| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.1 | Very low | 34.8 | Very low | 249 Ų | 249 | 139.9 Ų | 139.9 | 100% | 1.227 | 85% | 0.847 | S | S | * | * | 0 | 109.2 | 0 | -87.4 | 166.6 | 163.6 | 0 | 0 | 109.4 | |||||
| 2 | R | 44.6 | Very low | 34.4 | Very low | 243 Ų | 243 | 149.7 Ų | 149.7 | 92% | 0.917 | 86% | 0.857 | S | S | * | * | trans | -120.7 | 142.3 | 159.6 | -80.8 | -174.9 | 165 | -176.4 | -3.6 | 105.7 | ||||
| 3 | P | 41.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 90% | 0.903 | 85% | 0.846 | S | S | * | * | -143.5 | 178.3 | 91.8 | 29.1 | -7.8 | 0 | 0 | 0 | 110.8 | |||||
| 4 | G | 31.3 | Very low | 34.5 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | cis | 174.1 | 140.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 5 | G | 30.2 | Very low | 34.6 | Very low | 71 Ų | 71 | 152.2 Ų | 152.2 | 73% | 0.732 | 85% | 0.846 | S | S | * | * | 117.5 | 103.5 | 104.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 6 | F | 31.2 | Very low | 34.7 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | 68.8 | 109.1 | 102.2 | -97.1 | -102.8 | 0 | 0 | 0 | 117 | |||||
| 7 | L | 31.6 | Very low | 35 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 80% | 0.796 | 84% | 0.838 | S | S | * | * | trans | 43.4 | 125 | 136.5 | -76.4 | 110.6 | 0 | 0 | 0 | 122.1 | ||||
| 8 | G | 31.4 | Very low | 34.8 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | 81.7 | 87.9 | 119 | 0 | 0 | 0 | 0 | 0 | 118.1 | G10 | G8-G10 PolarHBondContact O-N 3.42Š| |||
| 9 | A | 31.9 | Very low | 34.8 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 93% | 0.934 | 83% | 0.834 | S | S | * | * | trans | -95.9 | 74.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | G | 27.9 | Very low | 35 | Very low | 60 Ų | 60 | 147.6 Ų | 147.6 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | trans | -72.3 | 147.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G8 | G8-G10 PolarHBondContact O-N 3.42Š| ||
| 11 | Q | 40.3 | Very low | 35.2 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 57.9 | 95.3 | 151.6 | -55 | -176.8 | 43.6 | 0 | 0 | 117.6 | ||||
| 12 | R | 30.2 | Very low | 35.6 | Very low | 257 Ų | 257 | 139.1 Ų | 139.1 | 97% | 0.97 | 78% | 0.78 | S | S | * | * | trans | -92.7 | 90 | 149.3 | -70.2 | -173.2 | -155.2 | -116.6 | 1.9 | 108.6 | S14 | R12-S14 PolarHBondContact O-N 3.17Š| ||
| 13 | L | 36.2 | Very low | 35.5 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -57 | 113.1 | 167.3 | -74.3 | 153.4 | 0 | 0 | 0 | 109.5 | R15 | L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.46Å | ||
| 14 | S | 33.6 | Very low | 35.6 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -71.3 | 90.4 | 166.5 | 56.4 | 0 | 0 | 0 | 0 | 109.1 | R12 A16 | R12-S14 PolarHBondContact O-N 3.17Å; S14-A16 PolarHBondContact O-N 3.48Å | ||
| 15 | R | 35.6 | Very low | 36.6 | Very low | 234 Ų | 234 | 135.7 Ų | 135.7 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 48.7 | -171.8 | -151.1 | 178.6 | -171.3 | -173.6 | 2.8 | 113 | L13 | L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.46Å |
| 16 | A | 37.2 | Very low | 37.3 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -6.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S14 | S14-A16 PolarHBondContact O-N 3.48Š|
| 17 | M | 40.1 | Very low | 38 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -119.7 | 3.8 | -171.2 | -67.4 | -74.9 | -90.2 | 0 | 0 | 114.6 | ||
| 18 | S | 31 | Very low | 38.8 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -107.4 | 22.4 | -163.7 | -59.1 | 0 | 0 | 0 | 0 | 116.5 | ||
| 19 | R | 34.8 | Very low | 39.3 | Very low | 240 Ų | 240 | 133.9 Ų | 133.9 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -139 | 22.8 | -179.6 | -118.1 | -176 | 178.2 | -151.3 | -1.2 | 117.3 | V21 | R19-V21 VanDerWaalsContact C-N 3.32Š| ||
| 20 | C | 37.7 | Very low | 39.9 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 51% | 0.507 | 74% | 0.736 | S | S | . | * | trans | -94.2 | 75.6 | 150.6 | -88.2 | 0 | 0 | 0 | 0 | 107.7 | L22 R37 | C20-L22 VanDerWaalsContact C-N 3.26Å; C20-L22 PolarHBondContact O-N 2.96Å; C20-R37 PolarHBondContact SG-NH2 2.63Å | ||
| 21 | V | 39.1 | Very low | 41 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | -67.8 | 101.7 | 156.2 | 176.5 | 0 | 0 | 0 | 0 | 104.2 | R19 E23 | R19-V21 VanDerWaalsContact C-N 3.32Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.32Å | ||
| 22 | L | 49.8 | Very low | 40.7 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 51% | 0.508 | 73% | 0.729 | S | S | . | * | trans | -66.3 | 98.3 | 170.3 | -68.6 | 145.4 | 0 | 0 | 0 | 106.1 | C20 L115 | C20-L22 VanDerWaalsContact C-N 3.26Å; C20-L22 PolarHBondContact O-N 2.96Å; L22-L115 WeakPolarHBondContact CD1-O 3.07Å | ||
| 23 | E | 42.7 | Very low | 41.1 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132.4 | 167.3 | -73.9 | -172.4 | 154.4 | 0 | 0 | 108.5 | V21 | V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.32Å |
| 24 | P | 44.4 | Very low | 41.8 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137.4 | -179.9 | 24.8 | -31.7 | 0 | 0 | 0 | 110.7 | P26 | P24-P26 WeakPolarHBondContact O-CD 3.49Š|
| 25 | R | 51.3 | Low | 42.8 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 36% | 0.355 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 124.3 | 179.5 | -173.5 | 178.3 | -176.8 | 137.1 | 0.4 | 110.9 | K29 W31 E122 | R25-K29 PolarHBondContact NH2-O 3.16Å; R25-W31 HydrophobicContact CG-CZ2 4.32Å; R25-E122 IonicContact NH1-OE2 3.78Å |
| 26 | P | 45 | Very low | 43.9 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 51% | 0.506 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 139.6 | 170.3 | 26 | -30.7 | 0 | 0 | 0 | 110.4 | P24 | P24-P26 WeakPolarHBondContact O-CD 3.49Š|
| 27 | P | 46.3 | Very low | 45.8 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 87% | 0.87 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 136.8 | -177.6 | 23 | -31 | 0 | 0 | 0 | 111.8 | ||
| 28 | G | 48 | Very low | 48.2 | Very low | 85 Ų | 85 | 118 Ų | 118 | 88% | 0.876 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.1 | 8.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 29 | K | 42.6 | Very low | 51.2 | Low | 161 Ų | 161 | 113.2 Ų | 113.2 | 70% | 0.7 | 57% | 0.572 | S | S | * | * | trans | -118.2 | 134.1 | 174.6 | -55.3 | -154.5 | -179.2 | -168.6 | 0 | 113 | R25 | R25-K29 PolarHBondContact NH2-O 3.16Š| ||
| 30 | R | 43.4 | Very low | 54.2 | Low | 236 Ų | 236 | 102.7 Ų | 102.7 | 89% | 0.891 | 53% | 0.534 | S | S | * | . | trans | -88.3 | 119.8 | 167.2 | -170 | 167.4 | 177.6 | 171.7 | -1.6 | 106.4 | M32 | R30-M32 PolarHBondContact O-N 2.9Š| ||
| 31 | W | 51.4 | Low | 57 | Low | 109 Ų | 109 | 99.1 Ų | 99.1 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | trans | -52.4 | 132.5 | -172.8 | -64.4 | 96.8 | 0 | 0 | 0 | 112.1 | R25 | R25-W31 HydrophobicContact CG-CZ2 4.32Š| ||
| 32 | M | 35 | Very low | 59.8 | Low | 170 Ų | 170 | 93.3 Ų | 93.3 | 84% | 0.837 | 48% | 0.475 | S | S | * | . | trans | -105.4 | 100.5 | 158.3 | -78.1 | 172.5 | 58.6 | 0 | 0 | 106.2 | R30 | R30-M32 PolarHBondContact O-N 2.9Š| ||
| 33 | F | 38.3 | Very low | 62.1 | Low | 157 Ų | 157 | 89.9 Ų | 89.9 | 69% | 0.689 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 67 | 157.3 | 175 | -60.4 | -88.3 | 0 | 0 | 0 | 118.5 | ||
| 34 | P | 50.7 | Low | 64.6 | Low | 59 Ų | 59 | 81.9 Ų | 81.9 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | S | Bend | cis | -99.9 | 15.7 | -46.1 | 16.6 | 6.7 | 0 | 0 | 0 | 112.2 | C36 D90 | P34-C36 PolarHBondContact O-N 2.64Å; P34-D90 HydrophobicContact CB-CB 3.79Å; P34-D90 WeakPolarHBondContact CB-O 3.3Å |
| 35 | W | 54.5 | Low | 67.1 | Low | 166 Ų | 166 | 77.2 Ų | 77.2 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | trans | -91.6 | 9.2 | -164.9 | -56.1 | 97.6 | 0 | 0 | 0 | 116.7 | R37 | W35-R37 PolarHBondContact O-N 2.96Å; W35-R37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | C | 58.9 | Low | 69.1 | Low | 53 Ų | 53 | 75.3 Ų | 75.3 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | trans | -65.5 | 119.7 | 175.6 | -84.6 | 0 | 0 | 0 | 0 | 109.3 | P34 P38 A91 | P34-C36 PolarHBondContact O-N 2.64Å; C36-P38 VanDerWaalsContact O-CD 3.25Å; C36-P38 WeakPolarHBondContact O-CD 3.46Å; C36-A91 WeakPolarHBondContact O-CB 3.41Å | ||
| 37 | R | 77.8 | Confident | 71.5 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 10% | 0.098 | 40% | 0.4 | C | S | . | . | trans | -112.4 | 79 | 176.2 | -63.8 | -165.2 | -172.6 | -167 | 1 | 110.8 | C20 W35 Q39 Q92 V94 L118 | C20-R37 PolarHBondContact SG-NH2 2.63Å; W35-R37 PolarHBondContact O-N 2.96Å; W35-R37 VanDerWaalsContact O-N 3.16Å; R37-Q39 PolarHBondContact O-N 3.15Å; R37-Q92 WeakPolarHBondContact CA-O 3.49Å; R37-Q92 VanDerWaalsContact CB-O 3.27Å; R37-Q92 WeakPolarHBondContact CB-O 3.44Å; R37-Q92 HydrophobicContact CG-CB 4.11Å; R37-Q92 WeakPolarHBondContact CG-O 3.3Å; R37-Q92 VanDerWaalsContact NH1-OE1 3.08Å; R37-V94 HydrophobicContact CB-CG2 4.19Å; R37-L118 HydrophobicContact CB-CD2 4.13Å; R37-L118 WeakPolarHBondContact O-CD1 3.37Å; R37-L118 WeakPolarHBondContact O-CD2 3.49Å | ||
| 38 | P | 89.3 | Confident | 73.8 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | trans | -56 | 142.3 | 175.8 | 24.7 | -32.4 | 0 | 0 | 0 | 109.6 | C36 L88 L93 V94 E122 Y124 | C36-P38 VanDerWaalsContact O-CD 3.25Å; C36-P38 WeakPolarHBondContact O-CD 3.46Å; P38-L88 HydrophobicContact CG-CD2 4.12Å; P38-L93 HydrophobicContact CB-CD1 4.25Å; P38-L93 HydrophobicContact CG-CD1 3.91Å; P38-L93 WeakPolarHBondContact O-CD1 3.28Å; P38-V94 PolarHBondContact O-N 3.36Å; P38-E122 CarbonylContact C-O 3.53Å; P38-E122 VanDerWaalsContact CA-O 3.29Å; P38-E122 WeakPolarHBondContact CA-O 3.47Å; P38-Y124 HydrophobicContact CB-CD2 4.37Å; P38-Y124 HydrophobicContact CB-CE2 4.02Å | ||
| 39 | Q | 93.9 | Very high | 75.9 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132 | 174.4 | 167.5 | 175.4 | 79.2 | 0 | 0 | 109.2 | R37 V94 L96 L118 E122 V123 Y124 | R37-Q39 PolarHBondContact O-N 3.15Å; Q39-V94 CarbonylContact C-O 3.59Å; Q39-V94 VanDerWaalsContact CA-O 3.32Å; Q39-V94 WeakPolarHBondContact CA-O 3.49Å; Q39-V94 HydrophobicContact CB-CB 4.32Å; Q39-L96 HydrophobicContact CG-CB 4.48Å; Q39-L96 VanDerWaalsContact NE2-CD1 3.31Å; Q39-L118 HydrophobicContact CB-CD1 3.41Å; Q39-L118 VanDerWaalsContact CB-CD1 3.41Å; Q39-E122 PolarHBondContact N-O 2.83Å; Q39-V123 HydrophobicContact CB-CG2 4.38Å; Q39-V123 HydrophobicContact CG-CG1 4.48Å; Q39-Y124 PolarHBondContact O-N 3.09Å |
| 40 | V | 97.6 | Very high | 78.3 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 12% | 0.121 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.4 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | L60 L63 L93 V94 L95 L96 Y124 V126 | V40-L60 HydrophobicContact CB-CD1 4.49Å; V40-L60 HydrophobicContact CG1-CD1 4.1Å; V40-L60 HydrophobicContact CG1-CD2 3.94Å; V40-L63 HydrophobicContact CG1-CD2 4.32Å; V40-L93 HydrophobicContact CB-CD1 4.48Å; V40-L93 HydrophobicContact CG2-CD1 3.66Å; V40-V94 PolarHBondContact N-O 3.04Å; V40-L95 HydrophobicContact CB-CD2 4.22Å; V40-L96 PolarHBondContact O-N 3.26Å; V40-Y124 CarbonylContact C-O 3.54Å; V40-Y124 WeakPolarHBondContact CA-O 3.45Å; V40-V126 HydrophobicContact CG1-CG2 3.89Å |
| 41 | A | 97.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L43 L96 V109 Y124 L125 V126 | A41-L43 HydrophobicContact CB-CD2 4.49Å; A41-L96 WeakPolarHBondContact CA-O 3.35Å; A41-L96 HydrophobicContact CB-CB 4.25Å; A41-L96 HydrophobicContact CB-CD2 3.93Å; A41-V109 HydrophobicContact CB-CG2 3.79Å; A41-Y124 PolarHBondContact N-O 2.99Å; A41-L125 HydrophobicContact CB-CD2 3.85Å; A41-V126 PolarHBondContact O-N 2.81Å |
| 42 | G | 97.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 106.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G56 M57 L96 P98 | G42-G56 VanDerWaalsContact CA-C 3.47Å; G42-G56 WeakPolarHBondContact CA-O 3.36Å; G42-M57 WeakPolarHBondContact O-CG 3.15Å; G42-L96 PolarHBondContact N-O 3.32Å; G42-P98 VanDerWaalsContact O-CD 3.22Å; G42-P98 WeakPolarHBondContact O-CD 3.2Å |
| 43 | L | 97.4 | Very high | 85.5 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | trans | -73.4 | 147.7 | 179 | -53.3 | -165.5 | 0 | 0 | 0 | 110.4 | A41 G56 M57 M102 N105 V109 L125 V126 H127 | A41-L43 HydrophobicContact CB-CD2 4.49Å; L43-G56 CarbonylContact O-C 3.58Å; L43-G56 VanDerWaalsContact O-CA 3.29Å; L43-G56 WeakPolarHBondContact O-CA 3.25Å; L43-G56 PolarHBondContact O-N 3.03Å; L43-M57 PolarHBondContact O-N 3.28Å; L43-M57 VanDerWaalsContact O-N 3.15Å; L43-M102 HydrophobicContact CB-CE 3.96Å; L43-M102 HydrophobicContact CB-SD 3.77Å; L43-N105 HydrophobicContact CD2-CB 4.06Å; L43-V109 HydrophobicContact CD2-CG2 4.24Å; L43-L125 HydrophobicContact CD2-CD2 4.43Å; L43-V126 PolarHBondContact N-O 3.43Å; L43-H127 HydrophobicContact CB-CB 4.06Å; L43-H127 HydrophobicContact CD1-CB 3.97Å; L43-H127 HydrophobicContact CG-CB 4.2Å | ||
| 44 | G | 96.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | 170.1 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H53 M57 N105 | G44-H53 VanDerWaalsContact CA-O 3.27Å; G44-H53 WeakPolarHBondContact CA-O 3.48Å; G44-M57 VanDerWaalsContact C-CE 3.41Å; G44-M57 WeakPolarHBondContact O-CE 3.5Å; G44-N105 PolarHBondContact N-ND2 3.48Å; G44-N105 VanDerWaalsContact N-ND2 3.14Å; G44-N105 PolarHBondContact O-ND2 3.21Å | ||
| 45 | N | 96.9 | Very high | 90.4 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -108.1 | 120.8 | 173.4 | -76.6 | -50.6 | 0 | 0 | 0 | 110.1 | G47 L48 S54 L101 M102 | N45-G47 PolarHBondContact O-N 2.84Å; N45-L48 HydrophobicContact CB-CB 3.92Å; N45-L48 HydrophobicContact CB-CD1 3.82Å; N45-L48 HydrophobicContact CB-CG 4.2Å; N45-L48 PolarHBondContact O-N 2.82Å; N45-L48 VanDerWaalsContact O-N 3.16Å; N45-S54 PolarHBondContact N-OG 2.95Å; N45-S54 VanDerWaalsContact N-OG 3.16Å; N45-S54 PolarHBondContact O-OG 3.18Å; N45-L101 WeakPolarHBondContact OD1-CA 3.14Å; N45-M102 WeakPolarHBondContact OD1-CB 3.38Å; N45-M102 PolarHBondContact OD1-N 2.76Å | ||
| 46 | P | 93.1 | Very high | 92.4 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 135.8 | 169.9 | -21.8 | 31.5 | 0 | 0 | 0 | 110.6 | L48 M57 R99 R100 | P46-L48 PolarHBondContact O-N 3.38Å; P46-M57 HydrophobicContact CG-CE 4.35Å; P46-R99 VanDerWaalsContact CG-C 3.47Å; P46-R100 WeakPolarHBondContact CD-O 3.22Å; P46-R100 WeakPolarHBondContact CG-O 3.44Å |
| 47 | G | 93.8 | Very high | 94.2 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 77% | 0.773 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -1.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N45 P49 | N45-G47 PolarHBondContact O-N 2.84Å; G47-P49 WeakPolarHBondContact O-CD 3.46Å |
| 48 | L | 95.1 | Very high | 95.1 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | trans | -120.2 | 59.5 | 175 | -60.9 | 177.7 | 0 | 0 | 0 | 112 | N45 P46 T51 S54 | N45-L48 HydrophobicContact CB-CB 3.92Å; N45-L48 HydrophobicContact CB-CD1 3.82Å; N45-L48 HydrophobicContact CB-CG 4.2Å; N45-L48 PolarHBondContact O-N 2.82Å; N45-L48 VanDerWaalsContact O-N 3.16Å; P46-L48 PolarHBondContact O-N 3.38Å; L48-T51 HydrophobicContact CB-CG2 4.19Å; L48-T51 PolarHBondContact O-OG1 3.22Å; L48-T51 VanDerWaalsContact O-OG1 3.09Å; L48-S54 VanDerWaalsContact O-CB 3.22Å; L48-S54 WeakPolarHBondContact O-CB 3.29Å; L48-S54 PolarHBondContact O-OG 2.94Å | ||
| 49 | P | 93.6 | Very high | 95.5 | Very high | 114 Ų | 114 | 49.6 Ų | 49.6 | 74% | 0.74 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 152.6 | 175.6 | 31.4 | -35.7 | 0 | 0 | 0 | 111.1 | G47 T51 | G47-P49 WeakPolarHBondContact O-CD 3.46Å; P49-T51 PolarHBondContact O-N 2.89Å |
| 50 | G | 92.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 90% | 0.897 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -4.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 51 | T | 94.4 | Very high | 95.7 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -79.1 | 153.5 | 170.2 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | L48 P49 H53 S54 | L48-T51 HydrophobicContact CB-CG2 4.19Å; L48-T51 PolarHBondContact O-OG1 3.22Å; L48-T51 VanDerWaalsContact O-OG1 3.09Å; P49-T51 PolarHBondContact O-N 2.89Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.88Å; T51-S54 PolarHBondContact O-N 3.04Å; T51-S54 PolarHBondContact OG1-N 3.06Å; T51-S54 PolarHBondContact OG1-OG 2.79Å |
| 52 | R | 92.1 | Very high | 95.7 | Very high | 194 Ų | 194 | 54 Ų | 54 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -53.6 | -45.8 | 176.2 | -72 | -170.4 | -71.8 | -104.1 | 2.6 | 111.7 | S54 V55 D128 | R52-S54 PolarHBondContact O-N 3.33Å; R52-S54 VanDerWaalsContact O-N 3.15Å; R52-V55 VanDerWaalsContact O-CB 3.29Å; R52-V55 WeakPolarHBondContact O-CB 3.32Å; R52-V55 VanDerWaalsContact O-CG1 3.28Å; R52-V55 WeakPolarHBondContact O-CG1 3.46Å; R52-V55 PolarHBondContact O-N 2.94Å; R52-D128 WeakPolarHBondContact O-CB 2.92Å |
| 53 | H | 93.4 | Very high | 95.7 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 39% | 0.389 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -59.8 | -27.4 | 177.1 | -76.4 | 21 | 0 | 0 | 0 | 113.6 | G44 T51 V55 M102 D128 | G44-H53 VanDerWaalsContact CA-O 3.27Å; G44-H53 WeakPolarHBondContact CA-O 3.48Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.88Å; H53-V55 VanDerWaalsContact C-N 3.33Å; H53-M102 HydrophobicContact CB-CE 3.86Å; H53-M102 WeakPolarHBondContact O-CE 3.32Å; H53-D128 WeakPolarHBondContact CA-OD1 3.48Å; H53-D128 IonicContact CE1-OD2 3.86Å; H53-D128 IonicContact CG-OD2 3.8Å; H53-D128 PolarHBondContact N-OD2 2.81Å; H53-D128 IonicContact ND1-OD1 2.99Å; H53-D128 IonicContact ND1-OD2 3.94Å; H53-D128 PolarHBondContact ND1-OD2 3.49Å |
| 54 | S | 96.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -91.3 | 10.4 | 179.4 | -65 | 0 | 0 | 0 | 0 | 113.8 | N45 L48 T51 R52 G56 M57 A58 | N45-S54 PolarHBondContact N-OG 2.95Å; N45-S54 VanDerWaalsContact N-OG 3.16Å; N45-S54 PolarHBondContact O-OG 3.18Å; L48-S54 VanDerWaalsContact O-CB 3.22Å; L48-S54 WeakPolarHBondContact O-CB 3.29Å; L48-S54 PolarHBondContact O-OG 2.94Å; T51-S54 PolarHBondContact O-N 3.04Å; T51-S54 PolarHBondContact OG1-N 3.06Å; T51-S54 PolarHBondContact OG1-OG 2.79Å; R52-S54 PolarHBondContact O-N 3.33Å; R52-S54 VanDerWaalsContact O-N 3.15Å; S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.43Å; S54-M57 PolarHBondContact O-N 3.09Å; S54-A58 PolarHBondContact O-N 3.41Å |
| 55 | V | 95.9 | Very high | 95.8 | Very high | 60 Ų | 60 | 63 Ų | 63 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 179.9 | 73.3 | 0 | 0 | 0 | 0 | 112 | R52 H53 M57 A58 V59 D128 | R52-V55 VanDerWaalsContact O-CB 3.29Å; R52-V55 WeakPolarHBondContact O-CB 3.32Å; R52-V55 VanDerWaalsContact O-CG1 3.28Å; R52-V55 WeakPolarHBondContact O-CG1 3.46Å; R52-V55 PolarHBondContact O-N 2.94Å; H53-V55 VanDerWaalsContact C-N 3.33Å; V55-M57 PolarHBondContact O-N 3.12Å; V55-A58 WeakPolarHBondContact O-CB 2.97Å; V55-A58 PolarHBondContact O-N 3.34Å; V55-A58 VanDerWaalsContact O-N 3.09Å; V55-V59 HydrophobicContact CG2-CG2 4.46Å; V55-V59 WeakPolarHBondContact O-CG2 3.43Å; V55-V59 PolarHBondContact O-N 3.17Å; V55-D128 HydrophobicContact CG1-CB 3.7Å |
| 56 | G | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G42 L43 S54 A58 V59 L60 V126 | G42-G56 VanDerWaalsContact CA-C 3.47Å; G42-G56 WeakPolarHBondContact CA-O 3.36Å; L43-G56 CarbonylContact O-C 3.58Å; L43-G56 VanDerWaalsContact O-CA 3.29Å; L43-G56 WeakPolarHBondContact O-CA 3.25Å; L43-G56 PolarHBondContact O-N 3.03Å; S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.43Å; G56-A58 VanDerWaalsContact C-N 3.31Å; G56-A58 PolarHBondContact O-N 2.89Å; G56-V59 PolarHBondContact O-N 3.4Å; G56-L60 WeakPolarHBondContact O-CD2 3.27Å; G56-L60 PolarHBondContact O-N 2.83Å; G56-V126 VanDerWaalsContact CA-O 3.31Å; G56-V126 WeakPolarHBondContact CA-O 3.34Å |
| 57 | M | 97.3 | Very high | 96 | Very high | 30 Ų | 30 | 71.9 Ų | 71.9 | 15% | 0.148 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 174.9 | -69 | -177.7 | 174.8 | 0 | 0 | 112.9 | G42 L43 G44 P46 S54 V55 L60 G61 P98 | G42-M57 WeakPolarHBondContact O-CG 3.15Å; L43-M57 PolarHBondContact O-N 3.28Å; L43-M57 VanDerWaalsContact O-N 3.15Å; G44-M57 VanDerWaalsContact C-CE 3.41Å; G44-M57 WeakPolarHBondContact O-CE 3.5Å; P46-M57 HydrophobicContact CG-CE 4.35Å; S54-M57 PolarHBondContact O-N 3.09Å; V55-M57 PolarHBondContact O-N 3.12Å; M57-L60 PolarHBondContact O-N 3.41Å; M57-G61 PolarHBondContact O-N 3.31Å; M57-P98 WeakPolarHBondContact CE-O 3.38Å |
| 58 | A | 96.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 49% | 0.488 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S54 V55 G56 G61 Q62 | S54-A58 PolarHBondContact O-N 3.41Å; V55-A58 WeakPolarHBondContact O-CB 2.97Å; V55-A58 PolarHBondContact O-N 3.34Å; V55-A58 VanDerWaalsContact O-N 3.09Å; G56-A58 VanDerWaalsContact C-N 3.31Å; G56-A58 PolarHBondContact O-N 2.89Å; A58-G61 PolarHBondContact O-N 3.15Å; A58-Q62 PolarHBondContact O-N 2.87Å; A58-Q62 VanDerWaalsContact O-N 3.07Å |
| 59 | V | 97.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | V55 G56 G61 Q62 L63 V126 | V55-V59 HydrophobicContact CG2-CG2 4.46Å; V55-V59 WeakPolarHBondContact O-CG2 3.43Å; V55-V59 PolarHBondContact O-N 3.17Å; G56-V59 PolarHBondContact O-N 3.4Å; V59-G61 VanDerWaalsContact C-N 3.29Å; V59-G61 PolarHBondContact O-N 2.85Å; V59-Q62 PolarHBondContact O-N 2.95Å; V59-Q62 VanDerWaalsContact O-N 3.13Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 PolarHBondContact O-N 3.04Å; V59-V126 HydrophobicContact CB-CG1 3.94Å; V59-V126 HydrophobicContact CG1-CG1 3.91Å; V59-V126 HydrophobicContact CG2-CG1 4.16Å |
| 60 | L | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 176.5 | -95.2 | -69.8 | 0 | 0 | 0 | 112.6 | V40 G56 M57 L63 A64 W73 L95 R97 V126 | V40-L60 HydrophobicContact CB-CD1 4.49Å; V40-L60 HydrophobicContact CG1-CD1 4.1Å; V40-L60 HydrophobicContact CG1-CD2 3.94Å; G56-L60 WeakPolarHBondContact O-CD2 3.27Å; G56-L60 PolarHBondContact O-N 2.83Å; M57-L60 PolarHBondContact O-N 3.41Å; L60-L63 HydrophobicContact CD1-CD2 4.5Å; L60-L63 PolarHBondContact O-N 2.98Å; L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 2.82Å; L60-W73 HydrophobicContact CB-CH2 4.48Å; L60-W73 HydrophobicContact CD1-CH2 4.42Å; L60-L95 HydrophobicContact CD1-CB 3.86Å; L60-L95 HydrophobicContact CD1-CD2 3.71Å; L60-L95 HydrophobicContact CD1-CG 4.23Å; L60-R97 HydrophobicContact CB-CG 4.24Å; L60-V126 HydrophobicContact CD2-CB 4.13Å; L60-V126 HydrophobicContact CD2-CG2 3.93Å |
| 61 | G | 97.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 19% | 0.186 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | M57 A58 V59 R65 | M57-G61 PolarHBondContact O-N 3.31Å; A58-G61 PolarHBondContact O-N 3.15Å; V59-G61 VanDerWaalsContact C-N 3.29Å; V59-G61 PolarHBondContact O-N 2.85Å; G61-R65 WeakPolarHBondContact O-CG 3.39Å; G61-R65 PolarHBondContact O-N 2.91Å |
| 62 | Q | 98.1 | Very high | 96.8 | Very high | 96 Ų | 96 | 68.4 Ų | 68.4 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 175.7 | -67.5 | -62.2 | -25.7 | 0 | 0 | 112.4 | A58 V59 R65 R66 | A58-Q62 PolarHBondContact O-N 2.87Å; A58-Q62 VanDerWaalsContact O-N 3.07Å; V59-Q62 PolarHBondContact O-N 2.95Å; V59-Q62 VanDerWaalsContact O-N 3.13Å; Q62-R65 PolarHBondContact O-N 3.14Å; Q62-R66 WeakPolarHBondContact O-CG 3.1Å; Q62-R66 PolarHBondContact O-N 3.31Å |
| 63 | L | 97.6 | Very high | 97 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.8 | -177.9 | 58.2 | 0 | 0 | 0 | 111.1 | V40 V59 L60 R65 R66 L67 L95 | V40-L63 HydrophobicContact CG1-CD2 4.32Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 PolarHBondContact O-N 3.04Å; L60-L63 HydrophobicContact CD1-CD2 4.5Å; L60-L63 PolarHBondContact O-N 2.98Å; L63-R65 VanDerWaalsContact C-N 3.29Å; L63-R65 PolarHBondContact O-N 3.49Å; L63-R66 PolarHBondContact O-N 2.9Å; L63-L67 HydrophobicContact CD1-CD1 3.8Å; L63-L67 HydrophobicContact CD1-CG 4.1Å; L63-L67 HydrophobicContact CG-CD1 3.79Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 2.81Å; L63-L95 HydrophobicContact CD2-CD2 3.8Å; L63-L95 HydrophobicContact CG-CD2 4.32Å |
| 64 | A | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L60 L67 G68 V69 A70 W73 L95 | L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 2.82Å; A64-L67 PolarHBondContact O-N 2.83Å; A64-G68 PolarHBondContact O-N 3.02Å; A64-G68 VanDerWaalsContact O-N 3.15Å; A64-V69 HydrophobicContact CB-CG2 4.12Å; A64-V69 PolarHBondContact O-N 3.13Å; A64-A70 PolarHBondContact O-N 3.27Å; A64-W73 HydrophobicContact CB-CZ2 3.82Å; A64-L95 HydrophobicContact CB-CD1 3.77Å |
| 65 | R | 98 | Very high | 97.3 | Very high | 160 Ų | 160 | 69 Ų | 69 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.8 | -47 | 174.3 | -71 | 173.5 | -173.6 | 178.1 | 1.2 | 112.1 | G61 Q62 L63 L67 G68 A70 | G61-R65 WeakPolarHBondContact O-CG 3.39Å; G61-R65 PolarHBondContact O-N 2.91Å; Q62-R65 PolarHBondContact O-N 3.14Å; L63-R65 VanDerWaalsContact C-N 3.29Å; L63-R65 PolarHBondContact O-N 3.49Å; R65-L67 PolarHBondContact O-N 3.27Å; R65-G68 PolarHBondContact O-N 3.41Å; R65-G68 VanDerWaalsContact O-N 3.09Å; R65-A70 HydrophobicContact CB-CB 4.38Å; R65-A70 HydrophobicContact CG-CB 3.64Å |
| 66 | R | 97.4 | Very high | 97.4 | Very high | 212 Ų | 212 | 68 Ų | 68 | 80% | 0.8 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.1 | -31.9 | 178.4 | -70.3 | -179.7 | -178 | -171.3 | 0.1 | 112.6 | Q62 L63 G68 | Q62-R66 WeakPolarHBondContact O-CG 3.1Å; Q62-R66 PolarHBondContact O-N 3.31Å; L63-R66 PolarHBondContact O-N 2.9Å; R66-G68 VanDerWaalsContact C-N 3.32Å |
| 67 | L | 96.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 77.8 Ų | 77.8 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0.8 | 177.2 | -64.9 | 173.1 | 0 | 0 | 0 | 113.6 | L63 A64 R65 V69 A86 L93 L95 | L63-L67 HydrophobicContact CD1-CD1 3.8Å; L63-L67 HydrophobicContact CD1-CG 4.1Å; L63-L67 HydrophobicContact CG-CD1 3.79Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 2.81Å; A64-L67 PolarHBondContact O-N 2.83Å; R65-L67 PolarHBondContact O-N 3.27Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 HydrophobicContact CB-CG2 4.15Å; L67-V69 PolarHBondContact O-N 3.07Å; L67-A86 HydrophobicContact CB-CB 3.97Å; L67-A86 HydrophobicContact CD1-CB 3.72Å; L67-A86 HydrophobicContact CG-CB 4.36Å; L67-L93 HydrophobicContact CD1-CD2 3.66Å; L67-L95 HydrophobicContact CD1-CD1 4.35Å |
| 68 | G | 97.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 81.2 Ų | 81.2 | 67% | 0.67 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 18.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A64 R65 R66 | A64-G68 PolarHBondContact O-N 3.02Å; A64-G68 VanDerWaalsContact O-N 3.15Å; R65-G68 PolarHBondContact O-N 3.41Å; R65-G68 VanDerWaalsContact O-N 3.09Å; R66-G68 VanDerWaalsContact C-N 3.32Å |
| 69 | V | 97.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 78.5 Ų | 78.5 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | trans | -119.2 | 20.4 | -175.7 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | A64 L67 E71 S72 A84 L85 A86 L95 | A64-V69 HydrophobicContact CB-CG2 4.12Å; A64-V69 PolarHBondContact O-N 3.13Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 HydrophobicContact CB-CG2 4.15Å; L67-V69 PolarHBondContact O-N 3.07Å; V69-E71 PolarHBondContact O-N 3.37Å; V69-S72 WeakPolarHBondContact O-CB 3.37Å; V69-S72 PolarHBondContact O-N 3Å; V69-A84 HydrophobicContact CG2-CB 4.39Å; V69-L85 WeakPolarHBondContact CG1-O 3.37Å; V69-A86 HydrophobicContact CG1-CB 4.14Å; V69-A86 HydrophobicContact CG2-CB 3.96Å; V69-L95 HydrophobicContact CG2-CD1 4.06Å | ||
| 70 | A | 97 | Very high | 97.3 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 24% | 0.24 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | A64 R65 | A64-A70 PolarHBondContact O-N 3.27Å; R65-A70 HydrophobicContact CB-CB 4.38Å; R65-A70 HydrophobicContact CG-CB 3.64Å |
| 71 | E | 97.6 | Very high | 97.3 | Very high | 184 Ų | 184 | 76.5 Ų | 76.5 | 86% | 0.86 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.2 | 178.1 | -56.3 | -51.2 | 131.6 | 0 | 0 | 112.7 | V69 | V69-E71 PolarHBondContact O-N 3.37Š|
| 72 | S | 96.2 | Very high | 97.4 | Very high | 59 Ų | 59 | 77.2 Ų | 77.2 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | trans | -95.5 | 7.9 | -172.9 | -49.3 | 0 | 0 | 0 | 0 | 113.7 | V69 T74 | V69-S72 WeakPolarHBondContact O-CB 3.37Å; V69-S72 PolarHBondContact O-N 3Å; S72-T74 PolarHBondContact O-N 3.3Å | ||
| 73 | W | 97.7 | Very high | 97.4 | Very high | 47 Ų | 47 | 73.5 Ų | 73.5 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | trans | -65.7 | 121.7 | 178.5 | -69 | 100.4 | 0 | 0 | 0 | 111.2 | L60 A64 D82 L83 A84 L95 R97 | L60-W73 HydrophobicContact CB-CH2 4.48Å; L60-W73 HydrophobicContact CD1-CH2 4.42Å; A64-W73 HydrophobicContact CB-CZ2 3.82Å; W73-D82 HydrophobicContact CE3-CB 3.98Å; W73-D82 VanDerWaalsContact CZ3-O 3.31Å; W73-D82 WeakPolarHBondContact CZ3-O 3.37Å; W73-L83 CarbonylContact C-O 3.58Å; W73-L83 WeakPolarHBondContact CA-O 3.46Å; W73-A84 HydrophobicContact CD2-CB 3.78Å; W73-A84 HydrophobicContact CE3-CB 3.85Å; W73-A84 HydrophobicContact CG-CB 4.26Å; W73-A84 HydrophobicContact CH2-CB 4.44Å; W73-A84 HydrophobicContact CZ2-CB 4.41Å; W73-A84 HydrophobicContact CZ3-CB 4.18Å; W73-L95 HydrophobicContact CH2-CB 3.67Å; W73-L95 HydrophobicContact CZ2-CB 4.36Å; W73-L95 HydrophobicContact CZ2-CD1 4.47Å; W73-L95 HydrophobicContact CZ3-CB 4.14Å; W73-R97 HydrophobicContact CH2-CG 3.61Å; W73-R97 HydrophobicContact CZ2-CG 4.34Å; W73-R97 HydrophobicContact CZ3-CB 4.19Å; W73-R97 HydrophobicContact CZ3-CG 3.77Å | ||
| 74 | T | 97.7 | Very high | 97.4 | Very high | 77 Ų | 77 | 71.1 Ų | 71.1 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.6 | 176.6 | -58 | 0 | 0 | 0 | 0 | 109.7 | S72 D76 D82 L83 | S72-T74 PolarHBondContact O-N 3.3Å; T74-D76 PolarHBondContact O-N 3.23Å; T74-D82 WeakPolarHBondContact O-CA 2.98Å; T74-L83 PolarHBondContact N-O 2.9Å; T74-L83 PolarHBondContact O-N 3.44Å |
| 75 | R | 97.8 | Very high | 97.2 | Very high | 170 Ų | 170 | 74.5 Ų | 74.5 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123 | 174.4 | -176.7 | -174.1 | -177.2 | -179.5 | -1.9 | 109.9 | D82 R99 | R75-D82 WeakPolarHBondContact CA-OD1 3.44Å; R75-R99 VanDerWaalsContact CD-NH1 3.32Å |
| 76 | D | 97.3 | Very high | 97 | Very high | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.7 | 170.4 | -174.3 | -79.3 | 0 | 0 | 0 | 110.7 | T74 H78 C79 A80 A81 L83 | T74-D76 PolarHBondContact O-N 3.23Å; D76-H78 WeakPolarHBondContact OD1-CA 3.39Å; D76-H78 VanDerWaalsContact OD1-CB 3.32Å; D76-H78 WeakPolarHBondContact OD1-CB 3.16Å; D76-H78 PolarHBondContact OD1-N 3.04Å; D76-H78 IonicContact OD2-CD2 3.74Å; D76-C79 PolarHBondContact OD1-N 3.26Å; D76-C79 PolarHBondContact OD1-SG 2.96Å; D76-A80 VanDerWaalsContact O-CA 3.32Å; D76-A80 WeakPolarHBondContact O-CA 3.4Å; D76-A80 PolarHBondContact O-N 2.96Å; D76-A80 VanDerWaalsContact O-N 3.09Å; D76-A81 PolarHBondContact N-O 3.5Å; D76-A81 PolarHBondContact O-N 3.47Å; D76-A81 VanDerWaalsContact O-N 3.13Å; D76-L83 HydrophobicContact CB-CD1 3.68Å; D76-L83 HydrophobicContact CB-CG 4.11Å |
| 77 | R | 96.7 | Very high | 96.7 | Very high | 204 Ų | 204 | 61.3 Ų | 61.3 | 77% | 0.77 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.4 | -178.8 | 64.9 | 179.9 | 178.2 | -179.8 | -1.7 | 113.4 | ||
| 78 | H | 95.7 | Very high | 96.3 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -39.6 | -175 | -63.3 | -77.7 | 0 | 0 | 0 | 110.8 | D76 R111 L115 | D76-H78 WeakPolarHBondContact OD1-CA 3.39Å; D76-H78 VanDerWaalsContact OD1-CB 3.32Å; D76-H78 WeakPolarHBondContact OD1-CB 3.16Å; D76-H78 PolarHBondContact OD1-N 3.04Å; D76-H78 IonicContact OD2-CD2 3.74Å; H78-R111 WeakPolarHBondContact O-CG 3.42Å; H78-L115 HydrophobicContact CB-CD1 3.83Å; H78-L115 HydrophobicContact CB-CD2 4.45Å |
| 79 | C | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -1.4 | 172.1 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | D76 A81 S108 R111 A112 L115 | D76-C79 PolarHBondContact OD1-N 3.26Å; D76-C79 PolarHBondContact OD1-SG 2.96Å; C79-A81 VanDerWaalsContact C-N 3.33Å; C79-A81 PolarHBondContact O-N 2.97Å; C79-S108 WeakPolarHBondContact O-CA 3.47Å; C79-S108 WeakPolarHBondContact O-CB 3.45Å; C79-S108 PolarHBondContact O-OG 3.43Å; C79-R111 HydrophobicContact CB-CB 4.12Å; C79-R111 HydrophobicContact CB-CG 4.1Å; C79-A112 HydrophobicContact CB-CB 3.87Å; C79-L115 HydrophobicContact CB-CD1 4.01Å |
| 80 | A | 98 | Very high | 94.9 | Very high | 22 Ų | 22 | 69 Ų | 69 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 51.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D76 R99 R100 S108 | D76-A80 VanDerWaalsContact O-CA 3.32Å; D76-A80 WeakPolarHBondContact O-CA 3.4Å; D76-A80 PolarHBondContact O-N 2.96Å; D76-A80 VanDerWaalsContact O-N 3.09Å; A80-R99 WeakPolarHBondContact O-CA 3.19Å; A80-R99 WeakPolarHBondContact O-CB 3.18Å; A80-R99 PolarHBondContact O-N 3.31Å; A80-R100 HydrophobicContact CB-CG 4.44Å; A80-S108 PolarHBondContact O-OG 3.13Å |
| 81 | A | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | D76 C79 L83 L96 R97 | D76-A81 PolarHBondContact N-O 3.5Å; D76-A81 PolarHBondContact O-N 3.47Å; D76-A81 VanDerWaalsContact O-N 3.13Å; C79-A81 VanDerWaalsContact C-N 3.33Å; C79-A81 PolarHBondContact O-N 2.97Å; A81-L83 HydrophobicContact CB-CD2 4.29Å; A81-L96 HydrophobicContact CB-CD1 4.16Å; A81-L96 HydrophobicContact CB-CD2 4.13Å; A81-L96 HydrophobicContact CB-CG 3.86Å; A81-R97 CarbonylContact C-O 3.57Å; A81-R97 VanDerWaalsContact CA-O 3.25Å; A81-R97 WeakPolarHBondContact CA-O 3.29Å; A81-R97 VanDerWaalsContact CB-O 3.32Å; A81-R97 WeakPolarHBondContact CB-O 3.41Å |
| 82 | D | 98.3 | Very high | 94 | Very high | 34 Ų | 34 | 63.4 Ų | 63.4 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.1 | 160.3 | -58.4 | -47.2 | 0 | 0 | 0 | 108 | W73 T74 R75 R97 R99 | W73-D82 HydrophobicContact CE3-CB 3.98Å; W73-D82 VanDerWaalsContact CZ3-O 3.31Å; W73-D82 WeakPolarHBondContact CZ3-O 3.37Å; T74-D82 WeakPolarHBondContact O-CA 2.98Å; R75-D82 WeakPolarHBondContact CA-OD1 3.44Å; D82-R97 PolarHBondContact N-O 2.9Å; D82-R97 PolarHBondContact O-N 3.11Å; D82-R99 WeakPolarHBondContact OD1-CD 3.42Å; D82-R99 IonicContact OD1-CZ 3.92Å; D82-R99 IonicContact OD1-NH1 3.97Å; D82-R99 PolarHBondContact OD1-NH1 3.09Å; D82-R99 IonicContact OD2-NH1 2.73Å |
| 83 | L | 98.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 61.2 Ų | 61.2 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.9 | -176.9 | -59.3 | 179.1 | 0 | 0 | 0 | 110.8 | W73 T74 D76 A81 V94 L95 L96 F116 | W73-L83 CarbonylContact C-O 3.58Å; W73-L83 WeakPolarHBondContact CA-O 3.46Å; T74-L83 PolarHBondContact N-O 2.9Å; T74-L83 PolarHBondContact O-N 3.44Å; D76-L83 HydrophobicContact CB-CD1 3.68Å; D76-L83 HydrophobicContact CB-CG 4.11Å; A81-L83 HydrophobicContact CB-CD2 4.29Å; L83-V94 HydrophobicContact CD2-CG1 4.37Å; L83-L95 VanDerWaalsContact CA-O 3.3Å; L83-L95 WeakPolarHBondContact CA-O 3.31Å; L83-L96 HydrophobicContact CD2-CB 3.88Å; L83-L96 HydrophobicContact CD2-CD1 3.71Å; L83-L96 HydrophobicContact CD2-CG 3.71Å; L83-F116 HydrophobicContact CD1-CE2 3.93Å; L83-F116 HydrophobicContact CD1-CZ 4.02Å |
| 84 | A | 97.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 142.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V69 W73 L95 | V69-A84 HydrophobicContact CG2-CB 4.39Å; W73-A84 HydrophobicContact CD2-CB 3.78Å; W73-A84 HydrophobicContact CE3-CB 3.85Å; W73-A84 HydrophobicContact CG-CB 4.26Å; W73-A84 HydrophobicContact CH2-CB 4.44Å; W73-A84 HydrophobicContact CZ2-CB 4.41Å; W73-A84 HydrophobicContact CZ3-CB 4.18Å; A84-L95 HydrophobicContact CB-CB 4.26Å; A84-L95 HydrophobicContact CB-CD1 4.46Å; A84-L95 PolarHBondContact N-O 3.06Å; A84-L95 WeakPolarHBondContact O-CB 3.29Å; A84-L95 PolarHBondContact O-N 3.09Å |
| 85 | L | 95.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.1 | 176.4 | -62.2 | -179.8 | 0 | 0 | 0 | 109 | V69 L93 V94 | V69-L85 WeakPolarHBondContact CG1-O 3.37Å; L85-L93 WeakPolarHBondContact CA-O 3.43Å; L85-V94 HydrophobicContact CD2-CB 4.32Å; L85-V94 HydrophobicContact CD2-CG1 4.4Å; L85-V94 HydrophobicContact CD2-CG2 3.77Å |
| 86 | A | 94.2 | Very high | 94 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L67 V69 Q92 L93 | L67-A86 HydrophobicContact CB-CB 3.97Å; L67-A86 HydrophobicContact CD1-CB 3.72Å; L67-A86 HydrophobicContact CG-CB 4.36Å; V69-A86 HydrophobicContact CG1-CB 4.14Å; V69-A86 HydrophobicContact CG2-CB 3.96Å; A86-Q92 CarbonylContact O-C 3.52Å; A86-Q92 WeakPolarHBondContact O-CA 3.29Å; A86-L93 HydrophobicContact CB-CB 4.3Å; A86-L93 PolarHBondContact N-O 3.15Å; A86-L93 PolarHBondContact O-N 2.88Å |
| 87 | P | 90.5 | Very high | 94 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 139.3 | 170.6 | 28.6 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 88 | L | 86.9 | Confident | 94.1 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 45% | 0.445 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 84.5 | 177.3 | -175.6 | 65.6 | 0 | 0 | 0 | 109.5 | P38 D90 A91 L93 | P38-L88 HydrophobicContact CG-CD2 4.12Å; L88-D90 PolarHBondContact O-N 3.38Å; L88-A91 PolarHBondContact N-O 2.73Å; L88-A91 WeakPolarHBondContact O-CA 3.5Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 2.96Å; L88-L93 HydrophobicContact CB-CB 4.3Å; L88-L93 HydrophobicContact CD2-CB 4.44Å |
| 89 | G | 85.7 | Confident | 94.1 | Very high | 77 Ų | 77 | 39 Ų | 39 | 79% | 0.794 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -126.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A91 | G89-A91 VanDerWaalsContact C-N 3.26Å; G89-A91 PolarHBondContact O-N 3.21Å |
| 90 | D | 80.6 | Confident | 94.1 | Very high | 130 Ų | 130 | 44 Ų | 44 | 70% | 0.695 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.8 | 175.5 | -57.3 | -39.2 | 0 | 0 | 0 | 113.5 | P34 L88 | P34-D90 HydrophobicContact CB-CB 3.79Å; P34-D90 WeakPolarHBondContact CB-O 3.3Å; L88-D90 PolarHBondContact O-N 3.38Å |
| 91 | A | 85.4 | Confident | 94 | Very high | 23 Ų | 23 | 48 Ų | 48 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C36 L88 G89 | C36-A91 WeakPolarHBondContact O-CB 3.41Å; L88-A91 PolarHBondContact N-O 2.73Å; L88-A91 WeakPolarHBondContact O-CA 3.5Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 2.96Å; G89-A91 VanDerWaalsContact C-N 3.26Å; G89-A91 PolarHBondContact O-N 3.21Å |
| 92 | Q | 90 | Very high | 93.8 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.1 | 169.7 | -78 | -162.4 | -30 | 0 | 0 | 111.4 | R37 A86 | R37-Q92 WeakPolarHBondContact CA-O 3.49Å; R37-Q92 VanDerWaalsContact CB-O 3.27Å; R37-Q92 WeakPolarHBondContact CB-O 3.44Å; R37-Q92 HydrophobicContact CG-CB 4.11Å; R37-Q92 WeakPolarHBondContact CG-O 3.3Å; R37-Q92 VanDerWaalsContact NH1-OE1 3.08Å; A86-Q92 CarbonylContact O-C 3.52Å; A86-Q92 WeakPolarHBondContact O-CA 3.29Å |
| 93 | L | 95.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.1 | 173.3 | -178.7 | 67.5 | 0 | 0 | 0 | 110.5 | P38 V40 L67 L85 A86 L88 L95 | P38-L93 HydrophobicContact CB-CD1 4.25Å; P38-L93 HydrophobicContact CG-CD1 3.91Å; P38-L93 WeakPolarHBondContact O-CD1 3.28Å; V40-L93 HydrophobicContact CB-CD1 4.48Å; V40-L93 HydrophobicContact CG2-CD1 3.66Å; L67-L93 HydrophobicContact CD1-CD2 3.66Å; L85-L93 WeakPolarHBondContact CA-O 3.43Å; A86-L93 HydrophobicContact CB-CB 4.3Å; A86-L93 PolarHBondContact N-O 3.15Å; A86-L93 PolarHBondContact O-N 2.88Å; L88-L93 HydrophobicContact CB-CB 4.3Å; L88-L93 HydrophobicContact CD2-CB 4.44Å; L93-L95 HydrophobicContact CD2-CD2 3.63Å; L93-L95 HydrophobicContact CG-CD2 3.86Å |
| 94 | V | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 110.9 | 172.4 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | R37 P38 Q39 V40 L83 L85 F116 | R37-V94 HydrophobicContact CB-CG2 4.19Å; P38-V94 PolarHBondContact O-N 3.36Å; Q39-V94 CarbonylContact C-O 3.59Å; Q39-V94 VanDerWaalsContact CA-O 3.32Å; Q39-V94 WeakPolarHBondContact CA-O 3.49Å; Q39-V94 HydrophobicContact CB-CB 4.32Å; V40-V94 PolarHBondContact N-O 3.04Å; L83-V94 HydrophobicContact CD2-CG1 4.37Å; L85-V94 HydrophobicContact CD2-CB 4.32Å; L85-V94 HydrophobicContact CD2-CG1 4.4Å; L85-V94 HydrophobicContact CD2-CG2 3.77Å; V94-F116 HydrophobicContact CG1-CD2 3.99Å; V94-F116 HydrophobicContact CG1-CE2 3.62Å; V94-F116 HydrophobicContact CG1-CZ 4.06Å; V94-F116 HydrophobicContact CG2-CD1 4.11Å; V94-F116 HydrophobicContact CG2-CD2 4.14Å; V94-F116 HydrophobicContact CG2-CE1 4.19Å; V94-F116 HydrophobicContact CG2-CE2 4.25Å; V94-F116 HydrophobicContact CG2-CG 4.09Å; V94-F116 HydrophobicContact CG2-CZ 4.28Å |
| 95 | L | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.2 | 169.8 | -55.8 | -176.3 | 0 | 0 | 0 | 109.2 | V40 L60 L63 A64 L67 V69 W73 L83 A84 L93 | V40-L95 HydrophobicContact CB-CD2 4.22Å; L60-L95 HydrophobicContact CD1-CB 3.86Å; L60-L95 HydrophobicContact CD1-CD2 3.71Å; L60-L95 HydrophobicContact CD1-CG 4.23Å; L63-L95 HydrophobicContact CD2-CD2 3.8Å; L63-L95 HydrophobicContact CG-CD2 4.32Å; A64-L95 HydrophobicContact CB-CD1 3.77Å; L67-L95 HydrophobicContact CD1-CD1 4.35Å; V69-L95 HydrophobicContact CG2-CD1 4.06Å; W73-L95 HydrophobicContact CH2-CB 3.67Å; W73-L95 HydrophobicContact CZ2-CB 4.36Å; W73-L95 HydrophobicContact CZ2-CD1 4.47Å; W73-L95 HydrophobicContact CZ3-CB 4.14Å; L83-L95 VanDerWaalsContact CA-O 3.3Å; L83-L95 WeakPolarHBondContact CA-O 3.31Å; A84-L95 HydrophobicContact CB-CB 4.26Å; A84-L95 HydrophobicContact CB-CD1 4.46Å; A84-L95 PolarHBondContact N-O 3.06Å; A84-L95 WeakPolarHBondContact O-CB 3.29Å; A84-L95 PolarHBondContact O-N 3.09Å; L93-L95 HydrophobicContact CD2-CD2 3.63Å; L93-L95 HydrophobicContact CG-CD2 3.86Å |
| 96 | L | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.9 | -177.2 | -175.5 | 150.7 | 0 | 0 | 0 | 111.7 | Q39 V40 A41 G42 A81 L83 P98 V109 A112 | Q39-L96 HydrophobicContact CG-CB 4.48Å; Q39-L96 VanDerWaalsContact NE2-CD1 3.31Å; V40-L96 PolarHBondContact O-N 3.26Å; A41-L96 WeakPolarHBondContact CA-O 3.35Å; A41-L96 HydrophobicContact CB-CB 4.25Å; A41-L96 HydrophobicContact CB-CD2 3.93Å; G42-L96 PolarHBondContact N-O 3.32Å; A81-L96 HydrophobicContact CB-CD1 4.16Å; A81-L96 HydrophobicContact CB-CD2 4.13Å; A81-L96 HydrophobicContact CB-CG 3.86Å; L83-L96 HydrophobicContact CD2-CB 3.88Å; L83-L96 HydrophobicContact CD2-CD1 3.71Å; L83-L96 HydrophobicContact CD2-CG 3.71Å; L96-P98 HydrophobicContact CD2-CG 3.69Å; L96-V109 HydrophobicContact CD2-CG2 4.25Å; L96-A112 HydrophobicContact CD1-CB 3.14Å |
| 97 | R | 98.3 | Very high | 93.9 | Very high | 65 Ų | 65 | 63.6 Ų | 63.6 | 25% | 0.245 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 109.6 | 168.6 | -70.4 | -176 | -63.3 | 166.1 | 4.3 | 109.7 | L60 W73 A81 D82 | L60-R97 HydrophobicContact CB-CG 4.24Å; W73-R97 HydrophobicContact CH2-CG 3.61Å; W73-R97 HydrophobicContact CZ2-CG 4.34Å; W73-R97 HydrophobicContact CZ3-CB 4.19Å; W73-R97 HydrophobicContact CZ3-CG 3.77Å; A81-R97 CarbonylContact C-O 3.57Å; A81-R97 VanDerWaalsContact CA-O 3.25Å; A81-R97 WeakPolarHBondContact CA-O 3.29Å; A81-R97 VanDerWaalsContact CB-O 3.32Å; A81-R97 WeakPolarHBondContact CB-O 3.41Å; D82-R97 PolarHBondContact N-O 2.9Å; D82-R97 PolarHBondContact O-N 3.11Å |
| 98 | P | 98 | Very high | 94.3 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 143.6 | 179.2 | -23.2 | 35.7 | 0 | 0 | 0 | 111.6 | G42 M57 L96 R100 N105 | G42-P98 VanDerWaalsContact O-CD 3.22Å; G42-P98 WeakPolarHBondContact O-CD 3.2Å; M57-P98 WeakPolarHBondContact CE-O 3.38Å; L96-P98 HydrophobicContact CD2-CG 3.69Å; P98-R100 VanDerWaalsContact C-N 3.34Å; P98-N105 HydrophobicContact CB-CB 4.11Å; P98-N105 WeakPolarHBondContact CB-OD1 3.33Å; P98-N105 HydrophobicContact CG-CB 3.9Å |
| 99 | R | 97.3 | Very high | 94.8 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -102.4 | 28.6 | 171.8 | -64.1 | -178.4 | 69.1 | 135 | 2 | 112 | P46 R75 A80 D82 | P46-R99 VanDerWaalsContact CG-C 3.47Å; R75-R99 VanDerWaalsContact CD-NH1 3.32Å; A80-R99 WeakPolarHBondContact O-CA 3.19Å; A80-R99 WeakPolarHBondContact O-CB 3.18Å; A80-R99 PolarHBondContact O-N 3.31Å; D82-R99 WeakPolarHBondContact OD1-CD 3.42Å; D82-R99 IonicContact OD1-CZ 3.92Å; D82-R99 IonicContact OD1-NH1 3.97Å; D82-R99 PolarHBondContact OD1-NH1 3.09Å; D82-R99 IonicContact OD2-NH1 2.73Å |
| 100 | R | 95.6 | Very high | 95.4 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 41% | 0.408 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -118.4 | 162.3 | 177.2 | -63.8 | -174.4 | 177.5 | -82.8 | -1 | 109.5 | P46 A80 P98 A104 N105 | P46-R100 WeakPolarHBondContact CD-O 3.22Å; P46-R100 WeakPolarHBondContact CG-O 3.44Å; A80-R100 HydrophobicContact CB-CG 4.44Å; P98-R100 VanDerWaalsContact C-N 3.34Å; R100-A104 HydrophobicContact CB-CB 4.07Å; R100-N105 PolarHBondContact O-OD1 2.89Å |
| 101 | L | 96.5 | Very high | 96.2 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 55% | 0.55 | 27% | 0.266 | S | S | . | . | trans | -63.6 | 154.1 | 169.6 | -63.4 | 178.6 | 0 | 0 | 0 | 110.1 | N45 N103 A104 N105 | N45-L101 WeakPolarHBondContact OD1-CA 3.14Å; L101-N103 WeakPolarHBondContact CB-OD1 3.35Å; L101-N103 PolarHBondContact O-N 3.21Å; L101-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 PolarHBondContact O-OD1 3.26Å; L101-A104 WeakPolarHBondContact O-CA 3.31Å; L101-A104 PolarHBondContact O-N 3.34Å; L101-N105 PolarHBondContact O-N 2.89Å; L101-N105 PolarHBondContact O-OD1 2.8Å | ||
| 102 | M | 93.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 20% | 0.197 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -49.2 | -45.1 | -170.6 | -179.5 | 61.1 | 93.3 | 0 | 0 | 112.8 | L43 N45 H53 A104 N105 | L43-M102 HydrophobicContact CB-CE 3.96Å; L43-M102 HydrophobicContact CB-SD 3.77Å; N45-M102 WeakPolarHBondContact OD1-CB 3.38Å; N45-M102 PolarHBondContact OD1-N 2.76Å; H53-M102 HydrophobicContact CB-CE 3.86Å; H53-M102 WeakPolarHBondContact O-CE 3.32Å; M102-A104 PolarHBondContact O-N 3.41Å; M102-N105 WeakPolarHBondContact O-CB 3.32Å; M102-N105 PolarHBondContact O-N 2.93Å; M102-N105 VanDerWaalsContact O-N 3.13Å; M102-N105 PolarHBondContact SD-ND2 3.4Å; M102-N105 VanDerWaalsContact SD-ND2 3.41Å |
| 103 | N | 96.2 | Very high | 97 | Very high | 148 Ų | 148 | 49.5 Ų | 49.5 | 79% | 0.791 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -60.5 | -17.2 | 179 | 67.4 | -32.5 | 0 | 0 | 0 | 114.3 | L101 | L101-N103 WeakPolarHBondContact CB-OD1 3.35Å; L101-N103 PolarHBondContact O-N 3.21Å; L101-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 PolarHBondContact O-OD1 3.26Å |
| 104 | A | 96.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -115.2 | 4.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R100 L101 M102 G106 R107 | R100-A104 HydrophobicContact CB-CB 4.07Å; L101-A104 WeakPolarHBondContact O-CA 3.31Å; L101-A104 PolarHBondContact O-N 3.34Å; M102-A104 PolarHBondContact O-N 3.41Å; A104-G106 PolarHBondContact O-N 3.22Å; A104-R107 PolarHBondContact O-N 3.38Å |
| 105 | N | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -33.8 | -179.2 | -76.8 | -5.2 | 0 | 0 | 0 | 113 | L43 G44 P98 R100 L101 M102 R107 S108 V109 | L43-N105 HydrophobicContact CD2-CB 4.06Å; G44-N105 PolarHBondContact N-ND2 3.48Å; G44-N105 VanDerWaalsContact N-ND2 3.14Å; G44-N105 PolarHBondContact O-ND2 3.21Å; P98-N105 HydrophobicContact CB-CB 4.11Å; P98-N105 WeakPolarHBondContact CB-OD1 3.33Å; P98-N105 HydrophobicContact CG-CB 3.9Å; R100-N105 PolarHBondContact O-OD1 2.89Å; L101-N105 PolarHBondContact O-N 2.89Å; L101-N105 PolarHBondContact O-OD1 2.8Å; M102-N105 WeakPolarHBondContact O-CB 3.32Å; M102-N105 PolarHBondContact O-N 2.93Å; M102-N105 VanDerWaalsContact O-N 3.13Å; M102-N105 PolarHBondContact SD-ND2 3.4Å; M102-N105 VanDerWaalsContact SD-ND2 3.41Å; N105-R107 PolarHBondContact O-N 3.27Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-S108 WeakPolarHBondContact O-CB 2.87Å; N105-S108 PolarHBondContact O-N 2.84Å; N105-V109 PolarHBondContact O-N 3.34Å |
| 106 | G | 97.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 55% | 0.546 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.2 | -33.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A104 S108 V109 A110 | A104-G106 PolarHBondContact O-N 3.22Å; G106-S108 PolarHBondContact O-N 3Å; G106-V109 PolarHBondContact O-N 2.8Å; G106-A110 VanDerWaalsContact O-CB 3.29Å; G106-A110 WeakPolarHBondContact O-CB 3.46Å; G106-A110 PolarHBondContact O-N 2.83Å |
| 107 | R | 97.7 | Very high | 95.8 | Very high | 188 Ų | 188 | 61 Ų | 61 | 71% | 0.709 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 175.9 | -64.9 | -177.5 | 179.3 | -179 | 0.6 | 112.1 | A104 N105 R111 | A104-R107 PolarHBondContact O-N 3.38Å; N105-R107 PolarHBondContact O-N 3.27Å; N105-R107 VanDerWaalsContact O-N 3.15Å; R107-R111 WeakPolarHBondContact O-CB 3.17Å; R107-R111 PolarHBondContact O-N 3.28Å; R107-R111 VanDerWaalsContact O-N 3.11Å |
| 108 | S | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 177.4 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | C79 A80 N105 G106 A112 | C79-S108 WeakPolarHBondContact O-CA 3.47Å; C79-S108 WeakPolarHBondContact O-CB 3.45Å; C79-S108 PolarHBondContact O-OG 3.43Å; A80-S108 PolarHBondContact O-OG 3.13Å; N105-S108 WeakPolarHBondContact O-CB 2.87Å; N105-S108 PolarHBondContact O-N 2.84Å; G106-S108 PolarHBondContact O-N 3Å; S108-A112 WeakPolarHBondContact O-CB 3.12Å; S108-A112 PolarHBondContact O-N 3.41Å |
| 109 | V | 98.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -55.2 | 176.6 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | A41 L43 L96 N105 G106 R111 A112 A113 V123 L125 | A41-V109 HydrophobicContact CB-CG2 3.79Å; L43-V109 HydrophobicContact CD2-CG2 4.24Å; L96-V109 HydrophobicContact CD2-CG2 4.25Å; N105-V109 PolarHBondContact O-N 3.34Å; G106-V109 PolarHBondContact O-N 2.8Å; V109-R111 VanDerWaalsContact C-N 3.31Å; V109-R111 PolarHBondContact O-N 3.15Å; V109-A112 PolarHBondContact O-N 2.97Å; V109-A112 VanDerWaalsContact O-N 3.09Å; V109-A113 PolarHBondContact O-N 3.41Å; V109-V123 HydrophobicContact CG1-CG1 3.7Å; V109-L125 HydrophobicContact CG1-CD2 4Å; V109-L125 HydrophobicContact CG2-CD2 4.21Å |
| 110 | A | 97.6 | Very high | 95 | Very high | 51 Ų | 51 | 60 Ų | 60 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.6 | -44.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G106 A112 A113 E114 | G106-A110 VanDerWaalsContact O-CB 3.29Å; G106-A110 WeakPolarHBondContact O-CB 3.46Å; G106-A110 PolarHBondContact O-N 2.83Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.06Å; A110-A113 WeakPolarHBondContact O-CB 3.49Å; A110-A113 PolarHBondContact O-N 3.19Å; A110-E114 WeakPolarHBondContact O-CG 3.27Å; A110-E114 PolarHBondContact O-N 3.15Å |
| 111 | R | 97.8 | Very high | 94.9 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65 | -36 | 179.1 | -172.9 | 52.2 | 177.7 | 164.3 | 4.4 | 112.6 | H78 C79 R107 V109 E114 L115 | H78-R111 WeakPolarHBondContact O-CG 3.42Å; C79-R111 HydrophobicContact CB-CB 4.12Å; C79-R111 HydrophobicContact CB-CG 4.1Å; R107-R111 WeakPolarHBondContact O-CB 3.17Å; R107-R111 PolarHBondContact O-N 3.28Å; R107-R111 VanDerWaalsContact O-N 3.11Å; V109-R111 VanDerWaalsContact C-N 3.31Å; V109-R111 PolarHBondContact O-N 3.15Å; R111-E114 VanDerWaalsContact CD-OE2 3.3Å; R111-E114 WeakPolarHBondContact CD-OE2 3.22Å; R111-E114 IonicContact CZ-OE2 3.57Å; R111-E114 IonicContact NE-OE2 3.82Å; R111-E114 IonicContact NH1-OE2 2.84Å; R111-E114 PolarHBondContact NH1-OE2 3.03Å; R111-L115 HydrophobicContact CG-CD1 4.49Å; R111-L115 WeakPolarHBondContact O-CG 3.34Å; R111-L115 PolarHBondContact O-N 2.9Å |
| 112 | A | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C79 L96 S108 V109 A110 E114 L115 F116 | C79-A112 HydrophobicContact CB-CB 3.87Å; L96-A112 HydrophobicContact CD1-CB 3.14Å; S108-A112 WeakPolarHBondContact O-CB 3.12Å; S108-A112 PolarHBondContact O-N 3.41Å; V109-A112 PolarHBondContact O-N 2.97Å; V109-A112 VanDerWaalsContact O-N 3.09Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.06Å; A112-E114 VanDerWaalsContact C-N 3.3Å; A112-E114 PolarHBondContact O-N 3.21Å; A112-L115 PolarHBondContact O-N 3.33Å; A112-L115 VanDerWaalsContact O-N 3.14Å; A112-F116 WeakPolarHBondContact O-CD2 3.22Å; A112-F116 PolarHBondContact O-N 3.04Å |
| 113 | A | 95.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.7 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V109 A110 F116 G117 L118 V123 | V109-A113 PolarHBondContact O-N 3.41Å; A110-A113 WeakPolarHBondContact O-CB 3.49Å; A110-A113 PolarHBondContact O-N 3.19Å; A113-F116 CarbonylContact O-C 3.54Å; A113-F116 PolarHBondContact O-N 3.14Å; A113-G117 PolarHBondContact O-N 2.75Å; A113-L118 HydrophobicContact CB-CB 4.15Å; A113-L118 PolarHBondContact O-N 3.28Å; A113-V123 HydrophobicContact CB-CG2 3.99Å |
| 114 | E | 94 | Very high | 95 | Very high | 124 Ų | 124 | 57 Ų | 57 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.5 | -47.1 | 172.2 | -70.7 | 169.9 | -170.8 | 0 | 0 | 112.4 | A110 R111 A112 F116 G117 | A110-E114 WeakPolarHBondContact O-CG 3.27Å; A110-E114 PolarHBondContact O-N 3.15Å; R111-E114 VanDerWaalsContact CD-OE2 3.3Å; R111-E114 WeakPolarHBondContact CD-OE2 3.22Å; R111-E114 IonicContact CZ-OE2 3.57Å; R111-E114 IonicContact NE-OE2 3.82Å; R111-E114 IonicContact NH1-OE2 2.84Å; R111-E114 PolarHBondContact NH1-OE2 3.03Å; A112-E114 VanDerWaalsContact C-N 3.3Å; A112-E114 PolarHBondContact O-N 3.21Å; E114-F116 PolarHBondContact O-N 3.24Å; E114-G117 PolarHBondContact O-N 2.96Å |
| 115 | L | 91.1 | Very high | 95 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -32.7 | 179.5 | -73.9 | 169.4 | 0 | 0 | 0 | 112.4 | L22 H78 C79 R111 A112 | L22-L115 WeakPolarHBondContact CD1-O 3.07Å; H78-L115 HydrophobicContact CB-CD1 3.83Å; H78-L115 HydrophobicContact CB-CD2 4.45Å; C79-L115 HydrophobicContact CB-CD1 4.01Å; R111-L115 HydrophobicContact CG-CD1 4.49Å; R111-L115 WeakPolarHBondContact O-CG 3.34Å; R111-L115 PolarHBondContact O-N 2.9Å; A112-L115 PolarHBondContact O-N 3.33Å; A112-L115 VanDerWaalsContact O-N 3.14Å |
| 116 | F | 89.6 | Confident | 95 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -99.3 | 2.3 | 179.9 | -68.3 | -70.6 | 0 | 0 | 0 | 113.7 | L83 V94 A112 A113 E114 L118 | L83-F116 HydrophobicContact CD1-CE2 3.93Å; L83-F116 HydrophobicContact CD1-CZ 4.02Å; V94-F116 HydrophobicContact CG1-CD2 3.99Å; V94-F116 HydrophobicContact CG1-CE2 3.62Å; V94-F116 HydrophobicContact CG1-CZ 4.06Å; V94-F116 HydrophobicContact CG2-CD1 4.11Å; V94-F116 HydrophobicContact CG2-CD2 4.14Å; V94-F116 HydrophobicContact CG2-CE1 4.19Å; V94-F116 HydrophobicContact CG2-CE2 4.25Å; V94-F116 HydrophobicContact CG2-CG 4.09Å; V94-F116 HydrophobicContact CG2-CZ 4.28Å; A112-F116 WeakPolarHBondContact O-CD2 3.22Å; A112-F116 PolarHBondContact O-N 3.04Å; A113-F116 CarbonylContact O-C 3.54Å; A113-F116 PolarHBondContact O-N 3.14Å; E114-F116 PolarHBondContact O-N 3.24Å; F116-L118 HydrophobicContact CB-CD1 3.93Å; F116-L118 HydrophobicContact CB-CD2 3.96Å; F116-L118 HydrophobicContact CB-CG 3.67Å; F116-L118 WeakPolarHBondContact O-CD2 3.25Å |
| 117 | G | 89.3 | Confident | 94.9 | Very high | 46 Ų | 46 | 64.1 Ų | 64.1 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 32.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A113 E114 | A113-G117 PolarHBondContact O-N 2.75Å; E114-G117 PolarHBondContact O-N 2.96Å |
| 118 | L | 90.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | trans | -89.7 | 144 | -173 | -50.2 | -176.9 | 0 | 0 | 0 | 112.1 | R37 Q39 A113 F116 E122 V123 | R37-L118 HydrophobicContact CB-CD2 4.13Å; R37-L118 WeakPolarHBondContact O-CD1 3.37Å; R37-L118 WeakPolarHBondContact O-CD2 3.49Å; Q39-L118 HydrophobicContact CB-CD1 3.41Å; Q39-L118 VanDerWaalsContact CB-CD1 3.41Å; A113-L118 HydrophobicContact CB-CB 4.15Å; A113-L118 PolarHBondContact O-N 3.28Å; F116-L118 HydrophobicContact CB-CD1 3.93Å; F116-L118 HydrophobicContact CB-CD2 3.96Å; F116-L118 HydrophobicContact CB-CG 3.67Å; F116-L118 WeakPolarHBondContact O-CD2 3.25Å; L118-E122 WeakPolarHBondContact CA-OE2 3.36Å; L118-E122 HydrophobicContact CB-CB 4.23Å; L118-V123 HydrophobicContact CB-CG2 4.35Å; L118-V123 HydrophobicContact CD1-CG2 4.49Å | ||
| 119 | T | 92.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | trans | -86.2 | 167.6 | 166.1 | 76.2 | 0 | 0 | 0 | 0 | 111 | E121 E122 | T119-E121 WeakPolarHBondContact CB-OE2 3.38Å; T119-E121 PolarHBondContact O-N 3.16Å; T119-E121 PolarHBondContact OG1-OE2 3.4Å; T119-E122 PolarHBondContact N-OE2 2.85Å; T119-E122 WeakPolarHBondContact O-CB 3.32Å; T119-E122 PolarHBondContact O-N 3.23Å; T119-E122 PolarHBondContact OG1-OE2 3.42Å | ||
| 120 | A | 93.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 66% | 0.661 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -60.9 | -33.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E122 V123 | A120-E122 PolarHBondContact O-N 2.76Å; A120-V123 PolarHBondContact O-N 3.13Å; A120-V123 VanDerWaalsContact O-N 3.15Å |
| 121 | E | 94.1 | Very high | 93.8 | Very high | 147 Ų | 147 | 71 Ų | 71 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -69.2 | -14.8 | 177.5 | -55.6 | 77 | -168.7 | 0 | 0 | 113 | T119 | T119-E121 WeakPolarHBondContact CB-OE2 3.38Å; T119-E121 PolarHBondContact O-N 3.16Å; T119-E121 PolarHBondContact OG1-OE2 3.4Å |
| 122 | E | 94 | Very high | 93.4 | Very high | 29 Ų | 29 | 70.3 Ų | 70.3 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -96.7 | -0.1 | 177.5 | -62.1 | 174.4 | 128.9 | 0 | 0 | 111.7 | R25 P38 Q39 L118 T119 A120 | R25-E122 IonicContact NH1-OE2 3.78Å; P38-E122 CarbonylContact C-O 3.53Å; P38-E122 VanDerWaalsContact CA-O 3.29Å; P38-E122 WeakPolarHBondContact CA-O 3.47Å; Q39-E122 PolarHBondContact N-O 2.83Å; L118-E122 WeakPolarHBondContact CA-OE2 3.36Å; L118-E122 HydrophobicContact CB-CB 4.23Å; T119-E122 PolarHBondContact N-OE2 2.85Å; T119-E122 WeakPolarHBondContact O-CB 3.32Å; T119-E122 PolarHBondContact O-N 3.23Å; T119-E122 PolarHBondContact OG1-OE2 3.42Å; A120-E122 PolarHBondContact O-N 2.76Å |
| 123 | V | 96.5 | Very high | 93.2 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 19% | 0.188 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.2 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | Q39 V109 A113 L118 A120 L125 | Q39-V123 HydrophobicContact CB-CG2 4.38Å; Q39-V123 HydrophobicContact CG-CG1 4.48Å; V109-V123 HydrophobicContact CG1-CG1 3.7Å; A113-V123 HydrophobicContact CB-CG2 3.99Å; L118-V123 HydrophobicContact CB-CG2 4.35Å; L118-V123 HydrophobicContact CD1-CG2 4.49Å; A120-V123 PolarHBondContact O-N 3.13Å; A120-V123 VanDerWaalsContact O-N 3.15Å; V123-L125 HydrophobicContact CG1-CD2 4.07Å |
| 124 | Y | 97.6 | Very high | 92.9 | Very high | 133 Ų | 133 | 82.6 Ų | 82.6 | 52% | 0.522 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.3 | 178.6 | -61 | -94.8 | 0 | 0 | 0 | 109.6 | P38 Q39 V40 A41 | P38-Y124 HydrophobicContact CB-CD2 4.37Å; P38-Y124 HydrophobicContact CB-CE2 4.02Å; Q39-Y124 PolarHBondContact O-N 3.09Å; V40-Y124 CarbonylContact C-O 3.54Å; V40-Y124 WeakPolarHBondContact CA-O 3.45Å; A41-Y124 PolarHBondContact N-O 2.99Å |
| 125 | L | 97.7 | Very high | 92.6 | Very high | 93 Ų | 93 | 80 Ų | 80 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.4 | 178.7 | -56.1 | -176.8 | 0 | 0 | 0 | 110.1 | A41 L43 V109 V123 | A41-L125 HydrophobicContact CB-CD2 3.85Å; L43-L125 HydrophobicContact CD2-CD2 4.43Å; V109-L125 HydrophobicContact CG1-CD2 4Å; V109-L125 HydrophobicContact CG2-CD2 4.21Å; V123-L125 HydrophobicContact CG1-CD2 4.07Å |
| 126 | V | 97.6 | Very high | 92.6 | Very high | 38 Ų | 38 | 86.1 Ų | 86.1 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119 | 171.4 | -170.6 | 0 | 0 | 0 | 0 | 108.1 | V40 A41 L43 G56 V59 L60 | V40-V126 HydrophobicContact CG1-CG2 3.89Å; A41-V126 PolarHBondContact O-N 2.81Å; L43-V126 PolarHBondContact N-O 3.43Å; G56-V126 VanDerWaalsContact CA-O 3.31Å; G56-V126 WeakPolarHBondContact CA-O 3.34Å; V59-V126 HydrophobicContact CB-CG1 3.94Å; V59-V126 HydrophobicContact CG1-CG1 3.91Å; V59-V126 HydrophobicContact CG2-CG1 4.16Å; L60-V126 HydrophobicContact CD2-CB 4.13Å; L60-V126 HydrophobicContact CD2-CG2 3.93Å |
| 127 | H | 95.8 | Very high | 92.3 | Very high | 95 Ų | 95 | 94.3 Ų | 94.3 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | trans | -147.9 | 172.3 | -178.5 | 67.3 | 87.4 | 0 | 0 | 0 | 111.3 | L43 | L43-H127 HydrophobicContact CB-CB 4.06Å; L43-H127 HydrophobicContact CD1-CB 3.97Å; L43-H127 HydrophobicContact CG-CB 4.2Å | ||
| 128 | D | 94 | Very high | 92.5 | Very high | 31 Ų | 31 | 96.8 Ų | 96.8 | 17% | 0.166 | 51% | 0.512 | C | S | . | . | trans | -77 | 145.7 | 171.1 | 53.9 | -39.4 | 0 | 0 | 0 | 111.9 | R52 H53 V55 | R52-D128 WeakPolarHBondContact O-CB 2.92Å; H53-D128 WeakPolarHBondContact CA-OD1 3.48Å; H53-D128 IonicContact CE1-OD2 3.86Å; H53-D128 IonicContact CG-OD2 3.8Å; H53-D128 PolarHBondContact N-OD2 2.81Å; H53-D128 IonicContact ND1-OD1 2.99Å; H53-D128 IonicContact ND1-OD2 3.94Å; H53-D128 PolarHBondContact ND1-OD2 3.49Å; V55-D128 HydrophobicContact CG1-CB 3.7Å | ||
| 129 | E | 92.6 | Very high | 92.6 | Very high | 90 Ų | 90 | 100.6 Ų | 100.6 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | trans | -117.5 | 128 | 174.2 | 179.8 | 53.8 | -91 | 0 | 0 | 108.7 | D131 K132 | E129-D131 PolarHBondContact OE1-N 3.13Å; E129-K132 HydrophobicContact CB-CD 4.42Å; E129-K132 HydrophobicContact CG-CB 3.86Å; E129-K132 HydrophobicContact CG-CD 3.78Å; E129-K132 HydrophobicContact CG-CG 3.56Å | ||
| 130 | L | 90 | Very high | 92.6 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -91.7 | -25.4 | -179.6 | -67.1 | 176.9 | 0 | 0 | 0 | 111.8 | K132 | L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.76Å |
| 131 | D | 91.6 | Very high | 92.6 | Very high | 152 Ų | 152 | 104.9 Ų | 104.9 | 81% | 0.813 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -84.9 | -6.8 | -173.4 | -64.8 | -26.5 | 0 | 0 | 0 | 113 | E129 | E129-D131 PolarHBondContact OE1-N 3.13Š|
| 132 | K | 89.3 | Confident | 92.5 | Very high | 91 Ų | 91 | 102.3 Ų | 102.3 | 40% | 0.396 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -101.2 | 141.7 | 179.9 | -71.4 | -176.8 | -172.8 | -166.3 | 0 | 111.9 | E129 L130 R136 L137 | E129-K132 HydrophobicContact CB-CD 4.42Å; E129-K132 HydrophobicContact CG-CB 3.86Å; E129-K132 HydrophobicContact CG-CD 3.78Å; E129-K132 HydrophobicContact CG-CG 3.56Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.76Å; K132-R136 HydrophobicContact CB-CB 4.32Å; K132-L137 PolarHBondContact NZ-O 3.16Å; K132-L137 PolarHBondContact NZ-OXT 3.44Å |
| 133 | P | 91.8 | Very high | 92.4 | Very high | 93 Ų | 93 | 107.1 Ų | 107.1 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 151.4 | 168.6 | -22.9 | 33.2 | 0 | 0 | 0 | 112.3 | G135 R136 | P133-G135 PolarHBondContact O-N 3.09Å; P133-R136 HydrophobicContact CB-CG 4.25Å; P133-R136 WeakPolarHBondContact O-CB 3.34Å; P133-R136 PolarHBondContact O-N 3.37Å |
| 134 | L | 88.7 | Confident | 92.1 | Very high | 178 Ų | 178 | 112.6 Ų | 112.6 | 93% | 0.932 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 135.4 | 177.5 | -176.1 | 66.5 | 0 | 0 | 0 | 111.4 | R136 | L134-R136 VanDerWaalsContact C-N 3.34Š|
| 135 | G | 88.5 | Confident | 91.7 | Very high | 70 Ų | 70 | 111 Ų | 111 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.9 | 13.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | P133 | P133-G135 PolarHBondContact O-N 3.09Š|
| 136 | R | 89.8 | Confident | 91.2 | Very high | 175 Ų | 175 | 112.5 Ų | 112.5 | 66% | 0.66 | 60% | 0.596 | S | S | * | * | trans | -104.9 | 144.5 | 168 | -61.7 | -61.8 | -166.4 | -98.4 | 1.6 | 110.2 | K132 P133 L134 | K132-R136 HydrophobicContact CB-CB 4.32Å; P133-R136 HydrophobicContact CB-CG 4.25Å; P133-R136 WeakPolarHBondContact O-CB 3.34Å; P133-R136 PolarHBondContact O-N 3.37Å; L134-R136 VanDerWaalsContact C-N 3.34Å | ||
| 137 | L | 84.4 | Confident | 90.6 | Very high | 212 Ų | 212 | 119.3 Ų | 119.3 | 100% | 1.11 | 63% | 0.629 | S | S | * | * | trans | -114.9 | 0 | 176.4 | -70.3 | 175.1 | 0 | 0 | 0 | 111.1 | K132 | K132-L137 PolarHBondContact NZ-O 3.16Å; K132-L137 PolarHBondContact NZ-OXT 3.44Å |
Retrieved 137 of 137 residues in 689 ms
(Link to these results)