| 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 | 38.2 | Very low | 44 | Very low | 230 Ų | 230 | 166 Ų | 166 | 100% | 1.133 | 82% | 0.824 | S | S | * | * | 0 | 128.2 | 0 | -82 | -66.7 | 176 | 0 | 0 | 108.2 | |||||
| 2 | T | 36.2 | Very low | 44.6 | Very low | 128 Ų | 128 | 163.3 Ų | 163.3 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | 67.9 | 91.3 | 158.3 | 61.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 3 | F | 43.9 | Very low | 45.4 | Very low | 199 Ų | 199 | 159.7 Ų | 159.7 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | 15 | 127.2 | 118.9 | -96.1 | -101.2 | 0 | 0 | 0 | 117.9 | |||||
| 4 | L | 39.8 | Very low | 45.9 | Very low | 137 Ų | 137 | 158.2 Ų | 158.2 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | -175.9 | 136.8 | 110 | -129.6 | 77.4 | 0 | 0 | 0 | 114.4 | |||||
| 5 | R | 40.8 | Very low | 46.8 | Very low | 210 Ų | 210 | 154.9 Ų | 154.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | 71.8 | 95.4 | 144.7 | -83.9 | 175.1 | -166.8 | -156.5 | -1.2 | 121.3 | ||||
| 6 | L | 50.6 | Low | 47.5 | Very low | 156 Ų | 156 | 155.7 Ų | 155.7 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -39.6 | 129.8 | 134.5 | -125.7 | 85.9 | 0 | 0 | 0 | 112.1 | ||||
| 7 | L | 42 | Very low | 48 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -142.4 | 115.5 | 151.5 | -136.1 | 131.3 | 0 | 0 | 0 | 108.5 | ||||
| 8 | Q | 53.7 | Low | 48.8 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -61.2 | 133.9 | -176.1 | -65.2 | 170.8 | -44.7 | 0 | 0 | 110.8 | ||||
| 9 | Q | 46.4 | Very low | 49.4 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -117.3 | 101.9 | 162.1 | -68.7 | -175.9 | -3.5 | 0 | 0 | 107.6 | ||||
| 10 | L | 47.7 | Very low | 50 | Low | 147 Ų | 147 | 146.6 Ų | 146.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -74.9 | 147.4 | 170 | -72.2 | 170.1 | 0 | 0 | 0 | 109.5 | V12 | L10-V12 PolarHBondContact O-N 3.36Š| ||
| 11 | P | 44.7 | Very low | 50.6 | Low | 108 Ų | 108 | 146.3 Ų | 146.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -76.5 | 120.1 | -175.6 | 31.4 | -31.3 | 0 | 0 | 0 | 109.8 | V13 | P11-V13 PolarHBondContact O-N 3.15Å; P11-V13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | V | 51.9 | Low | 51.9 | Low | 134 Ų | 134 | 142.8 Ų | 142.8 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -79.6 | 94.4 | 168.3 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | L10 L14 | L10-V12 PolarHBondContact O-N 3.36Å; V12-L14 PolarHBondContact O-N 3.25Å | ||
| 13 | V | 54.7 | Low | 53.1 | Low | 116 Ų | 116 | 145.2 Ų | 145.2 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -76.9 | 103.8 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | P11 V15 | P11-V13 PolarHBondContact O-N 3.15Å; P11-V13 VanDerWaalsContact O-N 3.15Å; V13-V15 HydrophobicContact CG1-CG2 4.33Å; V13-V15 PolarHBondContact O-N 3.09Å; V13-V15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | L | 52.4 | Low | 54 | Low | 139 Ų | 139 | 145.4 Ų | 145.4 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | -77.4 | 92.8 | 177 | -154.4 | 126.6 | 0 | 0 | 0 | 108.7 | V12 Q16 | V12-L14 PolarHBondContact O-N 3.25Å; L14-Q16 HydrophobicContact CD2-CG 4.07Å; L14-Q16 PolarHBondContact O-N 3.08Å; L14-Q16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | V | 58.7 | Low | 55.2 | Low | 109 Ų | 109 | 146.9 Ų | 146.9 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | trans | -70 | 102.8 | 172.2 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | V13 T17 | V13-V15 HydrophobicContact CG1-CG2 4.33Å; V13-V15 PolarHBondContact O-N 3.09Å; V13-V15 VanDerWaalsContact O-N 3.09Å; V15-T17 VanDerWaalsContact C-N 3.32Å; V15-T17 HydrophobicContact CG1-CG2 3.96Å; V15-T17 PolarHBondContact O-N 2.97Å | ||
| 16 | Q | 57.8 | Low | 56.3 | Low | 167 Ų | 167 | 144.9 Ų | 144.9 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -70.6 | 91 | 167.8 | -80.4 | 179.6 | -58.2 | 0 | 0 | 108.8 | L14 S18 | L14-Q16 HydrophobicContact CD2-CG 4.07Å; L14-Q16 PolarHBondContact O-N 3.08Å; L14-Q16 VanDerWaalsContact O-N 3.08Å; Q16-S18 PolarHBondContact O-N 2.85Å; Q16-S18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | T | 57.3 | Low | 57 | Low | 115 Ų | 115 | 142.3 Ų | 142.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -73.9 | 94.8 | 164.2 | 55 | 0 | 0 | 0 | 0 | 108 | V15 S19 | V15-T17 VanDerWaalsContact C-N 3.32Å; V15-T17 HydrophobicContact CG1-CG2 3.96Å; V15-T17 PolarHBondContact O-N 2.97Å; T17-S19 VanDerWaalsContact C-N 3.26Å; T17-S19 PolarHBondContact O-N 3.08Å | ||
| 18 | S | 61.8 | Low | 58.2 | Low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -64.1 | 89.7 | 167.3 | -61.4 | 0 | 0 | 0 | 0 | 108.7 | Q16 T20 | Q16-S18 PolarHBondContact O-N 2.85Å; Q16-S18 VanDerWaalsContact O-N 3.08Å; S18-T20 PolarHBondContact O-N 3.01Å | ||
| 19 | S | 60.4 | Low | 58.7 | Low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -69.7 | 98.1 | 171.7 | 58.6 | 0 | 0 | 0 | 0 | 108.1 | T17 I21 | T17-S19 VanDerWaalsContact C-N 3.26Å; T17-S19 PolarHBondContact O-N 3.08Å; S19-I21 VanDerWaalsContact C-N 3.33Å; S19-I21 PolarHBondContact O-N 2.88Å | ||
| 20 | T | 61.2 | Low | 59.6 | Low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -68.1 | 95.7 | 167.5 | 43.9 | 0 | 0 | 0 | 0 | 107.8 | S18 L22 | S18-T20 PolarHBondContact O-N 3.01Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.95Å | ||
| 21 | I | 63.5 | Low | 60.7 | Low | 142 Ų | 142 | 132.8 Ų | 132.8 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | -64.4 | 98.6 | 171.3 | -61.6 | 173.1 | 0 | 0 | 0 | 106.3 | S19 Q23 | S19-I21 VanDerWaalsContact C-N 3.33Å; S19-I21 PolarHBondContact O-N 2.88Å; I21-Q23 VanDerWaalsContact C-N 3.26Å; I21-Q23 HydrophobicContact CG2-CG 4.42Å; I21-Q23 PolarHBondContact O-N 2.89Å | ||
| 22 | L | 63.8 | Low | 62.5 | Low | 156 Ų | 156 | 131.4 Ų | 131.4 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | -62.8 | 91.9 | 167.2 | -75.8 | 166.1 | 0 | 0 | 0 | 107.5 | T20 R24 | T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.95Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.84Å | ||
| 23 | Q | 62.2 | Low | 64.1 | Low | 179 Ų | 179 | 127.8 Ų | 127.8 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | -63.1 | 97.4 | 169.1 | -82.9 | -173.6 | -43.8 | 0 | 0 | 108.1 | I21 N25 | I21-Q23 VanDerWaalsContact C-N 3.26Å; I21-Q23 HydrophobicContact CG2-CG 4.42Å; I21-Q23 PolarHBondContact O-N 2.89Å; Q23-N25 PolarHBondContact O-N 3.29Å | ||
| 24 | R | 63.3 | Low | 65.8 | Low | 203 Ų | 203 | 122.9 Ų | 122.9 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | trans | -70.6 | 115.1 | 166.2 | -65.2 | -177.8 | 121.2 | 127.8 | 1.3 | 106.8 | L22 F26 | L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.84Å; R24-F26 HydrophobicContact CB-CE2 4.13Å; R24-F26 HydrophobicContact CB-CZ 4.14Å; R24-F26 WeakPolarHBondContact O-CD2 3.17Å; R24-F26 PolarHBondContact O-N 2.94Å | ||
| 25 | N | 64.4 | Low | 67.9 | Low | 167 Ų | 167 | 116.3 Ų | 116.3 | 89% | 0.893 | 66% | 0.66 | S | S | * | * | trans | -61.4 | 103 | 169.9 | -103.3 | -0.8 | 0 | 0 | 0 | 108.9 | Q23 | Q23-N25 PolarHBondContact O-N 3.29Š| ||
| 26 | F | 65.1 | Low | 69.7 | Low | 168 Ų | 168 | 114.6 Ų | 114.6 | 74% | 0.737 | 65% | 0.645 | S | S | * | * | trans | -80.7 | 123.8 | 171.6 | -67 | -77.2 | 0 | 0 | 0 | 108.7 | R24 V28 | R24-F26 HydrophobicContact CB-CE2 4.13Å; R24-F26 HydrophobicContact CB-CZ 4.14Å; R24-F26 WeakPolarHBondContact O-CD2 3.17Å; R24-F26 PolarHBondContact O-N 2.94Å; F26-V28 PolarHBondContact O-N 3.08Å; F26-V28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | S | 63.8 | Low | 71.5 | Confident | 103 Ų | 103 | 113 Ų | 113 | 72% | 0.72 | 64% | 0.635 | S | S | * | * | trans | -68.6 | 105.7 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | S29 | S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 PolarHBondContact OG-OG 3.46Å; S27-S29 VanDerWaalsContact OG-OG 3.08Å | ||
| 28 | V | 68.6 | Low | 73.3 | Confident | 140 Ų | 140 | 113.5 Ų | 113.5 | 85% | 0.848 | 63% | 0.631 | S | S | * | * | trans | -85.7 | 2.7 | 177.8 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | F26 V30 | F26-V28 PolarHBondContact O-N 3.08Å; F26-V28 VanDerWaalsContact O-N 3.08Å; V28-V30 PolarHBondContact O-N 3.08Å | ||
| 29 | S | 62.8 | Low | 74.9 | Confident | 90 Ų | 90 | 109.2 Ų | 109.2 | 63% | 0.629 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -66 | 134.1 | 177.8 | 57.2 | 0 | 0 | 0 | 0 | 111 | S27 A31 | S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 PolarHBondContact OG-OG 3.46Å; S27-S29 VanDerWaalsContact OG-OG 3.08Å; S29-A31 PolarHBondContact O-N 3.23Å |
| 30 | V | 66.3 | Low | 76.6 | Confident | 131 Ų | 131 | 112.4 Ų | 112.4 | 79% | 0.794 | 60% | 0.598 | S | S | * | * | trans | -57.2 | 135.3 | 175.6 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | V28 T32 | V28-V30 PolarHBondContact O-N 3.08Å; V30-T32 PolarHBondContact O-N 3.16Å | ||
| 31 | A | 71.1 | Confident | 78.2 | Confident | 97 Ų | 97 | 107.2 Ų | 107.2 | 80% | 0.802 | 57% | 0.566 | S | S | * | * | trans | -60.2 | 115.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S29 P33 | S29-A31 PolarHBondContact O-N 3.23Å; A31-P33 WeakPolarHBondContact O-CD 3.42Å | ||
| 32 | T | 81.3 | Confident | 79.8 | Confident | 79 Ų | 79 | 107.3 Ų | 107.3 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | trans | -63.5 | 122.7 | -178.4 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | V30 A34 Q36 | V30-T32 PolarHBondContact O-N 3.16Å; T32-A34 PolarHBondContact O-N 3.44Å; T32-Q36 PolarHBondContact OG1-NE2 3.07Å | ||
| 33 | P | 85.3 | Confident | 81.4 | Confident | 57 Ų | 57 | 100.6 Ų | 100.6 | 37% | 0.37 | 52% | 0.523 | S | S | . | . | trans | -76.5 | -13.3 | -178.3 | 31.7 | -36.3 | 0 | 0 | 0 | 113.1 | A31 K93 M94 | A31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-K93 HydrophobicContact CB-CB 4.44Å; P33-M94 HydrophobicContact CB-CB 4.34Å; P33-M94 HydrophobicContact CG-CB 4.47Å; P33-M94 PolarHBondContact O-N 3.14Å | ||
| 34 | A | 91.2 | Very high | 83 | Confident | 14 Ų | 14 | 92.3 Ų | 92.3 | 12% | 0.116 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -75.7 | 150.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T32 T39 I69 M94 | T32-A34 PolarHBondContact O-N 3.44Å; A34-T39 PolarHBondContact O-OG1 3.38Å; A34-I69 HydrophobicContact CB-CG2 4.12Å; A34-M94 HydrophobicContact CB-SD 3.96Å |
| 35 | I | 95.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 45% | 0.448 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 115.6 | 173.1 | -62.4 | 175 | 0 | 0 | 0 | 108.4 | V60 G70 I89 H92 N106 | I35-V60 HydrophobicContact CG2-CG2 4Å; I35-G70 PolarHBondContact O-N 3.29Å; I35-I89 HydrophobicContact CB-CD1 4.07Å; I35-I89 HydrophobicContact CD1-CB 4.45Å; I35-I89 HydrophobicContact CD1-CD1 3.89Å; I35-I89 HydrophobicContact CD1-CG1 4.01Å; I35-I89 HydrophobicContact CD1-CG2 3.58Å; I35-I89 HydrophobicContact CG2-CD1 3.8Å; I35-I89 HydrophobicContact CG2-CG1 4.49Å; I35-H92 HydrophobicContact CD1-CB 3.83Å; I35-H92 HydrophobicContact CG1-CB 4.21Å; I35-N106 HydrophobicContact CD1-CB 3.99Å; I35-N106 HydrophobicContact CG1-CB 4.13Å |
| 36 | Q | 96 | Very high | 86 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 34% | 0.341 | 42% | 0.421 | S | S | . | . | trans | -143.7 | -173.8 | 178.5 | 61 | 179.2 | 4.2 | 0 | 0 | 109.4 | T32 M38 T39 V60 | T32-Q36 PolarHBondContact OG1-NE2 3.07Å; Q36-M38 PolarHBondContact O-N 3.48Å; Q36-T39 PolarHBondContact N-OG1 3.34Å; Q36-T39 VanDerWaalsContact N-OG1 3.11Å; Q36-T39 VanDerWaalsContact O-CB 3.26Å; Q36-T39 WeakPolarHBondContact O-CB 3.23Å; Q36-T39 PolarHBondContact O-N 3.07Å; Q36-T39 PolarHBondContact O-OG1 3.35Å; Q36-T39 VanDerWaalsContact O-OG1 3.05Å; Q36-V60 WeakPolarHBondContact O-CB 3.46Å | ||
| 37 | K | 96.2 | Very high | 87.5 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 142.4 | 175.4 | -61.5 | -177.2 | 179.7 | 171.4 | 0 | 110.6 | T39 I61 | K37-T39 PolarHBondContact O-N 3.19Å; K37-T39 VanDerWaalsContact O-N 3.15Å; K37-I61 WeakPolarHBondContact CG-O 3.37Å |
| 38 | M | 94.8 | Very high | 88.9 | Confident | 126 Ų | 126 | 69.3 Ų | 69.3 | 62% | 0.621 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -0.1 | -178.1 | -60.8 | -67.1 | -84.3 | 0 | 0 | 116.2 | Q36 R40 V60 | Q36-M38 PolarHBondContact O-N 3.48Å; M38-R40 PolarHBondContact O-N 3.15Å; M38-V60 PolarHBondContact N-O 2.94Å |
| 39 | T | 95.8 | Very high | 90.1 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 10% | 0.104 | 35% | 0.351 | C | S | . | . | trans | -64.5 | 133.3 | 173.9 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | A34 Q36 K37 V41 R59 V60 | A34-T39 PolarHBondContact O-OG1 3.38Å; Q36-T39 PolarHBondContact N-OG1 3.34Å; Q36-T39 VanDerWaalsContact N-OG1 3.11Å; Q36-T39 VanDerWaalsContact O-CB 3.26Å; Q36-T39 WeakPolarHBondContact O-CB 3.23Å; Q36-T39 PolarHBondContact O-N 3.07Å; Q36-T39 PolarHBondContact O-OG1 3.35Å; Q36-T39 VanDerWaalsContact O-OG1 3.05Å; K37-T39 PolarHBondContact O-N 3.19Å; K37-T39 VanDerWaalsContact O-N 3.15Å; T39-V41 HydrophobicContact CG2-CG1 4.44Å; T39-R59 WeakPolarHBondContact O-CA 3.43Å; T39-V60 PolarHBondContact O-N 3.1Å; T39-V60 VanDerWaalsContact O-N 3.07Å | ||
| 40 | R | 95.6 | Very high | 91.5 | Very high | 162 Ų | 162 | 61 Ų | 61 | 61% | 0.611 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -78.3 | 135.2 | 171 | -60.6 | 179.1 | -170.6 | -178.7 | 3.1 | 109.1 | M38 P57 R59 | M38-R40 PolarHBondContact O-N 3.15Å; R40-P57 HydrophobicContact CG-CG 4.31Å; R40-R59 HydrophobicContact CG-CG 4.32Å |
| 41 | V | 96.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.085 | 31% | 0.314 | C | S | . | . | trans | -128.9 | 161.3 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | T39 P58 V60 L78 N106 V108 | T39-V41 HydrophobicContact CG2-CG1 4.44Å; V41-P58 PolarHBondContact N-O 3.47Å; V41-P58 WeakPolarHBondContact O-CG 3.48Å; V41-V60 HydrophobicContact CG1-CG2 3.88Å; V41-L78 HydrophobicContact CG2-CD1 3.31Å; V41-L78 HydrophobicContact CG2-CD2 4.28Å; V41-L78 HydrophobicContact CG2-CG 4.43Å; V41-N106 HydrophobicContact CG1-CB 4.16Å; V41-V108 HydrophobicContact CB-CG1 4Å; V41-V108 HydrophobicContact CB-CG2 4.02Å; V41-V108 HydrophobicContact CG1-CG1 4.11Å; V41-V108 HydrophobicContact CG2-CG1 4.24Å; V41-V108 HydrophobicContact CG2-CG2 3.64Å | ||
| 42 | R | 96.4 | Very high | 93.9 | Very high | 144 Ų | 144 | 56.7 Ų | 56.7 | 54% | 0.543 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.3 | 173.7 | -178.1 | -177.9 | 177.5 | -175.1 | 0.7 | 108.5 | V44 N106 N107 V108 | R42-V44 HydrophobicContact CG-CG1 4.05Å; R42-N106 PolarHBondContact N-O 3.19Å; R42-N107 WeakPolarHBondContact O-CA 3.34Å; R42-V108 PolarHBondContact O-N 2.79Å |
| 43 | V | 97.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.2 | 169.6 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | D45 P58 L78 I80 V108 L110 | V43-D45 WeakPolarHBondContact CG1-OD1 3.44Å; V43-P58 HydrophobicContact CG2-CG 4.27Å; V43-L78 HydrophobicContact CG2-CD2 3.97Å; V43-I80 HydrophobicContact CG2-CD1 3.83Å; V43-V108 WeakPolarHBondContact CA-O 3.49Å; V43-V108 HydrophobicContact CG2-CG2 4.04Å; V43-L110 HydrophobicContact CG1-CD1 4.16Å; V43-L110 HydrophobicContact CG1-CD2 4.41Å; V43-L110 HydrophobicContact CG1-CG 3.86Å; V43-L110 HydrophobicContact CG2-CD2 4.21Å |
| 44 | V | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | trans | -112.6 | 5.3 | -172.2 | -63.5 | 0 | 0 | 0 | 0 | 114.2 | R42 V90 N107 V108 V109 I122 K123 V124 | R42-V44 HydrophobicContact CG-CG1 4.05Å; V44-V90 HydrophobicContact CG2-CG2 3.91Å; V44-N107 HydrophobicContact CG1-CB 3.82Å; V44-N107 HydrophobicContact CG2-CB 4.32Å; V44-V108 WeakPolarHBondContact CG2-O 3.26Å; V44-V108 PolarHBondContact N-O 2.92Å; V44-V109 HydrophobicContact CG2-CG2 3.78Å; V44-I122 HydrophobicContact CG2-CG2 4.26Å; V44-K123 PolarHBondContact O-N 3.45Å; V44-K123 VanDerWaalsContact O-N 3.11Å; V44-V124 HydrophobicContact CB-CB 4.41Å; V44-V124 HydrophobicContact CB-CG1 3.98Å; V44-V124 HydrophobicContact CB-CG2 3.56Å; V44-V124 HydrophobicContact CG1-CB 4.47Å; V44-V124 HydrophobicContact CG1-CG1 3.81Å; V44-V124 HydrophobicContact CG1-CG2 3.81Å; V44-V124 HydrophobicContact CG2-CG2 3.57Å | ||
| 45 | D | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -84.6 | 168.5 | 172.9 | 63.9 | 32.3 | 0 | 0 | 0 | 112.4 | V43 S47 V109 L110 | V43-D45 WeakPolarHBondContact CG1-OD1 3.44Å; D45-S47 VanDerWaalsContact C-N 3.28Å; D45-S47 VanDerWaalsContact OD1-CB 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.49Å; D45-S47 VanDerWaalsContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.12Å; D45-V109 HydrophobicContact CB-CG1 4.37Å; D45-L110 VanDerWaalsContact OD2-CB 3.23Å; D45-L110 WeakPolarHBondContact OD2-CB 3.4Å; D45-L110 WeakPolarHBondContact OD2-CG 3.45Å; D45-L110 PolarHBondContact OD2-N 3.23Å |
| 46 | N | 95.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 74.7 Ų | 74.7 | 32% | 0.321 | 37% | 0.367 | S | S | . | . | trans | -88.6 | 15.4 | 174.6 | 74.2 | -30.1 | 0 | 0 | 0 | 113.4 | N51 G119 T120 R121 | N46-N51 VanDerWaalsContact CA-ND2 3.31Å; N46-N51 WeakPolarHBondContact CA-ND2 3.47Å; N46-N51 PolarHBondContact O-ND2 2.9Å; N46-G119 WeakPolarHBondContact OD1-CA 3.37Å; N46-T120 PolarHBondContact OD1-N 2.64Å; N46-R121 HydrophobicContact CB-CB 4.41Å; N46-R121 PolarHBondContact N-O 2.95Å; N46-R121 PolarHBondContact OD1-N 3.37Å; N46-R121 PolarHBondContact OD1-O 3.34Å | ||
| 47 | S | 94.9 | Very high | 95 | Very high | 7 Ų | 7 | 74 Ų | 74 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | trans | -62.8 | 151 | -178.8 | 70.5 | 0 | 0 | 0 | 0 | 111.8 | D45 L49 G50 N51 | D45-S47 VanDerWaalsContact C-N 3.28Å; D45-S47 VanDerWaalsContact OD1-CB 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.49Å; D45-S47 VanDerWaalsContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.12Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 2.8Å; S47-G50 PolarHBondContact O-N 3.43Å; S47-G50 PolarHBondContact OG-N 3Å; S47-N51 PolarHBondContact O-N 2.84Å; S47-N51 VanDerWaalsContact O-N 3.11Å; S47-N51 PolarHBondContact O-ND2 3.48Å; S47-N51 VanDerWaalsContact O-ND2 3.08Å | ||
| 48 | S | 94.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | 175 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | T52 | S48-T52 WeakPolarHBondContact O-CB 3.49Å; S48-T52 PolarHBondContact O-N 3.05Å; S48-T52 VanDerWaalsContact O-N 3.12Å; S48-T52 PolarHBondContact O-OG1 3.11Å |
| 49 | L | 94.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.5 | -66.1 | 178.6 | 0 | 0 | 0 | 112.5 | S47 I80 K81 L110 | S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 2.8Å; L49-I80 WeakPolarHBondContact O-CD1 3.19Å; L49-K81 HydrophobicContact CD2-CD 4.49Å; L49-L110 HydrophobicContact CB-CD1 4.07Å |
| 50 | G | 91.7 | Very high | 95.3 | Very high | 23 Ų | 23 | 66 Ų | 66 | 24% | 0.237 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72 | -39.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S47 | S47-G50 PolarHBondContact O-N 3.43Å; S47-G50 PolarHBondContact OG-N 3Å |
| 51 | N | 93.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -86.3 | -24.4 | -173.5 | -69.6 | -50 | 0 | 0 | 0 | 114.3 | N46 S47 P53 K123 | N46-N51 VanDerWaalsContact CA-ND2 3.31Å; N46-N51 WeakPolarHBondContact CA-ND2 3.47Å; N46-N51 PolarHBondContact O-ND2 2.9Å; S47-N51 PolarHBondContact O-N 2.84Å; S47-N51 VanDerWaalsContact O-N 3.11Å; S47-N51 PolarHBondContact O-ND2 3.48Å; S47-N51 VanDerWaalsContact O-ND2 3.08Å; N51-P53 WeakPolarHBondContact O-CD 3.26Å; N51-K123 PolarHBondContact OD1-NZ 3.28Å |
| 52 | T | 94.1 | Very high | 95.5 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -71.1 | 128.1 | -178.2 | -48.7 | 0 | 0 | 0 | 0 | 110.4 | S48 K81 | S48-T52 WeakPolarHBondContact O-CB 3.49Å; S48-T52 PolarHBondContact O-N 3.05Å; S48-T52 VanDerWaalsContact O-N 3.12Å; S48-T52 PolarHBondContact O-OG1 3.11Å; T52-K81 PolarHBondContact OG1-NZ 2.82Å |
| 53 | P | 94.8 | Very high | 95.5 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 77% | 0.766 | 31% | 0.309 | S | S | * | . | trans | -58.2 | 147 | 175.5 | -24 | 34.2 | 0 | 0 | 0 | 112.7 | N51 | N51-P53 WeakPolarHBondContact O-CD 3.26Š| ||
| 54 | H | 95.4 | Very high | 95.5 | Very high | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | trans | -150.3 | 147 | 177 | -170.9 | -98 | 0 | 0 | 0 | 110.3 | R56 K81 | H54-R56 PolarHBondContact ND1-N 2.79Å; H54-R56 PolarHBondContact ND1-O 2.8Å; H54-R56 VanDerWaalsContact ND1-O 3.14Å; H54-R56 PolarHBondContact O-N 2.85Å; H54-R56 VanDerWaalsContact O-N 3.16Å; H54-K81 HydrophobicContact CB-CG 4.09Å | ||
| 55 | H | 95.1 | Very high | 95.5 | Very high | 151 Ų | 151 | 64.5 Ų | 64.5 | 70% | 0.699 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -62.5 | -23.8 | -175.8 | 66.1 | -84.7 | 0 | 0 | 0 | 113.7 | ||
| 56 | R | 93.3 | Very high | 95.5 | Very high | 182 Ų | 182 | 74.7 Ų | 74.7 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -114.3 | 131.5 | 174.6 | -78.8 | 168.6 | -177.2 | -170.7 | 1.9 | 110.7 | H54 | H54-R56 PolarHBondContact ND1-N 2.79Å; H54-R56 PolarHBondContact ND1-O 2.8Å; H54-R56 VanDerWaalsContact ND1-O 3.14Å; H54-R56 PolarHBondContact O-N 2.85Å; H54-R56 VanDerWaalsContact O-N 3.16Å |
| 57 | P | 95.1 | Very high | 95.4 | Very high | 58 Ų | 58 | 78.8 Ų | 78.8 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | trans | -70.3 | 155.8 | 175.2 | 31.3 | -35.6 | 0 | 0 | 0 | 110.8 | R40 | R40-P57 HydrophobicContact CG-CG 4.31Š| ||
| 58 | P | 97.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 79.9 Ų | 79.9 | 17% | 0.169 | 41% | 0.412 | C | S | . | . | trans | -68 | 137.5 | 178 | 26.2 | -31 | 0 | 0 | 0 | 111.5 | V41 V43 L78 A79 I80 | V41-P58 PolarHBondContact N-O 3.47Å; V41-P58 WeakPolarHBondContact O-CG 3.48Å; V43-P58 HydrophobicContact CG2-CG 4.27Å; P58-L78 HydrophobicContact CB-CD1 4.2Å; P58-L78 HydrophobicContact CB-CD2 3.86Å; P58-L78 HydrophobicContact CB-CG 4.07Å; P58-A79 VanDerWaalsContact CA-O 3.23Å; P58-A79 WeakPolarHBondContact CA-O 3.25Å; P58-I80 HydrophobicContact CB-CB 4.17Å; P58-I80 HydrophobicContact CB-CD1 4.16Å; P58-I80 HydrophobicContact CB-CG1 4.18Å; P58-I80 HydrophobicContact CG-CD1 4.48Å | ||
| 59 | R | 97.2 | Very high | 95.5 | Very high | 82 Ų | 82 | 79.2 Ų | 79.2 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.8 | -177.2 | -67 | -173.1 | -176 | -146.8 | 8.6 | 111.9 | T39 R40 L78 A79 | T39-R59 WeakPolarHBondContact O-CA 3.43Å; R40-R59 HydrophobicContact CG-CG 4.32Å; R59-L78 VanDerWaalsContact C-CD1 3.46Å; R59-L78 WeakPolarHBondContact O-CD1 3.48Å; R59-A79 PolarHBondContact N-O 3.17Å; R59-A79 PolarHBondContact O-N 3.3Å |
| 60 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.8 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 110 | I35 Q36 M38 T39 V41 V63 V76 L78 | I35-V60 HydrophobicContact CG2-CG2 4Å; Q36-V60 WeakPolarHBondContact O-CB 3.46Å; M38-V60 PolarHBondContact N-O 2.94Å; T39-V60 PolarHBondContact O-N 3.1Å; T39-V60 VanDerWaalsContact O-N 3.07Å; V41-V60 HydrophobicContact CG1-CG2 3.88Å; V60-V63 HydrophobicContact CG1-CG2 3.93Å; V60-V76 HydrophobicContact CG1-CB 4.1Å; V60-V76 HydrophobicContact CG1-CG1 4.31Å; V60-V76 HydrophobicContact CG2-CG2 4.37Å; V60-L78 HydrophobicContact CG2-CD1 4.12Å |
| 61 | I | 97.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 82.2 Ų | 82.2 | 43% | 0.431 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -40.1 | 176.2 | -60.7 | 165.9 | 0 | 0 | 0 | 110.4 | K37 L77 A79 | K37-I61 WeakPolarHBondContact CG-O 3.37Å; I61-L77 PolarHBondContact N-O 3.12Å; I61-A79 HydrophobicContact CD1-CB 3.45Å; I61-A79 VanDerWaalsContact CD1-CB 3.45Å; I61-A79 HydrophobicContact CG1-CB 3.88Å |
| 62 | H | 97.8 | Very high | 95.8 | Very high | 78 Ų | 78 | 80.3 Ų | 80.3 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 142.9 | -176 | -176.7 | 74 | 0 | 0 | 0 | 110.6 | Y64 V76 L77 | H62-Y64 AromaticContact CD2-CD1 3.68Å; H62-Y64 AromaticContact CD2-CE1 3.68Å; H62-Y64 AromaticContact CD2-CG 3.99Å; H62-Y64 AromaticContact CD2-CZ 3.99Å; H62-Y64 AromaticContact NE2-CD1 3.7Å; H62-Y64 AromaticContact NE2-CE1 3.98Å; H62-V76 CarbonylContact O-C 3.58Å; H62-V76 WeakPolarHBondContact O-CA 3.27Å; H62-L77 HydrophobicContact CB-CB 3.91Å; H62-L77 HydrophobicContact CB-CD2 4.44Å; H62-L77 PolarHBondContact N-O 2.6Å; H62-L77 PolarHBondContact O-N 2.91Å |
| 63 | V | 98 | Very high | 95.8 | Very high | 4 Ų | 4 | 77.5 Ų | 77.5 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.5 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 106.6 | V60 T65 V76 | V60-V63 HydrophobicContact CG1-CG2 3.93Å; V63-T65 HydrophobicContact CG1-CG2 4.01Å; V63-T65 VanDerWaalsContact CG1-OG1 3.29Å; V63-T65 WeakPolarHBondContact CG1-OG1 3.42Å; V63-T65 PolarHBondContact O-N 3.08Å; V63-V76 HydrophobicContact CB-CG1 4.37Å; V63-V76 HydrophobicContact CG1-CG1 4.12Å; V63-V76 HydrophobicContact CG2-CG1 4.1Å |
| 64 | Y | 96.4 | Very high | 95.8 | Very high | 107 Ų | 107 | 74.1 Ų | 74.1 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -80.2 | 45.8 | -178.7 | -67.2 | -79.6 | 0 | 0 | 0 | 111.6 | H62 K75 L77 K86 | H62-Y64 AromaticContact CD2-CD1 3.68Å; H62-Y64 AromaticContact CD2-CE1 3.68Å; H62-Y64 AromaticContact CD2-CG 3.99Å; H62-Y64 AromaticContact CD2-CZ 3.99Å; H62-Y64 AromaticContact NE2-CD1 3.7Å; H62-Y64 AromaticContact NE2-CE1 3.98Å; Y64-K75 HydrophobicContact CD2-CB 3.7Å; Y64-K75 WeakPolarHBondContact CD2-O 3.31Å; Y64-K75 HydrophobicContact CE2-CB 4.48Å; Y64-K75 HydrophobicContact CG-CB 4.34Å; Y64-K75 PolarHBondContact N-O 3Å; Y64-K75 VanDerWaalsContact N-O 3.11Å; Y64-L77 HydrophobicContact CE2-CB 4.28Å; Y64-K86 HydrophobicContact CE2-CG 4.39Å; Y64-K86 WeakPolarHBondContact OH-CE 3.37Å |
| 65 | T | 96.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 74.1 Ų | 74.1 | 22% | 0.221 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -128.2 | 146.4 | 175.9 | 63.1 | 0 | 0 | 0 | 0 | 109.5 | V63 N67 G68 I69 D74 | V63-T65 HydrophobicContact CG1-CG2 4.01Å; V63-T65 VanDerWaalsContact CG1-OG1 3.29Å; V63-T65 WeakPolarHBondContact CG1-OG1 3.42Å; V63-T65 PolarHBondContact O-N 3.08Å; T65-N67 PolarHBondContact O-N 3.11Å; T65-G68 PolarHBondContact O-N 3.35Å; T65-G68 PolarHBondContact OG1-N 3.17Å; T65-I69 PolarHBondContact OG1-N 2.9Å; T65-I69 PolarHBondContact OG1-O 2.69Å; T65-D74 HydrophobicContact CG2-CB 4.19Å; T65-D74 WeakPolarHBondContact CG2-OD2 3.41Å |
| 66 | K | 95.8 | Very high | 96 | Very high | 216 Ų | 216 | 67 Ų | 67 | 94% | 0.939 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.2 | 179.2 | -64.5 | -177.2 | -178.7 | 178.8 | 0 | 112.2 | G68 | K66-G68 VanDerWaalsContact C-N 3.31Å; K66-G68 PolarHBondContact O-N 3.41Å |
| 67 | N | 93.7 | Very high | 96.2 | Very high | 146 Ų | 146 | 59.9 Ų | 59.9 | 78% | 0.781 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.5 | -177.7 | -58.9 | -15.8 | 0 | 0 | 0 | 113.2 | T65 I69 | T65-N67 PolarHBondContact O-N 3.11Å; N67-I69 PolarHBondContact O-N 3.43Å |
| 68 | G | 94.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 57.1 Ų | 57.1 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 72 | 6.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T65 K66 | T65-G68 PolarHBondContact O-N 3.35Å; T65-G68 PolarHBondContact OG1-N 3.17Å; K66-G68 VanDerWaalsContact C-N 3.31Å; K66-G68 PolarHBondContact O-N 3.41Å |
| 69 | I | 95.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | trans | -109.4 | 128.9 | 176.4 | -59.6 | 172.4 | 0 | 0 | 0 | 107.8 | A34 T65 N67 | A34-I69 HydrophobicContact CB-CG2 4.12Å; T65-I69 PolarHBondContact OG1-N 2.9Å; T65-I69 PolarHBondContact OG1-O 2.69Å; N67-I69 PolarHBondContact O-N 3.43Å | ||
| 70 | G | 96.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -98.8 | 129.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I35 | I35-G70 PolarHBondContact O-N 3.29Å |
| 71 | K | 95.4 | Very high | 96.2 | Very high | 116 Ų | 116 | 57.3 Ų | 57.3 | 50% | 0.504 | 29% | 0.287 | S | S | . | . | trans | -106.7 | 174.4 | 172 | -64.6 | -173.7 | 176.3 | -171.7 | 0 | 110.5 | G73 D74 I89 | K71-G73 PolarHBondContact O-N 3.24Å; K71-D74 PolarHBondContact N-OD2 3.49Å; K71-D74 WeakPolarHBondContact O-CB 3.5Å; K71-D74 PolarHBondContact O-N 2.83Å; K71-I89 WeakPolarHBondContact O-CB 3.46Å; K71-I89 WeakPolarHBondContact O-CD1 3.35Å; K71-I89 WeakPolarHBondContact O-CG2 3.34Å | ||
| 72 | V | 95 | Very high | 96.1 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.9 | 171.2 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | H92 P127 L130 | V72-H92 PolarHBondContact N-CD2 3.11Å; V72-P127 HydrophobicContact CG1-CG 3.67Å; V72-L130 HydrophobicContact CG1-CD1 4.28Å; V72-L130 HydrophobicContact CG1-CD2 3.56Å; V72-L130 HydrophobicContact CG1-CG 3.82Å |
| 73 | G | 93.9 | Very high | 96 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -13.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K71 L88 I89 L130 Y137 | K71-G73 PolarHBondContact O-N 3.24Å; G73-L88 VanDerWaalsContact O-CD1 3.26Å; G73-L88 WeakPolarHBondContact O-CD1 3.39Å; G73-I89 PolarHBondContact N-O 3.25Å; G73-L130 VanDerWaalsContact CA-CD2 3.44Å; G73-Y137 PolarHBondContact O-OH 3.1Å |
| 74 | D | 95.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | trans | -79.8 | 147.5 | 178.2 | -67.4 | -31.9 | 0 | 0 | 0 | 112.3 | T65 K71 I89 | T65-D74 HydrophobicContact CG2-CB 4.19Å; T65-D74 WeakPolarHBondContact CG2-OD2 3.41Å; K71-D74 PolarHBondContact N-OD2 3.49Å; K71-D74 WeakPolarHBondContact O-CB 3.5Å; K71-D74 PolarHBondContact O-N 2.83Å; D74-I89 HydrophobicContact CB-CD1 4.32Å; D74-I89 PolarHBondContact O-N 3.42Å | ||
| 75 | K | 96.1 | Very high | 96 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 141.7 | 172.1 | -58.3 | 179.6 | -171.5 | 174 | 0 | 109.9 | Y64 A87 I111 Y137 | Y64-K75 HydrophobicContact CD2-CB 3.7Å; Y64-K75 WeakPolarHBondContact CD2-O 3.31Å; Y64-K75 HydrophobicContact CE2-CB 4.48Å; Y64-K75 HydrophobicContact CG-CB 4.34Å; Y64-K75 PolarHBondContact N-O 3Å; Y64-K75 VanDerWaalsContact N-O 3.11Å; K75-A87 CarbonylContact C-O 3.58Å; K75-A87 WeakPolarHBondContact CA-O 3.29Å; K75-I111 HydrophobicContact CD-CD1 4.33Å; K75-I111 HydrophobicContact CG-CD1 4.18Å; K75-Y137 WeakPolarHBondContact CE-OH 2.84Å; K75-Y137 WeakPolarHBondContact CG-OH 3.35Å |
| 76 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 152.5 | 172.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | V60 H62 V63 K86 A87 I89 | V60-V76 HydrophobicContact CG1-CB 4.1Å; V60-V76 HydrophobicContact CG1-CG1 4.31Å; V60-V76 HydrophobicContact CG2-CG2 4.37Å; H62-V76 CarbonylContact O-C 3.58Å; H62-V76 WeakPolarHBondContact O-CA 3.27Å; V63-V76 HydrophobicContact CB-CG1 4.37Å; V63-V76 HydrophobicContact CG1-CG1 4.12Å; V63-V76 HydrophobicContact CG2-CG1 4.1Å; V76-K86 CarbonylContact O-C 3.59Å; V76-K86 WeakPolarHBondContact O-CA 3.42Å; V76-A87 HydrophobicContact CG2-CB 3.98Å; V76-A87 PolarHBondContact N-O 2.91Å; V76-A87 PolarHBondContact O-N 2.85Å; V76-I89 HydrophobicContact CG1-CD1 3.62Å; V76-I89 HydrophobicContact CG1-CG1 3.96Å; V76-I89 HydrophobicContact CG2-CG1 4.23Å |
| 77 | L | 98.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.1 | 170.1 | -170.6 | 66 | 0 | 0 | 0 | 109.3 | I61 H62 Y64 K84 K86 | I61-L77 PolarHBondContact N-O 3.12Å; H62-L77 HydrophobicContact CB-CB 3.91Å; H62-L77 HydrophobicContact CB-CD2 4.44Å; H62-L77 PolarHBondContact N-O 2.6Å; H62-L77 PolarHBondContact O-N 2.91Å; Y64-L77 HydrophobicContact CE2-CB 4.28Å; L77-K84 HydrophobicContact CD1-CB 4.33Å; L77-K86 HydrophobicContact CD1-CG 4.17Å |
| 78 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.1 | -174.9 | -163.5 | 71.6 | 0 | 0 | 0 | 111.2 | V41 V43 P58 R59 V60 I80 K84 K85 A87 V108 L110 | V41-L78 HydrophobicContact CG2-CD1 3.31Å; V41-L78 HydrophobicContact CG2-CD2 4.28Å; V41-L78 HydrophobicContact CG2-CG 4.43Å; V43-L78 HydrophobicContact CG2-CD2 3.97Å; P58-L78 HydrophobicContact CB-CD1 4.2Å; P58-L78 HydrophobicContact CB-CD2 3.86Å; P58-L78 HydrophobicContact CB-CG 4.07Å; R59-L78 VanDerWaalsContact C-CD1 3.46Å; R59-L78 WeakPolarHBondContact O-CD1 3.48Å; V60-L78 HydrophobicContact CG2-CD1 4.12Å; L78-I80 HydrophobicContact CD2-CB 4.35Å; L78-K84 WeakPolarHBondContact O-CA 3.48Å; L78-K85 WeakPolarHBondContact CA-O 3.39Å; L78-K85 WeakPolarHBondContact CB-O 3.4Å; L78-K85 PolarHBondContact N-O 3.07Å; L78-K85 PolarHBondContact O-N 2.79Å; L78-A87 HydrophobicContact CB-CB 4.49Å; L78-V108 HydrophobicContact CD2-CG2 4.38Å; L78-L110 HydrophobicContact CD2-CD2 3.74Å |
| 79 | A | 97.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P58 R59 I61 Q83 | P58-A79 VanDerWaalsContact CA-O 3.23Å; P58-A79 WeakPolarHBondContact CA-O 3.25Å; R59-A79 PolarHBondContact N-O 3.17Å; R59-A79 PolarHBondContact O-N 3.3Å; I61-A79 HydrophobicContact CD1-CB 3.45Å; I61-A79 VanDerWaalsContact CD1-CB 3.45Å; I61-A79 HydrophobicContact CG1-CB 3.88Å; A79-Q83 CarbonylContact C-O 3.58Å; A79-Q83 WeakPolarHBondContact CA-O 3.19Å |
| 80 | I | 96.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 129.3 | 176.6 | -172.3 | 160.9 | 0 | 0 | 0 | 110 | V43 L49 P58 L78 G82 Q83 K85 | V43-I80 HydrophobicContact CG2-CD1 3.83Å; L49-I80 WeakPolarHBondContact O-CD1 3.19Å; P58-I80 HydrophobicContact CB-CB 4.17Å; P58-I80 HydrophobicContact CB-CD1 4.16Å; P58-I80 HydrophobicContact CB-CG1 4.18Å; P58-I80 HydrophobicContact CG-CD1 4.48Å; L78-I80 HydrophobicContact CD2-CB 4.35Å; I80-G82 PolarHBondContact O-N 2.82Å; I80-G82 VanDerWaalsContact O-N 3.1Å; I80-Q83 PolarHBondContact N-O 2.89Å; I80-Q83 WeakPolarHBondContact O-CA 3.49Å; I80-Q83 WeakPolarHBondContact O-CB 3.26Å; I80-Q83 PolarHBondContact O-N 3.03Å; I80-K85 HydrophobicContact CG2-CB 4.41Å |
| 81 | K | 95.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 30% | 0.296 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 38 | -177.6 | -55.4 | -177.9 | 91.9 | -164.6 | 0 | 114.1 | L49 T52 H54 Q83 | L49-K81 HydrophobicContact CD2-CD 4.49Å; T52-K81 PolarHBondContact OG1-NZ 2.82Å; H54-K81 HydrophobicContact CB-CG 4.09Å; K81-Q83 PolarHBondContact O-N 3.24Å |
| 82 | G | 93.9 | Very high | 96.4 | Very high | 80 Ų | 80 | 37.6 Ų | 37.6 | 83% | 0.825 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 2.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I80 | I80-G82 PolarHBondContact O-N 2.82Å; I80-G82 VanDerWaalsContact O-N 3.1Å |
| 83 | Q | 95.9 | Very high | 96.4 | Very high | 107 Ų | 107 | 40.6 Ų | 40.6 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 154 | 178.3 | -58.2 | -179.2 | 10 | 0 | 0 | 111.4 | A79 I80 K81 | A79-Q83 CarbonylContact C-O 3.58Å; A79-Q83 WeakPolarHBondContact CA-O 3.19Å; I80-Q83 PolarHBondContact N-O 2.89Å; I80-Q83 WeakPolarHBondContact O-CA 3.49Å; I80-Q83 WeakPolarHBondContact O-CB 3.26Å; I80-Q83 PolarHBondContact O-N 3.03Å; K81-Q83 PolarHBondContact O-N 3.24Å |
| 84 | K | 97 | Very high | 96.4 | Very high | 171 Ų | 171 | 43.8 Ų | 43.8 | 74% | 0.743 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.8 | 169.9 | 64.5 | -176.4 | -178.3 | 179.4 | 0 | 109.4 | L77 L78 | L77-K84 HydrophobicContact CD1-CB 4.33Å; L78-K84 WeakPolarHBondContact O-CA 3.48Å |
| 85 | K | 97.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 21% | 0.213 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.3 | 173.9 | -163.7 | 71.1 | 177.1 | -175.5 | 0 | 109.4 | L78 I80 L110 I111 E112 T118 | L78-K85 WeakPolarHBondContact CA-O 3.39Å; L78-K85 WeakPolarHBondContact CB-O 3.4Å; L78-K85 PolarHBondContact N-O 3.07Å; L78-K85 PolarHBondContact O-N 2.79Å; I80-K85 HydrophobicContact CG2-CB 4.41Å; K85-L110 HydrophobicContact CG-CB 4.49Å; K85-I111 WeakPolarHBondContact CE-O 3.44Å; K85-E112 IonicContact NZ-OE1 2.67Å; K85-E112 PolarHBondContact NZ-OE1 3.06Å; K85-T118 WeakPolarHBondContact CE-OG1 3.39Å |
| 86 | K | 97.6 | Very high | 96 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 152.2 | 172.4 | -72 | 178.9 | 177.8 | 159.3 | 0 | 109.6 | Y64 V76 L77 I111 D113 | Y64-K86 HydrophobicContact CE2-CG 4.39Å; Y64-K86 WeakPolarHBondContact OH-CE 3.37Å; V76-K86 CarbonylContact O-C 3.59Å; V76-K86 WeakPolarHBondContact O-CA 3.42Å; L77-K86 HydrophobicContact CD1-CG 4.17Å; K86-I111 CarbonylContact C-O 3.46Å; K86-I111 HydrophobicContact CB-CD1 4.27Å; K86-I111 HydrophobicContact CB-CG1 3.68Å; K86-I111 PolarHBondContact O-N 3.4Å; K86-D113 WeakPolarHBondContact CD-OD1 2.99Å; K86-D113 WeakPolarHBondContact CE-OD1 3.2Å; K86-D113 IonicContact NZ-OD1 3.4Å; K86-D113 PolarHBondContact NZ-OD1 3.24Å |
| 87 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K75 V76 L78 V108 V109 L110 | K75-A87 CarbonylContact C-O 3.58Å; K75-A87 WeakPolarHBondContact CA-O 3.29Å; V76-A87 HydrophobicContact CG2-CB 3.98Å; V76-A87 PolarHBondContact N-O 2.91Å; V76-A87 PolarHBondContact O-N 2.85Å; L78-A87 HydrophobicContact CB-CB 4.49Å; A87-V108 HydrophobicContact CB-CB 4.16Å; A87-V108 HydrophobicContact CB-CG2 4.39Å; A87-V109 CarbonylContact C-O 3.6Å; A87-V109 WeakPolarHBondContact CA-O 3.45Å; A87-V109 WeakPolarHBondContact CB-O 3.45Å; A87-L110 HydrophobicContact CB-CD2 4.1Å |
| 88 | L | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.2 | 171.8 | -177.5 | 64.8 | 0 | 0 | 0 | 109.2 | G73 V90 V108 V109 I111 Y137 V140 | G73-L88 VanDerWaalsContact O-CD1 3.26Å; G73-L88 WeakPolarHBondContact O-CD1 3.39Å; L88-V90 PolarHBondContact O-N 3.37Å; L88-V108 CarbonylContact O-C 3.47Å; L88-V108 VanDerWaalsContact O-CA 3.26Å; L88-V108 WeakPolarHBondContact O-CA 3.43Å; L88-V109 PolarHBondContact N-O 3.21Å; L88-V109 PolarHBondContact O-N 3.41Å; L88-I111 HydrophobicContact CB-CG2 4.11Å; L88-Y137 HydrophobicContact CD1-CD1 4.4Å; L88-Y137 HydrophobicContact CD1-CD2 4.42Å; L88-Y137 HydrophobicContact CD1-CE1 3.82Å; L88-Y137 HydrophobicContact CD1-CE2 3.83Å; L88-Y137 VanDerWaalsContact CD1-CZ 3.47Å; L88-Y137 WeakPolarHBondContact CD1-OH 3.36Å; L88-Y137 HydrophobicContact CD2-CD1 3.94Å; L88-Y137 HydrophobicContact CD2-CD2 4.27Å; L88-Y137 HydrophobicContact CD2-CE1 4.18Å; L88-Y137 HydrophobicContact CD2-CE2 4.48Å; L88-Y137 HydrophobicContact CD2-CG 3.97Å; L88-V140 HydrophobicContact CD2-CG1 4.26Å |
| 89 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 119 | 171.8 | -61.1 | 171.2 | 0 | 0 | 0 | 108.8 | I35 K71 G73 D74 V76 V108 | I35-I89 HydrophobicContact CB-CD1 4.07Å; I35-I89 HydrophobicContact CD1-CB 4.45Å; I35-I89 HydrophobicContact CD1-CD1 3.89Å; I35-I89 HydrophobicContact CD1-CG1 4.01Å; I35-I89 HydrophobicContact CD1-CG2 3.58Å; I35-I89 HydrophobicContact CG2-CD1 3.8Å; I35-I89 HydrophobicContact CG2-CG1 4.49Å; K71-I89 WeakPolarHBondContact O-CB 3.46Å; K71-I89 WeakPolarHBondContact O-CD1 3.35Å; K71-I89 WeakPolarHBondContact O-CG2 3.34Å; G73-I89 PolarHBondContact N-O 3.25Å; D74-I89 HydrophobicContact CB-CD1 4.32Å; D74-I89 PolarHBondContact O-N 3.42Å; V76-I89 HydrophobicContact CG1-CD1 3.62Å; V76-I89 HydrophobicContact CG1-CG1 3.96Å; V76-I89 HydrophobicContact CG2-CG1 4.23Å; I89-V108 HydrophobicContact CG1-CG1 4.34Å |
| 90 | V | 96.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -19.1 | 176.9 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | V44 L88 N107 V109 I126 P127 L130 | V44-V90 HydrophobicContact CG2-CG2 3.91Å; L88-V90 PolarHBondContact O-N 3.37Å; V90-N107 HydrophobicContact CG2-CB 3.68Å; V90-N107 WeakPolarHBondContact CG2-O 3.18Å; V90-N107 PolarHBondContact N-O 2.95Å; V90-V109 HydrophobicContact CG1-CB 4.29Å; V90-V109 HydrophobicContact CG1-CG2 3.66Å; V90-V109 HydrophobicContact CG2-CG2 4.14Å; V90-I126 HydrophobicContact CB-CG1 4.39Å; V90-I126 HydrophobicContact CG1-CD1 4.38Å; V90-P127 WeakPolarHBondContact O-CD 3.26Å; V90-P127 WeakPolarHBondContact O-CG 3.23Å; V90-L130 HydrophobicContact CB-CD1 4.37Å; V90-L130 HydrophobicContact CG1-CD1 4.07Å |
| 91 | G | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 148.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N106 N107 | G91-N106 CarbonylContact O-C 3.56Å; G91-N106 WeakPolarHBondContact O-CA 3.39Å; G91-N107 PolarHBondContact N-O 3.44Å; G91-N107 PolarHBondContact O-N 3.48Å |
| 92 | H | 95.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 75.3 Ų | 75.3 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | trans | -141.3 | 160.1 | 178 | 59.6 | 57.9 | 0 | 0 | 0 | 112.3 | I35 V72 M94 F103 N106 | I35-H92 HydrophobicContact CD1-CB 3.83Å; I35-H92 HydrophobicContact CG1-CB 4.21Å; V72-H92 PolarHBondContact N-CD2 3.11Å; H92-M94 PolarHBondContact CE1-O 3.47Å; H92-M94 PolarHBondContact ND1-O 2.8Å; H92-F103 PolarHBondContact O-N 2.76Å; H92-N106 WeakPolarHBondContact CA-OD1 3.16Å | ||
| 93 | K | 94.6 | Very high | 94.8 | Very high | 102 Ų | 102 | 72.8 Ų | 72.8 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -79.1 | -22.5 | -179.8 | -166.2 | 176.4 | -177 | 176.2 | 0 | 114.4 | P33 R102 F103 N106 | P33-K93 HydrophobicContact CB-CB 4.44Å; K93-R102 PolarHBondContact O-NE 3Å; K93-R102 PolarHBondContact O-NH2 2.87Å; K93-F103 VanDerWaalsContact CA-O 3.27Å; K93-F103 WeakPolarHBondContact CA-O 3.47Å; K93-N106 PolarHBondContact N-OD1 2.91Å |
| 94 | M | 93.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 74.8 Ų | 74.8 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -59.7 | 134.2 | 176.6 | -179 | 176.2 | 173.1 | 0 | 0 | 110.1 | P33 A34 H92 G96 | P33-M94 HydrophobicContact CB-CB 4.34Å; P33-M94 HydrophobicContact CG-CB 4.47Å; P33-M94 PolarHBondContact O-N 3.14Å; A34-M94 HydrophobicContact CB-SD 3.96Å; H92-M94 PolarHBondContact CE1-O 3.47Å; H92-M94 PolarHBondContact ND1-O 2.8Å; M94-G96 PolarHBondContact O-N 3.24Å |
| 95 | P | 92.7 | Very high | 94.6 | Very high | 79 Ų | 79 | 68.4 Ų | 68.4 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | trans | -62.1 | 125.6 | 170.9 | 26.9 | -33.3 | 0 | 0 | 0 | 109.2 | ||||
| 96 | G | 90.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 67.2 Ų | 67.2 | 43% | 0.433 | 34% | 0.337 | S | S | . | . | trans | -92.1 | -160.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | M94 | M94-G96 PolarHBondContact O-N 3.24Š| ||
| 97 | D | 90.2 | Very high | 94.4 | Very high | 121 Ų | 121 | 65.1 Ų | 65.1 | 65% | 0.647 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -67.7 | 163.8 | 175.4 | -59.8 | -46.4 | 0 | 0 | 0 | 111.4 | T100 | D97-T100 HydrophobicContact CB-CG2 4.24Å; D97-T100 PolarHBondContact N-OG1 3.11Å; D97-T100 PolarHBondContact O-N 3.34Å; D97-T100 PolarHBondContact O-OG1 3.33Å |
| 98 | R | 92.6 | Very high | 94.4 | Very high | 239 Ų | 239 | 65.1 Ų | 65.1 | 90% | 0.902 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 144.7 | 175.7 | -65.6 | -174.7 | -178.2 | -160.4 | 0.9 | 109.9 | T100 | R98-T100 PolarHBondContact O-N 2.91Š|
| 99 | M | 92.5 | Very high | 94.5 | Very high | 201 Ų | 201 | 65.1 Ų | 65.1 | 99% | 0.99 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 19 | -176.5 | -52.4 | -62.2 | -167.6 | 0 | 0 | 115 | ||
| 100 | T | 92.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | trans | -106 | 139.9 | 169.1 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | D97 R98 | D97-T100 HydrophobicContact CB-CG2 4.24Å; D97-T100 PolarHBondContact N-OG1 3.11Å; D97-T100 PolarHBondContact O-N 3.34Å; D97-T100 PolarHBondContact O-OG1 3.33Å; R98-T100 PolarHBondContact O-N 2.91Å | ||
| 101 | P | 95.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 65 Ų | 65 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | trans | -71.3 | 140.6 | 179 | 29.5 | -34.8 | 0 | 0 | 0 | 110.7 | F103 P127 V148 | P101-F103 HydrophobicContact CB-CE2 4.31Å; P101-F103 HydrophobicContact CB-CZ 4.47Å; P101-F103 HydrophobicContact CG-CE2 4.1Å; P101-F103 HydrophobicContact CG-CZ 4.37Å; P101-P127 HydrophobicContact CG-CB 3.65Å; P101-V148 HydrophobicContact CB-CG1 3.98Å; P101-V148 HydrophobicContact CG-CG1 4.48Å | ||
| 102 | R | 94.9 | Very high | 94.5 | Very high | 153 Ų | 153 | 68.5 Ų | 68.5 | 58% | 0.577 | 34% | 0.344 | S | S | * | . | trans | -104.6 | 129.5 | 172.9 | -177.5 | -179.9 | 180 | -169.5 | -3.5 | 109.3 | K93 | K93-R102 PolarHBondContact O-NE 3Å; K93-R102 PolarHBondContact O-NH2 2.87Å | ||
| 103 | F | 95.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 73.4 Ų | 73.4 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | trans | -102.1 | 151.5 | 178.1 | -64.6 | -87.3 | 0 | 0 | 0 | 111 | H92 K93 P101 S105 P125 P127 | H92-F103 PolarHBondContact O-N 2.76Å; K93-F103 VanDerWaalsContact CA-O 3.27Å; K93-F103 WeakPolarHBondContact CA-O 3.47Å; P101-F103 HydrophobicContact CB-CE2 4.31Å; P101-F103 HydrophobicContact CB-CZ 4.47Å; P101-F103 HydrophobicContact CG-CE2 4.1Å; P101-F103 HydrophobicContact CG-CZ 4.37Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-P125 HydrophobicContact CE1-CG 4.34Å; F103-P127 HydrophobicContact CE2-CG 4.35Å | ||
| 104 | D | 93.9 | Very high | 94 | Very high | 149 Ų | 149 | 74.9 Ų | 74.9 | 80% | 0.797 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -75.3 | -27.6 | 175.5 | -65.6 | -42 | 0 | 0 | 0 | 112.8 | ||
| 105 | S | 94.2 | Very high | 93.8 | Very high | 37 Ų | 37 | 72.2 Ų | 72.2 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -115.2 | 147 | -179.7 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | F103 N107 | F103-S105 VanDerWaalsContact C-N 3.34Å; S105-N107 PolarHBondContact O-N 2.91Å; S105-N107 PolarHBondContact OG-ND2 2.81Å; S105-N107 PolarHBondContact OG-OD1 2.94Å |
| 106 | N | 95.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | trans | -77.1 | 104.7 | 171.1 | -64.3 | -33 | 0 | 0 | 0 | 109.1 | I35 V41 R42 G91 H92 K93 | I35-N106 HydrophobicContact CD1-CB 3.99Å; I35-N106 HydrophobicContact CG1-CB 4.13Å; V41-N106 HydrophobicContact CG1-CB 4.16Å; R42-N106 PolarHBondContact N-O 3.19Å; G91-N106 CarbonylContact O-C 3.56Å; G91-N106 WeakPolarHBondContact O-CA 3.39Å; H92-N106 WeakPolarHBondContact CA-OD1 3.16Å; K93-N106 PolarHBondContact N-OD1 2.91Å | ||
| 107 | N | 96.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132 | -172.1 | -63.4 | -31.6 | 0 | 0 | 0 | 110.2 | R42 V44 V90 G91 S105 | R42-N107 WeakPolarHBondContact O-CA 3.34Å; V44-N107 HydrophobicContact CG1-CB 3.82Å; V44-N107 HydrophobicContact CG2-CB 4.32Å; V90-N107 HydrophobicContact CG2-CB 3.68Å; V90-N107 WeakPolarHBondContact CG2-O 3.18Å; V90-N107 PolarHBondContact N-O 2.95Å; G91-N107 PolarHBondContact N-O 3.44Å; G91-N107 PolarHBondContact O-N 3.48Å; S105-N107 PolarHBondContact O-N 2.91Å; S105-N107 PolarHBondContact OG-ND2 2.81Å; S105-N107 PolarHBondContact OG-OD1 2.94Å |
| 108 | V | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.3 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | V41 R42 V43 V44 L78 A87 L88 I89 | V41-V108 HydrophobicContact CB-CG1 4Å; V41-V108 HydrophobicContact CB-CG2 4.02Å; V41-V108 HydrophobicContact CG1-CG1 4.11Å; V41-V108 HydrophobicContact CG2-CG1 4.24Å; V41-V108 HydrophobicContact CG2-CG2 3.64Å; R42-V108 PolarHBondContact O-N 2.79Å; V43-V108 WeakPolarHBondContact CA-O 3.49Å; V43-V108 HydrophobicContact CG2-CG2 4.04Å; V44-V108 WeakPolarHBondContact CG2-O 3.26Å; V44-V108 PolarHBondContact N-O 2.92Å; L78-V108 HydrophobicContact CD2-CG2 4.38Å; A87-V108 HydrophobicContact CB-CB 4.16Å; A87-V108 HydrophobicContact CB-CG2 4.39Å; L88-V108 CarbonylContact O-C 3.47Å; L88-V108 VanDerWaalsContact O-CA 3.26Å; L88-V108 WeakPolarHBondContact O-CA 3.43Å; I89-V108 HydrophobicContact CG1-CG1 4.34Å |
| 109 | V | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132.9 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | V44 D45 A87 L88 V90 I122 V140 | V44-V109 HydrophobicContact CG2-CG2 3.78Å; D45-V109 HydrophobicContact CB-CG1 4.37Å; A87-V109 CarbonylContact C-O 3.6Å; A87-V109 WeakPolarHBondContact CA-O 3.45Å; A87-V109 WeakPolarHBondContact CB-O 3.45Å; L88-V109 PolarHBondContact N-O 3.21Å; L88-V109 PolarHBondContact O-N 3.41Å; V90-V109 HydrophobicContact CG1-CB 4.29Å; V90-V109 HydrophobicContact CG1-CG2 3.66Å; V90-V109 HydrophobicContact CG2-CG2 4.14Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG1-CG1 4.49Å; V109-I122 HydrophobicContact CG2-CD1 4Å; V109-I122 HydrophobicContact CG2-CG1 4.12Å; V109-I122 HydrophobicContact CG2-CG2 4.39Å; V109-V140 HydrophobicContact CG1-CG1 4.26Å |
| 110 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 134.3 | 179.3 | -58.7 | -178.8 | 0 | 0 | 0 | 110.5 | V43 D45 L49 L78 K85 A87 T118 | V43-L110 HydrophobicContact CG1-CD1 4.16Å; V43-L110 HydrophobicContact CG1-CD2 4.41Å; V43-L110 HydrophobicContact CG1-CG 3.86Å; V43-L110 HydrophobicContact CG2-CD2 4.21Å; D45-L110 VanDerWaalsContact OD2-CB 3.23Å; D45-L110 WeakPolarHBondContact OD2-CB 3.4Å; D45-L110 WeakPolarHBondContact OD2-CG 3.45Å; D45-L110 PolarHBondContact OD2-N 3.23Å; L49-L110 HydrophobicContact CB-CD1 4.07Å; L78-L110 HydrophobicContact CD2-CD2 3.74Å; K85-L110 HydrophobicContact CG-CB 4.49Å; A87-L110 HydrophobicContact CB-CD2 4.1Å; L110-T118 PolarHBondContact O-N 3.15Å |
| 111 | I | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154.5 | 177.5 | 65.2 | 174.9 | 0 | 0 | 0 | 110.1 | K75 K85 K86 L88 N116 Y137 V140 | K75-I111 HydrophobicContact CD-CD1 4.33Å; K75-I111 HydrophobicContact CG-CD1 4.18Å; K85-I111 WeakPolarHBondContact CE-O 3.44Å; K86-I111 CarbonylContact C-O 3.46Å; K86-I111 HydrophobicContact CB-CD1 4.27Å; K86-I111 HydrophobicContact CB-CG1 3.68Å; K86-I111 PolarHBondContact O-N 3.4Å; L88-I111 HydrophobicContact CB-CG2 4.11Å; I111-N116 CarbonylContact C-O 3.54Å; I111-N116 WeakPolarHBondContact CA-O 3.37Å; I111-Y137 HydrophobicContact CD1-CE1 4.47Å; I111-V140 HydrophobicContact CG2-CG2 4.4Å |
| 112 | E | 94.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | trans | -85.7 | 173.2 | 170.9 | -52.1 | -156.7 | 132.5 | 0 | 0 | 111.2 | K85 N114 G115 N116 | K85-E112 IonicContact NZ-OE1 2.67Å; K85-E112 PolarHBondContact NZ-OE1 3.06Å; E112-N114 PolarHBondContact O-N 2.77Å; E112-G115 PolarHBondContact O-N 3.03Å; E112-N116 PolarHBondContact N-O 3.3Å | ||
| 113 | D | 91.6 | Very high | 94.6 | Very high | 122 Ų | 122 | 51.9 Ų | 51.9 | 65% | 0.652 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.2 | 176.2 | -66.3 | -49.7 | 0 | 0 | 0 | 112.4 | K86 G115 | K86-D113 WeakPolarHBondContact CD-OD1 2.99Å; K86-D113 WeakPolarHBondContact CE-OD1 3.2Å; K86-D113 IonicContact NZ-OD1 3.4Å; K86-D113 PolarHBondContact NZ-OD1 3.24Å; D113-G115 VanDerWaalsContact C-N 3.26Å; D113-G115 PolarHBondContact O-N 2.67Å |
| 114 | N | 89.4 | Confident | 94.6 | Very high | 132 Ų | 132 | 51.5 Ų | 51.5 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 0.2 | 177.8 | -58.8 | -13.9 | 0 | 0 | 0 | 113.6 | E112 N116 | E112-N114 PolarHBondContact O-N 2.77Å; N114-N116 VanDerWaalsContact C-N 3.25Å; N114-N116 PolarHBondContact O-N 3.03Å |
| 115 | G | 87.8 | Confident | 94.8 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 80.7 | -3.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E112 D113 | E112-G115 PolarHBondContact O-N 3.03Å; D113-G115 VanDerWaalsContact C-N 3.26Å; D113-G115 PolarHBondContact O-N 2.67Å |
| 116 | N | 94.3 | Very high | 94.8 | Very high | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | trans | -68.2 | 140.7 | 173.4 | -64.2 | -33.1 | 0 | 0 | 0 | 110.9 | I111 E112 N114 K139 | I111-N116 CarbonylContact C-O 3.54Å; I111-N116 WeakPolarHBondContact CA-O 3.37Å; E112-N116 PolarHBondContact N-O 3.3Å; N114-N116 VanDerWaalsContact C-N 3.25Å; N114-N116 PolarHBondContact O-N 3.03Å; N116-K139 WeakPolarHBondContact OD1-CD 3.47Å; N116-K139 WeakPolarHBondContact OD1-CE 3.36Å; N116-K139 PolarHBondContact OD1-NZ 3.32Å | ||
| 117 | P | 96.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 16% | 0.156 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 140.3 | 171.3 | 26 | -30 | 0 | 0 | 0 | 110.5 | K139 V140 I143 | P117-K139 HydrophobicContact CG-CB 4.26Å; P117-V140 HydrophobicContact CB-CG2 4.15Å; P117-V140 HydrophobicContact CG-CG2 4.31Å; P117-I143 HydrophobicContact CB-CD1 4.34Å; P117-I143 HydrophobicContact CG-CD1 3.55Å |
| 118 | T | 95.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 47 Ų | 47 | 26% | 0.264 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -78.1 | -29.8 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | K85 L110 | K85-T118 WeakPolarHBondContact CE-OG1 3.39Å; L110-T118 PolarHBondContact O-N 3.15Å |
| 119 | G | 94.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -92.3 | 159.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | N46 | N46-G119 WeakPolarHBondContact OD1-CA 3.37Š|
| 120 | T | 95.9 | Very high | 94.2 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 69% | 0.687 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -96.7 | -16.3 | 178.4 | -40.1 | 0 | 0 | 0 | 0 | 113.3 | N46 I143 | N46-T120 PolarHBondContact OD1-N 2.64Å; T120-I143 WeakPolarHBondContact O-CG2 3.04Å |
| 121 | R | 95.1 | Very high | 93.9 | Very high | 138 Ų | 138 | 54.2 Ų | 54.2 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | trans | -145.6 | 136.5 | -180 | -159.3 | 175.4 | -155.9 | -120.7 | -1.5 | 111.7 | N46 I143 N145 | N46-R121 HydrophobicContact CB-CB 4.41Å; N46-R121 PolarHBondContact N-O 2.95Å; N46-R121 PolarHBondContact OD1-N 3.37Å; N46-R121 PolarHBondContact OD1-O 3.34Å; R121-I143 VanDerWaalsContact CA-CG2 3.43Å; R121-N145 PolarHBondContact NE-ND2 3.21Å; R121-N145 VanDerWaalsContact NE-ND2 3.15Å; R121-N145 VanDerWaalsContact NH2-CG 3.3Å; R121-N145 PolarHBondContact NH2-ND2 2.77Å; R121-N145 PolarHBondContact NH2-OD1 3.02Å | ||
| 122 | I | 96.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -100.7 | 127.1 | 172.9 | -59.4 | 163.5 | 0 | 0 | 0 | 108.9 | V44 V109 V124 I126 V140 I143 A144 N145 | V44-I122 HydrophobicContact CG2-CG2 4.26Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG1-CG1 4.49Å; V109-I122 HydrophobicContact CG2-CD1 4Å; V109-I122 HydrophobicContact CG2-CG1 4.12Å; V109-I122 HydrophobicContact CG2-CG2 4.39Å; I122-V124 HydrophobicContact CG2-CG2 4.17Å; I122-I126 HydrophobicContact CB-CD1 4.27Å; I122-I126 HydrophobicContact CD1-CD1 3.46Å; I122-I126 VanDerWaalsContact CD1-CD1 3.46Å; I122-I126 HydrophobicContact CG1-CD1 4.39Å; I122-I126 HydrophobicContact CG2-CD1 3.76Å; I122-I126 HydrophobicContact CG2-CG1 4.25Å; I122-V140 HydrophobicContact CD1-CG1 3.86Å; I122-I143 HydrophobicContact CD1-CG2 4.38Å; I122-I143 HydrophobicContact CG1-CG2 4.13Å; I122-A144 HydrophobicContact CD1-CB 4.41Å; I122-N145 PolarHBondContact O-ND2 3.25Å |
| 123 | K | 90.7 | Very high | 92.8 | Very high | 128 Ų | 128 | 62.6 Ų | 62.6 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | trans | -86.7 | -20.1 | -171 | -63.1 | 177.4 | -178.1 | 171.5 | 0 | 114 | V44 N51 | V44-K123 PolarHBondContact O-N 3.45Å; V44-K123 VanDerWaalsContact O-N 3.11Å; N51-K123 PolarHBondContact OD1-NZ 3.28Å | ||
| 124 | V | 95.1 | Very high | 91.8 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -109.9 | 156.4 | -174.1 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | V44 I122 | V44-V124 HydrophobicContact CB-CB 4.41Å; V44-V124 HydrophobicContact CB-CG1 3.98Å; V44-V124 HydrophobicContact CB-CG2 3.56Å; V44-V124 HydrophobicContact CG1-CB 4.47Å; V44-V124 HydrophobicContact CG1-CG1 3.81Å; V44-V124 HydrophobicContact CG1-CG2 3.81Å; V44-V124 HydrophobicContact CG2-CG2 3.57Å; I122-V124 HydrophobicContact CG2-CG2 4.17Å |
| 125 | P | 96.1 | Very high | 91.3 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | trans | -62.8 | 145 | 171.7 | 24.6 | -33 | 0 | 0 | 0 | 111.7 | F103 T146 V148 | F103-P125 HydrophobicContact CE1-CG 4.34Å; P125-T146 WeakPolarHBondContact CA-O 3.19Å; P125-T146 HydrophobicContact CB-CG2 4.1Å; P125-V148 HydrophobicContact CB-CG2 3.66Å; P125-V148 HydrophobicContact CG-CG2 4.34Å | ||
| 126 | I | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -112.4 | 139.9 | 179 | -75.9 | 176.7 | 0 | 0 | 0 | 110 | V90 I122 L130 A144 T146 F147 V148 | V90-I126 HydrophobicContact CB-CG1 4.39Å; V90-I126 HydrophobicContact CG1-CD1 4.38Å; I122-I126 HydrophobicContact CB-CD1 4.27Å; I122-I126 HydrophobicContact CD1-CD1 3.46Å; I122-I126 VanDerWaalsContact CD1-CD1 3.46Å; I122-I126 HydrophobicContact CG1-CD1 4.39Å; I122-I126 HydrophobicContact CG2-CD1 3.76Å; I122-I126 HydrophobicContact CG2-CG1 4.25Å; I126-L130 HydrophobicContact CG2-CB 4.46Å; I126-L130 HydrophobicContact CG2-CD1 3.63Å; I126-L130 HydrophobicContact CG2-CG 4.43Å; I126-A144 HydrophobicContact CB-CB 4.49Å; I126-A144 HydrophobicContact CD1-CB 3.61Å; I126-A144 HydrophobicContact CG1-CB 4.43Å; I126-T146 PolarHBondContact N-O 3.31Å; I126-F147 HydrophobicContact CB-CD1 4.4Å; I126-F147 HydrophobicContact CB-CE1 4.43Å; I126-F147 HydrophobicContact CG2-CD1 4.34Å; I126-F147 HydrophobicContact CG2-CE1 4.2Å; I126-F147 CarbonylContact O-C 3.59Å; I126-F147 WeakPolarHBondContact O-CA 3.18Å; I126-V148 PolarHBondContact O-N 2.79Å |
| 127 | P | 95.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -64 | 136.6 | 175.6 | 25.4 | -34.2 | 0 | 0 | 0 | 112.4 | V72 V90 P101 F103 S129 L130 V148 | V72-P127 HydrophobicContact CG1-CG 3.67Å; V90-P127 WeakPolarHBondContact O-CD 3.26Å; V90-P127 WeakPolarHBondContact O-CG 3.23Å; P101-P127 HydrophobicContact CG-CB 3.65Å; F103-P127 HydrophobicContact CE2-CG 4.35Å; P127-S129 PolarHBondContact O-N 2.68Å; P127-L130 HydrophobicContact CG-CD1 4.31Å; P127-L130 HydrophobicContact CG-CG 4.21Å; P127-L130 PolarHBondContact O-N 3.33Å; P127-V148 CarbonylContact C-O 3.59Å; P127-V148 VanDerWaalsContact CA-O 3.26Å; P127-V148 WeakPolarHBondContact CA-O 3.36Å | ||
| 128 | T | 94.4 | Very high | 90.6 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -59.9 | -23.8 | 175.1 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | L130 R131 F147 V148 | T128-L130 PolarHBondContact O-N 3.35Å; T128-L130 VanDerWaalsContact O-N 3.15Å; T128-R131 WeakPolarHBondContact O-CB 3.01Å; T128-R131 PolarHBondContact O-N 3.19Å; T128-F147 HydrophobicContact CG2-CB 3.87Å; T128-V148 PolarHBondContact N-O 3.4Å; T128-V148 PolarHBondContact OG1-O 2.57Å |
| 129 | S | 91.6 | Very high | 90.4 | Very high | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -56.6 | -28.4 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | P127 R131 Q132 | P127-S129 PolarHBondContact O-N 2.68Å; S129-R131 PolarHBondContact O-N 2.85Å; S129-Q132 PolarHBondContact O-N 3.35Å |
| 130 | L | 92.1 | Very high | 90.4 | Very high | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -67.6 | -18.4 | 176.6 | -70.5 | -177.4 | 0 | 0 | 0 | 113.7 | V72 G73 V90 I126 P127 T128 Q132 M133 L141 | V72-L130 HydrophobicContact CG1-CD1 4.28Å; V72-L130 HydrophobicContact CG1-CD2 3.56Å; V72-L130 HydrophobicContact CG1-CG 3.82Å; G73-L130 VanDerWaalsContact CA-CD2 3.44Å; V90-L130 HydrophobicContact CB-CD1 4.37Å; V90-L130 HydrophobicContact CG1-CD1 4.07Å; I126-L130 HydrophobicContact CG2-CB 4.46Å; I126-L130 HydrophobicContact CG2-CD1 3.63Å; I126-L130 HydrophobicContact CG2-CG 4.43Å; P127-L130 HydrophobicContact CG-CD1 4.31Å; P127-L130 HydrophobicContact CG-CG 4.21Å; P127-L130 PolarHBondContact O-N 3.33Å; T128-L130 PolarHBondContact O-N 3.35Å; T128-L130 VanDerWaalsContact O-N 3.15Å; L130-Q132 PolarHBondContact O-N 3.22Å; L130-M133 PolarHBondContact O-N 3.22Å; L130-M133 VanDerWaalsContact O-N 3.1Å; L130-L141 HydrophobicContact CB-CD2 3.95Å |
| 131 | R | 91.5 | Very high | 90.3 | Very high | 101 Ų | 101 | 62 Ų | 62 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -67.6 | -23.7 | 177.2 | -68.1 | -177.8 | 169.9 | -84.7 | 2.8 | 113.1 | T128 S129 M133 E134 L141 | T128-R131 WeakPolarHBondContact O-CB 3.01Å; T128-R131 PolarHBondContact O-N 3.19Å; S129-R131 PolarHBondContact O-N 2.85Å; R131-M133 PolarHBondContact O-N 3.4Å; R131-M133 VanDerWaalsContact O-N 3.13Å; R131-E134 IonicContact NH1-OE1 3.41Å; R131-E134 PolarHBondContact NH1-OE1 3.37Å; R131-E134 WeakPolarHBondContact O-CB 3.41Å; R131-E134 WeakPolarHBondContact O-CG 3.49Å; R131-E134 PolarHBondContact O-N 2.88Å; R131-L141 HydrophobicContact CG-CD2 4.45Å |
| 132 | Q | 87.8 | Confident | 90.2 | Very high | 177 Ų | 177 | 59.4 Ų | 59.4 | 83% | 0.827 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -63.2 | -19.5 | 173.7 | -60.6 | 177.9 | 10 | 0 | 0 | 111.9 | S129 L130 | S129-Q132 PolarHBondContact O-N 3.35Å; L130-Q132 PolarHBondContact O-N 3.22Å |
| 133 | M | 79.9 | Confident | 90.2 | Very high | 74 Ų | 74 | 61.1 Ų | 61.1 | 37% | 0.365 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -103.1 | 28.6 | 179.7 | -53.3 | -177.4 | 77.3 | 0 | 0 | 112.4 | L130 R131 G135 D136 Y137 | L130-M133 PolarHBondContact O-N 3.22Å; L130-M133 VanDerWaalsContact O-N 3.1Å; R131-M133 PolarHBondContact O-N 3.4Å; R131-M133 VanDerWaalsContact O-N 3.13Å; M133-G135 PolarHBondContact O-N 3.22Å; M133-D136 PolarHBondContact O-N 3.27Å; M133-Y137 HydrophobicContact CB-CD2 4.23Å; M133-Y137 HydrophobicContact CE-CE2 3.98Å; M133-Y137 HydrophobicContact SD-CE2 4.47Å |
| 134 | E | 70.8 | Confident | 90.4 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.7 | -21.9 | -171.9 | -101.8 | 172.3 | -166 | 0 | 0 | 114.7 | R131 S138 L141 | R131-E134 IonicContact NH1-OE1 3.41Å; R131-E134 PolarHBondContact NH1-OE1 3.37Å; R131-E134 WeakPolarHBondContact O-CB 3.41Å; R131-E134 WeakPolarHBondContact O-CG 3.49Å; R131-E134 PolarHBondContact O-N 2.88Å; E134-S138 WeakPolarHBondContact O-CA 3.14Å; E134-S138 WeakPolarHBondContact O-CB 3.2Å; E134-S138 PolarHBondContact O-N 3.36Å; E134-S138 PolarHBondContact O-OG 2.98Å; E134-L141 HydrophobicContact CB-CD1 4.44Å; E134-L141 HydrophobicContact CG-CD1 3.54Å |
| 135 | G | 79.8 | Confident | 90.2 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.6 | -53.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M133 S138 | M133-G135 PolarHBondContact O-N 3.22Å; G135-S138 PolarHBondContact O-OG 3.27Å |
| 136 | D | 81.7 | Confident | 90.2 | Very high | 110 Ų | 110 | 60.1 Ų | 60.1 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -78.9 | -24.7 | -171.3 | -72 | -27.7 | 0 | 0 | 0 | 113.4 | M133 | M133-D136 PolarHBondContact O-N 3.27Å |
| 137 | Y | 89.1 | Confident | 90.2 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 4% | 0.043 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -130.5 | 24.8 | -170.1 | -52.2 | -65.5 | 0 | 0 | 0 | 113.7 | G73 K75 L88 I111 M133 K139 V140 L141 | G73-Y137 PolarHBondContact O-OH 3.1Å; K75-Y137 WeakPolarHBondContact CE-OH 2.84Å; K75-Y137 WeakPolarHBondContact CG-OH 3.35Å; L88-Y137 HydrophobicContact CD1-CD1 4.4Å; L88-Y137 HydrophobicContact CD1-CD2 4.42Å; L88-Y137 HydrophobicContact CD1-CE1 3.82Å; L88-Y137 HydrophobicContact CD1-CE2 3.83Å; L88-Y137 VanDerWaalsContact CD1-CZ 3.47Å; L88-Y137 WeakPolarHBondContact CD1-OH 3.36Å; L88-Y137 HydrophobicContact CD2-CD1 3.94Å; L88-Y137 HydrophobicContact CD2-CD2 4.27Å; L88-Y137 HydrophobicContact CD2-CE1 4.18Å; L88-Y137 HydrophobicContact CD2-CE2 4.48Å; L88-Y137 HydrophobicContact CD2-CG 3.97Å; I111-Y137 HydrophobicContact CD1-CE1 4.47Å; M133-Y137 HydrophobicContact CB-CD2 4.23Å; M133-Y137 HydrophobicContact CE-CE2 3.98Å; M133-Y137 HydrophobicContact SD-CE2 4.47Å; Y137-K139 PolarHBondContact O-N 3.15Å; Y137-K139 VanDerWaalsContact O-N 3.16Å; Y137-V140 HydrophobicContact CD1-CG2 4.43Å; Y137-V140 WeakPolarHBondContact O-CA 3.36Å; Y137-V140 WeakPolarHBondContact O-CB 3.33Å; Y137-V140 PolarHBondContact O-N 3.02Å; Y137-L141 PolarHBondContact O-N 3.13Å |
| 138 | S | 92.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 67.5 Ų | 67.5 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.7 | -41.3 | -178 | -12.4 | 0 | 0 | 0 | 0 | 111.9 | E134 G135 V140 L141 A142 | E134-S138 WeakPolarHBondContact O-CA 3.14Å; E134-S138 WeakPolarHBondContact O-CB 3.2Å; E134-S138 PolarHBondContact O-N 3.36Å; E134-S138 PolarHBondContact O-OG 2.98Å; G135-S138 PolarHBondContact O-OG 3.27Å; S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.44Å; S138-L141 PolarHBondContact O-N 3.32Å; S138-A142 WeakPolarHBondContact O-CB 3.4Å; S138-A142 PolarHBondContact O-N 3.3Å |
| 139 | K | 92.9 | Very high | 89.9 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 54% | 0.535 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.1 | -32 | 178.2 | -66.3 | 180 | -174.4 | 175.8 | 0 | 113.3 | N116 P117 Y137 I143 | N116-K139 WeakPolarHBondContact OD1-CD 3.47Å; N116-K139 WeakPolarHBondContact OD1-CE 3.36Å; N116-K139 PolarHBondContact OD1-NZ 3.32Å; P117-K139 HydrophobicContact CG-CB 4.26Å; Y137-K139 PolarHBondContact O-N 3.15Å; Y137-K139 VanDerWaalsContact O-N 3.16Å; K139-I143 WeakPolarHBondContact O-CG1 3.49Å |
| 140 | V | 94.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.1 | -44.6 | 175.5 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | L88 V109 I111 P117 I122 Y137 S138 I143 A144 | L88-V140 HydrophobicContact CD2-CG1 4.26Å; V109-V140 HydrophobicContact CG1-CG1 4.26Å; I111-V140 HydrophobicContact CG2-CG2 4.4Å; P117-V140 HydrophobicContact CB-CG2 4.15Å; P117-V140 HydrophobicContact CG-CG2 4.31Å; I122-V140 HydrophobicContact CD1-CG1 3.86Å; Y137-V140 HydrophobicContact CD1-CG2 4.43Å; Y137-V140 WeakPolarHBondContact O-CA 3.36Å; Y137-V140 WeakPolarHBondContact O-CB 3.33Å; Y137-V140 PolarHBondContact O-N 3.02Å; S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.44Å; V140-I143 PolarHBondContact O-N 2.92Å; V140-A144 PolarHBondContact O-N 3.16Å |
| 141 | L | 94 | Very high | 89.7 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 178.4 | -65.9 | 172 | 0 | 0 | 0 | 112.3 | L130 R131 E134 Y137 S138 I143 A144 F147 | L130-L141 HydrophobicContact CB-CD2 3.95Å; R131-L141 HydrophobicContact CG-CD2 4.45Å; E134-L141 HydrophobicContact CB-CD1 4.44Å; E134-L141 HydrophobicContact CG-CD1 3.54Å; Y137-L141 PolarHBondContact O-N 3.13Å; S138-L141 PolarHBondContact O-N 3.32Å; L141-I143 PolarHBondContact O-N 3.19Å; L141-A144 WeakPolarHBondContact O-CB 3.18Å; L141-A144 PolarHBondContact O-N 2.99Å; L141-F147 HydrophobicContact CD2-CE1 4.11Å |
| 142 | A | 93.9 | Very high | 89.5 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 70% | 0.702 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.2 | -25.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S138 | S138-A142 WeakPolarHBondContact O-CB 3.4Å; S138-A142 PolarHBondContact O-N 3.3Å |
| 143 | I | 95.5 | Very high | 89.7 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 21% | 0.205 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -90.5 | -13.6 | -178.6 | -72.3 | 176.3 | 0 | 0 | 0 | 112.4 | P117 T120 R121 I122 K139 V140 L141 | P117-I143 HydrophobicContact CB-CD1 4.34Å; P117-I143 HydrophobicContact CG-CD1 3.55Å; T120-I143 WeakPolarHBondContact O-CG2 3.04Å; R121-I143 VanDerWaalsContact CA-CG2 3.43Å; I122-I143 HydrophobicContact CD1-CG2 4.38Å; I122-I143 HydrophobicContact CG1-CG2 4.13Å; K139-I143 WeakPolarHBondContact O-CG1 3.49Å; V140-I143 PolarHBondContact O-N 2.92Å; L141-I143 PolarHBondContact O-N 3.19Å |
| 144 | A | 94.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 132.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I122 I126 V140 L141 F147 | I122-A144 HydrophobicContact CD1-CB 4.41Å; I126-A144 HydrophobicContact CB-CB 4.49Å; I126-A144 HydrophobicContact CD1-CB 3.61Å; I126-A144 HydrophobicContact CG1-CB 4.43Å; V140-A144 PolarHBondContact O-N 3.16Å; L141-A144 WeakPolarHBondContact O-CB 3.18Å; L141-A144 PolarHBondContact O-N 2.99Å; A144-F147 HydrophobicContact CB-CE1 4.16Å; A144-F147 HydrophobicContact CB-CE2 4.08Å; A144-F147 HydrophobicContact CB-CZ 3.6Å |
| 145 | N | 92.1 | Very high | 91.7 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | trans | -91.1 | -33.6 | -179.4 | -60.7 | -76 | 0 | 0 | 0 | 113.3 | R121 I122 | R121-N145 PolarHBondContact NE-ND2 3.21Å; R121-N145 VanDerWaalsContact NE-ND2 3.15Å; R121-N145 VanDerWaalsContact NH2-CG 3.3Å; R121-N145 PolarHBondContact NH2-ND2 2.77Å; R121-N145 PolarHBondContact NH2-OD1 3.02Å; I122-N145 PolarHBondContact O-ND2 3.25Å | ||
| 146 | T | 94.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | trans | -131.8 | 137.1 | -169.7 | -49.3 | 0 | 0 | 0 | 0 | 109.7 | P125 I126 | P125-T146 WeakPolarHBondContact CA-O 3.19Å; P125-T146 HydrophobicContact CB-CG2 4.1Å; I126-T146 PolarHBondContact N-O 3.31Å | ||
| 147 | F | 95.4 | Very high | 93.5 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 25% | 0.25 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -122.4 | 146.3 | 179.8 | -66.5 | -90.8 | 0 | 0 | 0 | 111 | I126 T128 L141 A144 | I126-F147 HydrophobicContact CB-CD1 4.4Å; I126-F147 HydrophobicContact CB-CE1 4.43Å; I126-F147 HydrophobicContact CG2-CD1 4.34Å; I126-F147 HydrophobicContact CG2-CE1 4.2Å; I126-F147 CarbonylContact O-C 3.59Å; I126-F147 WeakPolarHBondContact O-CA 3.18Å; T128-F147 HydrophobicContact CG2-CB 3.87Å; L141-F147 HydrophobicContact CD2-CE1 4.11Å; A144-F147 HydrophobicContact CB-CE1 4.16Å; A144-F147 HydrophobicContact CB-CE2 4.08Å; A144-F147 HydrophobicContact CB-CZ 3.6Å |
| 148 | V | 94.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | trans | -131.1 | 0 | 178 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | P101 P125 I126 P127 T128 | P101-V148 HydrophobicContact CB-CG1 3.98Å; P101-V148 HydrophobicContact CG-CG1 4.48Å; P125-V148 HydrophobicContact CB-CG2 3.66Å; P125-V148 HydrophobicContact CG-CG2 4.34Å; I126-V148 PolarHBondContact O-N 2.79Å; P127-V148 CarbonylContact C-O 3.59Å; P127-V148 VanDerWaalsContact CA-O 3.26Å; P127-V148 WeakPolarHBondContact CA-O 3.36Å; T128-V148 PolarHBondContact N-O 3.4Å; T128-V148 PolarHBondContact OG1-O 2.57Å |
Retrieved 148 of 148 residues in 24.1 ms
(Link to these results)