 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | 49.6 | 82.2 | 153.7 | 57 | 0 | 0 | 0 | 0 | 117.8 | L11 | T9-L11 PolarHBondContact O-N 3.34Š| ||
| 10 | L | 44.2 | Very low | 48.4 | Very low | 178 Ų | 178 | 144 Ų | 144 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | trans | -63.4 | 69.3 | 138.2 | -80.4 | 163.8 | 0 | 0 | 0 | 109.3 | S12 | L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.88Å | ||
| 11 | L | 48.4 | Very low | 49.1 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -90.2 | 75.4 | 170.9 | -165.6 | 74.3 | 0 | 0 | 0 | 108.2 | T9 P13 | T9-L11 PolarHBondContact O-N 3.34Å; L11-P13 WeakPolarHBondContact O-CD 2.95Å | ||
| 12 | S | 47.8 | Very low | 50.6 | Low | 84 Ų | 84 | 134.8 Ų | 134.8 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | trans | -52.6 | 123 | 168.4 | -59.2 | 0 | 0 | 0 | 0 | 108.3 | L10 I14 | L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.88Å; S12-I14 PolarHBondContact O-N 3.14Å | ||
| 13 | P | 48.1 | Very low | 52.6 | Low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | trans | -63.2 | 110.3 | 170.2 | 26.2 | -31.6 | 0 | 0 | 0 | 106.9 | L11 L15 | L11-P13 WeakPolarHBondContact O-CD 2.95Å; P13-L15 PolarHBondContact O-N 3.06Å | ||
| 14 | I | 53.4 | Low | 54.5 | Low | 154 Ų | 154 | 130.1 Ų | 130.1 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | trans | -67.4 | 90.9 | 165.4 | -60.1 | 176.6 | 0 | 0 | 0 | 104.8 | S12 T16 | S12-I14 PolarHBondContact O-N 3.14Å; I14-T16 PolarHBondContact O-N 2.83Å | ||
| 15 | L | 43.4 | Very low | 56.7 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | trans | -71.2 | 87 | 173 | -158.6 | 82.8 | 0 | 0 | 0 | 105.9 | P13 E17 | P13-L15 PolarHBondContact O-N 3.06Å; L15-E17 PolarHBondContact O-N 2.71Å | ||
| 16 | T | 43.2 | Very low | 58.7 | Low | 120 Ų | 120 | 118.2 Ų | 118.2 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | -55.2 | 106.4 | 176.8 | -52.1 | 0 | 0 | 0 | 0 | 107.6 | I14 S18 | I14-T16 PolarHBondContact O-N 2.83Å; T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 3.26Å | ||
| 17 | E | 45.5 | Very low | 60.5 | Low | 146 Ų | 146 | 111.5 Ų | 111.5 | 68% | 0.682 | 59% | 0.593 | S | S | * | * | trans | -62.7 | 98.9 | 178.3 | -176.3 | -175.2 | -132.7 | 0 | 0 | 106.9 | L15 E19 K41 | L15-E17 PolarHBondContact O-N 2.71Å; E17-E19 PolarHBondContact O-N 2.75Å; E17-E19 VanDerWaalsContact O-N 3.12Å; E17-K41 IonicContact OE2-NZ 3.94Å; E17-K41 PolarHBondContact OE2-NZ 2.88Å | ||
| 18 | S | 49.8 | Very low | 62.5 | Low | 105 Ų | 105 | 106 Ų | 106 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | trans | -52.5 | 122.3 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | T16 K20 | T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 3.26Å; S18-K20 PolarHBondContact O-N 2.69Å | ||
| 19 | E | 58.7 | Low | 64.6 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | trans | -47.2 | 114.4 | -179.8 | -82.1 | -155 | 143.1 | 0 | 0 | 109.2 | E17 Q21 S35 | E17-E19 PolarHBondContact O-N 2.75Å; E17-E19 VanDerWaalsContact O-N 3.12Å; E19-Q21 PolarHBondContact O-N 2.78Å; E19-S35 WeakPolarHBondContact OE2-CB 3.16Å; E19-S35 PolarHBondContact OE2-OG 3.03Å | ||
| 20 | K | 64 | Low | 66.5 | Low | 172 Ų | 172 | 95.6 Ų | 95.6 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | trans | -73.5 | 99.3 | -176 | -170.4 | 178.7 | -179.4 | -176.9 | 0 | 107.9 | S18 Q22 | S18-K20 PolarHBondContact O-N 2.69Å; K20-Q22 PolarHBondContact O-N 3.36Å | ||
| 21 | Q | 63.2 | Low | 68.8 | Low | 105 Ų | 105 | 88.7 Ų | 88.7 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | trans | -52.6 | 109.4 | 174.1 | -174.4 | -179.6 | -29.7 | 0 | 0 | 108.9 | E19 | E19-Q21 PolarHBondContact O-N 2.78Š| ||
| 22 | Q | 74.8 | Confident | 70.9 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | trans | -81.2 | -29.9 | -162.5 | 179.3 | 62.6 | 22.1 | 0 | 0 | 111.7 | K20 Y34 Y36 | K20-Q22 PolarHBondContact O-N 3.36Å; Q22-Y34 HydrophobicContact CB-CD2 4.11Å; Q22-Y34 HydrophobicContact CB-CE2 3.68Å; Q22-Y34 HydrophobicContact CG-CE2 3.73Å; Q22-Y34 PolarHBondContact N-O 3.1Å; Q22-Y36 HydrophobicContact CB-CD2 4.49Å; Q22-Y36 HydrophobicContact CB-CE2 4.08Å; Q22-Y36 HydrophobicContact CG-CE2 3.79Å | ||
| 23 | W | 80.3 | Confident | 73 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 20% | 0.201 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 158.2 | 176.7 | -179.9 | 76.1 | 0 | 0 | 0 | 111.4 | C25 I32 S33 Y34 S48 | W23-C25 HydrophobicContact CH2-CB 3.72Å; W23-C25 WeakPolarHBondContact CH2-SG 3.21Å; W23-C25 HydrophobicContact CZ2-CB 3.52Å; W23-C25 HydrophobicContact CZ3-CB 4.47Å; W23-I32 HydrophobicContact CZ3-CB 4.46Å; W23-I32 HydrophobicContact CZ3-CG2 3.98Å; W23-S33 WeakPolarHBondContact O-CA 3.44Å; W23-S33 VanDerWaalsContact O-CB 3.25Å; W23-S33 WeakPolarHBondContact O-CB 3.17Å; W23-Y34 HydrophobicContact CB-CD1 4.09Å; W23-Y34 HydrophobicContact CB-CE1 3.47Å; W23-Y34 VanDerWaalsContact CB-CE1 3.47Å; W23-Y34 HydrophobicContact CD2-CE1 4.11Å; W23-Y34 AromaticContact CE3-CD1 3.84Å; W23-Y34 HydrophobicContact CE3-CD1 3.84Å; W23-Y34 AromaticContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CG-CE1 4.06Å; W23-Y34 PolarHBondContact O-N 3.04Å; W23-S48 WeakPolarHBondContact CH2-OG 3.48Å |
| 24 | F | 89.7 | Confident | 74.9 | Confident | 107 Ų | 107 | 73.3 Ų | 73.3 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 137 | -179.9 | 173.6 | -92.7 | 0 | 0 | 0 | 109.5 | N26 I31 I32 | F24-N26 HydrophobicContact CE1-CB 3.95Å; F24-N26 HydrophobicContact CZ-CB 4.23Å; F24-I31 HydrophobicContact CD2-CG2 3.99Å; F24-I31 HydrophobicContact CE2-CG2 3.28Å; F24-I31 HydrophobicContact CZ-CG2 3.85Å; F24-I32 CarbonylContact C-O 3.57Å; F24-I32 WeakPolarHBondContact CA-O 3.37Å |
| 25 | C | 90.3 | Very high | 76.6 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.3 | 165.2 | 91.3 | 0 | 0 | 0 | 0 | 111.8 | W23 I32 C51 | W23-C25 HydrophobicContact CH2-CB 3.72Å; W23-C25 WeakPolarHBondContact CH2-SG 3.21Å; W23-C25 HydrophobicContact CZ2-CB 3.52Å; W23-C25 HydrophobicContact CZ3-CB 4.47Å; C25-I32 PolarHBondContact N-O 2.98Å; C25-I32 PolarHBondContact O-N 2.79Å; C25-C51 HydrophobicContact CB-CB 3.6Å; C25-C51 WeakPolarHBondContact CB-SG 3.2Å; C25-C51 VanDerWaalsContact SG-CA 3.57Å; C25-C51 WeakPolarHBondContact SG-CB 3.39Å; C25-C51 CovalentContact SG-SG 2.03Å; C25-C51 PolarHBondContact SG-SG 2.89Å |
| 26 | N | 92 | Very high | 78.5 | Confident | 89 Ų | 89 | 60.8 Ų | 60.8 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.7 | -175.1 | -175.7 | -25.6 | 0 | 0 | 0 | 108 | F24 C51 R138 | F24-N26 HydrophobicContact CE1-CB 3.95Å; F24-N26 HydrophobicContact CZ-CB 4.23Å; N26-C51 PolarHBondContact N-SG 3.32Å; N26-R138 PolarHBondContact OD1-NH1 2.75Å; N26-R138 PolarHBondContact OD1-NH2 3.05Å |
| 27 | S | 91 | Very high | 80.4 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | trans | -111 | -172.2 | 176.7 | 75 | 0 | 0 | 0 | 0 | 110.6 | A30 I52 R138 | S27-A30 PolarHBondContact N-O 2.88Å; S27-A30 PolarHBondContact OG-N 2.65Å; S27-A30 PolarHBondContact OG-O 3.22Å; S27-I52 WeakPolarHBondContact CB-O 3.32Å; S27-I52 PolarHBondContact OG-O 3.29Å; S27-R138 PolarHBondContact O-NH2 3.26Å | ||
| 28 | S | 90.2 | Very high | 81.3 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -74.6 | -23.4 | -178.1 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | R53 | S28-R53 PolarHBondContact OG-NE 3.49Š|
| 29 | D | 88.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -120.7 | -22.2 | 178.9 | 55.4 | 26.9 | 0 | 0 | 0 | 113.8 | R53 L54 R55 H137 R138 R139 | D29-R53 WeakPolarHBondContact OD1-CA 3.02Å; D29-L54 PolarHBondContact OD1-N 3.07Å; D29-L54 PolarHBondContact OD2-N 3.26Å; D29-R55 PolarHBondContact OD2-N 3.02Å; D29-H137 PolarHBondContact O-CD2 3.25Å; D29-R138 PolarHBondContact O-N 3.48Å; D29-R139 PolarHBondContact O-N 2.74Å |
| 30 | A | 89.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 158.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S27 I32 L54 I136 R138 | S27-A30 PolarHBondContact N-O 2.88Å; S27-A30 PolarHBondContact OG-N 2.65Å; S27-A30 PolarHBondContact OG-O 3.22Å; A30-I32 HydrophobicContact CB-CG1 4.43Å; A30-L54 HydrophobicContact CB-CD1 3.79Å; A30-L54 HydrophobicContact CB-CG 3.91Å; A30-I136 CarbonylContact C-O 3.55Å; A30-I136 WeakPolarHBondContact CA-O 3.39Å; A30-R138 PolarHBondContact O-NH2 2.04Å |
| 31 | I | 92.3 | Very high | 82.2 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.2 | 158.5 | -63.4 | 174 | 0 | 0 | 0 | 106.1 | F24 I135 I136 | F24-I31 HydrophobicContact CD2-CG2 3.99Å; F24-I31 HydrophobicContact CE2-CG2 3.28Å; F24-I31 HydrophobicContact CZ-CG2 3.85Å; I31-I135 CarbonylContact O-C 3.45Å; I31-I135 WeakPolarHBondContact O-CA 3.2Å; I31-I136 HydrophobicContact CB-CB 4.29Å; I31-I136 PolarHBondContact N-O 2.72Å; I31-I136 PolarHBondContact O-N 3.18Å |
| 32 | I | 92.1 | Very high | 82.3 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.3 | 179.7 | -54.2 | -172.2 | 0 | 0 | 0 | 109.3 | W23 F24 C25 A30 I52 F133 T134 I135 | W23-I32 HydrophobicContact CZ3-CB 4.46Å; W23-I32 HydrophobicContact CZ3-CG2 3.98Å; F24-I32 CarbonylContact C-O 3.57Å; F24-I32 WeakPolarHBondContact CA-O 3.37Å; C25-I32 PolarHBondContact N-O 2.98Å; C25-I32 PolarHBondContact O-N 2.79Å; A30-I32 HydrophobicContact CB-CG1 4.43Å; I32-I52 HydrophobicContact CD1-CB 3.71Å; I32-I52 HydrophobicContact CD1-CD1 4.28Å; I32-I52 HydrophobicContact CD1-CG2 4.1Å; I32-F133 HydrophobicContact CG2-CD1 4.37Å; I32-T134 WeakPolarHBondContact CA-O 3.37Å; I32-I135 HydrophobicContact CD1-CG1 4.41Å; I32-I135 HydrophobicContact CG1-CG1 4.16Å; I32-I135 HydrophobicContact CG1-CG2 4.25Å; I32-I135 HydrophobicContact CG2-CG1 4.11Å |
| 33 | S | 92.3 | Very high | 82.1 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 168.2 | 171.1 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | W23 F133 T134 | W23-S33 WeakPolarHBondContact O-CA 3.44Å; W23-S33 VanDerWaalsContact O-CB 3.25Å; W23-S33 WeakPolarHBondContact O-CB 3.17Å; S33-F133 CarbonylContact O-C 3.53Å; S33-F133 VanDerWaalsContact O-CA 3.31Å; S33-F133 WeakPolarHBondContact O-CA 2.9Å; S33-T134 PolarHBondContact N-O 2.77Å; S33-T134 PolarHBondContact O-N 3.33Å |
| 34 | Y | 89.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.4 | 164.2 | 63.7 | -96 | 0 | 0 | 0 | 112.1 | Q22 W23 I46 L131 N132 F133 | Q22-Y34 HydrophobicContact CB-CD2 4.11Å; Q22-Y34 HydrophobicContact CB-CE2 3.68Å; Q22-Y34 HydrophobicContact CG-CE2 3.73Å; Q22-Y34 PolarHBondContact N-O 3.1Å; W23-Y34 HydrophobicContact CB-CD1 4.09Å; W23-Y34 HydrophobicContact CB-CE1 3.47Å; W23-Y34 VanDerWaalsContact CB-CE1 3.47Å; W23-Y34 HydrophobicContact CD2-CE1 4.11Å; W23-Y34 AromaticContact CE3-CD1 3.84Å; W23-Y34 HydrophobicContact CE3-CD1 3.84Å; W23-Y34 AromaticContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CG-CE1 4.06Å; W23-Y34 PolarHBondContact O-N 3.04Å; Y34-I46 HydrophobicContact CE1-CB 4.03Å; Y34-I46 WeakPolarHBondContact CE1-O 3.12Å; Y34-I46 PolarHBondContact OH-N 2.03Å; Y34-I46 PolarHBondContact OH-O 3.35Å; Y34-L131 HydrophobicContact CD2-CD1 4.49Å; Y34-L131 HydrophobicContact CD2-CD2 3.79Å; Y34-L131 HydrophobicContact CE2-CD1 4.47Å; Y34-L131 HydrophobicContact CE2-CD2 3.92Å; Y34-N132 WeakPolarHBondContact CA-O 3.19Å; Y34-F133 HydrophobicContact CD1-CD1 4.06Å; Y34-F133 AromaticContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CZ 4Å; Y34-F133 HydrophobicContact CE1-CE1 4.33Å; Y34-F133 HydrophobicContact CG-CD1 4.36Å; Y34-F133 HydrophobicContact CG-CE1 4.09Å; Y34-F133 HydrophobicContact CG-CZ 4.37Å |
| 35 | S | 87.4 | Confident | 81.4 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 162.5 | 156.6 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | E19 N132 | E19-S35 WeakPolarHBondContact OE2-CB 3.16Å; E19-S35 PolarHBondContact OE2-OG 3.03Å; S35-N132 PolarHBondContact N-O 3.19Å; S35-N132 PolarHBondContact O-N 2.92Å |
| 36 | Y | 84.6 | Confident | 81.2 | Confident | 35 Ų | 35 | 50 Ų | 50 | 14% | 0.137 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 150.2 | 158.9 | -65.3 | -75.2 | 0 | 0 | 0 | 109 | Q22 F42 I44 L131 | Q22-Y36 HydrophobicContact CB-CD2 4.49Å; Q22-Y36 HydrophobicContact CB-CE2 4.08Å; Q22-Y36 HydrophobicContact CG-CE2 3.79Å; Y36-F42 WeakPolarHBondContact CE1-O 3.34Å; Y36-F42 PolarHBondContact OH-O 3.21Å; Y36-I44 HydrophobicContact CE1-CG2 3.76Å; Y36-I44 PolarHBondContact OH-N 3.05Å; Y36-I44 PolarHBondContact OH-O 3.18Å; Y36-I44 VanDerWaalsContact OH-O 3.09Å; Y36-L131 HydrophobicContact CD1-CD2 3.78Å; Y36-L131 HydrophobicContact CE1-CD2 3.94Å |
| 37 | C | 82.1 | Confident | 81 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | trans | -72.7 | 134.4 | 166.9 | -46.2 | 0 | 0 | 0 | 0 | 109.9 | H39 L40 C130 | C37-H39 PolarHBondContact O-N 3.19Å; C37-L40 PolarHBondContact O-N 2.95Å; C37-C130 HydrophobicContact CB-CB 3.6Å; C37-C130 WeakPolarHBondContact CB-SG 3.47Å; C37-C130 PolarHBondContact N-O 2.72Å; C37-C130 WeakPolarHBondContact SG-CB 3.5Å; C37-C130 PolarHBondContact SG-O 2.76Å; C37-C130 VanDerWaalsContact SG-O 3.35Å; C37-C130 CovalentContact SG-SG 2.03Å; C37-C130 PolarHBondContact SG-SG 2.68Å | ||
| 38 | D | 65.1 | Low | 80.9 | Confident | 116 Ų | 116 | 47.4 Ų | 47.4 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.1 | -37.6 | -175.7 | -79.2 | -68.9 | 0 | 0 | 0 | 117.7 | ||
| 39 | H | 68.1 | Low | 80.9 | Confident | 177 Ų | 177 | 50 Ų | 50 | 82% | 0.819 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -8.7 | -168.8 | -53 | -30 | 0 | 0 | 0 | 115.2 | C37 | C37-H39 PolarHBondContact O-N 3.19Š|
| 40 | L | 61.2 | Low | 81.1 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 20% | 0.204 | 28% | 0.283 | C | S | . | . | trans | -136.4 | 68.9 | -169.5 | -76.3 | 149.7 | 0 | 0 | 0 | 112.7 | C37 F42 K127 C130 | C37-L40 PolarHBondContact O-N 2.95Å; L40-F42 HydrophobicContact CD2-CD2 4.37Å; L40-F42 HydrophobicContact CD2-CE2 3.61Å; L40-F42 HydrophobicContact CD2-CZ 4.36Å; L40-F42 PolarHBondContact O-N 3.32Å; L40-K127 HydrophobicContact CD1-CB 3.57Å; L40-K127 HydrophobicContact CD1-CD 3.54Å; L40-K127 HydrophobicContact CD1-CG 4.13Å; L40-K127 HydrophobicContact CD2-CB 3.99Å; L40-K127 HydrophobicContact CG-CB 4.44Å; L40-C130 HydrophobicContact CB-CB 4.46Å; L40-C130 HydrophobicContact CD1-CB 4.32Å | ||
| 41 | K | 61.6 | Low | 81.2 | Confident | 137 Ų | 137 | 54.3 Ų | 54.3 | 60% | 0.596 | 29% | 0.29 | S | S | * | . | trans | -82.1 | 81.5 | 176.1 | -63.2 | -179 | -179.8 | 178.4 | 0 | 111.6 | E17 | E17-K41 IonicContact OE2-NZ 3.94Å; E17-K41 PolarHBondContact OE2-NZ 2.88Å | ||
| 42 | F | 66.3 | Low | 81.1 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | trans | -102.5 | 144.8 | 166.7 | -64.9 | -63.5 | 0 | 0 | 0 | 110.7 | Y36 L40 I44 K68 L128 | Y36-F42 WeakPolarHBondContact CE1-O 3.34Å; Y36-F42 PolarHBondContact OH-O 3.21Å; L40-F42 HydrophobicContact CD2-CD2 4.37Å; L40-F42 HydrophobicContact CD2-CE2 3.61Å; L40-F42 HydrophobicContact CD2-CZ 4.36Å; L40-F42 PolarHBondContact O-N 3.32Å; F42-I44 PolarHBondContact O-N 3.2Å; F42-K68 VanDerWaalsContact CZ-NZ 3.32Å; F42-L128 WeakPolarHBondContact CD2-O 3.31Å | ||
| 43 | P | 69.3 | Low | 80.9 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 66% | 0.662 | 31% | 0.31 | S | S | * | . | trans | -72.5 | 100.4 | -179.8 | 29.7 | -34 | 0 | 0 | 0 | 111.2 | ||||
| 44 | I | 76.3 | Confident | 80.6 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.3 | 168.3 | 172.1 | 163.4 | 0 | 0 | 0 | 109.7 | Y36 F42 I46 V63 E64 F65 F129 L131 | Y36-I44 HydrophobicContact CE1-CG2 3.76Å; Y36-I44 PolarHBondContact OH-N 3.05Å; Y36-I44 PolarHBondContact OH-O 3.18Å; Y36-I44 VanDerWaalsContact OH-O 3.09Å; F42-I44 PolarHBondContact O-N 3.2Å; I44-I46 HydrophobicContact CD1-CD1 3.99Å; I44-I46 HydrophobicContact CD1-CG1 4.05Å; I44-I46 HydrophobicContact CG1-CD1 4.34Å; I44-I46 HydrophobicContact CG1-CG1 3.88Å; I44-V63 HydrophobicContact CD1-CG1 4.34Å; I44-E64 WeakPolarHBondContact CA-O 3.3Å; I44-F65 HydrophobicContact CB-CB 3.85Å; I44-F65 HydrophobicContact CD1-CB 4.01Å; I44-F65 HydrophobicContact CD1-CG 4.2Å; I44-F65 HydrophobicContact CG1-CB 3.87Å; I44-F129 HydrophobicContact CD1-CD1 3.8Å; I44-F129 HydrophobicContact CD1-CD2 4.27Å; I44-F129 HydrophobicContact CD1-CE1 3.56Å; I44-F129 HydrophobicContact CD1-CE2 4.06Å; I44-F129 HydrophobicContact CD1-CG 4.15Å; I44-F129 HydrophobicContact CD1-CZ 3.69Å; I44-F129 HydrophobicContact CG2-CB 4.08Å; I44-F129 HydrophobicContact CG2-CG 4.24Å; I44-L131 HydrophobicContact CG2-CD2 4.11Å |
| 45 | S | 80.4 | Confident | 80.5 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 38% | 0.378 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.7 | 173.2 | -164.1 | 0 | 0 | 0 | 0 | 108.9 | V63 E64 | S45-V63 WeakPolarHBondContact O-CA 3.46Å; S45-E64 PolarHBondContact N-O 3.22Å; S45-E64 PolarHBondContact O-N 3.1Å |
| 46 | I | 84.5 | Confident | 80.4 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.7 | 170.7 | -54.5 | -170.6 | 0 | 0 | 0 | 107.7 | Y34 I44 V61 H62 V63 L131 F133 | Y34-I46 HydrophobicContact CE1-CB 4.03Å; Y34-I46 WeakPolarHBondContact CE1-O 3.12Å; Y34-I46 PolarHBondContact OH-N 2.03Å; Y34-I46 PolarHBondContact OH-O 3.35Å; I44-I46 HydrophobicContact CD1-CD1 3.99Å; I44-I46 HydrophobicContact CD1-CG1 4.05Å; I44-I46 HydrophobicContact CG1-CD1 4.34Å; I44-I46 HydrophobicContact CG1-CG1 3.88Å; I46-V61 HydrophobicContact CG2-CG1 3.6Å; I46-H62 WeakPolarHBondContact CA-O 3.35Å; I46-V63 HydrophobicContact CG1-CG1 4.39Å; I46-L131 HydrophobicContact CD1-CD1 3.47Å; I46-L131 VanDerWaalsContact CD1-CD1 3.47Å; I46-L131 HydrophobicContact CG1-CD1 4.19Å; I46-F133 HydrophobicContact CD1-CZ 4.42Å |
| 47 | S | 88.9 | Confident | 80.6 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 161.6 | 168.7 | 69.8 | 0 | 0 | 0 | 0 | 110.6 | V61 H62 | S47-V61 CarbonylContact O-C 3.4Å; S47-V61 VanDerWaalsContact O-CA 3.32Å; S47-V61 WeakPolarHBondContact O-CA 3.3Å; S47-V61 WeakPolarHBondContact O-CG1 3.39Å; S47-H62 PolarHBondContact N-O 3.1Å; S47-H62 PolarHBondContact O-N 2.82Å |
| 48 | S | 88.8 | Confident | 81 | Confident | 14 Ų | 14 | 67.2 Ų | 67.2 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.1 | 176.9 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | W23 P50 C51 F60 | W23-S48 WeakPolarHBondContact CH2-OG 3.48Å; S48-P50 CarbonylContact C-O 3.55Å; S48-P50 CarbonylContact O-C 3.58Å; S48-P50 VanDerWaalsContact O-C 3.3Å; S48-P50 PolarHBondContact OG-O 2.86Å; S48-C51 PolarHBondContact O-N 2.94Å; S48-F60 CarbonylContact C-O 3.49Å; S48-F60 WeakPolarHBondContact CA-O 3.47Å |
| 49 | E | 90.4 | Very high | 82.3 | Confident | 135 Ų | 135 | 62.2 Ų | 62.2 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 117.9 | 172.3 | -169.5 | 167.4 | 174.8 | 0 | 0 | 110.9 | G59 F60 | E49-G59 CarbonylContact O-C 3.3Å; E49-G59 WeakPolarHBondContact O-CA 3.08Å; E49-F60 PolarHBondContact N-O 3.11Å; E49-F60 PolarHBondContact O-N 2.91Å |
| 50 | P | 92.4 | Very high | 83.2 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | S | Bend | cis | -69.9 | 170.8 | -9.7 | 33 | -37.2 | 0 | 0 | 0 | 112.7 | S48 I52 T57 N58 | S48-P50 CarbonylContact C-O 3.55Å; S48-P50 CarbonylContact O-C 3.58Å; S48-P50 VanDerWaalsContact O-C 3.3Å; S48-P50 PolarHBondContact OG-O 2.86Å; P50-I52 PolarHBondContact O-N 2.8Å; P50-T57 HydrophobicContact CG-CG2 4.18Å; P50-N58 WeakPolarHBondContact CD-O 3.01Å |
| 51 | C | 91.3 | Very high | 84.5 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 131.8 | 171.2 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | C25 N26 S48 R53 | C25-C51 HydrophobicContact CB-CB 3.6Å; C25-C51 WeakPolarHBondContact CB-SG 3.2Å; C25-C51 VanDerWaalsContact SG-CA 3.57Å; C25-C51 WeakPolarHBondContact SG-CB 3.39Å; C25-C51 CovalentContact SG-SG 2.03Å; C25-C51 PolarHBondContact SG-SG 2.89Å; N26-C51 PolarHBondContact N-SG 3.32Å; S48-C51 PolarHBondContact O-N 2.94Å; C51-R53 PolarHBondContact O-N 3.08Å |
| 52 | I | 90.1 | Very high | 85.6 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 20% | 0.195 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 128.1 | -173.6 | -63.8 | 163.9 | 0 | 0 | 0 | 112.2 | S27 I32 P50 F101 F103 | S27-I52 WeakPolarHBondContact CB-O 3.32Å; S27-I52 PolarHBondContact OG-O 3.29Å; I32-I52 HydrophobicContact CD1-CB 3.71Å; I32-I52 HydrophobicContact CD1-CD1 4.28Å; I32-I52 HydrophobicContact CD1-CG2 4.1Å; P50-I52 PolarHBondContact O-N 2.8Å; I52-F101 HydrophobicContact CD1-CE2 4.28Å; I52-F101 HydrophobicContact CD1-CZ 4.27Å; I52-F101 HydrophobicContact CG1-CE2 3.8Å; I52-F101 HydrophobicContact CG1-CZ 3.64Å; I52-F103 HydrophobicContact CG2-CE1 3.66Å; I52-F103 HydrophobicContact CG2-CZ 3.63Å |
| 53 | R | 89.8 | Confident | 86.5 | Confident | 114 Ų | 114 | 51.9 Ų | 51.9 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 129.7 | 167.6 | -62.7 | 169.3 | 62.5 | -158.5 | -4.2 | 109.7 | S28 D29 C51 R55 G56 T57 F103 | S28-R53 PolarHBondContact OG-NE 3.49Å; D29-R53 WeakPolarHBondContact OD1-CA 3.02Å; C51-R53 PolarHBondContact O-N 3.08Å; R53-R55 PolarHBondContact O-N 2.66Å; R53-G56 CarbonylContact O-C 3.59Å; R53-G56 PolarHBondContact O-N 2.69Å; R53-T57 WeakPolarHBondContact CA-OG1 3.44Å; R53-T57 PolarHBondContact N-OG1 2.88Å; R53-T57 PolarHBondContact O-OG1 2.88Å; R53-F103 VanDerWaalsContact O-CZ 3.23Å; R53-F103 WeakPolarHBondContact O-CZ 3.23Å |
| 54 | L | 85.7 | Confident | 87.1 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.2 | -176.5 | -72.2 | 169.8 | 0 | 0 | 0 | 113.7 | D29 A30 G56 F108 I135 H137 | D29-L54 PolarHBondContact OD1-N 3.07Å; D29-L54 PolarHBondContact OD2-N 3.26Å; A30-L54 HydrophobicContact CB-CD1 3.79Å; A30-L54 HydrophobicContact CB-CG 3.91Å; L54-G56 PolarHBondContact O-N 2.88Å; L54-F108 HydrophobicContact CB-CD2 3.94Å; L54-F108 HydrophobicContact CB-CG 4.42Å; L54-F108 HydrophobicContact CD2-CD1 4.31Å; L54-F108 HydrophobicContact CD2-CD2 3.8Å; L54-F108 HydrophobicContact CD2-CE1 4.34Å; L54-F108 HydrophobicContact CD2-CE2 3.83Å; L54-F108 HydrophobicContact CD2-CG 4.05Å; L54-F108 HydrophobicContact CD2-CZ 4.11Å; L54-F108 HydrophobicContact CG-CD2 4.41Å; L54-F108 WeakPolarHBondContact O-CD2 3.04Å; L54-I135 HydrophobicContact CD1-CG2 3.89Å; L54-H137 HydrophobicContact CD1-CB 3.53Å; L54-H137 VanDerWaalsContact CD1-CD2 3.48Å; L54-H137 WeakPolarHBondContact CD1-CD2 3.44Å; L54-H137 VanDerWaalsContact CD1-CG 3.46Å |
| 55 | R | 85.4 | Confident | 87.2 | Confident | 107 Ų | 107 | 53.1 Ų | 53.1 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.3 | 164.4 | -78.3 | -170 | 175.2 | -158.2 | 1.3 | 113.2 | D29 R53 V141 N142 | D29-R55 PolarHBondContact OD2-N 3.02Å; R53-R55 PolarHBondContact O-N 2.66Å; R55-V141 VanDerWaalsContact CZ-CG1 3.49Å; R55-V141 VanDerWaalsContact NH2-CG1 3.35Å; R55-V141 PolarHBondContact NH2-O 3.44Å; R55-N142 PolarHBondContact NH2-O 3.3Å |
| 56 | G | 86.7 | Confident | 86.8 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.5 | 144.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | R53 L54 F103 | R53-G56 CarbonylContact O-C 3.59Å; R53-G56 PolarHBondContact O-N 2.69Å; L54-G56 PolarHBondContact O-N 2.88Å; G56-F103 CarbonylContact C-O 3.43Å; G56-F103 WeakPolarHBondContact CA-O 3.48Å |
| 57 | T | 89.1 | Confident | 85.8 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 139.1 | -177.1 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | P50 R53 F101 S102 F103 | P50-T57 HydrophobicContact CG-CG2 4.18Å; R53-T57 WeakPolarHBondContact CA-OG1 3.44Å; R53-T57 PolarHBondContact N-OG1 2.88Å; R53-T57 PolarHBondContact O-OG1 2.88Å; T57-F101 HydrophobicContact CG2-CE2 3.73Å; T57-F101 HydrophobicContact CG2-CZ 3.62Å; T57-S102 WeakPolarHBondContact O-CA 3.44Å; T57-F103 PolarHBondContact N-O 2.88Å; T57-F103 PolarHBondContact O-N 3.46Å |
| 58 | N | 90.6 | Very high | 84.5 | Confident | 109 Ų | 109 | 56 Ų | 56 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.3 | 162.9 | -62 | -22.6 | 0 | 0 | 0 | 107.9 | P50 F101 S102 | P50-N58 WeakPolarHBondContact CD-O 3.01Å; N58-F101 WeakPolarHBondContact CA-O 3.28Å; N58-S102 VanDerWaalsContact OD1-CB 3.28Å; N58-S102 WeakPolarHBondContact OD1-CB 3.41Å; N58-S102 PolarHBondContact OD1-OG 2.83Å |
| 59 | G | 91 | Very high | 82.6 | Confident | 12 Ų | 12 | 59 Ų | 59 | 12% | 0.124 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -161.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E49 P100 F101 | E49-G59 CarbonylContact O-C 3.3Å; E49-G59 WeakPolarHBondContact O-CA 3.08Å; G59-P100 WeakPolarHBondContact O-CA 3.35Å; G59-F101 VanDerWaalsContact C-CD1 3.41Å; G59-F101 VanDerWaalsContact C-CE1 3.43Å; G59-F101 PolarHBondContact N-O 2.81Å; G59-F101 VanDerWaalsContact O-CD1 3.31Å; G59-F101 WeakPolarHBondContact O-CD1 3Å; G59-F101 PolarHBondContact O-N 3.24Å |
| 60 | F | 87.8 | Confident | 80.9 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 46% | 0.456 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.3 | 175.3 | -58.2 | -86.3 | 0 | 0 | 0 | 110.8 | S48 E49 I99 P100 | S48-F60 CarbonylContact C-O 3.49Å; S48-F60 WeakPolarHBondContact CA-O 3.47Å; E49-F60 PolarHBondContact N-O 3.11Å; E49-F60 PolarHBondContact O-N 2.91Å; F60-I99 CarbonylContact C-O 3.59Å; F60-I99 WeakPolarHBondContact CA-O 3.22Å; F60-P100 HydrophobicContact CD1-CB 4.04Å; F60-P100 HydrophobicContact CE1-CB 3.92Å |
| 61 | V | 88.4 | Confident | 78.3 | Confident | 32 Ų | 32 | 57 Ų | 57 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.8 | 163.8 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | I46 S47 V63 I99 F101 | I46-V61 HydrophobicContact CG2-CG1 3.6Å; S47-V61 CarbonylContact O-C 3.4Å; S47-V61 VanDerWaalsContact O-CA 3.32Å; S47-V61 WeakPolarHBondContact O-CA 3.3Å; S47-V61 WeakPolarHBondContact O-CG1 3.39Å; V61-V63 HydrophobicContact CG1-CG2 3.87Å; V61-I99 PolarHBondContact N-O 3.11Å; V61-I99 PolarHBondContact O-N 2.8Å; V61-F101 HydrophobicContact CG2-CD1 3.59Å; V61-F101 HydrophobicContact CG2-CE1 3.91Å; V61-F101 HydrophobicContact CG2-CG 4.21Å |
| 62 | H | 85.4 | Confident | 76.1 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 26% | 0.255 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.9 | 171.8 | -51.3 | -76.1 | 0 | 0 | 0 | 108.3 | I46 S47 T97 S98 | I46-H62 WeakPolarHBondContact CA-O 3.35Å; S47-H62 PolarHBondContact N-O 3.1Å; S47-H62 PolarHBondContact O-N 2.82Å; H62-T97 WeakPolarHBondContact CA-O 3.43Å; H62-S98 PolarHBondContact CE1-OG 2.66Å; H62-S98 PolarHBondContact ND1-OG 2.81Å |
| 63 | V | 84.1 | Confident | 74.2 | Confident | 17 Ų | 17 | 70.2 Ų | 70.2 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.7 | -179.6 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | I44 S45 I46 V61 F65 N96 T97 I99 | I44-V63 HydrophobicContact CD1-CG1 4.34Å; S45-V63 WeakPolarHBondContact O-CA 3.46Å; I46-V63 HydrophobicContact CG1-CG1 4.39Å; V61-V63 HydrophobicContact CG1-CG2 3.87Å; V63-F65 HydrophobicContact CG1-CD1 3.72Å; V63-F65 HydrophobicContact CG1-CE1 3.97Å; V63-N96 WeakPolarHBondContact O-CA 3.43Å; V63-T97 PolarHBondContact N-O 2.82Å; V63-T97 PolarHBondContact O-N 2.88Å; V63-T97 VanDerWaalsContact O-N 3.1Å; V63-I99 HydrophobicContact CG2-CD1 3.9Å |
| 64 | E | 82 | Confident | 72.9 | Confident | 92 Ų | 92 | 73.3 Ų | 73.3 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 115.7 | 175.3 | -176.8 | 169.4 | -123.9 | 0 | 0 | 110.2 | I44 S45 V95 N96 | I44-E64 WeakPolarHBondContact CA-O 3.3Å; S45-E64 PolarHBondContact N-O 3.22Å; S45-E64 PolarHBondContact O-N 3.1Å; E64-V95 CarbonylContact C-O 3.59Å; E64-V95 VanDerWaalsContact CA-O 3.26Å; E64-V95 WeakPolarHBondContact CA-O 3.37Å; E64-N96 HydrophobicContact CG-CB 4.38Å; E64-N96 PolarHBondContact OE1-ND2 3.05Å |
| 65 | F | 79.2 | Confident | 71.9 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 168.6 | -179.6 | 75 | -66 | 0 | 0 | 0 | 112.3 | I44 V63 P67 V95 F129 | I44-F65 HydrophobicContact CB-CB 3.85Å; I44-F65 HydrophobicContact CD1-CB 4.01Å; I44-F65 HydrophobicContact CD1-CG 4.2Å; I44-F65 HydrophobicContact CG1-CB 3.87Å; V63-F65 HydrophobicContact CG1-CD1 3.72Å; V63-F65 HydrophobicContact CG1-CE1 3.97Å; F65-P67 HydrophobicContact CD2-CB 4.35Å; F65-P67 HydrophobicContact CE2-CB 3.74Å; F65-P67 HydrophobicContact CZ-CB 4.34Å; F65-V95 HydrophobicContact CD1-CB 3.88Å; F65-V95 HydrophobicContact CD1-CG1 4.06Å; F65-V95 HydrophobicContact CE1-CB 3.72Å; F65-V95 HydrophobicContact CE1-CG1 3.61Å; F65-V95 HydrophobicContact CE1-CG2 4.25Å; F65-V95 HydrophobicContact CZ-CB 4.4Å; F65-V95 HydrophobicContact CZ-CG1 4.47Å; F65-V95 HydrophobicContact CZ-CG2 4.47Å; F65-V95 PolarHBondContact N-O 3.23Å; F65-V95 PolarHBondContact O-N 2.9Å; F65-F129 HydrophobicContact CD2-CE1 4.38Å; F65-F129 HydrophobicContact CE2-CE1 4.34Å |
| 66 | I | 71.5 | Confident | 71.3 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | trans | -108.9 | 120.4 | 170 | -58.6 | 174.8 | 0 | 0 | 0 | 107.7 | ||||
| 67 | P | 63 | Low | 70.8 | Confident | 16 Ų | 16 | 75.4 Ų | 75.4 | 10% | 0.104 | 37% | 0.369 | C | S | . | . | trans | -83 | 154.1 | -172.7 | 33.8 | -33.2 | 0 | 0 | 0 | 112.6 | F65 A89 E93 V95 | F65-P67 HydrophobicContact CD2-CB 4.35Å; F65-P67 HydrophobicContact CE2-CB 3.74Å; F65-P67 HydrophobicContact CZ-CB 4.34Å; P67-A89 HydrophobicContact CG-CB 4.39Å; P67-E93 WeakPolarHBondContact CD-O 3.31Å; P67-V95 HydrophobicContact CG-CG2 4.05Å | ||
| 68 | K | 62.6 | Low | 70.2 | Confident | 63 Ų | 63 | 80.6 Ų | 80.6 | 27% | 0.274 | 39% | 0.393 | S | S | . | . | trans | -113.6 | 167.2 | 148.6 | -31.3 | 170.7 | -175.8 | 169 | 0 | 107.5 | F42 E126 L128 | F42-K68 VanDerWaalsContact CZ-NZ 3.32Å; K68-E126 IonicContact NZ-OE2 2.72Å; K68-L128 HydrophobicContact CB-CD2 3.51Å; K68-L128 HydrophobicContact CD-CD2 4.3Å; K68-L128 HydrophobicContact CG-CD2 4.13Å; K68-L128 WeakPolarHBondContact O-CD2 3.33Å | ||
| 69 | L | 48.9 | Very low | 69.2 | Low | 77 Ų | 77 | 77.9 Ų | 77.9 | 40% | 0.403 | 39% | 0.391 | S | S | . | . | trans | -74.6 | 157.8 | -160.4 | -58.3 | 171.2 | 0 | 0 | 0 | 113.3 | K91 A121 | L69-K91 HydrophobicContact CD2-CB 4.32Å; L69-K91 HydrophobicContact CG-CB 4.35Å; L69-A121 WeakPolarHBondContact O-CA 3.39Å; L69-A121 WeakPolarHBondContact O-CB 3.48Å | ||
| 70 | P | 54.7 | Low | 68.2 | Low | 70 Ų | 70 | 84.4 Ų | 84.4 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | trans | -131.9 | 163.5 | -158.5 | 41.3 | -26.2 | 0 | 0 | 0 | 117 | ||||
| 71 | K | 36.2 | Very low | 67.6 | Low | 95 Ų | 95 | 85.5 Ų | 85.5 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | trans | 143.1 | 126.2 | 150.2 | -87.3 | 162.4 | 174.3 | 178.9 | 0 | 111.2 | C77 H78 G122 | K71-C77 WeakPolarHBondContact CE-O 2.98Å; K71-H78 WeakPolarHBondContact CE-O 3.18Å; K71-H78 PolarHBondContact NZ-O 2.85Å; K71-G122 WeakPolarHBondContact O-CA 3.35Å | ||
| 72 | R | 46.1 | Very low | 67.2 | Low | 141 Ų | 141 | 85.3 Ų | 85.3 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | cis | -132.9 | -150.8 | 0 | -81.8 | 169.8 | 162.2 | 175.4 | -8.3 | 106.1 | V75 | R72-V75 HydrophobicContact CB-CG2 4.32Å; R72-V75 HydrophobicContact CG-CG1 4.37Å; R72-V75 HydrophobicContact CG-CG2 3.83Å; R72-V75 VanDerWaalsContact NE-CG1 3.33Å | ||
| 73 | K | 51 | Low | 67.1 | Low | 199 Ų | 199 | 90.3 Ų | 90.3 | 87% | 0.865 | 46% | 0.455 | S | S | * | . | S | Bend | cis | -147.5 | 132.6 | 0.8 | 175.4 | -170 | 172.2 | -171.2 | 0 | 106.1 | ||
| 74 | E | 60.7 | Low | 66.9 | Low | 179 Ų | 179 | 93.2 Ų | 93.2 | 84% | 0.836 | 46% | 0.464 | S | S | * | . | S | Bend | cis | -54.6 | 175 | 4.8 | -75.7 | 168.8 | 123 | 0 | 0 | 116.9 | ||
| 75 | V | 65.4 | Low | 66.9 | Low | 49 Ų | 49 | 93 Ų | 93 | 30% | 0.297 | 47% | 0.474 | S | S | . | . | trans | -116.9 | 101.2 | -171.5 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | R72 C77 | R72-V75 HydrophobicContact CB-CG2 4.32Å; R72-V75 HydrophobicContact CG-CG1 4.37Å; R72-V75 HydrophobicContact CG-CG2 3.83Å; R72-V75 VanDerWaalsContact NE-CG1 3.33Å; V75-C77 WeakPolarHBondContact CG1-O 3.32Å | ||
| 76 | L | 73.1 | Confident | 67 | Low | 102 Ų | 102 | 92.9 Ų | 92.9 | 53% | 0.534 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -87.5 | -24.2 | 168.4 | -61.2 | 178.6 | 0 | 0 | 0 | 112.2 | Y84 F86 C87 | L76-Y84 HydrophobicContact CB-CD2 4.42Å; L76-Y84 HydrophobicContact CD2-CE2 4.03Å; L76-F86 HydrophobicContact CB-CE2 4.22Å; L76-F86 HydrophobicContact CB-CZ 4.24Å; L76-F86 HydrophobicContact CD1-CE2 4.44Å; L76-F86 HydrophobicContact CD1-CZ 4.13Å; L76-C87 PolarHBondContact O-SG 2.96Å |
| 77 | C | 76.1 | Confident | 67.2 | Low | 25 Ų | 25 | 89.8 Ų | 89.8 | 17% | 0.169 | 46% | 0.459 | C | S | . | . | trans | -131.8 | 115.4 | -179.7 | -49.8 | 0 | 0 | 0 | 0 | 110.6 | K71 V75 C87 | K71-C77 WeakPolarHBondContact CE-O 2.98Å; V75-C77 WeakPolarHBondContact CG1-O 3.32Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.48Å; C77-C87 WeakPolarHBondContact SG-CA 3.33Å; C77-C87 WeakPolarHBondContact SG-CB 3.34Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 2.82Å | ||
| 78 | H | 76.4 | Confident | 68.1 | Low | 119 Ų | 119 | 98.1 Ų | 98.1 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | trans | -81.6 | -34.3 | 173.1 | -65.1 | -121.7 | 0 | 0 | 0 | 110.4 | K71 D82 | K71-H78 WeakPolarHBondContact CE-O 3.18Å; K71-H78 PolarHBondContact NZ-O 2.85Å; H78-D82 WeakPolarHBondContact CA-OD1 3.45Å; H78-D82 VanDerWaalsContact CB-OD1 3.3Å; H78-D82 WeakPolarHBondContact CB-OD1 2.96Å; H78-D82 IonicContact CD2-OD1 2.71Å; H78-D82 IonicContact CG-OD1 2.69Å; H78-D82 PolarHBondContact N-OD1 2.94Å | ||
| 79 | G | 70.3 | Confident | 68.9 | Low | 53 Ų | 53 | 96.3 Ų | 96.3 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 103.9 | 9.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D82 | G79-D82 WeakPolarHBondContact CA-OD2 3.5Å; G79-D82 PolarHBondContact N-OD1 3.43Å; G79-D82 PolarHBondContact N-OD2 3.24Å |
| 80 | H | 70.3 | Confident | 70.2 | Confident | 148 Ų | 148 | 97.8 Ų | 97.8 | 69% | 0.685 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -155.2 | 129.2 | 168.4 | 179.7 | 16.1 | 0 | 0 | 0 | 106.6 | D82 | H80-D82 VanDerWaalsContact C-N 3.29Å; H80-D82 PolarHBondContact O-N 3.29Å |
| 81 | D | 73.9 | Confident | 70.9 | Confident | 128 Ų | 128 | 101.8 Ų | 101.8 | 68% | 0.684 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 51 | 45.7 | 178 | -62.5 | 4.5 | 0 | 0 | 0 | 113.8 | ||
| 82 | D | 81 | Confident | 72.7 | Confident | 28 Ų | 28 | 99.7 Ų | 99.7 | 15% | 0.15 | 51% | 0.509 | C | S | . | . | trans | -71.7 | 137.9 | 176 | -66.9 | -45.1 | 0 | 0 | 0 | 112.5 | H78 G79 H80 Y84 C87 | H78-D82 WeakPolarHBondContact CA-OD1 3.45Å; H78-D82 VanDerWaalsContact CB-OD1 3.3Å; H78-D82 WeakPolarHBondContact CB-OD1 2.96Å; H78-D82 IonicContact CD2-OD1 2.71Å; H78-D82 IonicContact CG-OD1 2.69Å; H78-D82 PolarHBondContact N-OD1 2.94Å; G79-D82 WeakPolarHBondContact CA-OD2 3.5Å; G79-D82 PolarHBondContact N-OD1 3.43Å; G79-D82 PolarHBondContact N-OD2 3.24Å; H80-D82 VanDerWaalsContact C-N 3.29Å; H80-D82 PolarHBondContact O-N 3.29Å; D82-Y84 PolarHBondContact O-N 2.93Å; D82-C87 HydrophobicContact CB-CB 3.7Å | ||
| 83 | D | 82.7 | Confident | 74.2 | Confident | 159 Ų | 159 | 97.4 Ų | 97.4 | 85% | 0.85 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -61 | -25.8 | -179.9 | -65.3 | -54.8 | 0 | 0 | 0 | 113.9 | ||
| 84 | Y | 80.6 | Confident | 75.6 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 31% | 0.306 | 49% | 0.493 | S | S | . | . | trans | -105.9 | 127.3 | -173.3 | -60.8 | -64.8 | 0 | 0 | 0 | 113.1 | L76 D82 F86 C87 I99 | L76-Y84 HydrophobicContact CB-CD2 4.42Å; L76-Y84 HydrophobicContact CD2-CE2 4.03Å; D82-Y84 PolarHBondContact O-N 2.93Å; Y84-F86 AromaticContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CZ 4.31Å; Y84-F86 HydrophobicContact CD2-CE1 4.17Å; Y84-F86 AromaticContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CG-CD1 4.36Å; Y84-F86 AromaticContact CG-CE1 3.54Å; Y84-F86 HydrophobicContact CG-CE1 3.54Å; Y84-F86 AromaticContact CG-CZ 3.62Å; Y84-F86 HydrophobicContact CG-CZ 3.62Å; Y84-F86 PolarHBondContact O-N 2.85Å; Y84-C87 VanDerWaalsContact O-CB 3.3Å; Y84-C87 WeakPolarHBondContact O-CB 3.26Å; Y84-C87 PolarHBondContact O-N 3.04Å; Y84-I99 HydrophobicContact CE1-CG2 3.81Å | ||
| 85 | S | 81.6 | Confident | 76.7 | Confident | 89 Ų | 89 | 84.6 Ų | 84.6 | 62% | 0.622 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -56.1 | -34.5 | 178.6 | 55 | 0 | 0 | 0 | 0 | 113.9 | C87 R88 | S85-C87 PolarHBondContact O-N 2.98Å; S85-R88 PolarHBondContact O-N 2.92Å |
| 86 | F | 80.1 | Confident | 77.7 | Confident | 37 Ų | 37 | 87.4 Ų | 87.4 | 16% | 0.162 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -65.1 | -17.7 | 179.2 | 64.3 | -107.4 | 0 | 0 | 0 | 113.8 | L76 Y84 R88 A89 V95 T97 I99 | L76-F86 HydrophobicContact CB-CE2 4.22Å; L76-F86 HydrophobicContact CB-CZ 4.24Å; L76-F86 HydrophobicContact CD1-CE2 4.44Å; L76-F86 HydrophobicContact CD1-CZ 4.13Å; Y84-F86 AromaticContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CZ 4.31Å; Y84-F86 HydrophobicContact CD2-CE1 4.17Å; Y84-F86 AromaticContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CG-CD1 4.36Å; Y84-F86 AromaticContact CG-CE1 3.54Å; Y84-F86 HydrophobicContact CG-CE1 3.54Å; Y84-F86 AromaticContact CG-CZ 3.62Å; Y84-F86 HydrophobicContact CG-CZ 3.62Å; Y84-F86 PolarHBondContact O-N 2.85Å; F86-R88 PolarHBondContact O-N 3.12Å; F86-R88 VanDerWaalsContact O-N 3.1Å; F86-A89 WeakPolarHBondContact O-CB 3.38Å; F86-A89 PolarHBondContact O-N 3.09Å; F86-A89 VanDerWaalsContact O-N 3.11Å; F86-V95 HydrophobicContact CB-CG1 3.72Å; F86-T97 HydrophobicContact CD1-CG2 3.98Å; F86-I99 HydrophobicContact CD1-CD1 4.38Å; F86-I99 HydrophobicContact CE1-CD1 3.63Å; F86-I99 HydrophobicContact CE1-CG1 4.08Å; F86-I99 HydrophobicContact CZ-CD1 4.33Å |
| 87 | C | 77.6 | Confident | 78.2 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 21% | 0.209 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -65.3 | -10.3 | 175 | -65.4 | 0 | 0 | 0 | 0 | 113.8 | L76 C77 D82 Y84 S85 | L76-C87 PolarHBondContact O-SG 2.96Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.48Å; C77-C87 WeakPolarHBondContact SG-CA 3.33Å; C77-C87 WeakPolarHBondContact SG-CB 3.34Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 2.82Å; D82-C87 HydrophobicContact CB-CB 3.7Å; Y84-C87 VanDerWaalsContact O-CB 3.3Å; Y84-C87 WeakPolarHBondContact O-CB 3.26Å; Y84-C87 PolarHBondContact O-N 3.04Å; S85-C87 PolarHBondContact O-N 2.98Å |
| 88 | R | 80.1 | Confident | 78.7 | Confident | 190 Ų | 190 | 85.4 Ų | 85.4 | 72% | 0.717 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -100.4 | -4.8 | 176.3 | -55.3 | -176.7 | -172.6 | -173.3 | 0.4 | 113.7 | S85 F86 | S85-R88 PolarHBondContact O-N 2.92Å; F86-R88 PolarHBondContact O-N 3.12Å; F86-R88 VanDerWaalsContact O-N 3.1Å |
| 89 | A | 80.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 81.3 Ų | 81.3 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | trans | -71.5 | 137.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P67 F86 E93 V95 | P67-A89 HydrophobicContact CG-CB 4.39Å; F86-A89 WeakPolarHBondContact O-CB 3.38Å; F86-A89 PolarHBondContact O-N 3.09Å; F86-A89 VanDerWaalsContact O-N 3.11Å; A89-E93 WeakPolarHBondContact CA-OE2 3.5Å; A89-V95 HydrophobicContact CB-CG2 3.49Å; A89-V95 VanDerWaalsContact CB-CG2 3.49Å | ||
| 90 | L | 76 | Confident | 79.8 | Confident | 107 Ų | 107 | 82.8 Ų | 82.8 | 56% | 0.56 | 44% | 0.444 | S | S | * | . | trans | -91.9 | 159.6 | -179.1 | -55.6 | 179.4 | 0 | 0 | 0 | 112 | G92 E93 | L90-G92 PolarHBondContact O-N 2.85Å; L90-G92 VanDerWaalsContact O-N 3.1Å; L90-E93 HydrophobicContact CB-CG 4.06Å; L90-E93 PolarHBondContact N-OE2 2.93Å; L90-E93 WeakPolarHBondContact O-CB 3.35Å; L90-E93 PolarHBondContact O-N 3.19Å | ||
| 91 | K | 70.1 | Confident | 80.7 | Confident | 154 Ų | 154 | 77.8 Ų | 77.8 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 114.9 | 178.1 | 179.5 | 179.5 | 178.1 | 174.3 | 0 | 110.6 | L69 | L69-K91 HydrophobicContact CD2-CB 4.32Å; L69-K91 HydrophobicContact CG-CB 4.35Å |
| 92 | G | 72.4 | Confident | 81.2 | Confident | 52 Ų | 52 | 75.9 Ų | 75.9 | 54% | 0.536 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -5.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L90 | L90-G92 PolarHBondContact O-N 2.85Å; L90-G92 VanDerWaalsContact O-N 3.1Å |
| 93 | E | 79.1 | Confident | 81.4 | Confident | 93 Ų | 93 | 76.9 Ų | 76.9 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | trans | -77.7 | 145.5 | 170.8 | -64.5 | -178.9 | 159.9 | 0 | 0 | 110.9 | P67 A89 L90 V95 | P67-E93 WeakPolarHBondContact CD-O 3.31Å; A89-E93 WeakPolarHBondContact CA-OE2 3.5Å; L90-E93 HydrophobicContact CB-CG 4.06Å; L90-E93 PolarHBondContact N-OE2 2.93Å; L90-E93 WeakPolarHBondContact O-CB 3.35Å; L90-E93 PolarHBondContact O-N 3.19Å; E93-V95 PolarHBondContact O-N 3.5Å | ||
| 94 | T | 80.4 | Confident | 81.5 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | trans | -77.4 | 114.1 | 173.7 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 95 | V | 83 | Confident | 80.9 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 6% | 0.061 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 113.8 | 166.3 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | E64 F65 P67 F86 A89 E93 T97 | E64-V95 CarbonylContact C-O 3.59Å; E64-V95 VanDerWaalsContact CA-O 3.26Å; E64-V95 WeakPolarHBondContact CA-O 3.37Å; F65-V95 HydrophobicContact CD1-CB 3.88Å; F65-V95 HydrophobicContact CD1-CG1 4.06Å; F65-V95 HydrophobicContact CE1-CB 3.72Å; F65-V95 HydrophobicContact CE1-CG1 3.61Å; F65-V95 HydrophobicContact CE1-CG2 4.25Å; F65-V95 HydrophobicContact CZ-CB 4.4Å; F65-V95 HydrophobicContact CZ-CG1 4.47Å; F65-V95 HydrophobicContact CZ-CG2 4.47Å; F65-V95 PolarHBondContact N-O 3.23Å; F65-V95 PolarHBondContact O-N 2.9Å; P67-V95 HydrophobicContact CG-CG2 4.05Å; F86-V95 HydrophobicContact CB-CG1 3.72Å; A89-V95 HydrophobicContact CB-CG2 3.49Å; A89-V95 VanDerWaalsContact CB-CG2 3.49Å; E93-V95 PolarHBondContact O-N 3.5Å; V95-T97 HydrophobicContact CG1-CG2 3.99Å |
| 96 | N | 86.3 | Confident | 80.6 | Confident | 107 Ų | 107 | 77.1 Ų | 77.1 | 57% | 0.572 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 114.6 | 167.2 | -178.7 | -38.1 | 0 | 0 | 0 | 107 | V63 E64 | V63-N96 WeakPolarHBondContact O-CA 3.43Å; E64-N96 HydrophobicContact CG-CB 4.38Å; E64-N96 PolarHBondContact OE1-ND2 3.05Å |
| 97 | T | 84.3 | Confident | 80.3 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 17% | 0.172 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 159.7 | -172.6 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | H62 V63 F86 V95 I99 | H62-T97 WeakPolarHBondContact CA-O 3.43Å; V63-T97 PolarHBondContact N-O 2.82Å; V63-T97 PolarHBondContact O-N 2.88Å; V63-T97 VanDerWaalsContact O-N 3.1Å; F86-T97 HydrophobicContact CD1-CG2 3.98Å; V95-T97 HydrophobicContact CG1-CG2 3.99Å; T97-I99 HydrophobicContact CG2-CG1 4.29Å |
| 98 | S | 85.5 | Confident | 80.3 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 107.5 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | H62 | H62-S98 PolarHBondContact CE1-OG 2.66Å; H62-S98 PolarHBondContact ND1-OG 2.81Å |
| 99 | I | 85.9 | Confident | 80.3 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 17% | 0.169 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115.1 | -175.7 | -55.5 | 176.4 | 0 | 0 | 0 | 108.4 | F60 V61 V63 Y84 F86 T97 | F60-I99 CarbonylContact C-O 3.59Å; F60-I99 WeakPolarHBondContact CA-O 3.22Å; V61-I99 PolarHBondContact N-O 3.11Å; V61-I99 PolarHBondContact O-N 2.8Å; V63-I99 HydrophobicContact CG2-CD1 3.9Å; Y84-I99 HydrophobicContact CE1-CG2 3.81Å; F86-I99 HydrophobicContact CD1-CD1 4.38Å; F86-I99 HydrophobicContact CE1-CD1 3.63Å; F86-I99 HydrophobicContact CE1-CG1 4.08Å; F86-I99 HydrophobicContact CZ-CD1 4.33Å; T97-I99 HydrophobicContact CG2-CG1 4.29Å |
| 100 | P | 85.1 | Confident | 80.5 | Confident | 85 Ų | 85 | 82.3 Ų | 82.3 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 138.4 | 174.9 | 28.3 | -33.7 | 0 | 0 | 0 | 110.3 | G59 F60 | G59-P100 WeakPolarHBondContact O-CA 3.35Å; F60-P100 HydrophobicContact CD1-CB 4.04Å; F60-P100 HydrophobicContact CE1-CB 3.92Å |
| 101 | F | 87.6 | Confident | 81 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 18% | 0.184 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.8 | 175.8 | 78.9 | -80.7 | 0 | 0 | 0 | 111.9 | I52 T57 N58 G59 V61 F103 | I52-F101 HydrophobicContact CD1-CE2 4.28Å; I52-F101 HydrophobicContact CD1-CZ 4.27Å; I52-F101 HydrophobicContact CG1-CE2 3.8Å; I52-F101 HydrophobicContact CG1-CZ 3.64Å; T57-F101 HydrophobicContact CG2-CE2 3.73Å; T57-F101 HydrophobicContact CG2-CZ 3.62Å; N58-F101 WeakPolarHBondContact CA-O 3.28Å; G59-F101 VanDerWaalsContact C-CD1 3.41Å; G59-F101 VanDerWaalsContact C-CE1 3.43Å; G59-F101 PolarHBondContact N-O 2.81Å; G59-F101 VanDerWaalsContact O-CD1 3.31Å; G59-F101 WeakPolarHBondContact O-CD1 3Å; G59-F101 PolarHBondContact O-N 3.24Å; V61-F101 HydrophobicContact CG2-CD1 3.59Å; V61-F101 HydrophobicContact CG2-CE1 3.91Å; V61-F101 HydrophobicContact CG2-CG 4.21Å; F101-F103 HydrophobicContact CD2-CD1 4.31Å; F101-F103 HydrophobicContact CE2-CD1 4.36Å; F101-F103 HydrophobicContact CE2-CE1 4.22Å |
| 102 | S | 85.1 | Confident | 81.9 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 62% | 0.615 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 134.2 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | T57 N58 | T57-S102 WeakPolarHBondContact O-CA 3.44Å; N58-S102 VanDerWaalsContact OD1-CB 3.28Å; N58-S102 WeakPolarHBondContact OD1-CB 3.41Å; N58-S102 PolarHBondContact OD1-OG 2.83Å |
| 103 | F | 86.1 | Confident | 82.4 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 22% | 0.219 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 148.1 | 163.2 | 74.4 | -86.3 | 0 | 0 | 0 | 111.2 | I52 R53 G56 T57 F101 F108 | I52-F103 HydrophobicContact CG2-CE1 3.66Å; I52-F103 HydrophobicContact CG2-CZ 3.63Å; R53-F103 VanDerWaalsContact O-CZ 3.23Å; R53-F103 WeakPolarHBondContact O-CZ 3.23Å; G56-F103 CarbonylContact C-O 3.43Å; G56-F103 WeakPolarHBondContact CA-O 3.48Å; T57-F103 PolarHBondContact N-O 2.88Å; T57-F103 PolarHBondContact O-N 3.46Å; F101-F103 HydrophobicContact CD2-CD1 4.31Å; F101-F103 HydrophobicContact CE2-CD1 4.36Å; F101-F103 HydrophobicContact CE2-CE1 4.22Å; F103-F108 HydrophobicContact CE2-CE2 4.07Å |
| 104 | E | 85.1 | Confident | 82.8 | Confident | 163 Ų | 163 | 81.8 Ų | 81.8 | 76% | 0.762 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 164.9 | 176 | -173.4 | 163.8 | -159.9 | 0 | 0 | 109.5 | I106 | E104-I106 VanDerWaalsContact C-N 3.3Å; E104-I106 PolarHBondContact O-N 3.24Å |
| 105 | G | 67.4 | Low | 82.9 | Confident | 72 Ų | 72 | 80.3 Ų | 80.3 | 74% | 0.742 | 44% | 0.439 | S | S | * | . | trans | 80.8 | -9.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L107 | G105-L107 PolarHBondContact O-N 2.94Š| ||
| 106 | I | 74.1 | Confident | 82.9 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 49% | 0.492 | 46% | 0.455 | S | S | . | . | trans | -80.6 | 119.2 | 177.9 | -59.3 | 169 | 0 | 0 | 0 | 110.5 | E104 F108 | E104-I106 VanDerWaalsContact C-N 3.3Å; E104-I106 PolarHBondContact O-N 3.24Å; I106-F108 HydrophobicContact CB-CD2 4.36Å; I106-F108 HydrophobicContact CB-CE2 3.75Å; I106-F108 HydrophobicContact CB-CZ 4.16Å; I106-F108 HydrophobicContact CG2-CD1 4.47Å; I106-F108 HydrophobicContact CG2-CD2 3.95Å; I106-F108 HydrophobicContact CG2-CE1 4.04Å; I106-F108 HydrophobicContact CG2-CE2 3.47Å; I106-F108 VanDerWaalsContact CG2-CE2 3.47Å; I106-F108 HydrophobicContact CG2-CG 4.43Å; I106-F108 HydrophobicContact CG2-CZ 3.53Å; I106-F108 WeakPolarHBondContact O-CD2 3.47Å; I106-F108 PolarHBondContact O-N 2.86Å | ||
| 107 | L | 74.9 | Confident | 82.7 | Confident | 137 Ų | 137 | 79.4 Ų | 79.4 | 72% | 0.717 | 44% | 0.442 | S | S | * | . | trans | -88.2 | 85.2 | -177.9 | -170 | 77.6 | 0 | 0 | 0 | 112.3 | G105 P109 | G105-L107 PolarHBondContact O-N 2.94Å; L107-P109 WeakPolarHBondContact O-CD 3.35Å | ||
| 108 | F | 78.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 82.2 Ų | 82.2 | 25% | 0.25 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 127.5 | 173.7 | -61.7 | -86.6 | 0 | 0 | 0 | 112 | L54 F103 I106 H137 R139 | L54-F108 HydrophobicContact CB-CD2 3.94Å; L54-F108 HydrophobicContact CB-CG 4.42Å; L54-F108 HydrophobicContact CD2-CD1 4.31Å; L54-F108 HydrophobicContact CD2-CD2 3.8Å; L54-F108 HydrophobicContact CD2-CE1 4.34Å; L54-F108 HydrophobicContact CD2-CE2 3.83Å; L54-F108 HydrophobicContact CD2-CG 4.05Å; L54-F108 HydrophobicContact CD2-CZ 4.11Å; L54-F108 HydrophobicContact CG-CD2 4.41Å; L54-F108 WeakPolarHBondContact O-CD2 3.04Å; F103-F108 HydrophobicContact CE2-CE2 4.07Å; I106-F108 HydrophobicContact CB-CD2 4.36Å; I106-F108 HydrophobicContact CB-CE2 3.75Å; I106-F108 HydrophobicContact CB-CZ 4.16Å; I106-F108 HydrophobicContact CG2-CD1 4.47Å; I106-F108 HydrophobicContact CG2-CD2 3.95Å; I106-F108 HydrophobicContact CG2-CE1 4.04Å; I106-F108 HydrophobicContact CG2-CE2 3.47Å; I106-F108 VanDerWaalsContact CG2-CE2 3.47Å; I106-F108 HydrophobicContact CG2-CG 4.43Å; I106-F108 HydrophobicContact CG2-CZ 3.53Å; I106-F108 WeakPolarHBondContact O-CD2 3.47Å; I106-F108 PolarHBondContact O-N 2.86Å; F108-H137 PolarHBondContact O-CE1 2.83Å; F108-H137 PolarHBondContact O-ND1 3.02Å; F108-R139 PolarHBondContact O-NH1 2.84Å |
| 109 | P | 79.8 | Confident | 81.9 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 164.7 | 169.8 | 9.5 | -13.6 | 0 | 0 | 0 | 112.8 | L107 Y113 H137 | L107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-Y113 VanDerWaalsContact C-OH 3.29Å; P109-Y113 WeakPolarHBondContact CD-OH 3.47Å; P109-Y113 WeakPolarHBondContact CG-OH 3.12Å; P109-Y113 PolarHBondContact O-OH 2.97Å; P109-H137 PolarHBondContact O-ND1 2.82Å |
| 110 | K | 85 | Confident | 81.1 | Confident | 113 Ų | 113 | 81.4 Ų | 81.4 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -65.8 | 147.5 | 169.9 | -53.9 | -151.4 | -172.7 | -168.5 | 0 | 109.8 | R139 D140 | K110-R139 HydrophobicContact CD-CB 4.43Å; K110-R139 WeakPolarHBondContact CD-O 3.01Å; K110-R139 WeakPolarHBondContact CE-O 3.06Å; K110-R139 HydrophobicContact CG-CB 4.14Å; K110-R139 PolarHBondContact NZ-O 2.74Å; K110-D140 IonicContact NZ-OD1 2.69Å; K110-D140 PolarHBondContact NZ-OD1 2.94Å; K110-D140 IonicContact NZ-OD2 3.98Å; K110-D140 PolarHBondContact NZ-OD2 2.63Å |
| 111 | G | 84.8 | Confident | 80.2 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.2 | -166.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H137 | G111-H137 PolarHBondContact N-O 3.41Å; G111-H137 PolarHBondContact O-N 2.03Å |
| 112 | H | 89.1 | Confident | 78.8 | Confident | 123 Ų | 123 | 77.3 Ų | 77.3 | 57% | 0.569 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.9 | -177.6 | 177.7 | -65.2 | 0 | 0 | 0 | 110 | T134 | H112-T134 WeakPolarHBondContact NE2-CG2 3.37Å |
| 113 | Y | 84.4 | Confident | 77.6 | Confident | 71 Ų | 71 | 78.4 Ų | 78.4 | 28% | 0.278 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 147 | 176.5 | -55.3 | -92.9 | 0 | 0 | 0 | 110.5 | P109 I135 H137 | P109-Y113 VanDerWaalsContact C-OH 3.29Å; P109-Y113 WeakPolarHBondContact CD-OH 3.47Å; P109-Y113 WeakPolarHBondContact CG-OH 3.12Å; P109-Y113 PolarHBondContact O-OH 2.97Å; Y113-I135 PolarHBondContact N-O 3.06Å; Y113-I135 PolarHBondContact O-N 3Å; Y113-H137 HydrophobicContact CE2-CB 3.91Å |
| 114 | R | 86 | Confident | 76.4 | Confident | 169 Ų | 169 | 79.6 Ų | 79.6 | 64% | 0.638 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.3 | 170.1 | -167.4 | 175.2 | 75.4 | 105.1 | -6.4 | 108.7 | N132 F133 | R114-N132 VanDerWaalsContact CD-OD1 3.32Å; R114-N132 WeakPolarHBondContact CD-OD1 3.34Å; R114-N132 WeakPolarHBondContact CG-OD1 3.5Å; R114-N132 PolarHBondContact NH1-OD1 3.47Å; R114-N132 VanDerWaalsContact NH1-OD1 3.08Å; R114-F133 CarbonylContact C-O 3.57Å; R114-F133 WeakPolarHBondContact CA-O 3.32Å |
| 115 | C | 82.7 | Confident | 75.6 | Confident | 68 Ų | 68 | 78.8 Ų | 78.8 | 46% | 0.459 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 119 | 177.4 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | F133 | C115-F133 HydrophobicContact CB-CB 4.28Å; C115-F133 PolarHBondContact N-O 2.94Å; C115-F133 WeakPolarHBondContact O-CA 3.44Å; C115-F133 WeakPolarHBondContact O-CB 3.48Å; C115-F133 PolarHBondContact O-N 3.02Å |
| 116 | V | 83.2 | Confident | 75.6 | Confident | 63 Ų | 63 | 80 Ų | 80 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 110.2 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | E118 L131 | V116-E118 HydrophobicContact CG1-CG 3.96Å; V116-L131 WeakPolarHBondContact CA-O 3.45Å |
| 117 | A | 82.7 | Confident | 75.5 | Confident | 36 Ų | 36 | 79.2 Ų | 79.2 | 30% | 0.298 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 103.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | C130 L131 F133 | A117-C130 WeakPolarHBondContact O-CA 3.45Å; A117-L131 PolarHBondContact N-O 3.47Å; A117-L131 PolarHBondContact O-N 2.97Å; A117-F133 HydrophobicContact CB-CD2 4.19Å; A117-F133 HydrophobicContact CB-CE2 3.98Å |
| 118 | E | 77.9 | Confident | 75.4 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.9 | 170.7 | -54.4 | -156 | 132.6 | 0 | 0 | 109.7 | V116 K127 C130 | V116-E118 HydrophobicContact CG1-CG 3.96Å; E118-K127 IonicContact OE1-NZ 3.62Å; E118-K127 PolarHBondContact OE1-NZ 2.89Å; E118-K127 WeakPolarHBondContact OE2-CE 3.39Å; E118-K127 IonicContact OE2-NZ 2.68Å; E118-K127 PolarHBondContact OE2-NZ 2.78Å; E118-C130 HydrophobicContact CG-CB 4.39Å; E118-C130 PolarHBondContact OE1-SG 3.32Å; E118-C130 VanDerWaalsContact OE1-SG 3.36Å |
| 119 | A | 75.2 | Confident | 75.4 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109 | K127 L128 F129 | A119-K127 CarbonylContact O-C 3.57Å; A119-L128 HydrophobicContact CB-CB 3.91Å; A119-L128 HydrophobicContact CB-CD1 4.2Å; A119-L128 HydrophobicContact CB-CG 4.5Å; A119-L128 WeakPolarHBondContact O-CB 3.42Å; A119-L128 PolarHBondContact O-N 2.9Å; A119-F129 HydrophobicContact CB-CD1 3.92Å; A119-F129 HydrophobicContact CB-CD2 3.91Å; A119-F129 HydrophobicContact CB-CE1 3.62Å; A119-F129 HydrophobicContact CB-CE2 3.61Å; A119-F129 HydrophobicContact CB-CG 4.07Å; A119-F129 HydrophobicContact CB-CZ 3.46Å; A119-F129 VanDerWaalsContact CB-CZ 3.46Å; A119-F129 PolarHBondContact N-O 2.95Å |
| 120 | I | 68.1 | Low | 75.5 | Confident | 52 Ų | 52 | 69 Ų | 69 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.3 | -170.3 | -54.4 | -178 | 0 | 0 | 0 | 110.7 | K127 | I120-K127 HydrophobicContact CG1-CG 4.41Å |
| 121 | A | 67.7 | Low | 75.5 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | trans | -78.5 | 127 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L69 D123 T124 E125 E126 L128 | L69-A121 WeakPolarHBondContact O-CA 3.39Å; L69-A121 WeakPolarHBondContact O-CB 3.48Å; A121-D123 VanDerWaalsContact C-N 3.35Å; A121-D123 PolarHBondContact O-N 3.37Å; A121-T124 WeakPolarHBondContact CB-OG1 3.25Å; A121-E125 WeakPolarHBondContact O-CA 3.33Å; A121-E125 PolarHBondContact O-N 2.79Å; A121-E126 HydrophobicContact CB-CB 4.13Å; A121-E126 WeakPolarHBondContact CB-O 3.45Å; A121-E126 PolarHBondContact N-O 2.86Å; A121-L128 HydrophobicContact CB-CD2 3.89Å; A121-L128 HydrophobicContact CB-CG 4.41Å | ||
| 122 | G | 57.1 | Low | 75.7 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K71 | K71-G122 WeakPolarHBondContact O-CA 3.35Š|
| 123 | D | 59.1 | Low | 75.6 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 60% | 0.599 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -21.9 | 180 | 57.1 | -36 | 0 | 0 | 0 | 112.9 | A121 | A121-D123 VanDerWaalsContact C-N 3.35Å; A121-D123 PolarHBondContact O-N 3.37Å |
| 124 | T | 62.4 | Low | 75.9 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -7 | -175.9 | 60.9 | 0 | 0 | 0 | 0 | 115.2 | A121 E126 | A121-T124 WeakPolarHBondContact CB-OG1 3.25Å; T124-E126 PolarHBondContact O-N 3.44Å; T124-E126 VanDerWaalsContact O-N 3.14Å; T124-E126 WeakPolarHBondContact OG1-CB 3.1Å; T124-E126 WeakPolarHBondContact OG1-CG 3.37Å; T124-E126 PolarHBondContact OG1-N 3.41Å |
| 125 | E | 67.1 | Low | 76.1 | Confident | 145 Ų | 145 | 51 Ų | 51 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | trans | 55.7 | 17.6 | -167.7 | -63.4 | -73.4 | 168 | 0 | 0 | 113.5 | A121 | A121-E125 WeakPolarHBondContact O-CA 3.33Å; A121-E125 PolarHBondContact O-N 2.79Å | ||
| 126 | E | 67.9 | Low | 76.4 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | trans | -70.7 | 132.7 | 175.2 | -79.4 | -177.7 | -145.6 | 0 | 0 | 111.7 | K68 A121 T124 L128 | K68-E126 IonicContact NZ-OE2 2.72Å; A121-E126 HydrophobicContact CB-CB 4.13Å; A121-E126 WeakPolarHBondContact CB-O 3.45Å; A121-E126 PolarHBondContact N-O 2.86Å; T124-E126 PolarHBondContact O-N 3.44Å; T124-E126 VanDerWaalsContact O-N 3.14Å; T124-E126 WeakPolarHBondContact OG1-CB 3.1Å; T124-E126 WeakPolarHBondContact OG1-CG 3.37Å; T124-E126 PolarHBondContact OG1-N 3.41Å; E126-L128 PolarHBondContact O-N 3.34Å | ||
| 127 | K | 72.8 | Confident | 76.7 | Confident | 78 Ų | 78 | 48 Ų | 48 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 120.1 | 172.8 | -64.2 | -172.2 | 172.6 | -171.8 | 0 | 110.9 | L40 E118 A119 I120 | L40-K127 HydrophobicContact CD1-CB 3.57Å; L40-K127 HydrophobicContact CD1-CD 3.54Å; L40-K127 HydrophobicContact CD1-CG 4.13Å; L40-K127 HydrophobicContact CD2-CB 3.99Å; L40-K127 HydrophobicContact CG-CB 4.44Å; E118-K127 IonicContact OE1-NZ 3.62Å; E118-K127 PolarHBondContact OE1-NZ 2.89Å; E118-K127 WeakPolarHBondContact OE2-CE 3.39Å; E118-K127 IonicContact OE2-NZ 2.68Å; E118-K127 PolarHBondContact OE2-NZ 2.78Å; A119-K127 CarbonylContact O-C 3.57Å; I120-K127 HydrophobicContact CG1-CG 4.41Å |
| 128 | L | 71.8 | Confident | 76.7 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -44.3 | 178.1 | -59.8 | 179.4 | 0 | 0 | 0 | 111.6 | F42 K68 A119 A121 E126 | F42-L128 WeakPolarHBondContact CD2-O 3.31Å; K68-L128 HydrophobicContact CB-CD2 3.51Å; K68-L128 HydrophobicContact CD-CD2 4.3Å; K68-L128 HydrophobicContact CG-CD2 4.13Å; K68-L128 WeakPolarHBondContact O-CD2 3.33Å; A119-L128 HydrophobicContact CB-CB 3.91Å; A119-L128 HydrophobicContact CB-CD1 4.2Å; A119-L128 HydrophobicContact CB-CG 4.5Å; A119-L128 WeakPolarHBondContact O-CB 3.42Å; A119-L128 PolarHBondContact O-N 2.9Å; A121-L128 HydrophobicContact CB-CD2 3.89Å; A121-L128 HydrophobicContact CB-CG 4.41Å; E126-L128 PolarHBondContact O-N 3.34Å |
| 129 | F | 78.1 | Confident | 76.3 | Confident | 36 Ų | 36 | 50 Ų | 50 | 16% | 0.158 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 162.8 | 170.4 | 54.8 | -102.2 | 0 | 0 | 0 | 109.7 | I44 F65 A119 L131 | I44-F129 HydrophobicContact CD1-CD1 3.8Å; I44-F129 HydrophobicContact CD1-CD2 4.27Å; I44-F129 HydrophobicContact CD1-CE1 3.56Å; I44-F129 HydrophobicContact CD1-CE2 4.06Å; I44-F129 HydrophobicContact CD1-CG 4.15Å; I44-F129 HydrophobicContact CD1-CZ 3.69Å; I44-F129 HydrophobicContact CG2-CB 4.08Å; I44-F129 HydrophobicContact CG2-CG 4.24Å; F65-F129 HydrophobicContact CD2-CE1 4.38Å; F65-F129 HydrophobicContact CE2-CE1 4.34Å; A119-F129 HydrophobicContact CB-CD1 3.92Å; A119-F129 HydrophobicContact CB-CD2 3.91Å; A119-F129 HydrophobicContact CB-CE1 3.62Å; A119-F129 HydrophobicContact CB-CE2 3.61Å; A119-F129 HydrophobicContact CB-CG 4.07Å; A119-F129 HydrophobicContact CB-CZ 3.46Å; A119-F129 VanDerWaalsContact CB-CZ 3.46Å; A119-F129 PolarHBondContact N-O 2.95Å; F129-L131 HydrophobicContact CD2-CD1 4.3Å; F129-L131 HydrophobicContact CD2-CG 4.1Å; F129-L131 HydrophobicContact CE2-CD1 4.37Å |
| 130 | C | 82.3 | Confident | 75.7 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 120.6 | 173.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | C37 L40 A117 E118 | C37-C130 HydrophobicContact CB-CB 3.6Å; C37-C130 WeakPolarHBondContact CB-SG 3.47Å; C37-C130 PolarHBondContact N-O 2.72Å; C37-C130 WeakPolarHBondContact SG-CB 3.5Å; C37-C130 PolarHBondContact SG-O 2.76Å; C37-C130 VanDerWaalsContact SG-O 3.35Å; C37-C130 CovalentContact SG-SG 2.03Å; C37-C130 PolarHBondContact SG-SG 2.68Å; L40-C130 HydrophobicContact CB-CB 4.46Å; L40-C130 HydrophobicContact CD1-CB 4.32Å; A117-C130 WeakPolarHBondContact O-CA 3.45Å; E118-C130 HydrophobicContact CG-CB 4.39Å; E118-C130 PolarHBondContact OE1-SG 3.32Å; E118-C130 VanDerWaalsContact OE1-SG 3.36Å |
| 131 | L | 85.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.8 | -179.5 | -60.5 | 179.9 | 0 | 0 | 0 | 110.2 | Y34 Y36 I44 I46 V116 A117 F129 F133 | Y34-L131 HydrophobicContact CD2-CD1 4.49Å; Y34-L131 HydrophobicContact CD2-CD2 3.79Å; Y34-L131 HydrophobicContact CE2-CD1 4.47Å; Y34-L131 HydrophobicContact CE2-CD2 3.92Å; Y36-L131 HydrophobicContact CD1-CD2 3.78Å; Y36-L131 HydrophobicContact CE1-CD2 3.94Å; I44-L131 HydrophobicContact CG2-CD2 4.11Å; I46-L131 HydrophobicContact CD1-CD1 3.47Å; I46-L131 VanDerWaalsContact CD1-CD1 3.47Å; I46-L131 HydrophobicContact CG1-CD1 4.19Å; V116-L131 WeakPolarHBondContact CA-O 3.45Å; A117-L131 PolarHBondContact N-O 3.47Å; A117-L131 PolarHBondContact O-N 2.97Å; F129-L131 HydrophobicContact CD2-CD1 4.3Å; F129-L131 HydrophobicContact CD2-CG 4.1Å; F129-L131 HydrophobicContact CE2-CD1 4.37Å; L131-F133 HydrophobicContact CB-CD2 4.08Å; L131-F133 HydrophobicContact CB-CE2 3.64Å; L131-F133 HydrophobicContact CB-CZ 4.38Å; L131-F133 HydrophobicContact CD1-CE2 4.04Å; L131-F133 HydrophobicContact CD1-CZ 4.11Å; L131-F133 PolarHBondContact O-N 3.41Å |
| 132 | N | 87.6 | Confident | 74.2 | Confident | 28 Ų | 28 | 66 Ų | 66 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 86.5 | -179.5 | -178.1 | 37.2 | 0 | 0 | 0 | 108.9 | Y34 S35 R114 | Y34-N132 WeakPolarHBondContact CA-O 3.19Å; S35-N132 PolarHBondContact N-O 3.19Å; S35-N132 PolarHBondContact O-N 2.92Å; R114-N132 VanDerWaalsContact CD-OD1 3.32Å; R114-N132 WeakPolarHBondContact CD-OD1 3.34Å; R114-N132 WeakPolarHBondContact CG-OD1 3.5Å; R114-N132 PolarHBondContact NH1-OD1 3.47Å; R114-N132 VanDerWaalsContact NH1-OD1 3.08Å |
| 133 | F | 88.6 | Confident | 75 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.3 | 178.9 | -71.7 | -92.9 | 0 | 0 | 0 | 111.4 | I32 S33 Y34 I46 R114 C115 A117 L131 | I32-F133 HydrophobicContact CG2-CD1 4.37Å; S33-F133 CarbonylContact O-C 3.53Å; S33-F133 VanDerWaalsContact O-CA 3.31Å; S33-F133 WeakPolarHBondContact O-CA 2.9Å; Y34-F133 HydrophobicContact CD1-CD1 4.06Å; Y34-F133 AromaticContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CZ 4Å; Y34-F133 HydrophobicContact CE1-CE1 4.33Å; Y34-F133 HydrophobicContact CG-CD1 4.36Å; Y34-F133 HydrophobicContact CG-CE1 4.09Å; Y34-F133 HydrophobicContact CG-CZ 4.37Å; I46-F133 HydrophobicContact CD1-CZ 4.42Å; R114-F133 CarbonylContact C-O 3.57Å; R114-F133 WeakPolarHBondContact CA-O 3.32Å; C115-F133 HydrophobicContact CB-CB 4.28Å; C115-F133 PolarHBondContact N-O 2.94Å; C115-F133 WeakPolarHBondContact O-CA 3.44Å; C115-F133 WeakPolarHBondContact O-CB 3.48Å; C115-F133 PolarHBondContact O-N 3.02Å; A117-F133 HydrophobicContact CB-CD2 4.19Å; A117-F133 HydrophobicContact CB-CE2 3.98Å; L131-F133 HydrophobicContact CB-CD2 4.08Å; L131-F133 HydrophobicContact CB-CE2 3.64Å; L131-F133 HydrophobicContact CB-CZ 4.38Å; L131-F133 HydrophobicContact CD1-CE2 4.04Å; L131-F133 HydrophobicContact CD1-CZ 4.11Å; L131-F133 PolarHBondContact O-N 3.41Å |
| 134 | T | 90.3 | Very high | 75.9 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.4 | 168.9 | -67.1 | 0 | 0 | 0 | 0 | 108.9 | I32 S33 H112 I136 | I32-T134 WeakPolarHBondContact CA-O 3.37Å; S33-T134 PolarHBondContact N-O 2.77Å; S33-T134 PolarHBondContact O-N 3.33Å; H112-T134 WeakPolarHBondContact NE2-CG2 3.37Å; T134-I136 HydrophobicContact CG2-CG1 4.21Å |
| 135 | I | 89.3 | Confident | 76.6 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.179 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 113 | -178.9 | -60.1 | 167 | 0 | 0 | 0 | 108.3 | I31 I32 L54 Y113 | I31-I135 CarbonylContact O-C 3.45Å; I31-I135 WeakPolarHBondContact O-CA 3.2Å; I32-I135 HydrophobicContact CD1-CG1 4.41Å; I32-I135 HydrophobicContact CG1-CG1 4.16Å; I32-I135 HydrophobicContact CG1-CG2 4.25Å; I32-I135 HydrophobicContact CG2-CG1 4.11Å; L54-I135 HydrophobicContact CD1-CG2 3.89Å; Y113-I135 PolarHBondContact N-O 3.06Å; Y113-I135 PolarHBondContact O-N 3Å |
| 136 | I | 90.1 | Very high | 77.2 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 33% | 0.328 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 104.1 | 177.9 | -51.8 | 176.8 | 0 | 0 | 0 | 108.4 | A30 I31 T134 R138 | A30-I136 CarbonylContact C-O 3.55Å; A30-I136 WeakPolarHBondContact CA-O 3.39Å; I31-I136 HydrophobicContact CB-CB 4.29Å; I31-I136 PolarHBondContact N-O 2.72Å; I31-I136 PolarHBondContact O-N 3.18Å; T134-I136 HydrophobicContact CG2-CG1 4.21Å; I136-R138 HydrophobicContact CG2-CG 4.32Å; I136-R138 PolarHBondContact O-N 2.95Å |
| 137 | H | 89 | Confident | 77.8 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.023 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 94.2 | 172.6 | -167 | -164.4 | 0 | 0 | 0 | 109.1 | D29 L54 F108 P109 G111 Y113 | D29-H137 PolarHBondContact O-CD2 3.25Å; L54-H137 HydrophobicContact CD1-CB 3.53Å; L54-H137 VanDerWaalsContact CD1-CD2 3.48Å; L54-H137 WeakPolarHBondContact CD1-CD2 3.44Å; L54-H137 VanDerWaalsContact CD1-CG 3.46Å; F108-H137 PolarHBondContact O-CE1 2.83Å; F108-H137 PolarHBondContact O-ND1 3.02Å; P109-H137 PolarHBondContact O-ND1 2.82Å; G111-H137 PolarHBondContact N-O 3.41Å; G111-H137 PolarHBondContact O-N 2.03Å; Y113-H137 HydrophobicContact CE2-CB 3.91Å |
| 138 | R | 83.1 | Confident | 78.1 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | trans | -66.2 | -40 | -178.8 | -73.5 | 176.5 | -73.8 | 177.3 | -9.6 | 111.9 | N26 S27 D29 A30 I136 D140 | N26-R138 PolarHBondContact OD1-NH1 2.75Å; N26-R138 PolarHBondContact OD1-NH2 3.05Å; S27-R138 PolarHBondContact O-NH2 3.26Å; D29-R138 PolarHBondContact O-N 3.48Å; A30-R138 PolarHBondContact O-NH2 2.04Å; I136-R138 HydrophobicContact CG2-CG 4.32Å; I136-R138 PolarHBondContact O-N 2.95Å; R138-D140 PolarHBondContact O-N 2.86Å | ||
| 139 | R | 68.5 | Low | 78.5 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | trans | 27.1 | 76.7 | 176.4 | -159.6 | -170.8 | -173.6 | 141.2 | 5.7 | 115.1 | D29 F108 K110 | D29-R139 PolarHBondContact O-N 2.74Å; F108-R139 PolarHBondContact O-NH1 2.84Å; K110-R139 HydrophobicContact CD-CB 4.43Å; K110-R139 WeakPolarHBondContact CD-O 3.01Å; K110-R139 WeakPolarHBondContact CE-O 3.06Å; K110-R139 HydrophobicContact CG-CB 4.14Å; K110-R139 PolarHBondContact NZ-O 2.74Å | ||
| 140 | D | 63.3 | Low | 78.6 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | trans | -121.1 | 102 | 143 | -86.2 | -55.9 | 0 | 0 | 0 | 108.1 | K110 R138 | K110-D140 IonicContact NZ-OD1 2.69Å; K110-D140 PolarHBondContact NZ-OD1 2.94Å; K110-D140 IonicContact NZ-OD2 3.98Å; K110-D140 PolarHBondContact NZ-OD2 2.63Å; R138-D140 PolarHBondContact O-N 2.86Å | ||
| 141 | V | 56.4 | Low | 78.3 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | trans | -145 | 115.7 | 177.3 | -170.9 | 0 | 0 | 0 | 0 | 104.4 | R55 | R55-V141 VanDerWaalsContact CZ-CG1 3.49Å; R55-V141 VanDerWaalsContact NH2-CG1 3.35Å; R55-V141 PolarHBondContact NH2-O 3.44Å | ||
| 142 | N | 47.1 | Very low | 77.6 | Confident | 213 Ų | 213 | 70.5 Ų | 70.5 | 100% | 1.139 | 35% | 0.354 | S | S | * | . | trans | -60.7 | 0 | 174.1 | -66 | -9.7 | 0 | 0 | 0 | 112.4 | R55 | R55-N142 PolarHBondContact NH2-O 3.3Š|
Retrieved 142 of 142 residues in 228 ms
(Link to these results)