| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.7 | Very low | 46.9 | Very low | 245 Ų | 245 | 139.1 Ų | 139.1 | 100% | 1.207 | 83% | 0.832 | S | S | * | * | 0 | 133.3 | 0 | -73.7 | 177.3 | 175.5 | 0 | 0 | 108.4 | |||||
| 2 | K | 40 | Very low | 47.5 | Very low | 216 Ų | 216 | 137.9 Ų | 137.9 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | 69.4 | 106.2 | 176.4 | -70.6 | -179.2 | 175.5 | 176.6 | 0 | 118.3 | ||||
| 3 | V | 37.7 | Very low | 47.8 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -76.6 | 164.9 | 166.5 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | L | 44.8 | Very low | 48.3 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 120.7 | 95 | 153.3 | -61.3 | 168.3 | 0 | 0 | 0 | 110.8 | ||||
| 5 | A | 44.2 | Very low | 48.6 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | 68.5 | 139.9 | 69.3 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 6 | A | 48.1 | Very low | 48.5 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | 88.2 | 115 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 7 | G | 41.9 | Very low | 48.2 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 162.7 | 14.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | V9 | G7-V9 PolarHBondContact O-N 3.11Å; G7-V9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | V | 54.2 | Low | 47.8 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -77.6 | 92.6 | 169.5 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | P10 | V8-P10 WeakPolarHBondContact O-CD 3.37Š| ||
| 9 | V | 55.5 | Low | 47.5 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -78.8 | 113.5 | 164.3 | 177.5 | 0 | 0 | 0 | 0 | 106.7 | G7 L11 | G7-V9 PolarHBondContact O-N 3.11Å; G7-V9 VanDerWaalsContact O-N 3.11Å; V9-L11 PolarHBondContact O-N 2.76Å | ||
| 10 | P | 55.2 | Low | 47 | Very low | 83 Ų | 83 | 145.2 Ų | 145.2 | 54% | 0.539 | 81% | 0.806 | S | S | . | * | trans | -65.6 | 136.1 | -172.1 | -18.6 | 31.1 | 0 | 0 | 0 | 111.7 | V8 L12 | V8-P10 WeakPolarHBondContact O-CD 3.37Å; P10-L12 HydrophobicContact CB-CB 4.44Å; P10-L12 HydrophobicContact CB-CD1 4.29Å; P10-L12 HydrophobicContact CB-CG 4.49Å; P10-L12 PolarHBondContact O-N 3.47Å | ||
| 11 | L | 55.1 | Low | 46.7 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 17.1 | 172.1 | -117.3 | 102.4 | 0 | 0 | 0 | 115.3 | V9 | V9-L11 PolarHBondContact O-N 2.76Š|
| 12 | L | 53.5 | Low | 46.4 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 65% | 0.654 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -5.2 | -167.5 | -73.4 | 168.1 | 0 | 0 | 0 | 114.9 | P10 | P10-L12 HydrophobicContact CB-CB 4.44Å; P10-L12 HydrophobicContact CB-CD1 4.29Å; P10-L12 HydrophobicContact CB-CG 4.49Å; P10-L12 PolarHBondContact O-N 3.47Å |
| 13 | L | 51.4 | Low | 46.5 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -92.1 | -5.5 | 176.6 | -94 | 145.7 | 0 | 0 | 0 | 114.7 | ||
| 14 | V | 54.8 | Low | 46.9 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -96 | -13.1 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 15 | L | 52.9 | Low | 46.9 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -0.1 | -177.4 | -76.2 | 162.5 | 0 | 0 | 0 | 115 | ||
| 16 | H | 47.1 | Very low | 47 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 14.9 | 179.2 | -80.8 | -63.4 | 0 | 0 | 0 | 115.4 | K18 | H16-K18 PolarHBondContact O-N 3.46Š|
| 17 | W | 43 | Very low | 47 | Very low | 220 Ų | 220 | 127.8 Ų | 127.8 | 83% | 0.833 | 74% | 0.74 | S | S | * | * | trans | -73.3 | 75.4 | 161.5 | -80.3 | 36.6 | 0 | 0 | 0 | 109.1 | H19 | W17-H19 VanDerWaalsContact C-N 3.31Å; W17-H19 PolarHBondContact O-N 3.16Å; W17-H19 PolarHBondContact O-ND1 3.2Å; W17-H19 VanDerWaalsContact O-ND1 3.15Å | ||
| 18 | K | 41.8 | Very low | 47.3 | Very low | 195 Ų | 195 | 126.3 Ų | 126.3 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -47.7 | 109 | 149.2 | -90.4 | -170 | 172.4 | -178 | 0 | 104.9 | H16 G20 | H16-K18 PolarHBondContact O-N 3.46Å; K18-G20 PolarHBondContact O-N 2.91Å | ||
| 19 | H | 42.3 | Very low | 47.3 | Very low | 178 Ų | 178 | 122.4 Ų | 122.4 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | trans | -57.5 | 100.8 | 168.1 | -74.6 | 55.8 | 0 | 0 | 0 | 105 | W17 A21 | W17-H19 VanDerWaalsContact C-N 3.31Å; W17-H19 PolarHBondContact O-N 3.16Å; W17-H19 PolarHBondContact O-ND1 3.2Å; W17-H19 VanDerWaalsContact O-ND1 3.15Å; H19-A21 PolarHBondContact O-N 3.46Å | ||
| 20 | G | 36.4 | Very low | 47.3 | Very low | 72 Ų | 72 | 121.2 Ų | 121.2 | 74% | 0.742 | 69% | 0.687 | S | S | * | * | trans | -52.3 | 112.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 105 | K18 G22 | K18-G20 PolarHBondContact O-N 2.91Å; G20-G22 PolarHBondContact O-N 3.3Å | ||
| 21 | A | 40.2 | Very low | 47.4 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -62.4 | 83.5 | 171 | 0 | 0 | 0 | 0 | 0 | 106.5 | H19 S23 | H19-A21 PolarHBondContact O-N 3.46Å; A21-S23 PolarHBondContact O-N 2.9Å | ||
| 22 | G | 34.3 | Very low | 47.7 | Very low | 69 Ų | 69 | 114.2 Ų | 114.2 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | trans | -64.5 | 81.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | G20 P24 | G20-G22 PolarHBondContact O-N 3.3Å; G22-P24 VanDerWaalsContact O-CD 3.31Å; G22-P24 WeakPolarHBondContact O-CD 3.38Å; G22-P24 VanDerWaalsContact O-N 3.13Å | ||
| 23 | S | 42 | Very low | 48.6 | Very low | 97 Ų | 97 | 112.7 Ų | 112.7 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | trans | -56 | 118 | 164.4 | -67.1 | 0 | 0 | 0 | 0 | 105.3 | A21 L25 | A21-S23 PolarHBondContact O-N 2.9Å; S23-L25 PolarHBondContact O-N 3.07Å | ||
| 24 | P | 46.9 | Very low | 49.7 | Very low | 106 Ų | 106 | 107 Ų | 107 | 69% | 0.688 | 62% | 0.616 | S | S | * | * | trans | -62.1 | 112.1 | 176 | 24.8 | -30.1 | 0 | 0 | 0 | 106 | G22 | G22-P24 VanDerWaalsContact O-CD 3.31Å; G22-P24 WeakPolarHBondContact O-CD 3.38Å; G22-P24 VanDerWaalsContact O-N 3.13Å | ||
| 25 | L | 43.9 | Very low | 50.5 | Low | 139 Ų | 139 | 105 Ų | 105 | 73% | 0.728 | 61% | 0.613 | S | S | * | * | trans | -50.7 | 126.7 | 169.9 | -75 | 163.7 | 0 | 0 | 0 | 106.5 | S23 I27 | S23-L25 PolarHBondContact O-N 3.07Å; L25-I27 HydrophobicContact CB-CD1 4.44Å; L25-I27 HydrophobicContact CB-CG1 3.87Å; L25-I27 PolarHBondContact O-N 3.19Å | ||
| 26 | P | 45.5 | Very low | 50.9 | Low | 87 Ų | 87 | 102 Ų | 102 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | trans | -72.6 | 81.5 | 171.8 | 29.8 | -30.3 | 0 | 0 | 0 | 106.8 | T28 | P26-T28 PolarHBondContact O-N 3.11Š| ||
| 27 | I | 48.3 | Very low | 51.9 | Low | 136 Ų | 136 | 105.3 Ų | 105.3 | 70% | 0.697 | 61% | 0.606 | S | S | * | * | trans | -81.5 | 80 | 170.6 | -43.1 | 173 | 0 | 0 | 0 | 105.7 | L25 P29 | L25-I27 HydrophobicContact CB-CD1 4.44Å; L25-I27 HydrophobicContact CB-CG1 3.87Å; L25-I27 PolarHBondContact O-N 3.19Å; I27-P29 VanDerWaalsContact O-CD 3.23Å; I27-P29 WeakPolarHBondContact O-CD 3.39Å | ||
| 28 | T | 49 | Very low | 53.2 | Low | 43 Ų | 43 | 101.9 Ų | 101.9 | 26% | 0.264 | 60% | 0.599 | S | S | . | * | trans | -82.2 | 105.1 | 153.8 | 45.6 | 0 | 0 | 0 | 0 | 105.8 | P26 V30 | P26-T28 PolarHBondContact O-N 3.11Å; T28-V30 PolarHBondContact O-N 3.23Å | ||
| 29 | P | 54.6 | Low | 55.1 | Low | 55 Ų | 55 | 98.4 Ų | 98.4 | 36% | 0.357 | 60% | 0.596 | S | S | . | * | trans | -59.5 | 123.6 | 176.6 | 23.6 | -31.5 | 0 | 0 | 0 | 108.5 | I27 N31 A32 Y168 | I27-P29 VanDerWaalsContact O-CD 3.23Å; I27-P29 WeakPolarHBondContact O-CD 3.39Å; P29-N31 PolarHBondContact O-N 3.23Å; P29-N31 VanDerWaalsContact O-N 3.12Å; P29-A32 HydrophobicContact CG-CB 4.04Å; P29-Y168 PolarHBondContact O-OH 3.48Å; P29-Y168 VanDerWaalsContact O-OH 3.13Å | ||
| 30 | V | 54.7 | Low | 57.3 | Low | 103 Ų | 103 | 91.6 Ų | 91.6 | 62% | 0.624 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -57.3 | -28.4 | -176.3 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | T28 V166 Y168 | T28-V30 PolarHBondContact O-N 3.23Å; V30-V166 WeakPolarHBondContact O-CG2 3.38Å; V30-Y168 WeakPolarHBondContact CA-OH 3.33Å; V30-Y168 HydrophobicContact CG1-CE2 4.33Å |
| 31 | N | 58.2 | Low | 59.8 | Low | 89 Ų | 89 | 90.9 Ų | 90.9 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -143.6 | 112.6 | 167.4 | -73.5 | -38.1 | 0 | 0 | 0 | 107.9 | P29 T33 | P29-N31 PolarHBondContact O-N 3.23Å; P29-N31 VanDerWaalsContact O-N 3.12Å; N31-T33 PolarHBondContact O-N 3.03Å |
| 32 | A | 61 | Low | 62 | Low | 7 Ų | 7 | 92.6 Ų | 92.6 | 6% | 0.058 | 56% | 0.557 | C | S | . | * | trans | -81.7 | 111.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P29 Y106 L152 H163 | P29-A32 HydrophobicContact CG-CB 4.04Å; A32-Y106 WeakPolarHBondContact CB-OH 3.35Å; A32-L152 HydrophobicContact CB-CD1 4.08Å; A32-L152 HydrophobicContact CB-CD2 3.55Å; A32-L152 HydrophobicContact CB-CG 4.48Å; A32-H163 WeakPolarHBondContact O-CA 3.27Å | ||
| 33 | T | 71.5 | Confident | 64.8 | Low | 93 Ų | 93 | 93.1 Ų | 93.1 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | trans | -84.1 | 149.3 | 173.5 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | N31 A35 | N31-T33 PolarHBondContact O-N 3.03Å; T33-A35 PolarHBondContact O-N 3.25Å | ||
| 34 | C | 75.6 | Confident | 67.3 | Low | 37 Ų | 37 | 88.7 Ų | 88.7 | 25% | 0.25 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -72.1 | 24.8 | 179.5 | -72.8 | 0 | 0 | 0 | 0 | 115.4 | T36 C156 V161 S162 | C34-T36 PolarHBondContact O-N 2.75Å; C34-C156 WeakPolarHBondContact CA-SG 3.27Å; C34-C156 HydrophobicContact CB-CB 3.66Å; C34-C156 WeakPolarHBondContact CB-SG 3.38Å; C34-C156 VanDerWaalsContact SG-CA 3.52Å; C34-C156 WeakPolarHBondContact SG-CB 3.47Å; C34-C156 CovalentContact SG-SG 2.02Å; C34-C156 PolarHBondContact SG-SG 3.05Å; C34-V161 PolarHBondContact SG-O 2.88Å; C34-S162 PolarHBondContact N-O 2.98Å |
| 35 | A | 70.6 | Confident | 69.7 | Low | 85 Ų | 85 | 85.7 Ų | 85.7 | 70% | 0.702 | 49% | 0.49 | S | S | * | . | trans | -73.8 | 75.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T33 R37 | T33-A35 PolarHBondContact O-N 3.25Å; A35-R37 PolarHBondContact O-N 3.02Å | ||
| 36 | T | 62.8 | Low | 72.2 | Confident | 76 Ų | 76 | 83.9 Ų | 83.9 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | trans | -79.2 | 120.1 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 109.7 | C34 H38 | C34-T36 PolarHBondContact O-N 2.75Å; T36-H38 PolarHBondContact O-N 2.79Å | ||
| 37 | R | 66.3 | Low | 74.7 | Confident | 232 Ų | 232 | 82.4 Ų | 82.4 | 88% | 0.875 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -72.7 | -17.4 | 173.8 | -71.7 | -173.1 | 179.8 | -173.2 | -0.3 | 112.9 | A35 | A35-R37 PolarHBondContact O-N 3.02Š|
| 38 | H | 71.8 | Confident | 77 | Confident | 148 Ų | 148 | 75.9 Ų | 75.9 | 69% | 0.685 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -137.4 | 148.7 | -174.4 | -60.6 | -60.8 | 0 | 0 | 0 | 110.6 | T36 | T36-H38 PolarHBondContact O-N 2.79Š|
| 39 | P | 82.3 | Confident | 79.4 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 79% | 0.786 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 144.5 | 174.4 | 26.2 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 40 | C | 87.6 | Confident | 81.4 | Confident | 35 Ų | 35 | 82.7 Ų | 82.7 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 144.9 | 175.1 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | L44 C153 | C40-L44 HydrophobicContact CB-CD1 4.04Å; C40-C153 WeakPolarHBondContact CA-SG 3.31Å; C40-C153 HydrophobicContact CB-CB 3.9Å; C40-C153 WeakPolarHBondContact CB-SG 3.44Å; C40-C153 WeakPolarHBondContact SG-CA 3.49Å; C40-C153 WeakPolarHBondContact SG-CB 3.45Å; C40-C153 PolarHBondContact SG-O 3.39Å; C40-C153 CovalentContact SG-SG 2.01Å; C40-C153 PolarHBondContact SG-SG 2.87Å |
| 41 | P | 88.1 | Confident | 83.5 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 38% | 0.377 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 151.6 | 168.1 | -23.9 | 33.2 | 0 | 0 | 0 | 112.3 | L44 | P41-L44 HydrophobicContact CB-CD2 4.45Å; P41-L44 HydrophobicContact CG-CD2 4.41Å; P41-L44 WeakPolarHBondContact O-CG 3.46Å |
| 42 | S | 87.2 | Confident | 85.4 | Confident | 129 Ų | 129 | 75.1 Ų | 75.1 | 90% | 0.902 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -27.1 | -179.9 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 43 | N | 93.3 | Very high | 87.2 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 42% | 0.422 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 28.6 | -172.6 | 65.8 | -12.5 | 0 | 0 | 0 | 114.2 | M45 N46 Q47 | N43-M45 VanDerWaalsContact C-N 3.35Å; N43-M45 PolarHBondContact O-N 2.91Å; N43-N46 PolarHBondContact O-N 3.15Å; N43-N46 VanDerWaalsContact O-N 3.1Å; N43-Q47 PolarHBondContact O-N 2.99Å; N43-Q47 VanDerWaalsContact O-N 3.12Å; N43-Q47 PolarHBondContact OD1-NE2 3.12Å |
| 44 | L | 94.3 | Very high | 88.5 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -49.4 | -46.4 | -173.9 | -75.1 | 169.2 | 0 | 0 | 0 | 114.6 | C40 P41 N46 Q47 I48 N150 C153 R154 | C40-L44 HydrophobicContact CB-CD1 4.04Å; P41-L44 HydrophobicContact CB-CD2 4.45Å; P41-L44 HydrophobicContact CG-CD2 4.41Å; P41-L44 WeakPolarHBondContact O-CG 3.46Å; L44-N46 VanDerWaalsContact C-N 3.32Å; L44-N46 PolarHBondContact O-N 2.84Å; L44-Q47 PolarHBondContact O-N 3.49Å; L44-Q47 VanDerWaalsContact O-N 3.17Å; L44-I48 WeakPolarHBondContact O-CB 3.44Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.03Å; L44-N150 HydrophobicContact CD2-CB 3.92Å; L44-N150 WeakPolarHBondContact CD2-OD1 3.38Å; L44-C153 HydrophobicContact CD1-CB 3.91Å; L44-C153 HydrophobicContact CD2-CB 3.97Å; L44-R154 HydrophobicContact CD1-CB 4Å |
| 45 | M | 96.2 | Very high | 89.6 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 21% | 0.212 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.4 | -35.7 | -176.5 | -68.2 | -55 | -59.1 | 0 | 0 | 112.6 | N43 I48 R49 L102 R154 F202 | N43-M45 VanDerWaalsContact C-N 3.35Å; N43-M45 PolarHBondContact O-N 2.91Å; M45-I48 PolarHBondContact O-N 2.89Å; M45-I48 HydrophobicContact SD-CD1 4.06Å; M45-R49 WeakPolarHBondContact O-CB 3.5Å; M45-R49 PolarHBondContact O-N 3.21Å; M45-L102 HydrophobicContact SD-CD1 4.4Å; M45-L102 HydrophobicContact SD-CD2 4.4Å; M45-R154 HydrophobicContact SD-CG 4.04Å; M45-F202 HydrophobicContact CE-CD1 3.98Å; M45-F202 HydrophobicContact CE-CE1 4.41Å |
| 46 | N | 97.1 | Very high | 90.9 | Very high | 100 Ų | 100 | 73.5 Ų | 73.5 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 174.2 | -71.6 | -12.7 | 0 | 0 | 0 | 110.9 | N43 L44 R49 N50 | N43-N46 PolarHBondContact O-N 3.15Å; N43-N46 VanDerWaalsContact O-N 3.1Å; L44-N46 VanDerWaalsContact C-N 3.32Å; L44-N46 PolarHBondContact O-N 2.84Å; N46-R49 PolarHBondContact O-N 2.83Å; N46-N50 WeakPolarHBondContact O-CB 3.37Å; N46-N50 PolarHBondContact O-N 2.93Å; N46-N50 PolarHBondContact O-ND2 3.33Å; N46-N50 PolarHBondContact O-OD1 3.39Å |
| 47 | Q | 97.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 74.5 Ų | 74.5 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.9 | -62.3 | -169.5 | 13.7 | 0 | 0 | 111.9 | N43 L44 R49 N50 Q51 N150 | N43-Q47 PolarHBondContact O-N 2.99Å; N43-Q47 VanDerWaalsContact O-N 3.12Å; N43-Q47 PolarHBondContact OD1-NE2 3.12Å; L44-Q47 PolarHBondContact O-N 3.49Å; L44-Q47 VanDerWaalsContact O-N 3.17Å; Q47-R49 PolarHBondContact O-N 3.24Å; Q47-N50 PolarHBondContact O-N 3.1Å; Q47-Q51 WeakPolarHBondContact O-CB 3.47Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.06Å; Q47-Q51 PolarHBondContact O-N 2.97Å; Q47-Q51 PolarHBondContact O-OE1 3.44Å; Q47-N150 WeakPolarHBondContact CB-ND2 3.29Å; Q47-N150 PolarHBondContact OE1-ND2 3.01Å; Q47-N150 PolarHBondContact OE1-OD1 3.44Å |
| 48 | I | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 175.8 | -72.8 | 165.3 | 0 | 0 | 0 | 110.2 | L44 M45 N50 Q51 L52 L102 L105 L147 N150 V151 F202 | L44-I48 WeakPolarHBondContact O-CB 3.44Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.03Å; M45-I48 PolarHBondContact O-N 2.89Å; M45-I48 HydrophobicContact SD-CD1 4.06Å; I48-N50 PolarHBondContact O-N 2.98Å; I48-Q51 PolarHBondContact O-N 3.09Å; I48-L52 HydrophobicContact CG2-CD1 3.95Å; I48-L52 WeakPolarHBondContact O-CB 3.37Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.45Å; I48-L102 HydrophobicContact CD1-CD2 4.08Å; I48-L105 HydrophobicContact CG2-CD2 4.08Å; I48-L147 HydrophobicContact CB-CD1 4.06Å; I48-L147 HydrophobicContact CG1-CD1 4Å; I48-L147 HydrophobicContact CG2-CD1 3.91Å; I48-N150 HydrophobicContact CD1-CB 4.36Å; I48-N150 HydrophobicContact CG1-CB 3.83Å; I48-V151 HydrophobicContact CD1-CG2 3.94Å; I48-V151 HydrophobicContact CG1-CG2 4.06Å; I48-F202 HydrophobicContact CG2-CD1 4.39Å |
| 49 | R | 98.2 | Very high | 95.4 | Very high | 127 Ų | 127 | 57.2 Ų | 57.2 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 177.8 | -167.5 | -172.2 | -130.4 | 97.1 | 6.8 | 111.9 | M45 N46 Q47 L52 G53 F202 | M45-R49 WeakPolarHBondContact O-CB 3.5Å; M45-R49 PolarHBondContact O-N 3.21Å; N46-R49 PolarHBondContact O-N 2.83Å; Q47-R49 PolarHBondContact O-N 3.24Å; R49-L52 PolarHBondContact O-N 3.46Å; R49-G53 PolarHBondContact O-N 2.95Å; R49-F202 PolarHBondContact NE-OXT 3.04Å; R49-F202 PolarHBondContact NH1-O 3.05Å; R49-F202 PolarHBondContact NH2-O 3.4Å; R49-F202 PolarHBondContact NH2-OXT 3.34Å |
| 50 | N | 98.1 | Very high | 96.2 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 179.6 | -70.1 | -11.3 | 0 | 0 | 0 | 111.9 | N46 Q47 I48 G53 Q54 | N46-N50 WeakPolarHBondContact O-CB 3.37Å; N46-N50 PolarHBondContact O-N 2.93Å; N46-N50 PolarHBondContact O-ND2 3.33Å; N46-N50 PolarHBondContact O-OD1 3.39Å; Q47-N50 PolarHBondContact O-N 3.1Å; I48-N50 PolarHBondContact O-N 2.98Å; N50-G53 PolarHBondContact O-N 2.77Å; N50-Q54 WeakPolarHBondContact O-CB 3.47Å; N50-Q54 PolarHBondContact O-N 3.32Å |
| 51 | Q | 98.4 | Very high | 96.7 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.3 | -74.4 | 170.8 | -44.5 | 0 | 0 | 111.7 | Q47 I48 Q54 L55 V143 G146 L147 N150 | Q47-Q51 WeakPolarHBondContact O-CB 3.47Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.06Å; Q47-Q51 PolarHBondContact O-N 2.97Å; Q47-Q51 PolarHBondContact O-OE1 3.44Å; I48-Q51 PolarHBondContact O-N 3.09Å; Q51-Q54 PolarHBondContact O-N 3.39Å; Q51-L55 WeakPolarHBondContact O-CB 3.24Å; Q51-L55 VanDerWaalsContact O-CG 3.25Å; Q51-L55 WeakPolarHBondContact O-CG 3.43Å; Q51-L55 PolarHBondContact O-N 3.46Å; Q51-V143 HydrophobicContact CB-CG1 4.1Å; Q51-V143 HydrophobicContact CG-CG1 4.27Å; Q51-G146 VanDerWaalsContact NE2-C 3.26Å; Q51-L147 HydrophobicContact CB-CB 4.28Å; Q51-L147 HydrophobicContact CB-CD1 3.94Å; Q51-N150 PolarHBondContact OE1-ND2 3.49Å |
| 52 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.6 | -74.7 | 171.9 | 0 | 0 | 0 | 112 | I48 R49 L55 N56 L105 L147 I195 L198 A199 F202 | I48-L52 HydrophobicContact CG2-CD1 3.95Å; I48-L52 WeakPolarHBondContact O-CB 3.37Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.45Å; R49-L52 PolarHBondContact O-N 3.46Å; L52-L55 PolarHBondContact O-N 2.66Å; L52-N56 WeakPolarHBondContact O-CB 3.14Å; L52-N56 PolarHBondContact O-N 3.48Å; L52-L105 HydrophobicContact CD1-CD2 4.21Å; L52-L105 HydrophobicContact CD2-CD1 3.99Å; L52-L147 HydrophobicContact CD2-CD2 3.77Å; L52-L147 HydrophobicContact CG-CD1 4.41Å; L52-L147 HydrophobicContact CG-CD2 4.17Å; L52-I195 HydrophobicContact CD2-CD1 3.74Å; L52-L198 HydrophobicContact CD2-CB 3.97Å; L52-A199 HydrophobicContact CB-CB 4.43Å; L52-F202 HydrophobicContact CD1-CB 3.65Å; L52-F202 HydrophobicContact CD1-CD2 3.72Å; L52-F202 HydrophobicContact CD1-CG 3.8Å |
| 53 | G | 98.5 | Very high | 97.7 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R49 N50 N56 S57 | R49-G53 PolarHBondContact O-N 2.95Å; N50-G53 PolarHBondContact O-N 2.77Å; G53-N56 PolarHBondContact O-N 3.35Å; G53-S57 WeakPolarHBondContact O-CB 3.4Å; G53-S57 PolarHBondContact O-N 2.79Å; G53-S57 PolarHBondContact O-OG 3.02Å |
| 54 | Q | 98.3 | Very high | 98 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 175.5 | -176.6 | -177.9 | 2.4 | 0 | 0 | 111.5 | N50 Q51 N56 S57 S58 | N50-Q54 WeakPolarHBondContact O-CB 3.47Å; N50-Q54 PolarHBondContact O-N 3.32Å; Q51-Q54 PolarHBondContact O-N 3.39Å; Q54-N56 PolarHBondContact O-N 3.25Å; Q54-S57 PolarHBondContact O-N 3.21Å; Q54-S57 PolarHBondContact O-OG 3.28Å; Q54-S58 PolarHBondContact O-N 3.25Å; Q54-S58 PolarHBondContact O-OG 3.24Å |
| 55 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.2 | -49.8 | 177 | -73 | 166.7 | 0 | 0 | 0 | 110.6 | Q51 L52 S57 S58 A59 T140 V143 L144 L147 Y191 I195 | Q51-L55 WeakPolarHBondContact O-CB 3.24Å; Q51-L55 VanDerWaalsContact O-CG 3.25Å; Q51-L55 WeakPolarHBondContact O-CG 3.43Å; Q51-L55 PolarHBondContact O-N 3.46Å; L52-L55 PolarHBondContact O-N 2.66Å; L55-S57 PolarHBondContact O-N 3.05Å; L55-S58 PolarHBondContact O-N 3.48Å; L55-S58 VanDerWaalsContact O-N 3.17Å; L55-S58 PolarHBondContact O-OG 3.47Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.22Å; L55-T140 HydrophobicContact CD2-CG2 3.9Å; L55-V143 HydrophobicContact CD1-CG1 4.05Å; L55-V143 HydrophobicContact CD2-CB 3.91Å; L55-V143 HydrophobicContact CD2-CG1 3.8Å; L55-V143 HydrophobicContact CG-CB 4.3Å; L55-V143 HydrophobicContact CG-CG1 3.61Å; L55-L144 HydrophobicContact CD1-CD2 3.73Å; L55-L144 HydrophobicContact CD2-CD2 4.13Å; L55-L144 HydrophobicContact CD2-CG 4.16Å; L55-L147 HydrophobicContact CD1-CD2 3.7Å; L55-Y191 WeakPolarHBondContact CD2-OH 3.33Å; L55-Y191 PolarHBondContact O-OH 3.19Å; L55-I195 HydrophobicContact CB-CD1 3.73Å; L55-I195 HydrophobicContact CB-CG1 3.71Å; L55-I195 HydrophobicContact CD1-CD1 4.04Å |
| 56 | N | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 48 Ų | 48 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 179.6 | -173.2 | 29.8 | 0 | 0 | 0 | 112.5 | L52 G53 Q54 S58 A59 I195 A196 A199 | L52-N56 WeakPolarHBondContact O-CB 3.14Å; L52-N56 PolarHBondContact O-N 3.48Å; G53-N56 PolarHBondContact O-N 3.35Å; Q54-N56 PolarHBondContact O-N 3.25Å; N56-S58 PolarHBondContact O-N 2.97Å; N56-S58 VanDerWaalsContact O-N 3.12Å; N56-A59 PolarHBondContact O-N 3.42Å; N56-I195 HydrophobicContact CB-CG1 4.16Å; N56-I195 HydrophobicContact CB-CG2 4.38Å; N56-A196 WeakPolarHBondContact OD1-CA 3.38Å; N56-A199 HydrophobicContact CB-CB 3.8Å |
| 57 | S | 98.3 | Very high | 98.4 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.5 | -29.3 | 179.2 | 73.6 | 0 | 0 | 0 | 0 | 113.2 | G53 Q54 L55 | G53-S57 WeakPolarHBondContact O-CB 3.4Å; G53-S57 PolarHBondContact O-N 2.79Å; G53-S57 PolarHBondContact O-OG 3.02Å; Q54-S57 PolarHBondContact O-N 3.21Å; Q54-S57 PolarHBondContact O-OG 3.28Å; L55-S57 PolarHBondContact O-N 3.05Å |
| 58 | S | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -97.4 | -15.9 | -175.7 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | Q54 L55 N56 N60 S61 L62 | Q54-S58 PolarHBondContact O-N 3.25Å; Q54-S58 PolarHBondContact O-OG 3.24Å; L55-S58 PolarHBondContact O-N 3.48Å; L55-S58 VanDerWaalsContact O-N 3.17Å; L55-S58 PolarHBondContact O-OG 3.47Å; N56-S58 PolarHBondContact O-N 2.97Å; N56-S58 VanDerWaalsContact O-N 3.12Å; S58-N60 PolarHBondContact O-N 3.29Å; S58-S61 PolarHBondContact O-N 3.34Å; S58-S61 PolarHBondContact O-OG 3.38Å; S58-L62 PolarHBondContact O-N 3Å |
| 59 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L55 N56 S61 L62 F63 Y191 K192 I195 | L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.22Å; N56-A59 PolarHBondContact O-N 3.42Å; A59-S61 PolarHBondContact O-N 3.04Å; A59-L62 PolarHBondContact O-N 3.08Å; A59-F63 PolarHBondContact O-N 2.76Å; A59-Y191 HydrophobicContact CB-CD1 4.21Å; A59-Y191 HydrophobicContact CB-CE1 3.56Å; A59-K192 HydrophobicContact CB-CB 4.45Å; A59-K192 HydrophobicContact CB-CG 4.35Å; A59-I195 HydrophobicContact CB-CG2 3.68Å |
| 60 | N | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 42% | 0.422 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.6 | -169.6 | 59 | 0 | 0 | 0 | 111.7 | S58 L62 F63 I64 K192 | S58-N60 PolarHBondContact O-N 3.29Å; N60-L62 PolarHBondContact O-N 3.31Å; N60-F63 PolarHBondContact O-N 2.91Å; N60-I64 WeakPolarHBondContact ND2-CD1 3.48Å; N60-I64 WeakPolarHBondContact O-CG1 3.39Å; N60-I64 PolarHBondContact O-N 2.7Å; N60-K192 HydrophobicContact CB-CD 4.11Å; N60-K192 WeakPolarHBondContact OD1-CD 3.41Å |
| 61 | S | 98.3 | Very high | 98.4 | Very high | 44 Ų | 44 | 38 Ų | 38 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 177.2 | 67.5 | 0 | 0 | 0 | 0 | 112.7 | S58 A59 I64 L65 K136 | S58-S61 PolarHBondContact O-N 3.34Å; S58-S61 PolarHBondContact O-OG 3.38Å; A59-S61 PolarHBondContact O-N 3.04Å; S61-I64 PolarHBondContact O-N 3.12Å; S61-L65 WeakPolarHBondContact O-CG 3.47Å; S61-L65 PolarHBondContact O-N 3.06Å; S61-K136 WeakPolarHBondContact OG-CE 3.26Å; S61-K136 PolarHBondContact OG-NZ 2.92Å; S61-K136 VanDerWaalsContact OG-NZ 3.09Å |
| 62 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 173.9 | 173.9 | 60 | 0 | 0 | 0 | 111.4 | S58 A59 N60 I64 L65 Y66 L133 K136 L137 T140 L188 Y191 | S58-L62 PolarHBondContact O-N 3Å; A59-L62 PolarHBondContact O-N 3.08Å; N60-L62 PolarHBondContact O-N 3.31Å; L62-I64 VanDerWaalsContact C-N 3.33Å; L62-I64 PolarHBondContact O-N 3.15Å; L62-L65 PolarHBondContact O-N 3.21Å; L62-Y66 WeakPolarHBondContact O-CB 3.36Å; L62-Y66 PolarHBondContact O-N 3.02Å; L62-L133 HydrophobicContact CD1-CD1 3.92Å; L62-K136 HydrophobicContact CB-CG 3.86Å; L62-K136 HydrophobicContact CD1-CB 3.95Å; L62-K136 HydrophobicContact CD1-CG 3.79Å; L62-K136 HydrophobicContact CG-CG 4.36Å; L62-L137 HydrophobicContact CD1-CD2 3.82Å; L62-L137 HydrophobicContact CD1-CG 3.93Å; L62-L137 HydrophobicContact CD2-CD2 4.39Å; L62-T140 HydrophobicContact CD2-CG2 4.11Å; L62-L188 HydrophobicContact CD2-CD2 3.8Å; L62-L188 HydrophobicContact CG-CD1 4.48Å; L62-L188 HydrophobicContact CG-CD2 4.17Å; L62-Y191 HydrophobicContact CD2-CE1 4.16Å |
| 63 | F | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 177.6 | -179.2 | -109.4 | 0 | 0 | 0 | 111.6 | A59 N60 Y66 Y67 C82 L188 K192 | A59-F63 PolarHBondContact O-N 2.76Å; N60-F63 PolarHBondContact O-N 2.91Å; F63-Y66 PolarHBondContact O-N 3.49Å; F63-Y67 AromaticContact CD1-CD1 3.92Å; F63-Y67 HydrophobicContact CD1-CD1 3.92Å; F63-Y67 HydrophobicContact CD1-CE1 4Å; F63-Y67 AromaticContact CE1-CD1 3.83Å; F63-Y67 HydrophobicContact CE1-CD1 3.83Å; F63-Y67 HydrophobicContact CE1-CE1 4.01Å; F63-Y67 HydrophobicContact CG-CD1 4.46Å; F63-Y67 HydrophobicContact CZ-CD1 4.28Å; F63-Y67 WeakPolarHBondContact O-CD1 3.29Å; F63-Y67 PolarHBondContact O-N 3.31Å; F63-Y67 VanDerWaalsContact O-N 3.08Å; F63-C82 HydrophobicContact CE2-CB 3.94Å; F63-C82 HydrophobicContact CZ-CB 3.75Å; F63-L188 HydrophobicContact CD2-CB 3.9Å; F63-K192 HydrophobicContact CB-CD 4.32Å; F63-K192 HydrophobicContact CD1-CD 4.34Å; F63-K192 HydrophobicContact CG-CD 4.42Å |
| 64 | I | 98.5 | Very high | 98.3 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -52.7 | 176.3 | -66.8 | 167.9 | 0 | 0 | 0 | 111.5 | N60 S61 L62 Y66 Y67 T68 | N60-I64 WeakPolarHBondContact ND2-CD1 3.48Å; N60-I64 WeakPolarHBondContact O-CG1 3.39Å; N60-I64 PolarHBondContact O-N 2.7Å; S61-I64 PolarHBondContact O-N 3.12Å; L62-I64 VanDerWaalsContact C-N 3.33Å; L62-I64 PolarHBondContact O-N 3.15Å; I64-Y66 PolarHBondContact O-N 3.5Å; I64-Y67 HydrophobicContact CB-CE1 4.03Å; I64-Y67 HydrophobicContact CG1-CE1 3.77Å; I64-Y67 HydrophobicContact CG2-CE1 4.39Å; I64-Y67 PolarHBondContact O-N 3.1Å; I64-T68 WeakPolarHBondContact O-CB 3.28Å; I64-T68 PolarHBondContact O-N 3.36Å; I64-T68 PolarHBondContact O-OG1 3.13Å |
| 65 | L | 98.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.7 | -39.1 | 177.8 | -74.2 | 169.5 | 0 | 0 | 0 | 112 | S61 L62 A69 L133 K136 | S61-L65 WeakPolarHBondContact O-CG 3.47Å; S61-L65 PolarHBondContact O-N 3.06Å; L62-L65 PolarHBondContact O-N 3.21Å; L65-A69 VanDerWaalsContact O-CB 3.24Å; L65-A69 WeakPolarHBondContact O-CB 3.43Å; L65-A69 PolarHBondContact O-N 3.07Å; L65-A69 VanDerWaalsContact O-N 3.11Å; L65-L133 HydrophobicContact CB-CB 4.42Å; L65-L133 HydrophobicContact CB-CD1 4.15Å; L65-K136 HydrophobicContact CD1-CB 3.98Å; L65-K136 HydrophobicContact CD1-CG 4.14Å |
| 66 | Y | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -57.4 | -179.8 | -174.3 | -87.5 | 0 | 0 | 0 | 111.8 | L62 F63 I64 T68 A69 Q70 I119 Q123 L133 K181 G184 C185 L188 | L62-Y66 WeakPolarHBondContact O-CB 3.36Å; L62-Y66 PolarHBondContact O-N 3.02Å; F63-Y66 PolarHBondContact O-N 3.49Å; I64-Y66 PolarHBondContact O-N 3.5Å; Y66-T68 VanDerWaalsContact C-N 3.28Å; Y66-T68 PolarHBondContact O-N 3.32Å; Y66-A69 PolarHBondContact O-N 3.49Å; Y66-Q70 HydrophobicContact CD1-CG 4.08Å; Y66-Q70 HydrophobicContact CE1-CG 3.78Å; Y66-Q70 VanDerWaalsContact O-CG 3.31Å; Y66-Q70 WeakPolarHBondContact O-CG 3.41Å; Y66-Q70 PolarHBondContact O-N 3.4Å; Y66-Q70 PolarHBondContact O-NE2 2.92Å; Y66-I119 HydrophobicContact CD2-CG2 4.17Å; Y66-I119 HydrophobicContact CE2-CG2 3.58Å; Y66-Q123 HydrophobicContact CD2-CG 4.22Å; Y66-Q123 VanDerWaalsContact CE2-CD 3.5Å; Y66-Q123 HydrophobicContact CE2-CG 3.66Å; Y66-Q123 VanDerWaalsContact CE2-NE2 3.35Å; Y66-Q123 PolarHBondContact OH-NE2 3.38Å; Y66-L133 HydrophobicContact CD2-CD1 4.15Å; Y66-L133 HydrophobicContact CD2-CD2 4.1Å; Y66-K181 WeakPolarHBondContact CE1-O 3.21Å; Y66-K181 PolarHBondContact OH-O 3.43Å; Y66-G184 WeakPolarHBondContact OH-CA 3.36Å; Y66-C185 HydrophobicContact CD1-CB 4.02Å; Y66-C185 VanDerWaalsContact CE1-CA 3.48Å; Y66-C185 HydrophobicContact CE1-CB 3.64Å; Y66-C185 VanDerWaalsContact CE1-N 3.29Å; Y66-L188 VanDerWaalsContact CB-CD1 3.41Å; Y66-L188 HydrophobicContact CD1-CD1 3.97Å; Y66-L188 HydrophobicContact CD2-CD1 3.41Å; Y66-L188 VanDerWaalsContact CD2-CD1 3.41Å; Y66-L188 HydrophobicContact CE2-CD1 4.14Å; Y66-L188 HydrophobicContact CG-CD1 3.3Å |
| 67 | Y | 98.3 | Very high | 98.1 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -33.4 | -174.5 | 73.8 | -115.1 | 0 | 0 | 0 | 111.8 | F63 I64 Q70 P75 L78 | F63-Y67 AromaticContact CD1-CD1 3.92Å; F63-Y67 HydrophobicContact CD1-CD1 3.92Å; F63-Y67 HydrophobicContact CD1-CE1 4Å; F63-Y67 AromaticContact CE1-CD1 3.83Å; F63-Y67 HydrophobicContact CE1-CD1 3.83Å; F63-Y67 HydrophobicContact CE1-CE1 4.01Å; F63-Y67 HydrophobicContact CG-CD1 4.46Å; F63-Y67 HydrophobicContact CZ-CD1 4.28Å; F63-Y67 WeakPolarHBondContact O-CD1 3.29Å; F63-Y67 PolarHBondContact O-N 3.31Å; F63-Y67 VanDerWaalsContact O-N 3.08Å; I64-Y67 HydrophobicContact CB-CE1 4.03Å; I64-Y67 HydrophobicContact CG1-CE1 3.77Å; I64-Y67 HydrophobicContact CG2-CE1 4.39Å; I64-Y67 PolarHBondContact O-N 3.1Å; Y67-Q70 PolarHBondContact O-N 2.94Å; Y67-P75 HydrophobicContact CD2-CB 4.27Å; Y67-P75 HydrophobicContact CD2-CG 4.19Å; Y67-P75 HydrophobicContact CE2-CB 4.33Å; Y67-L78 HydrophobicContact CD1-CD2 3.68Å; Y67-L78 HydrophobicContact CD2-CD2 3.79Å; Y67-L78 HydrophobicContact CE1-CD1 4.19Å; Y67-L78 HydrophobicContact CE1-CD2 4.18Å; Y67-L78 HydrophobicContact CE2-CD1 4.38Å; Y67-L78 HydrophobicContact CE2-CD2 4.35Å; Y67-L78 HydrophobicContact CG-CD2 3.49Å; Y67-L78 VanDerWaalsContact CG-CD2 3.49Å |
| 68 | T | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -43 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 111 | I64 Y66 Q70 G71 | I64-T68 WeakPolarHBondContact O-CB 3.28Å; I64-T68 PolarHBondContact O-N 3.36Å; I64-T68 PolarHBondContact O-OG1 3.13Å; Y66-T68 VanDerWaalsContact C-N 3.28Å; Y66-T68 PolarHBondContact O-N 3.32Å; T68-Q70 PolarHBondContact O-N 2.9Å; T68-G71 PolarHBondContact O-N 2.71Å |
| 69 | A | 98.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 50 Ų | 50 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -18.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L65 Y66 G71 N127 A130 L133 | L65-A69 VanDerWaalsContact O-CB 3.24Å; L65-A69 WeakPolarHBondContact O-CB 3.43Å; L65-A69 PolarHBondContact O-N 3.07Å; L65-A69 VanDerWaalsContact O-N 3.11Å; Y66-A69 PolarHBondContact O-N 3.49Å; A69-G71 VanDerWaalsContact C-N 3.27Å; A69-G71 PolarHBondContact O-N 3.29Å; A69-N127 VanDerWaalsContact O-CG 3.28Å; A69-N127 PolarHBondContact O-ND2 3.48Å; A69-N127 PolarHBondContact O-OD1 2.82Å; A69-A130 HydrophobicContact CB-CB 4.09Å; A69-L133 HydrophobicContact CB-CD2 3.73Å |
| 70 | Q | 98 | Very high | 97.7 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.5 | -20.7 | 177.9 | -56.3 | -33.8 | -63.1 | 0 | 0 | 113.1 | Y66 Y67 T68 F74 Q123 N127 K181 | Y66-Q70 HydrophobicContact CD1-CG 4.08Å; Y66-Q70 HydrophobicContact CE1-CG 3.78Å; Y66-Q70 VanDerWaalsContact O-CG 3.31Å; Y66-Q70 WeakPolarHBondContact O-CG 3.41Å; Y66-Q70 PolarHBondContact O-N 3.4Å; Y66-Q70 PolarHBondContact O-NE2 2.92Å; Y67-Q70 PolarHBondContact O-N 2.94Å; T68-Q70 PolarHBondContact O-N 2.9Å; Q70-F74 HydrophobicContact CB-CB 3.96Å; Q70-F74 HydrophobicContact CB-CD1 3.94Å; Q70-F74 HydrophobicContact CB-CD2 3.48Å; Q70-F74 VanDerWaalsContact CB-CD2 3.48Å; Q70-F74 HydrophobicContact CB-CE1 4.33Å; Q70-F74 HydrophobicContact CB-CE2 3.93Å; Q70-F74 HydrophobicContact CB-CG 3.51Å; Q70-F74 HydrophobicContact CB-CZ 4.35Å; Q70-F74 HydrophobicContact CG-CD1 4.02Å; Q70-F74 HydrophobicContact CG-CD2 4.38Å; Q70-F74 HydrophobicContact CG-CE1 4.23Å; Q70-F74 HydrophobicContact CG-CG 4.12Å; Q70-Q123 VanDerWaalsContact OE1-NE2 3.07Å; Q70-N127 PolarHBondContact OE1-ND2 2.94Å; Q70-K181 HydrophobicContact CB-CD 4.37Å; Q70-K181 HydrophobicContact CG-CB 4.49Å; Q70-K181 PolarHBondContact O-NZ 3.12Å; Q70-K181 VanDerWaalsContact OE1-CG 3.27Å |
| 71 | G | 97.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | 73.8 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T68 A69 F74 P75 | T68-G71 PolarHBondContact O-N 2.71Å; A69-G71 VanDerWaalsContact C-N 3.27Å; A69-G71 PolarHBondContact O-N 3.29Å; G71-F74 WeakPolarHBondContact O-CB 3.41Å; G71-F74 PolarHBondContact O-N 2.84Å; G71-P75 VanDerWaalsContact O-CD 3.27Å; G71-P75 WeakPolarHBondContact O-CD 3.41Å | ||
| 72 | E | 97.5 | Very high | 97.6 | Very high | 123 Ų | 123 | 52.7 Ų | 52.7 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 140.1 | 170.5 | -71.7 | -56.3 | 126.1 | 0 | 0 | 110.7 | N76 | E72-N76 PolarHBondContact OE1-ND2 3.38Å; E72-N76 PolarHBondContact OE2-ND2 3.21Å |
| 73 | P | 97.4 | Very high | 97.5 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.4 | 14.3 | 9.8 | 37.3 | -36.3 | 0 | 0 | 0 | 115 | N77 L81 | P73-N77 WeakPolarHBondContact O-CB 3.46Å; P73-N77 PolarHBondContact O-N 3.39Å; P73-N77 PolarHBondContact O-ND2 3Å; P73-L81 HydrophobicContact CG-CD1 4.02Å |
| 74 | F | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -52.4 | -168.9 | -75.8 | -104.5 | 0 | 0 | 0 | 114 | Q70 G71 N76 N77 L78 L81 F178 K181 C185 | Q70-F74 HydrophobicContact CB-CB 3.96Å; Q70-F74 HydrophobicContact CB-CD1 3.94Å; Q70-F74 HydrophobicContact CB-CD2 3.48Å; Q70-F74 VanDerWaalsContact CB-CD2 3.48Å; Q70-F74 HydrophobicContact CB-CE1 4.33Å; Q70-F74 HydrophobicContact CB-CE2 3.93Å; Q70-F74 HydrophobicContact CB-CG 3.51Å; Q70-F74 HydrophobicContact CB-CZ 4.35Å; Q70-F74 HydrophobicContact CG-CD1 4.02Å; Q70-F74 HydrophobicContact CG-CD2 4.38Å; Q70-F74 HydrophobicContact CG-CE1 4.23Å; Q70-F74 HydrophobicContact CG-CG 4.12Å; G71-F74 WeakPolarHBondContact O-CB 3.41Å; G71-F74 PolarHBondContact O-N 2.84Å; F74-N76 VanDerWaalsContact C-N 3.25Å; F74-N76 PolarHBondContact O-N 2.9Å; F74-N77 CarbonylContact O-C 3.43Å; F74-N77 PolarHBondContact O-N 3.46Å; F74-N77 VanDerWaalsContact O-N 3.15Å; F74-L78 WeakPolarHBondContact O-CD2 3.45Å; F74-L78 PolarHBondContact O-N 3.34Å; F74-L81 HydrophobicContact CD1-CB 4.24Å; F74-L81 HydrophobicContact CD1-CD1 4.36Å; F74-L81 HydrophobicContact CD2-CD1 4.48Å; F74-L81 HydrophobicContact CE1-CB 4.35Å; F74-L81 HydrophobicContact CG-CD1 4.29Å; F74-F178 HydrophobicContact CE2-CD2 4.29Å; F74-F178 HydrophobicContact CE2-CE2 4.07Å; F74-F178 HydrophobicContact CZ-CD2 4.37Å; F74-F178 HydrophobicContact CZ-CE2 4.17Å; F74-K181 HydrophobicContact CE1-CB 4.03Å; F74-K181 HydrophobicContact CE2-CB 4.09Å; F74-K181 HydrophobicContact CE2-CD 4.1Å; F74-K181 HydrophobicContact CZ-CB 3.4Å; F74-K181 HydrophobicContact CZ-CD 4.27Å; F74-K181 HydrophobicContact CZ-CG 4.48Å; F74-C185 HydrophobicContact CD1-CB 4.44Å; F74-C185 HydrophobicContact CE1-CB 4.34Å |
| 75 | P | 97.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 58.5 Ų | 58.5 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -58.9 | -35 | -178.7 | -24.7 | 34.7 | 0 | 0 | 0 | 113.7 | Y67 G71 L78 | Y67-P75 HydrophobicContact CD2-CB 4.27Å; Y67-P75 HydrophobicContact CD2-CG 4.19Å; Y67-P75 HydrophobicContact CE2-CB 4.33Å; G71-P75 VanDerWaalsContact O-CD 3.27Å; G71-P75 WeakPolarHBondContact O-CD 3.41Å; P75-L78 WeakPolarHBondContact O-CG 3.38Å |
| 76 | N | 97.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 56.3 Ų | 56.3 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -85.9 | -7.8 | -178.5 | -70.8 | -36.2 | 0 | 0 | 0 | 114.2 | E72 F74 | E72-N76 PolarHBondContact OE1-ND2 3.38Å; E72-N76 PolarHBondContact OE2-ND2 3.21Å; F74-N76 VanDerWaalsContact C-N 3.25Å; F74-N76 PolarHBondContact O-N 2.9Å |
| 77 | N | 97.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -133.4 | 34.3 | -176.3 | -65.6 | -90.2 | 0 | 0 | 0 | 112.5 | P73 F74 D79 K80 L81 | P73-N77 WeakPolarHBondContact O-CB 3.46Å; P73-N77 PolarHBondContact O-N 3.39Å; P73-N77 PolarHBondContact O-ND2 3Å; F74-N77 CarbonylContact O-C 3.43Å; F74-N77 PolarHBondContact O-N 3.46Å; F74-N77 VanDerWaalsContact O-N 3.15Å; N77-D79 VanDerWaalsContact C-N 3.31Å; N77-D79 PolarHBondContact O-N 2.77Å; N77-K80 PolarHBondContact O-N 3.28Å; N77-L81 HydrophobicContact CB-CD1 3.84Å; N77-L81 HydrophobicContact CB-CG 4.01Å; N77-L81 WeakPolarHBondContact O-CB 3.32Å; N77-L81 PolarHBondContact O-N 3Å |
| 78 | L | 96.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -53.6 | -44.1 | -175.7 | -68.7 | 173.6 | 0 | 0 | 0 | 113.2 | Y67 F74 P75 K80 L81 C82 S83 | Y67-L78 HydrophobicContact CD1-CD2 3.68Å; Y67-L78 HydrophobicContact CD2-CD2 3.79Å; Y67-L78 HydrophobicContact CE1-CD1 4.19Å; Y67-L78 HydrophobicContact CE1-CD2 4.18Å; Y67-L78 HydrophobicContact CE2-CD1 4.38Å; Y67-L78 HydrophobicContact CE2-CD2 4.35Å; Y67-L78 HydrophobicContact CG-CD2 3.49Å; Y67-L78 VanDerWaalsContact CG-CD2 3.49Å; F74-L78 WeakPolarHBondContact O-CD2 3.45Å; F74-L78 PolarHBondContact O-N 3.34Å; P75-L78 WeakPolarHBondContact O-CG 3.38Å; L78-K80 PolarHBondContact O-N 2.94Å; L78-L81 PolarHBondContact O-N 3.48Å; L78-C82 HydrophobicContact CD2-CB 4.25Å; L78-C82 CarbonylContact O-C 3.6Å; L78-C82 WeakPolarHBondContact O-CA 3.46Å; L78-C82 WeakPolarHBondContact O-CB 3.39Å; L78-C82 PolarHBondContact O-N 3.32Å; L78-S83 PolarHBondContact O-N 3.37Å |
| 79 | D | 94.8 | Very high | 95.7 | Very high | 147 Ų | 147 | 60.7 Ų | 60.7 | 79% | 0.786 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.7 | -26.5 | -178.3 | -59.2 | -32 | 0 | 0 | 0 | 112.9 | N77 S83 | N77-D79 VanDerWaalsContact C-N 3.31Å; N77-D79 PolarHBondContact O-N 2.77Å; D79-S83 WeakPolarHBondContact O-CB 3.35Å |
| 80 | K | 95.5 | Very high | 95.6 | Very high | 158 Ų | 158 | 60.1 Ų | 60.1 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -93 | -36.8 | 179.8 | -63.8 | 178.8 | -177.2 | 172.1 | 0 | 112.3 | N77 L78 | N77-K80 PolarHBondContact O-N 3.28Å; L78-K80 PolarHBondContact O-N 2.94Å |
| 81 | L | 97.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -100.1 | -25.4 | -170.6 | -61 | -177.6 | 0 | 0 | 0 | 113.8 | P73 F74 N77 L78 F178 K182 Q186 | P73-L81 HydrophobicContact CG-CD1 4.02Å; F74-L81 HydrophobicContact CD1-CB 4.24Å; F74-L81 HydrophobicContact CD1-CD1 4.36Å; F74-L81 HydrophobicContact CD2-CD1 4.48Å; F74-L81 HydrophobicContact CE1-CB 4.35Å; F74-L81 HydrophobicContact CG-CD1 4.29Å; N77-L81 HydrophobicContact CB-CD1 3.84Å; N77-L81 HydrophobicContact CB-CG 4.01Å; N77-L81 WeakPolarHBondContact O-CB 3.32Å; N77-L81 PolarHBondContact O-N 3Å; L78-L81 PolarHBondContact O-N 3.48Å; L81-F178 HydrophobicContact CD1-CZ 4.48Å; L81-F178 HydrophobicContact CD2-CE1 4.49Å; L81-F178 HydrophobicContact CD2-CZ 3.75Å; L81-K182 HydrophobicContact CD2-CD 4.47Å; L81-K182 WeakPolarHBondContact O-CG 3.46Å; L81-Q186 VanDerWaalsContact O-CG 3.31Å; L81-Q186 WeakPolarHBondContact O-CG 3.35Å |
| 82 | C | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -127.5 | 7.2 | -173 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | F63 L78 C185 | F63-C82 HydrophobicContact CE2-CB 3.94Å; F63-C82 HydrophobicContact CZ-CB 3.75Å; L78-C82 HydrophobicContact CD2-CB 4.25Å; L78-C82 CarbonylContact O-C 3.6Å; L78-C82 WeakPolarHBondContact O-CA 3.46Å; L78-C82 WeakPolarHBondContact O-CB 3.39Å; L78-C82 PolarHBondContact O-N 3.32Å; C82-C185 HydrophobicContact CB-CB 3.8Å; C82-C185 WeakPolarHBondContact CB-SG 3.36Å; C82-C185 WeakPolarHBondContact SG-CB 3.34Å; C82-C185 CovalentContact SG-SG 2.02Å; C82-C185 PolarHBondContact SG-SG 3.24Å |
| 83 | S | 95.5 | Very high | 95.5 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -55.7 | 141 | 171.5 | 166.4 | 0 | 0 | 0 | 0 | 110.6 | L78 D79 N85 Q186 | L78-S83 PolarHBondContact O-N 3.37Å; D79-S83 WeakPolarHBondContact O-CB 3.35Å; S83-N85 PolarHBondContact O-N 2.97Å; S83-Q186 WeakPolarHBondContact O-CB 3.44Å; S83-Q186 VanDerWaalsContact O-CG 3.31Å; S83-Q186 WeakPolarHBondContact O-CG 3.01Å |
| 84 | P | 93.7 | Very high | 95.4 | Very high | 52 Ų | 52 | 63 Ų | 63 | 34% | 0.338 | 35% | 0.348 | S | S | . | . | trans | -71.4 | 58.1 | -171.6 | 31.7 | -38.8 | 0 | 0 | 0 | 113.4 | V86 K190 | P84-V86 PolarHBondContact O-N 3.31Å; P84-K190 HydrophobicContact CB-CB 3.99Å; P84-K190 HydrophobicContact CB-CD 4.12Å | ||
| 85 | N | 90.8 | Very high | 95.2 | Very high | 101 Ų | 101 | 71 Ų | 71 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | trans | -100.2 | 64.3 | -175.4 | -170.6 | 21.3 | 0 | 0 | 0 | 111.4 | S83 | S83-N85 PolarHBondContact O-N 2.97Š| ||
| 86 | V | 92.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | trans | -108.3 | 103.4 | 172.6 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | P84 D88 F89 Y111 Q186 L187 K190 | P84-V86 PolarHBondContact O-N 3.31Å; V86-D88 VanDerWaalsContact CG1-OD1 3.31Å; V86-D88 WeakPolarHBondContact CG1-OD1 3.05Å; V86-F89 HydrophobicContact CB-CB 4.28Å; V86-F89 HydrophobicContact CG1-CB 4.04Å; V86-F89 HydrophobicContact CG1-CD2 4.26Å; V86-F89 WeakPolarHBondContact O-CB 3.33Å; V86-Y111 HydrophobicContact CG1-CE1 4.38Å; V86-Y111 VanDerWaalsContact CG1-OH 3.25Å; V86-Y111 WeakPolarHBondContact CG1-OH 3.35Å; V86-Q186 HydrophobicContact CG2-CB 4.41Å; V86-L187 HydrophobicContact CG1-CD1 4.37Å; V86-L187 HydrophobicContact CG2-CB 4.31Å; V86-L187 HydrophobicContact CG2-CD1 4.16Å; V86-K190 HydrophobicContact CB-CB 4.43Å; V86-K190 HydrophobicContact CB-CG 4.31Å; V86-K190 HydrophobicContact CG2-CB 4.08Å; V86-K190 HydrophobicContact CG2-CG 4.5Å | ||
| 87 | T | 89.8 | Confident | 95.1 | Very high | 130 Ų | 130 | 69.1 Ų | 69.1 | 80% | 0.798 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -27.3 | -166.4 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | F89 | T87-F89 VanDerWaalsContact C-N 3.33Š|
| 88 | D | 92.3 | Very high | 95 | Very high | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 9.8 | -179.7 | 64.4 | -47.7 | 0 | 0 | 0 | 112.7 | V86 Y111 P170 | V86-D88 VanDerWaalsContact CG1-OD1 3.31Å; V86-D88 WeakPolarHBondContact CG1-OD1 3.05Å; D88-Y111 VanDerWaalsContact CG-OH 3.22Å; D88-Y111 PolarHBondContact OD1-OH 3.07Å; D88-Y111 VanDerWaalsContact OD1-OH 3.09Å; D88-Y111 VanDerWaalsContact OD2-CE2 3.29Å; D88-Y111 WeakPolarHBondContact OD2-CE2 3.25Å; D88-Y111 PolarHBondContact OD2-OH 3.27Å; D88-P170 WeakPolarHBondContact OD2-CD 3.11Å |
| 89 | F | 95.6 | Very high | 95 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 10% | 0.096 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 131.4 | -178.4 | -163.8 | -85.4 | 0 | 0 | 0 | 111 | V86 T87 I108 Y111 L112 L187 K190 V194 | V86-F89 HydrophobicContact CB-CB 4.28Å; V86-F89 HydrophobicContact CG1-CB 4.04Å; V86-F89 HydrophobicContact CG1-CD2 4.26Å; V86-F89 WeakPolarHBondContact O-CB 3.33Å; T87-F89 VanDerWaalsContact C-N 3.33Å; F89-I108 HydrophobicContact CE1-CD1 4.39Å; F89-I108 HydrophobicContact CE1-CG1 4.05Å; F89-I108 HydrophobicContact CE1-CG2 3.98Å; F89-I108 HydrophobicContact CZ-CG2 3.79Å; F89-Y111 HydrophobicContact CD2-CD1 4.03Å; F89-Y111 AromaticContact CD2-CE1 3.84Å; F89-Y111 HydrophobicContact CD2-CE1 3.84Å; F89-Y111 HydrophobicContact CE2-CD1 4.06Å; F89-Y111 HydrophobicContact CE2-CE1 4.23Å; F89-L112 HydrophobicContact CE2-CD2 3.84Å; F89-L112 HydrophobicContact CE2-CG 4.23Å; F89-L112 HydrophobicContact CZ-CD1 4.43Å; F89-L112 HydrophobicContact CZ-CD2 4.21Å; F89-L112 HydrophobicContact CZ-CG 4.25Å; F89-L187 HydrophobicContact CD2-CD1 4.27Å; F89-L187 HydrophobicContact CE2-CD1 4.24Å; F89-K190 HydrophobicContact CB-CG 4.36Å; F89-K190 HydrophobicContact CD1-CG 4.29Å; F89-K190 HydrophobicContact CD2-CG 3.58Å; F89-K190 HydrophobicContact CE2-CG 3.87Å; F89-K190 HydrophobicContact CG-CD 4.42Å; F89-K190 HydrophobicContact CG-CG 3.8Å; F89-K190 HydrophobicContact CZ-CG 4.35Å; F89-V194 HydrophobicContact CD1-CG2 4.3Å; F89-V194 HydrophobicContact CE1-CB 4.2Å; F89-V194 HydrophobicContact CE1-CG1 3.93Å; F89-V194 HydrophobicContact CE1-CG2 3.75Å; F89-V194 HydrophobicContact CZ-CB 4.32Å; F89-V194 HydrophobicContact CZ-CG1 4.26Å; F89-V194 HydrophobicContact CZ-CG2 4.17Å |
| 90 | P | 96.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 139 | -177.3 | -24.2 | 32.7 | 0 | 0 | 0 | 113 | R107 I108 Y111 | P90-R107 HydrophobicContact CB-CB 4.13Å; P90-R107 HydrophobicContact CG-CB 4.49Å; P90-I108 HydrophobicContact CB-CG1 3.85Å; P90-I108 HydrophobicContact CG-CG1 4.48Å; P90-Y111 HydrophobicContact CG-CD2 3.95Å; P90-Y111 HydrophobicContact CG-CG 4.01Å |
| 91 | P | 96.1 | Very high | 95.2 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 159.5 | -178.5 | 31.1 | -36.1 | 0 | 0 | 0 | 112.1 | ||
| 92 | F | 97.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | trans | -138.1 | 130.7 | 171.4 | -175.8 | -108.5 | 0 | 0 | 0 | 111.4 | A94 R101 E104 I108 V197 L198 A201 F202 | F92-A94 HydrophobicContact CE1-CB 3.98Å; F92-R101 HydrophobicContact CE2-CB 4.16Å; F92-R101 HydrophobicContact CE2-CG 4.29Å; F92-R101 HydrophobicContact CZ-CB 4.47Å; F92-R101 HydrophobicContact CZ-CG 4.3Å; F92-E104 WeakPolarHBondContact CA-OE2 3.45Å; F92-E104 HydrophobicContact CD2-CB 3.97Å; F92-I108 HydrophobicContact CB-CD1 3.76Å; F92-I108 HydrophobicContact CD2-CD1 4.32Å; F92-I108 HydrophobicContact CG-CD1 4.37Å; F92-V197 HydrophobicContact CD1-CG1 4.05Å; F92-V197 HydrophobicContact CE1-CG1 4.22Å; F92-L198 HydrophobicContact CB-CD2 4.43Å; F92-L198 HydrophobicContact CD1-CD2 3.75Å; F92-L198 HydrophobicContact CD2-CD2 3.45Å; F92-L198 VanDerWaalsContact CD2-CD2 3.45Å; F92-L198 HydrophobicContact CE1-CD2 3.77Å; F92-L198 HydrophobicContact CE2-CD2 3.47Å; F92-L198 VanDerWaalsContact CE2-CD2 3.47Å; F92-L198 HydrophobicContact CG-CD2 3.59Å; F92-L198 HydrophobicContact CZ-CD2 3.63Å; F92-A201 HydrophobicContact CE1-CB 3.6Å; F92-A201 HydrophobicContact CZ-CB 3.66Å; F92-F202 AromaticContact CE2-CE2 3.84Å; F92-F202 HydrophobicContact CE2-CE2 3.84Å; F92-F202 HydrophobicContact CE2-CZ 4.44Å; F92-F202 HydrophobicContact CZ-CD2 4.45Å; F92-F202 AromaticContact CZ-CE2 3.79Å; F92-F202 HydrophobicContact CZ-CE2 3.79Å | ||
| 93 | H | 97.5 | Very high | 95.2 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | trans | -116.5 | 99.4 | 179.3 | -58.3 | 95.7 | 0 | 0 | 0 | 110.3 | N95 G96 R101 E104 | H93-N95 PolarHBondContact O-N 3.12Å; H93-N95 VanDerWaalsContact O-N 3.13Å; H93-G96 PolarHBondContact O-N 3.38Å; H93-G96 VanDerWaalsContact O-N 3.08Å; H93-R101 WeakPolarHBondContact O-CG 3.47Å; H93-E104 IonicContact CE1-OE1 3.74Å; H93-E104 IonicContact CG-OE1 3.34Å; H93-E104 IonicContact CG-OE2 2.73Å; H93-E104 PolarHBondContact N-OE2 2.92Å; H93-E104 IonicContact ND1-OE1 3.23Å; H93-E104 PolarHBondContact ND1-OE1 2.99Å; H93-E104 IonicContact ND1-OE2 3.64Å | ||
| 94 | A | 95.1 | Very high | 95.3 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F92 G96 R101 A201 | F92-A94 HydrophobicContact CE1-CB 3.98Å; A94-G96 VanDerWaalsContact C-N 3.33Å; A94-R101 WeakPolarHBondContact O-CD 3.31Å; A94-A201 HydrophobicContact CB-CB 4.26Å |
| 95 | N | 94.5 | Very high | 95.6 | Very high | 171 Ų | 171 | 57.7 Ų | 57.7 | 91% | 0.914 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.9 | -179.6 | -62.1 | -15.2 | 0 | 0 | 0 | 113.5 | H93 | H93-N95 PolarHBondContact O-N 3.12Å; H93-N95 VanDerWaalsContact O-N 3.13Å |
| 96 | G | 94.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -74.7 | 167 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H93 A94 R101 | H93-G96 PolarHBondContact O-N 3.38Å; H93-G96 VanDerWaalsContact O-N 3.08Å; A94-G96 VanDerWaalsContact C-N 3.33Å; G96-R101 PolarHBondContact O-NE 2.89Å; G96-R101 VanDerWaalsContact O-NE 3.15Å |
| 97 | T | 96.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 60% | 0.595 | 31% | 0.308 | S | S | * | . | trans | -58.6 | 157.3 | 170 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | K99 A100 R101 | T97-K99 PolarHBondContact O-N 3.17Å; T97-A100 PolarHBondContact O-N 3.23Å; T97-A100 VanDerWaalsContact O-N 3.08Å; T97-A100 WeakPolarHBondContact OG1-CB 3.32Å; T97-A100 PolarHBondContact OG1-N 2.9Å; T97-R101 WeakPolarHBondContact O-CG 3.04Å; T97-R101 PolarHBondContact O-N 2.98Å | ||
| 98 | E | 96.1 | Very high | 96.5 | Very high | 51 Ų | 51 | 50 Ų | 50 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.3 | -41.1 | 174.6 | 176.4 | -172.3 | 128.8 | 0 | 0 | 111.4 | L102 R154 K158 Y159 | E98-L102 HydrophobicContact CG-CD1 3.84Å; E98-L102 HydrophobicContact CG-CG 4.41Å; E98-L102 WeakPolarHBondContact O-CB 3.42Å; E98-L102 VanDerWaalsContact O-CG 3.25Å; E98-L102 WeakPolarHBondContact O-CG 3.34Å; E98-L102 PolarHBondContact O-N 3.24Å; E98-R154 IonicContact OE1-CZ 3.33Å; E98-R154 IonicContact OE1-NE 3.01Å; E98-R154 PolarHBondContact OE1-NE 2.79Å; E98-R154 IonicContact OE1-NH2 2.78Å; E98-R154 PolarHBondContact OE1-NH2 2.68Å; E98-R154 IonicContact OE2-NH2 3.78Å; E98-K158 VanDerWaalsContact CD-NZ 3.3Å; E98-K158 IonicContact OE1-NZ 2.8Å; E98-K158 PolarHBondContact OE1-NZ 3.05Å; E98-K158 IonicContact OE2-NZ 3.21Å; E98-K158 PolarHBondContact OE2-NZ 3.34Å; E98-Y159 VanDerWaalsContact CB-OH 3.3Å; E98-Y159 WeakPolarHBondContact CB-OH 3.05Å; E98-Y159 HydrophobicContact CG-CE2 4.34Å; E98-Y159 VanDerWaalsContact CG-OH 3.27Å; E98-Y159 WeakPolarHBondContact CG-OH 3.36Å; E98-Y159 PolarHBondContact OE1-OH 3.44Å |
| 99 | K | 96.9 | Very high | 96.7 | Very high | 92 Ų | 92 | 47.2 Ų | 47.2 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -51.8 | 175.3 | -176.4 | 179.3 | 176.3 | 175.5 | 0 | 111.7 | T97 L102 V103 Y159 | T97-K99 PolarHBondContact O-N 3.17Å; K99-L102 PolarHBondContact O-N 3.41Å; K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.46Å; K99-Y159 HydrophobicContact CB-CD1 3.82Å; K99-Y159 HydrophobicContact CB-CD2 4.21Å; K99-Y159 HydrophobicContact CB-CE1 3.72Å; K99-Y159 HydrophobicContact CB-CE2 4.13Å; K99-Y159 HydrophobicContact CB-CG 4.05Å; K99-Y159 HydrophobicContact CD-CD1 3.89Å; K99-Y159 HydrophobicContact CD-CG 4.08Å; K99-Y159 HydrophobicContact CG-CD1 3.96Å; K99-Y159 HydrophobicContact CG-CD2 4.25Å; K99-Y159 HydrophobicContact CG-CE1 4.38Å; K99-Y159 HydrophobicContact CG-CG 3.87Å |
| 100 | A | 97.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T97 L102 V103 E104 | T97-A100 PolarHBondContact O-N 3.23Å; T97-A100 VanDerWaalsContact O-N 3.08Å; T97-A100 WeakPolarHBondContact OG1-CB 3.32Å; T97-A100 PolarHBondContact OG1-N 2.9Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 2.02Å; A100-V103 PolarHBondContact O-N 3.03Å; A100-E104 WeakPolarHBondContact O-CG 3.31Å; A100-E104 PolarHBondContact O-N 3.4Å |
| 101 | R | 97.8 | Very high | 96.8 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 22% | 0.223 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -42 | 177.1 | -70.3 | -172.4 | -70.7 | 165.9 | 6.9 | 112.2 | F92 H93 A94 G96 T97 E104 L105 A201 F202 | F92-R101 HydrophobicContact CE2-CB 4.16Å; F92-R101 HydrophobicContact CE2-CG 4.29Å; F92-R101 HydrophobicContact CZ-CB 4.47Å; F92-R101 HydrophobicContact CZ-CG 4.3Å; H93-R101 WeakPolarHBondContact O-CG 3.47Å; A94-R101 WeakPolarHBondContact O-CD 3.31Å; G96-R101 PolarHBondContact O-NE 2.89Å; G96-R101 VanDerWaalsContact O-NE 3.15Å; T97-R101 WeakPolarHBondContact O-CG 3.04Å; T97-R101 PolarHBondContact O-N 2.98Å; R101-E104 PolarHBondContact O-N 2.96Å; R101-L105 WeakPolarHBondContact O-CB 3.37Å; R101-L105 PolarHBondContact O-N 2.87Å; R101-A201 PolarHBondContact NH1-O 3.09Å; R101-F202 HydrophobicContact CB-CE1 4.2Å; R101-F202 HydrophobicContact CB-CE2 4.29Å; R101-F202 HydrophobicContact CB-CZ 3.62Å |
| 102 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.1 | -74 | 169.7 | 0 | 0 | 0 | 112.5 | M45 I48 E98 K99 A100 L105 Y106 V151 R154 L155 Y159 F202 | M45-L102 HydrophobicContact SD-CD1 4.4Å; M45-L102 HydrophobicContact SD-CD2 4.4Å; I48-L102 HydrophobicContact CD1-CD2 4.08Å; E98-L102 HydrophobicContact CG-CD1 3.84Å; E98-L102 HydrophobicContact CG-CG 4.41Å; E98-L102 WeakPolarHBondContact O-CB 3.42Å; E98-L102 VanDerWaalsContact O-CG 3.25Å; E98-L102 WeakPolarHBondContact O-CG 3.34Å; E98-L102 PolarHBondContact O-N 3.24Å; K99-L102 PolarHBondContact O-N 3.41Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 2.02Å; L102-L105 HydrophobicContact CD2-CD2 4.48Å; L102-Y106 WeakPolarHBondContact O-CB 3.32Å; L102-Y106 PolarHBondContact O-N 2.9Å; L102-V151 HydrophobicContact CB-CG1 4.29Å; L102-V151 HydrophobicContact CD2-CG1 4.15Å; L102-V151 HydrophobicContact CD2-CG2 4.34Å; L102-V151 VanDerWaalsContact O-CG1 3.27Å; L102-V151 WeakPolarHBondContact O-CG1 3.34Å; L102-R154 HydrophobicContact CD1-CB 4.28Å; L102-R154 HydrophobicContact CD1-CG 3.48Å; L102-R154 VanDerWaalsContact CD1-CG 3.48Å; L102-L155 HydrophobicContact CB-CD1 4.44Å; L102-L155 HydrophobicContact CB-CD2 3.66Å; L102-L155 HydrophobicContact CB-CG 4.05Å; L102-L155 HydrophobicContact CD1-CD2 4.47Å; L102-Y159 HydrophobicContact CD1-CD2 4.48Å; L102-Y159 HydrophobicContact CD1-CE2 3.89Å; L102-F202 HydrophobicContact CD2-CE1 3.66Å; L102-F202 HydrophobicContact CD2-CZ 4.24Å; L102-F202 HydrophobicContact CG-CE1 4.02Å |
| 103 | V | 96.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 174.7 | 167.5 | 0 | 0 | 0 | 0 | 110.9 | K99 A100 Y106 R107 L155 V164 | K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.46Å; A100-V103 PolarHBondContact O-N 3.03Å; V103-Y106 WeakPolarHBondContact O-CB 3.49Å; V103-Y106 PolarHBondContact O-N 3.22Å; V103-R107 WeakPolarHBondContact O-CG 3.26Å; V103-R107 PolarHBondContact O-N 2.91Å; V103-R107 VanDerWaalsContact O-N 3.1Å; V103-L155 HydrophobicContact CG2-CD1 4.28Å; V103-L155 HydrophobicContact CG2-CD2 3.8Å; V103-V164 HydrophobicContact CG1-CG1 4.1Å |
| 104 | E | 97.8 | Very high | 96.6 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 177.9 | -69.9 | 177.4 | 170.2 | 0 | 0 | 112 | F92 H93 A100 R101 Y106 R107 I108 | F92-E104 WeakPolarHBondContact CA-OE2 3.45Å; F92-E104 HydrophobicContact CD2-CB 3.97Å; H93-E104 IonicContact CE1-OE1 3.74Å; H93-E104 IonicContact CG-OE1 3.34Å; H93-E104 IonicContact CG-OE2 2.73Å; H93-E104 PolarHBondContact N-OE2 2.92Å; H93-E104 IonicContact ND1-OE1 3.23Å; H93-E104 PolarHBondContact ND1-OE1 2.99Å; H93-E104 IonicContact ND1-OE2 3.64Å; A100-E104 WeakPolarHBondContact O-CG 3.31Å; A100-E104 PolarHBondContact O-N 3.4Å; R101-E104 PolarHBondContact O-N 2.96Å; E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 3.04Å; E104-R107 PolarHBondContact O-N 2.78Å; E104-I108 WeakPolarHBondContact O-CG1 3.48Å; E104-I108 PolarHBondContact O-N 3.1Å |
| 105 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | 172.6 | 175.3 | 60.6 | 0 | 0 | 0 | 111 | I48 L52 R101 L102 R107 I108 I109 V151 L198 F202 | I48-L105 HydrophobicContact CG2-CD2 4.08Å; L52-L105 HydrophobicContact CD1-CD2 4.21Å; L52-L105 HydrophobicContact CD2-CD1 3.99Å; R101-L105 WeakPolarHBondContact O-CB 3.37Å; R101-L105 PolarHBondContact O-N 2.87Å; L102-L105 HydrophobicContact CD2-CD2 4.48Å; L105-R107 VanDerWaalsContact C-N 3.35Å; L105-R107 PolarHBondContact O-N 3.22Å; L105-I108 PolarHBondContact O-N 2.79Å; L105-I109 HydrophobicContact CD1-CD1 3.61Å; L105-I109 HydrophobicContact CD1-CG1 3.91Å; L105-I109 HydrophobicContact CD2-CD1 4.35Å; L105-I109 HydrophobicContact CG-CD1 3.58Å; L105-I109 HydrophobicContact CG-CG1 4.35Å; L105-I109 WeakPolarHBondContact O-CD1 3.29Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.4Å; L105-I109 PolarHBondContact O-N 3.41Å; L105-V151 HydrophobicContact CD2-CG2 3.65Å; L105-V151 HydrophobicContact CG-CG2 4.11Å; L105-L198 HydrophobicContact CD1-CD1 3.83Å; L105-L198 HydrophobicContact CD1-CD2 4.15Å; L105-L198 HydrophobicContact CD1-CG 4.46Å; L105-F202 HydrophobicContact CB-CE2 4.14Å; L105-F202 HydrophobicContact CB-CZ 4.01Å; L105-F202 HydrophobicContact CD2-CD2 4.31Å; L105-F202 HydrophobicContact CD2-CE1 4.19Å; L105-F202 HydrophobicContact CD2-CE2 3.78Å; L105-F202 HydrophobicContact CD2-CZ 3.68Å; L105-F202 HydrophobicContact CG-CE2 4.4Å; L105-F202 HydrophobicContact CG-CZ 4.43Å |
| 106 | Y | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 177.1 | -172.4 | -89.3 | 0 | 0 | 0 | 111.8 | A32 L102 V103 E104 I108 I109 A110 L148 V151 L152 V164 V166 | A32-Y106 WeakPolarHBondContact CB-OH 3.35Å; L102-Y106 WeakPolarHBondContact O-CB 3.32Å; L102-Y106 PolarHBondContact O-N 2.9Å; V103-Y106 WeakPolarHBondContact O-CB 3.49Å; V103-Y106 PolarHBondContact O-N 3.22Å; E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 3.04Å; Y106-I108 PolarHBondContact O-N 3.27Å; Y106-I109 PolarHBondContact O-N 3.48Å; Y106-A110 WeakPolarHBondContact O-CB 3.38Å; Y106-A110 PolarHBondContact O-N 2.89Å; Y106-L148 HydrophobicContact CD1-CD1 4.34Å; Y106-L148 HydrophobicContact CD2-CD1 3.55Å; Y106-L148 HydrophobicContact CD2-CG 4.23Å; Y106-L148 HydrophobicContact CE1-CD1 4.15Å; Y106-L148 HydrophobicContact CE2-CD1 3.26Å; Y106-L148 HydrophobicContact CE2-CG 3.58Å; Y106-L148 HydrophobicContact CG-CD1 4.07Å; Y106-V151 HydrophobicContact CD2-CB 4.35Å; Y106-V151 HydrophobicContact CD2-CG1 4.01Å; Y106-V151 HydrophobicContact CG-CG1 4.41Å; Y106-L152 HydrophobicContact CD2-CB 4.29Å; Y106-L152 HydrophobicContact CE2-CB 3.76Å; Y106-L152 HydrophobicContact CE2-CD1 4.06Å; Y106-L152 HydrophobicContact CE2-CG 4.35Å; Y106-V164 HydrophobicContact CD1-CB 3.61Å; Y106-V164 HydrophobicContact CD1-CG1 3.45Å; Y106-V164 VanDerWaalsContact CD1-CG1 3.45Å; Y106-V164 HydrophobicContact CD1-CG2 4.17Å; Y106-V164 HydrophobicContact CE1-CB 3.84Å; Y106-V164 HydrophobicContact CE1-CG1 4.13Å; Y106-V164 HydrophobicContact CG-CB 4.31Å; Y106-V164 HydrophobicContact CG-CG1 4.14Å; Y106-V164 HydrophobicContact CG-CG2 4.41Å; Y106-V166 HydrophobicContact CD1-CG1 3.85Å; Y106-V166 HydrophobicContact CE1-CG1 3.66Å |
| 107 | R | 97.4 | Very high | 96.6 | Very high | 88 Ų | 88 | 27.7 Ų | 27.7 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 177.1 | -71.1 | 172.5 | 176 | 160.1 | -0.4 | 112.1 | P90 V103 E104 L105 A110 Y111 V164 D165 V166 | P90-R107 HydrophobicContact CB-CB 4.13Å; P90-R107 HydrophobicContact CG-CB 4.49Å; V103-R107 WeakPolarHBondContact O-CG 3.26Å; V103-R107 PolarHBondContact O-N 2.91Å; V103-R107 VanDerWaalsContact O-N 3.1Å; E104-R107 PolarHBondContact O-N 2.78Å; L105-R107 VanDerWaalsContact C-N 3.35Å; L105-R107 PolarHBondContact O-N 3.22Å; R107-A110 PolarHBondContact O-N 3.33Å; R107-Y111 WeakPolarHBondContact O-CB 3.4Å; R107-Y111 PolarHBondContact O-N 2.7Å; R107-V164 HydrophobicContact CG-CG1 4.22Å; R107-D165 WeakPolarHBondContact CG-O 3.38Å; R107-D165 PolarHBondContact NE-O 3.43Å; R107-V166 HydrophobicContact CG-CG1 4.42Å |
| 108 | I | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.3 | -70.1 | 168.2 | 0 | 0 | 0 | 111.3 | F89 P90 F92 E104 L105 Y106 Y111 L112 V194 L198 | F89-I108 HydrophobicContact CE1-CD1 4.39Å; F89-I108 HydrophobicContact CE1-CG1 4.05Å; F89-I108 HydrophobicContact CE1-CG2 3.98Å; F89-I108 HydrophobicContact CZ-CG2 3.79Å; P90-I108 HydrophobicContact CB-CG1 3.85Å; P90-I108 HydrophobicContact CG-CG1 4.48Å; F92-I108 HydrophobicContact CB-CD1 3.76Å; F92-I108 HydrophobicContact CD2-CD1 4.32Å; F92-I108 HydrophobicContact CG-CD1 4.37Å; E104-I108 WeakPolarHBondContact O-CG1 3.48Å; E104-I108 PolarHBondContact O-N 3.1Å; L105-I108 PolarHBondContact O-N 2.79Å; Y106-I108 PolarHBondContact O-N 3.27Å; I108-Y111 PolarHBondContact O-N 3.12Å; I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CB 3.01Å; I108-L112 VanDerWaalsContact O-CG 3.29Å; I108-L112 WeakPolarHBondContact O-CG 3.19Å; I108-L112 PolarHBondContact O-N 3.42Å; I108-V194 HydrophobicContact CD1-CG1 4.27Å; I108-V194 HydrophobicContact CG2-CG1 4.33Å; I108-L198 HydrophobicContact CD1-CD1 4.48Å; I108-L198 HydrophobicContact CD1-CD2 4.3Å; I108-L198 HydrophobicContact CG2-CD1 4.06Å |
| 109 | I | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | -179.9 | -63.1 | 156.1 | 0 | 0 | 0 | 110.8 | L105 Y106 L112 G113 L144 L147 L148 V151 | L105-I109 HydrophobicContact CD1-CD1 3.61Å; L105-I109 HydrophobicContact CD1-CG1 3.91Å; L105-I109 HydrophobicContact CD2-CD1 4.35Å; L105-I109 HydrophobicContact CG-CD1 3.58Å; L105-I109 HydrophobicContact CG-CG1 4.35Å; L105-I109 WeakPolarHBondContact O-CD1 3.29Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.4Å; L105-I109 PolarHBondContact O-N 3.41Å; Y106-I109 PolarHBondContact O-N 3.48Å; I109-L112 PolarHBondContact O-N 3.41Å; I109-G113 PolarHBondContact O-N 2.99Å; I109-L144 HydrophobicContact CG1-CD2 4.39Å; I109-L144 HydrophobicContact CG2-CB 4Å; I109-L144 HydrophobicContact CG2-CD2 3.96Å; I109-L144 VanDerWaalsContact CG2-O 3.26Å; I109-L144 WeakPolarHBondContact CG2-O 3.47Å; I109-L147 HydrophobicContact CD1-CB 4.26Å; I109-L147 HydrophobicContact CD1-CD1 4.49Å; I109-L147 HydrophobicContact CD1-CD2 3.43Å; I109-L147 VanDerWaalsContact CD1-CD2 3.43Å; I109-L147 HydrophobicContact CD1-CG 3.41Å; I109-L147 VanDerWaalsContact CD1-CG 3.41Å; I109-L147 HydrophobicContact CG1-CD2 3.83Å; I109-L147 HydrophobicContact CG1-CG 4.28Å; I109-L148 HydrophobicContact CB-CD1 4.02Å; I109-L148 HydrophobicContact CG2-CB 3.81Å; I109-L148 HydrophobicContact CG2-CD1 3.85Å; I109-L148 HydrophobicContact CG2-CG 4.42Å; I109-V151 HydrophobicContact CD1-CG2 4.14Å |
| 110 | A | 96.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y106 R107 G113 A114 L148 V166 | Y106-A110 WeakPolarHBondContact O-CB 3.38Å; Y106-A110 PolarHBondContact O-N 2.89Å; R107-A110 PolarHBondContact O-N 3.33Å; A110-G113 PolarHBondContact O-N 3.45Å; A110-A114 PolarHBondContact O-N 3.44Å; A110-A114 VanDerWaalsContact O-N 3.14Å; A110-L148 HydrophobicContact CB-CD1 4.15Å; A110-V166 HydrophobicContact CB-CB 4.18Å; A110-V166 HydrophobicContact CB-CG1 3.75Å |
| 111 | Y | 96.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 175.4 | -176.3 | -78 | 0 | 0 | 0 | 112 | V86 D88 F89 P90 R107 I108 S115 T167 G169 L187 | V86-Y111 HydrophobicContact CG1-CE1 4.38Å; V86-Y111 VanDerWaalsContact CG1-OH 3.25Å; V86-Y111 WeakPolarHBondContact CG1-OH 3.35Å; D88-Y111 VanDerWaalsContact CG-OH 3.22Å; D88-Y111 PolarHBondContact OD1-OH 3.07Å; D88-Y111 VanDerWaalsContact OD1-OH 3.09Å; D88-Y111 VanDerWaalsContact OD2-CE2 3.29Å; D88-Y111 WeakPolarHBondContact OD2-CE2 3.25Å; D88-Y111 PolarHBondContact OD2-OH 3.27Å; F89-Y111 HydrophobicContact CD2-CD1 4.03Å; F89-Y111 AromaticContact CD2-CE1 3.84Å; F89-Y111 HydrophobicContact CD2-CE1 3.84Å; F89-Y111 HydrophobicContact CE2-CD1 4.06Å; F89-Y111 HydrophobicContact CE2-CE1 4.23Å; P90-Y111 HydrophobicContact CG-CD2 3.95Å; P90-Y111 HydrophobicContact CG-CG 4.01Å; R107-Y111 WeakPolarHBondContact O-CB 3.4Å; R107-Y111 PolarHBondContact O-N 2.7Å; I108-Y111 PolarHBondContact O-N 3.12Å; Y111-S115 WeakPolarHBondContact O-CB 3.44Å; Y111-S115 PolarHBondContact O-N 2.96Å; Y111-S115 VanDerWaalsContact O-N 3.09Å; Y111-S115 PolarHBondContact O-OG 3.36Å; Y111-T167 WeakPolarHBondContact CD2-O 3.47Å; Y111-G169 VanDerWaalsContact CE2-N 3.31Å; Y111-L187 HydrophobicContact CD1-CD1 4.46Å; Y111-L187 HydrophobicContact CE1-CD1 3.75Å |
| 112 | L | 97 | Very high | 96.2 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 179.3 | -74.7 | 171.9 | 0 | 0 | 0 | 111.8 | F89 I108 I109 S115 L116 L144 L187 Y191 | F89-L112 HydrophobicContact CE2-CD2 3.84Å; F89-L112 HydrophobicContact CE2-CG 4.23Å; F89-L112 HydrophobicContact CZ-CD1 4.43Å; F89-L112 HydrophobicContact CZ-CD2 4.21Å; F89-L112 HydrophobicContact CZ-CG 4.25Å; I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CB 3.01Å; I108-L112 VanDerWaalsContact O-CG 3.29Å; I108-L112 WeakPolarHBondContact O-CG 3.19Å; I108-L112 PolarHBondContact O-N 3.42Å; I109-L112 PolarHBondContact O-N 3.41Å; L112-S115 PolarHBondContact O-N 3.14Å; L112-L116 VanDerWaalsContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 3.13Å; L112-L144 HydrophobicContact CB-CD1 3.94Å; L112-L187 HydrophobicContact CD2-CD1 4.31Å; L112-Y191 HydrophobicContact CD1-CD2 3.71Å; L112-Y191 HydrophobicContact CD1-CE2 4.32Å; L112-Y191 HydrophobicContact CD2-CD2 4.12Å; L112-Y191 HydrophobicContact CD2-CG 4.31Å |
| 113 | G | 96.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 22% | 0.216 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I109 A110 G117 | I109-G113 PolarHBondContact O-N 2.99Å; A110-G113 PolarHBondContact O-N 3.45Å; G113-G117 PolarHBondContact O-N 2.8Å; G113-G117 VanDerWaalsContact O-N 3.14Å |
| 114 | A | 94.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A110 L116 G117 N118 Y168 | A110-A114 PolarHBondContact O-N 3.44Å; A110-A114 VanDerWaalsContact O-N 3.14Å; A114-L116 PolarHBondContact O-N 3.45Å; A114-G117 WeakPolarHBondContact O-CA 3.32Å; A114-G117 PolarHBondContact O-N 3.48Å; A114-G117 VanDerWaalsContact O-N 3.13Å; A114-N118 PolarHBondContact O-N 3.46Å; A114-Y168 HydrophobicContact CB-CD1 3.5Å; A114-Y168 VanDerWaalsContact CB-CD1 3.5Å; A114-Y168 HydrophobicContact CB-CE1 4Å; A114-Y168 HydrophobicContact CB-CG 4.44Å |
| 115 | S | 94.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67 | -37.7 | -177.7 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | Y111 L112 G117 N118 I119 | Y111-S115 WeakPolarHBondContact O-CB 3.44Å; Y111-S115 PolarHBondContact O-N 2.96Å; Y111-S115 VanDerWaalsContact O-N 3.09Å; Y111-S115 PolarHBondContact O-OG 3.36Å; L112-S115 PolarHBondContact O-N 3.14Å; S115-G117 VanDerWaalsContact C-N 3.29Å; S115-G117 PolarHBondContact O-N 3.32Å; S115-N118 PolarHBondContact O-N 2.94Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.24Å |
| 116 | L | 95.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | 172.2 | -77.3 | -178.1 | 0 | 0 | 0 | 112.1 | L112 A114 N118 I119 T120 L137 T140 L144 L188 | L112-L116 VanDerWaalsContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 3.13Å; A114-L116 PolarHBondContact O-N 3.45Å; L116-N118 VanDerWaalsContact C-N 3.34Å; L116-I119 HydrophobicContact CD2-CD1 4.42Å; L116-I119 PolarHBondContact O-N 3.17Å; L116-T120 VanDerWaalsContact O-CB 3.29Å; L116-T120 WeakPolarHBondContact O-CB 2.96Å; L116-T120 PolarHBondContact O-N 3.46Å; L116-T120 PolarHBondContact O-OG1 2.88Å; L116-L137 HydrophobicContact CD2-CD2 3.79Å; L116-T140 HydrophobicContact CD1-CG2 3.66Å; L116-L144 HydrophobicContact CD1-CD1 3.49Å; L116-L144 VanDerWaalsContact CD1-CD1 3.49Å; L116-L188 HydrophobicContact CD2-CD2 3.7Å |
| 117 | G | 93.8 | Very high | 96.2 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59 | -45.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G113 A114 S115 T120 R121 | G113-G117 PolarHBondContact O-N 2.8Å; G113-G117 VanDerWaalsContact O-N 3.14Å; A114-G117 WeakPolarHBondContact O-CA 3.32Å; A114-G117 PolarHBondContact O-N 3.48Å; A114-G117 VanDerWaalsContact O-N 3.13Å; S115-G117 VanDerWaalsContact C-N 3.29Å; S115-G117 PolarHBondContact O-N 3.32Å; G117-T120 PolarHBondContact O-N 2.84Å; G117-R121 PolarHBondContact O-N 3.37Å; G117-R121 VanDerWaalsContact O-N 3.1Å |
| 118 | N | 93.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 175.6 | -68.4 | -22.7 | 0 | 0 | 0 | 111.7 | A114 S115 L116 T120 R121 D122 | A114-N118 PolarHBondContact O-N 3.46Å; S115-N118 PolarHBondContact O-N 2.94Å; L116-N118 VanDerWaalsContact C-N 3.34Å; N118-T120 VanDerWaalsContact C-N 3.29Å; N118-T120 PolarHBondContact O-N 2.94Å; N118-R121 WeakPolarHBondContact O-CB 3.46Å; N118-R121 PolarHBondContact O-N 3.36Å; N118-R121 VanDerWaalsContact O-N 3.12Å; N118-D122 PolarHBondContact O-N 2.97Å |
| 119 | I | 96 | Very high | 96.2 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 176.8 | -70.8 | 172.1 | 0 | 0 | 0 | 111.2 | Y66 S115 L116 R121 D122 Q123 L137 L187 L188 | Y66-I119 HydrophobicContact CD2-CG2 4.17Å; Y66-I119 HydrophobicContact CE2-CG2 3.58Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.24Å; L116-I119 HydrophobicContact CD2-CD1 4.42Å; L116-I119 PolarHBondContact O-N 3.17Å; I119-R121 VanDerWaalsContact C-N 3.32Å; I119-R121 PolarHBondContact O-N 2.87Å; I119-D122 PolarHBondContact O-N 2.84Å; I119-Q123 HydrophobicContact CG2-CG 3.97Å; I119-Q123 WeakPolarHBondContact O-CB 3.4Å; I119-Q123 WeakPolarHBondContact O-CG 3.49Å; I119-Q123 PolarHBondContact O-N 3.42Å; I119-L137 HydrophobicContact CG2-CD1 4.16Å; I119-L137 HydrophobicContact CG2-CD2 4.01Å; I119-L187 HydrophobicContact CD1-CB 4.37Å; I119-L187 HydrophobicContact CD1-CD2 3.68Å; I119-L188 HydrophobicContact CD1-CG 4.42Å |
| 120 | T | 96.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 13% | 0.129 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | -180 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L116 G117 N118 K124 | L116-T120 VanDerWaalsContact O-CB 3.29Å; L116-T120 WeakPolarHBondContact O-CB 2.96Å; L116-T120 PolarHBondContact O-N 3.46Å; L116-T120 PolarHBondContact O-OG1 2.88Å; G117-T120 PolarHBondContact O-N 2.84Å; N118-T120 VanDerWaalsContact C-N 3.29Å; N118-T120 PolarHBondContact O-N 2.94Å; T120-K124 WeakPolarHBondContact O-CG 3.45Å; T120-K124 PolarHBondContact O-N 3.4Å; T120-K124 VanDerWaalsContact O-N 3.12Å |
| 121 | R | 94.8 | Very high | 96.3 | Very high | 150 Ų | 150 | 51.6 Ų | 51.6 | 57% | 0.566 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62 | -47.4 | 176 | -170.8 | -172.8 | -59.4 | 148.5 | 4.6 | 111 | G117 N118 I119 K124 | G117-R121 PolarHBondContact O-N 3.37Å; G117-R121 VanDerWaalsContact O-N 3.1Å; N118-R121 WeakPolarHBondContact O-CB 3.46Å; N118-R121 PolarHBondContact O-N 3.36Å; N118-R121 VanDerWaalsContact O-N 3.12Å; I119-R121 VanDerWaalsContact C-N 3.32Å; I119-R121 PolarHBondContact O-N 2.87Å; R121-K124 PolarHBondContact O-N 3.47Å |
| 122 | D | 96 | Very high | 96.4 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 178.6 | -71.7 | -23.5 | 0 | 0 | 0 | 111.4 | N118 I119 K124 V125 L126 | N118-D122 PolarHBondContact O-N 2.97Å; I119-D122 PolarHBondContact O-N 2.84Å; D122-K124 VanDerWaalsContact C-N 3.3Å; D122-K124 PolarHBondContact O-N 3.27Å; D122-V125 PolarHBondContact O-N 3.37Å; D122-L126 HydrophobicContact CB-CD1 4.28Å; D122-L126 WeakPolarHBondContact O-CB 3.24Å; D122-L126 VanDerWaalsContact O-CG 3.28Å; D122-L126 WeakPolarHBondContact O-CG 3.38Å; D122-L126 PolarHBondContact O-N 3Å |
| 123 | Q | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -27.6 | -177.1 | -69.3 | -61.7 | -50.2 | 0 | 0 | 113.7 | Y66 Q70 I119 V125 N127 L133 H134 L137 | Y66-Q123 HydrophobicContact CD2-CG 4.22Å; Y66-Q123 VanDerWaalsContact CE2-CD 3.5Å; Y66-Q123 HydrophobicContact CE2-CG 3.66Å; Y66-Q123 VanDerWaalsContact CE2-NE2 3.35Å; Y66-Q123 PolarHBondContact OH-NE2 3.38Å; Q70-Q123 VanDerWaalsContact OE1-NE2 3.07Å; I119-Q123 HydrophobicContact CG2-CG 3.97Å; I119-Q123 WeakPolarHBondContact O-CB 3.4Å; I119-Q123 WeakPolarHBondContact O-CG 3.49Å; I119-Q123 PolarHBondContact O-N 3.42Å; Q123-V125 VanDerWaalsContact C-N 3.28Å; Q123-V125 PolarHBondContact O-N 3.3Å; Q123-N127 CarbonylContact O-C 3.58Å; Q123-N127 WeakPolarHBondContact O-CA 3.38Å; Q123-N127 PolarHBondContact O-N 3.37Å; Q123-N127 PolarHBondContact OE1-ND2 3.31Å; Q123-L133 HydrophobicContact CB-CD2 4.34Å; Q123-L133 HydrophobicContact CG-CD2 4.07Å; Q123-H134 PolarHBondContact O-NE2 2.9Å; Q123-H134 VanDerWaalsContact O-NE2 3.12Å; Q123-L137 HydrophobicContact CB-CD1 4.29Å; Q123-L137 HydrophobicContact CG-CD1 4.29Å |
| 124 | K | 97.1 | Very high | 96.6 | Very high | 126 Ų | 126 | 53.8 Ų | 53.8 | 55% | 0.548 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.6 | -32.2 | 172.1 | -78.6 | 179.4 | 177.2 | -175.7 | 0 | 112.7 | T120 R121 D122 | T120-K124 WeakPolarHBondContact O-CG 3.45Å; T120-K124 PolarHBondContact O-N 3.4Å; T120-K124 VanDerWaalsContact O-N 3.12Å; R121-K124 PolarHBondContact O-N 3.47Å; D122-K124 VanDerWaalsContact C-N 3.3Å; D122-K124 PolarHBondContact O-N 3.27Å |
| 125 | V | 96.6 | Very high | 96.8 | Very high | 118 Ų | 118 | 56.2 Ų | 56.2 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -85.9 | -46 | 178 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | D122 Q123 | D122-V125 PolarHBondContact O-N 3.37Å; Q123-V125 VanDerWaalsContact C-N 3.28Å; Q123-V125 PolarHBondContact O-N 3.3Å |
| 126 | L | 96.9 | Very high | 96.9 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.4 | -37.1 | -173.7 | -64 | 178.3 | 0 | 0 | 0 | 113.1 | D122 V177 K181 | D122-L126 HydrophobicContact CB-CD1 4.28Å; D122-L126 WeakPolarHBondContact O-CB 3.24Å; D122-L126 VanDerWaalsContact O-CG 3.28Å; D122-L126 WeakPolarHBondContact O-CG 3.38Å; D122-L126 PolarHBondContact O-N 3Å; L126-V177 HydrophobicContact CD1-CG1 4.26Å; L126-V177 HydrophobicContact CD2-CB 4.42Å; L126-V177 HydrophobicContact CD2-CG1 3.55Å; L126-V177 HydrophobicContact CD2-CG2 4.09Å; L126-K181 HydrophobicContact CD1-CG 3.97Å |
| 127 | N | 98 | Very high | 97.1 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 15% | 0.15 | 31% | 0.306 | C | S | . | . | trans | -134.8 | 67.4 | -174.8 | -61.8 | -54.5 | 0 | 0 | 0 | 110.1 | A69 Q70 Q123 Y129 A130 H134 | A69-N127 VanDerWaalsContact O-CG 3.28Å; A69-N127 PolarHBondContact O-ND2 3.48Å; A69-N127 PolarHBondContact O-OD1 2.82Å; Q70-N127 PolarHBondContact OE1-ND2 2.94Å; Q123-N127 CarbonylContact O-C 3.58Å; Q123-N127 WeakPolarHBondContact O-CA 3.38Å; Q123-N127 PolarHBondContact O-N 3.37Å; Q123-N127 PolarHBondContact OE1-ND2 3.31Å; N127-Y129 PolarHBondContact O-N 2.91Å; N127-Y129 VanDerWaalsContact O-N 3.16Å; N127-A130 HydrophobicContact CB-CB 3.87Å; N127-A130 WeakPolarHBondContact O-CB 3.39Å; N127-A130 PolarHBondContact O-N 2.89Å; N127-H134 PolarHBondContact O-CE1 3.37Å; N127-H134 PolarHBondContact O-NE2 3.21Å | ||
| 128 | P | 98 | Very high | 97.2 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26 | -170.3 | 24 | -34.5 | 0 | 0 | 0 | 114 | H134 | P128-H134 PolarHBondContact O-CE1 3.23Š|
| 129 | Y | 98 | Very high | 97.5 | Very high | 199 Ų | 199 | 60.8 Ų | 60.8 | 78% | 0.78 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0.7 | -180 | -53.3 | -66.2 | 0 | 0 | 0 | 113.8 | N127 H131 | N127-Y129 PolarHBondContact O-N 2.91Å; N127-Y129 VanDerWaalsContact O-N 3.16Å; Y129-H131 PolarHBondContact O-N 3.35Å |
| 130 | A | 98 | Very high | 97.6 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | trans | -80.2 | 55 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A69 N127 G132 L133 H134 | A69-A130 HydrophobicContact CB-CB 4.09Å; N127-A130 HydrophobicContact CB-CB 3.87Å; N127-A130 WeakPolarHBondContact O-CB 3.39Å; N127-A130 PolarHBondContact O-N 2.89Å; A130-G132 VanDerWaalsContact C-N 3.27Å; A130-G132 PolarHBondContact O-N 3.4Å; A130-L133 HydrophobicContact CB-CB 4.07Å; A130-L133 HydrophobicContact CB-CD2 4.49Å; A130-L133 WeakPolarHBondContact O-CA 3.43Å; A130-L133 WeakPolarHBondContact O-CB 3.37Å; A130-L133 PolarHBondContact O-N 2.77Å; A130-H134 PolarHBondContact O-CD2 2.94Å; A130-H134 PolarHBondContact O-N 3.42Å | ||
| 131 | H | 97.8 | Very high | 97.7 | Very high | 130 Ų | 130 | 60.3 Ų | 60.3 | 60% | 0.602 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.5 | -38.3 | -173.9 | -60.1 | -53.8 | 0 | 0 | 0 | 113.4 | Y129 L133 H134 S135 | Y129-H131 PolarHBondContact O-N 3.35Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 2.89Å; H131-H134 PolarHBondContact O-N 3.25Å; H131-S135 WeakPolarHBondContact O-CB 3.28Å; H131-S135 PolarHBondContact O-N 3.31Å |
| 132 | G | 98.1 | Very high | 97.8 | Very high | 45 Ų | 45 | 56.9 Ų | 56.9 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A130 K136 | A130-G132 VanDerWaalsContact C-N 3.27Å; A130-G132 PolarHBondContact O-N 3.4Å; G132-K136 WeakPolarHBondContact O-CB 3.41Å; G132-K136 PolarHBondContact O-N 2.89Å; G132-K136 VanDerWaalsContact O-N 3.1Å |
| 133 | L | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 174.3 | 174 | 60 | 0 | 0 | 0 | 111.1 | L62 L65 Y66 A69 Q123 A130 H131 S135 K136 L137 | L62-L133 HydrophobicContact CD1-CD1 3.92Å; L65-L133 HydrophobicContact CB-CB 4.42Å; L65-L133 HydrophobicContact CB-CD1 4.15Å; Y66-L133 HydrophobicContact CD2-CD1 4.15Å; Y66-L133 HydrophobicContact CD2-CD2 4.1Å; A69-L133 HydrophobicContact CB-CD2 3.73Å; Q123-L133 HydrophobicContact CB-CD2 4.34Å; Q123-L133 HydrophobicContact CG-CD2 4.07Å; A130-L133 HydrophobicContact CB-CB 4.07Å; A130-L133 HydrophobicContact CB-CD2 4.49Å; A130-L133 WeakPolarHBondContact O-CA 3.43Å; A130-L133 WeakPolarHBondContact O-CB 3.37Å; A130-L133 PolarHBondContact O-N 2.77Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 2.89Å; L133-S135 PolarHBondContact O-N 3.3Å; L133-K136 PolarHBondContact O-N 3.44Å; L133-L137 HydrophobicContact CD1-CD1 3.88Å; L133-L137 HydrophobicContact CD1-CG 3.94Å; L133-L137 HydrophobicContact CG-CD1 3.85Å; L133-L137 HydrophobicContact CG-CG 4.37Å; L133-L137 WeakPolarHBondContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 3.15Å |
| 134 | H | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 13% | 0.125 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | -179.1 | -58.2 | 165.9 | 0 | 0 | 0 | 111.9 | Q123 N127 P128 A130 H131 K136 L137 S138 | Q123-H134 PolarHBondContact O-NE2 2.9Å; Q123-H134 VanDerWaalsContact O-NE2 3.12Å; N127-H134 PolarHBondContact O-CE1 3.37Å; N127-H134 PolarHBondContact O-NE2 3.21Å; P128-H134 PolarHBondContact O-CE1 3.23Å; A130-H134 PolarHBondContact O-CD2 2.94Å; A130-H134 PolarHBondContact O-N 3.42Å; H131-H134 PolarHBondContact O-N 3.25Å; H134-K136 VanDerWaalsContact C-N 3.35Å; H134-K136 PolarHBondContact O-N 3.07Å; H134-L137 PolarHBondContact O-N 3.34Å; H134-S138 PolarHBondContact O-N 3.08Å |
| 135 | S | 98.2 | Very high | 97.9 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.9 | 177 | 0 | 0 | 0 | 0 | 111.5 | H131 L133 S138 T139 | H131-S135 WeakPolarHBondContact O-CB 3.28Å; H131-S135 PolarHBondContact O-N 3.31Å; L133-S135 PolarHBondContact O-N 3.3Å; S135-S138 PolarHBondContact O-N 3.25Å; S135-T139 WeakPolarHBondContact O-CB 3.19Å; S135-T139 PolarHBondContact O-N 3.45Å; S135-T139 PolarHBondContact O-OG1 3.31Å |
| 136 | K | 98.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 179.3 | -161.1 | 71.5 | 170.4 | -166 | 0 | 112.1 | S61 L62 L65 G132 L133 H134 S138 T139 T140 | S61-K136 WeakPolarHBondContact OG-CE 3.26Å; S61-K136 PolarHBondContact OG-NZ 2.92Å; S61-K136 VanDerWaalsContact OG-NZ 3.09Å; L62-K136 HydrophobicContact CB-CG 3.86Å; L62-K136 HydrophobicContact CD1-CB 3.95Å; L62-K136 HydrophobicContact CD1-CG 3.79Å; L62-K136 HydrophobicContact CG-CG 4.36Å; L65-K136 HydrophobicContact CD1-CB 3.98Å; L65-K136 HydrophobicContact CD1-CG 4.14Å; G132-K136 WeakPolarHBondContact O-CB 3.41Å; G132-K136 PolarHBondContact O-N 2.89Å; G132-K136 VanDerWaalsContact O-N 3.1Å; L133-K136 PolarHBondContact O-N 3.44Å; H134-K136 VanDerWaalsContact C-N 3.35Å; H134-K136 PolarHBondContact O-N 3.07Å; K136-S138 PolarHBondContact O-N 3.41Å; K136-T139 PolarHBondContact O-N 2.71Å; K136-T140 WeakPolarHBondContact O-CB 3.46Å; K136-T140 PolarHBondContact O-N 2.92Å; K136-T140 PolarHBondContact O-OG1 3.27Å; K136-T140 VanDerWaalsContact O-OG1 3.07Å |
| 137 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.6 | -75.7 | 168.4 | 0 | 0 | 0 | 111.7 | L62 L116 I119 Q123 L133 H134 T140 A141 | L62-L137 HydrophobicContact CD1-CD2 3.82Å; L62-L137 HydrophobicContact CD1-CG 3.93Å; L62-L137 HydrophobicContact CD2-CD2 4.39Å; L116-L137 HydrophobicContact CD2-CD2 3.79Å; I119-L137 HydrophobicContact CG2-CD1 4.16Å; I119-L137 HydrophobicContact CG2-CD2 4.01Å; Q123-L137 HydrophobicContact CB-CD1 4.29Å; Q123-L137 HydrophobicContact CG-CD1 4.29Å; L133-L137 HydrophobicContact CD1-CD1 3.88Å; L133-L137 HydrophobicContact CD1-CG 3.94Å; L133-L137 HydrophobicContact CG-CD1 3.85Å; L133-L137 HydrophobicContact CG-CG 4.37Å; L133-L137 WeakPolarHBondContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 3.15Å; H134-L137 PolarHBondContact O-N 3.34Å; L137-T140 PolarHBondContact O-N 2.91Å; L137-A141 WeakPolarHBondContact O-CB 3.46Å; L137-A141 PolarHBondContact O-N 3.24Å |
| 138 | S | 97.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 50 Ų | 50 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 177.6 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | H134 S135 K136 T140 A141 D142 | H134-S138 PolarHBondContact O-N 3.08Å; S135-S138 PolarHBondContact O-N 3.25Å; K136-S138 PolarHBondContact O-N 3.41Å; S138-T140 VanDerWaalsContact C-N 3.34Å; S138-T140 PolarHBondContact O-N 3.03Å; S138-A141 WeakPolarHBondContact O-CB 3.35Å; S138-A141 PolarHBondContact O-N 3.15Å; S138-A141 VanDerWaalsContact O-N 3.13Å; S138-D142 VanDerWaalsContact O-CG 3.24Å; S138-D142 PolarHBondContact O-N 2.89Å |
| 139 | T | 97.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 180 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | S135 K136 D142 V143 | S135-T139 WeakPolarHBondContact O-CB 3.19Å; S135-T139 PolarHBondContact O-N 3.45Å; S135-T139 PolarHBondContact O-OG1 3.31Å; K136-T139 PolarHBondContact O-N 2.71Å; T139-D142 PolarHBondContact O-N 2.78Å; T139-V143 WeakPolarHBondContact O-CG2 3.27Å; T139-V143 PolarHBondContact O-N 2.79Å; T139-V143 VanDerWaalsContact O-N 3.1Å |
| 140 | T | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.6 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | L55 L62 L116 K136 L137 S138 D142 V143 L144 Y191 | L55-T140 HydrophobicContact CD2-CG2 3.9Å; L62-T140 HydrophobicContact CD2-CG2 4.11Å; L116-T140 HydrophobicContact CD1-CG2 3.66Å; K136-T140 WeakPolarHBondContact O-CB 3.46Å; K136-T140 PolarHBondContact O-N 2.92Å; K136-T140 PolarHBondContact O-OG1 3.27Å; K136-T140 VanDerWaalsContact O-OG1 3.07Å; L137-T140 PolarHBondContact O-N 2.91Å; S138-T140 VanDerWaalsContact C-N 3.34Å; S138-T140 PolarHBondContact O-N 3.03Å; T140-D142 VanDerWaalsContact C-N 3.32Å; T140-D142 PolarHBondContact O-N 3.46Å; T140-V143 PolarHBondContact O-N 2.9Å; T140-L144 HydrophobicContact CG2-CD1 4.4Å; T140-L144 WeakPolarHBondContact O-CG 3.26Å; T140-L144 PolarHBondContact O-N 3.14Å; T140-Y191 HydrophobicContact CG2-CE1 4.36Å |
| 141 | A | 98 | Very high | 97.4 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L137 S138 L144 R145 | L137-A141 WeakPolarHBondContact O-CB 3.46Å; L137-A141 PolarHBondContact O-N 3.24Å; S138-A141 WeakPolarHBondContact O-CB 3.35Å; S138-A141 PolarHBondContact O-N 3.15Å; S138-A141 VanDerWaalsContact O-N 3.13Å; A141-L144 PolarHBondContact O-N 3.37Å; A141-R145 PolarHBondContact O-N 3.34Å |
| 142 | D | 97.7 | Very high | 97.2 | Very high | 77 Ų | 77 | 35.6 Ų | 35.6 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 177.4 | -66.7 | -29.6 | 0 | 0 | 0 | 111.9 | S138 T139 T140 R145 G146 | S138-D142 VanDerWaalsContact O-CG 3.24Å; S138-D142 PolarHBondContact O-N 2.89Å; T139-D142 PolarHBondContact O-N 2.78Å; T140-D142 VanDerWaalsContact C-N 3.32Å; T140-D142 PolarHBondContact O-N 3.46Å; D142-R145 PolarHBondContact O-N 2.83Å; D142-R145 IonicContact OD1-CZ 3.57Å; D142-R145 IonicContact OD1-NH1 2.7Å; D142-R145 PolarHBondContact OD1-NH1 3.34Å; D142-R145 IonicContact OD1-NH2 3.51Å; D142-G146 PolarHBondContact O-N 3.4Å |
| 143 | V | 98.2 | Very high | 97 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 111 | Q51 L55 T139 T140 R145 G146 L147 | Q51-V143 HydrophobicContact CB-CG1 4.1Å; Q51-V143 HydrophobicContact CG-CG1 4.27Å; L55-V143 HydrophobicContact CD1-CG1 4.05Å; L55-V143 HydrophobicContact CD2-CB 3.91Å; L55-V143 HydrophobicContact CD2-CG1 3.8Å; L55-V143 HydrophobicContact CG-CB 4.3Å; L55-V143 HydrophobicContact CG-CG1 3.61Å; T139-V143 WeakPolarHBondContact O-CG2 3.27Å; T139-V143 PolarHBondContact O-N 2.79Å; T139-V143 VanDerWaalsContact O-N 3.1Å; T140-V143 PolarHBondContact O-N 2.9Å; V143-R145 VanDerWaalsContact C-N 3.33Å; V143-R145 PolarHBondContact O-N 3.24Å; V143-G146 PolarHBondContact O-N 3.31Å; V143-L147 WeakPolarHBondContact O-CB 3.38Å; V143-L147 PolarHBondContact O-N 3.15Å |
| 144 | L | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 174.6 | -72 | 175.2 | 0 | 0 | 0 | 112 | L55 I109 L112 L116 T140 A141 L147 L148 | L55-L144 HydrophobicContact CD1-CD2 3.73Å; L55-L144 HydrophobicContact CD2-CD2 4.13Å; L55-L144 HydrophobicContact CD2-CG 4.16Å; I109-L144 HydrophobicContact CG1-CD2 4.39Å; I109-L144 HydrophobicContact CG2-CB 4Å; I109-L144 HydrophobicContact CG2-CD2 3.96Å; I109-L144 VanDerWaalsContact CG2-O 3.26Å; I109-L144 WeakPolarHBondContact CG2-O 3.47Å; L112-L144 HydrophobicContact CB-CD1 3.94Å; L116-L144 HydrophobicContact CD1-CD1 3.49Å; L116-L144 VanDerWaalsContact CD1-CD1 3.49Å; T140-L144 HydrophobicContact CG2-CD1 4.4Å; T140-L144 WeakPolarHBondContact O-CG 3.26Å; T140-L144 PolarHBondContact O-N 3.14Å; A141-L144 PolarHBondContact O-N 3.37Å; L144-L147 PolarHBondContact O-N 2.99Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 PolarHBondContact O-N 3.1Å |
| 145 | R | 96.5 | Very high | 96.7 | Very high | 133 Ų | 133 | 35.3 Ų | 35.3 | 50% | 0.502 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.1 | -168.3 | -175.3 | -56 | 104.7 | 4.2 | 111.6 | A141 D142 V143 L148 S149 | A141-R145 PolarHBondContact O-N 3.34Å; D142-R145 PolarHBondContact O-N 2.83Å; D142-R145 IonicContact OD1-CZ 3.57Å; D142-R145 IonicContact OD1-NH1 2.7Å; D142-R145 PolarHBondContact OD1-NH1 3.34Å; D142-R145 IonicContact OD1-NH2 3.51Å; V143-R145 VanDerWaalsContact C-N 3.33Å; V143-R145 PolarHBondContact O-N 3.24Å; R145-L148 PolarHBondContact O-N 3.21Å; R145-S149 PolarHBondContact O-N 3.09Å; R145-S149 VanDerWaalsContact O-N 3.15Å |
| 146 | G | 96.1 | Very high | 96.4 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 26% | 0.258 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q51 D142 V143 S149 N150 | Q51-G146 VanDerWaalsContact NE2-C 3.26Å; D142-G146 PolarHBondContact O-N 3.4Å; V143-G146 PolarHBondContact O-N 3.31Å; G146-S149 PolarHBondContact O-N 3.15Å; G146-N150 PolarHBondContact O-N 2.92Å |
| 147 | L | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.5 | -177.4 | 62.6 | 0 | 0 | 0 | 111.8 | I48 Q51 L52 L55 I109 V143 L144 S149 N150 V151 | I48-L147 HydrophobicContact CB-CD1 4.06Å; I48-L147 HydrophobicContact CG1-CD1 4Å; I48-L147 HydrophobicContact CG2-CD1 3.91Å; Q51-L147 HydrophobicContact CB-CB 4.28Å; Q51-L147 HydrophobicContact CB-CD1 3.94Å; L52-L147 HydrophobicContact CD2-CD2 3.77Å; L52-L147 HydrophobicContact CG-CD1 4.41Å; L52-L147 HydrophobicContact CG-CD2 4.17Å; L55-L147 HydrophobicContact CD1-CD2 3.7Å; I109-L147 HydrophobicContact CD1-CB 4.26Å; I109-L147 HydrophobicContact CD1-CD1 4.49Å; I109-L147 HydrophobicContact CD1-CD2 3.43Å; I109-L147 VanDerWaalsContact CD1-CD2 3.43Å; I109-L147 HydrophobicContact CD1-CG 3.41Å; I109-L147 VanDerWaalsContact CD1-CG 3.41Å; I109-L147 HydrophobicContact CG1-CD2 3.83Å; I109-L147 HydrophobicContact CG1-CG 4.28Å; V143-L147 WeakPolarHBondContact O-CB 3.38Å; V143-L147 PolarHBondContact O-N 3.15Å; L144-L147 PolarHBondContact O-N 2.99Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.18Å; L147-N150 PolarHBondContact O-N 2.69Å; L147-V151 HydrophobicContact CD1-CG2 4.11Å; L147-V151 HydrophobicContact CG-CG2 4.35Å; L147-V151 WeakPolarHBondContact O-CB 3.43Å; L147-V151 VanDerWaalsContact O-CG2 3.26Å; L147-V151 WeakPolarHBondContact O-CG2 3.32Å; L147-V151 PolarHBondContact O-N 3.12Å |
| 148 | L | 95.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.12 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 175.4 | -168 | 73 | 0 | 0 | 0 | 111.1 | Y106 I109 A110 L144 R145 L152 | Y106-L148 HydrophobicContact CD1-CD1 4.34Å; Y106-L148 HydrophobicContact CD2-CD1 3.55Å; Y106-L148 HydrophobicContact CD2-CG 4.23Å; Y106-L148 HydrophobicContact CE1-CD1 4.15Å; Y106-L148 HydrophobicContact CE2-CD1 3.26Å; Y106-L148 HydrophobicContact CE2-CG 3.58Å; Y106-L148 HydrophobicContact CG-CD1 4.07Å; I109-L148 HydrophobicContact CB-CD1 4.02Å; I109-L148 HydrophobicContact CG2-CB 3.81Å; I109-L148 HydrophobicContact CG2-CD1 3.85Å; I109-L148 HydrophobicContact CG2-CG 4.42Å; A110-L148 HydrophobicContact CB-CD1 4.15Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 PolarHBondContact O-N 3.1Å; R145-L148 PolarHBondContact O-N 3.21Å; L148-L152 WeakPolarHBondContact O-CB 3.22Å; L148-L152 PolarHBondContact O-N 3.17Å |
| 149 | S | 94.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 36.3 Ų | 36.3 | 51% | 0.51 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 177.4 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | R145 G146 L147 L152 C153 | R145-S149 PolarHBondContact O-N 3.09Å; R145-S149 VanDerWaalsContact O-N 3.15Å; G146-S149 PolarHBondContact O-N 3.15Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.18Å; S149-L152 PolarHBondContact O-N 3.39Å; S149-C153 WeakPolarHBondContact O-CB 3.25Å; S149-C153 PolarHBondContact O-N 3.47Å |
| 150 | N | 95.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 179.7 | -78.6 | -20.3 | 0 | 0 | 0 | 112.8 | L44 Q47 I48 Q51 G146 L147 C153 R154 | L44-N150 HydrophobicContact CD2-CB 3.92Å; L44-N150 WeakPolarHBondContact CD2-OD1 3.38Å; Q47-N150 WeakPolarHBondContact CB-ND2 3.29Å; Q47-N150 PolarHBondContact OE1-ND2 3.01Å; Q47-N150 PolarHBondContact OE1-OD1 3.44Å; I48-N150 HydrophobicContact CD1-CB 4.36Å; I48-N150 HydrophobicContact CG1-CB 3.83Å; Q51-N150 PolarHBondContact OE1-ND2 3.49Å; G146-N150 PolarHBondContact O-N 2.92Å; L147-N150 PolarHBondContact O-N 2.69Å; N150-C153 PolarHBondContact O-N 2.8Å; N150-R154 PolarHBondContact O-N 2.84Å |
| 151 | V | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | I48 L102 L105 Y106 I109 L147 C153 R154 L155 | I48-V151 HydrophobicContact CD1-CG2 3.94Å; I48-V151 HydrophobicContact CG1-CG2 4.06Å; L102-V151 HydrophobicContact CB-CG1 4.29Å; L102-V151 HydrophobicContact CD2-CG1 4.15Å; L102-V151 HydrophobicContact CD2-CG2 4.34Å; L102-V151 VanDerWaalsContact O-CG1 3.27Å; L102-V151 WeakPolarHBondContact O-CG1 3.34Å; L105-V151 HydrophobicContact CD2-CG2 3.65Å; L105-V151 HydrophobicContact CG-CG2 4.11Å; Y106-V151 HydrophobicContact CD2-CB 4.35Å; Y106-V151 HydrophobicContact CD2-CG1 4.01Å; Y106-V151 HydrophobicContact CG-CG1 4.41Å; I109-V151 HydrophobicContact CD1-CG2 4.14Å; L147-V151 HydrophobicContact CD1-CG2 4.11Å; L147-V151 HydrophobicContact CG-CG2 4.35Å; L147-V151 WeakPolarHBondContact O-CB 3.43Å; L147-V151 VanDerWaalsContact O-CG2 3.26Å; L147-V151 WeakPolarHBondContact O-CG2 3.32Å; L147-V151 PolarHBondContact O-N 3.12Å; V151-C153 VanDerWaalsContact C-N 3.33Å; V151-C153 PolarHBondContact O-N 3.41Å; V151-R154 PolarHBondContact O-N 2.98Å; V151-L155 HydrophobicContact CG1-CD1 3.93Å; V151-L155 HydrophobicContact CG1-CG 4.44Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 3.36Å |
| 152 | L | 94.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.3 | -173.5 | 62.4 | 0 | 0 | 0 | 111.4 | A32 Y106 L148 S149 R154 L155 C156 | A32-L152 HydrophobicContact CB-CD1 4.08Å; A32-L152 HydrophobicContact CB-CD2 3.55Å; A32-L152 HydrophobicContact CB-CG 4.48Å; Y106-L152 HydrophobicContact CD2-CB 4.29Å; Y106-L152 HydrophobicContact CE2-CB 3.76Å; Y106-L152 HydrophobicContact CE2-CD1 4.06Å; Y106-L152 HydrophobicContact CE2-CG 4.35Å; L148-L152 WeakPolarHBondContact O-CB 3.22Å; L148-L152 PolarHBondContact O-N 3.17Å; S149-L152 PolarHBondContact O-N 3.39Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 2.74Å; L152-L155 PolarHBondContact O-N 2.91Å; L152-L155 VanDerWaalsContact O-N 3.13Å; L152-C156 WeakPolarHBondContact O-CB 3.43Å; L152-C156 PolarHBondContact O-N 2.66Å; L152-C156 PolarHBondContact O-SG 2.95Å |
| 153 | C | 93.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 10% | 0.101 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -44 | 178.7 | -128.2 | 0 | 0 | 0 | 0 | 111.5 | C40 L44 S149 N150 V151 C156 S157 | C40-C153 WeakPolarHBondContact CA-SG 3.31Å; C40-C153 HydrophobicContact CB-CB 3.9Å; C40-C153 WeakPolarHBondContact CB-SG 3.44Å; C40-C153 WeakPolarHBondContact SG-CA 3.49Å; C40-C153 WeakPolarHBondContact SG-CB 3.45Å; C40-C153 PolarHBondContact SG-O 3.39Å; C40-C153 CovalentContact SG-SG 2.01Å; C40-C153 PolarHBondContact SG-SG 2.87Å; L44-C153 HydrophobicContact CD1-CB 3.91Å; L44-C153 HydrophobicContact CD2-CB 3.97Å; S149-C153 WeakPolarHBondContact O-CB 3.25Å; S149-C153 PolarHBondContact O-N 3.47Å; N150-C153 PolarHBondContact O-N 2.8Å; V151-C153 VanDerWaalsContact C-N 3.33Å; V151-C153 PolarHBondContact O-N 3.41Å; C153-C156 PolarHBondContact O-N 2.91Å; C153-S157 VanDerWaalsContact O-CB 3.25Å; C153-S157 WeakPolarHBondContact O-CB 2.95Å; C153-S157 PolarHBondContact O-N 3.4Å; C153-S157 PolarHBondContact O-OG 2.01Å |
| 154 | R | 94.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 44 Ų | 44 | 21% | 0.208 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.1 | -177.9 | 57.9 | 168.3 | -164.4 | -9.5 | 111.8 | L44 M45 E98 L102 N150 V151 L152 K158 | L44-R154 HydrophobicContact CD1-CB 4Å; M45-R154 HydrophobicContact SD-CG 4.04Å; E98-R154 IonicContact OE1-CZ 3.33Å; E98-R154 IonicContact OE1-NE 3.01Å; E98-R154 PolarHBondContact OE1-NE 2.79Å; E98-R154 IonicContact OE1-NH2 2.78Å; E98-R154 PolarHBondContact OE1-NH2 2.68Å; E98-R154 IonicContact OE2-NH2 3.78Å; L102-R154 HydrophobicContact CD1-CB 4.28Å; L102-R154 HydrophobicContact CD1-CG 3.48Å; L102-R154 VanDerWaalsContact CD1-CG 3.48Å; N150-R154 PolarHBondContact O-N 2.84Å; V151-R154 PolarHBondContact O-N 2.98Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 2.74Å; R154-K158 VanDerWaalsContact NH2-CD 3.33Å; R154-K158 WeakPolarHBondContact O-CB 3.23Å; R154-K158 PolarHBondContact O-N 3.17Å |
| 155 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 178.4 | -72.4 | 171.8 | 0 | 0 | 0 | 112 | L102 V103 V151 L152 Y159 H160 V161 V164 | L102-L155 HydrophobicContact CB-CD1 4.44Å; L102-L155 HydrophobicContact CB-CD2 3.66Å; L102-L155 HydrophobicContact CB-CG 4.05Å; L102-L155 HydrophobicContact CD1-CD2 4.47Å; V103-L155 HydrophobicContact CG2-CD1 4.28Å; V103-L155 HydrophobicContact CG2-CD2 3.8Å; V151-L155 HydrophobicContact CG1-CD1 3.93Å; V151-L155 HydrophobicContact CG1-CG 4.44Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 3.36Å; L152-L155 PolarHBondContact O-N 2.91Å; L152-L155 VanDerWaalsContact O-N 3.13Å; L155-Y159 HydrophobicContact CD2-CD2 4.17Å; L155-Y159 CarbonylContact O-C 3.34Å; L155-Y159 WeakPolarHBondContact O-CA 3.34Å; L155-Y159 VanDerWaalsContact O-CB 3.32Å; L155-Y159 WeakPolarHBondContact O-CB 3.37Å; L155-Y159 PolarHBondContact O-N 2.89Å; L155-Y159 VanDerWaalsContact O-N 3.16Å; L155-H160 PolarHBondContact O-N 3.41Å; L155-H160 VanDerWaalsContact O-N 3.09Å; L155-V161 HydrophobicContact CB-CG1 4.32Å; L155-V161 HydrophobicContact CB-CG2 3.65Å; L155-V161 HydrophobicContact CD2-CG1 4.39Å; L155-V161 PolarHBondContact O-N 3.43Å; L155-V164 HydrophobicContact CD1-CG2 3.78Å |
| 156 | C | 92.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 10% | 0.095 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.9 | -49.4 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | C34 L152 C153 H160 | C34-C156 WeakPolarHBondContact CA-SG 3.27Å; C34-C156 HydrophobicContact CB-CB 3.66Å; C34-C156 WeakPolarHBondContact CB-SG 3.38Å; C34-C156 VanDerWaalsContact SG-CA 3.52Å; C34-C156 WeakPolarHBondContact SG-CB 3.47Å; C34-C156 CovalentContact SG-SG 2.02Å; C34-C156 PolarHBondContact SG-SG 3.05Å; L152-C156 WeakPolarHBondContact O-CB 3.43Å; L152-C156 PolarHBondContact O-N 2.66Å; L152-C156 PolarHBondContact O-SG 2.95Å; C153-C156 PolarHBondContact O-N 2.91Å; C156-H160 WeakPolarHBondContact O-CA 3.4Å; C156-H160 PolarHBondContact O-N 3.24Å; C156-H160 PolarHBondContact O-ND1 2.96Å |
| 157 | S | 91.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 42% | 0.42 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73.1 | -41.4 | -172.1 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | C153 H160 | C153-S157 VanDerWaalsContact O-CB 3.25Å; C153-S157 WeakPolarHBondContact O-CB 2.95Å; C153-S157 PolarHBondContact O-N 3.4Å; C153-S157 PolarHBondContact O-OG 2.01Å; S157-H160 PolarHBondContact O-CE1 3.01Å |
| 158 | K | 93.5 | Very high | 92.1 | Very high | 88 Ų | 88 | 49.5 Ų | 49.5 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -95.2 | -36.4 | -177.5 | 179.5 | 174.9 | 174.2 | -171.7 | 0 | 113.2 | E98 R154 | E98-K158 VanDerWaalsContact CD-NZ 3.3Å; E98-K158 IonicContact OE1-NZ 2.8Å; E98-K158 PolarHBondContact OE1-NZ 3.05Å; E98-K158 IonicContact OE2-NZ 3.21Å; E98-K158 PolarHBondContact OE2-NZ 3.34Å; R154-K158 VanDerWaalsContact NH2-CD 3.33Å; R154-K158 WeakPolarHBondContact O-CB 3.23Å; R154-K158 PolarHBondContact O-N 3.17Å |
| 159 | Y | 94.5 | Very high | 91.6 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -110.3 | -2.5 | -169.6 | -62.6 | -65.8 | 0 | 0 | 0 | 114.2 | E98 K99 L102 L155 V161 | E98-Y159 VanDerWaalsContact CB-OH 3.3Å; E98-Y159 WeakPolarHBondContact CB-OH 3.05Å; E98-Y159 HydrophobicContact CG-CE2 4.34Å; E98-Y159 VanDerWaalsContact CG-OH 3.27Å; E98-Y159 WeakPolarHBondContact CG-OH 3.36Å; E98-Y159 PolarHBondContact OE1-OH 3.44Å; K99-Y159 HydrophobicContact CB-CD1 3.82Å; K99-Y159 HydrophobicContact CB-CD2 4.21Å; K99-Y159 HydrophobicContact CB-CE1 3.72Å; K99-Y159 HydrophobicContact CB-CE2 4.13Å; K99-Y159 HydrophobicContact CB-CG 4.05Å; K99-Y159 HydrophobicContact CD-CD1 3.89Å; K99-Y159 HydrophobicContact CD-CG 4.08Å; K99-Y159 HydrophobicContact CG-CD1 3.96Å; K99-Y159 HydrophobicContact CG-CD2 4.25Å; K99-Y159 HydrophobicContact CG-CE1 4.38Å; K99-Y159 HydrophobicContact CG-CG 3.87Å; L102-Y159 HydrophobicContact CD1-CD2 4.48Å; L102-Y159 HydrophobicContact CD1-CE2 3.89Å; L155-Y159 HydrophobicContact CD2-CD2 4.17Å; L155-Y159 CarbonylContact O-C 3.34Å; L155-Y159 WeakPolarHBondContact O-CA 3.34Å; L155-Y159 VanDerWaalsContact O-CB 3.32Å; L155-Y159 WeakPolarHBondContact O-CB 3.37Å; L155-Y159 PolarHBondContact O-N 2.89Å; L155-Y159 VanDerWaalsContact O-N 3.16Å; Y159-V161 PolarHBondContact O-N 3.33Å |
| 160 | H | 90.9 | Very high | 91.2 | Very high | 156 Ų | 156 | 49.5 Ų | 49.5 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | trans | 46.9 | 38.3 | 177.8 | -51.6 | -58.6 | 0 | 0 | 0 | 113.2 | L155 C156 S157 | L155-H160 PolarHBondContact O-N 3.41Å; L155-H160 VanDerWaalsContact O-N 3.09Å; C156-H160 WeakPolarHBondContact O-CA 3.4Å; C156-H160 PolarHBondContact O-N 3.24Å; C156-H160 PolarHBondContact O-ND1 2.96Å; S157-H160 PolarHBondContact O-CE1 3.01Å | ||
| 161 | V | 90.6 | Very high | 90.7 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | trans | -62.4 | 145.3 | 170.2 | -53.9 | 0 | 0 | 0 | 0 | 108.1 | C34 L155 Y159 V164 | C34-V161 PolarHBondContact SG-O 2.88Å; L155-V161 HydrophobicContact CB-CG1 4.32Å; L155-V161 HydrophobicContact CB-CG2 3.65Å; L155-V161 HydrophobicContact CD2-CG1 4.39Å; L155-V161 PolarHBondContact O-N 3.43Å; Y159-V161 PolarHBondContact O-N 3.33Å; V161-V164 HydrophobicContact CG2-CG2 4.27Å | ||
| 162 | S | 85.1 | Confident | 90.3 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 57% | 0.573 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -83 | -40.4 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | C34 | C34-S162 PolarHBondContact N-O 2.98Š|
| 163 | H | 87.7 | Confident | 89.9 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 37% | 0.366 | 32% | 0.317 | S | S | . | . | trans | -155 | 170.9 | 177.1 | 60.4 | -68.3 | 0 | 0 | 0 | 109.4 | A32 D165 | A32-H163 WeakPolarHBondContact O-CA 3.27Å; H163-D165 IonicContact CD2-OD1 3.55Å; H163-D165 PolarHBondContact CD2-OD1 3.4Å; H163-D165 VanDerWaalsContact CD2-OD1 3.23Å; H163-D165 IonicContact NE2-OD1 4Å; H163-D165 PolarHBondContact NE2-OD1 3.25Å | ||
| 164 | V | 89.4 | Confident | 89.7 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | trans | -125.6 | 117.6 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | V103 Y106 R107 L155 V161 V166 | V103-V164 HydrophobicContact CG1-CG1 4.1Å; Y106-V164 HydrophobicContact CD1-CB 3.61Å; Y106-V164 HydrophobicContact CD1-CG1 3.45Å; Y106-V164 VanDerWaalsContact CD1-CG1 3.45Å; Y106-V164 HydrophobicContact CD1-CG2 4.17Å; Y106-V164 HydrophobicContact CE1-CB 3.84Å; Y106-V164 HydrophobicContact CE1-CG1 4.13Å; Y106-V164 HydrophobicContact CG-CB 4.31Å; Y106-V164 HydrophobicContact CG-CG1 4.14Å; Y106-V164 HydrophobicContact CG-CG2 4.41Å; R107-V164 HydrophobicContact CG-CG1 4.22Å; L155-V164 HydrophobicContact CD1-CG2 3.78Å; V161-V164 HydrophobicContact CG2-CG2 4.27Å; V164-V166 PolarHBondContact O-N 2.93Å | ||
| 165 | D | 90.8 | Very high | 89.6 | Confident | 88 Ų | 88 | 63.3 Ų | 63.3 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | trans | -66.2 | 131.9 | 175 | -58.7 | -49.8 | 0 | 0 | 0 | 110.8 | R107 H163 | R107-D165 WeakPolarHBondContact CG-O 3.38Å; R107-D165 PolarHBondContact NE-O 3.43Å; H163-D165 IonicContact CD2-OD1 3.55Å; H163-D165 PolarHBondContact CD2-OD1 3.4Å; H163-D165 VanDerWaalsContact CD2-OD1 3.23Å; H163-D165 IonicContact NE2-OD1 4Å; H163-D165 PolarHBondContact NE2-OD1 3.25Å | ||
| 166 | V | 91.4 | Very high | 89.7 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 14% | 0.139 | 39% | 0.386 | C | S | . | . | trans | -126.1 | 141.5 | 179.5 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | V30 Y106 R107 A110 V164 Y168 | V30-V166 WeakPolarHBondContact O-CG2 3.38Å; Y106-V166 HydrophobicContact CD1-CG1 3.85Å; Y106-V166 HydrophobicContact CE1-CG1 3.66Å; R107-V166 HydrophobicContact CG-CG1 4.42Å; A110-V166 HydrophobicContact CB-CB 4.18Å; A110-V166 HydrophobicContact CB-CG1 3.75Å; V164-V166 PolarHBondContact O-N 2.93Å; V166-Y168 HydrophobicContact CG2-CE1 4.36Å; V166-Y168 HydrophobicContact CG2-CE2 3.89Å | ||
| 167 | T | 88.8 | Confident | 89.8 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 65% | 0.65 | 40% | 0.404 | S | S | * | . | trans | -108.3 | 131.1 | 167.3 | -53.2 | 0 | 0 | 0 | 0 | 107.4 | Y111 | Y111-T167 WeakPolarHBondContact CD2-O 3.47Š| ||
| 168 | Y | 89.2 | Confident | 90.1 | Very high | 63 Ų | 63 | 71.6 Ų | 71.6 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 154.1 | 174.2 | -62 | -72.7 | 0 | 0 | 0 | 110.5 | P29 V30 A114 V166 | P29-Y168 PolarHBondContact O-OH 3.48Å; P29-Y168 VanDerWaalsContact O-OH 3.13Å; V30-Y168 WeakPolarHBondContact CA-OH 3.33Å; V30-Y168 HydrophobicContact CG1-CE2 4.33Å; A114-Y168 HydrophobicContact CB-CD1 3.5Å; A114-Y168 VanDerWaalsContact CB-CD1 3.5Å; A114-Y168 HydrophobicContact CB-CE1 4Å; A114-Y168 HydrophobicContact CB-CG 4.44Å; V166-Y168 HydrophobicContact CG2-CE1 4.36Å; V166-Y168 HydrophobicContact CG2-CE2 3.89Å |
| 169 | G | 84.5 | Confident | 90.2 | Very high | 17 Ų | 17 | 70.5 Ų | 70.5 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 163.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y111 | Y111-G169 VanDerWaalsContact CE2-N 3.31Š|
| 170 | P | 85.7 | Confident | 90.3 | Very high | 79 Ų | 79 | 70.1 Ų | 70.1 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 146.8 | -177.7 | 27.2 | -37.2 | 0 | 0 | 0 | 111.3 | D88 T172 | D88-P170 WeakPolarHBondContact OD2-CD 3.11Å; P170-T172 PolarHBondContact O-N 3.36Å |
| 171 | D | 85.4 | Confident | 90.6 | Very high | 114 Ų | 114 | 64.6 Ų | 64.6 | 61% | 0.61 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 124.5 | 168.3 | -175.7 | 17.3 | 0 | 0 | 0 | 109.9 | S173 | D171-S173 VanDerWaalsContact CG-OG 3.23Å; D171-S173 WeakPolarHBondContact OD1-CB 3.17Å; D171-S173 PolarHBondContact OD1-N 3.45Å; D171-S173 PolarHBondContact OD1-OG 2.94Å; D171-S173 PolarHBondContact OD2-OG 2.99Å |
| 172 | T | 86.8 | Confident | 90.9 | Very high | 22 Ų | 22 | 66.1 Ų | 66.1 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | trans | -105.5 | 2 | -179.8 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | P170 G174 K175 K180 L183 | P170-T172 PolarHBondContact O-N 3.36Å; T172-G174 VanDerWaalsContact C-N 3.27Å; T172-G174 PolarHBondContact O-N 3.22Å; T172-K175 WeakPolarHBondContact O-CB 3.25Å; T172-K175 PolarHBondContact O-N 3.1Å; T172-K180 WeakPolarHBondContact O-CE 3.46Å; T172-L183 HydrophobicContact CG2-CD1 3.77Å | ||
| 173 | S | 85.7 | Confident | 91.4 | Very high | 72 Ų | 72 | 65 Ų | 65 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -42.2 | -175.5 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | D171 K180 | D171-S173 VanDerWaalsContact CG-OG 3.23Å; D171-S173 WeakPolarHBondContact OD1-CB 3.17Å; D171-S173 PolarHBondContact OD1-N 3.45Å; D171-S173 PolarHBondContact OD1-OG 2.94Å; D171-S173 PolarHBondContact OD2-OG 2.99Å; S173-K180 VanDerWaalsContact O-CE 3.26Å; S173-K180 WeakPolarHBondContact O-CE 3.25Å; S173-K180 PolarHBondContact O-NZ 3.08Å |
| 174 | G | 90.1 | Very high | 91.8 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 80% | 0.804 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T172 | T172-G174 VanDerWaalsContact C-N 3.27Å; T172-G174 PolarHBondContact O-N 3.22Å |
| 175 | K | 93.1 | Very high | 92.2 | Very high | 113 Ų | 113 | 61.1 Ų | 61.1 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -79.1 | 152.1 | 176 | -60.5 | -65.4 | -178.8 | -171.4 | 0 | 110.7 | T172 Q179 K180 L183 | T172-K175 WeakPolarHBondContact O-CB 3.25Å; T172-K175 PolarHBondContact O-N 3.1Å; K175-Q179 HydrophobicContact CB-CB 4.03Å; K175-K180 HydrophobicContact CB-CG 4.14Å; K175-K180 WeakPolarHBondContact O-CE 3.46Å; K175-L183 HydrophobicContact CG-CD1 4.34Å |
| 176 | D | 95.7 | Very high | 92.6 | Very high | 87 Ų | 87 | 57.7 Ų | 57.7 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | trans | -65.5 | 164.5 | 172.6 | 66.3 | 85.3 | 0 | 0 | 0 | 111.8 | F178 Q179 K180 | D176-F178 VanDerWaalsContact C-N 3.3Å; D176-F178 PolarHBondContact O-N 2.84Å; D176-F178 WeakPolarHBondContact OD1-CA 3.29Å; D176-F178 WeakPolarHBondContact OD1-CB 3.37Å; D176-F178 PolarHBondContact OD1-N 3.48Å; D176-Q179 PolarHBondContact O-N 2.96Å; D176-Q179 PolarHBondContact OD1-N 2.78Å; D176-Q179 WeakPolarHBondContact OD2-CG 3.36Å; D176-K180 WeakPolarHBondContact O-CG 3.04Å; D176-K180 PolarHBondContact O-N 2.73Å | ||
| 177 | V | 96.2 | Very high | 92.8 | Very high | 78 Ų | 78 | 57.1 Ų | 57.1 | 47% | 0.473 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | -176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | L126 K180 K181 | L126-V177 HydrophobicContact CD1-CG1 4.26Å; L126-V177 HydrophobicContact CD2-CB 4.42Å; L126-V177 HydrophobicContact CD2-CG1 3.55Å; L126-V177 HydrophobicContact CD2-CG2 4.09Å; V177-K180 PolarHBondContact O-N 3.47Å; V177-K181 HydrophobicContact CG1-CD 4.4Å; V177-K181 HydrophobicContact CG1-CG 4.47Å; V177-K181 VanDerWaalsContact O-CG 3.32Å; V177-K181 WeakPolarHBondContact O-CG 3.47Å; V177-K181 PolarHBondContact O-N 3.48Å |
| 178 | F | 96.8 | Very high | 93.3 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 37% | 0.368 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | -178.3 | 178.7 | -99.3 | 0 | 0 | 0 | 111 | F74 L81 D176 K181 K182 | F74-F178 HydrophobicContact CE2-CD2 4.29Å; F74-F178 HydrophobicContact CE2-CE2 4.07Å; F74-F178 HydrophobicContact CZ-CD2 4.37Å; F74-F178 HydrophobicContact CZ-CE2 4.17Å; L81-F178 HydrophobicContact CD1-CZ 4.48Å; L81-F178 HydrophobicContact CD2-CE1 4.49Å; L81-F178 HydrophobicContact CD2-CZ 3.75Å; D176-F178 VanDerWaalsContact C-N 3.3Å; D176-F178 PolarHBondContact O-N 2.84Å; D176-F178 WeakPolarHBondContact OD1-CA 3.29Å; D176-F178 WeakPolarHBondContact OD1-CB 3.37Å; D176-F178 PolarHBondContact OD1-N 3.48Å; F178-K181 PolarHBondContact O-N 3.5Å; F178-K182 HydrophobicContact CE1-CD 4.47Å; F178-K182 WeakPolarHBondContact O-CB 3.5Å; F178-K182 PolarHBondContact O-N 3.13Å |
| 179 | Q | 95.7 | Very high | 93.7 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.3 | -67.8 | -61.3 | -30.2 | 0 | 0 | 112.5 | K175 D176 K181 K182 L183 | K175-Q179 HydrophobicContact CB-CB 4.03Å; D176-Q179 PolarHBondContact O-N 2.96Å; D176-Q179 PolarHBondContact OD1-N 2.78Å; D176-Q179 WeakPolarHBondContact OD2-CG 3.36Å; Q179-K181 PolarHBondContact O-N 2.87Å; Q179-K182 PolarHBondContact O-N 3.09Å; Q179-L183 VanDerWaalsContact O-CB 3.32Å; Q179-L183 WeakPolarHBondContact O-CB 3.49Å; Q179-L183 VanDerWaalsContact O-CG 3.22Å; Q179-L183 WeakPolarHBondContact O-CG 3.36Å; Q179-L183 PolarHBondContact O-N 3.15Å |
| 180 | K | 96 | Very high | 94.3 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 173.4 | -73.1 | 178.2 | 174 | 177.8 | 0 | 111.6 | T172 S173 K175 D176 V177 K182 G184 | T172-K180 WeakPolarHBondContact O-CE 3.46Å; S173-K180 VanDerWaalsContact O-CE 3.26Å; S173-K180 WeakPolarHBondContact O-CE 3.25Å; S173-K180 PolarHBondContact O-NZ 3.08Å; K175-K180 HydrophobicContact CB-CG 4.14Å; K175-K180 WeakPolarHBondContact O-CE 3.46Å; D176-K180 WeakPolarHBondContact O-CG 3.04Å; D176-K180 PolarHBondContact O-N 2.73Å; V177-K180 PolarHBondContact O-N 3.47Å; K180-K182 PolarHBondContact O-N 3.13Å; K180-G184 PolarHBondContact O-N 2.64Å |
| 181 | K | 97.3 | Very high | 94.9 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 176.2 | -69.4 | -173.8 | 171.5 | -170.3 | 0 | 111.4 | Y66 Q70 F74 L126 V177 F178 Q179 C185 | Y66-K181 WeakPolarHBondContact CE1-O 3.21Å; Y66-K181 PolarHBondContact OH-O 3.43Å; Q70-K181 HydrophobicContact CB-CD 4.37Å; Q70-K181 HydrophobicContact CG-CB 4.49Å; Q70-K181 PolarHBondContact O-NZ 3.12Å; Q70-K181 VanDerWaalsContact OE1-CG 3.27Å; F74-K181 HydrophobicContact CE1-CB 4.03Å; F74-K181 HydrophobicContact CE2-CB 4.09Å; F74-K181 HydrophobicContact CE2-CD 4.1Å; F74-K181 HydrophobicContact CZ-CB 3.4Å; F74-K181 HydrophobicContact CZ-CD 4.27Å; F74-K181 HydrophobicContact CZ-CG 4.48Å; L126-K181 HydrophobicContact CD1-CG 3.97Å; V177-K181 HydrophobicContact CG1-CD 4.4Å; V177-K181 HydrophobicContact CG1-CG 4.47Å; V177-K181 VanDerWaalsContact O-CG 3.32Å; V177-K181 WeakPolarHBondContact O-CG 3.47Å; V177-K181 PolarHBondContact O-N 3.48Å; F178-K181 PolarHBondContact O-N 3.5Å; Q179-K181 PolarHBondContact O-N 2.87Å; K181-C185 PolarHBondContact O-N 3.44Å |
| 182 | K | 97 | Very high | 95.5 | Very high | 53 Ų | 53 | 45 Ų | 45 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -55.2 | 179.4 | -173.9 | -175.9 | 175.9 | -178.8 | 0 | 111.8 | L81 F178 Q179 K180 G184 C185 Q186 | L81-K182 HydrophobicContact CD2-CD 4.47Å; L81-K182 WeakPolarHBondContact O-CG 3.46Å; F178-K182 HydrophobicContact CE1-CD 4.47Å; F178-K182 WeakPolarHBondContact O-CB 3.5Å; F178-K182 PolarHBondContact O-N 3.13Å; Q179-K182 PolarHBondContact O-N 3.09Å; K180-K182 PolarHBondContact O-N 3.13Å; K182-G184 VanDerWaalsContact C-N 3.32Å; K182-G184 PolarHBondContact O-N 2.9Å; K182-C185 WeakPolarHBondContact O-CA 3.43Å; K182-C185 WeakPolarHBondContact O-CB 3.43Å; K182-C185 PolarHBondContact O-N 3.5Å; K182-Q186 HydrophobicContact CG-CG 4.43Å; K182-Q186 WeakPolarHBondContact O-CG 3.03Å; K182-Q186 PolarHBondContact O-N 3.13Å |
| 183 | L | 96.1 | Very high | 96 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | -178.9 | -69.8 | 169.5 | 0 | 0 | 0 | 111.7 | T172 K175 Q179 C185 Q186 L187 | T172-L183 HydrophobicContact CG2-CD1 3.77Å; K175-L183 HydrophobicContact CG-CD1 4.34Å; Q179-L183 VanDerWaalsContact O-CB 3.32Å; Q179-L183 WeakPolarHBondContact O-CB 3.49Å; Q179-L183 VanDerWaalsContact O-CG 3.22Å; Q179-L183 WeakPolarHBondContact O-CG 3.36Å; Q179-L183 PolarHBondContact O-N 3.15Å; L183-C185 VanDerWaalsContact C-N 3.29Å; L183-C185 PolarHBondContact O-N 3.19Å; L183-Q186 PolarHBondContact O-N 3.48Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 PolarHBondContact O-N 3.03Å |
| 184 | G | 96.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -36.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y66 K180 K182 L188 | Y66-G184 WeakPolarHBondContact OH-CA 3.36Å; K180-G184 PolarHBondContact O-N 2.64Å; K182-G184 VanDerWaalsContact C-N 3.32Å; K182-G184 PolarHBondContact O-N 2.9Å; G184-L188 WeakPolarHBondContact O-CG 3.3Å; G184-L188 PolarHBondContact O-N 3Å; G184-L188 VanDerWaalsContact O-N 3.08Å |
| 185 | C | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -46.9 | 176.2 | -149 | 0 | 0 | 0 | 0 | 112.1 | Y66 F74 C82 K181 K182 L183 L187 L188 G189 | Y66-C185 HydrophobicContact CD1-CB 4.02Å; Y66-C185 VanDerWaalsContact CE1-CA 3.48Å; Y66-C185 HydrophobicContact CE1-CB 3.64Å; Y66-C185 VanDerWaalsContact CE1-N 3.29Å; F74-C185 HydrophobicContact CD1-CB 4.44Å; F74-C185 HydrophobicContact CE1-CB 4.34Å; C82-C185 HydrophobicContact CB-CB 3.8Å; C82-C185 WeakPolarHBondContact CB-SG 3.36Å; C82-C185 WeakPolarHBondContact SG-CB 3.34Å; C82-C185 CovalentContact SG-SG 2.02Å; C82-C185 PolarHBondContact SG-SG 3.24Å; K181-C185 PolarHBondContact O-N 3.44Å; K182-C185 WeakPolarHBondContact O-CA 3.43Å; K182-C185 WeakPolarHBondContact O-CB 3.43Å; K182-C185 PolarHBondContact O-N 3.5Å; L183-C185 VanDerWaalsContact C-N 3.29Å; L183-C185 PolarHBondContact O-N 3.19Å; C185-L187 VanDerWaalsContact C-N 3.29Å; C185-L187 PolarHBondContact O-N 2.02Å; C185-L188 PolarHBondContact O-N 2.84Å; C185-G189 PolarHBondContact O-N 3.31Å |
| 186 | Q | 97.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 177.8 | -65 | -178.8 | -56.7 | 0 | 0 | 111.3 | L81 S83 V86 K182 L183 G189 K190 | L81-Q186 VanDerWaalsContact O-CG 3.31Å; L81-Q186 WeakPolarHBondContact O-CG 3.35Å; S83-Q186 WeakPolarHBondContact O-CB 3.44Å; S83-Q186 VanDerWaalsContact O-CG 3.31Å; S83-Q186 WeakPolarHBondContact O-CG 3.01Å; V86-Q186 HydrophobicContact CG2-CB 4.41Å; K182-Q186 HydrophobicContact CG-CG 4.43Å; K182-Q186 WeakPolarHBondContact O-CG 3.03Å; K182-Q186 PolarHBondContact O-N 3.13Å; L183-Q186 PolarHBondContact O-N 3.48Å; Q186-G189 PolarHBondContact O-N 2.8Å; Q186-K190 PolarHBondContact O-N 2.78Å |
| 187 | L | 97.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.3 | -177.7 | 68.9 | 0 | 0 | 0 | 112.3 | V86 F89 Y111 L112 I119 L183 C185 G189 K190 Y191 | V86-L187 HydrophobicContact CG1-CD1 4.37Å; V86-L187 HydrophobicContact CG2-CB 4.31Å; V86-L187 HydrophobicContact CG2-CD1 4.16Å; F89-L187 HydrophobicContact CD2-CD1 4.27Å; F89-L187 HydrophobicContact CE2-CD1 4.24Å; Y111-L187 HydrophobicContact CD1-CD1 4.46Å; Y111-L187 HydrophobicContact CE1-CD1 3.75Å; L112-L187 HydrophobicContact CD2-CD1 4.31Å; I119-L187 HydrophobicContact CD1-CB 4.37Å; I119-L187 HydrophobicContact CD1-CD2 3.68Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 PolarHBondContact O-N 3.03Å; C185-L187 VanDerWaalsContact C-N 3.29Å; C185-L187 PolarHBondContact O-N 2.02Å; L187-G189 VanDerWaalsContact C-N 3.26Å; L187-G189 PolarHBondContact O-N 3.01Å; L187-K190 CarbonylContact O-C 3.32Å; L187-K190 WeakPolarHBondContact O-CB 3.44Å; L187-K190 PolarHBondContact O-N 2.96Å; L187-K190 VanDerWaalsContact O-N 3.15Å; L187-Y191 WeakPolarHBondContact O-CB 3.38Å; L187-Y191 PolarHBondContact O-N 3Å |
| 188 | L | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -32.3 | 178 | -70 | 176.4 | 0 | 0 | 0 | 111.9 | L62 F63 Y66 L116 I119 G184 C185 Y191 K192 | L62-L188 HydrophobicContact CD2-CD2 3.8Å; L62-L188 HydrophobicContact CG-CD1 4.48Å; L62-L188 HydrophobicContact CG-CD2 4.17Å; F63-L188 HydrophobicContact CD2-CB 3.9Å; Y66-L188 VanDerWaalsContact CB-CD1 3.41Å; Y66-L188 HydrophobicContact CD1-CD1 3.97Å; Y66-L188 HydrophobicContact CD2-CD1 3.41Å; Y66-L188 VanDerWaalsContact CD2-CD1 3.41Å; Y66-L188 HydrophobicContact CE2-CD1 4.14Å; Y66-L188 HydrophobicContact CG-CD1 3.3Å; L116-L188 HydrophobicContact CD2-CD2 3.7Å; I119-L188 HydrophobicContact CD1-CG 4.42Å; G184-L188 WeakPolarHBondContact O-CG 3.3Å; G184-L188 PolarHBondContact O-N 3Å; G184-L188 VanDerWaalsContact O-N 3.08Å; C185-L188 PolarHBondContact O-N 2.84Å; L188-Y191 HydrophobicContact CD2-CD1 4.29Å; L188-K192 WeakPolarHBondContact O-CB 3.27Å; L188-K192 PolarHBondContact O-N 3.21Å |
| 189 | G | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 6% | 0.062 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C185 Q186 L187 K192 Q193 | C185-G189 PolarHBondContact O-N 3.31Å; Q186-G189 PolarHBondContact O-N 2.8Å; L187-G189 VanDerWaalsContact C-N 3.26Å; L187-G189 PolarHBondContact O-N 3.01Å; G189-K192 PolarHBondContact O-N 3.08Å; G189-Q193 PolarHBondContact O-N 2.98Å; G189-Q193 VanDerWaalsContact O-N 3.15Å |
| 190 | K | 97.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 176.9 | -176 | 64.5 | 174 | -174.7 | 0 | 112.2 | P84 V86 F89 Q186 L187 Q193 V194 | P84-K190 HydrophobicContact CB-CB 3.99Å; P84-K190 HydrophobicContact CB-CD 4.12Å; V86-K190 HydrophobicContact CB-CB 4.43Å; V86-K190 HydrophobicContact CB-CG 4.31Å; V86-K190 HydrophobicContact CG2-CB 4.08Å; V86-K190 HydrophobicContact CG2-CG 4.5Å; F89-K190 HydrophobicContact CB-CG 4.36Å; F89-K190 HydrophobicContact CD1-CG 4.29Å; F89-K190 HydrophobicContact CD2-CG 3.58Å; F89-K190 HydrophobicContact CE2-CG 3.87Å; F89-K190 HydrophobicContact CG-CD 4.42Å; F89-K190 HydrophobicContact CG-CG 3.8Å; F89-K190 HydrophobicContact CZ-CG 4.35Å; Q186-K190 PolarHBondContact O-N 2.78Å; L187-K190 CarbonylContact O-C 3.32Å; L187-K190 WeakPolarHBondContact O-CB 3.44Å; L187-K190 PolarHBondContact O-N 2.96Å; L187-K190 VanDerWaalsContact O-N 3.15Å; K190-Q193 PolarHBondContact O-N 3.21Å; K190-V194 HydrophobicContact CD-CG2 4.07Å; K190-V194 HydrophobicContact CG-CG2 4.32Å; K190-V194 WeakPolarHBondContact O-CG2 3.38Å; K190-V194 PolarHBondContact O-N 2.96Å |
| 191 | Y | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.9 | -51.1 | 174.4 | 162.6 | -118.1 | 0 | 0 | 0 | 111.3 | L55 A59 L62 L112 T140 L187 L188 Q193 V194 I195 | L55-Y191 WeakPolarHBondContact CD2-OH 3.33Å; L55-Y191 PolarHBondContact O-OH 3.19Å; A59-Y191 HydrophobicContact CB-CD1 4.21Å; A59-Y191 HydrophobicContact CB-CE1 3.56Å; L62-Y191 HydrophobicContact CD2-CE1 4.16Å; L112-Y191 HydrophobicContact CD1-CD2 3.71Å; L112-Y191 HydrophobicContact CD1-CE2 4.32Å; L112-Y191 HydrophobicContact CD2-CD2 4.12Å; L112-Y191 HydrophobicContact CD2-CG 4.31Å; T140-Y191 HydrophobicContact CG2-CE1 4.36Å; L187-Y191 WeakPolarHBondContact O-CB 3.38Å; L187-Y191 PolarHBondContact O-N 3Å; L188-Y191 HydrophobicContact CD2-CD1 4.29Å; Y191-Q193 VanDerWaalsContact C-N 3.27Å; Y191-Q193 PolarHBondContact O-N 3.32Å; Y191-V194 PolarHBondContact O-N 2.95Å; Y191-I195 HydrophobicContact CD2-CB 4.2Å; Y191-I195 HydrophobicContact CE2-CB 3.88Å; Y191-I195 HydrophobicContact CE2-CD1 4.3Å; Y191-I195 HydrophobicContact CE2-CG1 4.03Å; Y191-I195 HydrophobicContact CE2-CG2 4.21Å; Y191-I195 WeakPolarHBondContact O-CB 3.48Å; Y191-I195 VanDerWaalsContact O-CG2 3.24Å; Y191-I195 WeakPolarHBondContact O-CG2 3.03Å; Y191-I195 PolarHBondContact O-N 3.39Å |
| 192 | K | 97.8 | Very high | 97.3 | Very high | 70 Ų | 70 | 34 Ų | 34 | 30% | 0.304 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -55.3 | -42.4 | 177.8 | -174.1 | -175 | 78.2 | 176.3 | 0 | 112 | A59 N60 F63 L188 G189 | A59-K192 HydrophobicContact CB-CB 4.45Å; A59-K192 HydrophobicContact CB-CG 4.35Å; N60-K192 HydrophobicContact CB-CD 4.11Å; N60-K192 WeakPolarHBondContact OD1-CD 3.41Å; F63-K192 HydrophobicContact CB-CD 4.32Å; F63-K192 HydrophobicContact CD1-CD 4.34Å; F63-K192 HydrophobicContact CG-CD 4.42Å; L188-K192 WeakPolarHBondContact O-CB 3.27Å; L188-K192 PolarHBondContact O-N 3.21Å; G189-K192 PolarHBondContact O-N 3.08Å |
| 193 | Q | 96.8 | Very high | 97.3 | Very high | 100 Ų | 100 | 33 Ų | 33 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.3 | -50.5 | 177.9 | -174.9 | -172.6 | 19.3 | 0 | 0 | 111.9 | G189 K190 Y191 | G189-Q193 PolarHBondContact O-N 2.98Å; G189-Q193 VanDerWaalsContact O-N 3.15Å; K190-Q193 PolarHBondContact O-N 3.21Å; Y191-Q193 VanDerWaalsContact C-N 3.27Å; Y191-Q193 PolarHBondContact O-N 3.32Å |
| 194 | V | 97.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 11% | 0.109 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.8 | -39.2 | -172.6 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | F89 I108 K190 Y191 A196 V197 L198 | F89-V194 HydrophobicContact CD1-CG2 4.3Å; F89-V194 HydrophobicContact CE1-CB 4.2Å; F89-V194 HydrophobicContact CE1-CG1 3.93Å; F89-V194 HydrophobicContact CE1-CG2 3.75Å; F89-V194 HydrophobicContact CZ-CB 4.32Å; F89-V194 HydrophobicContact CZ-CG1 4.26Å; F89-V194 HydrophobicContact CZ-CG2 4.17Å; I108-V194 HydrophobicContact CD1-CG1 4.27Å; I108-V194 HydrophobicContact CG2-CG1 4.33Å; K190-V194 HydrophobicContact CD-CG2 4.07Å; K190-V194 HydrophobicContact CG-CG2 4.32Å; K190-V194 WeakPolarHBondContact O-CG2 3.38Å; K190-V194 PolarHBondContact O-N 2.96Å; Y191-V194 PolarHBondContact O-N 2.95Å; V194-A196 PolarHBondContact O-N 2.92Å; V194-V197 WeakPolarHBondContact O-CB 3.44Å; V194-V197 PolarHBondContact O-N 2.73Å; V194-L198 HydrophobicContact CG1-CD1 3.8Å; V194-L198 HydrophobicContact CG1-CG 3.99Å; V194-L198 WeakPolarHBondContact O-CG 3.39Å; V194-L198 PolarHBondContact O-N 2.87Å |
| 195 | I | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.3 | -30.2 | -178 | -163.8 | 63.7 | 0 | 0 | 0 | 112.4 | L52 L55 N56 A59 Y191 V197 L198 A199 | L52-I195 HydrophobicContact CD2-CD1 3.74Å; L55-I195 HydrophobicContact CB-CD1 3.73Å; L55-I195 HydrophobicContact CB-CG1 3.71Å; L55-I195 HydrophobicContact CD1-CD1 4.04Å; N56-I195 HydrophobicContact CB-CG1 4.16Å; N56-I195 HydrophobicContact CB-CG2 4.38Å; A59-I195 HydrophobicContact CB-CG2 3.68Å; Y191-I195 HydrophobicContact CD2-CB 4.2Å; Y191-I195 HydrophobicContact CE2-CB 3.88Å; Y191-I195 HydrophobicContact CE2-CD1 4.3Å; Y191-I195 HydrophobicContact CE2-CG1 4.03Å; Y191-I195 HydrophobicContact CE2-CG2 4.21Å; Y191-I195 WeakPolarHBondContact O-CB 3.48Å; Y191-I195 VanDerWaalsContact O-CG2 3.24Å; Y191-I195 WeakPolarHBondContact O-CG2 3.03Å; Y191-I195 PolarHBondContact O-N 3.39Å; I195-V197 VanDerWaalsContact C-N 3.35Å; I195-L198 HydrophobicContact CD1-CB 4.46Å; I195-L198 HydrophobicContact CD1-CD1 4.24Å; I195-L198 PolarHBondContact O-N 3.2Å; I195-A199 VanDerWaalsContact O-CB 3.28Å; I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.23Å |
| 196 | A | 97.8 | Very high | 97.3 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N56 V194 Q200 | N56-A196 WeakPolarHBondContact OD1-CA 3.38Å; V194-A196 PolarHBondContact O-N 2.92Å; A196-Q200 WeakPolarHBondContact O-CG 3.47Å; A196-Q200 PolarHBondContact O-N 3.44Å |
| 197 | V | 97.5 | Very high | 97.3 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 42% | 0.418 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | F92 V194 I195 A199 Q200 A201 | F92-V197 HydrophobicContact CD1-CG1 4.05Å; F92-V197 HydrophobicContact CE1-CG1 4.22Å; V194-V197 WeakPolarHBondContact O-CB 3.44Å; V194-V197 PolarHBondContact O-N 2.73Å; I195-V197 VanDerWaalsContact C-N 3.35Å; V197-A199 PolarHBondContact O-N 3.34Å; V197-Q200 PolarHBondContact O-N 3.41Å; V197-A201 WeakPolarHBondContact O-CB 3.37Å; V197-A201 PolarHBondContact O-N 2.88Å |
| 198 | L | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 179.6 | -66.3 | 174.9 | 0 | 0 | 0 | 112 | L52 F92 L105 I108 V194 I195 Q200 A201 F202 | L52-L198 HydrophobicContact CD2-CB 3.97Å; F92-L198 HydrophobicContact CB-CD2 4.43Å; F92-L198 HydrophobicContact CD1-CD2 3.75Å; F92-L198 HydrophobicContact CD2-CD2 3.45Å; F92-L198 VanDerWaalsContact CD2-CD2 3.45Å; F92-L198 HydrophobicContact CE1-CD2 3.77Å; F92-L198 HydrophobicContact CE2-CD2 3.47Å; F92-L198 VanDerWaalsContact CE2-CD2 3.47Å; F92-L198 HydrophobicContact CG-CD2 3.59Å; F92-L198 HydrophobicContact CZ-CD2 3.63Å; L105-L198 HydrophobicContact CD1-CD1 3.83Å; L105-L198 HydrophobicContact CD1-CD2 4.15Å; L105-L198 HydrophobicContact CD1-CG 4.46Å; I108-L198 HydrophobicContact CD1-CD1 4.48Å; I108-L198 HydrophobicContact CD1-CD2 4.3Å; I108-L198 HydrophobicContact CG2-CD1 4.06Å; V194-L198 HydrophobicContact CG1-CD1 3.8Å; V194-L198 HydrophobicContact CG1-CG 3.99Å; V194-L198 WeakPolarHBondContact O-CG 3.39Å; V194-L198 PolarHBondContact O-N 2.87Å; I195-L198 HydrophobicContact CD1-CB 4.46Å; I195-L198 HydrophobicContact CD1-CD1 4.24Å; I195-L198 PolarHBondContact O-N 3.2Å; L198-Q200 PolarHBondContact O-N 3.25Å; L198-A201 PolarHBondContact O-N 3.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.32Å; L198-F202 PolarHBondContact O-N 3.16Å |
| 199 | A | 97.7 | Very high | 97.2 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -25.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L52 N56 I195 V197 | L52-A199 HydrophobicContact CB-CB 4.43Å; N56-A199 HydrophobicContact CB-CB 3.8Å; I195-A199 VanDerWaalsContact O-CB 3.28Å; I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.23Å; V197-A199 PolarHBondContact O-N 3.34Å |
| 200 | Q | 96.3 | Very high | 97.2 | Very high | 164 Ų | 164 | 43.5 Ų | 43.5 | 77% | 0.766 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -86.6 | -30.7 | 175.4 | -68.3 | 175.4 | 1 | 0 | 0 | 112.6 | A196 V197 L198 F202 | A196-Q200 WeakPolarHBondContact O-CG 3.47Å; A196-Q200 PolarHBondContact O-N 3.44Å; V197-Q200 PolarHBondContact O-N 3.41Å; L198-Q200 PolarHBondContact O-N 3.25Å; Q200-F202 VanDerWaalsContact C-N 3.35Å |
| 201 | A | 96 | Very high | 97.2 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -76.9 | -19.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F92 A94 R101 V197 L198 | F92-A201 HydrophobicContact CE1-CB 3.6Å; F92-A201 HydrophobicContact CZ-CB 3.66Å; A94-A201 HydrophobicContact CB-CB 4.26Å; R101-A201 PolarHBondContact NH1-O 3.09Å; V197-A201 WeakPolarHBondContact O-CB 3.37Å; V197-A201 PolarHBondContact O-N 2.88Å; L198-A201 PolarHBondContact O-N 3.23Å |
| 202 | F | 94.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | trans | -107.2 | 0 | -176.9 | -80.2 | -86 | 0 | 0 | 0 | 113.1 | M45 I48 R49 L52 F92 R101 L102 L105 L198 Q200 | M45-F202 HydrophobicContact CE-CD1 3.98Å; M45-F202 HydrophobicContact CE-CE1 4.41Å; I48-F202 HydrophobicContact CG2-CD1 4.39Å; R49-F202 PolarHBondContact NE-OXT 3.04Å; R49-F202 PolarHBondContact NH1-O 3.05Å; R49-F202 PolarHBondContact NH2-O 3.4Å; R49-F202 PolarHBondContact NH2-OXT 3.34Å; L52-F202 HydrophobicContact CD1-CB 3.65Å; L52-F202 HydrophobicContact CD1-CD2 3.72Å; L52-F202 HydrophobicContact CD1-CG 3.8Å; F92-F202 AromaticContact CE2-CE2 3.84Å; F92-F202 HydrophobicContact CE2-CE2 3.84Å; F92-F202 HydrophobicContact CE2-CZ 4.44Å; F92-F202 HydrophobicContact CZ-CD2 4.45Å; F92-F202 AromaticContact CZ-CE2 3.79Å; F92-F202 HydrophobicContact CZ-CE2 3.79Å; R101-F202 HydrophobicContact CB-CE1 4.2Å; R101-F202 HydrophobicContact CB-CE2 4.29Å; R101-F202 HydrophobicContact CB-CZ 3.62Å; L102-F202 HydrophobicContact CD2-CE1 3.66Å; L102-F202 HydrophobicContact CD2-CZ 4.24Å; L102-F202 HydrophobicContact CG-CE1 4.02Å; L105-F202 HydrophobicContact CB-CE2 4.14Å; L105-F202 HydrophobicContact CB-CZ 4.01Å; L105-F202 HydrophobicContact CD2-CD2 4.31Å; L105-F202 HydrophobicContact CD2-CE1 4.19Å; L105-F202 HydrophobicContact CD2-CE2 3.78Å; L105-F202 HydrophobicContact CD2-CZ 3.68Å; L105-F202 HydrophobicContact CG-CE2 4.4Å; L105-F202 HydrophobicContact CG-CZ 4.43Å; L198-F202 WeakPolarHBondContact O-CD2 3.32Å; L198-F202 PolarHBondContact O-N 3.16Å; Q200-F202 VanDerWaalsContact C-N 3.35Å |
Retrieved 202 of 202 residues in 113.9 ms
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