| 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 | E | 39.3 | Very low | 45 | Very low | 238 Ų | 238 | 147.5 Ų | 147.5 | 100% | 1.112 | 77% | 0.773 | S | S | * | * | 0 | 61.2 | 0 | -48.5 | -177.3 | 149.7 | 0 | 0 | 106.3 | |||||
| 2 | E | 44 | Very low | 44.7 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | 67.8 | 125 | 56.5 | -141.4 | 169.6 | 157.5 | 0 | 0 | 113.3 | |||||
| 3 | E | 40.8 | Very low | 44.9 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 72.5 | 130.4 | 174.8 | -68.7 | 164.9 | 104.1 | 0 | 0 | 116 | ||||
| 4 | D | 41.1 | Very low | 45.7 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -158.2 | 111.2 | 38.5 | -167.4 | -103 | 0 | 0 | 0 | 109.7 | ||||
| 5 | D | 44.3 | Very low | 46.2 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -101.1 | 91.5 | 168.2 | -170.9 | -101.6 | 0 | 0 | 0 | 106.1 | P7 | D5-P7 WeakPolarHBondContact O-CD 3.49Š| ||
| 6 | D | 49.7 | Very low | 46.3 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | trans | -65 | 110.7 | 179.3 | -173.1 | -90.4 | 0 | 0 | 0 | 109.9 | L8 | D6-L8 PolarHBondContact O-N 3.19Š| ||
| 7 | P | 46.7 | Very low | 46.4 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 57% | 0.571 | 77% | 0.769 | S | S | * | * | trans | -77.9 | 110.7 | 176.8 | -6.8 | 25.3 | 0 | 0 | 0 | 107.9 | D5 H9 | D5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-H9 VanDerWaalsContact C-N 3.3Å; P7-H9 PolarHBondContact O-CD2 2.93Å; P7-H9 PolarHBondContact O-N 3.49Å | ||
| 8 | L | 44.7 | Very low | 46.8 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -50.7 | 93.2 | 167.3 | -75.1 | 164.8 | 0 | 0 | 0 | 110.3 | D6 | D6-L8 PolarHBondContact O-N 3.19Š| ||
| 9 | H | 46.4 | Very low | 46.9 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 125.9 | 169.3 | -74.6 | 175.7 | 0 | 0 | 0 | 108.5 | P7 | P7-H9 VanDerWaalsContact C-N 3.3Å; P7-H9 PolarHBondContact O-CD2 2.93Å; P7-H9 PolarHBondContact O-N 3.49Å |
| 10 | P | 50.2 | Low | 47 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 137.3 | 166.8 | 27.1 | -32.1 | 0 | 0 | 0 | 108 | ||
| 11 | P | 47.3 | Very low | 47.4 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.8 | -179.1 | 24.7 | -33.6 | 0 | 0 | 0 | 109.7 | C13 | P11-C13 PolarHBondContact O-N 3.22Å; P11-C13 VanDerWaalsContact O-N 3.09Å |
| 12 | P | 41.4 | Very low | 48.2 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 119.6 | 173.3 | 24.2 | -31.6 | 0 | 0 | 0 | 108.6 | S14 | P12-S14 PolarHBondContact O-N 3.14Š|
| 13 | C | 47.7 | Very low | 48.6 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 97% | 0.966 | 75% | 0.745 | S | S | * | * | trans | -71.2 | 76.5 | 170.3 | -165.1 | 0 | 0 | 0 | 0 | 108.2 | P11 | P11-C13 PolarHBondContact O-N 3.22Å; P11-C13 VanDerWaalsContact O-N 3.09Å | ||
| 14 | S | 55.9 | Low | 49 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | trans | -158.4 | 122.9 | 180 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | P12 | P12-S14 PolarHBondContact O-N 3.14Š| ||
| 15 | S | 53.3 | Low | 49.8 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 92.8 | 2.4 | 156.4 | 68.1 | 0 | 0 | 0 | 0 | 121.9 | ||
| 16 | V | 48.7 | Very low | 50.3 | Low | 146 Ų | 146 | 128.5 Ų | 128.5 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -122.5 | 57.8 | 163.7 | -163 | 0 | 0 | 0 | 0 | 111.6 | ||
| 17 | A | 47 | Very low | 50.9 | Low | 87 Ų | 87 | 126.9 Ų | 126.9 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -148.9 | 22.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 18 | M | 54 | Low | 52.3 | Low | 139 Ų | 139 | 129.5 Ų | 129.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -102.5 | -2.4 | 179.5 | 66.3 | -170.1 | -176.5 | 0 | 0 | 114.2 | ||
| 19 | E | 48.3 | Very low | 54.6 | Low | 172 Ų | 172 | 122.4 Ų | 122.4 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -120.5 | -3 | -175.1 | -57.4 | -155 | 126.8 | 0 | 0 | 115.7 | ||
| 20 | T | 49.8 | Very low | 57 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 85% | 0.847 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -110.5 | 28.3 | 178 | -31.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 21 | V | 55.8 | Low | 59.2 | Low | 90 Ų | 90 | 111.8 Ų | 111.8 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -125.7 | 5.9 | 177.2 | -83 | 0 | 0 | 0 | 0 | 114.8 | ||
| 22 | M | 55.1 | Low | 61.5 | Low | 155 Ų | 155 | 110.5 Ų | 110.5 | 76% | 0.764 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -102.4 | 23.6 | -177.9 | -64.7 | -61.4 | 140.2 | 0 | 0 | 114.4 | ||
| 23 | S | 52.3 | Low | 64.1 | Low | 122 Ų | 122 | 107.7 Ų | 107.7 | 85% | 0.853 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -153.5 | 15.7 | 171.3 | -137.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 24 | G | 49.3 | Very low | 66.5 | Low | 59 Ų | 59 | 103.6 Ų | 103.6 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -83.3 | 108.6 | 154 | 0 | 0 | 0 | 0 | 0 | 105.9 | R26 | G24-R26 PolarHBondContact O-N 3.13Š|
| 25 | R | 57 | Low | 68.4 | Low | 245 Ų | 245 | 107.5 Ų | 107.5 | 93% | 0.925 | 59% | 0.593 | S | S | * | * | trans | -42.7 | 101.5 | 177.3 | -75.3 | 179.9 | -170.7 | -121.5 | 1.5 | 108.5 | P27 | R25-P27 WeakPolarHBondContact O-CD 3.44Å; R25-P27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | R | 56.5 | Low | 70.4 | Confident | 153 Ų | 153 | 103.8 Ų | 103.8 | 58% | 0.577 | 57% | 0.569 | S | S | * | * | trans | -57.3 | 124.9 | 167.1 | -57.4 | -178.7 | 87.5 | -170.4 | 8.7 | 103 | G24 D28 | G24-R26 PolarHBondContact O-N 3.13Å; R26-D28 PolarHBondContact O-N 3.2Å | ||
| 27 | P | 61 | Low | 72.6 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | trans | -52.2 | 124.7 | 174.3 | 19.7 | -29.2 | 0 | 0 | 0 | 106 | R25 L29 | R25-P27 WeakPolarHBondContact O-CD 3.44Å; R25-P27 VanDerWaalsContact O-N 3.14Å; P27-L29 VanDerWaalsContact C-N 3.31Å; P27-L29 HydrophobicContact CB-CD2 4.32Å; P27-L29 HydrophobicContact CG-CD2 4.04Å; P27-L29 WeakPolarHBondContact O-CG 3.37Å; P27-L29 PolarHBondContact O-N 3.33Å | ||
| 28 | D | 77.7 | Confident | 74.9 | Confident | 143 Ų | 143 | 97.3 Ų | 97.3 | 77% | 0.765 | 52% | 0.521 | S | S | * | . | trans | -57.7 | 102.8 | 178 | -71.5 | -43.7 | 0 | 0 | 0 | 106.1 | R26 V30 | R26-D28 PolarHBondContact O-N 3.2Å; D28-V30 HydrophobicContact CB-CG2 3.9Å; D28-V30 PolarHBondContact O-N 3.17Å | ||
| 29 | L | 92.8 | Very high | 76.9 | Confident | 15 Ų | 15 | 92 Ų | 92 | 8% | 0.079 | 50% | 0.496 | C | S | . | . | trans | -78.7 | 53 | -175.8 | -63.5 | -170.6 | 0 | 0 | 0 | 109.5 | P27 S37 Y38 A100 V101 | P27-L29 VanDerWaalsContact C-N 3.31Å; P27-L29 HydrophobicContact CB-CD2 4.32Å; P27-L29 HydrophobicContact CG-CD2 4.04Å; P27-L29 WeakPolarHBondContact O-CG 3.37Å; P27-L29 PolarHBondContact O-N 3.33Å; L29-S37 CarbonylContact O-C 3.51Å; L29-S37 VanDerWaalsContact O-CA 3.3Å; L29-S37 WeakPolarHBondContact O-CA 3.49Å; L29-Y38 HydrophobicContact CB-CD2 4.14Å; L29-Y38 WeakPolarHBondContact O-CD2 3.08Å; L29-Y38 PolarHBondContact O-N 3.09Å; L29-A100 HydrophobicContact CD1-CB 3.71Å; L29-A100 HydrophobicContact CD2-CB 3.84Å; L29-A100 HydrophobicContact CG-CB 4.36Å; L29-V101 HydrophobicContact CB-CG2 4.46Å; L29-V101 HydrophobicContact CD1-CB 4.41Å; L29-V101 HydrophobicContact CD1-CG2 3.73Å | ||
| 30 | V | 95.3 | Very high | 79.1 | Confident | 53 Ų | 53 | 86 Ų | 86 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 146.7 | -175.5 | -57 | 0 | 0 | 0 | 0 | 108.9 | D28 G36 Y38 | D28-V30 HydrophobicContact CB-CG2 3.9Å; D28-V30 PolarHBondContact O-N 3.17Å; V30-G36 WeakPolarHBondContact CA-O 3.43Å; V30-Y38 WeakPolarHBondContact O-CE2 3.3Å; V30-Y38 PolarHBondContact O-OH 2.94Å |
| 31 | C | 96.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 47% | 0.465 | C | S | . | . | trans | -85.6 | 128.8 | 174 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | V33 F35 G36 Y38 C55 C58 | C31-V33 PolarHBondContact O-N 3.3Å; C31-V33 VanDerWaalsContact O-N 3.14Å; C31-F35 WeakPolarHBondContact O-CA 3.36Å; C31-F35 PolarHBondContact O-N 2.95Å; C31-G36 PolarHBondContact N-O 3.3Å; C31-Y38 HydrophobicContact CB-CD1 4.45Å; C31-Y38 HydrophobicContact CB-CE1 3.67Å; C31-C55 HydrophobicContact CB-CB 3.72Å; C31-C55 PolarHBondContact SG-N 3.5Å; C31-C58 PolarHBondContact SG-SG 3.48Å | ||
| 32 | I | 95.2 | Very high | 82.9 | Confident | 84 Ų | 84 | 85.9 Ų | 85.9 | 43% | 0.431 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.4 | 179.4 | 70.8 | 169.7 | 0 | 0 | 0 | 114.4 | F35 F54 Q76 | I32-F35 WeakPolarHBondContact O-CZ 3.38Å; I32-F54 HydrophobicContact CD1-CE1 3.75Å; I32-F54 HydrophobicContact CG1-CD1 4.04Å; I32-F54 HydrophobicContact CG1-CE1 3.65Å; I32-Q76 HydrophobicContact CD1-CG 3.47Å; I32-Q76 VanDerWaalsContact CD1-CG 3.47Å |
| 33 | V | 96.8 | Very high | 84.9 | Confident | 58 Ų | 58 | 82.9 Ų | 82.9 | 35% | 0.352 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -43.9 | -178.7 | 176 | 0 | 0 | 0 | 0 | 111.4 | C31 F54 C58 P75 | C31-V33 PolarHBondContact O-N 3.3Å; C31-V33 VanDerWaalsContact O-N 3.14Å; V33-F54 HydrophobicContact CG2-CD1 3.64Å; V33-F54 HydrophobicContact CG2-CE1 4.08Å; V33-C58 HydrophobicContact CB-CB 4.14Å; V33-C58 HydrophobicContact CG1-CB 4.07Å; V33-P75 HydrophobicContact CG2-CB 4.25Å; V33-P75 HydrophobicContact CG2-CG 3.82Å |
| 34 | C | 97.1 | Very high | 87 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -2.9 | -177.9 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | G36 C58 | C34-G36 PolarHBondContact O-N 2.76Å; C34-G36 PolarHBondContact SG-N 3.07Å; C34-C58 PolarHBondContact SG-SG 2.76Å |
| 35 | F | 95.8 | Very high | 89.3 | Confident | 167 Ų | 167 | 75.3 Ų | 75.3 | 73% | 0.732 | 38% | 0.378 | S | S | * | . | trans | 54.4 | 12.2 | -173.9 | -55.7 | -78.8 | 0 | 0 | 0 | 114.9 | C31 I32 | C31-F35 WeakPolarHBondContact O-CA 3.36Å; C31-F35 PolarHBondContact O-N 2.95Å; I32-F35 WeakPolarHBondContact O-CZ 3.38Å | ||
| 36 | G | 95.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 146.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V30 C31 C34 | V30-G36 WeakPolarHBondContact CA-O 3.43Å; C31-G36 PolarHBondContact N-O 3.3Å; C34-G36 PolarHBondContact O-N 2.76Å; C34-G36 PolarHBondContact SG-N 3.07Å |
| 37 | S | 95.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 61.1 Ų | 61.1 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 142.3 | 173.1 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | L29 R43 | L29-S37 CarbonylContact O-C 3.51Å; L29-S37 VanDerWaalsContact O-CA 3.3Å; L29-S37 WeakPolarHBondContact O-CA 3.49Å; S37-R43 WeakPolarHBondContact O-CD 3.36Å; S37-R43 PolarHBondContact O-NE 2.96Å |
| 38 | Y | 96.4 | Very high | 95 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -66 | 144.9 | 171.9 | -65.6 | -50.7 | 0 | 0 | 0 | 111.1 | L29 V30 C31 R43 P45 A53 C55 | L29-Y38 HydrophobicContact CB-CD2 4.14Å; L29-Y38 WeakPolarHBondContact O-CD2 3.08Å; L29-Y38 PolarHBondContact O-N 3.09Å; V30-Y38 WeakPolarHBondContact O-CE2 3.3Å; V30-Y38 PolarHBondContact O-OH 2.94Å; C31-Y38 HydrophobicContact CB-CD1 4.45Å; C31-Y38 HydrophobicContact CB-CE1 3.67Å; Y38-R43 WeakPolarHBondContact CA-O 3.31Å; Y38-R43 VanDerWaalsContact CD1-O 3.25Å; Y38-R43 WeakPolarHBondContact CD1-O 3.18Å; Y38-P45 HydrophobicContact CD1-CB 4.02Å; Y38-P45 HydrophobicContact CD2-CB 4.11Å; Y38-P45 HydrophobicContact CE1-CB 3.98Å; Y38-P45 HydrophobicContact CE2-CB 4.1Å; Y38-P45 HydrophobicContact CG-CB 4.09Å; Y38-P45 HydrophobicContact CG-CG 4.41Å; Y38-A53 PolarHBondContact OH-O 3.18Å; Y38-C55 HydrophobicContact CD1-CB 4.21Å; Y38-C55 HydrophobicContact CE1-CB 3.96Å |
| 39 | D | 94.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | trans | -140.3 | 165.2 | 176.4 | 62.7 | 57.2 | 0 | 0 | 0 | 110.6 | L41 T42 R43 L44 | D39-L41 VanDerWaalsContact C-N 3.26Å; D39-L41 PolarHBondContact O-N 3.33Å; D39-L41 PolarHBondContact OD1-N 3.27Å; D39-L41 VanDerWaalsContact OD1-N 3.08Å; D39-T42 PolarHBondContact OD1-N 3.1Å; D39-T42 PolarHBondContact OD1-OG1 3.4Å; D39-T42 PolarHBondContact OD2-OG1 3.41Å; D39-R43 PolarHBondContact N-O 3.44Å; D39-R43 VanDerWaalsContact N-O 3.13Å; D39-R43 CarbonylContact O-C 3.58Å; D39-R43 PolarHBondContact OD1-N 3.16Å; D39-R43 WeakPolarHBondContact OD2-CB 3.13Å; D39-R43 IonicContact OD2-CZ 3.45Å; D39-R43 IonicContact OD2-NE 2.85Å; D39-R43 PolarHBondContact OD2-NE 2.74Å; D39-R43 IonicContact OD2-NH2 3.17Å; D39-R43 PolarHBondContact OD2-NH2 2.9Å; D39-R43 VanDerWaalsContact OD2-NH2 3.17Å; D39-L44 WeakPolarHBondContact O-CA 3.39Å; D39-L44 PolarHBondContact O-N 3.09Å; D39-L44 VanDerWaalsContact O-N 3.15Å | ||
| 40 | L | 94.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -84.4 | 7.2 | -176.1 | -56.1 | -174.8 | 0 | 0 | 0 | 113.8 | L44 F98 V101 K102 | L40-L44 WeakPolarHBondContact O-CD1 3.38Å; L40-F98 HydrophobicContact CD2-CD2 3.87Å; L40-F98 HydrophobicContact CD2-CE2 3.59Å; L40-F98 HydrophobicContact CD2-CZ 4.23Å; L40-V101 HydrophobicContact CD2-CB 4.13Å; L40-V101 HydrophobicContact CD2-CG1 3.61Å; L40-V101 HydrophobicContact CG-CG1 3.94Å; L40-K102 HydrophobicContact CD1-CB 4.48Å; L40-K102 HydrophobicContact CD1-CG 4.49Å |
| 41 | L | 92.3 | Very high | 96.2 | Very high | 146 Ų | 146 | 56.2 Ų | 56.2 | 76% | 0.764 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -118 | -60.9 | -174.9 | -61.6 | 178.9 | 0 | 0 | 0 | 112.8 | D39 L44 | D39-L41 VanDerWaalsContact C-N 3.26Å; D39-L41 PolarHBondContact O-N 3.33Å; D39-L41 PolarHBondContact OD1-N 3.27Å; D39-L41 VanDerWaalsContact OD1-N 3.08Å; L41-L44 VanDerWaalsContact C-CD1 3.44Å; L41-L44 WeakPolarHBondContact O-CD1 3.36Å |
| 42 | T | 94.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 59 Ų | 59 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -114.5 | -32.9 | -170.3 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | D39 A57 | D39-T42 PolarHBondContact OD1-N 3.1Å; D39-T42 PolarHBondContact OD1-OG1 3.4Å; D39-T42 PolarHBondContact OD2-OG1 3.41Å; T42-A57 PolarHBondContact O-N 2.86Å |
| 43 | R | 96.7 | Very high | 96.3 | Very high | 91 Ų | 91 | 56 Ų | 56 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | trans | -111.2 | 46.3 | -178.7 | -66.2 | 180 | -72.3 | -151.9 | 3 | 110.9 | S37 Y38 D39 C55 | S37-R43 WeakPolarHBondContact O-CD 3.36Å; S37-R43 PolarHBondContact O-NE 2.96Å; Y38-R43 WeakPolarHBondContact CA-O 3.31Å; Y38-R43 VanDerWaalsContact CD1-O 3.25Å; Y38-R43 WeakPolarHBondContact CD1-O 3.18Å; D39-R43 PolarHBondContact N-O 3.44Å; D39-R43 VanDerWaalsContact N-O 3.13Å; D39-R43 CarbonylContact O-C 3.58Å; D39-R43 PolarHBondContact OD1-N 3.16Å; D39-R43 WeakPolarHBondContact OD2-CB 3.13Å; D39-R43 IonicContact OD2-CZ 3.45Å; D39-R43 IonicContact OD2-NE 2.85Å; D39-R43 PolarHBondContact OD2-NE 2.74Å; D39-R43 IonicContact OD2-NH2 3.17Å; D39-R43 PolarHBondContact OD2-NH2 2.9Å; D39-R43 VanDerWaalsContact OD2-NH2 3.17Å; R43-C55 HydrophobicContact CB-CB 3.97Å; R43-C55 HydrophobicContact CG-CB 4.12Å | ||
| 44 | L | 97 | Very high | 96.3 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | trans | -63.3 | 136.7 | 169.7 | -76.8 | 79.4 | 0 | 0 | 0 | 109.5 | D39 L40 L41 R46 Q56 L93 F98 | D39-L44 WeakPolarHBondContact O-CA 3.39Å; D39-L44 PolarHBondContact O-N 3.09Å; D39-L44 VanDerWaalsContact O-N 3.15Å; L40-L44 WeakPolarHBondContact O-CD1 3.38Å; L41-L44 VanDerWaalsContact C-CD1 3.44Å; L41-L44 WeakPolarHBondContact O-CD1 3.36Å; L44-R46 PolarHBondContact O-N 3.4Å; L44-Q56 PolarHBondContact O-N 3.21Å; L44-L93 HydrophobicContact CB-CD2 4.1Å; L44-L93 HydrophobicContact CD2-CD2 3.87Å; L44-F98 HydrophobicContact CD2-CD2 4.5Å; L44-F98 HydrophobicContact CD2-CE2 4.24Å | ||
| 45 | P | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 118.4 | 176.7 | 30.7 | -33.4 | 0 | 0 | 0 | 109.7 | Y38 L93 D94 F98 | Y38-P45 HydrophobicContact CD1-CB 4.02Å; Y38-P45 HydrophobicContact CD2-CB 4.11Å; Y38-P45 HydrophobicContact CE1-CB 3.98Å; Y38-P45 HydrophobicContact CE2-CB 4.1Å; Y38-P45 HydrophobicContact CG-CB 4.09Å; Y38-P45 HydrophobicContact CG-CG 4.41Å; P45-L93 WeakPolarHBondContact O-CA 3.25Å; P45-D94 HydrophobicContact CB-CB 4.26Å; P45-D94 PolarHBondContact O-N 3.34Å; P45-F98 HydrophobicContact CG-CB 4.27Å |
| 46 | R | 97.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.3 | -178.6 | -70.1 | -169.6 | 179.8 | -86.5 | 3.7 | 111.1 | L44 A53 F54 Q56 L59 A88 A89 L91 D92 L93 | L44-R46 PolarHBondContact O-N 3.4Å; R46-A53 CarbonylContact O-C 3.2Å; R46-A53 VanDerWaalsContact O-CA 3.24Å; R46-A53 WeakPolarHBondContact O-CA 3.31Å; R46-F54 PolarHBondContact N-O 3.24Å; R46-F54 PolarHBondContact O-N 3.24Å; R46-Q56 HydrophobicContact CG-CB 4.37Å; R46-L59 HydrophobicContact CB-CD1 3.57Å; R46-A88 WeakPolarHBondContact CD-O 3.03Å; R46-A88 PolarHBondContact NE-O 3.33Å; R46-A89 VanDerWaalsContact CZ-C 3.47Å; R46-A89 PolarHBondContact NH1-O 3.15Å; R46-A89 VanDerWaalsContact NH2-CA 3.33Å; R46-A89 PolarHBondContact NH2-O 3.48Å; R46-L91 HydrophobicContact CB-CB 4.33Å; R46-L91 PolarHBondContact NH1-O 2.85Å; R46-D92 CarbonylContact C-O 3.52Å; R46-D92 VanDerWaalsContact CA-O 3.29Å; R46-D92 WeakPolarHBondContact CA-O 3.29Å; R46-L93 HydrophobicContact CG-CD2 4.11Å |
| 47 | R | 97.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.9 | -174.2 | -160.8 | 171.8 | 62.3 | -103.9 | -9 | 110.4 | G51 H52 D92 L93 | R47-G51 WeakPolarHBondContact CD-O 3.47Å; R47-G51 VanDerWaalsContact CG-O 3.31Å; R47-G51 WeakPolarHBondContact CG-O 3.47Å; R47-H52 WeakPolarHBondContact CA-O 3.34Å; R47-D92 HydrophobicContact CB-CB 4.48Å; R47-D92 PolarHBondContact N-O 3.37Å; R47-D92 IonicContact NH2-OD2 3.1Å; R47-D92 PolarHBondContact NH2-OD2 3.01Å; R47-D92 VanDerWaalsContact NH2-OD2 3.1Å; R47-L93 PolarHBondContact NH1-O 2.88Å |
| 48 | L | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | trans | -80.7 | 167.1 | 168.6 | -64.9 | -178.7 | 0 | 0 | 0 | 109.9 | C50 G51 H52 F54 L59 I72 C74 T81 L91 | L48-C50 PolarHBondContact O-N 2.91Å; L48-C50 VanDerWaalsContact O-N 3.1Å; L48-G51 PolarHBondContact O-N 2.8Å; L48-H52 PolarHBondContact N-O 3.02Å; L48-F54 HydrophobicContact CD1-CD2 4.01Å; L48-F54 HydrophobicContact CD1-CE2 3.82Å; L48-F54 HydrophobicContact CG-CD2 4.33Å; L48-F54 HydrophobicContact CG-CE2 4.44Å; L48-L59 HydrophobicContact CD1-CD2 4.35Å; L48-L59 HydrophobicContact CD2-CD1 4.29Å; L48-L59 HydrophobicContact CD2-CD2 4.08Å; L48-L59 HydrophobicContact CG-CD2 4.36Å; L48-I72 HydrophobicContact CD1-CG2 4.5Å; L48-I72 HydrophobicContact CD2-CB 4.21Å; L48-I72 HydrophobicContact CD2-CG2 3.73Å; L48-C74 HydrophobicContact CD1-CB 3.64Å; L48-T81 WeakPolarHBondContact CB-OG1 3.34Å; L48-T81 HydrophobicContact CD2-CG2 4.27Å; L48-L91 HydrophobicContact CD2-CD1 3.77Å | ||
| 49 | H | 96.1 | Very high | 96.7 | Very high | 103 Ų | 103 | 40 Ų | 40 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.9 | -178.6 | 70 | 80.1 | 0 | 0 | 0 | 113.2 | G51 N80 T81 | H49-G51 PolarHBondContact O-N 3.17Å; H49-N80 PolarHBondContact CD2-O 2.79Å; H49-N80 VanDerWaalsContact CD2-O 3.23Å; H49-N80 PolarHBondContact NE2-O 3.1Å; H49-T81 HydrophobicContact CB-CG2 4.42Å; H49-T81 VanDerWaalsContact CD2-CA 3.41Å; H49-T81 WeakPolarHBondContact CD2-CA 3.41Å; H49-T81 PolarHBondContact CD2-OG1 3.03Å; H49-T81 PolarHBondContact N-OG1 2.77Å |
| 50 | C | 97.6 | Very high | 96.8 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -1 | 178.8 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | L48 H52 C74 C77 Q79 | L48-C50 PolarHBondContact O-N 2.91Å; L48-C50 VanDerWaalsContact O-N 3.1Å; C50-H52 PolarHBondContact O-N 2.85Å; C50-H52 PolarHBondContact SG-ND1 3.43Å; C50-H52 VanDerWaalsContact SG-ND1 3.36Å; C50-C74 VanDerWaalsContact SG-SG 3.61Å; C50-C77 PolarHBondContact SG-SG 3.42Å; C50-Q79 HydrophobicContact CB-CB 4.04Å; C50-Q79 HydrophobicContact CB-CG 4.32Å |
| 51 | G | 96.5 | Very high | 96.9 | Very high | 45 Ų | 45 | 51.9 Ų | 51.9 | 46% | 0.464 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 90.3 | -12.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R47 L48 H49 | R47-G51 WeakPolarHBondContact CD-O 3.47Å; R47-G51 VanDerWaalsContact CG-O 3.31Å; R47-G51 WeakPolarHBondContact CG-O 3.47Å; L48-G51 PolarHBondContact O-N 2.8Å; H49-G51 PolarHBondContact O-N 3.17Å |
| 52 | H | 97.5 | Very high | 97 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 27% | 0.269 | 23% | 0.234 | S | C | . | . | trans | -74.6 | 144 | 177.5 | -65 | 108.3 | 0 | 0 | 0 | 112.4 | R47 L48 C50 F54 Q76 C77 | R47-H52 WeakPolarHBondContact CA-O 3.34Å; L48-H52 PolarHBondContact N-O 3.02Å; C50-H52 PolarHBondContact O-N 2.85Å; C50-H52 PolarHBondContact SG-ND1 3.43Å; C50-H52 VanDerWaalsContact SG-ND1 3.36Å; H52-F54 HydrophobicContact CB-CE2 3.65Å; H52-F54 HydrophobicContact CB-CZ 3.98Å; H52-Q76 PolarHBondContact CD2-NE2 3.44Å; H52-Q76 PolarHBondContact CD2-OE1 3.14Å; H52-C77 PolarHBondContact ND1-SG 2.81Å | ||
| 53 | A | 97.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y38 R46 D94 | Y38-A53 PolarHBondContact OH-O 3.18Å; R46-A53 CarbonylContact O-C 3.2Å; R46-A53 VanDerWaalsContact O-CA 3.24Å; R46-A53 WeakPolarHBondContact O-CA 3.31Å; A53-D94 HydrophobicContact CB-CB 3.8Å |
| 54 | F | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 165.3 | 179.7 | -53.9 | -86.3 | 0 | 0 | 0 | 111.1 | I32 V33 R46 L48 H52 L59 P75 Q76 | I32-F54 HydrophobicContact CD1-CE1 3.75Å; I32-F54 HydrophobicContact CG1-CD1 4.04Å; I32-F54 HydrophobicContact CG1-CE1 3.65Å; V33-F54 HydrophobicContact CG2-CD1 3.64Å; V33-F54 HydrophobicContact CG2-CE1 4.08Å; R46-F54 PolarHBondContact N-O 3.24Å; R46-F54 PolarHBondContact O-N 3.24Å; L48-F54 HydrophobicContact CD1-CD2 4.01Å; L48-F54 HydrophobicContact CD1-CE2 3.82Å; L48-F54 HydrophobicContact CG-CD2 4.33Å; L48-F54 HydrophobicContact CG-CE2 4.44Å; H52-F54 HydrophobicContact CB-CE2 3.65Å; H52-F54 HydrophobicContact CB-CZ 3.98Å; F54-L59 HydrophobicContact CB-CD1 4.45Å; F54-L59 HydrophobicContact CB-CD2 3.68Å; F54-L59 HydrophobicContact CB-CG 3.93Å; F54-L59 HydrophobicContact CD2-CD2 3.87Å; F54-L59 HydrophobicContact CG-CD2 4.05Å; F54-P75 HydrophobicContact CD1-CG 4.27Å; F54-P75 HydrophobicContact CE1-CB 3.97Å; F54-P75 HydrophobicContact CE1-CG 3.82Å; F54-P75 HydrophobicContact CE2-CG 4.5Å; F54-P75 HydrophobicContact CZ-CB 4.15Å; F54-P75 VanDerWaalsContact CZ-CD 3.5Å; F54-P75 HydrophobicContact CZ-CG 3.97Å; F54-Q76 HydrophobicContact CE1-CG 4.26Å; F54-Q76 HydrophobicContact CZ-CB 4.46Å; F54-Q76 HydrophobicContact CZ-CG 3.92Å |
| 55 | C | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 138.8 | 178.7 | 96.4 | 0 | 0 | 0 | 0 | 110.7 | C31 Y38 R43 A57 C58 L59 | C31-C55 HydrophobicContact CB-CB 3.72Å; C31-C55 PolarHBondContact SG-N 3.5Å; Y38-C55 HydrophobicContact CD1-CB 4.21Å; Y38-C55 HydrophobicContact CE1-CB 3.96Å; R43-C55 HydrophobicContact CB-CB 3.97Å; R43-C55 HydrophobicContact CG-CB 4.12Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 3.07Å; C55-C58 HydrophobicContact CB-CB 4.23Å; C55-C58 WeakPolarHBondContact CB-SG 3.46Å; C55-C58 WeakPolarHBondContact O-CA 3.39Å; C55-C58 VanDerWaalsContact O-CB 3.22Å; C55-C58 WeakPolarHBondContact O-CB 3.34Å; C55-C58 PolarHBondContact O-N 2.73Å; C55-C58 WeakPolarHBondContact SG-CB 3.44Å; C55-C58 PolarHBondContact SG-N 2.94Å; C55-C58 CovalentContact SG-SG 2.08Å; C55-C58 PolarHBondContact SG-SG 2.81Å; C55-L59 PolarHBondContact O-N 3.09Å |
| 56 | Q | 97.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -52.1 | -44.6 | 177.1 | 175 | -177 | -86.3 | 0 | 0 | 112.2 | L44 R46 C58 L59 K60 | L44-Q56 PolarHBondContact O-N 3.21Å; R46-Q56 HydrophobicContact CG-CB 4.37Å; Q56-C58 PolarHBondContact O-N 3.3Å; Q56-L59 PolarHBondContact O-N 3.16Å; Q56-K60 HydrophobicContact CG-CD 4.47Å; Q56-K60 WeakPolarHBondContact O-CG 3.37Å; Q56-K60 PolarHBondContact O-N 3.4Å |
| 57 | A | 97.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 24% | 0.24 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.8 | -32.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | T42 C55 | T42-A57 PolarHBondContact O-N 2.86Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 3.07Å |
| 58 | C | 98.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.4 | -49.9 | 178.8 | -51.1 | 0 | 0 | 0 | 0 | 109.8 | C31 V33 C34 C55 Q56 K60 R61 L62 | C31-C58 PolarHBondContact SG-SG 3.48Å; V33-C58 HydrophobicContact CB-CB 4.14Å; V33-C58 HydrophobicContact CG1-CB 4.07Å; C34-C58 PolarHBondContact SG-SG 2.76Å; C55-C58 HydrophobicContact CB-CB 4.23Å; C55-C58 WeakPolarHBondContact CB-SG 3.46Å; C55-C58 WeakPolarHBondContact O-CA 3.39Å; C55-C58 VanDerWaalsContact O-CB 3.22Å; C55-C58 WeakPolarHBondContact O-CB 3.34Å; C55-C58 PolarHBondContact O-N 2.73Å; C55-C58 WeakPolarHBondContact SG-CB 3.44Å; C55-C58 PolarHBondContact SG-N 2.94Å; C55-C58 CovalentContact SG-SG 2.08Å; C55-C58 PolarHBondContact SG-SG 2.81Å; Q56-C58 PolarHBondContact O-N 3.3Å; C58-K60 VanDerWaalsContact C-N 3.27Å; C58-K60 PolarHBondContact O-N 2.73Å; C58-R61 PolarHBondContact O-N 3.27Å; C58-L62 PolarHBondContact O-N 2.84Å |
| 59 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.8 | -36.3 | 179.2 | -65.6 | -176.2 | 0 | 0 | 0 | 112.7 | R46 L48 F54 C55 Q56 R61 L62 I72 A88 L91 | R46-L59 HydrophobicContact CB-CD1 3.57Å; L48-L59 HydrophobicContact CD1-CD2 4.35Å; L48-L59 HydrophobicContact CD2-CD1 4.29Å; L48-L59 HydrophobicContact CD2-CD2 4.08Å; L48-L59 HydrophobicContact CG-CD2 4.36Å; F54-L59 HydrophobicContact CB-CD1 4.45Å; F54-L59 HydrophobicContact CB-CD2 3.68Å; F54-L59 HydrophobicContact CB-CG 3.93Å; F54-L59 HydrophobicContact CD2-CD2 3.87Å; F54-L59 HydrophobicContact CG-CD2 4.05Å; C55-L59 PolarHBondContact O-N 3.09Å; Q56-L59 PolarHBondContact O-N 3.16Å; L59-R61 PolarHBondContact O-N 3.23Å; L59-R61 VanDerWaalsContact O-N 3.13Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 PolarHBondContact O-N 2.73Å; L59-L62 VanDerWaalsContact O-N 3.15Å; L59-I72 HydrophobicContact CD2-CG2 4Å; L59-A88 HydrophobicContact CB-CB 3.75Å; L59-L91 HydrophobicContact CD1-CD1 3.64Å |
| 60 | K | 95.8 | Very high | 95.7 | Very high | 110 Ų | 110 | 64 Ų | 64 | 48% | 0.478 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.2 | 174.6 | -75.2 | 178.8 | 179.2 | -179.6 | 0 | 113.9 | Q56 C58 A88 | Q56-K60 HydrophobicContact CG-CD 4.47Å; Q56-K60 WeakPolarHBondContact O-CG 3.37Å; Q56-K60 PolarHBondContact O-N 3.4Å; C58-K60 VanDerWaalsContact C-N 3.27Å; C58-K60 PolarHBondContact O-N 2.73Å; K60-A88 HydrophobicContact CG-CB 3.81Å |
| 61 | R | 96 | Very high | 95.6 | Very high | 213 Ų | 213 | 65.6 Ų | 65.6 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -6.8 | -177.7 | -61.8 | 174.8 | -176.2 | 172.6 | 0 | 113.1 | C58 L59 | C58-R61 PolarHBondContact O-N 3.27Å; L59-R61 PolarHBondContact O-N 3.23Å; L59-R61 VanDerWaalsContact O-N 3.13Å |
| 62 | L | 95.3 | Very high | 95.7 | Very high | 46 Ų | 46 | 63.4 Ų | 63.4 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | trans | -95.5 | -0.6 | -176.8 | -68.5 | 173.5 | 0 | 0 | 0 | 112.9 | C58 L59 T64 I72 P73 P75 | C58-L62 PolarHBondContact O-N 2.84Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 PolarHBondContact O-N 2.73Å; L59-L62 VanDerWaalsContact O-N 3.15Å; L62-T64 PolarHBondContact O-N 3.38Å; L62-I72 HydrophobicContact CB-CG2 4.23Å; L62-P73 WeakPolarHBondContact O-CD 3.5Å; L62-P75 HydrophobicContact CD1-CG 3.71Å | ||
| 63 | D | 92.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | trans | -55.1 | 130.7 | -179.8 | -70.6 | -26.9 | 0 | 0 | 0 | 111.5 | V70 W71 I72 R83 | D63-V70 HydrophobicContact CB-CG1 3.81Å; D63-W71 CarbonylContact C-O 3.53Å; D63-W71 WeakPolarHBondContact CA-O 3.22Å; D63-I72 WeakPolarHBondContact OD1-CG1 3.44Å; D63-R83 VanDerWaalsContact CG-NE 3.27Å; D63-R83 VanDerWaalsContact OD1-CD 3.27Å; D63-R83 WeakPolarHBondContact OD1-CD 3.21Å; D63-R83 IonicContact OD1-NE 2.75Å; D63-R83 PolarHBondContact OD1-NE 2.73Å; D63-R83 IonicContact OD2-CZ 3.13Å; D63-R83 IonicContact OD2-NE 3.21Å; D63-R83 PolarHBondContact OD2-NE 3.08Å; D63-R83 IonicContact OD2-NH2 2.89Å; D63-R83 PolarHBondContact OD2-NH2 3.13Å | ||
| 64 | T | 93.3 | Very high | 95.7 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.9 | 172.5 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | L62 V70 W71 P73 | L62-T64 PolarHBondContact O-N 3.38Å; T64-V70 CarbonylContact O-C 3.54Å; T64-V70 WeakPolarHBondContact O-CA 3.31Å; T64-W71 PolarHBondContact N-O 2.94Å; T64-W71 PolarHBondContact O-N 3.31Å; T64-P73 HydrophobicContact CG2-CG 4.19Å |
| 65 | V | 94.5 | Very high | 95.7 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 66% | 0.661 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.5 | 178 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | Q69 V70 | V65-Q69 WeakPolarHBondContact CA-O 3.5Å; V65-V70 HydrophobicContact CG2-CG2 4.41Å |
| 66 | I | 91.9 | Very high | 95.7 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 35% | 0.354 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.9 | 177.5 | -52 | 172.4 | 0 | 0 | 0 | 107.2 | E68 Q69 W71 | I66-E68 VanDerWaalsContact C-N 3.31Å; I66-E68 PolarHBondContact O-N 3.06Å; I66-Q69 PolarHBondContact N-O 3.46Å; I66-Q69 PolarHBondContact O-N 2.08Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; I66-Q69 VanDerWaalsContact O-O 3.11Å; I66-W71 HydrophobicContact CD1-CG 4.38Å; I66-W71 PolarHBondContact O-NE1 2.93Å |
| 67 | N | 93.5 | Very high | 95.7 | Very high | 150 Ų | 150 | 70.2 Ų | 70.2 | 80% | 0.802 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 48.1 | -178.4 | -55.2 | -34.7 | 0 | 0 | 0 | 112.5 | Q69 | N67-Q69 PolarHBondContact O-N 3.43Š|
| 68 | E | 92.8 | Very high | 95.6 | Very high | 198 Ų | 198 | 78.7 Ų | 78.7 | 93% | 0.925 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 2.6 | 180 | -50.6 | 179.6 | 103.1 | 0 | 0 | 115.1 | I66 | I66-E68 VanDerWaalsContact C-N 3.31Å; I66-E68 PolarHBondContact O-N 3.06Å |
| 69 | Q | 93.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 83.4 Ų | 83.4 | 40% | 0.402 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.9 | 174.8 | 176.2 | 59.6 | 61 | 0 | 0 | 110.4 | V65 I66 N67 W71 | V65-Q69 WeakPolarHBondContact CA-O 3.5Å; I66-Q69 PolarHBondContact N-O 3.46Å; I66-Q69 PolarHBondContact O-N 2.08Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; I66-Q69 VanDerWaalsContact O-O 3.11Å; N67-Q69 PolarHBondContact O-N 3.43Å; Q69-W71 HydrophobicContact CB-CZ2 4.44Å; Q69-W71 HydrophobicContact CG-CD2 4.42Å; Q69-W71 HydrophobicContact CG-CZ2 3.86Å; Q69-W71 PolarHBondContact O-NE1 3.15Å |
| 70 | V | 95.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 86.5 Ų | 86.5 | 25% | 0.248 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133.4 | 174.6 | -167 | 0 | 0 | 0 | 0 | 110.4 | D63 T64 V65 R83 | D63-V70 HydrophobicContact CB-CG1 3.81Å; T64-V70 CarbonylContact O-C 3.54Å; T64-V70 WeakPolarHBondContact O-CA 3.31Å; V65-V70 HydrophobicContact CG2-CG2 4.41Å; V70-R83 HydrophobicContact CB-CB 4.03Å; V70-R83 HydrophobicContact CG1-CB 4.07Å; V70-R83 HydrophobicContact CG1-CG 4.4Å; V70-R83 WeakPolarHBondContact O-CB 3.4Å; V70-R83 PolarHBondContact O-N 3.13Å |
| 71 | W | 96.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 81.6 Ų | 81.6 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 154.1 | -177.6 | -60.9 | 89.1 | 0 | 0 | 0 | 111.1 | D63 T64 I66 Q69 N80 T81 P82 | D63-W71 CarbonylContact C-O 3.53Å; D63-W71 WeakPolarHBondContact CA-O 3.22Å; T64-W71 PolarHBondContact N-O 2.94Å; T64-W71 PolarHBondContact O-N 3.31Å; I66-W71 HydrophobicContact CD1-CG 4.38Å; I66-W71 PolarHBondContact O-NE1 2.93Å; Q69-W71 HydrophobicContact CB-CZ2 4.44Å; Q69-W71 HydrophobicContact CG-CD2 4.42Å; Q69-W71 HydrophobicContact CG-CZ2 3.86Å; Q69-W71 PolarHBondContact O-NE1 3.15Å; W71-N80 HydrophobicContact CB-CB 4.36Å; W71-N80 HydrophobicContact CD2-CB 4.23Å; W71-N80 HydrophobicContact CE3-CB 3.68Å; W71-N80 HydrophobicContact CZ3-CB 4.36Å; W71-T81 CarbonylContact C-O 3.49Å; W71-T81 WeakPolarHBondContact CA-O 3.35Å; W71-P82 HydrophobicContact CE3-CB 4.11Å; W71-P82 HydrophobicContact CH2-CB 4.28Å; W71-P82 HydrophobicContact CZ3-CB 3.81Å; W71-P82 HydrophobicContact CZ3-CG 4.2Å |
| 72 | I | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 103.6 | 172.8 | -58.9 | 168.8 | 0 | 0 | 0 | 107.1 | L48 L59 L62 D63 T81 R83 A88 L91 | L48-I72 HydrophobicContact CD1-CG2 4.5Å; L48-I72 HydrophobicContact CD2-CB 4.21Å; L48-I72 HydrophobicContact CD2-CG2 3.73Å; L59-I72 HydrophobicContact CD2-CG2 4Å; L62-I72 HydrophobicContact CB-CG2 4.23Å; D63-I72 WeakPolarHBondContact OD1-CG1 3.44Å; I72-T81 PolarHBondContact N-O 3.48Å; I72-T81 PolarHBondContact O-N 2.86Å; I72-R83 HydrophobicContact CD1-CB 4.31Å; I72-R83 HydrophobicContact CD1-CG 4.13Å; I72-R83 HydrophobicContact CG1-CB 4.33Å; I72-R83 HydrophobicContact CG1-CG 4.48Å; I72-A88 HydrophobicContact CD1-CB 4.38Å; I72-L91 HydrophobicContact CD1-CD1 3.84Å |
| 73 | P | 97.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 76.8 Ų | 76.8 | 21% | 0.214 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.5 | 176.5 | 30.5 | -30.7 | 0 | 0 | 0 | 110.2 | L62 T64 P75 | L62-P73 WeakPolarHBondContact O-CD 3.5Å; T64-P73 HydrophobicContact CG2-CG 4.19Å; P73-P75 VanDerWaalsContact O-CD 3.32Å; P73-P75 WeakPolarHBondContact O-CD 3.49Å |
| 74 | C | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | trans | -73.9 | 123.1 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | L48 C50 Q76 C77 R78 Q79 | L48-C74 HydrophobicContact CD1-CB 3.64Å; C50-C74 VanDerWaalsContact SG-SG 3.61Å; C74-Q76 PolarHBondContact O-N 2.88Å; C74-Q76 PolarHBondContact SG-N 3.36Å; C74-Q76 VanDerWaalsContact SG-N 3.42Å; C74-C77 PolarHBondContact SG-SG 2.83Å; C74-R78 WeakPolarHBondContact O-CA 3.35Å; C74-R78 PolarHBondContact O-N 3.44Å; C74-Q79 WeakPolarHBondContact CB-O 3.06Å; C74-Q79 PolarHBondContact N-O 3.22Å | ||
| 75 | P | 97.4 | Very high | 95.5 | Very high | 62 Ų | 62 | 86.4 Ų | 86.4 | 40% | 0.403 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.1 | 174.7 | -26.8 | 34.7 | 0 | 0 | 0 | 115.2 | V33 F54 L62 P73 | V33-P75 HydrophobicContact CG2-CB 4.25Å; V33-P75 HydrophobicContact CG2-CG 3.82Å; F54-P75 HydrophobicContact CD1-CG 4.27Å; F54-P75 HydrophobicContact CE1-CB 3.97Å; F54-P75 HydrophobicContact CE1-CG 3.82Å; F54-P75 HydrophobicContact CE2-CG 4.5Å; F54-P75 HydrophobicContact CZ-CB 4.15Å; F54-P75 VanDerWaalsContact CZ-CD 3.5Å; F54-P75 HydrophobicContact CZ-CG 3.97Å; L62-P75 HydrophobicContact CD1-CG 3.71Å; P73-P75 VanDerWaalsContact O-CD 3.32Å; P73-P75 WeakPolarHBondContact O-CD 3.49Å |
| 76 | Q | 97 | Very high | 95.2 | Very high | 101 Ų | 101 | 83.9 Ų | 83.9 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -46.7 | -177 | -71 | 175.7 | -95.2 | 0 | 0 | 113 | I32 H52 F54 C74 | I32-Q76 HydrophobicContact CD1-CG 3.47Å; I32-Q76 VanDerWaalsContact CD1-CG 3.47Å; H52-Q76 PolarHBondContact CD2-NE2 3.44Å; H52-Q76 PolarHBondContact CD2-OE1 3.14Å; F54-Q76 HydrophobicContact CE1-CG 4.26Å; F54-Q76 HydrophobicContact CZ-CB 4.46Å; F54-Q76 HydrophobicContact CZ-CG 3.92Å; C74-Q76 PolarHBondContact O-N 2.88Å; C74-Q76 PolarHBondContact SG-N 3.36Å; C74-Q76 VanDerWaalsContact SG-N 3.42Å |
| 77 | C | 97.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 80.9 Ų | 80.9 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 4.3 | -171.9 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | C50 H52 C74 Q79 | C50-C77 PolarHBondContact SG-SG 3.42Å; H52-C77 PolarHBondContact ND1-SG 2.81Å; C74-C77 PolarHBondContact SG-SG 2.83Å; C77-Q79 HydrophobicContact CB-CG 4.48Å; C77-Q79 PolarHBondContact O-N 2.94Å |
| 78 | R | 96.4 | Very high | 95.2 | Very high | 206 Ų | 206 | 73.8 Ų | 73.8 | 78% | 0.777 | 36% | 0.363 | S | S | * | . | trans | 62.6 | -0.3 | 177 | -55 | 178.7 | 178.2 | -133.5 | -1.9 | 116.2 | C74 | C74-R78 WeakPolarHBondContact O-CA 3.35Å; C74-R78 PolarHBondContact O-N 3.44Å | ||
| 79 | Q | 97.3 | Very high | 95.3 | Very high | 108 Ų | 108 | 66.5 Ų | 66.5 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 135.5 | 174.4 | -67 | -63.2 | -50.8 | 0 | 0 | 111.9 | C50 C74 C77 | C50-Q79 HydrophobicContact CB-CB 4.04Å; C50-Q79 HydrophobicContact CB-CG 4.32Å; C74-Q79 WeakPolarHBondContact CB-O 3.06Å; C74-Q79 PolarHBondContact N-O 3.22Å; C77-Q79 HydrophobicContact CB-CG 4.48Å; C77-Q79 PolarHBondContact O-N 2.94Å |
| 80 | N | 96.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.3 | -175.5 | -60.8 | 94 | 0 | 0 | 0 | 112.1 | H49 W71 | H49-N80 PolarHBondContact CD2-O 2.79Å; H49-N80 VanDerWaalsContact CD2-O 3.23Å; H49-N80 PolarHBondContact NE2-O 3.1Å; W71-N80 HydrophobicContact CB-CB 4.36Å; W71-N80 HydrophobicContact CD2-CB 4.23Å; W71-N80 HydrophobicContact CE3-CB 3.68Å; W71-N80 HydrophobicContact CZ3-CB 4.36Å |
| 81 | T | 97.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.1 | 174.4 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | L48 H49 W71 I72 R83 L91 | L48-T81 WeakPolarHBondContact CB-OG1 3.34Å; L48-T81 HydrophobicContact CD2-CG2 4.27Å; H49-T81 HydrophobicContact CB-CG2 4.42Å; H49-T81 VanDerWaalsContact CD2-CA 3.41Å; H49-T81 WeakPolarHBondContact CD2-CA 3.41Å; H49-T81 PolarHBondContact CD2-OG1 3.03Å; H49-T81 PolarHBondContact N-OG1 2.77Å; W71-T81 CarbonylContact C-O 3.49Å; W71-T81 WeakPolarHBondContact CA-O 3.35Å; I72-T81 PolarHBondContact N-O 3.48Å; I72-T81 PolarHBondContact O-N 2.86Å; T81-R83 PolarHBondContact O-N 3.19Å; T81-L91 HydrophobicContact CG2-CD2 3.78Å |
| 82 | P | 95.7 | Very high | 95.4 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 127.9 | 175.9 | 26.4 | -31.5 | 0 | 0 | 0 | 108.5 | W71 P84 | W71-P82 HydrophobicContact CE3-CB 4.11Å; W71-P82 HydrophobicContact CH2-CB 4.28Å; W71-P82 HydrophobicContact CZ3-CB 3.81Å; W71-P82 HydrophobicContact CZ3-CG 4.2Å; P82-P84 WeakPolarHBondContact O-CD 3.27Å |
| 83 | R | 95.1 | Very high | 95.4 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 123.2 | -177.6 | -175.6 | -175.1 | -170.1 | -121.3 | 19.6 | 110 | D63 V70 I72 T81 | D63-R83 VanDerWaalsContact CG-NE 3.27Å; D63-R83 VanDerWaalsContact OD1-CD 3.27Å; D63-R83 WeakPolarHBondContact OD1-CD 3.21Å; D63-R83 IonicContact OD1-NE 2.75Å; D63-R83 PolarHBondContact OD1-NE 2.73Å; D63-R83 IonicContact OD2-CZ 3.13Å; D63-R83 IonicContact OD2-NE 3.21Å; D63-R83 PolarHBondContact OD2-NE 3.08Å; D63-R83 IonicContact OD2-NH2 2.89Å; D63-R83 PolarHBondContact OD2-NH2 3.13Å; V70-R83 HydrophobicContact CB-CB 4.03Å; V70-R83 HydrophobicContact CG1-CB 4.07Å; V70-R83 HydrophobicContact CG1-CG 4.4Å; V70-R83 WeakPolarHBondContact O-CB 3.4Å; V70-R83 PolarHBondContact O-N 3.13Å; I72-R83 HydrophobicContact CD1-CB 4.31Å; I72-R83 HydrophobicContact CD1-CG 4.13Å; I72-R83 HydrophobicContact CG1-CB 4.33Å; I72-R83 HydrophobicContact CG1-CG 4.48Å; T81-R83 PolarHBondContact O-N 3.19Å |
| 84 | P | 94 | Very high | 95.3 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62 | 160.7 | 174.3 | -22.2 | 33.9 | 0 | 0 | 0 | 112.2 | P82 G86 G87 L91 | P82-P84 WeakPolarHBondContact O-CD 3.27Å; P84-G86 PolarHBondContact O-N 2.98Å; P84-G86 VanDerWaalsContact O-N 3.17Å; P84-G87 WeakPolarHBondContact O-CA 2.91Å; P84-G87 PolarHBondContact O-N 3.29Å; P84-L91 HydrophobicContact CG-CD2 3.99Å; P84-L91 HydrophobicContact CG-CG 4.42Å |
| 85 | R | 89.2 | Confident | 95.2 | Very high | 261 Ų | 261 | 72.6 Ų | 72.6 | 99% | 0.985 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.3 | 175.9 | -71.6 | -175.8 | -178.9 | -90.8 | 0.3 | 113 | G87 | R85-G87 PolarHBondContact O-N 3.06Š|
| 86 | G | 89.1 | Confident | 95.1 | Very high | 57 Ų | 57 | 73 Ų | 73 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 10.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P84 | P84-G86 PolarHBondContact O-N 2.98Å; P84-G86 VanDerWaalsContact O-N 3.17Å |
| 87 | G | 92.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 69 Ų | 69 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | 64.9 | -155.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | P84 R85 A89 G90 | P84-G87 WeakPolarHBondContact O-CA 2.91Å; P84-G87 PolarHBondContact O-N 3.29Å; R85-G87 PolarHBondContact O-N 3.06Å; G87-A89 PolarHBondContact O-N 3.29Å; G87-G90 PolarHBondContact O-N 3Å |
| 88 | A | 93.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -56.4 | -24.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R46 L59 K60 I72 G90 L91 | R46-A88 WeakPolarHBondContact CD-O 3.03Å; R46-A88 PolarHBondContact NE-O 3.33Å; L59-A88 HydrophobicContact CB-CB 3.75Å; K60-A88 HydrophobicContact CG-CB 3.81Å; I72-A88 HydrophobicContact CD1-CB 4.38Å; A88-G90 PolarHBondContact O-N 2.85Å; A88-L91 PolarHBondContact O-N 3.24Å |
| 89 | A | 94.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 37% | 0.372 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -69.7 | -14.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R46 G87 | R46-A89 VanDerWaalsContact CZ-C 3.47Å; R46-A89 PolarHBondContact NH1-O 3.15Å; R46-A89 VanDerWaalsContact NH2-CA 3.33Å; R46-A89 PolarHBondContact NH2-O 3.48Å; G87-A89 PolarHBondContact O-N 3.29Å |
| 90 | G | 94.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 60 Ų | 60 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -90 | -0.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G87 A88 | G87-G90 PolarHBondContact O-N 3Å; A88-G90 PolarHBondContact O-N 2.85Å |
| 91 | L | 96.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -78 | 152.7 | 175.2 | -64.9 | 171.5 | 0 | 0 | 0 | 111.1 | R46 L48 L59 I72 T81 P84 A88 | R46-L91 HydrophobicContact CB-CB 4.33Å; R46-L91 PolarHBondContact NH1-O 2.85Å; L48-L91 HydrophobicContact CD2-CD1 3.77Å; L59-L91 HydrophobicContact CD1-CD1 3.64Å; I72-L91 HydrophobicContact CD1-CD1 3.84Å; T81-L91 HydrophobicContact CG2-CD2 3.78Å; P84-L91 HydrophobicContact CG-CD2 3.99Å; P84-L91 HydrophobicContact CG-CG 4.42Å; A88-L91 PolarHBondContact O-N 3.24Å |
| 92 | D | 96.7 | Very high | 94.1 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -56 | 146.1 | 176.4 | -69.1 | -22.2 | 0 | 0 | 0 | 111.9 | R46 R47 | R46-D92 CarbonylContact C-O 3.52Å; R46-D92 VanDerWaalsContact CA-O 3.29Å; R46-D92 WeakPolarHBondContact CA-O 3.29Å; R47-D92 HydrophobicContact CB-CB 4.48Å; R47-D92 PolarHBondContact N-O 3.37Å; R47-D92 IonicContact NH2-OD2 3.1Å; R47-D92 PolarHBondContact NH2-OD2 3.01Å; R47-D92 VanDerWaalsContact NH2-OD2 3.1Å |
| 93 | L | 96.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -77.2 | 143.2 | 168.2 | -65.2 | 175.5 | 0 | 0 | 0 | 109.8 | L44 P45 R46 R47 L95 F98 | L44-L93 HydrophobicContact CB-CD2 4.1Å; L44-L93 HydrophobicContact CD2-CD2 3.87Å; P45-L93 WeakPolarHBondContact O-CA 3.25Å; R46-L93 HydrophobicContact CG-CD2 4.11Å; R47-L93 PolarHBondContact NH1-O 2.88Å; L93-L95 PolarHBondContact O-N 2.9Å; L93-L95 VanDerWaalsContact O-N 3.15Å; L93-F98 HydrophobicContact CD1-CD2 4.2Å; L93-F98 HydrophobicContact CD1-CE2 4.35Å; L93-F98 HydrophobicContact CD1-CG 4.5Å |
| 94 | D | 96.4 | Very high | 93.3 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | trans | -75.5 | 99.3 | 160.7 | 179.3 | 41.9 | 0 | 0 | 0 | 109.1 | P45 A53 A96 S97 F98 | P45-D94 HydrophobicContact CB-CB 4.26Å; P45-D94 PolarHBondContact O-N 3.34Å; A53-D94 HydrophobicContact CB-CB 3.8Å; D94-A96 VanDerWaalsContact C-N 3.27Å; D94-A96 PolarHBondContact O-N 3.43Å; D94-S97 PolarHBondContact O-N 3.49Å; D94-S97 WeakPolarHBondContact OD2-CB 3.4Å; D94-S97 PolarHBondContact OD2-N 3.48Å; D94-S97 VanDerWaalsContact OD2-N 3.12Å; D94-S97 PolarHBondContact OD2-OG 3.46Å; D94-F98 VanDerWaalsContact O-CB 3.31Å; D94-F98 WeakPolarHBondContact O-CB 3.24Å; D94-F98 PolarHBondContact O-N 3.4Å | ||
| 95 | L | 95.3 | Very high | 92.4 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 55% | 0.55 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | -171 | -175.5 | 60.3 | 0 | 0 | 0 | 111.8 | L93 F98 L99 | L93-L95 PolarHBondContact O-N 2.9Å; L93-L95 VanDerWaalsContact O-N 3.15Å; L95-F98 PolarHBondContact O-N 2.56Å; L95-L99 HydrophobicContact CD1-CD1 3.94Å; L95-L99 HydrophobicContact CD1-CD2 4.33Å; L95-L99 HydrophobicContact CD1-CG 3.85Å; L95-L99 HydrophobicContact CG-CD1 3.84Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CB 3.22Å; L95-L99 VanDerWaalsContact O-CG 3.22Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.25Å |
| 96 | A | 94 | Very high | 91.6 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.9 | -53.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D94 F98 A100 | D94-A96 VanDerWaalsContact C-N 3.27Å; D94-A96 PolarHBondContact O-N 3.43Å; A96-F98 PolarHBondContact O-N 3.27Å; A96-A100 WeakPolarHBondContact O-CB 3.21Å; A96-A100 PolarHBondContact O-N 2.85Å |
| 97 | S | 94.6 | Very high | 90.4 | Very high | 18 Ų | 18 | 59 Ų | 59 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | D94 A100 V101 | D94-S97 PolarHBondContact O-N 3.49Å; D94-S97 WeakPolarHBondContact OD2-CB 3.4Å; D94-S97 PolarHBondContact OD2-N 3.48Å; D94-S97 VanDerWaalsContact OD2-N 3.12Å; D94-S97 PolarHBondContact OD2-OG 3.46Å; S97-A100 PolarHBondContact O-N 3.32Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.44Å; S97-V101 PolarHBondContact O-N 2.89Å |
| 98 | F | 95.1 | Very high | 88.9 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 179.4 | 177.1 | -94.3 | 0 | 0 | 0 | 112.4 | L40 L44 P45 L93 D94 L95 A96 A100 V101 K102 | L40-F98 HydrophobicContact CD2-CD2 3.87Å; L40-F98 HydrophobicContact CD2-CE2 3.59Å; L40-F98 HydrophobicContact CD2-CZ 4.23Å; L44-F98 HydrophobicContact CD2-CD2 4.5Å; L44-F98 HydrophobicContact CD2-CE2 4.24Å; P45-F98 HydrophobicContact CG-CB 4.27Å; L93-F98 HydrophobicContact CD1-CD2 4.2Å; L93-F98 HydrophobicContact CD1-CE2 4.35Å; L93-F98 HydrophobicContact CD1-CG 4.5Å; D94-F98 VanDerWaalsContact O-CB 3.31Å; D94-F98 WeakPolarHBondContact O-CB 3.24Å; D94-F98 PolarHBondContact O-N 3.4Å; L95-F98 PolarHBondContact O-N 2.56Å; A96-F98 PolarHBondContact O-N 3.27Å; F98-A100 VanDerWaalsContact C-N 3.31Å; F98-A100 PolarHBondContact O-N 3.12Å; F98-V101 PolarHBondContact O-N 3.03Å; F98-K102 WeakPolarHBondContact O-CB 3.35Å; F98-K102 PolarHBondContact O-N 3.3Å |
| 99 | L | 94.3 | Very high | 87.3 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 176.8 | -69.7 | 175.2 | 0 | 0 | 0 | 111.4 | L95 K102 A103 | L95-L99 HydrophobicContact CD1-CD1 3.94Å; L95-L99 HydrophobicContact CD1-CD2 4.33Å; L95-L99 HydrophobicContact CD1-CG 3.85Å; L95-L99 HydrophobicContact CG-CD1 3.84Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CB 3.22Å; L95-L99 VanDerWaalsContact O-CG 3.22Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.25Å; L99-K102 PolarHBondContact O-N 3.29Å; L99-A103 WeakPolarHBondContact O-CB 3.32Å; L99-A103 PolarHBondContact O-N 3.32Å |
| 100 | A | 92.8 | Very high | 85.3 | Confident | 28 Ų | 28 | 67.4 Ų | 67.4 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L29 A96 S97 F98 K102 A103 Q104 | L29-A100 HydrophobicContact CD1-CB 3.71Å; L29-A100 HydrophobicContact CD2-CB 3.84Å; L29-A100 HydrophobicContact CG-CB 4.36Å; A96-A100 WeakPolarHBondContact O-CB 3.21Å; A96-A100 PolarHBondContact O-N 2.85Å; S97-A100 PolarHBondContact O-N 3.32Å; F98-A100 VanDerWaalsContact C-N 3.31Å; F98-A100 PolarHBondContact O-N 3.12Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 2.97Å; A100-A103 PolarHBondContact O-N 2.71Å; A100-Q104 WeakPolarHBondContact O-CG 3.36Å; A100-Q104 PolarHBondContact O-N 2.99Å; A100-Q104 VanDerWaalsContact O-N 3.1Å |
| 101 | V | 92.9 | Very high | 83.4 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 174 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | L29 L40 S97 F98 A103 Q104 Q105 | L29-V101 HydrophobicContact CB-CG2 4.46Å; L29-V101 HydrophobicContact CD1-CB 4.41Å; L29-V101 HydrophobicContact CD1-CG2 3.73Å; L40-V101 HydrophobicContact CD2-CB 4.13Å; L40-V101 HydrophobicContact CD2-CG1 3.61Å; L40-V101 HydrophobicContact CG-CG1 3.94Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.44Å; S97-V101 PolarHBondContact O-N 2.89Å; F98-V101 PolarHBondContact O-N 3.03Å; V101-A103 PolarHBondContact O-N 2.75Å; V101-Q104 PolarHBondContact O-N 3.21Å; V101-Q105 PolarHBondContact O-N 2.78Å |
| 102 | K | 91.9 | Very high | 81.3 | Confident | 110 Ų | 110 | 70.7 Ų | 70.7 | 48% | 0.478 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 179.4 | -170.1 | 179 | 179.2 | -177.9 | 0 | 111.8 | L40 F98 L99 A100 Q104 Q105 T106 | L40-K102 HydrophobicContact CD1-CB 4.48Å; L40-K102 HydrophobicContact CD1-CG 4.49Å; F98-K102 WeakPolarHBondContact O-CB 3.35Å; F98-K102 PolarHBondContact O-N 3.3Å; L99-K102 PolarHBondContact O-N 3.29Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 2.97Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.04Å; K102-Q105 PolarHBondContact O-N 2.79Å; K102-T106 PolarHBondContact O-N 3.36Å; K102-T106 VanDerWaalsContact O-N 3.16Å |
| 103 | A | 90.3 | Very high | 79.3 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.2 | -32.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L99 A100 V101 T106 F107 | L99-A103 WeakPolarHBondContact O-CB 3.32Å; L99-A103 PolarHBondContact O-N 3.32Å; A100-A103 PolarHBondContact O-N 2.71Å; V101-A103 PolarHBondContact O-N 2.75Å; A103-T106 WeakPolarHBondContact CA-OG1 3.34Å; A103-T106 PolarHBondContact O-OG1 2.78Å; A103-F107 PolarHBondContact O-N 2.94Å |
| 104 | Q | 84 | Confident | 77.2 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 174.1 | -69.5 | -174 | 29.5 | 0 | 0 | 111.8 | A100 V101 K102 F107 V108 | A100-Q104 WeakPolarHBondContact O-CG 3.36Å; A100-Q104 PolarHBondContact O-N 2.99Å; A100-Q104 VanDerWaalsContact O-N 3.1Å; V101-Q104 PolarHBondContact O-N 3.21Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.04Å; Q104-F107 PolarHBondContact O-N 3.15Å; Q104-V108 WeakPolarHBondContact O-CG2 3.4Å; Q104-V108 PolarHBondContact O-N 3.42Å |
| 105 | Q | 75.9 | Confident | 74.9 | Confident | 101 Ų | 101 | 79.8 Ų | 79.8 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.1 | -33.6 | -177.8 | -151.7 | 166.9 | 73.1 | 0 | 0 | 112.8 | V101 K102 F107 S109 | V101-Q105 PolarHBondContact O-N 2.78Å; K102-Q105 PolarHBondContact O-N 2.79Å; Q105-F107 VanDerWaalsContact C-N 3.3Å; Q105-F107 PolarHBondContact O-N 3.34Å; Q105-S109 PolarHBondContact O-N 3.49Å; Q105-S109 VanDerWaalsContact O-N 3.16Å; Q105-S109 PolarHBondContact O-OG 3.42Å |
| 106 | T | 73.1 | Confident | 72.2 | Confident | 88 Ų | 88 | 79.8 Ų | 79.8 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 170.2 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | K102 A103 S109 C110 | K102-T106 PolarHBondContact O-N 3.36Å; K102-T106 VanDerWaalsContact O-N 3.16Å; A103-T106 WeakPolarHBondContact CA-OG1 3.34Å; A103-T106 PolarHBondContact O-OG1 2.78Å; T106-S109 PolarHBondContact O-N 2.87Å; T106-C110 PolarHBondContact O-N 3.47Å |
| 107 | F | 62.9 | Low | 69.6 | Low | 134 Ų | 134 | 82.2 Ų | 82.2 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.1 | -36.5 | 179.1 | -168.1 | -96 | 0 | 0 | 0 | 113.3 | A103 Q104 Q105 S109 C110 S111 | A103-F107 PolarHBondContact O-N 2.94Å; Q104-F107 PolarHBondContact O-N 3.15Å; Q105-F107 VanDerWaalsContact C-N 3.3Å; Q105-F107 PolarHBondContact O-N 3.34Å; F107-S109 PolarHBondContact O-N 3.22Å; F107-C110 VanDerWaalsContact CA-SG 3.59Å; F107-C110 PolarHBondContact O-N 3.32Å; F107-C110 PolarHBondContact O-SG 2.87Å; F107-S111 WeakPolarHBondContact CE1-OG 3.41Å; F107-S111 WeakPolarHBondContact O-CB 3.33Å; F107-S111 PolarHBondContact O-N 2.91Å; F107-S111 PolarHBondContact O-OG 2.89Å |
| 108 | V | 61.4 | Low | 67 | Low | 91 Ų | 91 | 86 Ų | 86 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -36.1 | 172.3 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | Q104 S111 S112 | Q104-V108 WeakPolarHBondContact O-CG2 3.4Å; Q104-V108 PolarHBondContact O-N 3.42Å; V108-S111 PolarHBondContact O-N 3.18Å; V108-S112 PolarHBondContact O-N 3.45Å; V108-S112 VanDerWaalsContact O-N 3.07Å; V108-S112 PolarHBondContact O-OG 2.98Å |
| 109 | S | 58.8 | Low | 64.4 | Low | 73 Ų | 73 | 92.1 Ų | 92.1 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 178.2 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | Q105 T106 F107 S113 | Q105-S109 PolarHBondContact O-N 3.49Å; Q105-S109 VanDerWaalsContact O-N 3.16Å; Q105-S109 PolarHBondContact O-OG 3.42Å; T106-S109 PolarHBondContact O-N 2.87Å; F107-S109 PolarHBondContact O-N 3.22Å; S109-S113 PolarHBondContact O-OG 2.77Å; S109-S113 VanDerWaalsContact O-OG 3.1Å |
| 110 | C | 52.3 | Low | 61.8 | Low | 64 Ų | 64 | 99.4 Ų | 99.4 | 43% | 0.432 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -79.7 | -31.1 | 174.8 | 69.2 | 0 | 0 | 0 | 0 | 113.3 | T106 F107 S112 S113 S114 | T106-C110 PolarHBondContact O-N 3.47Å; F107-C110 VanDerWaalsContact CA-SG 3.59Å; F107-C110 PolarHBondContact O-N 3.32Å; F107-C110 PolarHBondContact O-SG 2.87Å; C110-S112 PolarHBondContact O-N 2.77Å; C110-S113 CarbonylContact O-C 3.52Å; C110-S113 WeakPolarHBondContact O-CA 3.46Å; C110-S113 PolarHBondContact O-N 3.27Å; C110-S114 PolarHBondContact O-N 2.96Å; C110-S114 VanDerWaalsContact O-N 3.09Å; C110-S114 PolarHBondContact O-OG 3.17Å |
| 111 | S | 54.2 | Low | 58.9 | Low | 53 Ų | 53 | 101.8 Ų | 101.8 | 37% | 0.371 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.9 | -25.1 | 172.7 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | F107 V108 S113 S114 | F107-S111 WeakPolarHBondContact CE1-OG 3.41Å; F107-S111 WeakPolarHBondContact O-CB 3.33Å; F107-S111 PolarHBondContact O-N 2.91Å; F107-S111 PolarHBondContact O-OG 2.89Å; V108-S111 PolarHBondContact O-N 3.18Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S114 PolarHBondContact O-OG 2.9Å |
| 112 | S | 53 | Low | 56 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -18.7 | 172.4 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | V108 C110 | V108-S112 PolarHBondContact O-N 3.45Å; V108-S112 VanDerWaalsContact O-N 3.07Å; V108-S112 PolarHBondContact O-OG 2.98Å; C110-S112 PolarHBondContact O-N 2.77Å |
| 113 | S | 56.1 | Low | 53.4 | Low | 100 Ų | 100 | 104.5 Ų | 104.5 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -8 | -178.7 | -54.2 | 0 | 0 | 0 | 0 | 113.2 | S109 C110 S111 R115 | S109-S113 PolarHBondContact O-OG 2.77Å; S109-S113 VanDerWaalsContact O-OG 3.1Å; C110-S113 CarbonylContact O-C 3.52Å; C110-S113 WeakPolarHBondContact O-CA 3.46Å; C110-S113 PolarHBondContact O-N 3.27Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S113-R115 VanDerWaalsContact C-N 3.34Å |
| 114 | S | 52.6 | Low | 50.5 | Low | 83 Ų | 83 | 107.7 Ų | 107.7 | 58% | 0.58 | 66% | 0.659 | S | S | * | * | trans | -92.2 | 20.5 | 177.1 | 51.3 | 0 | 0 | 0 | 0 | 114.5 | C110 S111 S116 | C110-S114 PolarHBondContact O-N 2.96Å; C110-S114 VanDerWaalsContact O-N 3.09Å; C110-S114 PolarHBondContact O-OG 3.17Å; S111-S114 PolarHBondContact O-OG 2.9Å; S114-S116 VanDerWaalsContact C-N 3.34Å; S114-S116 PolarHBondContact O-N 3.4Å | ||
| 115 | R | 46.5 | Very low | 48.6 | Very low | 206 Ų | 206 | 109.6 Ų | 109.6 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | trans | -85.2 | 83.3 | 154.1 | -83.1 | -177 | -86 | -113.2 | -1.5 | 108.7 | S113 P117 | S113-R115 VanDerWaalsContact C-N 3.34Å; R115-P117 WeakPolarHBondContact O-CD 3.31Å | ||
| 116 | S | 39.6 | Very low | 47 | Very low | 105 Ų | 105 | 113 Ų | 113 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | trans | -59.2 | 125 | 159.7 | -1.6 | 0 | 0 | 0 | 0 | 108.1 | S114 A118 | S114-S116 VanDerWaalsContact C-N 3.34Å; S114-S116 PolarHBondContact O-N 3.4Å; S116-A118 PolarHBondContact O-N 2.84Å; S116-A118 VanDerWaalsContact O-N 3.13Å | ||
| 117 | P | 40 | Very low | 45.2 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | trans | -72 | 107.4 | 168.5 | 28.2 | -27.9 | 0 | 0 | 0 | 107.3 | R115 L119 | R115-P117 WeakPolarHBondContact O-CD 3.31Å; P117-L119 PolarHBondContact O-N 3.1Å | ||
| 118 | A | 38.5 | Very low | 44.2 | Very low | 98 Ų | 98 | 112 Ų | 112 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | -62.6 | 117.9 | 164 | 0 | 0 | 0 | 0 | 0 | 108 | S116 R120 | S116-A118 PolarHBondContact O-N 2.84Å; S116-A118 VanDerWaalsContact O-N 3.13Å; A118-R120 PolarHBondContact O-N 3.49Å | ||
| 119 | L | 41.8 | Very low | 43.5 | Very low | 175 Ų | 175 | 116.6 Ų | 116.6 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -53.2 | 120.3 | 170.6 | -117.3 | 88.6 | 0 | 0 | 0 | 109.7 | P117 | P117-L119 PolarHBondContact O-N 3.1Š| ||
| 120 | R | 38.9 | Very low | 42.5 | Very low | 244 Ų | 244 | 121 Ų | 121 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | trans | -141.3 | 109.8 | 147.1 | -144.6 | 178.6 | -70.5 | -92.4 | 3.4 | 107.3 | A118 | A118-R120 PolarHBondContact O-N 3.49Š| ||
| 121 | G | 31.3 | Very low | 42 | Very low | 78 Ų | 78 | 130.2 Ų | 130.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -74.1 | 158.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 122 | G | 32.3 | Very low | 41.7 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 143.8 | 94.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 123 | A | 37 | Very low | 40.8 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -57.1 | 151.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 124 | S | 31 | Very low | 40.2 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | -166.1 | 145.7 | 86.9 | -63 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 125 | S | 43.6 | Very low | 39.4 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -69.4 | 135.1 | -178.6 | -178.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 126 | H | 41.8 | Very low | 39.3 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | -170.1 | 136.5 | 117.8 | 40.5 | -119.2 | 0 | 0 | 0 | 114.1 | |||||
| 127 | D | 35.9 | Very low | 39.2 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | 69.7 | 98.2 | 141.7 | -125.1 | -106.6 | 0 | 0 | 0 | 121.4 | ||||
| 128 | G | 41.8 | Very low | 39.7 | Very low | 54 Ų | 54 | 142.3 Ų | 142.3 | 56% | 0.557 | 82% | 0.816 | S | S | * | * | 42.6 | 105.2 | 116 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 129 | K | 46.4 | Very low | 40 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | -179.5 | 136.7 | 112.1 | 53.4 | -166.8 | 131.9 | -71.4 | 0 | 112 | |||||
| 130 | L | 38.7 | Very low | 40.1 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -41.8 | 134.8 | 173.7 | -73.7 | 134 | 0 | 0 | 0 | 113.7 | L132 | L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 2.94Å | ||
| 131 | W | 40.3 | Very low | 40.3 | Very low | 257 Ų | 257 | 137.7 Ų | 137.7 | 97% | 0.973 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 91.5 | 165.4 | -60.9 | 81 | 0 | 0 | 0 | 109.3 | ||||
| 132 | L | 48.9 | Very low | 41.2 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -114.6 | 74 | 159.9 | -148.1 | 75.5 | 0 | 0 | 0 | 107.4 | L130 K134 | L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 2.94Å; L132-K134 PolarHBondContact O-N 3.36Å | ||
| 133 | G | 33.2 | Very low | 42.2 | Very low | 78 Ų | 78 | 148.5 Ų | 148.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -75.9 | 94.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | E135 | G133-E135 PolarHBondContact O-N 3.18Š| ||
| 134 | K | 44.6 | Very low | 42.5 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 114.8 | 166.9 | -179.2 | 178.1 | 179.3 | -173.1 | 0 | 107.9 | L132 | L132-K134 PolarHBondContact O-N 3.36Š| ||
| 135 | E | 34.8 | Very low | 42.8 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -122.8 | 109.2 | 161 | 66.8 | -174.1 | 139.8 | 0 | 0 | 109.3 | G133 | G133-E135 PolarHBondContact O-N 3.18Š| ||
| 136 | V | 43.9 | Very low | 43.3 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -173.4 | 119 | 141.8 | 159 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 137 | P | 38 | Very low | 43.2 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | -130 | 122.2 | 105.6 | 10.4 | 11.3 | 0 | 0 | 0 | 110.9 | |||||
| 138 | D | 52 | Low | 43.7 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | 54 | 96.5 | 99.3 | -163.2 | -116.1 | 0 | 0 | 0 | 114.4 | |||||
| 139 | D | 44 | Very low | 44 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | -169 | 149.8 | 124.3 | -167.6 | -92.8 | 0 | 0 | 0 | 110 | |||||
| 140 | S | 43.3 | Very low | 44.1 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 54% | 0.538 | 78% | 0.782 | S | S | . | * | trans | 90.3 | 48.9 | 170.8 | -75.2 | 0 | 0 | 0 | 0 | 118.1 | R142 | S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 PolarHBondContact O-N 3.1Å; S140-R142 VanDerWaalsContact O-N 3.17Å | ||
| 141 | W | 43.3 | Very low | 44.3 | Very low | 209 Ų | 209 | 147.8 Ų | 147.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -69.7 | 92.5 | 141.1 | -74.6 | 64.6 | 0 | 0 | 0 | 109.4 | H143 | W141-H143 AromaticContact CE3-CE1 3.79Å; W141-H143 AromaticContact CE3-NE2 3.77Å; W141-H143 PolarHBondContact O-N 3.45Å; W141-H143 VanDerWaalsContact O-N 3.14Å | ||
| 142 | R | 51.4 | Low | 44.4 | Very low | 223 Ų | 223 | 143.4 Ų | 143.4 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -78.1 | 92 | 163.8 | -73.4 | -79.1 | 152.5 | 175.4 | -7.7 | 108.2 | S140 G144 | S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 PolarHBondContact O-N 3.1Å; S140-R142 VanDerWaalsContact O-N 3.17Å; R142-G144 PolarHBondContact O-N 2.93Å | ||
| 143 | H | 52.6 | Low | 44.4 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -66.5 | 115.7 | 161.3 | -69.7 | -79.7 | 0 | 0 | 0 | 108.7 | W141 | W141-H143 AromaticContact CE3-CE1 3.79Å; W141-H143 AromaticContact CE3-NE2 3.77Å; W141-H143 PolarHBondContact O-N 3.45Å; W141-H143 VanDerWaalsContact O-N 3.14Å | ||
| 144 | G | 43 | Very low | 45.1 | Very low | 82 Ų | 82 | 153.3 Ų | 153.3 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -161.4 | 97.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R142 | R142-G144 PolarHBondContact O-N 2.93Š| ||
| 145 | G | 37.4 | Very low | 44.8 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | 126.2 | 90.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A147 | G145-A147 PolarHBondContact O-N 3.47Š| ||
| 146 | L | 53.1 | Low | 45.3 | Very low | 173 Ų | 173 | 145 Ų | 145 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | trans | -54.6 | 98.7 | 155.6 | -75.4 | 162 | 0 | 0 | 0 | 108.7 | E148 | L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.04Å | ||
| 147 | A | 41.3 | Very low | 45.4 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -87.3 | 86.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | G145 | G145-A147 PolarHBondContact O-N 3.47Š| ||
| 148 | E | 45.7 | Very low | 46.1 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | trans | -34.8 | 127.5 | 167.2 | -157.7 | 89.4 | 88.9 | 0 | 0 | 110.9 | L146 R150 | L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.04Å; E148-R150 VanDerWaalsContact C-N 3.31Å; E148-R150 PolarHBondContact O-N 2.94Å | ||
| 149 | P | 47.1 | Very low | 46 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 59% | 0.591 | 77% | 0.766 | S | S | * | * | trans | -67.4 | 101 | 161.5 | 4.8 | 8.5 | 0 | 0 | 0 | 105.9 | F151 | P149-F151 HydrophobicContact CB-CD2 3.78Å; P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CG-CD2 4.45Å; P149-F151 HydrophobicContact CG-CE2 4.15Å; P149-F151 PolarHBondContact O-N 3.08Å | ||
| 150 | R | 50.5 | Low | 46 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -68.6 | 75.3 | 168.1 | -74.9 | -169.4 | 168.4 | 92.6 | 0.4 | 108.7 | E148 H152 | E148-R150 VanDerWaalsContact C-N 3.31Å; E148-R150 PolarHBondContact O-N 2.94Å; R150-H152 PolarHBondContact O-N 3.33Å | ||
| 151 | F | 42.2 | Very low | 46.4 | Very low | 185 Ų | 185 | 146 Ų | 146 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -62.5 | 78.4 | 151.6 | -68.7 | -78.1 | 0 | 0 | 0 | 107.2 | P149 R153 | P149-F151 HydrophobicContact CB-CD2 3.78Å; P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CG-CD2 4.45Å; P149-F151 HydrophobicContact CG-CE2 4.15Å; P149-F151 PolarHBondContact O-N 3.08Å; F151-R153 PolarHBondContact O-N 3.36Å | ||
| 152 | H | 42.8 | Very low | 47.1 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -78.5 | 88.3 | 160.2 | -102 | -79.5 | 0 | 0 | 0 | 107.5 | R150 | R150-H152 PolarHBondContact O-N 3.33Š| ||
| 153 | R | 48.9 | Very low | 47.2 | Very low | 226 Ų | 226 | 135 Ų | 135 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -76.8 | 134.7 | 157.4 | -120.2 | -169.2 | 168.5 | 160.8 | -1.1 | 108.2 | F151 | F151-R153 PolarHBondContact O-N 3.36Š| ||
| 154 | Y | 46.8 | Very low | 47.2 | Very low | 227 Ų | 227 | 140.1 Ų | 140.1 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | 78.6 | 126.2 | 158.7 | -126 | -95 | 0 | 0 | 0 | 118.4 | ||||
| 155 | G | 38.4 | Very low | 47.7 | Very low | 52 Ų | 52 | 147.3 Ų | 147.3 | 54% | 0.536 | 78% | 0.784 | S | S | . | * | trans | 151 | 86.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 156 | D | 44.7 | Very low | 48.6 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 73.4 | 91.7 | 145.8 | -43.1 | -51.1 | 0 | 0 | 0 | 117.4 | ||||
| 157 | C | 47.7 | Very low | 48.8 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 40.8 | 90.3 | 79.7 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 158 | C | 53.1 | Low | 49.1 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 54.3 | 115.5 | 146.1 | -55.6 | 0 | 0 | 0 | 0 | 119.3 | G160 | C158-G160 PolarHBondContact O-N 2.7Š| ||
| 159 | P | 48.3 | Very low | 49 | Very low | 132 Ų | 132 | 154.5 Ų | 154.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -81.6 | 109.9 | 142.7 | 29.1 | -20.1 | 0 | 0 | 0 | 109.1 | ||||
| 160 | G | 44.8 | Very low | 48.7 | Very low | 64 Ų | 64 | 159.7 Ų | 159.7 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 47.7 | 110.5 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | C158 | C158-G160 PolarHBondContact O-N 2.7Š|
| 161 | L | 51.8 | Low | 48.6 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | S | Bend | trans | 69.2 | 110.7 | 149.3 | -105 | 65 | 0 | 0 | 0 | 118.5 | ||
| 162 | S | 57.6 | Low | 48.9 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | 85.7 | 73.4 | 155.6 | -43.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 163 | C | 54.1 | Low | 49.2 | Very low | 85 Ų | 85 | 155.4 Ų | 155.4 | 57% | 0.574 | 83% | 0.825 | S | S | * | * | trans | -129.8 | 26.1 | 165.5 | -144.8 | 0 | 0 | 0 | 0 | 113.7 | R165 C166 | C163-R165 PolarHBondContact O-N 3.23Å; C163-C166 WeakPolarHBondContact CA-SG 3.02Å; C163-C166 HydrophobicContact CB-CB 4.32Å; C163-C166 WeakPolarHBondContact CB-SG 3.24Å; C163-C166 PolarHBondContact O-N 3.27Å; C163-C166 PolarHBondContact O-SG 2.9Å; C163-C166 VanDerWaalsContact O-SG 3.42Å; C163-C166 WeakPolarHBondContact SG-CB 3.47Å; C163-C166 CovalentContact SG-SG 2.04Å; C163-C166 PolarHBondContact SG-SG 3.42Å | ||
| 164 | W | 52.4 | Low | 49.3 | Very low | 270 Ų | 270 | 151.2 Ų | 151.2 | 100% | 1.023 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 12.6 | 170.8 | -82.1 | 9.6 | 0 | 0 | 0 | 114.7 | ||
| 165 | R | 53.1 | Low | 49.4 | Very low | 232 Ų | 232 | 146.5 Ų | 146.5 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.8 | 11.6 | 175.4 | -92.8 | 151.3 | 65.4 | -174.6 | 1.6 | 114.5 | C163 | C163-R165 PolarHBondContact O-N 3.23Š|
| 166 | C | 56.3 | Low | 50.1 | Low | 76 Ų | 76 | 152.8 Ų | 152.8 | 51% | 0.514 | 84% | 0.839 | S | S | . | * | S | Bend | trans | -96.1 | -4 | -174.9 | -45.5 | 0 | 0 | 0 | 0 | 114 | C163 | C163-C166 WeakPolarHBondContact CA-SG 3.02Å; C163-C166 HydrophobicContact CB-CB 4.32Å; C163-C166 WeakPolarHBondContact CB-SG 3.24Å; C163-C166 PolarHBondContact O-N 3.27Å; C163-C166 PolarHBondContact O-SG 2.9Å; C163-C166 VanDerWaalsContact O-SG 3.42Å; C163-C166 WeakPolarHBondContact SG-CB 3.47Å; C163-C166 CovalentContact SG-SG 2.04Å; C163-C166 PolarHBondContact SG-SG 3.42Å |
| 167 | C | 57.6 | Low | 50.5 | Low | 121 Ų | 121 | 153.1 Ų | 153.1 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -101.7 | 17.3 | -176.8 | -63.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 168 | W | 47.7 | Very low | 50.8 | Low | 233 Ų | 233 | 155.5 Ų | 155.5 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -100.3 | -2.9 | -179.2 | -90 | 50.2 | 0 | 0 | 0 | 115.2 | ||
| 169 | F | 43.1 | Very low | 50.6 | Low | 200 Ų | 200 | 158.5 Ų | 158.5 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | trans | -150.4 | 85.9 | 174.3 | -105.9 | -88.5 | 0 | 0 | 0 | 110.9 | ||||
| 170 | C | 40 | Very low | 50.8 | Low | 201 Ų | 201 | 160.9 Ų | 160.9 | 100% | 1.358 | 85% | 0.845 | S | S | * | * | trans | -156.5 | 0 | 155 | -93.5 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 170 of 170 residues in 1039.8 ms
(Link to these results)