| 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 | L | 49.8 | Very low | 76.7 | Confident | 218 Ų | 218 | 155.5 Ų | 155.5 | 100% | 1.141 | 81% | 0.806 | S | S | * | * | 0 | 124.3 | 0 | -111.5 | 82.6 | 0 | 0 | 0 | 107.5 | |||||
| 2 | F | 56.9 | Low | 76.6 | Confident | 200 Ų | 200 | 156.8 Ų | 156.8 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -100.8 | 127.4 | 175.7 | -63.3 | -79.1 | 0 | 0 | 0 | 109.2 | ||||
| 3 | N | 64.7 | Low | 76.4 | Confident | 155 Ų | 155 | 152.8 Ų | 152.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -82.8 | 116.8 | 171.7 | -87.2 | -13.1 | 0 | 0 | 0 | 108.8 | ||||
| 4 | I | 74.5 | Confident | 75.9 | Confident | 156 Ų | 156 | 154.7 Ų | 154.7 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -104.4 | 115.3 | 173.6 | -67.4 | 167.9 | 0 | 0 | 0 | 107.2 | ||||
| 5 | T | 80.3 | Confident | 75.4 | Confident | 128 Ų | 128 | 154.1 Ų | 154.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -102 | 125.6 | 176.1 | -37.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | K | 80.3 | Confident | 74.8 | Confident | 161 Ų | 161 | 153.9 Ų | 153.9 | 70% | 0.7 | 79% | 0.785 | S | S | * | * | trans | -120.6 | 115.4 | 178.5 | -161.9 | 174.7 | -176.7 | 178.9 | 0 | 108.9 | F8 | K6-F8 HydrophobicContact CD-CE1 4.34Å; K6-F8 HydrophobicContact CD-CE2 4.24Å; K6-F8 HydrophobicContact CD-CZ 3.71Å; K6-F8 HydrophobicContact CG-CE2 4.19Å; K6-F8 HydrophobicContact CG-CZ 4.05Å | ||
| 7 | T | 88.2 | Confident | 74.6 | Confident | 132 Ų | 132 | 151 Ų | 151 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -100.1 | 128.7 | 179 | -46 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | F | 88.4 | Confident | 74.8 | Confident | 141 Ų | 141 | 148.4 Ų | 148.4 | 62% | 0.618 | 77% | 0.769 | S | S | * | * | trans | -104.8 | 134.8 | 173.9 | -62.5 | -85.5 | 0 | 0 | 0 | 109.3 | K6 I10 | K6-F8 HydrophobicContact CD-CE1 4.34Å; K6-F8 HydrophobicContact CD-CE2 4.24Å; K6-F8 HydrophobicContact CD-CZ 3.71Å; K6-F8 HydrophobicContact CG-CE2 4.19Å; K6-F8 HydrophobicContact CG-CZ 4.05Å; F8-I10 HydrophobicContact CB-CG1 4.31Å | ||
| 9 | N | 88.4 | Confident | 75.2 | Confident | 162 Ų | 162 | 142.6 Ų | 142.6 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | -94.9 | 109.1 | 172.3 | -153.3 | 9.6 | 0 | 0 | 0 | 107.8 | ||||
| 10 | I | 86.9 | Confident | 75.8 | Confident | 144 Ų | 144 | 140.4 Ų | 140.4 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | -107.8 | 124.5 | -176.3 | -58.3 | 172.2 | 0 | 0 | 0 | 108.1 | F8 | F8-I10 HydrophobicContact CB-CG1 4.31Š| ||
| 11 | T | 84.9 | Confident | 76.5 | Confident | 114 Ų | 114 | 133.8 Ų | 133.8 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | -114.4 | 132.6 | 173.7 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 12 | I | 75.4 | Confident | 78.6 | Confident | 171 Ų | 171 | 127 Ų | 127 | 88% | 0.877 | 67% | 0.665 | S | S | * | * | trans | -89.1 | 123.4 | 175.5 | -56.6 | 176.1 | 0 | 0 | 0 | 107.3 | ||||
| 13 | V | 74.9 | Confident | 80.4 | Confident | 104 Ų | 104 | 118 Ų | 118 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | trans | -114.9 | 143.2 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 14 | E | 68.7 | Low | 81.8 | Confident | 180 Ų | 180 | 114.2 Ų | 114.2 | 84% | 0.841 | 61% | 0.605 | S | S | * | * | trans | -63.2 | 147.3 | 175 | -164.4 | 168.6 | -165 | 0 | 0 | 110.7 | R16 | E14-R16 PolarHBondContact O-N 2.71Å; E14-R16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | D | 68 | Low | 82.6 | Confident | 145 Ų | 145 | 109.7 Ų | 109.7 | 78% | 0.775 | 60% | 0.597 | S | S | * | * | trans | -64.6 | 114.5 | -175.5 | -165.6 | 10.5 | 0 | 0 | 0 | 110.1 | S17 | D15-S17 PolarHBondContact O-N 2.95Š| ||
| 16 | R | 66.8 | Low | 83.2 | Confident | 151 Ų | 151 | 107.2 Ų | 107.2 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | trans | -71.6 | 99.3 | 177 | -66.9 | -179.3 | -179 | -176.4 | -5.5 | 106.8 | E14 N18 E50 | E14-R16 PolarHBondContact O-N 2.71Å; E14-R16 VanDerWaalsContact O-N 3.1Å; R16-N18 PolarHBondContact O-N 3.1Å; R16-N18 PolarHBondContact O-OD1 3.48Å; R16-E50 IonicContact CZ-OE1 2.85Å; R16-E50 IonicContact NH1-OE1 2.65Å; R16-E50 PolarHBondContact NH1-OE1 2.89Å | ||
| 17 | S | 70.9 | Confident | 83.9 | Confident | 105 Ų | 105 | 104.7 Ų | 104.7 | 73% | 0.734 | 57% | 0.573 | S | S | * | * | trans | -67.2 | 75.1 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | D15 I19 | D15-S17 PolarHBondContact O-N 2.95Å; S17-I19 PolarHBondContact O-N 2.97Å | ||
| 18 | N | 77.6 | Confident | 84.1 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 56% | 0.556 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.4 | -179.5 | -70.2 | -13.3 | 0 | 0 | 0 | 109 | R16 N48 | R16-N18 PolarHBondContact O-N 3.1Å; R16-N18 PolarHBondContact O-OD1 3.48Å; N18-N48 WeakPolarHBondContact CA-OD1 3.38Å |
| 19 | I | 83.2 | Confident | 84.4 | Confident | 39 Ų | 39 | 97.2 Ų | 97.2 | 20% | 0.2 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 154.7 | 174.6 | 59.4 | 162.4 | 0 | 0 | 0 | 110.2 | S17 L46 N48 K81 | S17-I19 PolarHBondContact O-N 2.97Å; I19-L46 HydrophobicContact CD1-CB 4.49Å; I19-L46 HydrophobicContact CD1-CD2 4.01Å; I19-L46 HydrophobicContact CD1-CG 3.8Å; I19-N48 VanDerWaalsContact CG1-OD1 3.31Å; I19-N48 WeakPolarHBondContact CG1-OD1 3.31Å; I19-N48 PolarHBondContact N-OD1 3.33Å; I19-N48 PolarHBondContact O-ND2 3.44Å; I19-K81 HydrophobicContact CD1-CD 4.27Å; I19-K81 HydrophobicContact CG2-CD 4.46Å |
| 20 | V | 86.9 | Confident | 84.7 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 125.9 | 163.2 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | ||
| 21 | P | 90.9 | Very high | 85 | Confident | 2 Ų | 2 | 90.1 Ų | 90.1 | 1% | 0.013 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 144.1 | -176.8 | 31.9 | -39.9 | 0 | 0 | 0 | 110.9 | L46 L47 V106 | P21-L46 VanDerWaalsContact CA-O 3.31Å; P21-L46 WeakPolarHBondContact CA-O 3.23Å; P21-L47 HydrophobicContact CB-CB 4.14Å; P21-V106 HydrophobicContact CB-CB 4.41Å; P21-V106 HydrophobicContact CB-CG1 3.83Å; P21-V106 HydrophobicContact CB-CG2 3.67Å; P21-V106 HydrophobicContact CG-CG1 4.2Å; P21-V106 HydrophobicContact CG-CG2 4.33Å |
| 22 | V | 93.3 | Very high | 85.4 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 131.3 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | A45 L46 | V22-A45 WeakPolarHBondContact O-CA 3.44Å; V22-L46 PolarHBondContact N-O 3.11Å; V22-L46 PolarHBondContact O-N 2.81Å |
| 23 | L | 95.2 | Very high | 86.1 | Confident | 10 Ų | 10 | 79.9 Ų | 79.9 | 5% | 0.052 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.8 | 170.3 | -65.6 | 179 | 0 | 0 | 0 | 110.8 | A45 C104 V106 D113 K115 | L23-A45 HydrophobicContact CD2-CB 3.65Å; L23-C104 VanDerWaalsContact CD1-O 3.27Å; L23-C104 WeakPolarHBondContact CD1-O 3.35Å; L23-V106 HydrophobicContact CD2-CB 3.97Å; L23-V106 HydrophobicContact CD2-CG1 3.8Å; L23-V106 HydrophobicContact CG-CG1 3.85Å; L23-D113 WeakPolarHBondContact CB-OD2 3.26Å; L23-D113 VanDerWaalsContact CD1-O 3.25Å; L23-D113 WeakPolarHBondContact CD1-O 3.38Å; L23-D113 HydrophobicContact CG-CB 4.3Å; L23-D113 PolarHBondContact N-OD2 3.36Å; L23-D113 VanDerWaalsContact N-OD2 3.14Å; L23-K115 HydrophobicContact CB-CB 4.31Å; L23-K115 HydrophobicContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-N 3.33Å; L23-K115 HydrophobicContact CG-CB 4.48Å |
| 24 | L | 93.3 | Very high | 86.9 | Confident | 76 Ų | 76 | 77 Ų | 77 | 40% | 0.398 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -81.2 | 137.8 | -179.4 | -58 | 179.7 | 0 | 0 | 0 | 111.1 | S44 H83 K115 | L24-S44 PolarHBondContact N-O 2.9Å; L24-H83 WeakPolarHBondContact CD1-NE2 3.31Å; L24-K115 PolarHBondContact O-NZ 2.79Å |
| 25 | G | 92.2 | Very high | 88 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 63% | 0.629 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 92.5 | -169.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 26 | P | 93.8 | Very high | 89 | Confident | 76 Ų | 76 | 67 Ų | 67 | 49% | 0.494 | 39% | 0.388 | S | S | . | . | trans | -77.8 | 151.2 | -173.3 | 32.5 | -35.1 | 0 | 0 | 0 | 111.3 | L28 N29 K115 | P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 2.9Å; P26-N29 WeakPolarHBondContact CG-OD1 3.07Å; P26-N29 PolarHBondContact O-ND2 2.71Å; P26-K115 WeakPolarHBondContact O-CE 3.45Å; P26-K115 WeakPolarHBondContact O-CG 3.46Å | ||
| 27 | K | 93.3 | Very high | 90.2 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -60.8 | -31.7 | -179.3 | -73.6 | -60.6 | -166.9 | -179.5 | 0 | 114.7 | D113 T114 K115 S116 | K27-D113 IonicContact NZ-OD1 3.98Å; K27-D113 PolarHBondContact NZ-OD1 3.06Å; K27-D113 IonicContact NZ-OD2 3.91Å; K27-D113 PolarHBondContact NZ-OD2 2.88Å; K27-T114 WeakPolarHBondContact CD-O 3.49Å; K27-T114 PolarHBondContact NZ-O 3.4Å; K27-K115 WeakPolarHBondContact O-CA 3.42Å; K27-S116 PolarHBondContact O-N 3.02Å |
| 28 | L | 94.2 | Very high | 91.3 | Very high | 82 Ų | 82 | 65.1 Ų | 65.1 | 43% | 0.429 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.9 | 179.1 | -175.4 | 64.6 | 0 | 0 | 0 | 109.5 | P26 L101 S116 I118 | P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 2.9Å; L28-L101 HydrophobicContact CD1-CD2 4.46Å; L28-S116 CarbonylContact C-O 3.55Å; L28-S116 WeakPolarHBondContact CA-O 3.33Å; L28-I118 HydrophobicContact CD1-CD1 3.79Å; L28-I118 HydrophobicContact CD1-CG1 4.01Å |
| 29 | N | 94.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.9 | -179.4 | -63.2 | -95.6 | 0 | 0 | 0 | 109.8 | P26 K115 S116 F117 I118 | P26-N29 WeakPolarHBondContact CG-OD1 3.07Å; P26-N29 PolarHBondContact O-ND2 2.71Å; N29-K115 WeakPolarHBondContact ND2-CE 3.45Å; N29-S116 PolarHBondContact N-O 2.8Å; N29-F117 HydrophobicContact CB-CD1 3.6Å; N29-F117 HydrophobicContact CB-CE1 3.9Å; N29-F117 HydrophobicContact CB-CG 4.28Å; N29-F117 CarbonylContact O-C 3.57Å; N29-F117 WeakPolarHBondContact O-CA 3.34Å; N29-I118 PolarHBondContact O-N 3.35Å |
| 30 | H | 93.6 | Very high | 92.7 | Very high | 121 Ų | 121 | 66.9 Ų | 66.9 | 56% | 0.56 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.7 | 170.6 | -66 | -100.4 | 0 | 0 | 0 | 108.6 | I118 V120 | H30-I118 WeakPolarHBondContact CA-O 3.49Å; H30-V120 HydrophobicContact CB-CG2 4.45Å |
| 31 | V | 93 | Very high | 93.1 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 113.5 | -177.6 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | V33 V39 L41 F117 I118 L119 V120 | V31-V33 HydrophobicContact CG1-CG1 4.11Å; V31-V33 PolarHBondContact O-N 2.79Å; V31-V39 HydrophobicContact CG1-CG2 4.1Å; V31-L41 HydrophobicContact CB-CD2 4.32Å; V31-L41 HydrophobicContact CG1-CD2 4.25Å; V31-L41 HydrophobicContact CG2-CD2 3.9Å; V31-F117 HydrophobicContact CG2-CD1 4.14Å; V31-I118 PolarHBondContact N-O 3.08Å; V31-L119 HydrophobicContact CB-CD2 4.02Å; V31-L119 HydrophobicContact CG1-CD2 4.37Å; V31-L119 WeakPolarHBondContact O-CA 3.41Å; V31-V120 PolarHBondContact O-N 3.12Å |
| 32 | A | 92.9 | Very high | 93.3 | Very high | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 122.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V120 K122 | A32-V120 CarbonylContact C-O 3.57Å; A32-V120 WeakPolarHBondContact CA-O 3.43Å; A32-V120 HydrophobicContact CB-CG2 4.36Å; A32-K122 HydrophobicContact CB-CB 4Å; A32-K122 HydrophobicContact CB-CG 4.18Å |
| 33 | V | 92 | Very high | 93.5 | Very high | 9 Ų | 9 | 62.8 Ų | 62.8 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.2 | -176.6 | -64 | 0 | 0 | 0 | 0 | 112.2 | V31 V39 I93 L98 L119 V120 K122 | V31-V33 HydrophobicContact CG1-CG1 4.11Å; V31-V33 PolarHBondContact O-N 2.79Å; V33-V39 HydrophobicContact CG1-CB 3.97Å; V33-V39 HydrophobicContact CG1-CG1 4.27Å; V33-V39 HydrophobicContact CG1-CG2 3.82Å; V33-I93 HydrophobicContact CB-CD1 3.73Å; V33-I93 HydrophobicContact CG1-CD1 3.9Å; V33-I93 HydrophobicContact CG2-CD1 4.17Å; V33-I93 HydrophobicContact CG2-CG2 4.04Å; V33-L98 HydrophobicContact CG2-CD2 3.57Å; V33-L119 HydrophobicContact CG1-CD2 3.96Å; V33-L119 HydrophobicContact CG2-CB 3.98Å; V33-V120 WeakPolarHBondContact CG2-O 3.13Å; V33-V120 PolarHBondContact N-O 3.04Å; V33-K122 WeakPolarHBondContact O-CB 3.49Å; V33-K122 PolarHBondContact O-N 2.82Å |
| 34 | E | 91 | Very high | 93.5 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | trans | -100.5 | 137.9 | 173.9 | -65.9 | 170.2 | -153.7 | 0 | 0 | 108.7 | K37 K122 M124 | E34-K37 HydrophobicContact CB-CD 4.07Å; E34-K37 HydrophobicContact CB-CG 4.3Å; E34-K37 PolarHBondContact O-N 2.94Å; E34-K37 WeakPolarHBondContact OE2-CD 3.35Å; E34-K37 WeakPolarHBondContact OE2-CE 3.32Å; E34-K37 IonicContact OE2-NZ 2.83Å; E34-K37 PolarHBondContact OE2-NZ 3.38Å; E34-K122 HydrophobicContact CG-CB 4.12Å; E34-K122 HydrophobicContact CG-CD 3.92Å; E34-K122 WeakPolarHBondContact OE1-CD 3.25Å; E34-K122 IonicContact OE1-NZ 3.55Å; E34-K122 PolarHBondContact OE1-NZ 3.1Å; E34-M124 HydrophobicContact CG-CE 4.37Å | ||
| 35 | L | 90.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 143.3 | 177.8 | -66.3 | 177.5 | 0 | 0 | 0 | 110.9 | K37 I93 E95 L98 | L35-K37 PolarHBondContact O-N 3.33Å; L35-I93 WeakPolarHBondContact CA-O 3.38Å; L35-I93 HydrophobicContact CD2-CG2 4.36Å; L35-E95 HydrophobicContact CD1-CG 4.16Å; L35-E95 HydrophobicContact CD2-CG 4.35Å; L35-L98 HydrophobicContact CD2-CD1 3.95Å; L35-L98 HydrophobicContact CD2-CG 4.41Å |
| 36 | G | 89.4 | Confident | 93.6 | Very high | 43 Ų | 43 | 59 Ų | 59 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -3.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N92 I93 | G36-N92 WeakPolarHBondContact CA-OD1 3.46Å; G36-I93 PolarHBondContact N-O 2.88Å |
| 37 | K | 92.8 | Very high | 93.5 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 50% | 0.504 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -94 | 167.2 | 172 | -68.1 | -165.9 | 177.9 | 170.4 | 0 | 111.3 | E34 L35 I93 | E34-K37 HydrophobicContact CB-CD 4.07Å; E34-K37 HydrophobicContact CB-CG 4.3Å; E34-K37 PolarHBondContact O-N 2.94Å; E34-K37 WeakPolarHBondContact OE2-CD 3.35Å; E34-K37 WeakPolarHBondContact OE2-CE 3.32Å; E34-K37 IonicContact OE2-NZ 2.83Å; E34-K37 PolarHBondContact OE2-NZ 3.38Å; L35-K37 PolarHBondContact O-N 3.33Å; K37-I93 WeakPolarHBondContact O-CB 3.44Å; K37-I93 VanDerWaalsContact O-CD1 3.25Å; K37-I93 WeakPolarHBondContact O-CD1 3.49Å; K37-I93 WeakPolarHBondContact O-CG1 3.49Å; K37-I93 PolarHBondContact O-N 3.46Å |
| 38 | N | 93.8 | Very high | 93.3 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | trans | -97.1 | 144.5 | 175.5 | -58.3 | -3.1 | 0 | 0 | 0 | 109.7 | I90 E91 N92 | N38-I90 CarbonylContact C-O 3.6Å; N38-I90 VanDerWaalsContact CA-O 3.29Å; N38-I90 WeakPolarHBondContact CA-O 3.27Å; N38-E91 WeakPolarHBondContact OD1-CA 3.33Å; N38-N92 PolarHBondContact OD1-N 2.92Å | ||
| 39 | V | 94.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 11% | 0.109 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.9 | 173.9 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | V31 V33 L41 R89 I90 I93 L119 | V31-V39 HydrophobicContact CG1-CG2 4.1Å; V33-V39 HydrophobicContact CG1-CB 3.97Å; V33-V39 HydrophobicContact CG1-CG1 4.27Å; V33-V39 HydrophobicContact CG1-CG2 3.82Å; V39-L41 HydrophobicContact CG2-CD2 4.19Å; V39-R89 WeakPolarHBondContact O-CA 2.99Å; V39-I90 HydrophobicContact CG1-CB 3.86Å; V39-I90 HydrophobicContact CG1-CD1 4.23Å; V39-I90 HydrophobicContact CG1-CG1 4.44Å; V39-I90 PolarHBondContact N-O 2.98Å; V39-I90 PolarHBondContact O-N 3.13Å; V39-I93 HydrophobicContact CB-CD1 3.67Å; V39-I93 HydrophobicContact CG1-CD1 3.49Å; V39-I93 VanDerWaalsContact CG1-CD1 3.49Å; V39-I93 HydrophobicContact CG1-CG1 4.15Å; V39-L119 HydrophobicContact CG1-CD1 4.22Å; V39-L119 HydrophobicContact CG1-CD2 4.23Å |
| 40 | R | 95.4 | Very high | 92.6 | Very high | 162 Ų | 162 | 58.2 Ų | 58.2 | 61% | 0.611 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.3 | 174.5 | -66.4 | 179 | 75.9 | -154.6 | -0.5 | 108.7 | E70 V87 L88 R89 | R40-E70 IonicContact CZ-OE1 3.88Å; R40-E70 IonicContact CZ-OE2 2.91Å; R40-E70 IonicContact NE-OE1 3.67Å; R40-E70 PolarHBondContact NE-OE1 3.34Å; R40-E70 VanDerWaalsContact NE-OE1 3.13Å; R40-E70 IonicContact NE-OE2 3.48Å; R40-E70 IonicContact NH2-OE1 2.7Å; R40-E70 PolarHBondContact NH2-OE1 2.58Å; R40-E70 IonicContact NH2-OE2 3.69Å; R40-E70 PolarHBondContact NH2-OE2 2.8Å; R40-V87 HydrophobicContact CB-CG1 3.91Å; R40-V87 HydrophobicContact CG-CG1 4.39Å; R40-L88 WeakPolarHBondContact CA-O 3.44Å; R40-R89 HydrophobicContact CG-CB 4.47Å; R40-R89 HydrophobicContact CG-CG 4.23Å |
| 41 | L | 95.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 115.4 | 175.7 | -57.4 | 178.9 | 0 | 0 | 0 | 108.3 | V31 V39 W55 V87 L88 I90 Y102 F117 L119 | V31-L41 HydrophobicContact CB-CD2 4.32Å; V31-L41 HydrophobicContact CG1-CD2 4.25Å; V31-L41 HydrophobicContact CG2-CD2 3.9Å; V39-L41 HydrophobicContact CG2-CD2 4.19Å; L41-W55 HydrophobicContact CB-CH2 3.69Å; L41-W55 HydrophobicContact CB-CZ2 4.1Å; L41-W55 HydrophobicContact CB-CZ3 4.44Å; L41-W55 HydrophobicContact CD1-CH2 4.47Å; L41-W55 HydrophobicContact CD1-CZ3 4.46Å; L41-W55 WeakPolarHBondContact O-CZ2 3.4Å; L41-V87 CarbonylContact O-C 3.57Å; L41-V87 VanDerWaalsContact O-CA 3.29Å; L41-V87 WeakPolarHBondContact O-CA 3.26Å; L41-L88 HydrophobicContact CB-CB 4.31Å; L41-L88 HydrophobicContact CD1-CD2 4.47Å; L41-L88 PolarHBondContact N-O 2.93Å; L41-L88 PolarHBondContact O-N 2.89Å; L41-I90 HydrophobicContact CD1-CD1 4.01Å; L41-Y102 HydrophobicContact CD1-CD2 4.43Å; L41-Y102 HydrophobicContact CD1-CG 4.2Å; L41-F117 HydrophobicContact CD1-CB 4Å; L41-F117 HydrophobicContact CD1-CG 4.38Å; L41-F117 HydrophobicContact CD2-CD1 4.13Å; L41-L119 HydrophobicContact CD1-CD2 4.37Å; L41-L119 HydrophobicContact CD2-CD2 4.04Å |
| 42 | N | 95.6 | Very high | 92.5 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.1 | 177.6 | -168 | 2.5 | 0 | 0 | 0 | 110.4 | S85 V87 | N42-S85 PolarHBondContact OD1-OG 2.88Å; N42-V87 HydrophobicContact CB-CG2 4.32Å |
| 43 | C | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.2 | 170.2 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | I53 W55 S85 K86 C104 | C43-I53 HydrophobicContact CB-CD1 4.36Å; C43-W55 HydrophobicContact CB-CH2 3.99Å; C43-W55 HydrophobicContact CB-CZ2 3.39Å; C43-S85 CarbonylContact O-C 3.49Å; C43-S85 VanDerWaalsContact O-CA 3.3Å; C43-S85 WeakPolarHBondContact O-CA 3.45Å; C43-S85 PolarHBondContact O-OG 2.81Å; C43-K86 PolarHBondContact N-O 3.14Å; C43-K86 PolarHBondContact O-N 2.88Å; C43-C104 HydrophobicContact CB-CB 3.61Å; C43-C104 WeakPolarHBondContact CB-SG 3.34Å; C43-C104 WeakPolarHBondContact SG-CB 3.5Å; C43-C104 CovalentContact SG-SG 2.02Å; C43-C104 PolarHBondContact SG-SG 3.13Å |
| 44 | S | 95.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.4 | 179.2 | -49.7 | 0 | 0 | 0 | 0 | 109.9 | L24 A84 S85 | L24-S44 PolarHBondContact N-O 2.9Å; S44-A84 CarbonylContact C-O 3.58Å; S44-A84 VanDerWaalsContact CA-O 3.25Å; S44-A84 WeakPolarHBondContact CA-O 3.25Å; S44-S85 PolarHBondContact OG-OG 3.22Å |
| 45 | A | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 147.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V22 L23 L47 I53 H83 A84 V106 | V22-A45 WeakPolarHBondContact O-CA 3.44Å; L23-A45 HydrophobicContact CD2-CB 3.65Å; A45-L47 HydrophobicContact CB-CD2 4.07Å; A45-I53 HydrophobicContact CB-CD1 4.15Å; A45-H83 WeakPolarHBondContact O-CA 3.35Å; A45-A84 PolarHBondContact N-O 3.3Å; A45-A84 PolarHBondContact O-N 2.79Å; A45-V106 HydrophobicContact CB-CB 4.44Å; A45-V106 HydrophobicContact CB-CG2 4.43Å |
| 46 | L | 92.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.9 | 163.5 | -164.9 | 73.4 | 0 | 0 | 0 | 107.7 | I19 P21 V22 T77 K81 W82 | I19-L46 HydrophobicContact CD1-CB 4.49Å; I19-L46 HydrophobicContact CD1-CD2 4.01Å; I19-L46 HydrophobicContact CD1-CG 3.8Å; P21-L46 VanDerWaalsContact CA-O 3.31Å; P21-L46 WeakPolarHBondContact CA-O 3.23Å; V22-L46 PolarHBondContact N-O 3.11Å; V22-L46 PolarHBondContact O-N 2.81Å; L46-T77 HydrophobicContact CD1-CG2 4.28Å; L46-K81 HydrophobicContact CD1-CB 3.93Å; L46-K81 HydrophobicContact CD1-CD 4.45Å; L46-K81 HydrophobicContact CD2-CD 3.86Å; L46-K81 HydrophobicContact CG-CB 4.35Å; L46-K81 HydrophobicContact CG-CD 4.36Å; L46-W82 WeakPolarHBondContact CA-O 3.37Å |
| 47 | L | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 172.4 | -170.6 | 57.6 | 74.7 | 0 | 0 | 0 | 112.3 | P21 A45 D51 I53 W82 A84 V106 | P21-L47 HydrophobicContact CB-CB 4.14Å; A45-L47 HydrophobicContact CB-CD2 4.07Å; L47-D51 HydrophobicContact CB-CB 3.8Å; L47-D51 HydrophobicContact CD1-CB 4.13Å; L47-D51 HydrophobicContact CD2-CB 4.31Å; L47-D51 HydrophobicContact CG-CB 4.3Å; L47-I53 HydrophobicContact CD2-CB 4.3Å; L47-I53 HydrophobicContact CD2-CG2 4.41Å; L47-W82 HydrophobicContact CD1-CB 3.95Å; L47-W82 PolarHBondContact N-O 2.52Å; L47-W82 WeakPolarHBondContact O-CB 3.25Å; L47-W82 PolarHBondContact O-N 2.94Å; L47-W82 VanDerWaalsContact O-N 3.14Å; L47-A84 HydrophobicContact CD1-CB 4.04Å; L47-A84 HydrophobicContact CD2-CB 3.54Å; L47-A84 HydrophobicContact CG-CB 3.87Å; L47-V106 HydrophobicContact CB-CG2 4.07Å; L47-V106 HydrophobicContact CD2-CG2 3.64Å |
| 48 | N | 89.6 | Confident | 91.4 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | trans | -87.4 | 169.7 | 173.9 | -52.1 | -68.1 | 0 | 0 | 0 | 111.5 | N18 I19 E50 D51 | N18-N48 WeakPolarHBondContact CA-OD1 3.38Å; I19-N48 VanDerWaalsContact CG1-OD1 3.31Å; I19-N48 WeakPolarHBondContact CG1-OD1 3.31Å; I19-N48 PolarHBondContact N-OD1 3.33Å; I19-N48 PolarHBondContact O-ND2 3.44Å; N48-E50 VanDerWaalsContact C-N 3.3Å; N48-E50 PolarHBondContact O-N 2.85Å; N48-D51 WeakPolarHBondContact CB-OD2 3.31Å; N48-D51 PolarHBondContact N-OD2 2.87Å; N48-D51 PolarHBondContact ND2-OD2 2.97Å; N48-D51 WeakPolarHBondContact O-CB 3.3Å; N48-D51 PolarHBondContact O-N 3.04Å | ||
| 49 | E | 85.6 | Confident | 89.9 | Confident | 128 Ų | 128 | 52.3 Ų | 52.3 | 60% | 0.598 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -39.5 | -177.8 | -169.5 | 176.7 | 174.6 | 0 | 0 | 113.4 | D51 R74 | E49-D51 VanDerWaalsContact C-N 3.34Å; E49-R74 PolarHBondContact O-NH1 3.14Å |
| 50 | E | 86.9 | Confident | 88.2 | Confident | 136 Ų | 136 | 60.5 Ų | 60.5 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5.3 | -176.3 | -62.7 | 177.3 | -168.2 | 0 | 0 | 113.2 | R16 N48 | R16-E50 IonicContact CZ-OE1 2.85Å; R16-E50 IonicContact NH1-OE1 2.65Å; R16-E50 PolarHBondContact NH1-OE1 2.89Å; N48-E50 VanDerWaalsContact C-N 3.3Å; N48-E50 PolarHBondContact O-N 2.85Å |
| 51 | D | 91.8 | Very high | 86.2 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | trans | -77.1 | 154.9 | -176.8 | -64.1 | -9.2 | 0 | 0 | 0 | 111.6 | L47 N48 E49 R74 S108 | L47-D51 HydrophobicContact CB-CB 3.8Å; L47-D51 HydrophobicContact CD1-CB 4.13Å; L47-D51 HydrophobicContact CD2-CB 4.31Å; L47-D51 HydrophobicContact CG-CB 4.3Å; N48-D51 WeakPolarHBondContact CB-OD2 3.31Å; N48-D51 PolarHBondContact N-OD2 2.87Å; N48-D51 PolarHBondContact ND2-OD2 2.97Å; N48-D51 WeakPolarHBondContact O-CB 3.3Å; N48-D51 PolarHBondContact O-N 3.04Å; E49-D51 VanDerWaalsContact C-N 3.34Å; D51-R74 PolarHBondContact O-NH2 2.98Å; D51-S108 VanDerWaalsContact CG-OG 3.24Å; D51-S108 WeakPolarHBondContact OD1-CB 3.24Å; D51-S108 PolarHBondContact OD1-OG 2.78Å; D51-S108 WeakPolarHBondContact OD2-CB 3.46Å; D51-S108 PolarHBondContact OD2-OG 3.15Å | ||
| 52 | V | 92.7 | Very high | 84.4 | Confident | 76 Ų | 76 | 62.7 Ų | 62.7 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134 | -176.5 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | Y54 V106 A107 | V52-Y54 HydrophobicContact CG1-CD1 4.33Å; V52-V106 WeakPolarHBondContact O-CA 3.46Å; V52-A107 PolarHBondContact N-O 2.9Å; V52-A107 PolarHBondContact O-N 2.94Å |
| 53 | I | 95.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.9 | 170.5 | -178.9 | 176.8 | 0 | 0 | 0 | 109.4 | C43 A45 L47 E72 A84 K86 T105 | C43-I53 HydrophobicContact CB-CD1 4.36Å; A45-I53 HydrophobicContact CB-CD1 4.15Å; L47-I53 HydrophobicContact CD2-CB 4.3Å; L47-I53 HydrophobicContact CD2-CG2 4.41Å; I53-E72 HydrophobicContact CG2-CG 3.82Å; I53-E72 VanDerWaalsContact CG2-OE1 3.25Å; I53-E72 WeakPolarHBondContact CG2-OE1 3.46Å; I53-A84 HydrophobicContact CG2-CB 4.1Å; I53-K86 HydrophobicContact CD1-CB 4.04Å; I53-K86 HydrophobicContact CG1-CB 4.23Å; I53-K86 HydrophobicContact CG2-CB 4.24Å; I53-K86 HydrophobicContact CG2-CD 4.37Å; I53-K86 VanDerWaalsContact O-CD 3.26Å; I53-K86 WeakPolarHBondContact O-CD 2.99Å; I53-K86 PolarHBondContact O-NZ 2.94Å; I53-T105 WeakPolarHBondContact CA-O 3.48Å |
| 54 | Y | 93.2 | Very high | 82.1 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.3 | -179.1 | 63.4 | -85 | 0 | 0 | 0 | 111.9 | V52 M56 T105 A107 | V52-Y54 HydrophobicContact CG1-CD1 4.33Å; Y54-M56 HydrophobicContact CD2-CG 3.88Å; Y54-M56 HydrophobicContact CE2-CG 3.51Å; Y54-M56 HydrophobicContact CE2-SD 3.84Å; Y54-T105 HydrophobicContact CE1-CG2 4.19Å; Y54-T105 PolarHBondContact N-O 3.39Å; Y54-T105 PolarHBondContact O-N 3Å; Y54-A107 HydrophobicContact CE1-CB 4.1Å |
| 55 | W | 94.1 | Very high | 81.3 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 5% | 0.053 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.6 | 172.7 | -72.2 | 93.4 | 0 | 0 | 0 | 111 | L41 C43 F57 E69 K86 L88 N103 C104 F117 | L41-W55 HydrophobicContact CB-CH2 3.69Å; L41-W55 HydrophobicContact CB-CZ2 4.1Å; L41-W55 HydrophobicContact CB-CZ3 4.44Å; L41-W55 HydrophobicContact CD1-CH2 4.47Å; L41-W55 HydrophobicContact CD1-CZ3 4.46Å; L41-W55 WeakPolarHBondContact O-CZ2 3.4Å; C43-W55 HydrophobicContact CB-CH2 3.99Å; C43-W55 HydrophobicContact CB-CZ2 3.39Å; W55-F57 HydrophobicContact CB-CD1 3.95Å; W55-F57 HydrophobicContact CB-CE1 4.11Å; W55-E69 HydrophobicContact CB-CG 4.5Å; W55-E69 VanDerWaalsContact CD1-OE1 3.28Å; W55-E69 PolarHBondContact N-OE1 2.77Å; W55-K86 PolarHBondContact NE1-O 2.84Å; W55-L88 HydrophobicContact CB-CD1 4.11Å; W55-L88 HydrophobicContact CB-CD2 4.49Å; W55-L88 HydrophobicContact CD2-CB 3.72Å; W55-L88 HydrophobicContact CD2-CD2 4.06Å; W55-L88 HydrophobicContact CD2-CG 4.34Å; W55-L88 HydrophobicContact CE3-CB 4.17Å; W55-L88 HydrophobicContact CE3-CD2 3.86Å; W55-L88 HydrophobicContact CG-CB 4.01Å; W55-L88 HydrophobicContact CG-CD1 4.11Å; W55-L88 HydrophobicContact CG-CD2 4.36Å; W55-L88 HydrophobicContact CG-CG 4.4Å; W55-L88 HydrophobicContact CH2-CB 4.39Å; W55-L88 HydrophobicContact CZ2-CB 3.98Å; W55-L88 HydrophobicContact CZ3-CB 4.49Å; W55-L88 HydrophobicContact CZ3-CD2 4.36Å; W55-N103 CarbonylContact C-O 3.59Å; W55-N103 WeakPolarHBondContact CA-O 3.37Å; W55-C104 HydrophobicContact CD2-CB 4.1Å; W55-C104 HydrophobicContact CE3-CB 3.89Å; W55-C104 HydrophobicContact CH2-CB 3.97Å; W55-C104 HydrophobicContact CZ2-CB 4.17Å; W55-C104 HydrophobicContact CZ3-CB 3.82Å; W55-F117 AromaticContact CH2-CD2 3.56Å; W55-F117 HydrophobicContact CH2-CD2 3.56Å; W55-F117 AromaticContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CE2 3.44Å; W55-F117 VanDerWaalsContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CG 4.31Å; W55-F117 HydrophobicContact CH2-CZ 4.1Å; W55-F117 HydrophobicContact CZ2-CE2 4.47Å; W55-F117 AromaticContact CZ3-CD2 3.6Å; W55-F117 HydrophobicContact CZ3-CD2 3.6Å; W55-F117 AromaticContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CG 4.41Å |
| 56 | M | 89.6 | Confident | 81 | Confident | 79 Ų | 79 | 71 Ų | 71 | 39% | 0.389 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.4 | 165.5 | -61.4 | -176.1 | -60.1 | 0 | 0 | 107.4 | Y54 N103 T105 | Y54-M56 HydrophobicContact CD2-CG 3.88Å; Y54-M56 HydrophobicContact CE2-CG 3.51Å; Y54-M56 HydrophobicContact CE2-SD 3.84Å; M56-N103 HydrophobicContact CB-CB 4.21Å; M56-N103 HydrophobicContact CE-CB 3.84Å; M56-N103 PolarHBondContact N-O 2.98Å; M56-N103 PolarHBondContact O-N 3.34Å; M56-T105 VanDerWaalsContact CE-OG1 3.32Å; M56-T105 WeakPolarHBondContact CE-OG1 3.48Å |
| 57 | F | 85.1 | Confident | 80.8 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 11% | 0.114 | 39% | 0.385 | C | S | . | . | trans | -123.7 | 139.9 | 169.9 | 46.6 | -88.6 | 0 | 0 | 0 | 105.8 | W55 E59 I67 L88 Y102 | W55-F57 HydrophobicContact CB-CD1 3.95Å; W55-F57 HydrophobicContact CB-CE1 4.11Å; F57-E59 VanDerWaalsContact C-N 3.35Å; F57-E59 HydrophobicContact CD2-CG 4.34Å; F57-E59 HydrophobicContact CE2-CG 4.12Å; F57-E59 PolarHBondContact O-N 2.77Å; F57-I67 HydrophobicContact CB-CD1 4.46Å; F57-I67 HydrophobicContact CD1-CG2 4.14Å; F57-I67 HydrophobicContact CD2-CB 4.43Å; F57-I67 HydrophobicContact CD2-CD1 4.18Å; F57-I67 HydrophobicContact CD2-CG2 3.87Å; F57-I67 HydrophobicContact CE1-CG2 4.26Å; F57-I67 HydrophobicContact CE2-CB 4.48Å; F57-I67 HydrophobicContact CE2-CG2 3.98Å; F57-I67 HydrophobicContact CG-CG2 3.95Å; F57-I67 HydrophobicContact CZ-CG2 4.18Å; F57-L88 HydrophobicContact CD1-CD1 3.81Å; F57-L88 HydrophobicContact CD1-CD2 4.15Å; F57-L88 HydrophobicContact CE1-CD1 3.78Å; F57-Y102 HydrophobicContact CB-CD1 3.82Å; F57-Y102 HydrophobicContact CB-CE1 4.07Å | ||
| 58 | G | 69.9 | Low | 80.8 | Confident | 64 Ų | 64 | 73 Ų | 73 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | trans | -57.3 | 88.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E60 | G58-E60 PolarHBondContact O-N 2.86Š| ||
| 59 | E | 61.8 | Low | 80.9 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -74.1 | -5 | 173.2 | -74.5 | -179.5 | 176.4 | 0 | 0 | 112.4 | F57 N61 G62 | F57-E59 VanDerWaalsContact C-N 3.35Å; F57-E59 HydrophobicContact CD2-CG 4.34Å; F57-E59 HydrophobicContact CE2-CG 4.12Å; F57-E59 PolarHBondContact O-N 2.77Å; E59-N61 PolarHBondContact O-N 3.48Å; E59-N61 VanDerWaalsContact O-N 3.13Å; E59-G62 PolarHBondContact O-N 2.91Å |
| 60 | E | 58.8 | Low | 81.3 | Confident | 191 Ų | 191 | 71.8 Ų | 71.8 | 89% | 0.893 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -55.6 | -30.5 | 180 | -108 | -176.2 | 165.3 | 0 | 0 | 113.3 | G58 | G58-E60 PolarHBondContact O-N 2.86Š|
| 61 | N | 54.4 | Low | 81.5 | Confident | 166 Ų | 166 | 74.8 Ų | 74.8 | 89% | 0.888 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -103.5 | 14 | 179.5 | -69 | -29.5 | 0 | 0 | 0 | 113.6 | E59 | E59-N61 PolarHBondContact O-N 3.48Å; E59-N61 VanDerWaalsContact O-N 3.13Å |
| 62 | G | 57.7 | Low | 81.6 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 46% | 0.464 | 41% | 0.414 | S | S | . | . | trans | 99.4 | 150.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E59 D64 | E59-G62 PolarHBondContact O-N 2.91Å; G62-D64 PolarHBondContact O-N 2.98Å | ||
| 63 | S | 67.2 | Low | 81.6 | Confident | 88 Ų | 88 | 78.6 Ų | 78.6 | 62% | 0.615 | 42% | 0.419 | S | S | * | . | trans | -60.2 | 110 | 174 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | P65 | S63-P65 WeakPolarHBondContact O-CD 3.35Š| ||
| 64 | D | 74.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 82.9 Ų | 82.9 | 22% | 0.219 | 44% | 0.435 | C | S | . | . | trans | -63.2 | 117.7 | 172 | -171.2 | -19.4 | 0 | 0 | 0 | 108.1 | G62 N66 I67 N97 | G62-D64 PolarHBondContact O-N 2.98Å; D64-N66 PolarHBondContact O-N 2.79Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 2.88Å; D64-N66 VanDerWaalsContact OD1-N 3.13Å; D64-N66 PolarHBondContact OD1-ND2 2.67Å; D64-I67 HydrophobicContact CB-CD1 3.83Å; D64-I67 HydrophobicContact CB-CG1 4Å; D64-I67 PolarHBondContact O-N 2.99Å; D64-I67 VanDerWaalsContact O-N 3.1Å; D64-N97 PolarHBondContact OD2-ND2 2.8Å | ||
| 65 | P | 79.8 | Confident | 81.5 | Confident | 99 Ų | 99 | 83.7 Ų | 83.7 | 64% | 0.643 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12.2 | -177.4 | 27.5 | -36.3 | 0 | 0 | 0 | 112.9 | S63 H68 | S63-P65 WeakPolarHBondContact O-CD 3.35Å; P65-H68 PolarHBondContact O-CE1 2.93Å; P65-H68 PolarHBondContact O-NE2 3.3Å |
| 66 | N | 87.8 | Confident | 81.3 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 29% | 0.289 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15.2 | 179.7 | -58.7 | -37.7 | 0 | 0 | 0 | 113.1 | D64 H68 E91 | D64-N66 PolarHBondContact O-N 2.79Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 2.88Å; D64-N66 VanDerWaalsContact OD1-N 3.13Å; D64-N66 PolarHBondContact OD1-ND2 2.67Å; N66-H68 PolarHBondContact O-ND1 2.82Å; N66-E91 WeakPolarHBondContact CB-O 3.32Å; N66-E91 PolarHBondContact O-N 2.71Å |
| 67 | I | 90.1 | Very high | 81.1 | Confident | 19 Ų | 19 | 86.2 Ų | 86.2 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.4 | -175.5 | -56.5 | 176.3 | 0 | 0 | 0 | 109.7 | F57 D64 L88 I90 Y102 | F57-I67 HydrophobicContact CB-CD1 4.46Å; F57-I67 HydrophobicContact CD1-CG2 4.14Å; F57-I67 HydrophobicContact CD2-CB 4.43Å; F57-I67 HydrophobicContact CD2-CD1 4.18Å; F57-I67 HydrophobicContact CD2-CG2 3.87Å; F57-I67 HydrophobicContact CE1-CG2 4.26Å; F57-I67 HydrophobicContact CE2-CB 4.48Å; F57-I67 HydrophobicContact CE2-CG2 3.98Å; F57-I67 HydrophobicContact CG-CG2 3.95Å; F57-I67 HydrophobicContact CZ-CG2 4.18Å; D64-I67 HydrophobicContact CB-CD1 3.83Å; D64-I67 HydrophobicContact CB-CG1 4Å; D64-I67 PolarHBondContact O-N 2.99Å; D64-I67 VanDerWaalsContact O-N 3.1Å; I67-L88 HydrophobicContact CG2-CD1 3.64Å; I67-L88 HydrophobicContact CG2-CD2 4.23Å; I67-L88 HydrophobicContact CG2-CG 4.04Å; I67-I90 HydrophobicContact CG1-CG1 4.31Å; I67-I90 HydrophobicContact CG1-CG2 4.3Å; I67-I90 HydrophobicContact CG2-CG1 4.41Å; I67-Y102 HydrophobicContact CD1-CE1 3.97Å |
| 68 | H | 91.3 | Very high | 81.1 | Confident | 70 Ų | 70 | 91.1 Ų | 91.1 | 32% | 0.324 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 122.3 | -176.1 | -59.9 | 87.7 | 0 | 0 | 0 | 110.6 | P65 N66 R89 E91 | P65-H68 PolarHBondContact O-CE1 2.93Å; P65-H68 PolarHBondContact O-NE2 3.3Å; N66-H68 PolarHBondContact O-ND1 2.82Å; H68-R89 HydrophobicContact CB-CB 4.46Å; H68-R89 PolarHBondContact N-O 2.86Å; H68-R89 PolarHBondContact O-N 2.83Å; H68-E91 IonicContact ND1-OE1 2.89Å |
| 69 | E | 91.9 | Very high | 81.5 | Confident | 79 Ų | 79 | 94.5 Ų | 94.5 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.3 | 171.2 | -155 | -178.8 | -157.9 | 0 | 0 | 109.7 | W55 K86 L88 | W55-E69 HydrophobicContact CB-CG 4.5Å; W55-E69 VanDerWaalsContact CD1-OE1 3.28Å; W55-E69 PolarHBondContact N-OE1 2.77Å; E69-K86 HydrophobicContact CG-CD 4.21Å; E69-K86 HydrophobicContact CG-CG 4.35Å; E69-K86 VanDerWaalsContact OE1-CD 3.23Å; E69-K86 WeakPolarHBondContact OE1-CD 3.47Å; E69-K86 WeakPolarHBondContact OE1-CE 2.96Å; E69-K86 IonicContact OE1-NZ 2.67Å; E69-K86 PolarHBondContact OE1-NZ 2.74Å; E69-K86 WeakPolarHBondContact OE2-CE 3.23Å; E69-K86 IonicContact OE2-NZ 3.22Å; E69-K86 PolarHBondContact OE2-NZ 3.18Å; E69-L88 HydrophobicContact CB-CD1 4.32Å; E69-L88 HydrophobicContact CG-CD1 4.42Å |
| 70 | E | 92.9 | Very high | 82.3 | Confident | 42 Ų | 42 | 90.7 Ų | 90.7 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 158.8 | 177.1 | -65.6 | -177.6 | -168.9 | 0 | 0 | 111.3 | R40 E72 V87 R89 | R40-E70 IonicContact CZ-OE1 3.88Å; R40-E70 IonicContact CZ-OE2 2.91Å; R40-E70 IonicContact NE-OE1 3.67Å; R40-E70 PolarHBondContact NE-OE1 3.34Å; R40-E70 VanDerWaalsContact NE-OE1 3.13Å; R40-E70 IonicContact NE-OE2 3.48Å; R40-E70 IonicContact NH2-OE1 2.7Å; R40-E70 PolarHBondContact NH2-OE1 2.58Å; R40-E70 IonicContact NH2-OE2 3.69Å; R40-E70 PolarHBondContact NH2-OE2 2.8Å; E70-E72 PolarHBondContact O-N 2.79Å; E70-V87 HydrophobicContact CB-CB 4.12Å; E70-V87 WeakPolarHBondContact CB-O 3.25Å; E70-V87 HydrophobicContact CG-CB 4.31Å; E70-V87 HydrophobicContact CG-CG1 4.46Å; E70-V87 PolarHBondContact N-O 2.95Å; E70-R89 HydrophobicContact CG-CB 4.45Å; E70-R89 IonicContact OE1-CZ 2.74Å; E70-R89 IonicContact OE1-NH1 3.97Å; E70-R89 PolarHBondContact OE1-NH1 2.74Å |
| 71 | K | 92.2 | Very high | 83.5 | Confident | 199 Ų | 199 | 85.6 Ų | 85.6 | 87% | 0.865 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 132.8 | 177.2 | -173.6 | 177.6 | 178.7 | 179.9 | 0 | 110.4 | ||
| 72 | E | 93 | Very high | 85.2 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 22% | 0.22 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 137.7 | 175.4 | -171.9 | -174.4 | 161 | 0 | 0 | 111.6 | I53 E70 R74 K86 | I53-E72 HydrophobicContact CG2-CG 3.82Å; I53-E72 VanDerWaalsContact CG2-OE1 3.25Å; I53-E72 WeakPolarHBondContact CG2-OE1 3.46Å; E70-E72 PolarHBondContact O-N 2.79Å; E72-R74 HydrophobicContact CG-CG 4.37Å; E72-R74 IonicContact OE1-CZ 2.85Å; E72-R74 IonicContact OE1-NE 3.48Å; E72-R74 PolarHBondContact OE1-NE 2.84Å; E72-R74 IonicContact OE1-NH2 2.52Å; E72-R74 PolarHBondContact OE1-NH2 2.92Å; E72-R74 IonicContact OE2-NE 2.91Å; E72-R74 IonicContact OE2-NH2 2.8Å; E72-R74 PolarHBondContact OE2-NH2 2.02Å; E72-K86 HydrophobicContact CB-CD 4.46Å; E72-K86 HydrophobicContact CB-CG 4.39Å |
| 73 | M | 93.3 | Very high | 86.9 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 57% | 0.571 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.3 | 174.8 | -167.6 | -171.7 | -29 | 0 | 0 | 109.4 | I75 A84 S85 | M73-I75 HydrophobicContact SD-CD1 4.37Å; M73-A84 CarbonylContact O-C 3.58Å; M73-A84 VanDerWaalsContact O-CA 3.31Å; M73-A84 WeakPolarHBondContact O-CA 3.16Å; M73-S85 PolarHBondContact N-O 2.92Å; M73-S85 PolarHBondContact O-N 2.82Å |
| 74 | R | 93.8 | Very high | 88.2 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.9 | 177.7 | -65.2 | -176.3 | 180 | -153.2 | -9.9 | 110.3 | E49 D51 E72 W82 H83 A84 | E49-R74 PolarHBondContact O-NH1 3.14Å; D51-R74 PolarHBondContact O-NH2 2.98Å; E72-R74 HydrophobicContact CG-CG 4.37Å; E72-R74 IonicContact OE1-CZ 2.85Å; E72-R74 IonicContact OE1-NE 3.48Å; E72-R74 PolarHBondContact OE1-NE 2.84Å; E72-R74 IonicContact OE1-NH2 2.52Å; E72-R74 PolarHBondContact OE1-NH2 2.92Å; E72-R74 IonicContact OE2-NE 2.91Å; E72-R74 IonicContact OE2-NH2 2.8Å; E72-R74 PolarHBondContact OE2-NH2 2.02Å; R74-W82 HydrophobicContact CB-CE3 4.01Å; R74-W82 HydrophobicContact CB-CZ3 4.24Å; R74-H83 WeakPolarHBondContact CA-O 3.49Å; R74-A84 HydrophobicContact CG-CB 4.18Å |
| 75 | I | 92.8 | Very high | 89.2 | Confident | 99 Ų | 99 | 76 Ų | 76 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.1 | 177 | -57.7 | 174.7 | 0 | 0 | 0 | 107.6 | M73 H83 | M73-I75 HydrophobicContact SD-CD1 4.37Å; I75-H83 PolarHBondContact N-O 2.66Å; I75-H83 PolarHBondContact O-N 3.38Å |
| 76 | M | 90.2 | Very high | 90 | Very high | 120 Ų | 120 | 72.4 Ų | 72.4 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.9 | 173.8 | -166.7 | 173.1 | 72.1 | 0 | 0 | 109.4 | W82 | M76-W82 HydrophobicContact CB-CE3 4.18Å; M76-W82 HydrophobicContact CB-CH2 4.27Å; M76-W82 HydrophobicContact CB-CZ3 4.04Å |
| 77 | T | 85.8 | Confident | 90.3 | Very high | 25 Ų | 25 | 70.8 Ų | 70.8 | 15% | 0.153 | 35% | 0.354 | C | S | . | . | trans | -79.4 | 157 | 175.4 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | L46 E79 G80 K81 H83 | L46-T77 HydrophobicContact CD1-CG2 4.28Å; T77-E79 VanDerWaalsContact CB-OE2 3.23Å; T77-E79 WeakPolarHBondContact CB-OE2 3.14Å; T77-E79 PolarHBondContact O-N 3.06Å; T77-E79 VanDerWaalsContact O-N 3.11Å; T77-E79 PolarHBondContact OG1-OE2 2.91Å; T77-G80 PolarHBondContact O-N 2.7Å; T77-K81 WeakPolarHBondContact CB-O 3.42Å; T77-K81 PolarHBondContact N-O 2.85Å; T77-K81 WeakPolarHBondContact OG1-CA 3.4Å; T77-K81 WeakPolarHBondContact OG1-CB 2.88Å; T77-K81 PolarHBondContact OG1-N 2.78Å; T77-K81 PolarHBondContact OG1-O 2.88Å; T77-H83 HydrophobicContact CG2-CB 3.97Å | ||
| 78 | P | 83.5 | Confident | 90.6 | Very high | 129 Ų | 129 | 69.9 Ų | 69.9 | 84% | 0.838 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.5 | 176.7 | -23.9 | 34.1 | 0 | 0 | 0 | 113.6 | G80 | P78-G80 PolarHBondContact O-N 3.49Š|
| 79 | E | 79 | Confident | 90.7 | Very high | 135 Ų | 135 | 69.9 Ų | 69.9 | 63% | 0.631 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 6.2 | 178.7 | -53.8 | 75.6 | -159.1 | 0 | 0 | 113.2 | T77 K81 | T77-E79 VanDerWaalsContact CB-OE2 3.23Å; T77-E79 WeakPolarHBondContact CB-OE2 3.14Å; T77-E79 PolarHBondContact O-N 3.06Å; T77-E79 VanDerWaalsContact O-N 3.11Å; T77-E79 PolarHBondContact OG1-OE2 2.91Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.2Å |
| 80 | G | 78.7 | Confident | 90.8 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 77.4 | 10.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T77 P78 | T77-G80 PolarHBondContact O-N 2.7Å; P78-G80 PolarHBondContact O-N 3.49Å |
| 81 | K | 82.9 | Confident | 90.8 | Very high | 85 Ų | 85 | 67.1 Ų | 67.1 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | trans | -94.4 | 155.4 | 177.2 | -55.2 | 174.8 | -178.7 | 179.4 | 0 | 110.9 | I19 L46 T77 E79 | I19-K81 HydrophobicContact CD1-CD 4.27Å; I19-K81 HydrophobicContact CG2-CD 4.46Å; L46-K81 HydrophobicContact CD1-CB 3.93Å; L46-K81 HydrophobicContact CD1-CD 4.45Å; L46-K81 HydrophobicContact CD2-CD 3.86Å; L46-K81 HydrophobicContact CG-CB 4.35Å; L46-K81 HydrophobicContact CG-CD 4.36Å; T77-K81 WeakPolarHBondContact CB-O 3.42Å; T77-K81 PolarHBondContact N-O 2.85Å; T77-K81 WeakPolarHBondContact OG1-CA 3.4Å; T77-K81 WeakPolarHBondContact OG1-CB 2.88Å; T77-K81 PolarHBondContact OG1-N 2.78Å; T77-K81 PolarHBondContact OG1-O 2.88Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.2Å | ||
| 82 | W | 90.6 | Very high | 90.8 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 25% | 0.254 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.3 | 176.3 | -68.6 | 94.5 | 0 | 0 | 0 | 111.5 | L46 L47 R74 M76 | L46-W82 WeakPolarHBondContact CA-O 3.37Å; L47-W82 HydrophobicContact CD1-CB 3.95Å; L47-W82 PolarHBondContact N-O 2.52Å; L47-W82 WeakPolarHBondContact O-CB 3.25Å; L47-W82 PolarHBondContact O-N 2.94Å; L47-W82 VanDerWaalsContact O-N 3.14Å; R74-W82 HydrophobicContact CB-CE3 4.01Å; R74-W82 HydrophobicContact CB-CZ3 4.24Å; M76-W82 HydrophobicContact CB-CE3 4.18Å; M76-W82 HydrophobicContact CB-CH2 4.27Å; M76-W82 HydrophobicContact CB-CZ3 4.04Å |
| 83 | H | 93.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 110.7 | 168.5 | 179.9 | -85.7 | 0 | 0 | 0 | 108.8 | L24 A45 R74 I75 T77 | L24-H83 WeakPolarHBondContact CD1-NE2 3.31Å; A45-H83 WeakPolarHBondContact O-CA 3.35Å; R74-H83 WeakPolarHBondContact CA-O 3.49Å; I75-H83 PolarHBondContact N-O 2.66Å; I75-H83 PolarHBondContact O-N 3.38Å; T77-H83 HydrophobicContact CG2-CB 3.97Å |
| 84 | A | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 144.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | S44 A45 L47 I53 M73 R74 | S44-A84 CarbonylContact C-O 3.58Å; S44-A84 VanDerWaalsContact CA-O 3.25Å; S44-A84 WeakPolarHBondContact CA-O 3.25Å; A45-A84 PolarHBondContact N-O 3.3Å; A45-A84 PolarHBondContact O-N 2.79Å; L47-A84 HydrophobicContact CD1-CB 4.04Å; L47-A84 HydrophobicContact CD2-CB 3.54Å; L47-A84 HydrophobicContact CG-CB 3.87Å; I53-A84 HydrophobicContact CG2-CB 4.1Å; M73-A84 CarbonylContact O-C 3.58Å; M73-A84 VanDerWaalsContact O-CA 3.31Å; M73-A84 WeakPolarHBondContact O-CA 3.16Å; R74-A84 HydrophobicContact CG-CB 4.18Å |
| 85 | S | 95.3 | Very high | 90.3 | Very high | 15 Ų | 15 | 58 Ų | 58 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.2 | 175.1 | -148.9 | 0 | 0 | 0 | 0 | 109.7 | N42 C43 S44 M73 | N42-S85 PolarHBondContact OD1-OG 2.88Å; C43-S85 CarbonylContact O-C 3.49Å; C43-S85 VanDerWaalsContact O-CA 3.3Å; C43-S85 WeakPolarHBondContact O-CA 3.45Å; C43-S85 PolarHBondContact O-OG 2.81Å; S44-S85 PolarHBondContact OG-OG 3.22Å; M73-S85 PolarHBondContact N-O 2.92Å; M73-S85 PolarHBondContact O-N 2.82Å |
| 86 | K | 95.7 | Very high | 90 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 10% | 0.104 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.7 | 176.6 | -156.5 | 173.3 | -163.4 | -167.3 | 0 | 109.8 | C43 I53 W55 E69 E72 | C43-K86 PolarHBondContact N-O 3.14Å; C43-K86 PolarHBondContact O-N 2.88Å; I53-K86 HydrophobicContact CD1-CB 4.04Å; I53-K86 HydrophobicContact CG1-CB 4.23Å; I53-K86 HydrophobicContact CG2-CB 4.24Å; I53-K86 HydrophobicContact CG2-CD 4.37Å; I53-K86 VanDerWaalsContact O-CD 3.26Å; I53-K86 WeakPolarHBondContact O-CD 2.99Å; I53-K86 PolarHBondContact O-NZ 2.94Å; W55-K86 PolarHBondContact NE1-O 2.84Å; E69-K86 HydrophobicContact CG-CD 4.21Å; E69-K86 HydrophobicContact CG-CG 4.35Å; E69-K86 VanDerWaalsContact OE1-CD 3.23Å; E69-K86 WeakPolarHBondContact OE1-CD 3.47Å; E69-K86 WeakPolarHBondContact OE1-CE 2.96Å; E69-K86 IonicContact OE1-NZ 2.67Å; E69-K86 PolarHBondContact OE1-NZ 2.74Å; E69-K86 WeakPolarHBondContact OE2-CE 3.23Å; E69-K86 IonicContact OE2-NZ 3.22Å; E69-K86 PolarHBondContact OE2-NZ 3.18Å; E72-K86 HydrophobicContact CB-CD 4.46Å; E72-K86 HydrophobicContact CB-CG 4.39Å |
| 87 | V | 95.8 | Very high | 89.9 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.5 | -174.9 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | R40 L41 N42 E70 | R40-V87 HydrophobicContact CB-CG1 3.91Å; R40-V87 HydrophobicContact CG-CG1 4.39Å; L41-V87 CarbonylContact O-C 3.57Å; L41-V87 VanDerWaalsContact O-CA 3.29Å; L41-V87 WeakPolarHBondContact O-CA 3.26Å; N42-V87 HydrophobicContact CB-CG2 4.32Å; E70-V87 HydrophobicContact CB-CB 4.12Å; E70-V87 WeakPolarHBondContact CB-O 3.25Å; E70-V87 HydrophobicContact CG-CB 4.31Å; E70-V87 HydrophobicContact CG-CG1 4.46Å; E70-V87 PolarHBondContact N-O 2.95Å |
| 88 | L | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.2 | 168.6 | -168.6 | 69.6 | 0 | 0 | 0 | 108.8 | R40 L41 W55 F57 I67 E69 I90 Y102 | R40-L88 WeakPolarHBondContact CA-O 3.44Å; L41-L88 HydrophobicContact CB-CB 4.31Å; L41-L88 HydrophobicContact CD1-CD2 4.47Å; L41-L88 PolarHBondContact N-O 2.93Å; L41-L88 PolarHBondContact O-N 2.89Å; W55-L88 HydrophobicContact CB-CD1 4.11Å; W55-L88 HydrophobicContact CB-CD2 4.49Å; W55-L88 HydrophobicContact CD2-CB 3.72Å; W55-L88 HydrophobicContact CD2-CD2 4.06Å; W55-L88 HydrophobicContact CD2-CG 4.34Å; W55-L88 HydrophobicContact CE3-CB 4.17Å; W55-L88 HydrophobicContact CE3-CD2 3.86Å; W55-L88 HydrophobicContact CG-CB 4.01Å; W55-L88 HydrophobicContact CG-CD1 4.11Å; W55-L88 HydrophobicContact CG-CD2 4.36Å; W55-L88 HydrophobicContact CG-CG 4.4Å; W55-L88 HydrophobicContact CH2-CB 4.39Å; W55-L88 HydrophobicContact CZ2-CB 3.98Å; W55-L88 HydrophobicContact CZ3-CB 4.49Å; W55-L88 HydrophobicContact CZ3-CD2 4.36Å; F57-L88 HydrophobicContact CD1-CD1 3.81Å; F57-L88 HydrophobicContact CD1-CD2 4.15Å; F57-L88 HydrophobicContact CE1-CD1 3.78Å; I67-L88 HydrophobicContact CG2-CD1 3.64Å; I67-L88 HydrophobicContact CG2-CD2 4.23Å; I67-L88 HydrophobicContact CG2-CG 4.04Å; E69-L88 HydrophobicContact CB-CD1 4.32Å; E69-L88 HydrophobicContact CG-CD1 4.42Å; L88-I90 HydrophobicContact CD2-CD1 4.33Å; L88-I90 HydrophobicContact CD2-CG1 4.43Å; L88-I90 HydrophobicContact CG-CG1 4.37Å; L88-Y102 HydrophobicContact CD2-CD1 3.73Å; L88-Y102 HydrophobicContact CD2-CE1 4.44Å; L88-Y102 HydrophobicContact CD2-CG 4.41Å |
| 89 | R | 94.7 | Very high | 90.4 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.2 | 176.2 | -175.6 | 171.8 | 69.9 | -100.6 | -4.2 | 109.1 | V39 R40 H68 E70 E91 | V39-R89 WeakPolarHBondContact O-CA 2.99Å; R40-R89 HydrophobicContact CG-CB 4.47Å; R40-R89 HydrophobicContact CG-CG 4.23Å; H68-R89 HydrophobicContact CB-CB 4.46Å; H68-R89 PolarHBondContact N-O 2.86Å; H68-R89 PolarHBondContact O-N 2.83Å; E70-R89 HydrophobicContact CG-CB 4.45Å; E70-R89 IonicContact OE1-CZ 2.74Å; E70-R89 IonicContact OE1-NH1 3.97Å; E70-R89 PolarHBondContact OE1-NH1 2.74Å; R89-E91 HydrophobicContact CG-CG 4.13Å; R89-E91 IonicContact CZ-OE1 3.13Å; R89-E91 IonicContact NE-OE1 3.64Å; R89-E91 PolarHBondContact NE-OE1 3.48Å; R89-E91 IonicContact NH2-OE1 3.79Å |
| 90 | I | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.3 | 176.5 | -55 | 166.1 | 0 | 0 | 0 | 106.3 | N38 V39 L41 I67 L88 I93 Y102 L119 | N38-I90 CarbonylContact C-O 3.6Å; N38-I90 VanDerWaalsContact CA-O 3.29Å; N38-I90 WeakPolarHBondContact CA-O 3.27Å; V39-I90 HydrophobicContact CG1-CB 3.86Å; V39-I90 HydrophobicContact CG1-CD1 4.23Å; V39-I90 HydrophobicContact CG1-CG1 4.44Å; V39-I90 PolarHBondContact N-O 2.98Å; V39-I90 PolarHBondContact O-N 3.13Å; L41-I90 HydrophobicContact CD1-CD1 4.01Å; I67-I90 HydrophobicContact CG1-CG1 4.31Å; I67-I90 HydrophobicContact CG1-CG2 4.3Å; I67-I90 HydrophobicContact CG2-CG1 4.41Å; L88-I90 HydrophobicContact CD2-CD1 4.33Å; L88-I90 HydrophobicContact CD2-CG1 4.43Å; L88-I90 HydrophobicContact CG-CG1 4.37Å; I90-I93 HydrophobicContact CG2-CG1 4.17Å; I90-Y102 HydrophobicContact CD1-CD1 4.03Å; I90-Y102 HydrophobicContact CD1-CD2 4.42Å; I90-Y102 HydrophobicContact CD1-CE1 3.63Å; I90-Y102 HydrophobicContact CD1-CE2 4.05Å; I90-Y102 HydrophobicContact CD1-CG 4.4Å; I90-L119 HydrophobicContact CD1-CD1 3.88Å |
| 91 | E | 93.4 | Very high | 91.6 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | trans | -93.5 | 152.4 | -178.5 | -58.7 | -172.9 | 179.4 | 0 | 0 | 110.5 | N38 N66 H68 R89 I93 | N38-E91 WeakPolarHBondContact OD1-CA 3.33Å; N66-E91 WeakPolarHBondContact CB-O 3.32Å; N66-E91 PolarHBondContact O-N 2.71Å; H68-E91 IonicContact ND1-OE1 2.89Å; R89-E91 HydrophobicContact CG-CG 4.13Å; R89-E91 IonicContact CZ-OE1 3.13Å; R89-E91 IonicContact NE-OE1 3.64Å; R89-E91 PolarHBondContact NE-OE1 3.48Å; R89-E91 IonicContact NH2-OE1 3.79Å; E91-I93 PolarHBondContact O-N 2.92Å | ||
| 92 | N | 91.8 | Very high | 92.1 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 44.1 | 60.8 | 175.2 | -169.6 | 25.4 | 0 | 0 | 0 | 114 | G36 N38 G94 | G36-N92 WeakPolarHBondContact CA-OD1 3.46Å; N38-N92 PolarHBondContact OD1-N 2.92Å; N92-G94 PolarHBondContact O-N 3.45Å; N92-G94 VanDerWaalsContact O-N 3.13Å |
| 93 | I | 91.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | trans | -56.7 | 118.9 | -173.5 | -64.7 | 161.6 | 0 | 0 | 0 | 110.9 | V33 L35 G36 K37 V39 I90 E91 N97 L98 | V33-I93 HydrophobicContact CB-CD1 3.73Å; V33-I93 HydrophobicContact CG1-CD1 3.9Å; V33-I93 HydrophobicContact CG2-CD1 4.17Å; V33-I93 HydrophobicContact CG2-CG2 4.04Å; L35-I93 WeakPolarHBondContact CA-O 3.38Å; L35-I93 HydrophobicContact CD2-CG2 4.36Å; G36-I93 PolarHBondContact N-O 2.88Å; K37-I93 WeakPolarHBondContact O-CB 3.44Å; K37-I93 VanDerWaalsContact O-CD1 3.25Å; K37-I93 WeakPolarHBondContact O-CD1 3.49Å; K37-I93 WeakPolarHBondContact O-CG1 3.49Å; K37-I93 PolarHBondContact O-N 3.46Å; V39-I93 HydrophobicContact CB-CD1 3.67Å; V39-I93 HydrophobicContact CG1-CD1 3.49Å; V39-I93 VanDerWaalsContact CG1-CD1 3.49Å; V39-I93 HydrophobicContact CG1-CG1 4.15Å; I90-I93 HydrophobicContact CG2-CG1 4.17Å; E91-I93 PolarHBondContact O-N 2.92Å; I93-N97 HydrophobicContact CG2-CB 4.27Å; I93-L98 HydrophobicContact CG2-CD2 4.35Å | ||
| 94 | G | 89.6 | Confident | 92.3 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | trans | -98 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N92 S96 N97 | N92-G94 PolarHBondContact O-N 3.45Å; N92-G94 VanDerWaalsContact O-N 3.13Å; G94-S96 PolarHBondContact O-N 2.9Å; G94-N97 PolarHBondContact N-OD1 2.84Å; G94-N97 PolarHBondContact O-N 2.94Å | ||
| 95 | E | 89.1 | Confident | 92.4 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -65.5 | -28.5 | 173.9 | -64.4 | -165.7 | 154.9 | 0 | 0 | 112.4 | L35 N97 L98 R121 | L35-E95 HydrophobicContact CD1-CG 4.16Å; L35-E95 HydrophobicContact CD2-CG 4.35Å; E95-N97 PolarHBondContact O-N 2.82Å; E95-L98 PolarHBondContact O-N 2.89Å; E95-R121 IonicContact OE1-NH2 2.81Å; E95-R121 PolarHBondContact OE1-NH2 3.24Å |
| 96 | S | 86.6 | Confident | 92.4 | Very high | 92 Ų | 92 | 42 Ų | 42 | 64% | 0.643 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -64.2 | -21.4 | 175.5 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | G94 V100 | G94-S96 PolarHBondContact O-N 2.9Å; S96-V100 VanDerWaalsContact O-CG2 3.26Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å |
| 97 | N | 87.6 | Confident | 92.3 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -90.8 | -11.3 | 179.1 | -52.7 | 116.5 | 0 | 0 | 0 | 112.3 | D64 I93 G94 E95 Y102 L119 | D64-N97 PolarHBondContact OD2-ND2 2.8Å; I93-N97 HydrophobicContact CG2-CB 4.27Å; G94-N97 PolarHBondContact N-OD1 2.84Å; G94-N97 PolarHBondContact O-N 2.94Å; E95-N97 PolarHBondContact O-N 2.82Å; N97-Y102 WeakPolarHBondContact CB-OH 3.29Å; N97-L119 HydrophobicContact CB-CD1 4.38Å |
| 98 | L | 90.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 147.8 | 179.5 | -62.6 | -179 | 0 | 0 | 0 | 111.3 | V33 L35 I93 E95 V100 L119 R121 | V33-L98 HydrophobicContact CG2-CD2 3.57Å; L35-L98 HydrophobicContact CD2-CD1 3.95Å; L35-L98 HydrophobicContact CD2-CG 4.41Å; I93-L98 HydrophobicContact CG2-CD2 4.35Å; E95-L98 PolarHBondContact O-N 2.89Å; L98-V100 PolarHBondContact O-N 2.81Å; L98-L119 HydrophobicContact CD2-CB 4.15Å; L98-R121 HydrophobicContact CD1-CB 4.22Å |
| 99 | N | 89.6 | Confident | 91.6 | Very high | 130 Ų | 130 | 48.7 Ų | 48.7 | 70% | 0.695 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 19 | -178 | -66.3 | -0.4 | 0 | 0 | 0 | 114.5 | L119 | N99-L119 PolarHBondContact N-O 2.76Š|
| 100 | V | 89.7 | Confident | 91 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | trans | -92.7 | 144.7 | 172 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | S96 L98 Y102 | S96-V100 VanDerWaalsContact O-CG2 3.26Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å; L98-V100 PolarHBondContact O-N 2.81Å; V100-Y102 HydrophobicContact CB-CE2 4.01Å; V100-Y102 HydrophobicContact CG1-CE2 4.22Å | ||
| 101 | L | 91.9 | Very high | 90.8 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 114.8 | 175.4 | -76.6 | 161 | 0 | 0 | 0 | 110.5 | L28 I118 | L28-L101 HydrophobicContact CD1-CD2 4.46Å; L101-I118 HydrophobicContact CD2-CD1 3.9Å; L101-I118 HydrophobicContact CD2-CG1 3.68Å; L101-I118 HydrophobicContact CG-CG1 4.42Å |
| 102 | Y | 93.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 109.4 | 169.4 | -63.1 | -85.1 | 0 | 0 | 0 | 108.6 | L41 F57 I67 L88 I90 N97 V100 S116 F117 L119 | L41-Y102 HydrophobicContact CD1-CD2 4.43Å; L41-Y102 HydrophobicContact CD1-CG 4.2Å; F57-Y102 HydrophobicContact CB-CD1 3.82Å; F57-Y102 HydrophobicContact CB-CE1 4.07Å; I67-Y102 HydrophobicContact CD1-CE1 3.97Å; L88-Y102 HydrophobicContact CD2-CD1 3.73Å; L88-Y102 HydrophobicContact CD2-CE1 4.44Å; L88-Y102 HydrophobicContact CD2-CG 4.41Å; I90-Y102 HydrophobicContact CD1-CD1 4.03Å; I90-Y102 HydrophobicContact CD1-CD2 4.42Å; I90-Y102 HydrophobicContact CD1-CE1 3.63Å; I90-Y102 HydrophobicContact CD1-CE2 4.05Å; I90-Y102 HydrophobicContact CD1-CG 4.4Å; N97-Y102 WeakPolarHBondContact CB-OH 3.29Å; V100-Y102 HydrophobicContact CB-CE2 4.01Å; V100-Y102 HydrophobicContact CG1-CE2 4.22Å; Y102-S116 CarbonylContact O-C 3.57Å; Y102-S116 WeakPolarHBondContact O-CA 3.13Å; Y102-F117 PolarHBondContact N-O 3.09Å; Y102-F117 PolarHBondContact O-N 2.76Å; Y102-L119 HydrophobicContact CD2-CD1 4.49Å; Y102-L119 HydrophobicContact CD2-CG 4.16Å; Y102-L119 HydrophobicContact CE2-CD1 3.76Å; Y102-L119 HydrophobicContact CE2-CG 3.81Å |
| 103 | N | 95 | Very high | 91 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.3 | -174.1 | -66.1 | -31.7 | 0 | 0 | 0 | 110 | W55 M56 T114 K115 S116 | W55-N103 CarbonylContact C-O 3.59Å; W55-N103 WeakPolarHBondContact CA-O 3.37Å; M56-N103 HydrophobicContact CB-CB 4.21Å; M56-N103 HydrophobicContact CE-CB 3.84Å; M56-N103 PolarHBondContact N-O 2.98Å; M56-N103 PolarHBondContact O-N 3.34Å; N103-T114 HydrophobicContact CB-CG2 4.06Å; N103-K115 CarbonylContact C-O 3.52Å; N103-K115 WeakPolarHBondContact CA-O 3.49Å; N103-S116 WeakPolarHBondContact OD1-CB 3.49Å; N103-S116 PolarHBondContact OD1-OG 2.74Å |
| 104 | C | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.5 | 165 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | L23 C43 W55 T114 K115 F117 | L23-C104 VanDerWaalsContact CD1-O 3.27Å; L23-C104 WeakPolarHBondContact CD1-O 3.35Å; C43-C104 HydrophobicContact CB-CB 3.61Å; C43-C104 WeakPolarHBondContact CB-SG 3.34Å; C43-C104 WeakPolarHBondContact SG-CB 3.5Å; C43-C104 CovalentContact SG-SG 2.02Å; C43-C104 PolarHBondContact SG-SG 3.13Å; W55-C104 HydrophobicContact CD2-CB 4.1Å; W55-C104 HydrophobicContact CE3-CB 3.89Å; W55-C104 HydrophobicContact CH2-CB 3.97Å; W55-C104 HydrophobicContact CZ2-CB 4.17Å; W55-C104 HydrophobicContact CZ3-CB 3.82Å; C104-T114 CarbonylContact O-C 3.57Å; C104-T114 WeakPolarHBondContact O-CA 3.46Å; C104-K115 PolarHBondContact N-O 3.47Å; C104-K115 PolarHBondContact O-N 3.09Å; C104-F117 HydrophobicContact CB-CE2 4.39Å |
| 105 | T | 95.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.5 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | I53 Y54 M56 D113 T114 | I53-T105 WeakPolarHBondContact CA-O 3.48Å; Y54-T105 HydrophobicContact CE1-CG2 4.19Å; Y54-T105 PolarHBondContact N-O 3.39Å; Y54-T105 PolarHBondContact O-N 3Å; M56-T105 VanDerWaalsContact CE-OG1 3.32Å; M56-T105 WeakPolarHBondContact CE-OG1 3.48Å; T105-D113 WeakPolarHBondContact CA-O 3.32Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.2Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.15Å; T105-T114 PolarHBondContact OG1-OG1 2.92Å |
| 106 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.9 | 164 | 64 | 0 | 0 | 0 | 0 | 108.5 | P21 L23 A45 L47 V52 T112 D113 | P21-V106 HydrophobicContact CB-CB 4.41Å; P21-V106 HydrophobicContact CB-CG1 3.83Å; P21-V106 HydrophobicContact CB-CG2 3.67Å; P21-V106 HydrophobicContact CG-CG1 4.2Å; P21-V106 HydrophobicContact CG-CG2 4.33Å; L23-V106 HydrophobicContact CD2-CB 3.97Å; L23-V106 HydrophobicContact CD2-CG1 3.8Å; L23-V106 HydrophobicContact CG-CG1 3.85Å; A45-V106 HydrophobicContact CB-CB 4.44Å; A45-V106 HydrophobicContact CB-CG2 4.43Å; L47-V106 HydrophobicContact CB-CG2 4.07Å; L47-V106 HydrophobicContact CD2-CG2 3.64Å; V52-V106 WeakPolarHBondContact O-CA 3.46Å; V106-T112 VanDerWaalsContact O-CA 3.32Å; V106-T112 WeakPolarHBondContact O-CA 3.26Å; V106-D113 HydrophobicContact CG1-CB 3.69Å; V106-D113 PolarHBondContact N-O 3.24Å; V106-D113 PolarHBondContact O-N 3.27Å |
| 107 | A | 93.6 | Very high | 92.2 | Very high | 29 Ų | 29 | 41 Ų | 41 | 24% | 0.24 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V52 Y54 T112 | V52-A107 PolarHBondContact N-O 2.9Å; V52-A107 PolarHBondContact O-N 2.94Å; Y54-A107 HydrophobicContact CE1-CB 4.1Å; A107-T112 HydrophobicContact CB-CG2 4.14Å |
| 108 | S | 90.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 42 Ų | 42 | 16% | 0.161 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 166 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | D51 G110 G111 | D51-S108 VanDerWaalsContact CG-OG 3.24Å; D51-S108 WeakPolarHBondContact OD1-CB 3.24Å; D51-S108 PolarHBondContact OD1-OG 2.78Å; D51-S108 WeakPolarHBondContact OD2-CB 3.46Å; D51-S108 PolarHBondContact OD2-OG 3.15Å; S108-G110 PolarHBondContact O-N 3.25Å; S108-G110 PolarHBondContact OG-N 3.05Å; S108-G111 PolarHBondContact N-O 3.18Å; S108-G111 PolarHBondContact O-N 3.05Å |
| 109 | T | 85.9 | Confident | 92.6 | Very high | 132 Ų | 132 | 40.8 Ų | 40.8 | 81% | 0.81 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.5 | 169.3 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 110 | G | 82.1 | Confident | 92.8 | Very high | 54 Ų | 54 | 36.5 Ų | 36.5 | 56% | 0.557 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -8.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | S108 | S108-G110 PolarHBondContact O-N 3.25Å; S108-G110 PolarHBondContact OG-N 3.05Å |
| 111 | G | 88.8 | Confident | 92.8 | Very high | 26 Ų | 26 | 40 Ų | 40 | 27% | 0.268 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S108 | S108-G111 PolarHBondContact N-O 3.18Å; S108-G111 PolarHBondContact O-N 3.05Å |
| 112 | T | 94.1 | Very high | 92.5 | Very high | 101 Ų | 101 | 40.3 Ų | 40.3 | 62% | 0.62 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.9 | 177.2 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | V106 A107 | V106-T112 VanDerWaalsContact O-CA 3.32Å; V106-T112 WeakPolarHBondContact O-CA 3.26Å; A107-T112 HydrophobicContact CB-CG2 4.14Å |
| 113 | D | 94.7 | Very high | 91.5 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131 | 174.1 | -158.2 | 48.5 | 0 | 0 | 0 | 110.2 | L23 K27 T105 V106 | L23-D113 WeakPolarHBondContact CB-OD2 3.26Å; L23-D113 VanDerWaalsContact CD1-O 3.25Å; L23-D113 WeakPolarHBondContact CD1-O 3.38Å; L23-D113 HydrophobicContact CG-CB 4.3Å; L23-D113 PolarHBondContact N-OD2 3.36Å; L23-D113 VanDerWaalsContact N-OD2 3.14Å; K27-D113 IonicContact NZ-OD1 3.98Å; K27-D113 PolarHBondContact NZ-OD1 3.06Å; K27-D113 IonicContact NZ-OD2 3.91Å; K27-D113 PolarHBondContact NZ-OD2 2.88Å; T105-D113 WeakPolarHBondContact CA-O 3.32Å; V106-D113 HydrophobicContact CG1-CB 3.69Å; V106-D113 PolarHBondContact N-O 3.24Å; V106-D113 PolarHBondContact O-N 3.27Å |
| 114 | T | 95.8 | Very high | 89.6 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.8 | -177.2 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | K27 N103 C104 T105 | K27-T114 WeakPolarHBondContact CD-O 3.49Å; K27-T114 PolarHBondContact NZ-O 3.4Å; N103-T114 HydrophobicContact CB-CG2 4.06Å; C104-T114 CarbonylContact O-C 3.57Å; C104-T114 WeakPolarHBondContact O-CA 3.46Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.2Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.15Å; T105-T114 PolarHBondContact OG1-OG1 2.92Å |
| 115 | K | 95.3 | Very high | 87.4 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 132.8 | 177.3 | 179.4 | 178.6 | 179.1 | -178.5 | 0 | 109.1 | L23 L24 P26 K27 N29 N103 C104 F117 | L23-K115 HydrophobicContact CB-CB 4.31Å; L23-K115 HydrophobicContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-N 3.33Å; L23-K115 HydrophobicContact CG-CB 4.48Å; L24-K115 PolarHBondContact O-NZ 2.79Å; P26-K115 WeakPolarHBondContact O-CE 3.45Å; P26-K115 WeakPolarHBondContact O-CG 3.46Å; K27-K115 WeakPolarHBondContact O-CA 3.42Å; N29-K115 WeakPolarHBondContact ND2-CE 3.45Å; N103-K115 CarbonylContact C-O 3.52Å; N103-K115 WeakPolarHBondContact CA-O 3.49Å; C104-K115 PolarHBondContact N-O 3.47Å; C104-K115 PolarHBondContact O-N 3.09Å; K115-F117 HydrophobicContact CD-CE2 3.92Å; K115-F117 HydrophobicContact CD-CZ 3.95Å; K115-F117 VanDerWaalsContact CE-CZ 3.48Å; K115-F117 HydrophobicContact CG-CE2 3.9Å; K115-F117 HydrophobicContact CG-CZ 4.34Å |
| 116 | S | 95.6 | Very high | 85.1 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 144 | -177 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | K27 L28 N29 Y102 N103 | K27-S116 PolarHBondContact O-N 3.02Å; L28-S116 CarbonylContact C-O 3.55Å; L28-S116 WeakPolarHBondContact CA-O 3.33Å; N29-S116 PolarHBondContact N-O 2.8Å; Y102-S116 CarbonylContact O-C 3.57Å; Y102-S116 WeakPolarHBondContact O-CA 3.13Å; N103-S116 WeakPolarHBondContact OD1-CB 3.49Å; N103-S116 PolarHBondContact OD1-OG 2.74Å |
| 117 | F | 95.3 | Very high | 83.2 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 4% | 0.044 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.3 | 173.5 | -64.7 | -101.8 | 0 | 0 | 0 | 108.8 | N29 V31 L41 W55 Y102 C104 K115 | N29-F117 HydrophobicContact CB-CD1 3.6Å; N29-F117 HydrophobicContact CB-CE1 3.9Å; N29-F117 HydrophobicContact CB-CG 4.28Å; N29-F117 CarbonylContact O-C 3.57Å; N29-F117 WeakPolarHBondContact O-CA 3.34Å; V31-F117 HydrophobicContact CG2-CD1 4.14Å; L41-F117 HydrophobicContact CD1-CB 4Å; L41-F117 HydrophobicContact CD1-CG 4.38Å; L41-F117 HydrophobicContact CD2-CD1 4.13Å; W55-F117 AromaticContact CH2-CD2 3.56Å; W55-F117 HydrophobicContact CH2-CD2 3.56Å; W55-F117 AromaticContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CE2 3.44Å; W55-F117 VanDerWaalsContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CG 4.31Å; W55-F117 HydrophobicContact CH2-CZ 4.1Å; W55-F117 HydrophobicContact CZ2-CE2 4.47Å; W55-F117 AromaticContact CZ3-CD2 3.6Å; W55-F117 HydrophobicContact CZ3-CD2 3.6Å; W55-F117 AromaticContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CG 4.41Å; Y102-F117 PolarHBondContact N-O 3.09Å; Y102-F117 PolarHBondContact O-N 2.76Å; C104-F117 HydrophobicContact CB-CE2 4.39Å; K115-F117 HydrophobicContact CD-CE2 3.92Å; K115-F117 HydrophobicContact CD-CZ 3.95Å; K115-F117 VanDerWaalsContact CE-CZ 3.48Å; K115-F117 HydrophobicContact CG-CE2 3.9Å; K115-F117 HydrophobicContact CG-CZ 4.34Å |
| 118 | I | 94.1 | Very high | 81.4 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123 | 174.7 | -60.3 | 178.4 | 0 | 0 | 0 | 107.7 | L28 N29 H30 V31 L101 V120 | L28-I118 HydrophobicContact CD1-CD1 3.79Å; L28-I118 HydrophobicContact CD1-CG1 4.01Å; N29-I118 PolarHBondContact O-N 3.35Å; H30-I118 WeakPolarHBondContact CA-O 3.49Å; V31-I118 PolarHBondContact N-O 3.08Å; L101-I118 HydrophobicContact CD2-CD1 3.9Å; L101-I118 HydrophobicContact CD2-CG1 3.68Å; L101-I118 HydrophobicContact CG-CG1 4.42Å; I118-V120 HydrophobicContact CG2-CG1 4.13Å |
| 119 | L | 93.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.2 | 171.8 | -59 | -173.5 | 0 | 0 | 0 | 109 | V31 V33 V39 L41 I90 N97 L98 N99 Y102 | V31-L119 HydrophobicContact CB-CD2 4.02Å; V31-L119 HydrophobicContact CG1-CD2 4.37Å; V31-L119 WeakPolarHBondContact O-CA 3.41Å; V33-L119 HydrophobicContact CG1-CD2 3.96Å; V33-L119 HydrophobicContact CG2-CB 3.98Å; V39-L119 HydrophobicContact CG1-CD1 4.22Å; V39-L119 HydrophobicContact CG1-CD2 4.23Å; L41-L119 HydrophobicContact CD1-CD2 4.37Å; L41-L119 HydrophobicContact CD2-CD2 4.04Å; I90-L119 HydrophobicContact CD1-CD1 3.88Å; N97-L119 HydrophobicContact CB-CD1 4.38Å; L98-L119 HydrophobicContact CD2-CB 4.15Å; N99-L119 PolarHBondContact N-O 2.76Å; Y102-L119 HydrophobicContact CD2-CD1 4.49Å; Y102-L119 HydrophobicContact CD2-CG 4.16Å; Y102-L119 HydrophobicContact CE2-CD1 3.76Å; Y102-L119 HydrophobicContact CE2-CG 3.81Å |
| 120 | V | 92.6 | Very high | 78.5 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 24% | 0.242 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 145 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 109.2 | H30 V31 A32 V33 I118 K122 | H30-V120 HydrophobicContact CB-CG2 4.45Å; V31-V120 PolarHBondContact O-N 3.12Å; A32-V120 CarbonylContact C-O 3.57Å; A32-V120 WeakPolarHBondContact CA-O 3.43Å; A32-V120 HydrophobicContact CB-CG2 4.36Å; V33-V120 WeakPolarHBondContact CG2-O 3.13Å; V33-V120 PolarHBondContact N-O 3.04Å; I118-V120 HydrophobicContact CG2-CG1 4.13Å; V120-K122 PolarHBondContact O-N 3.29Å |
| 121 | R | 90.3 | Very high | 77.5 | Confident | 125 Ų | 125 | 70.4 Ų | 70.4 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 128.4 | 174.1 | -176 | 175.1 | -69.3 | -170.1 | -0.5 | 108.2 | E95 L98 D123 | E95-R121 IonicContact OE1-NH2 2.81Å; E95-R121 PolarHBondContact OE1-NH2 3.24Å; L98-R121 HydrophobicContact CD1-CB 4.22Å; R121-D123 PolarHBondContact O-N 3.01Å; R121-D123 VanDerWaalsContact O-N 3.12Å |
| 122 | K | 86.4 | Confident | 76.1 | Confident | 98 Ų | 98 | 76 Ų | 76 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | trans | -69.4 | 108.2 | 168.5 | -173.8 | 177.2 | 173.6 | -168 | 0 | 106.8 | A32 V33 E34 V120 M124 | A32-K122 HydrophobicContact CB-CB 4Å; A32-K122 HydrophobicContact CB-CG 4.18Å; V33-K122 WeakPolarHBondContact O-CB 3.49Å; V33-K122 PolarHBondContact O-N 2.82Å; E34-K122 HydrophobicContact CG-CB 4.12Å; E34-K122 HydrophobicContact CG-CD 3.92Å; E34-K122 WeakPolarHBondContact OE1-CD 3.25Å; E34-K122 IonicContact OE1-NZ 3.55Å; E34-K122 PolarHBondContact OE1-NZ 3.1Å; V120-K122 PolarHBondContact O-N 3.29Å; K122-M124 PolarHBondContact O-N 2.85Å; K122-M124 VanDerWaalsContact O-N 3.08Å | ||
| 123 | D | 71.6 | Confident | 74.7 | Confident | 119 Ų | 119 | 75.1 Ų | 75.1 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | trans | -56.4 | 120 | 174 | -64.1 | -36.4 | 0 | 0 | 0 | 107.8 | R121 A125 | R121-D123 PolarHBondContact O-N 3.01Å; R121-D123 VanDerWaalsContact O-N 3.12Å; D123-A125 PolarHBondContact O-N 3.13Å | ||
| 124 | M | 55.6 | Low | 73.5 | Confident | 146 Ų | 146 | 81.1 Ų | 81.1 | 72% | 0.719 | 43% | 0.43 | S | S | * | . | trans | -69.1 | 79.1 | 179.4 | -70.6 | -74.9 | -171 | 0 | 0 | 107.7 | E34 K122 D126 | E34-M124 HydrophobicContact CG-CE 4.37Å; K122-M124 PolarHBondContact O-N 2.85Å; K122-M124 VanDerWaalsContact O-N 3.08Å; M124-D126 VanDerWaalsContact C-N 3.3Å; M124-D126 PolarHBondContact O-N 2.65Å; M124-D126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | A | 49.2 | Very low | 72.5 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | trans | 33.8 | 65.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D123 I127 | D123-A125 PolarHBondContact O-N 3.13Å; A125-I127 PolarHBondContact O-N 3.33Å | ||
| 126 | D | 45.5 | Very low | 71.8 | Confident | 134 Ų | 134 | 85 Ų | 85 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | trans | -58.5 | 102.2 | 163.5 | -110.5 | -5.2 | 0 | 0 | 0 | 104.7 | M124 P128 | M124-D126 VanDerWaalsContact C-N 3.3Å; M124-D126 PolarHBondContact O-N 2.65Å; M124-D126 VanDerWaalsContact O-N 3.09Å; D126-P128 WeakPolarHBondContact O-CD 3.29Å | ||
| 127 | I | 55.7 | Low | 71.2 | Confident | 116 Ų | 116 | 88.4 Ų | 88.4 | 60% | 0.595 | 47% | 0.472 | S | S | * | . | trans | -45 | 109.6 | 169.1 | -65.2 | 166.3 | 0 | 0 | 0 | 103.6 | A125 G129 V131 | A125-I127 PolarHBondContact O-N 3.33Å; I127-G129 PolarHBondContact O-N 3.03Å; I127-V131 HydrophobicContact CG2-CB 3.99Å; I127-V131 HydrophobicContact CG2-CG1 4.29Å | ||
| 128 | P | 55.6 | Low | 70.7 | Confident | 77 Ų | 77 | 91.8 Ų | 91.8 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | trans | -57.4 | 127.3 | -168 | 11.6 | -21.2 | 0 | 0 | 0 | 106.3 | D126 H130 V131 | D126-P128 WeakPolarHBondContact O-CD 3.29Å; P128-H130 CarbonylContact O-C 3.57Å; P128-H130 PolarHBondContact O-N 3.47Å; P128-V131 HydrophobicContact CG-CG2 3.97Å; P128-V131 PolarHBondContact O-N 3.05Å | ||
| 129 | G | 57.3 | Low | 70.3 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -48.5 | -26 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I127 V131 F132 T133 | I127-G129 PolarHBondContact O-N 3.03Å; G129-V131 VanDerWaalsContact C-N 3.28Å; G129-V131 PolarHBondContact O-N 3.31Å; G129-F132 PolarHBondContact O-N 2.88Å; G129-F132 VanDerWaalsContact O-N 3.15Å; G129-T133 PolarHBondContact O-N 3.26Å; G129-T133 PolarHBondContact O-OG1 3.41Å |
| 130 | H | 60.7 | Low | 70.1 | Confident | 119 Ų | 119 | 96.7 Ų | 96.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -51.1 | -37 | 169.5 | 117.4 | -91.3 | 0 | 0 | 0 | 114.8 | P128 R134 | P128-H130 CarbonylContact O-C 3.57Å; P128-H130 PolarHBondContact O-N 3.47Å; H130-R134 WeakPolarHBondContact O-CB 3.36Å; H130-R134 PolarHBondContact O-N 2.99Å |
| 131 | V | 60.6 | Low | 69.9 | Low | 69 Ų | 69 | 100 Ų | 100 | 42% | 0.418 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74 | -40.2 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | I127 P128 G129 G135 | I127-V131 HydrophobicContact CG2-CB 3.99Å; I127-V131 HydrophobicContact CG2-CG1 4.29Å; P128-V131 HydrophobicContact CG-CG2 3.97Å; P128-V131 PolarHBondContact O-N 3.05Å; G129-V131 VanDerWaalsContact C-N 3.28Å; G129-V131 PolarHBondContact O-N 3.31Å; V131-G135 PolarHBondContact O-N 2.72Å |
| 132 | F | 59.7 | Low | 69.9 | Low | 142 Ų | 142 | 99 Ų | 99 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.4 | -42 | 178.7 | -156.1 | -93.7 | 0 | 0 | 0 | 111.3 | G129 G135 M136 | G129-F132 PolarHBondContact O-N 2.88Å; G129-F132 VanDerWaalsContact O-N 3.15Å; F132-G135 PolarHBondContact O-N 3.29Å; F132-M136 HydrophobicContact CD1-CG 4.13Å; F132-M136 HydrophobicContact CE1-CG 4.06Å; F132-M136 HydrophobicContact CE1-SD 4.45Å; F132-M136 VanDerWaalsContact O-CG 3.29Å; F132-M136 WeakPolarHBondContact O-CG 3.43Å; F132-M136 PolarHBondContact O-N 2.99Å |
| 133 | T | 63.3 | Low | 70.1 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -42.2 | 174.6 | -46.6 | 0 | 0 | 0 | 0 | 111.6 | G129 M136 I137 | G129-T133 PolarHBondContact O-N 3.26Å; G129-T133 PolarHBondContact O-OG1 3.41Å; T133-M136 PolarHBondContact O-N 3.19Å; T133-I137 HydrophobicContact CG2-CD1 4.03Å; T133-I137 WeakPolarHBondContact O-CD1 3.36Å; T133-I137 VanDerWaalsContact O-CG1 3.24Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 2.99Å |
| 134 | R | 70.3 | Confident | 71 | Confident | 164 Ų | 164 | 98 Ų | 98 | 62% | 0.619 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 176.6 | -172.5 | 176.4 | -179.1 | -172.1 | -0.2 | 112 | H130 I137 I138 | H130-R134 WeakPolarHBondContact O-CB 3.36Å; H130-R134 PolarHBondContact O-N 2.99Å; R134-I137 PolarHBondContact O-N 3.4Å; R134-I138 HydrophobicContact CG-CD1 4.06Å; R134-I138 WeakPolarHBondContact O-CD1 3.37Å; R134-I138 VanDerWaalsContact O-CG1 3.26Å; R134-I138 WeakPolarHBondContact O-CG1 3.36Å; R134-I138 PolarHBondContact O-N 3.38Å; R134-I138 VanDerWaalsContact O-N 3.09Å |
| 135 | G | 74.8 | Confident | 72.7 | Confident | 39 Ų | 39 | 93.4 Ų | 93.4 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V131 F132 I138 A139 | V131-G135 PolarHBondContact O-N 2.72Å; F132-G135 PolarHBondContact O-N 3.29Å; G135-I138 PolarHBondContact O-N 3.3Å; G135-A139 PolarHBondContact O-N 3.31Å |
| 136 | M | 80 | Confident | 74.7 | Confident | 113 Ų | 113 | 92.9 Ų | 92.9 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 177.5 | -71.1 | -67.7 | -83.1 | 0 | 0 | 112.4 | F132 T133 A139 V140 | F132-M136 HydrophobicContact CD1-CG 4.13Å; F132-M136 HydrophobicContact CE1-CG 4.06Å; F132-M136 HydrophobicContact CE1-SD 4.45Å; F132-M136 VanDerWaalsContact O-CG 3.29Å; F132-M136 WeakPolarHBondContact O-CG 3.43Å; F132-M136 PolarHBondContact O-N 2.99Å; T133-M136 PolarHBondContact O-N 3.19Å; M136-A139 PolarHBondContact O-N 3.41Å; M136-V140 WeakPolarHBondContact O-CG2 3.48Å; M136-V140 PolarHBondContact O-N 2.83Å |
| 137 | I | 82.5 | Confident | 76.8 | Confident | 96 Ų | 96 | 90.7 Ų | 90.7 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.1 | -68 | 164 | 0 | 0 | 0 | 110.9 | T133 R134 A139 V140 L141 | T133-I137 HydrophobicContact CG2-CD1 4.03Å; T133-I137 WeakPolarHBondContact O-CD1 3.36Å; T133-I137 VanDerWaalsContact O-CG1 3.24Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 2.99Å; R134-I137 PolarHBondContact O-N 3.4Å; I137-A139 PolarHBondContact O-N 3.4Å; I137-V140 PolarHBondContact O-N 2.83Å; I137-L141 HydrophobicContact CG2-CD1 3.99Å; I137-L141 HydrophobicContact CG2-CG 4.43Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.36Å |
| 138 | I | 84.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 88.2 Ų | 88.2 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 178.9 | -67.4 | 165.3 | 0 | 0 | 0 | 110.8 | R134 G135 V140 L141 I142 | R134-I138 HydrophobicContact CG-CD1 4.06Å; R134-I138 WeakPolarHBondContact O-CD1 3.37Å; R134-I138 VanDerWaalsContact O-CG1 3.26Å; R134-I138 WeakPolarHBondContact O-CG1 3.36Å; R134-I138 PolarHBondContact O-N 3.38Å; R134-I138 VanDerWaalsContact O-N 3.09Å; G135-I138 PolarHBondContact O-N 3.3Å; I138-V140 PolarHBondContact O-N 3.39Å; I138-L141 PolarHBondContact O-N 3.27Å; I138-I142 HydrophobicContact CG2-CD1 3.83Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 VanDerWaalsContact O-CG1 3.3Å; I138-I142 WeakPolarHBondContact O-CG1 3.47Å; I138-I142 PolarHBondContact O-N 3.45Å |
| 139 | A | 85.9 | Confident | 79.5 | Confident | 45 Ų | 45 | 90 Ų | 90 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G135 M136 I137 I142 L143 | G135-A139 PolarHBondContact O-N 3.31Å; M136-A139 PolarHBondContact O-N 3.41Å; I137-A139 PolarHBondContact O-N 3.4Å; A139-I142 PolarHBondContact O-N 2.94Å; A139-L143 PolarHBondContact O-N 2.87Å; A139-L143 VanDerWaalsContact O-N 3.08Å |
| 140 | V | 89.3 | Confident | 80.8 | Confident | 86 Ų | 86 | 91.7 Ų | 91.7 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | M136 I137 I138 I142 L143 V144 | M136-V140 WeakPolarHBondContact O-CG2 3.48Å; M136-V140 PolarHBondContact O-N 2.83Å; I137-V140 PolarHBondContact O-N 2.83Å; I138-V140 PolarHBondContact O-N 3.39Å; V140-I142 VanDerWaalsContact C-N 3.34Å; V140-I142 PolarHBondContact O-N 3.49Å; V140-L143 WeakPolarHBondContact O-CB 3.44Å; V140-L143 PolarHBondContact O-N 3.18Å; V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 WeakPolarHBondContact O-CG2 3.34Å; V140-V144 PolarHBondContact O-N 2.88Å |
| 141 | L | 88.6 | Confident | 81.7 | Confident | 110 Ų | 110 | 89.2 Ų | 89.2 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 177.1 | -72.7 | 171.6 | 0 | 0 | 0 | 112.3 | I137 I138 V144 A145 | I137-L141 HydrophobicContact CG2-CD1 3.99Å; I137-L141 HydrophobicContact CG2-CG 4.43Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.36Å; I138-L141 PolarHBondContact O-N 3.27Å; L141-V144 PolarHBondContact O-N 2.92Å; L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3Å |
| 142 | I | 90.1 | Very high | 82.6 | Confident | 103 Ų | 103 | 89.2 Ų | 89.2 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.7 | -67.3 | 165.9 | 0 | 0 | 0 | 110.5 | I138 A139 V140 V144 A145 V146 | I138-I142 HydrophobicContact CG2-CD1 3.83Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 VanDerWaalsContact O-CG1 3.3Å; I138-I142 WeakPolarHBondContact O-CG1 3.47Å; I138-I142 PolarHBondContact O-N 3.45Å; A139-I142 PolarHBondContact O-N 2.94Å; V140-I142 VanDerWaalsContact C-N 3.34Å; V140-I142 PolarHBondContact O-N 3.49Å; I142-V144 PolarHBondContact O-N 3.4Å; I142-A145 PolarHBondContact O-N 3.29Å; I142-V146 HydrophobicContact CG2-CG2 4.5Å; I142-V146 WeakPolarHBondContact O-CG2 3.38Å; I142-V146 PolarHBondContact O-N 3.44Å |
| 143 | L | 91.8 | Very high | 83.3 | Confident | 116 Ų | 116 | 85.4 Ų | 85.4 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.9 | -47.4 | 175.8 | -88 | 155.3 | 0 | 0 | 0 | 112 | A139 V140 A145 V146 V147 | A139-L143 PolarHBondContact O-N 2.87Å; A139-L143 VanDerWaalsContact O-N 3.08Å; V140-L143 WeakPolarHBondContact O-CB 3.44Å; V140-L143 PolarHBondContact O-N 3.18Å; L143-A145 VanDerWaalsContact C-N 3.32Å; L143-A145 PolarHBondContact O-N 2.99Å; L143-V146 PolarHBondContact O-N 3.46Å; L143-V147 WeakPolarHBondContact O-CG2 3.33Å; L143-V147 PolarHBondContact O-N 3.35Å |
| 144 | V | 90.9 | Very high | 83.9 | Confident | 82 Ų | 82 | 86 Ų | 86 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111 | V140 L141 I142 V146 V147 C148 | V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 WeakPolarHBondContact O-CG2 3.34Å; V140-V144 PolarHBondContact O-N 2.88Å; L141-V144 PolarHBondContact O-N 2.92Å; I142-V144 PolarHBondContact O-N 3.4Å; V144-V146 PolarHBondContact O-N 3.37Å; V144-V147 PolarHBondContact O-N 3.07Å; V144-C148 WeakPolarHBondContact O-CB 3.45Å; V144-C148 PolarHBondContact O-N 3.48Å; V144-C148 PolarHBondContact O-SG 3.36Å |
| 145 | A | 89.9 | Confident | 84 | Confident | 49 Ų | 49 | 84 Ų | 84 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L141 I142 L143 C148 L149 | L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3Å; I142-A145 PolarHBondContact O-N 3.29Å; L143-A145 VanDerWaalsContact C-N 3.32Å; L143-A145 PolarHBondContact O-N 2.99Å; A145-C148 PolarHBondContact O-N 2.97Å; A145-L149 WeakPolarHBondContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.29Å; A145-L149 PolarHBondContact O-N 3.28Å |
| 146 | V | 90.9 | Very high | 83.6 | Confident | 77 Ų | 77 | 87.8 Ų | 87.8 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | I142 L143 V144 C148 L149 V150 | I142-V146 HydrophobicContact CG2-CG2 4.5Å; I142-V146 WeakPolarHBondContact O-CG2 3.38Å; I142-V146 PolarHBondContact O-N 3.44Å; L143-V146 PolarHBondContact O-N 3.46Å; V144-V146 PolarHBondContact O-N 3.37Å; V146-C148 VanDerWaalsContact C-N 3.34Å; V146-C148 PolarHBondContact O-N 3.4Å; V146-L149 PolarHBondContact O-N 2.97Å; V146-V150 WeakPolarHBondContact O-CG2 3.4Å; V146-V150 PolarHBondContact O-N 3.13Å |
| 147 | V | 89.4 | Confident | 82.9 | Confident | 88 Ų | 88 | 91.3 Ų | 91.3 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L143 V144 L149 V150 T151 | L143-V147 WeakPolarHBondContact O-CG2 3.33Å; L143-V147 PolarHBondContact O-N 3.35Å; V144-V147 PolarHBondContact O-N 3.07Å; V147-L149 PolarHBondContact O-N 2.94Å; V147-V150 PolarHBondContact O-N 3.08Å; V147-T151 HydrophobicContact CG1-CG2 4.41Å; V147-T151 WeakPolarHBondContact O-CG2 3.16Å; V147-T151 PolarHBondContact O-N 3.36Å; V147-T151 PolarHBondContact O-OG1 2.91Å |
| 148 | C | 84.9 | Confident | 81.8 | Confident | 64 Ų | 64 | 91.6 Ų | 91.6 | 43% | 0.432 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 176.1 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | V144 A145 V146 V150 T151 V152 | V144-C148 WeakPolarHBondContact O-CB 3.45Å; V144-C148 PolarHBondContact O-N 3.48Å; V144-C148 PolarHBondContact O-SG 3.36Å; A145-C148 PolarHBondContact O-N 2.97Å; V146-C148 VanDerWaalsContact C-N 3.34Å; V146-C148 PolarHBondContact O-N 3.4Å; C148-V150 VanDerWaalsContact C-N 3.34Å; C148-V150 PolarHBondContact O-N 3.02Å; C148-T151 WeakPolarHBondContact CA-OG1 3.47Å; C148-T151 PolarHBondContact O-N 2.71Å; C148-T151 PolarHBondContact O-OG1 2.79Å; C148-V152 WeakPolarHBondContact O-CG2 3.37Å; C148-V152 PolarHBondContact O-N 2.76Å |
| 149 | L | 83.9 | Confident | 80.5 | Confident | 115 Ų | 115 | 91.8 Ų | 91.8 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 175.8 | -77 | 168.8 | 0 | 0 | 0 | 111.9 | A145 V146 V147 V152 C153 | A145-L149 WeakPolarHBondContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.29Å; A145-L149 PolarHBondContact O-N 3.28Å; V146-L149 PolarHBondContact O-N 2.97Å; V147-L149 PolarHBondContact O-N 2.94Å; L149-V152 PolarHBondContact O-N 2.79Å; L149-C153 VanDerWaalsContact O-CB 3.27Å; L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 2.97Å; L149-C153 PolarHBondContact O-SG 3.36Å |
| 150 | V | 84.3 | Confident | 79.4 | Confident | 83 Ų | 83 | 94 Ų | 94 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V146 V147 C148 C153 V154 | V146-V150 WeakPolarHBondContact O-CG2 3.4Å; V146-V150 PolarHBondContact O-N 3.13Å; V147-V150 PolarHBondContact O-N 3.08Å; C148-V150 VanDerWaalsContact C-N 3.34Å; C148-V150 PolarHBondContact O-N 3.02Å; V150-C153 WeakPolarHBondContact O-CB 3.4Å; V150-C153 PolarHBondContact O-N 2.85Å; V150-V154 HydrophobicContact CG1-CG2 4.42Å; V150-V154 VanDerWaalsContact O-CG2 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.11Å; V150-V154 PolarHBondContact O-N 3.03Å |
| 151 | T | 80.6 | Confident | 78.2 | Confident | 67 Ų | 67 | 94.5 Ų | 94.5 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.8 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | V147 C148 V154 I155 | V147-T151 HydrophobicContact CG1-CG2 4.41Å; V147-T151 WeakPolarHBondContact O-CG2 3.16Å; V147-T151 PolarHBondContact O-N 3.36Å; V147-T151 PolarHBondContact O-OG1 2.91Å; C148-T151 WeakPolarHBondContact CA-OG1 3.47Å; C148-T151 PolarHBondContact O-N 2.71Å; C148-T151 PolarHBondContact O-OG1 2.79Å; T151-V154 PolarHBondContact O-N 3.27Å; T151-I155 WeakPolarHBondContact O-CB 3.48Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å; T151-I155 PolarHBondContact O-N 2.75Å |
| 152 | V | 79.1 | Confident | 76.8 | Confident | 70 Ų | 70 | 93.9 Ų | 93.9 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.6 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | C148 L149 V154 I155 Y156 | C148-V152 WeakPolarHBondContact O-CG2 3.37Å; C148-V152 PolarHBondContact O-N 2.76Å; L149-V152 PolarHBondContact O-N 2.79Å; V152-V154 VanDerWaalsContact C-N 3.25Å; V152-V154 PolarHBondContact O-N 3.2Å; V152-I155 PolarHBondContact O-N 2.8Å; V152-Y156 HydrophobicContact CB-CD2 4.26Å; V152-Y156 HydrophobicContact CG1-CD2 3.6Å; V152-Y156 HydrophobicContact CG1-CE2 4.13Å; V152-Y156 WeakPolarHBondContact O-CA 3.26Å; V152-Y156 VanDerWaalsContact O-CB 3.28Å; V152-Y156 WeakPolarHBondContact O-CB 3.46Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.15Å |
| 153 | C | 74.6 | Confident | 75.6 | Confident | 61 Ų | 61 | 95 Ų | 95 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 176 | -76 | 0 | 0 | 0 | 0 | 112.5 | L149 V150 R157 | L149-C153 VanDerWaalsContact O-CB 3.27Å; L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 2.97Å; L149-C153 PolarHBondContact O-SG 3.36Å; V150-C153 WeakPolarHBondContact O-CB 3.4Å; V150-C153 PolarHBondContact O-N 2.85Å; C153-R157 WeakPolarHBondContact O-CA 3.47Å; C153-R157 WeakPolarHBondContact O-CB 3.4Å; C153-R157 WeakPolarHBondContact O-CG 3.3Å; C153-R157 PolarHBondContact O-N 3.38Å; C153-R157 VanDerWaalsContact O-N 3.08Å |
| 154 | V | 75.8 | Confident | 74.2 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.8 | -50.1 | 178 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | V150 T151 V152 R157 | V150-V154 HydrophobicContact CG1-CG2 4.42Å; V150-V154 VanDerWaalsContact O-CG2 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.11Å; V150-V154 PolarHBondContact O-N 3.03Å; T151-V154 PolarHBondContact O-N 3.27Å; V152-V154 VanDerWaalsContact C-N 3.25Å; V152-V154 PolarHBondContact O-N 3.2Å; V154-R157 PolarHBondContact O-N 3.31Å |
| 155 | I | 72.1 | Confident | 73 | Confident | 124 Ų | 124 | 101.4 Ų | 101.4 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -48.8 | -178 | -66.4 | 166.6 | 0 | 0 | 0 | 110.2 | T151 V152 R157 | T151-I155 WeakPolarHBondContact O-CB 3.48Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å; T151-I155 PolarHBondContact O-N 2.75Å; V152-I155 PolarHBondContact O-N 2.8Å; I155-R157 VanDerWaalsContact C-N 3.28Å; I155-R157 PolarHBondContact O-N 2.97Å |
| 156 | Y | 66.4 | Low | 71.8 | Confident | 117 Ų | 117 | 103.6 Ų | 103.6 | 46% | 0.459 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 19.4 | 179.8 | -61.8 | -83.1 | 0 | 0 | 0 | 111.9 | V152 V158 D159 L160 | V152-Y156 HydrophobicContact CB-CD2 4.26Å; V152-Y156 HydrophobicContact CG1-CD2 3.6Å; V152-Y156 HydrophobicContact CG1-CE2 4.13Å; V152-Y156 WeakPolarHBondContact O-CA 3.26Å; V152-Y156 VanDerWaalsContact O-CB 3.28Å; V152-Y156 WeakPolarHBondContact O-CB 3.46Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.15Å; Y156-V158 PolarHBondContact O-N 3.38Å; Y156-V158 VanDerWaalsContact O-N 3.12Å; Y156-D159 HydrophobicContact CD1-CB 3.86Å; Y156-D159 WeakPolarHBondContact CD1-OD2 3.49Å; Y156-D159 CarbonylContact O-C 3.59Å; Y156-D159 PolarHBondContact O-N 3.28Å; Y156-D159 VanDerWaalsContact O-N 3.16Å; Y156-L160 WeakPolarHBondContact O-CA 3.33Å; Y156-L160 WeakPolarHBondContact O-CB 3.3Å; Y156-L160 PolarHBondContact O-N 2.72Å |
| 157 | R | 65.5 | Low | 70.4 | Confident | 187 Ų | 187 | 103.8 Ų | 103.8 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -53.3 | -37.6 | 175.3 | -96.1 | -142.2 | -173.9 | -130.5 | 3.6 | 111.8 | C153 V154 I155 V161 | C153-R157 WeakPolarHBondContact O-CA 3.47Å; C153-R157 WeakPolarHBondContact O-CB 3.4Å; C153-R157 WeakPolarHBondContact O-CG 3.3Å; C153-R157 PolarHBondContact O-N 3.38Å; C153-R157 VanDerWaalsContact O-N 3.08Å; V154-R157 PolarHBondContact O-N 3.31Å; I155-R157 VanDerWaalsContact C-N 3.28Å; I155-R157 PolarHBondContact O-N 2.97Å; R157-V161 WeakPolarHBondContact O-CB 3.36Å; R157-V161 WeakPolarHBondContact O-CG2 3.38Å; R157-V161 PolarHBondContact O-N 2.81Å |
| 158 | V | 58.7 | Low | 69 | Low | 102 Ų | 102 | 102.4 Ų | 102.4 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75 | -46.5 | 178.7 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | Y156 V161 L162 | Y156-V158 PolarHBondContact O-N 3.38Å; Y156-V158 VanDerWaalsContact O-N 3.12Å; V158-V161 PolarHBondContact O-N 3.38Å; V158-L162 HydrophobicContact CG1-CD1 4.2Å; V158-L162 VanDerWaalsContact O-CG 3.3Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 2.91Å |
| 159 | D | 59 | Low | 67.4 | Low | 86 Ų | 86 | 107.7 Ų | 107.7 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.8 | -30.4 | 179.7 | -72.8 | -40.2 | 0 | 0 | 0 | 113.7 | Y156 L162 F163 | Y156-D159 HydrophobicContact CD1-CB 3.86Å; Y156-D159 WeakPolarHBondContact CD1-OD2 3.49Å; Y156-D159 CarbonylContact O-C 3.59Å; Y156-D159 PolarHBondContact O-N 3.28Å; Y156-D159 VanDerWaalsContact O-N 3.16Å; D159-L162 CarbonylContact O-C 3.55Å; D159-L162 PolarHBondContact O-N 2.91Å; D159-F163 WeakPolarHBondContact O-CB 3.46Å; D159-F163 PolarHBondContact O-N 3.45Å |
| 160 | L | 62.1 | Low | 65.8 | Low | 92 Ų | 92 | 109 Ų | 109 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.4 | -35.2 | 174.9 | -168 | 144.1 | 0 | 0 | 0 | 110.5 | Y156 Y164 | Y156-L160 WeakPolarHBondContact O-CA 3.33Å; Y156-L160 WeakPolarHBondContact O-CB 3.3Å; Y156-L160 PolarHBondContact O-N 2.72Å; L160-Y164 WeakPolarHBondContact O-CA 3.28Å; L160-Y164 WeakPolarHBondContact O-CB 3.09Å; L160-Y164 PolarHBondContact O-N 3.41Å |
| 161 | V | 63.8 | Low | 64 | Low | 97 Ų | 97 | 110 Ų | 110 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 168 | 167 | 0 | 0 | 0 | 0 | 110.7 | R157 V158 R165 | R157-V161 WeakPolarHBondContact O-CB 3.36Å; R157-V161 WeakPolarHBondContact O-CG2 3.38Å; R157-V161 PolarHBondContact O-N 2.81Å; V158-V161 PolarHBondContact O-N 3.38Å; V161-R165 WeakPolarHBondContact O-CB 3.27Å; V161-R165 PolarHBondContact O-N 3.33Å |
| 162 | L | 60.1 | Low | 62.5 | Low | 96 Ų | 96 | 113.9 Ų | 113.9 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -39.3 | 176 | -72.3 | 170.1 | 0 | 0 | 0 | 112.2 | V158 D159 H166 | V158-L162 HydrophobicContact CG1-CD1 4.2Å; V158-L162 VanDerWaalsContact O-CG 3.3Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 2.91Å; D159-L162 CarbonylContact O-C 3.55Å; D159-L162 PolarHBondContact O-N 2.91Å; L162-H166 VanDerWaalsContact O-CB 3.26Å; L162-H166 WeakPolarHBondContact O-CB 3.49Å; L162-H166 PolarHBondContact O-N 3.24Å |
| 163 | F | 63.7 | Low | 61.2 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 56% | 0.557 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -74.6 | -40.5 | 178.6 | -165.1 | -101.2 | 0 | 0 | 0 | 111.6 | D159 H166 L167 | D159-F163 WeakPolarHBondContact O-CB 3.46Å; D159-F163 PolarHBondContact O-N 3.45Å; F163-H166 CarbonylContact O-C 3.57Å; F163-H166 PolarHBondContact O-N 3.21Å; F163-L167 HydrophobicContact CD1-CD1 3.59Å; F163-L167 HydrophobicContact CD1-CG 4.12Å; F163-L167 HydrophobicContact CE1-CD1 3.47Å; F163-L167 VanDerWaalsContact CE1-CD1 3.47Å; F163-L167 HydrophobicContact CE1-CD2 4.44Å; F163-L167 HydrophobicContact CE1-CG 3.97Å; F163-L167 HydrophobicContact CZ-CD1 4.43Å; F163-L167 WeakPolarHBondContact O-CB 3.15Å; F163-L167 WeakPolarHBondContact O-CG 3.03Å; F163-L167 PolarHBondContact O-N 2.9Å |
| 164 | Y | 63.2 | Low | 59.9 | Low | 160 Ų | 160 | 119.7 Ų | 119.7 | 63% | 0.627 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.4 | -50.7 | 169.4 | -176.5 | -96.4 | 0 | 0 | 0 | 109.6 | L160 H166 L167 T168 | L160-Y164 WeakPolarHBondContact O-CA 3.28Å; L160-Y164 WeakPolarHBondContact O-CB 3.09Å; L160-Y164 PolarHBondContact O-N 3.41Å; Y164-H166 VanDerWaalsContact C-N 3.28Å; Y164-H166 PolarHBondContact O-N 3.46Å; Y164-L167 PolarHBondContact O-N 3.29Å; Y164-L167 VanDerWaalsContact O-N 3.15Å; Y164-T168 PolarHBondContact O-N 3.47Å; Y164-T168 PolarHBondContact O-OG1 3.22Å |
| 165 | R | 64.8 | Low | 58.5 | Low | 173 Ų | 173 | 120.2 Ų | 120.2 | 65% | 0.653 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.9 | -34.6 | 175.3 | -172 | 176.9 | -176.5 | 174.5 | 1.4 | 112.7 | V161 R169 | V161-R165 WeakPolarHBondContact O-CB 3.27Å; V161-R165 PolarHBondContact O-N 3.33Å; R165-R169 WeakPolarHBondContact O-CB 3.15Å; R165-R169 PolarHBondContact O-N 3.35Å |
| 166 | H | 64.9 | Low | 57.5 | Low | 94 Ų | 94 | 118 Ų | 118 | 44% | 0.435 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70 | -40.2 | 175.5 | -174.6 | 53.5 | 0 | 0 | 0 | 111.9 | L162 F163 Y164 R170 | L162-H166 VanDerWaalsContact O-CB 3.26Å; L162-H166 WeakPolarHBondContact O-CB 3.49Å; L162-H166 PolarHBondContact O-N 3.24Å; F163-H166 CarbonylContact O-C 3.57Å; F163-H166 PolarHBondContact O-N 3.21Å; Y164-H166 VanDerWaalsContact C-N 3.28Å; Y164-H166 PolarHBondContact O-N 3.46Å; H166-R170 PolarHBondContact NE2-NH1 2.91Å; H166-R170 VanDerWaalsContact NE2-NH1 3.19Å; H166-R170 WeakPolarHBondContact O-CB 3.33Å; H166-R170 PolarHBondContact O-N 3.49Å |
| 167 | L | 61.9 | Low | 56.5 | Low | 82 Ų | 82 | 117.6 Ų | 117.6 | 43% | 0.429 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.5 | -47.6 | 173.9 | -75.9 | 170.3 | 0 | 0 | 0 | 111.5 | F163 Y164 R169 R170 D171 | F163-L167 HydrophobicContact CD1-CD1 3.59Å; F163-L167 HydrophobicContact CD1-CG 4.12Å; F163-L167 HydrophobicContact CE1-CD1 3.47Å; F163-L167 VanDerWaalsContact CE1-CD1 3.47Å; F163-L167 HydrophobicContact CE1-CD2 4.44Å; F163-L167 HydrophobicContact CE1-CG 3.97Å; F163-L167 HydrophobicContact CZ-CD1 4.43Å; F163-L167 WeakPolarHBondContact O-CB 3.15Å; F163-L167 WeakPolarHBondContact O-CG 3.03Å; F163-L167 PolarHBondContact O-N 2.9Å; Y164-L167 PolarHBondContact O-N 3.29Å; Y164-L167 VanDerWaalsContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3Å; L167-R170 WeakPolarHBondContact O-CA 3.42Å; L167-R170 WeakPolarHBondContact O-CB 2.87Å; L167-R170 PolarHBondContact O-N 3.28Å; L167-D171 PolarHBondContact O-N 2.9Å |
| 168 | T | 59.2 | Low | 55.9 | Low | 58 Ų | 58 | 114.4 Ų | 114.4 | 36% | 0.356 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.9 | -39.8 | 176.5 | -31.5 | 0 | 0 | 0 | 0 | 111 | Y164 R170 D171 E172 | Y164-T168 PolarHBondContact O-N 3.47Å; Y164-T168 PolarHBondContact O-OG1 3.22Å; T168-R170 VanDerWaalsContact C-N 3.28Å; T168-R170 PolarHBondContact O-N 2.68Å; T168-D171 PolarHBondContact O-N 3.36Å; T168-E172 WeakPolarHBondContact O-CG 3.49Å; T168-E172 PolarHBondContact O-N 3.19Å |
| 169 | R | 53.1 | Low | 55.4 | Low | 175 Ų | 175 | 118.5 Ų | 118.5 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.5 | -23.8 | 175.3 | -166.9 | 176.5 | -168 | 174.8 | 3.3 | 113.2 | R165 L167 | R165-R169 WeakPolarHBondContact O-CB 3.15Å; R165-R169 PolarHBondContact O-N 3.35Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3Å |
| 170 | R | 49.6 | Very low | 54.8 | Low | 142 Ų | 142 | 120 Ų | 120 | 54% | 0.536 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -80.8 | -34.4 | 176.4 | -147.8 | 178.2 | -163.9 | 133.8 | -3.6 | 111.6 | H166 L167 T168 E172 T173 L174 | H166-R170 PolarHBondContact NE2-NH1 2.91Å; H166-R170 VanDerWaalsContact NE2-NH1 3.19Å; H166-R170 WeakPolarHBondContact O-CB 3.33Å; H166-R170 PolarHBondContact O-N 3.49Å; L167-R170 WeakPolarHBondContact O-CA 3.42Å; L167-R170 WeakPolarHBondContact O-CB 2.87Å; L167-R170 PolarHBondContact O-N 3.28Å; T168-R170 VanDerWaalsContact C-N 3.28Å; T168-R170 PolarHBondContact O-N 2.68Å; R170-E172 VanDerWaalsContact C-N 3.25Å; R170-E172 PolarHBondContact O-N 3.16Å; R170-T173 PolarHBondContact O-N 2.84Å; R170-T173 PolarHBondContact O-OG1 2.88Å; R170-L174 PolarHBondContact O-N 3.5Å |
| 171 | D | 45.4 | Very low | 54.2 | Low | 106 Ų | 106 | 119.8 Ų | 119.8 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.2 | -29.3 | 173.8 | -77.8 | -25.5 | 0 | 0 | 0 | 112.6 | L167 T168 T173 L174 T175 | L167-D171 PolarHBondContact O-N 2.9Å; T168-D171 PolarHBondContact O-N 3.36Å; D171-T173 PolarHBondContact O-N 2.93Å; D171-L174 PolarHBondContact O-N 3.35Å; D171-T175 PolarHBondContact O-N 3.12Å; D171-T175 PolarHBondContact O-OG1 3.08Å |
| 172 | E | 49.4 | Very low | 53.5 | Low | 148 Ų | 148 | 117.5 Ų | 117.5 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.3 | -21.2 | 170.7 | -64.2 | 179 | -136.8 | 0 | 0 | 113 | T168 R170 | T168-E172 WeakPolarHBondContact O-CG 3.49Å; T168-E172 PolarHBondContact O-N 3.19Å; R170-E172 VanDerWaalsContact C-N 3.25Å; R170-E172 PolarHBondContact O-N 3.16Å |
| 173 | T | 52 | Low | 53.2 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -99.6 | -5.7 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | R170 D171 | R170-T173 PolarHBondContact O-N 2.84Å; R170-T173 PolarHBondContact O-OG1 2.88Å; D171-T173 PolarHBondContact O-N 2.93Å |
| 174 | L | 48.5 | Very low | 52.6 | Low | 144 Ų | 144 | 116.3 Ų | 116.3 | 75% | 0.754 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -109.5 | -8.1 | 174.5 | -89.7 | 158.1 | 0 | 0 | 0 | 113.7 | R170 D171 | R170-L174 PolarHBondContact O-N 3.5Å; D171-L174 PolarHBondContact O-N 3.35Å |
| 175 | T | 45.3 | Very low | 51.8 | Low | 105 Ų | 105 | 118 Ų | 118 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | trans | -105.4 | 57.7 | 171.6 | -41.1 | 0 | 0 | 0 | 0 | 110.6 | D171 N177 | D171-T175 PolarHBondContact O-N 3.12Å; D171-T175 PolarHBondContact O-OG1 3.08Å; T175-N177 PolarHBondContact O-N 3.29Å | ||
| 176 | G | 51.4 | Low | 51.2 | Low | 79 Ų | 79 | 115.4 Ų | 115.4 | 81% | 0.814 | 62% | 0.62 | S | S | * | * | trans | -66.7 | 76.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 177 | N | 44.7 | Very low | 50.6 | Low | 107 Ų | 107 | 117 Ų | 117 | 57% | 0.572 | 63% | 0.629 | S | S | * | * | trans | -160.2 | 77.4 | 160.6 | -143.8 | 19.7 | 0 | 0 | 0 | 112.1 | T175 Y179 | T175-N177 PolarHBondContact O-N 3.29Å; N177-Y179 PolarHBondContact O-N 2.88Å | ||
| 178 | T | 52.8 | Low | 50.1 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | trans | 35.6 | 31 | 130.6 | 56.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 179 | Y | 47.5 | Very low | 49.6 | Very low | 187 Ų | 187 | 121.6 Ų | 121.6 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | trans | -132.7 | 14.7 | -178.9 | -77 | -76.4 | 0 | 0 | 0 | 119.2 | N177 | N177-Y179 PolarHBondContact O-N 2.88Š| ||
| 180 | N | 48.3 | Very low | 49.4 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -127.2 | 5.2 | 178.5 | -116.6 | 17.5 | 0 | 0 | 0 | 117.9 | G182 | N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 3.22Å |
| 181 | A | 49.2 | Very low | 49.4 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.6 | -19.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 182 | G | 48.2 | Very low | 49.4 | Very low | 50 Ų | 50 | 119.4 Ų | 119.4 | 52% | 0.515 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -82.9 | -30.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N180 | N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 3.22Å |
| 183 | I | 53.8 | Low | 49.5 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -81.3 | -31 | -171.4 | -62.1 | -176.1 | 0 | 0 | 0 | 111.8 | M187 | I183-M187 WeakPolarHBondContact O-CB 3.38Å; I183-M187 PolarHBondContact O-N 3.03Å; I183-M187 VanDerWaalsContact O-N 3.09Å |
| 184 | S | 52.1 | Low | 49.6 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.5 | -34.8 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | F188 | S184-F188 WeakPolarHBondContact O-CB 3.38Å; S184-F188 PolarHBondContact O-N 3.09Å; S184-F188 VanDerWaalsContact O-N 3.09Å |
| 185 | Y | 46.4 | Very low | 49.5 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71 | -37.8 | 176 | -85.7 | -85.1 | 0 | 0 | 0 | 112.2 | S189 | Y185-S189 WeakPolarHBondContact O-CB 3.49Å; Y185-S189 PolarHBondContact O-N 3.01Å |
| 186 | L | 52.2 | Low | 49.7 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 61% | 0.613 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.5 | -40.3 | 177.3 | -124.4 | 126.6 | 0 | 0 | 0 | 111.7 | L190 | L186-L190 HydrophobicContact CD2-CD1 4.03Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.09Å |
| 187 | M | 51.7 | Low | 49.3 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.2 | -32.4 | 179.6 | -137.8 | -126.4 | 170.1 | 0 | 0 | 112.9 | I183 R191 | I183-M187 WeakPolarHBondContact O-CB 3.38Å; I183-M187 PolarHBondContact O-N 3.03Å; I183-M187 VanDerWaalsContact O-N 3.09Å; M187-R191 WeakPolarHBondContact O-CB 3.49Å; M187-R191 PolarHBondContact O-N 3.45Å |
| 188 | F | 51.9 | Low | 49.5 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 69% | 0.689 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.9 | -36.1 | 174.8 | -155.2 | -92.9 | 0 | 0 | 0 | 112.2 | S184 N192 | S184-F188 WeakPolarHBondContact O-CB 3.38Å; S184-F188 PolarHBondContact O-N 3.09Å; S184-F188 VanDerWaalsContact O-N 3.09Å; F188-N192 PolarHBondContact O-N 3.31Å |
| 189 | S | 47.6 | Very low | 49.4 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 56% | 0.559 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.8 | -38.7 | 174.9 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | Y185 N192 Q193 | Y185-S189 WeakPolarHBondContact O-CB 3.49Å; Y185-S189 PolarHBondContact O-N 3.01Å; S189-N192 PolarHBondContact O-N 3.37Å; S189-Q193 PolarHBondContact O-N 3.21Å |
| 190 | L | 49.8 | Very low | 49.5 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -67.5 | -34.3 | 176.5 | -87.3 | 159.5 | 0 | 0 | 0 | 112.5 | L186 N192 | L186-L190 HydrophobicContact CD2-CD1 4.03Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.09Å; L190-N192 VanDerWaalsContact C-N 3.34Å |
| 191 | R | 49 | Very low | 49.5 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.7 | -25.4 | 176.7 | -174.5 | 159.5 | -81.9 | -137.7 | -5 | 113.2 | M187 | M187-R191 WeakPolarHBondContact O-CB 3.49Å; M187-R191 PolarHBondContact O-N 3.45Å |
| 192 | N | 45 | Very low | 49.6 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -84.4 | -14.8 | 179.8 | -131.7 | 2.9 | 0 | 0 | 0 | 113.9 | F188 S189 L190 | F188-N192 PolarHBondContact O-N 3.31Å; S189-N192 PolarHBondContact O-N 3.37Å; L190-N192 VanDerWaalsContact C-N 3.34Å |
| 193 | Q | 52.5 | Low | 49.7 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 71% | 0.71 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -88.8 | -21.4 | 172.8 | -81.7 | -74.9 | -45.8 | 0 | 0 | 113.3 | S189 | S189-Q193 PolarHBondContact O-N 3.21Å |
| 194 | I | 53.8 | Low | 49.4 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -82 | -18.4 | 178.6 | -69 | 170.1 | 0 | 0 | 0 | 112.5 | ||
| 195 | N | 47.4 | Very low | 49.2 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 15.5 | 179.5 | -88 | -6.4 | 0 | 0 | 0 | 114.3 | ||
| 196 | R | 49.6 | Very low | 49.4 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -136.9 | 39.2 | 178.9 | -143.9 | -164.6 | -71.7 | -176.6 | -2.1 | 114.3 | ||||
| 197 | H | 42.2 | Very low | 49.1 | Very low | 250 Ų | 250 | 147.3 Ų | 147.3 | 100% | 1.157 | 70% | 0.697 | S | S | * | * | trans | -145.7 | 0 | 161.1 | -115.6 | -67 | 0 | 0 | 0 | 111.5 |
Retrieved 197 of 197 residues in 32.1 ms
(Link to these results)