| 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 | 33.2 | Very low | 226 Ų | 226 | 143.5 Ų | 143.5 | 100% | 1.113 | 80% | 0.798 | S | S | * | * | 0 | 90.6 | 0 | -92.5 | 144.9 | 59.1 | 0 | 0 | 106.7 | |||||
| 2 | Q | 33.7 | Very low | 33.1 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | 57.8 | 128.6 | 87.9 | -69 | -167.2 | -42.7 | 0 | 0 | 111.4 | |||||
| 3 | L | 34.2 | Very low | 33.1 | Very low | 129 Ų | 129 | 148 Ų | 148 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | cis | -172 | 154.7 | 10.3 | -136 | 86.4 | 0 | 0 | 0 | 108.3 | ||||
| 4 | L | 35.1 | Very low | 33 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | 84.8 | 115.2 | 148.8 | -63.4 | 153.7 | 0 | 0 | 0 | 119.8 | ||||
| 5 | F | 34.7 | Very low | 33.1 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | cis | 80.4 | 136.2 | 43.2 | -96.5 | -75.7 | 0 | 0 | 0 | 117.9 | ||||
| 6 | L | 33.3 | Very low | 33 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | 88.3 | 115 | 172.8 | -82.2 | 72.6 | 0 | 0 | 0 | 117 | ||||
| 7 | S | 30.8 | Very low | 32.8 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | cis | 84.2 | 121.3 | 41.7 | -170.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 8 | C | 29.4 | Very low | 32.6 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | 137.5 | 110.8 | 142.7 | -90.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 9 | V | 32.3 | Very low | 32.6 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | 94.4 | 110.7 | 73.8 | 165.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 10 | T | 32.1 | Very low | 32.4 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 41.8 | 125.2 | 148.2 | 63.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 11 | A | 31.8 | Very low | 32.3 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | -160.2 | 103.5 | 129.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L13 | A11-L13 PolarHBondContact O-N 2.97Š| |||
| 12 | L | 32 | Very low | 31.9 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 96% | 0.963 | 79% | 0.792 | S | S | * | * | trans | -72 | 111.6 | 161.7 | -95.1 | 131.2 | 0 | 0 | 0 | 108 | ||||
| 13 | L | 32.5 | Very low | 31.8 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -94.2 | 103.3 | 167.6 | -84.5 | 163 | 0 | 0 | 0 | 108.9 | A11 S15 | A11-L13 PolarHBondContact O-N 2.97Å; L13-S15 PolarHBondContact O-N 3.46Å | ||
| 14 | A | 32.8 | Very low | 31.8 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 111.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | S16 | A14-S16 PolarHBondContact O-N 2.64Š| ||
| 15 | S | 33.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -82.4 | 100.4 | 164.1 | -83 | 0 | 0 | 0 | 0 | 108.8 | L13 C17 | L13-S15 PolarHBondContact O-N 3.46Å; S15-C17 PolarHBondContact O-N 3.22Å | ||
| 16 | S | 32.6 | Very low | 32 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -64.2 | 105.2 | 163.3 | 34.5 | 0 | 0 | 0 | 0 | 109.3 | A14 L18 | A14-S16 PolarHBondContact O-N 2.64Å; S16-L18 PolarHBondContact O-N 3.11Å | ||
| 17 | C | 29.1 | Very low | 32.4 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 86% | 0.858 | 79% | 0.793 | S | S | * | * | trans | -63.6 | 100.2 | 163.3 | -91.6 | 0 | 0 | 0 | 0 | 108.6 | S15 L19 | S15-C17 PolarHBondContact O-N 3.22Å; C17-L19 PolarHBondContact O-N 3.46Å; C17-L19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | L | 30.2 | Very low | 32.8 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -64.1 | 107.7 | 162.9 | -79 | 157 | 0 | 0 | 0 | 107.9 | S16 S20 | S16-L18 PolarHBondContact O-N 3.11Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.45Å | ||
| 19 | L | 32 | Very low | 33.8 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | -57.2 | 97.6 | 160.8 | -87 | 150.6 | 0 | 0 | 0 | 107.7 | C17 E21 | C17-L19 PolarHBondContact O-N 3.46Å; C17-L19 VanDerWaalsContact O-N 3.15Å; L19-E21 PolarHBondContact O-N 3Å; L19-E21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | S | 29.2 | Very low | 34.8 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -72.4 | 99.9 | 164.9 | -170.6 | 0 | 0 | 0 | 0 | 106.8 | L18 A22 | L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.45Å; S20-A22 PolarHBondContact O-N 3.46Å | ||
| 21 | E | 30.1 | Very low | 36.4 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -55.9 | 103.9 | 161.7 | -79.4 | -172.6 | 161 | 0 | 0 | 107.7 | L19 R23 | L19-E21 PolarHBondContact O-N 3Å; L19-E21 VanDerWaalsContact O-N 3.12Å; E21-R23 PolarHBondContact O-N 3.4Å; E21-R23 IonicContact OE2-NE 3.3Å; E21-R23 IonicContact OE2-NH2 3Å | ||
| 22 | A | 30.1 | Very low | 38.5 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -67.4 | 83.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | S20 V24 | S20-A22 PolarHBondContact O-N 3.46Å; A22-V24 VanDerWaalsContact C-N 3.3Å; A22-V24 PolarHBondContact O-N 2.85Å | ||
| 23 | R | 30.5 | Very low | 40.8 | Very low | 211 Ų | 211 | 133.9 Ų | 133.9 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -67.1 | 95.3 | 164.3 | -75.3 | -175.3 | -175.2 | 177 | 0.6 | 107.6 | E21 A25 | E21-R23 PolarHBondContact O-N 3.4Å; E21-R23 IonicContact OE2-NE 3.3Å; E21-R23 IonicContact OE2-NH2 3Å; R23-A25 VanDerWaalsContact C-N 3.31Å; R23-A25 PolarHBondContact O-N 3.06Å | ||
| 24 | V | 34 | Very low | 43 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | -62 | 99 | 161.9 | 178.7 | 0 | 0 | 0 | 0 | 106.5 | A22 K26 | A22-V24 VanDerWaalsContact C-N 3.3Å; A22-V24 PolarHBondContact O-N 2.85Å; V24-K26 VanDerWaalsContact C-N 3.26Å; V24-K26 HydrophobicContact CG1-CG 4.17Å; V24-K26 PolarHBondContact O-N 3.25Å | ||
| 25 | A | 36.2 | Very low | 45.4 | Very low | 100 Ų | 100 | 142 Ų | 142 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -65.6 | 89.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | R23 | R23-A25 VanDerWaalsContact C-N 3.31Å; R23-A25 PolarHBondContact O-N 3.06Å | ||
| 26 | K | 38 | Very low | 47.8 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -73 | 129.9 | 166.3 | -85.6 | -177.7 | 178.8 | 178.6 | 0 | 107.7 | V24 F28 | V24-K26 VanDerWaalsContact C-N 3.26Å; V24-K26 HydrophobicContact CG1-CG 4.17Å; V24-K26 PolarHBondContact O-N 3.25Å; K26-F28 PolarHBondContact O-N 3.16Å | ||
| 27 | R | 41.8 | Very low | 50.4 | Low | 238 Ų | 238 | 137.7 Ų | 137.7 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | trans | -44.3 | 133.3 | -179.6 | -67.7 | 172.5 | 176.9 | 178.3 | -2.7 | 110.8 | A29 | R27-A29 PolarHBondContact O-N 3.32Š| ||
| 28 | F | 40.3 | Very low | 53.1 | Low | 202 Ų | 202 | 139.2 Ų | 139.2 | 89% | 0.886 | 71% | 0.71 | S | S | * | * | trans | -42.3 | 108.9 | 164.7 | -70.9 | -93.3 | 0 | 0 | 0 | 109.6 | K26 I30 | K26-F28 PolarHBondContact O-N 3.16Å; F28-I30 PolarHBondContact O-N 3.12Å | ||
| 29 | A | 48.4 | Very low | 55.7 | Low | 34 Ų | 34 | 136.4 Ų | 136.4 | 28% | 0.281 | 70% | 0.704 | S | S | . | * | trans | -60.2 | 127.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | R27 D31 C32 | R27-A29 PolarHBondContact O-N 3.32Å; A29-D31 PolarHBondContact O-N 2.85Å; A29-C32 WeakPolarHBondContact CB-SG 3.4Å; A29-C32 PolarHBondContact O-N 3.48Å | ||
| 30 | I | 55 | Low | 58.3 | Low | 163 Ų | 163 | 135.5 Ų | 135.5 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 126.1 | 179.3 | -60.1 | 166.2 | 0 | 0 | 0 | 105.9 | F28 | F28-I30 PolarHBondContact O-N 3.12Š|
| 31 | D | 66 | Low | 61 | Low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.1 | 25.5 | -178.3 | -72.6 | -24.3 | 0 | 0 | 0 | 120.2 | A29 | A29-D31 PolarHBondContact O-N 2.85Š|
| 32 | C | 74.5 | Confident | 63.7 | Low | 46 Ų | 46 | 128.4 Ų | 128.4 | 31% | 0.311 | 66% | 0.66 | S | S | . | * | trans | -78.5 | 134.9 | 167.8 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | A29 C57 | A29-C32 WeakPolarHBondContact CB-SG 3.4Å; A29-C32 PolarHBondContact O-N 3.48Å; C32-C57 VanDerWaalsContact CA-SG 3.5Å; C32-C57 HydrophobicContact CB-CB 3.75Å; C32-C57 WeakPolarHBondContact CB-SG 3.32Å; C32-C57 WeakPolarHBondContact SG-CA 3.13Å; C32-C57 WeakPolarHBondContact SG-CB 3.05Å; C32-C57 CovalentContact SG-SG 2.03Å; C32-C57 PolarHBondContact SG-SG 2.73Å | ||
| 33 | P | 79.8 | Confident | 66.2 | Low | 86 Ų | 86 | 132.6 Ų | 132.6 | 56% | 0.558 | 66% | 0.664 | S | S | * | * | trans | -66.6 | 143.9 | 176.6 | 27.2 | -33.5 | 0 | 0 | 0 | 111.8 | R35 | P33-R35 PolarHBondContact O-N 3.16Š| ||
| 34 | E | 79.5 | Confident | 68.7 | Low | 204 Ų | 204 | 125.3 Ų | 125.3 | 95% | 0.953 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -61.5 | -25.2 | 179.5 | -71.8 | -166.3 | 161.1 | 0 | 0 | 113.5 | ||
| 35 | R | 82.9 | Confident | 71 | Confident | 222 Ų | 222 | 122.9 Ų | 122.9 | 84% | 0.838 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -130 | 131.5 | 174.6 | -69.9 | -175.1 | -179.5 | -174.3 | 0.5 | 109.9 | P33 D37 | P33-R35 PolarHBondContact O-N 3.16Å; R35-D37 PolarHBondContact O-N 2.86Å |
| 36 | C | 84.5 | Confident | 72.8 | Confident | 63 Ų | 63 | 122.3 Ų | 122.3 | 43% | 0.426 | 62% | 0.622 | S | S | . | * | trans | -74.2 | 113.5 | 173.6 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | C59 | C36-C59 WeakPolarHBondContact CA-SG 3.41Å; C36-C59 HydrophobicContact CB-CB 3.65Å; C36-C59 WeakPolarHBondContact CB-SG 3.16Å; C36-C59 WeakPolarHBondContact SG-CA 3.39Å; C36-C59 WeakPolarHBondContact SG-CB 3.43Å; C36-C59 CovalentContact SG-SG 2.02Å; C36-C59 PolarHBondContact SG-SG 2.6Å | ||
| 37 | D | 87.3 | Confident | 74.7 | Confident | 71 Ų | 71 | 120.5 Ų | 120.5 | 38% | 0.38 | 62% | 0.62 | S | S | . | * | trans | -100.4 | 99.4 | 169.3 | -175.8 | -2.4 | 0 | 0 | 0 | 110.1 | R35 S39 Q40 | R35-D37 PolarHBondContact O-N 2.86Å; D37-S39 VanDerWaalsContact CG-OG 3.27Å; D37-S39 PolarHBondContact O-N 2.85Å; D37-S39 WeakPolarHBondContact OD1-CB 3.34Å; D37-S39 PolarHBondContact OD1-N 2.88Å; D37-S39 PolarHBondContact OD1-OG 3.11Å; D37-S39 PolarHBondContact OD2-OG 3.21Å; D37-Q40 HydrophobicContact CB-CG 4.44Å; D37-Q40 PolarHBondContact O-N 2.78Å; D37-Q40 PolarHBondContact OD2-NE2 3.33Å | ||
| 38 | K | 84 | Confident | 76.7 | Confident | 159 Ų | 159 | 109.6 Ų | 109.6 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -65 | -19.7 | -178.3 | -67.3 | -173 | 176.2 | -173.9 | 0 | 113.8 | Q40 C41 | K38-Q40 PolarHBondContact O-N 3.06Å; K38-C41 PolarHBondContact O-N 2.85Å |
| 39 | S | 85.4 | Confident | 78.8 | Confident | 102 Ų | 102 | 102.2 Ų | 102.2 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -71.7 | -19.9 | 179.8 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | D37 | D37-S39 VanDerWaalsContact CG-OG 3.27Å; D37-S39 PolarHBondContact O-N 2.85Å; D37-S39 WeakPolarHBondContact OD1-CB 3.34Å; D37-S39 PolarHBondContact OD1-N 2.88Å; D37-S39 PolarHBondContact OD1-OG 3.11Å; D37-S39 PolarHBondContact OD2-OG 3.21Å |
| 40 | Q | 86.1 | Confident | 80.4 | Confident | 153 Ų | 153 | 101.7 Ų | 101.7 | 72% | 0.715 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -96 | 1.5 | -180 | -60.5 | -174.8 | 25.3 | 0 | 0 | 113 | D37 K38 | D37-Q40 HydrophobicContact CB-CG 4.44Å; D37-Q40 PolarHBondContact O-N 2.78Å; D37-Q40 PolarHBondContact OD2-NE2 3.33Å; K38-Q40 PolarHBondContact O-N 3.06Å |
| 41 | C | 87.7 | Confident | 81.8 | Confident | 19 Ų | 19 | 95 Ų | 95 | 13% | 0.128 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 138 | -178.7 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | K38 C60 | K38-C41 PolarHBondContact O-N 2.85Å; C41-C60 WeakPolarHBondContact CA-SG 3.32Å; C41-C60 HydrophobicContact CB-CB 3.66Å; C41-C60 WeakPolarHBondContact CB-SG 3.4Å; C41-C60 WeakPolarHBondContact SG-CA 3.26Å; C41-C60 WeakPolarHBondContact SG-CB 3.47Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.85Å |
| 42 | P | 85 | Confident | 82.9 | Confident | 90 Ų | 90 | 92.1 Ų | 92.1 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 148.9 | 173.2 | 27.4 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 43 | Q | 83.6 | Confident | 83.5 | Confident | 177 Ų | 177 | 91.2 Ų | 91.2 | 83% | 0.827 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 135.7 | 172 | -67.2 | -64 | -56.4 | 0 | 0 | 109.4 | ||
| 44 | I | 82.6 | Confident | 83.9 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 30% | 0.303 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 133.5 | 179.3 | -54.9 | 172.9 | 0 | 0 | 0 | 108.5 | A46 C48 D52 P61 | I44-A46 PolarHBondContact O-N 2.6Å; I44-C48 HydrophobicContact CG2-CB 3.79Å; I44-D52 HydrophobicContact CD1-CB 3.77Å; I44-P61 HydrophobicContact CD1-CB 3.67Å; I44-P61 HydrophobicContact CD1-CG 3.92Å; I44-P61 HydrophobicContact CG1-CB 4.22Å; I44-P61 HydrophobicContact CG1-CG 4.16Å |
| 45 | P | 81.8 | Confident | 84.2 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -52 | 138.5 | 177.1 | -28.7 | 35.9 | 0 | 0 | 0 | 113.3 | D47 C48 | P45-D47 WeakPolarHBondContact CB-OD1 3.3Å; P45-D47 PolarHBondContact O-N 3.14Å; P45-C48 VanDerWaalsContact O-CB 3.22Å; P45-C48 WeakPolarHBondContact O-CB 3.28Å; P45-C48 PolarHBondContact O-N 3.21Å |
| 46 | A | 74.1 | Confident | 84.1 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I44 C48 K137 | I44-A46 PolarHBondContact O-N 2.6Å; A46-C48 VanDerWaalsContact C-N 3.28Å; A46-C48 PolarHBondContact O-N 3.17Å; A46-K137 VanDerWaalsContact O-CD 3.26Å; A46-K137 WeakPolarHBondContact O-CD 3.47Å; A46-K137 WeakPolarHBondContact O-CE 3.47Å; A46-K137 PolarHBondContact O-NZ 2.9Å |
| 47 | D | 78.6 | Confident | 84.1 | Confident | 128 Ų | 128 | 76 Ų | 76 | 68% | 0.684 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4.5 | 176.7 | 60.9 | -24.5 | 0 | 0 | 0 | 114.1 | P45 L49 | P45-D47 WeakPolarHBondContact CB-OD1 3.3Å; P45-D47 PolarHBondContact O-N 3.14Å; D47-L49 WeakPolarHBondContact O-CG 3.49Å; D47-L49 PolarHBondContact O-N 2.72Å |
| 48 | C | 84.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 78.2 Ų | 78.2 | 5% | 0.054 | 45% | 0.45 | C | S | . | . | trans | -71.7 | 89.4 | 178.8 | -168.1 | 0 | 0 | 0 | 0 | 113.3 | I44 P45 A46 G51 C63 K137 | I44-C48 HydrophobicContact CG2-CB 3.79Å; P45-C48 VanDerWaalsContact O-CB 3.22Å; P45-C48 WeakPolarHBondContact O-CB 3.28Å; P45-C48 PolarHBondContact O-N 3.21Å; A46-C48 VanDerWaalsContact C-N 3.28Å; A46-C48 PolarHBondContact O-N 3.17Å; C48-G51 PolarHBondContact SG-O 2.91Å; C48-C63 WeakPolarHBondContact CA-SG 3.43Å; C48-C63 HydrophobicContact CB-CB 3.76Å; C48-C63 WeakPolarHBondContact CB-SG 3.39Å; C48-C63 WeakPolarHBondContact SG-CA 3.21Å; C48-C63 WeakPolarHBondContact SG-CB 3.35Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.27Å; C48-K137 WeakPolarHBondContact O-CE 3.07Å; C48-K137 PolarHBondContact O-NZ 3.33Å | ||
| 49 | L | 83 | Confident | 84.1 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | trans | -90.8 | -21.4 | -173.7 | -60.8 | -176 | 0 | 0 | 0 | 114 | D47 G51 R130 N133 R134 K137 | D47-L49 WeakPolarHBondContact O-CG 3.49Å; D47-L49 PolarHBondContact O-N 2.72Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-R130 HydrophobicContact CB-CG 3.77Å; L49-R130 HydrophobicContact CD1-CG 4.49Å; L49-N133 WeakPolarHBondContact O-CB 3.38Å; L49-N133 PolarHBondContact O-ND2 3.16Å; L49-R134 HydrophobicContact CD1-CB 4.26Å; L49-R134 HydrophobicContact CD1-CG 4.31Å; L49-R134 HydrophobicContact CD2-CB 3.81Å; L49-R134 HydrophobicContact CD2-CG 4.11Å; L49-K137 HydrophobicContact CD2-CD 4.2Å | ||
| 50 | A | 83 | Confident | 84.3 | Confident | 23 Ų | 23 | 67 Ų | 67 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -78.4 | -16.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A80 | A50-A80 HydrophobicContact CB-CB 3.81Å; A50-A80 WeakPolarHBondContact O-CB 3.24Å |
| 51 | G | 84.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | trans | 108.4 | -178 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | C48 L49 A64 | C48-G51 PolarHBondContact SG-O 2.91Å; L49-G51 VanDerWaalsContact C-N 3.31Å; G51-A64 VanDerWaalsContact O-CB 3.3Å; G51-A64 WeakPolarHBondContact O-CB 3.36Å; G51-A64 PolarHBondContact O-N 3.12Å | ||
| 52 | D | 87.6 | Confident | 84.5 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.1 | -179.7 | 61.6 | -40.9 | 0 | 0 | 0 | 112.3 | I44 P61 V62 | I44-D52 HydrophobicContact CD1-CB 3.77Å; D52-P61 HydrophobicContact CB-CB 4.34Å; D52-V62 WeakPolarHBondContact CA-O 3.45Å |
| 53 | V | 88.3 | Confident | 84.8 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 167 | 171.5 | -71.3 | 0 | 0 | 0 | 0 | 108.3 | P61 V62 A64 D78 | V53-P61 CarbonylContact O-C 3.54Å; V53-P61 WeakPolarHBondContact O-CA 3.29Å; V53-V62 HydrophobicContact CG2-CG2 4.06Å; V53-V62 PolarHBondContact N-O 2.85Å; V53-V62 WeakPolarHBondContact O-CG2 3.23Å; V53-V62 PolarHBondContact O-N 3.22Å; V53-A64 HydrophobicContact CB-CB 4.25Å; V53-A64 HydrophobicContact CG1-CB 3.64Å; V53-A64 HydrophobicContact CG2-CB 3.83Å; V53-D78 HydrophobicContact CB-CB 4.2Å; V53-D78 HydrophobicContact CG1-CB 4.21Å; V53-D78 HydrophobicContact CG2-CB 4.07Å |
| 54 | L | 88.1 | Confident | 85.1 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 147.2 | 172.6 | -60.8 | 174.4 | 0 | 0 | 0 | 110 | N58 C60 | L54-N58 WeakPolarHBondContact CD1-OD1 3.24Å; L54-C60 CarbonylContact C-O 3.6Å; L54-C60 WeakPolarHBondContact CA-O 3.49Å |
| 55 | D | 85.3 | Confident | 85.4 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | trans | -58.9 | 174.9 | 172.1 | 64.4 | 18.5 | 0 | 0 | 0 | 112.7 | C57 N58 C59 C60 V62 | D55-C57 PolarHBondContact O-N 2.89Å; D55-C57 VanDerWaalsContact OD1-C 3.25Å; D55-C57 WeakPolarHBondContact OD1-CA 3.09Å; D55-C57 WeakPolarHBondContact OD1-CB 3.31Å; D55-C57 PolarHBondContact OD1-N 2.99Å; D55-N58 WeakPolarHBondContact O-CA 3.09Å; D55-N58 PolarHBondContact O-N 3.43Å; D55-N58 PolarHBondContact OD1-N 2.83Å; D55-C59 PolarHBondContact OD1-N 2.97Å; D55-C60 PolarHBondContact N-O 3.25Å; D55-C60 WeakPolarHBondContact OD2-CB 3.4Å; D55-C60 PolarHBondContact OD2-N 3.31Å; D55-C60 VanDerWaalsContact OD2-N 3.12Å; D55-V62 HydrophobicContact CB-CG1 3.99Å; D55-V62 HydrophobicContact CB-CG2 4.27Å | ||
| 56 | S | 81.1 | Confident | 85.8 | Confident | 106 Ų | 106 | 46.2 Ų | 46.2 | 74% | 0.741 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18 | 177.8 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | N58 | S56-N58 VanDerWaalsContact C-N 3.32Š|
| 57 | C | 84.1 | Confident | 86.5 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.3 | 174.2 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | C32 D55 C59 | C32-C57 VanDerWaalsContact CA-SG 3.5Å; C32-C57 HydrophobicContact CB-CB 3.75Å; C32-C57 WeakPolarHBondContact CB-SG 3.32Å; C32-C57 WeakPolarHBondContact SG-CA 3.13Å; C32-C57 WeakPolarHBondContact SG-CB 3.05Å; C32-C57 CovalentContact SG-SG 2.03Å; C32-C57 PolarHBondContact SG-SG 2.73Å; D55-C57 PolarHBondContact O-N 2.89Å; D55-C57 VanDerWaalsContact OD1-C 3.25Å; D55-C57 WeakPolarHBondContact OD1-CA 3.09Å; D55-C57 WeakPolarHBondContact OD1-CB 3.31Å; D55-C57 PolarHBondContact OD1-N 2.99Å; C57-C59 HydrophobicContact CB-CB 4.41Å; C57-C59 PolarHBondContact O-N 2.89Å |
| 58 | N | 83.9 | Confident | 87 | Confident | 119 Ų | 119 | 41.8 Ų | 41.8 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 56.1 | 36.9 | -177 | -157.7 | 72.4 | 0 | 0 | 0 | 112.5 | L54 D55 S56 | L54-N58 WeakPolarHBondContact CD1-OD1 3.24Å; D55-N58 WeakPolarHBondContact O-CA 3.09Å; D55-N58 PolarHBondContact O-N 3.43Å; D55-N58 PolarHBondContact OD1-N 2.83Å; S56-N58 VanDerWaalsContact C-N 3.32Å |
| 59 | C | 87.4 | Confident | 87.2 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | trans | -119.1 | -66.3 | -172.6 | 179.1 | 0 | 0 | 0 | 0 | 113.6 | C36 D55 C57 | C36-C59 WeakPolarHBondContact CA-SG 3.41Å; C36-C59 HydrophobicContact CB-CB 3.65Å; C36-C59 WeakPolarHBondContact CB-SG 3.16Å; C36-C59 WeakPolarHBondContact SG-CA 3.39Å; C36-C59 WeakPolarHBondContact SG-CB 3.43Å; C36-C59 CovalentContact SG-SG 2.02Å; C36-C59 PolarHBondContact SG-SG 2.6Å; D55-C59 PolarHBondContact OD1-N 2.97Å; C57-C59 HydrophobicContact CB-CB 4.41Å; C57-C59 PolarHBondContact O-N 2.89Å | ||
| 60 | C | 89.3 | Confident | 87.6 | Confident | 16 Ų | 16 | 50 Ų | 50 | 11% | 0.108 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -94.1 | 142 | -174.2 | -69 | 0 | 0 | 0 | 0 | 111.8 | C41 L54 D55 V62 | C41-C60 WeakPolarHBondContact CA-SG 3.32Å; C41-C60 HydrophobicContact CB-CB 3.66Å; C41-C60 WeakPolarHBondContact CB-SG 3.4Å; C41-C60 WeakPolarHBondContact SG-CA 3.26Å; C41-C60 WeakPolarHBondContact SG-CB 3.47Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.85Å; L54-C60 CarbonylContact C-O 3.6Å; L54-C60 WeakPolarHBondContact CA-O 3.49Å; D55-C60 PolarHBondContact N-O 3.25Å; D55-C60 WeakPolarHBondContact OD2-CB 3.4Å; D55-C60 PolarHBondContact OD2-N 3.31Å; D55-C60 VanDerWaalsContact OD2-N 3.12Å; C60-V62 PolarHBondContact O-N 2.93Å |
| 61 | P | 88.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 49 Ų | 49 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 130 | 172.7 | 32.8 | -34.5 | 0 | 0 | 0 | 109.3 | I44 D52 V53 | I44-P61 HydrophobicContact CD1-CB 3.67Å; I44-P61 HydrophobicContact CD1-CG 3.92Å; I44-P61 HydrophobicContact CG1-CB 4.22Å; I44-P61 HydrophobicContact CG1-CG 4.16Å; D52-P61 HydrophobicContact CB-CB 4.34Å; V53-P61 CarbonylContact O-C 3.54Å; V53-P61 WeakPolarHBondContact O-CA 3.29Å |
| 62 | V | 90.2 | Very high | 87.6 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 161.1 | 178.8 | -66.5 | 0 | 0 | 0 | 0 | 108.9 | D52 V53 D55 C60 A64 | D52-V62 WeakPolarHBondContact CA-O 3.45Å; V53-V62 HydrophobicContact CG2-CG2 4.06Å; V53-V62 PolarHBondContact N-O 2.85Å; V53-V62 WeakPolarHBondContact O-CG2 3.23Å; V53-V62 PolarHBondContact O-N 3.22Å; D55-V62 HydrophobicContact CB-CG1 3.99Å; D55-V62 HydrophobicContact CB-CG2 4.27Å; C60-V62 PolarHBondContact O-N 2.93Å; V62-A64 PolarHBondContact O-N 3.22Å |
| 63 | C | 90.1 | Very high | 87.3 | Confident | 40 Ų | 40 | 46.6 Ų | 46.6 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128 | -179.9 | -165.7 | 0 | 0 | 0 | 0 | 111 | C48 | C48-C63 WeakPolarHBondContact CA-SG 3.43Å; C48-C63 HydrophobicContact CB-CB 3.76Å; C48-C63 WeakPolarHBondContact CB-SG 3.39Å; C48-C63 WeakPolarHBondContact SG-CA 3.21Å; C48-C63 WeakPolarHBondContact SG-CB 3.35Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.27Å |
| 64 | A | 89.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -74 | 147.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G51 V53 V62 G66 A80 | G51-A64 VanDerWaalsContact O-CB 3.3Å; G51-A64 WeakPolarHBondContact O-CB 3.36Å; G51-A64 PolarHBondContact O-N 3.12Å; V53-A64 HydrophobicContact CB-CB 4.25Å; V53-A64 HydrophobicContact CG1-CB 3.64Å; V53-A64 HydrophobicContact CG2-CB 3.83Å; V62-A64 PolarHBondContact O-N 3.22Å; A64-G66 PolarHBondContact O-N 2.94Å; A64-A80 HydrophobicContact CB-CB 3.82Å |
| 65 | S | 90.7 | Very high | 86.1 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 123.2 | 172.9 | -71.3 | 0 | 0 | 0 | 0 | 110.1 | E69 Q70 Q77 D78 A80 C106 | S65-E69 VanDerWaalsContact CA-OE2 3.3Å; S65-E69 WeakPolarHBondContact CA-OE2 3.45Å; S65-Q70 PolarHBondContact OG-O 2.93Å; S65-Q70 VanDerWaalsContact OG-O 3.07Å; S65-Q77 PolarHBondContact OG-O 3.02Å; S65-D78 PolarHBondContact N-O 2.71Å; S65-A80 PolarHBondContact O-N 3.5Å; S65-C106 WeakPolarHBondContact CB-SG 3.47Å |
| 66 | G | 89.3 | Confident | 85.9 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 9% | 0.093 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 171.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A64 G68 E69 C106 | A64-G66 PolarHBondContact O-N 2.94Å; G66-G68 PolarHBondContact O-N 2.97Å; G66-E69 PolarHBondContact N-OE2 3.43Å; G66-E69 WeakPolarHBondContact O-CB 3.4Å; G66-E69 PolarHBondContact O-N 3.28Å; G66-C106 WeakPolarHBondContact O-CB 3.3Å |
| 67 | E | 89.7 | Confident | 86.1 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 122.6 | 178.3 | -176.6 | 169.4 | -147.2 | 0 | 0 | 110.7 | M83 C106 C108 N124 | E67-M83 HydrophobicContact CB-CE 3.9Å; E67-M83 HydrophobicContact CB-SD 4.1Å; E67-M83 PolarHBondContact N-SD 3.3Å; E67-M83 VanDerWaalsContact N-SD 3.39Å; E67-C106 WeakPolarHBondContact CA-O 3.31Å; E67-C108 WeakPolarHBondContact OE1-CB 3.43Å; E67-C108 PolarHBondContact OE1-N 3.17Å; E67-N124 PolarHBondContact OE1-ND2 2.85Å; E67-N124 VanDerWaalsContact OE1-ND2 3.12Å; E67-N124 PolarHBondContact OE2-ND2 3.48Å |
| 68 | G | 87.9 | Confident | 86.4 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 58% | 0.577 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -8.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G66 V105 C106 | G66-G68 PolarHBondContact O-N 2.97Å; G68-V105 VanDerWaalsContact C-CG1 3.41Å; G68-V105 VanDerWaalsContact CA-CG1 3.44Å; G68-C106 PolarHBondContact N-O 3.44Å |
| 69 | E | 89.7 | Confident | 86.7 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -89.4 | 159 | 178.3 | -63 | -176.9 | 165.6 | 0 | 0 | 112.5 | S65 G66 V105 C106 | S65-E69 VanDerWaalsContact CA-OE2 3.3Å; S65-E69 WeakPolarHBondContact CA-OE2 3.45Å; G66-E69 PolarHBondContact N-OE2 3.43Å; G66-E69 WeakPolarHBondContact O-CB 3.4Å; G66-E69 PolarHBondContact O-N 3.28Å; E69-V105 CarbonylContact O-C 3.56Å; E69-V105 VanDerWaalsContact O-CA 3.31Å; E69-V105 WeakPolarHBondContact O-CA 3.29Å; E69-C106 PolarHBondContact O-N 2.9Å |
| 70 | Q | 89.6 | Confident | 86.8 | Confident | 122 Ų | 122 | 48.6 Ų | 48.6 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 146.8 | -176.2 | -66.8 | 174.4 | 38.6 | 0 | 0 | 111.8 | S65 G104 | S65-Q70 PolarHBondContact OG-O 2.93Å; S65-Q70 VanDerWaalsContact OG-O 3.07Å; Q70-G104 WeakPolarHBondContact CA-O 3.48Å |
| 71 | C | 88.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.4 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 112 | G73 C79 C85 G104 V105 C106 | C71-G73 PolarHBondContact O-N 2.79Å; C71-C79 VanDerWaalsContact CB-SG 3.57Å; C71-C79 VanDerWaalsContact SG-SG 3.69Å; C71-C85 HydrophobicContact CB-CB 3.8Å; C71-C85 WeakPolarHBondContact CB-SG 3.42Å; C71-C85 PolarHBondContact O-SG 2.94Å; C71-C85 VanDerWaalsContact O-SG 3.38Å; C71-C85 WeakPolarHBondContact SG-CA 3.09Å; C71-C85 WeakPolarHBondContact SG-CB 3.29Å; C71-C85 CovalentContact SG-SG 2.02Å; C71-C85 PolarHBondContact SG-SG 2.73Å; C71-G104 PolarHBondContact N-O 3.22Å; C71-G104 PolarHBondContact O-N 2.67Å; C71-V105 PolarHBondContact SG-N 3Å; C71-C106 VanDerWaalsContact CB-SG 3.54Å |
| 72 | G | 80.3 | Confident | 86.6 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 76 | -3.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 73 | G | 80.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -86.7 | 167.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.5 | C71 G75 D76 | C71-G73 PolarHBondContact O-N 2.79Å; G73-G75 PolarHBondContact O-N 2.99Å; G73-D76 WeakPolarHBondContact CA-OD2 3.33Å; G73-D76 PolarHBondContact N-OD2 3.42Å; G73-D76 PolarHBondContact O-N 3.4Å |
| 74 | P | 74.9 | Confident | 86.7 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 82% | 0.818 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 114.2 | 176.1 | -16.1 | 30.2 | 0 | 0 | 0 | 111.3 | ||
| 75 | G | 75.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 77% | 0.773 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -3.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | G73 | G73-G75 PolarHBondContact O-N 2.99Š|
| 76 | D | 81.9 | Confident | 86.6 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 146.4 | 173.3 | -61.5 | -19.7 | 0 | 0 | 0 | 110.6 | G73 | G73-D76 WeakPolarHBondContact CA-OD2 3.33Å; G73-D76 PolarHBondContact N-OD2 3.42Å; G73-D76 PolarHBondContact O-N 3.4Å |
| 77 | Q | 85.8 | Confident | 86.3 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 158.2 | 174 | -59.3 | -61.8 | -11.6 | 0 | 0 | 111.5 | S65 | S65-Q77 PolarHBondContact OG-O 3.02Š|
| 78 | D | 88.9 | Confident | 85 | Confident | 109 Ų | 109 | 71.7 Ų | 71.7 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 146.7 | 172.7 | -80 | -19 | 0 | 0 | 0 | 110.7 | V53 S65 | V53-D78 HydrophobicContact CB-CB 4.2Å; V53-D78 HydrophobicContact CG1-CB 4.21Å; V53-D78 HydrophobicContact CG2-CB 4.07Å; S65-D78 PolarHBondContact N-O 2.71Å |
| 79 | C | 90.5 | Very high | 83.5 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 14% | 0.142 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 147.8 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.5 | C71 M83 C106 | C71-C79 VanDerWaalsContact CB-SG 3.57Å; C71-C79 VanDerWaalsContact SG-SG 3.69Å; C79-M83 HydrophobicContact CB-CB 3.89Å; C79-C106 WeakPolarHBondContact CA-SG 3.35Å; C79-C106 HydrophobicContact CB-CB 3.8Å; C79-C106 WeakPolarHBondContact CB-SG 3.4Å; C79-C106 WeakPolarHBondContact SG-CA 3.4Å; C79-C106 WeakPolarHBondContact SG-CB 3.36Å; C79-C106 CovalentContact SG-SG 2.03Å; C79-C106 PolarHBondContact SG-SG 2.8Å |
| 80 | A | 89.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 3% | 0.025 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 159.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A50 A64 S65 G82 M83 | A50-A80 HydrophobicContact CB-CB 3.81Å; A50-A80 WeakPolarHBondContact O-CB 3.24Å; A64-A80 HydrophobicContact CB-CB 3.82Å; S65-A80 PolarHBondContact O-N 3.5Å; A80-G82 PolarHBondContact O-N 3.48Å; A80-M83 HydrophobicContact CB-CE 4Å; A80-M83 HydrophobicContact CB-CG 4.47Å; A80-M83 HydrophobicContact CB-SD 3.9Å; A80-M83 VanDerWaalsContact O-CB 3.32Å; A80-M83 WeakPolarHBondContact O-CB 3.46Å; A80-M83 PolarHBondContact O-N 2.78Å |
| 81 | E | 87.4 | Confident | 79.4 | Confident | 155 Ų | 155 | 72.2 Ų | 72.2 | 72% | 0.724 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 120.8 | -178.4 | -170 | -151.9 | -166.4 | 0 | 0 | 112.5 | K129 | E81-K129 PolarHBondContact O-NZ 3.29Å; E81-K129 IonicContact OE2-NZ 3.28Å; E81-K129 PolarHBondContact OE2-NZ 3.08Å |
| 82 | G | 86.3 | Confident | 77.2 | Confident | 37 Ų | 37 | 81.7 Ų | 81.7 | 38% | 0.381 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 14.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A80 S109 C126 | A80-G82 PolarHBondContact O-N 3.48Å; G82-S109 WeakPolarHBondContact O-CB 3.46Å; G82-S109 PolarHBondContact O-N 3Å; G82-S109 PolarHBondContact O-OG 3.22Å; G82-C126 PolarHBondContact O-SG 3.48Å |
| 83 | M | 91.6 | Very high | 75.4 | Confident | 29 Ų | 29 | 82.5 Ų | 82.5 | 14% | 0.143 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156 | 171.1 | -57.7 | -177.9 | -171.9 | 0 | 0 | 111.5 | E67 C79 A80 C106 V107 C126 | E67-M83 HydrophobicContact CB-CE 3.9Å; E67-M83 HydrophobicContact CB-SD 4.1Å; E67-M83 PolarHBondContact N-SD 3.3Å; E67-M83 VanDerWaalsContact N-SD 3.39Å; C79-M83 HydrophobicContact CB-CB 3.89Å; A80-M83 HydrophobicContact CB-CE 4Å; A80-M83 HydrophobicContact CB-CG 4.47Å; A80-M83 HydrophobicContact CB-SD 3.9Å; A80-M83 VanDerWaalsContact O-CB 3.32Å; A80-M83 WeakPolarHBondContact O-CB 3.46Å; A80-M83 PolarHBondContact O-N 2.78Å; M83-C106 HydrophobicContact SD-CB 4.24Å; M83-V107 CarbonylContact C-O 3.58Å; M83-V107 VanDerWaalsContact CA-O 3.25Å; M83-V107 WeakPolarHBondContact CA-O 3.37Å; M83-V107 WeakPolarHBondContact CB-O 3.06Å; M83-C126 HydrophobicContact CE-CB 3.67Å |
| 84 | E | 91.3 | Very high | 73.5 | Confident | 90 Ų | 90 | 86.1 Ų | 86.1 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.4 | 175.8 | -74.4 | 164.8 | -162 | 0 | 0 | 110.5 | R86 V107 S109 | E84-R86 PolarHBondContact O-N 3.02Å; E84-R86 IonicContact OE2-NE 2.91Å; E84-R86 IonicContact OE2-NH2 2.81Å; E84-R86 PolarHBondContact OE2-NH2 3.49Å; E84-V107 PolarHBondContact N-O 2.87Å; E84-V107 PolarHBondContact O-N 2.93Å; E84-S109 PolarHBondContact OE1-OG 3.22Å |
| 85 | C | 89.8 | Confident | 72 | Confident | 58 Ų | 58 | 84.9 Ų | 84.9 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109.7 | 171.7 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | C71 | C71-C85 HydrophobicContact CB-CB 3.8Å; C71-C85 WeakPolarHBondContact CB-SG 3.42Å; C71-C85 PolarHBondContact O-SG 2.94Å; C71-C85 VanDerWaalsContact O-SG 3.38Å; C71-C85 WeakPolarHBondContact SG-CA 3.09Å; C71-C85 WeakPolarHBondContact SG-CB 3.29Å; C71-C85 CovalentContact SG-SG 2.02Å; C71-C85 PolarHBondContact SG-SG 2.73Å |
| 86 | R | 88.6 | Confident | 70.5 | Confident | 128 Ų | 128 | 87.2 Ų | 87.2 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.2 | 179.7 | -67 | -169.4 | 177.4 | -176.5 | 1.3 | 111.3 | E84 G104 V105 V107 | E84-R86 PolarHBondContact O-N 3.02Å; E84-R86 IonicContact OE2-NE 2.91Å; E84-R86 IonicContact OE2-NH2 2.81Å; E84-R86 PolarHBondContact OE2-NH2 3.49Å; R86-G104 CarbonylContact O-C 3.39Å; R86-G104 VanDerWaalsContact O-CA 3.28Å; R86-G104 WeakPolarHBondContact O-CA 3.45Å; R86-V105 PolarHBondContact N-O 3.44Å; R86-V105 PolarHBondContact O-N 2.68Å; R86-V107 HydrophobicContact CB-CG2 4.14Å; R86-V107 HydrophobicContact CG-CB 4.37Å; R86-V107 HydrophobicContact CG-CG2 4.3Å |
| 87 | V | 82.5 | Confident | 68.6 | Low | 76 Ų | 76 | 88.3 Ų | 88.3 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | trans | -94.3 | 129.4 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | D89 R102 | V87-D89 PolarHBondContact O-N 2.53Å; V87-D89 VanDerWaalsContact O-N 3.14Å; V87-R102 HydrophobicContact CG1-CB 4.22Å | ||
| 88 | T | 63.6 | Low | 66.7 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -75.4 | 4.5 | -168.4 | 36.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 89 | D | 56.2 | Low | 64.6 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -106.5 | 84.3 | -178 | -79.3 | -10.9 | 0 | 0 | 0 | 113.1 | V87 V91 R102 | V87-D89 PolarHBondContact O-N 2.53Å; V87-D89 VanDerWaalsContact O-N 3.14Å; D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 3.18Å; D89-R102 IonicContact OD2-CZ 3.82Å; D89-R102 IonicContact OD2-NH1 3.76Å; D89-R102 PolarHBondContact OD2-NH1 3.1Å |
| 90 | G | 49.5 | Very low | 62.5 | Low | 86 Ų | 86 | 110.9 Ų | 110.9 | 89% | 0.887 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 49 | 9.7 | 136.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||
| 91 | V | 44.6 | Very low | 60.8 | Low | 107 Ų | 107 | 113.9 Ų | 113.9 | 65% | 0.648 | 63% | 0.625 | S | S | * | * | trans | -136.4 | 120.6 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | D89 V93 | D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 3.18Å; V91-V93 HydrophobicContact CB-CG2 4.46Å; V91-V93 HydrophobicContact CG1-CG2 4.41Å; V91-V93 WeakPolarHBondContact O-CG2 3.24Å; V91-V93 PolarHBondContact O-N 2.92Å | ||
| 92 | E | 41.5 | Very low | 59.5 | Low | 201 Ų | 201 | 113.8 Ų | 113.8 | 94% | 0.939 | 62% | 0.618 | S | S | * | * | trans | -61 | 102.5 | 166.5 | -79 | -173.7 | 155 | 0 | 0 | 108.8 | ||||
| 93 | V | 42.1 | Very low | 58.9 | Low | 79 Ų | 79 | 115.1 Ų | 115.1 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | trans | -93.9 | 105.9 | 176.7 | -164.1 | 0 | 0 | 0 | 0 | 108.4 | V91 V97 | V91-V93 HydrophobicContact CB-CG2 4.46Å; V91-V93 HydrophobicContact CG1-CG2 4.41Å; V91-V93 WeakPolarHBondContact O-CG2 3.24Å; V91-V93 PolarHBondContact O-N 2.92Å; V93-V97 HydrophobicContact CG1-CB 3.55Å; V93-V97 HydrophobicContact CG1-CG1 4.01Å; V93-V97 WeakPolarHBondContact CG1-O 3.5Å | ||
| 94 | S | 41.4 | Very low | 58.7 | Low | 87 Ų | 87 | 113.9 Ų | 113.9 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | trans | -49.7 | 149.4 | 166.1 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | T96 V97 | S94-T96 PolarHBondContact O-N 2.97Å; S94-V97 PolarHBondContact O-N 3.24Å | ||
| 95 | A | 43.8 | Very low | 58.7 | Low | 101 Ų | 101 | 111.9 Ų | 111.9 | 84% | 0.835 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -3.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 96 | T | 43.3 | Very low | 58.8 | Low | 124 Ų | 124 | 109.1 Ų | 109.1 | 76% | 0.761 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -3.7 | -177.3 | 38.1 | 0 | 0 | 0 | 0 | 115.4 | S94 | S94-T96 PolarHBondContact O-N 2.97Š|
| 97 | V | 41.6 | Very low | 59 | Low | 72 Ų | 72 | 105.3 Ų | 105.3 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | trans | -116.3 | 72.4 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | V93 S94 R99 | V93-V97 HydrophobicContact CG1-CB 3.55Å; V93-V97 HydrophobicContact CG1-CG1 4.01Å; V93-V97 WeakPolarHBondContact CG1-O 3.5Å; S94-V97 PolarHBondContact O-N 3.24Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 HydrophobicContact CG1-CG 3.67Å; V97-R99 PolarHBondContact O-N 2.9Å | ||
| 98 | R | 45.8 | Very low | 59.5 | Low | 233 Ų | 233 | 101.9 Ų | 101.9 | 88% | 0.879 | 56% | 0.561 | S | S | * | * | trans | -65.9 | 86.9 | 164.3 | -80.1 | -176.7 | 173.9 | 165.6 | -1.3 | 109.3 | ||||
| 99 | R | 46.4 | Very low | 60.8 | Low | 198 Ų | 198 | 98.9 Ų | 98.9 | 75% | 0.747 | 55% | 0.545 | S | S | * | . | trans | -79.8 | 124.6 | 176.7 | -95.3 | 171.1 | -175.5 | -170.3 | 3.1 | 110.8 | V97 G101 | V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 HydrophobicContact CG1-CG 3.67Å; V97-R99 PolarHBondContact O-N 2.9Å; R99-G101 PolarHBondContact O-N 2.88Å | ||
| 100 | R | 46 | Very low | 62.3 | Low | 240 Ų | 240 | 96 Ų | 96 | 91% | 0.906 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -4 | 109.6 | 153.8 | -68.4 | 173.9 | 174.1 | 173.2 | -3.1 | 115.7 | R102 | R100-R102 PolarHBondContact O-N 3.05Š|
| 101 | G | 53.1 | Low | 64.1 | Low | 67 Ų | 67 | 96.2 Ų | 96.2 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 38.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | R99 | R99-G101 PolarHBondContact O-N 2.88Š|
| 102 | R | 60 | Low | 66.3 | Low | 153 Ų | 153 | 96 Ų | 96 | 58% | 0.577 | 52% | 0.518 | S | S | * | . | trans | -113.5 | 116.5 | 170 | -70 | -173.2 | 178.8 | -161.3 | -6.9 | 110.1 | V87 D89 R100 | V87-R102 HydrophobicContact CG1-CB 4.22Å; D89-R102 IonicContact OD2-CZ 3.82Å; D89-R102 IonicContact OD2-NH1 3.76Å; D89-R102 PolarHBondContact OD2-NH1 3.1Å; R100-R102 PolarHBondContact O-N 3.05Å | ||
| 103 | S | 74.6 | Confident | 68.6 | Low | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | trans | -64.1 | 129.5 | 172.9 | -44 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 104 | G | 87.1 | Confident | 71 | Confident | 3 Ų | 3 | 85.5 Ų | 85.5 | 3% | 0.031 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -174.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q70 C71 R86 | Q70-G104 WeakPolarHBondContact CA-O 3.48Å; C71-G104 PolarHBondContact N-O 3.22Å; C71-G104 PolarHBondContact O-N 2.67Å; R86-G104 CarbonylContact O-C 3.39Å; R86-G104 VanDerWaalsContact O-CA 3.28Å; R86-G104 WeakPolarHBondContact O-CA 3.45Å |
| 105 | V | 91.5 | Very high | 73.4 | Confident | 49 Ų | 49 | 81.8 Ų | 81.8 | 30% | 0.297 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.3 | 175 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | G68 E69 C71 R86 V107 | G68-V105 VanDerWaalsContact C-CG1 3.41Å; G68-V105 VanDerWaalsContact CA-CG1 3.44Å; E69-V105 CarbonylContact O-C 3.56Å; E69-V105 VanDerWaalsContact O-CA 3.31Å; E69-V105 WeakPolarHBondContact O-CA 3.29Å; C71-V105 PolarHBondContact SG-N 3Å; R86-V105 PolarHBondContact N-O 3.44Å; R86-V105 PolarHBondContact O-N 2.68Å; V105-V107 PolarHBondContact O-N 2.8Å |
| 106 | C | 91.6 | Very high | 75.7 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 125.5 | 174.1 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | S65 G66 E67 G68 E69 C71 C79 M83 | S65-C106 WeakPolarHBondContact CB-SG 3.47Å; G66-C106 WeakPolarHBondContact O-CB 3.3Å; E67-C106 WeakPolarHBondContact CA-O 3.31Å; G68-C106 PolarHBondContact N-O 3.44Å; E69-C106 PolarHBondContact O-N 2.9Å; C71-C106 VanDerWaalsContact CB-SG 3.54Å; C79-C106 WeakPolarHBondContact CA-SG 3.35Å; C79-C106 HydrophobicContact CB-CB 3.8Å; C79-C106 WeakPolarHBondContact CB-SG 3.4Å; C79-C106 WeakPolarHBondContact SG-CA 3.4Å; C79-C106 WeakPolarHBondContact SG-CB 3.36Å; C79-C106 CovalentContact SG-SG 2.03Å; C79-C106 PolarHBondContact SG-SG 2.8Å; M83-C106 HydrophobicContact SD-CB 4.24Å |
| 107 | V | 92.5 | Very high | 78.1 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 29% | 0.285 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.7 | 178.3 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | M83 E84 R86 V105 S109 | M83-V107 CarbonylContact C-O 3.58Å; M83-V107 VanDerWaalsContact CA-O 3.25Å; M83-V107 WeakPolarHBondContact CA-O 3.37Å; M83-V107 WeakPolarHBondContact CB-O 3.06Å; E84-V107 PolarHBondContact N-O 2.87Å; E84-V107 PolarHBondContact O-N 2.93Å; R86-V107 HydrophobicContact CB-CG2 4.14Å; R86-V107 HydrophobicContact CG-CB 4.37Å; R86-V107 HydrophobicContact CG-CG2 4.3Å; V105-V107 PolarHBondContact O-N 2.8Å; V107-S109 PolarHBondContact O-N 2.86Å |
| 108 | C | 93.1 | Very high | 80.4 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 3% | 0.027 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 135.5 | 176 | -164.2 | 0 | 0 | 0 | 0 | 111.2 | E67 S110 N124 C126 | E67-C108 WeakPolarHBondContact OE1-CB 3.43Å; E67-C108 PolarHBondContact OE1-N 3.17Å; C108-S110 PolarHBondContact O-N 3.32Å; C108-S110 PolarHBondContact SG-O 3.34Å; C108-N124 HydrophobicContact CB-CB 4.38Å; C108-C126 VanDerWaalsContact CA-SG 3.51Å; C108-C126 HydrophobicContact CB-CB 3.69Å; C108-C126 WeakPolarHBondContact CB-SG 3.4Å; C108-C126 WeakPolarHBondContact SG-CB 3.36Å; C108-C126 PolarHBondContact SG-N 2.92Å; C108-C126 CovalentContact SG-SG 2.03Å; C108-C126 PolarHBondContact SG-SG 2.87Å |
| 109 | S | 90.9 | Very high | 82.5 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 42% | 0.42 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -63 | -24.4 | 179.8 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | G82 E84 V107 | G82-S109 WeakPolarHBondContact O-CB 3.46Å; G82-S109 PolarHBondContact O-N 3Å; G82-S109 PolarHBondContact O-OG 3.22Å; E84-S109 PolarHBondContact OE1-OG 3.22Å; V107-S109 PolarHBondContact O-N 2.86Å |
| 110 | S | 87.8 | Confident | 84.7 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | trans | -116.4 | 129.6 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | C108 E112 N124 | C108-S110 PolarHBondContact O-N 3.32Å; C108-S110 PolarHBondContact SG-O 3.34Å; S110-E112 PolarHBondContact OG-N 2.92Å; S110-N124 WeakPolarHBondContact O-CB 3.04Å | ||
| 111 | A | 88.4 | Confident | 86.9 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | trans | -96.4 | 4.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 112 | E | 89.1 | Confident | 88.8 | Confident | 104 Ų | 104 | 48.3 Ų | 48.3 | 49% | 0.486 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -77.7 | 135.5 | -178.2 | -64.4 | -172.6 | 161.5 | 0 | 0 | 111.3 | S110 R123 N124 | S110-E112 PolarHBondContact OG-N 2.92Å; E112-R123 CarbonylContact C-O 3.59Å; E112-N124 WeakPolarHBondContact O-CA 3.48Å |
| 113 | P | 90.9 | Very high | 90.4 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | trans | -62.8 | 154 | 176.6 | 26.6 | -33.6 | 0 | 0 | 0 | 111.5 | Y122 R123 G149 | P113-Y122 CarbonylContact C-O 3.07Å; P113-Y122 WeakPolarHBondContact CA-O 3.39Å; P113-Y122 WeakPolarHBondContact CB-O 3.36Å; P113-R123 VanDerWaalsContact CA-O 3.28Å; P113-R123 WeakPolarHBondContact CA-O 3.36Å; P113-G149 CarbonylContact O-C 3.53Å; P113-G149 WeakPolarHBondContact O-CA 3.39Å; P113-G149 PolarHBondContact O-N 3.42Å | ||
| 114 | V | 92 | Very high | 91.2 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 154.3 | -178.7 | -61 | 0 | 0 | 0 | 0 | 111.5 | S121 Y122 N124 I125 L128 F145 G149 | V114-S121 CarbonylContact O-C 3.46Å; V114-S121 WeakPolarHBondContact O-CA 3.41Å; V114-Y122 PolarHBondContact N-O 2.85Å; V114-Y122 PolarHBondContact O-N 2.88Å; V114-N124 WeakPolarHBondContact CG2-O 3.42Å; V114-I125 HydrophobicContact CG1-CB 4.32Å; V114-L128 HydrophobicContact CG2-CB 3.88Å; V114-L128 HydrophobicContact CG2-CD1 3.68Å; V114-L128 HydrophobicContact CG2-CG 4.45Å; V114-F145 HydrophobicContact CB-CD2 3.7Å; V114-F145 HydrophobicContact CB-CE2 3.54Å; V114-F145 HydrophobicContact CG1-CD2 3.95Å; V114-F145 HydrophobicContact CG1-CE2 3.46Å; V114-F145 VanDerWaalsContact CG1-CE2 3.46Å; V114-F145 HydrophobicContact CG1-CZ 4.46Å; V114-F145 HydrophobicContact CG2-CD2 4.31Å; V114-G149 CarbonylContact C-O 3.59Å; V114-G149 VanDerWaalsContact CA-O 3.3Å; V114-G149 WeakPolarHBondContact CA-O 2.92Å |
| 115 | C | 92.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.4 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | I146 Q147 G149 C151 | C115-I146 PolarHBondContact O-N 2.91Å; C115-Q147 HydrophobicContact CB-CG 3.43Å; C115-Q147 VanDerWaalsContact CB-CG 3.43Å; C115-Q147 PolarHBondContact N-O 2.94Å; C115-G149 PolarHBondContact N-O 2.95Å; C115-G149 VanDerWaalsContact N-O 3.07Å; C115-C151 WeakPolarHBondContact CA-SG 3.37Å; C115-C151 HydrophobicContact CB-CB 4.02Å; C115-C151 WeakPolarHBondContact CB-SG 3.14Å; C115-C151 WeakPolarHBondContact SG-CA 3.44Å; C115-C151 WeakPolarHBondContact SG-CB 3.12Å; C115-C151 CovalentContact SG-SG 2.03Å; C115-C151 PolarHBondContact SG-SG 2.95Å |
| 116 | G | 92.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 162.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D118 G119 V120 I144 | G116-D118 VanDerWaalsContact C-OD1 3.31Å; G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; G116-D118 PolarHBondContact O-N 2.9Å; G116-G119 PolarHBondContact O-N 2.83Å; G116-V120 PolarHBondContact N-O 3.4Å; G116-I144 CarbonylContact C-O 3.44Å; G116-I144 WeakPolarHBondContact CA-O 3.28Å |
| 117 | S | 92.2 | Very high | 91.6 | Very high | 58 Ų | 58 | 47.4 Ų | 47.4 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.5 | 175.3 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | G119 I144 I146 | S117-G119 VanDerWaalsContact C-N 3.29Å; S117-I144 PolarHBondContact N-O 2.97Å; S117-I144 PolarHBondContact OG-N 2.89Å; S117-I146 VanDerWaalsContact CA-CG1 3.5Å |
| 118 | D | 91.6 | Very high | 91.7 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.6 | 172.2 | 58.7 | -5.8 | 0 | 0 | 0 | 113.2 | G116 V120 Y122 | G116-D118 VanDerWaalsContact C-OD1 3.31Å; G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; G116-D118 PolarHBondContact O-N 2.9Å; D118-V120 HydrophobicContact CB-CG2 4.37Å; D118-V120 PolarHBondContact O-N 2.91Å; D118-V120 PolarHBondContact OD1-N 3.06Å; D118-Y122 PolarHBondContact OD2-OH 2.77Å |
| 119 | G | 88.6 | Confident | 91.6 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 75.6 | 9.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G116 S117 C151 | G116-G119 PolarHBondContact O-N 2.83Å; S117-G119 VanDerWaalsContact C-N 3.29Å; G119-C151 WeakPolarHBondContact O-CB 3.49Å; G119-C151 PolarHBondContact O-SG 2.82Å |
| 120 | V | 92.4 | Very high | 91.6 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | trans | -93.9 | 138.5 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | G116 D118 Y122 C151 | G116-V120 PolarHBondContact N-O 3.4Å; D118-V120 HydrophobicContact CB-CG2 4.37Å; D118-V120 PolarHBondContact O-N 2.91Å; D118-V120 PolarHBondContact OD1-N 3.06Å; V120-Y122 HydrophobicContact CB-CE2 4Å; V120-Y122 HydrophobicContact CG1-CE2 4.25Å; V120-Y122 VanDerWaalsContact O-CD2 3.31Å; V120-Y122 WeakPolarHBondContact O-CD2 3.09Å; V120-Y122 WeakPolarHBondContact O-CE2 3.47Å; V120-C151 PolarHBondContact O-SG 2.89Å | ||
| 121 | S | 92.6 | Very high | 91.9 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.4 | 173.5 | -54 | 0 | 0 | 0 | 0 | 110.2 | V114 A150 C151 | V114-S121 CarbonylContact O-C 3.46Å; V114-S121 WeakPolarHBondContact O-CA 3.41Å; S121-A150 WeakPolarHBondContact OG-CA 3.07Å; S121-A150 WeakPolarHBondContact OG-CB 3.23Å; S121-C151 PolarHBondContact OG-N 2.8Å |
| 122 | Y | 93.6 | Very high | 92.1 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 150.8 | 176.3 | -61.4 | -88.8 | 0 | 0 | 0 | 109.6 | P113 V114 D118 V120 N124 E127 L128 V131 V143 | P113-Y122 CarbonylContact C-O 3.07Å; P113-Y122 WeakPolarHBondContact CA-O 3.39Å; P113-Y122 WeakPolarHBondContact CB-O 3.36Å; V114-Y122 PolarHBondContact N-O 2.85Å; V114-Y122 PolarHBondContact O-N 2.88Å; D118-Y122 PolarHBondContact OD2-OH 2.77Å; V120-Y122 HydrophobicContact CB-CE2 4Å; V120-Y122 HydrophobicContact CG1-CE2 4.25Å; V120-Y122 VanDerWaalsContact O-CD2 3.31Å; V120-Y122 WeakPolarHBondContact O-CD2 3.09Å; V120-Y122 WeakPolarHBondContact O-CE2 3.47Å; Y122-N124 VanDerWaalsContact C-N 3.28Å; Y122-N124 PolarHBondContact O-N 2.73Å; Y122-E127 HydrophobicContact CD1-CG 4.1Å; Y122-L128 HydrophobicContact CD1-CB 4.31Å; Y122-L128 HydrophobicContact CD2-CB 3.99Å; Y122-L128 HydrophobicContact CD2-CD1 3.8Å; Y122-L128 HydrophobicContact CD2-CG 3.97Å; Y122-L128 HydrophobicContact CE2-CD1 4.21Å; Y122-L128 HydrophobicContact CE2-CG 4.2Å; Y122-L128 HydrophobicContact CG-CB 3.84Å; Y122-L128 HydrophobicContact CG-CD1 4.47Å; Y122-L128 HydrophobicContact CG-CG 4.34Å; Y122-V131 HydrophobicContact CE1-CB 3.95Å; Y122-V131 HydrophobicContact CE1-CG1 4.13Å; Y122-V131 HydrophobicContact CE1-CG2 3.84Å; Y122-V143 HydrophobicContact CE2-CG1 3.89Å |
| 123 | R | 92.6 | Very high | 92.1 | Very high | 156 Ų | 156 | 45.9 Ų | 45.9 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -64 | -34.4 | -178 | -67.1 | -179.9 | -70.2 | 151.6 | 2.2 | 112.5 | E112 P113 E127 | E112-R123 CarbonylContact C-O 3.59Å; P113-R123 VanDerWaalsContact CA-O 3.28Å; P113-R123 WeakPolarHBondContact CA-O 3.36Å; R123-E127 VanDerWaalsContact CB-OE2 3.22Å; R123-E127 WeakPolarHBondContact CB-OE2 3.14Å; R123-E127 WeakPolarHBondContact CG-OE2 3.07Å; R123-E127 IonicContact CZ-OE1 2.78Å; R123-E127 PolarHBondContact N-OE2 2.83Å; R123-E127 IonicContact NE-OE1 2.75Å; R123-E127 PolarHBondContact NE-OE1 2.86Å; R123-E127 IonicContact NE-OE2 2.79Å; R123-E127 PolarHBondContact NE-OE2 3.44Å; R123-E127 IonicContact NH2-OE1 3.21Å; R123-E127 PolarHBondContact NH2-OE1 2.83Å |
| 124 | N | 92.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -157.7 | 174.2 | 176.3 | 60.6 | 44.4 | 0 | 0 | 0 | 111.4 | E67 C108 S110 E112 V114 Y122 C126 E127 L128 | E67-N124 PolarHBondContact OE1-ND2 2.85Å; E67-N124 VanDerWaalsContact OE1-ND2 3.12Å; E67-N124 PolarHBondContact OE2-ND2 3.48Å; C108-N124 HydrophobicContact CB-CB 4.38Å; S110-N124 WeakPolarHBondContact O-CB 3.04Å; E112-N124 WeakPolarHBondContact O-CA 3.48Å; V114-N124 WeakPolarHBondContact CG2-O 3.42Å; Y122-N124 VanDerWaalsContact C-N 3.28Å; Y122-N124 PolarHBondContact O-N 2.73Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 2.83Å; N124-C126 WeakPolarHBondContact OD1-CA 3.43Å; N124-C126 WeakPolarHBondContact OD1-CB 3.47Å; N124-C126 PolarHBondContact OD1-N 3.42Å; N124-E127 PolarHBondContact O-N 3.45Å; N124-E127 PolarHBondContact OD1-N 3.05Å; N124-L128 PolarHBondContact O-N 2.96Å |
| 125 | I | 92.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -30.2 | 178.9 | -169.1 | 59.6 | 0 | 0 | 0 | 113 | V114 L128 K129 F145 | V114-I125 HydrophobicContact CG1-CB 4.32Å; I125-L128 PolarHBondContact O-N 3.41Å; I125-K129 WeakPolarHBondContact O-CG 3.45Å; I125-K129 PolarHBondContact O-N 3.05Å; I125-F145 HydrophobicContact CD1-CB 3.91Å; I125-F145 HydrophobicContact CD1-CD1 4.49Å; I125-F145 HydrophobicContact CD1-CD2 3.74Å; I125-F145 HydrophobicContact CD1-CE2 4.4Å; I125-F145 HydrophobicContact CD1-CG 3.78Å |
| 126 | C | 93 | Very high | 91.9 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.4 | -38.4 | -179.7 | -58 | 0 | 0 | 0 | 0 | 112 | G82 M83 C108 N124 K129 R130 | G82-C126 PolarHBondContact O-SG 3.48Å; M83-C126 HydrophobicContact CE-CB 3.67Å; C108-C126 VanDerWaalsContact CA-SG 3.51Å; C108-C126 HydrophobicContact CB-CB 3.69Å; C108-C126 WeakPolarHBondContact CB-SG 3.4Å; C108-C126 WeakPolarHBondContact SG-CB 3.36Å; C108-C126 PolarHBondContact SG-N 2.92Å; C108-C126 CovalentContact SG-SG 2.03Å; C108-C126 PolarHBondContact SG-SG 2.87Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 2.83Å; N124-C126 WeakPolarHBondContact OD1-CA 3.43Å; N124-C126 WeakPolarHBondContact OD1-CB 3.47Å; N124-C126 PolarHBondContact OD1-N 3.42Å; C126-K129 PolarHBondContact O-N 3.27Å; C126-R130 PolarHBondContact O-N 3.37Å |
| 127 | E | 92.9 | Very high | 91.6 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 173.9 | -172.9 | 174.3 | -128.4 | 0 | 0 | 111.6 | Y122 R123 N124 R130 V131 | Y122-E127 HydrophobicContact CD1-CG 4.1Å; R123-E127 VanDerWaalsContact CB-OE2 3.22Å; R123-E127 WeakPolarHBondContact CB-OE2 3.14Å; R123-E127 WeakPolarHBondContact CG-OE2 3.07Å; R123-E127 IonicContact CZ-OE1 2.78Å; R123-E127 PolarHBondContact N-OE2 2.83Å; R123-E127 IonicContact NE-OE1 2.75Å; R123-E127 PolarHBondContact NE-OE1 2.86Å; R123-E127 IonicContact NE-OE2 2.79Å; R123-E127 PolarHBondContact NE-OE2 3.44Å; R123-E127 IonicContact NH2-OE1 3.21Å; R123-E127 PolarHBondContact NH2-OE1 2.83Å; N124-E127 PolarHBondContact O-N 3.45Å; N124-E127 PolarHBondContact OD1-N 3.05Å; E127-R130 PolarHBondContact O-N 2.85Å; E127-V131 PolarHBondContact O-N 3.42Å |
| 128 | L | 93.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 174.8 | -175.7 | 157.7 | 0 | 0 | 0 | 110.9 | V114 Y122 N124 I125 R130 V131 S132 V143 F145 | V114-L128 HydrophobicContact CG2-CB 3.88Å; V114-L128 HydrophobicContact CG2-CD1 3.68Å; V114-L128 HydrophobicContact CG2-CG 4.45Å; Y122-L128 HydrophobicContact CD1-CB 4.31Å; Y122-L128 HydrophobicContact CD2-CB 3.99Å; Y122-L128 HydrophobicContact CD2-CD1 3.8Å; Y122-L128 HydrophobicContact CD2-CG 3.97Å; Y122-L128 HydrophobicContact CE2-CD1 4.21Å; Y122-L128 HydrophobicContact CE2-CG 4.2Å; Y122-L128 HydrophobicContact CG-CB 3.84Å; Y122-L128 HydrophobicContact CG-CD1 4.47Å; Y122-L128 HydrophobicContact CG-CG 4.34Å; N124-L128 PolarHBondContact O-N 2.96Å; I125-L128 PolarHBondContact O-N 3.41Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.87Å; L128-V131 PolarHBondContact O-N 2.94Å; L128-S132 WeakPolarHBondContact O-CB 3.27Å; L128-S132 PolarHBondContact O-N 3.36Å; L128-V143 HydrophobicContact CD1-CG1 4.42Å; L128-V143 HydrophobicContact CD2-CG1 4.46Å; L128-V143 WeakPolarHBondContact CD2-O 3.35Å; L128-V143 HydrophobicContact CG-CG1 4.15Å; L128-F145 HydrophobicContact CD1-CB 4.14Å; L128-F145 HydrophobicContact CD1-CD2 4.31Å; L128-F145 HydrophobicContact CD2-CB 4.28Å |
| 129 | K | 92.2 | Very high | 91.5 | Very high | 70 Ų | 70 | 67.8 Ų | 67.8 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 176.2 | -78.9 | -173.2 | 176.2 | -171.1 | 0 | 111.5 | E81 I125 C126 V131 S132 N133 | E81-K129 PolarHBondContact O-NZ 3.29Å; E81-K129 IonicContact OE2-NZ 3.28Å; E81-K129 PolarHBondContact OE2-NZ 3.08Å; I125-K129 WeakPolarHBondContact O-CG 3.45Å; I125-K129 PolarHBondContact O-N 3.05Å; C126-K129 PolarHBondContact O-N 3.27Å; K129-V131 VanDerWaalsContact C-N 3.35Å; K129-V131 PolarHBondContact O-N 2.83Å; K129-S132 WeakPolarHBondContact O-CB 3.35Å; K129-S132 PolarHBondContact O-N 2.84Å; K129-N133 WeakPolarHBondContact O-CB 3.27Å; K129-N133 PolarHBondContact O-N 3Å; K129-N133 PolarHBondContact O-ND2 2.83Å |
| 130 | R | 91.1 | Very high | 91.6 | Very high | 124 Ų | 124 | 70.7 Ų | 70.7 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 178 | -167.7 | 179.9 | 73.1 | 163.8 | 1 | 112.2 | L49 C126 E127 L128 R134 | L49-R130 HydrophobicContact CB-CG 3.77Å; L49-R130 HydrophobicContact CD1-CG 4.49Å; C126-R130 PolarHBondContact O-N 3.37Å; E127-R130 PolarHBondContact O-N 2.85Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.87Å; R130-R134 WeakPolarHBondContact O-CB 3.37Å; R130-R134 PolarHBondContact O-N 2.86Å; R130-R134 VanDerWaalsContact O-N 3.09Å |
| 131 | V | 93.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 72.7 Ų | 72.7 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | Y122 E127 L128 K129 R134 A135 V143 | Y122-V131 HydrophobicContact CE1-CB 3.95Å; Y122-V131 HydrophobicContact CE1-CG1 4.13Å; Y122-V131 HydrophobicContact CE1-CG2 3.84Å; E127-V131 PolarHBondContact O-N 3.42Å; L128-V131 PolarHBondContact O-N 2.94Å; K129-V131 VanDerWaalsContact C-N 3.35Å; K129-V131 PolarHBondContact O-N 2.83Å; V131-R134 PolarHBondContact O-N 2.76Å; V131-A135 PolarHBondContact O-N 3.26Å; V131-V143 HydrophobicContact CG1-CG2 4.11Å |
| 132 | S | 92.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 72.6 Ų | 72.6 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 175.8 | -161.7 | 0 | 0 | 0 | 0 | 112.2 | L128 K129 R134 A135 M136 P142 V143 | L128-S132 WeakPolarHBondContact O-CB 3.27Å; L128-S132 PolarHBondContact O-N 3.36Å; K129-S132 WeakPolarHBondContact O-CB 3.35Å; K129-S132 PolarHBondContact O-N 2.84Å; S132-R134 VanDerWaalsContact C-N 3.31Å; S132-R134 PolarHBondContact O-N 3.49Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 3.46Å; S132-A135 VanDerWaalsContact O-N 3.16Å; S132-M136 WeakPolarHBondContact O-CG 3.4Å; S132-M136 PolarHBondContact O-N 2.95Å; S132-P142 VanDerWaalsContact OG-CB 3.25Å; S132-P142 WeakPolarHBondContact OG-CB 3.15Å; S132-V143 VanDerWaalsContact CB-O 3.28Å; S132-V143 WeakPolarHBondContact CB-O 3.28Å; S132-V143 PolarHBondContact OG-N 2.93Å; S132-V143 VanDerWaalsContact OG-N 3.16Å; S132-V143 PolarHBondContact OG-O 3.17Å |
| 133 | N | 90.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 72.4 Ų | 72.4 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.2 | -70.5 | -13.8 | 0 | 0 | 0 | 111.7 | L49 K129 M136 K137 | L49-N133 WeakPolarHBondContact O-CB 3.38Å; L49-N133 PolarHBondContact O-ND2 3.16Å; K129-N133 WeakPolarHBondContact O-CB 3.27Å; K129-N133 PolarHBondContact O-N 3Å; K129-N133 PolarHBondContact O-ND2 2.83Å; N133-M136 PolarHBondContact O-N 2.86Å; N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.17Å; N133-K137 VanDerWaalsContact O-N 3.09Å |
| 134 | R | 90.9 | Very high | 91.7 | Very high | 151 Ų | 151 | 69.9 Ų | 69.9 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 175.1 | -172.3 | 178.2 | 179.6 | 177.2 | 0.6 | 111.8 | L49 R130 V131 S132 K137 L138 | L49-R134 HydrophobicContact CD1-CB 4.26Å; L49-R134 HydrophobicContact CD1-CG 4.31Å; L49-R134 HydrophobicContact CD2-CB 3.81Å; L49-R134 HydrophobicContact CD2-CG 4.11Å; R130-R134 WeakPolarHBondContact O-CB 3.37Å; R130-R134 PolarHBondContact O-N 2.86Å; R130-R134 VanDerWaalsContact O-N 3.09Å; V131-R134 PolarHBondContact O-N 2.76Å; S132-R134 VanDerWaalsContact C-N 3.31Å; S132-R134 PolarHBondContact O-N 3.49Å; R134-K137 PolarHBondContact O-N 3.27Å; R134-L138 HydrophobicContact CG-CD1 4.27Å; R134-L138 WeakPolarHBondContact O-CG 3.44Å; R134-L138 PolarHBondContact O-N 3.04Å; R134-L138 VanDerWaalsContact O-N 3.1Å |
| 135 | A | 90.4 | Very high | 91.6 | Very high | 9 Ų | 9 | 73.6 Ų | 73.6 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V131 S132 K137 L138 Q139 Q140 P141 | V131-A135 PolarHBondContact O-N 3.26Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 3.46Å; S132-A135 VanDerWaalsContact O-N 3.16Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.48Å; A135-L138 CarbonylContact O-C 3.55Å; A135-L138 WeakPolarHBondContact O-CA 3.43Å; A135-L138 PolarHBondContact O-N 3.28Å; A135-Q139 PolarHBondContact O-N 3.21Å; A135-Q140 CarbonylContact C-O 3.57Å; A135-Q140 HydrophobicContact CB-CB 4.12Å; A135-Q140 WeakPolarHBondContact O-CA 3.45Å; A135-Q140 WeakPolarHBondContact O-CB 3.36Å; A135-Q140 PolarHBondContact O-N 2.86Å; A135-P141 WeakPolarHBondContact CB-O 3.16Å |
| 136 | M | 89.3 | Confident | 91.5 | Very high | 111 Ų | 111 | 76.2 Ų | 76.2 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 177.2 | -70 | 179.7 | 65.6 | 0 | 0 | 112.5 | S132 N133 L138 Q139 P142 | S132-M136 WeakPolarHBondContact O-CG 3.4Å; S132-M136 PolarHBondContact O-N 2.95Å; N133-M136 PolarHBondContact O-N 2.86Å; M136-L138 VanDerWaalsContact C-N 3.3Å; M136-L138 PolarHBondContact O-N 3.4Å; M136-Q139 PolarHBondContact O-N 3.19Å; M136-P142 HydrophobicContact CG-CB 3.75Å; M136-P142 HydrophobicContact CG-CG 4.31Å; M136-P142 HydrophobicContact SD-CB 4.05Å |
| 137 | K | 85.7 | Confident | 91 | Very high | 97 Ų | 97 | 79.7 Ų | 79.7 | 42% | 0.422 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -33.2 | 176.8 | -75 | -173.8 | 169.4 | -169.6 | 0 | 113.1 | A46 C48 L49 N133 R134 A135 Q139 | A46-K137 VanDerWaalsContact O-CD 3.26Å; A46-K137 WeakPolarHBondContact O-CD 3.47Å; A46-K137 WeakPolarHBondContact O-CE 3.47Å; A46-K137 PolarHBondContact O-NZ 2.9Å; C48-K137 WeakPolarHBondContact O-CE 3.07Å; C48-K137 PolarHBondContact O-NZ 3.33Å; L49-K137 HydrophobicContact CD2-CD 4.2Å; N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.17Å; N133-K137 VanDerWaalsContact O-N 3.09Å; R134-K137 PolarHBondContact O-N 3.27Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.48Å; K137-Q139 PolarHBondContact O-N 2.69Å |
| 138 | L | 90.1 | Very high | 90.7 | Very high | 103 Ų | 103 | 86.5 Ų | 86.5 | 54% | 0.539 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 9.8 | 173 | -65.3 | 174.2 | 0 | 0 | 0 | 113.1 | R134 A135 M136 Q140 | R134-L138 HydrophobicContact CG-CD1 4.27Å; R134-L138 WeakPolarHBondContact O-CG 3.44Å; R134-L138 PolarHBondContact O-N 3.04Å; R134-L138 VanDerWaalsContact O-N 3.1Å; A135-L138 CarbonylContact O-C 3.55Å; A135-L138 WeakPolarHBondContact O-CA 3.43Å; A135-L138 PolarHBondContact O-N 3.28Å; M136-L138 VanDerWaalsContact C-N 3.3Å; M136-L138 PolarHBondContact O-N 3.4Å; L138-Q140 HydrophobicContact CB-CG 4.12Å; L138-Q140 PolarHBondContact O-N 2.58Å |
| 139 | Q | 91 | Very high | 90.2 | Very high | 188 Ų | 188 | 86.4 Ų | 86.4 | 88% | 0.879 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.1 | -174 | -56.8 | -179.9 | -1 | 0 | 0 | 113 | A135 M136 K137 | A135-Q139 PolarHBondContact O-N 3.21Å; M136-Q139 PolarHBondContact O-N 3.19Å; K137-Q139 PolarHBondContact O-N 2.69Å |
| 140 | Q | 92.3 | Very high | 89.9 | Confident | 113 Ų | 113 | 84.4 Ų | 84.4 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 157.6 | 174 | -64.9 | 177.2 | -11 | 0 | 0 | 110.3 | A135 L138 | A135-Q140 CarbonylContact C-O 3.57Å; A135-Q140 HydrophobicContact CB-CB 4.12Å; A135-Q140 WeakPolarHBondContact O-CA 3.45Å; A135-Q140 WeakPolarHBondContact O-CB 3.36Å; A135-Q140 PolarHBondContact O-N 2.86Å; L138-Q140 HydrophobicContact CB-CG 4.12Å; L138-Q140 PolarHBondContact O-N 2.58Å |
| 141 | P | 92 | Very high | 89.5 | Confident | 113 Ų | 113 | 79.7 Ų | 79.7 | 73% | 0.734 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 133.7 | 175.3 | -24.2 | 34.1 | 0 | 0 | 0 | 111.7 | A135 | A135-P141 WeakPolarHBondContact CB-O 3.16Š|
| 142 | P | 94 | Very high | 88.5 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 147.6 | 175.7 | 24.5 | -31.7 | 0 | 0 | 0 | 111.2 | S132 M136 I144 | S132-P142 VanDerWaalsContact OG-CB 3.25Å; S132-P142 WeakPolarHBondContact OG-CB 3.15Å; M136-P142 HydrophobicContact CG-CB 3.75Å; M136-P142 HydrophobicContact CG-CG 4.31Å; M136-P142 HydrophobicContact SD-CB 4.05Å; P142-I144 PolarHBondContact O-N 3.1Å |
| 143 | V | 93.9 | Very high | 87 | Confident | 15 Ų | 15 | 88.1 Ų | 88.1 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 119.7 | 167.6 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | Y122 L128 V131 S132 | Y122-V143 HydrophobicContact CE2-CG1 3.89Å; L128-V143 HydrophobicContact CD1-CG1 4.42Å; L128-V143 HydrophobicContact CD2-CG1 4.46Å; L128-V143 WeakPolarHBondContact CD2-O 3.35Å; L128-V143 HydrophobicContact CG-CG1 4.15Å; V131-V143 HydrophobicContact CG1-CG2 4.11Å; S132-V143 VanDerWaalsContact CB-O 3.28Å; S132-V143 WeakPolarHBondContact CB-O 3.28Å; S132-V143 PolarHBondContact OG-N 2.93Å; S132-V143 VanDerWaalsContact OG-N 3.16Å; S132-V143 PolarHBondContact OG-O 3.17Å |
| 144 | I | 92.6 | Very high | 85.3 | Confident | 103 Ų | 103 | 90.1 Ų | 90.1 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -96 | 138.4 | -178.8 | -57 | 170.9 | 0 | 0 | 0 | 108.6 | G116 S117 P142 I146 | G116-I144 CarbonylContact C-O 3.44Å; G116-I144 WeakPolarHBondContact CA-O 3.28Å; S117-I144 PolarHBondContact N-O 2.97Å; S117-I144 PolarHBondContact OG-N 2.89Å; P142-I144 PolarHBondContact O-N 3.1Å; I144-I146 PolarHBondContact O-N 3.22Å |
| 145 | F | 91.4 | Very high | 83.8 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 37% | 0.373 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 114.2 | 171.6 | 170.4 | -109.3 | 0 | 0 | 0 | 110.5 | V114 I125 L128 Q147 R148 | V114-F145 HydrophobicContact CB-CD2 3.7Å; V114-F145 HydrophobicContact CB-CE2 3.54Å; V114-F145 HydrophobicContact CG1-CD2 3.95Å; V114-F145 HydrophobicContact CG1-CE2 3.46Å; V114-F145 VanDerWaalsContact CG1-CE2 3.46Å; V114-F145 HydrophobicContact CG1-CZ 4.46Å; V114-F145 HydrophobicContact CG2-CD2 4.31Å; I125-F145 HydrophobicContact CD1-CB 3.91Å; I125-F145 HydrophobicContact CD1-CD1 4.49Å; I125-F145 HydrophobicContact CD1-CD2 3.74Å; I125-F145 HydrophobicContact CD1-CE2 4.4Å; I125-F145 HydrophobicContact CD1-CG 3.78Å; L128-F145 HydrophobicContact CD1-CB 4.14Å; L128-F145 HydrophobicContact CD1-CD2 4.31Å; L128-F145 HydrophobicContact CD2-CB 4.28Å; F145-Q147 WeakPolarHBondContact CE2-O 3.48Å; F145-R148 HydrophobicContact CE2-CG 4.39Å; F145-R148 HydrophobicContact CZ-CB 4.48Å; F145-R148 HydrophobicContact CZ-CG 3.68Å |
| 146 | I | 88.7 | Confident | 82.2 | Confident | 101 Ų | 101 | 94.5 Ų | 94.5 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -46.4 | -176.1 | -63.2 | -60.2 | 0 | 0 | 0 | 111.9 | C115 S117 I144 | C115-I146 PolarHBondContact O-N 2.91Å; S117-I146 VanDerWaalsContact CA-CG1 3.5Å; I144-I146 PolarHBondContact O-N 3.22Å |
| 147 | Q | 83.9 | Confident | 81.2 | Confident | 78 Ų | 78 | 93.4 Ų | 93.4 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 154.2 | -177.5 | 60.8 | 174.5 | 29 | 0 | 0 | 111.3 | C115 F145 A150 | C115-Q147 HydrophobicContact CB-CG 3.43Å; C115-Q147 VanDerWaalsContact CB-CG 3.43Å; C115-Q147 PolarHBondContact N-O 2.94Å; F145-Q147 WeakPolarHBondContact CE2-O 3.48Å; Q147-A150 PolarHBondContact NE2-O 2.87Å |
| 148 | R | 85.3 | Confident | 80.4 | Confident | 180 Ų | 180 | 95.1 Ų | 95.1 | 68% | 0.679 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 149 | 164.9 | -62 | -172.5 | -175.5 | -170.3 | 1.7 | 109.5 | F145 | F145-R148 HydrophobicContact CE2-CG 4.39Å; F145-R148 HydrophobicContact CZ-CB 4.48Å; F145-R148 HydrophobicContact CZ-CG 3.68Å |
| 149 | G | 83.6 | Confident | 79.8 | Confident | 3 Ų | 3 | 97.1 Ų | 97.1 | 3% | 0.031 | 52% | 0.524 | C | S | . | . | S | Bend | trans | 86.5 | 171.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | P113 V114 C115 | P113-G149 CarbonylContact O-C 3.53Å; P113-G149 WeakPolarHBondContact O-CA 3.39Å; P113-G149 PolarHBondContact O-N 3.42Å; V114-G149 CarbonylContact C-O 3.59Å; V114-G149 VanDerWaalsContact CA-O 3.3Å; V114-G149 WeakPolarHBondContact CA-O 2.92Å; C115-G149 PolarHBondContact N-O 2.95Å; C115-G149 VanDerWaalsContact N-O 3.07Å |
| 150 | A | 84.6 | Confident | 79.4 | Confident | 28 Ų | 28 | 90.3 Ų | 90.3 | 23% | 0.231 | 50% | 0.497 | C | S | . | . | trans | -66.2 | 148.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S121 Q147 | S121-A150 WeakPolarHBondContact OG-CA 3.07Å; S121-A150 WeakPolarHBondContact OG-CB 3.23Å; Q147-A150 PolarHBondContact NE2-O 2.87Å | ||
| 151 | C | 83.5 | Confident | 79.1 | Confident | 25 Ų | 25 | 91 Ų | 91 | 17% | 0.169 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 143.7 | 171.6 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | C115 G119 V120 S121 K153 | C115-C151 WeakPolarHBondContact CA-SG 3.37Å; C115-C151 HydrophobicContact CB-CB 4.02Å; C115-C151 WeakPolarHBondContact CB-SG 3.14Å; C115-C151 WeakPolarHBondContact SG-CA 3.44Å; C115-C151 WeakPolarHBondContact SG-CB 3.12Å; C115-C151 CovalentContact SG-SG 2.03Å; C115-C151 PolarHBondContact SG-SG 2.95Å; G119-C151 WeakPolarHBondContact O-CB 3.49Å; G119-C151 PolarHBondContact O-SG 2.82Å; V120-C151 PolarHBondContact O-SG 2.89Å; S121-C151 PolarHBondContact OG-N 2.8Å; C151-K153 PolarHBondContact O-N 3.29Å; C151-K153 VanDerWaalsContact O-N 3.08Å |
| 152 | G | 72.7 | Confident | 78.8 | Confident | 85 Ų | 85 | 94.5 Ų | 94.5 | 88% | 0.876 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -12 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 153 | K | 59.9 | Low | 78.4 | Confident | 156 Ų | 156 | 95.9 Ų | 95.9 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | trans | -96 | 104.5 | 167.6 | -71.7 | -174.3 | 179.5 | -179.7 | 0 | 108.3 | C151 Q155 | C151-K153 PolarHBondContact O-N 3.29Å; C151-K153 VanDerWaalsContact O-N 3.08Å; K153-Q155 VanDerWaalsContact C-N 3.27Å; K153-Q155 PolarHBondContact O-N 2.84Å | ||
| 154 | A | 56.5 | Low | 78.2 | Confident | 93 Ų | 93 | 101.8 Ų | 101.8 | 77% | 0.769 | 53% | 0.528 | S | S | * | . | trans | -60 | 99.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | L156 | A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.88Å | ||
| 155 | Q | 58.1 | Low | 78.2 | Confident | 123 Ų | 123 | 102.8 Ų | 102.8 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | trans | -62.4 | 105.3 | 168.8 | -100.1 | 175.2 | -27.2 | 0 | 0 | 105.8 | K153 N157 | K153-Q155 VanDerWaalsContact C-N 3.27Å; K153-Q155 PolarHBondContact O-N 2.84Å; Q155-N157 PolarHBondContact O-N 2.84Å | ||
| 156 | L | 57.7 | Low | 78.4 | Confident | 128 Ų | 128 | 102.2 Ų | 102.2 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | trans | -63.1 | 76.2 | 160.2 | -81.9 | 158.1 | 0 | 0 | 0 | 106.6 | A154 L158 | A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.88Å; L156-L158 VanDerWaalsContact C-N 3.28Å; L156-L158 PolarHBondContact O-N 3.4Å | ||
| 157 | N | 67.1 | Low | 78.7 | Confident | 89 Ų | 89 | 101.1 Ų | 101.1 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | trans | -75 | 93.3 | 169.4 | -174.7 | -16.3 | 0 | 0 | 0 | 105.9 | Q155 D159 S160 H163 | Q155-N157 PolarHBondContact O-N 2.84Å; N157-D159 PolarHBondContact O-N 3.44Å; N157-D159 WeakPolarHBondContact OD1-CB 3.47Å; N157-D159 PolarHBondContact OD1-N 2.81Å; N157-D159 VanDerWaalsContact OD1-N 3.12Å; N157-S160 WeakPolarHBondContact O-CB 3.33Å; N157-S160 PolarHBondContact O-N 2.97Å; N157-S160 PolarHBondContact OD1-N 2.87Å; N157-H163 PolarHBondContact O-ND1 2.75Å | ||
| 158 | L | 68.9 | Low | 79.4 | Confident | 132 Ų | 132 | 99.1 Ų | 99.1 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.1 | 179.8 | -69.5 | 165.3 | 0 | 0 | 0 | 111.8 | L156 S160 | L156-L158 VanDerWaalsContact C-N 3.28Å; L156-L158 PolarHBondContact O-N 3.4Å; L158-S160 VanDerWaalsContact C-N 3.28Å |
| 159 | D | 77.9 | Confident | 79.9 | Confident | 146 Ų | 146 | 93 Ų | 93 | 78% | 0.781 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -3.2 | 173.9 | -64.1 | -41.3 | 0 | 0 | 0 | 113.2 | N157 L161 | N157-D159 PolarHBondContact O-N 3.44Å; N157-D159 WeakPolarHBondContact OD1-CB 3.47Å; N157-D159 PolarHBondContact OD1-N 2.81Å; N157-D159 VanDerWaalsContact OD1-N 3.12Å; D159-L161 PolarHBondContact O-N 3.34Å |
| 160 | S | 83.7 | Confident | 80.5 | Confident | 44 Ų | 44 | 97.4 Ų | 97.4 | 31% | 0.308 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -61.9 | 135.4 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | N157 L158 R162 H163 K164 | N157-S160 WeakPolarHBondContact O-CB 3.33Å; N157-S160 PolarHBondContact O-N 2.97Å; N157-S160 PolarHBondContact OD1-N 2.87Å; L158-S160 VanDerWaalsContact C-N 3.28Å; S160-R162 PolarHBondContact O-N 3.25Å; S160-R162 PolarHBondContact OG-N 3.07Å; S160-H163 PolarHBondContact O-N 2.89Å; S160-K164 PolarHBondContact O-N 3.28Å; S160-K164 VanDerWaalsContact O-N 3.09Å |
| 161 | L | 85.9 | Confident | 81.1 | Confident | 128 Ų | 128 | 96.4 Ų | 96.4 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -51.6 | -31.8 | 172.7 | -59 | 178.6 | 0 | 0 | 0 | 112 | D159 K164 Y165 | D159-L161 PolarHBondContact O-N 3.34Å; L161-K164 PolarHBondContact O-N 2.91Å; L161-Y165 HydrophobicContact CB-CD2 4.2Å; L161-Y165 HydrophobicContact CD2-CD2 3.96Å; L161-Y165 HydrophobicContact CD2-CE2 3.58Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3Å |
| 162 | R | 85.7 | Confident | 81.6 | Confident | 186 Ų | 186 | 96.6 Ų | 96.6 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 176.3 | -173.2 | -175.9 | 176.8 | 177.1 | -1.4 | 112.5 | S160 N166 | S160-R162 PolarHBondContact O-N 3.25Å; S160-R162 PolarHBondContact OG-N 3.07Å; R162-N166 VanDerWaalsContact CG-ND2 3.25Å; R162-N166 WeakPolarHBondContact CG-ND2 3.4Å; R162-N166 VanDerWaalsContact O-CB 3.31Å; R162-N166 WeakPolarHBondContact O-CB 3.49Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-ND2 2.78Å |
| 163 | H | 85.4 | Confident | 82.7 | Confident | 85 Ų | 85 | 99.4 Ų | 99.4 | 39% | 0.394 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.6 | -34 | 178.9 | -70 | 102.9 | 0 | 0 | 0 | 111.4 | N157 S160 | N157-H163 PolarHBondContact O-ND1 2.75Å; S160-H163 PolarHBondContact O-N 2.89Å |
| 164 | K | 88.9 | Confident | 84.4 | Confident | 139 Ų | 139 | 98.8 Ų | 98.8 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.7 | -31.4 | -173.6 | -169.1 | 171.4 | -179.9 | 179.8 | 0 | 114.6 | S160 L161 | S160-K164 PolarHBondContact O-N 3.28Å; S160-K164 VanDerWaalsContact O-N 3.09Å; L161-K164 PolarHBondContact O-N 2.91Å |
| 165 | Y | 93.6 | Very high | 86.3 | Confident | 125 Ų | 125 | 94.4 Ų | 94.4 | 49% | 0.49 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -121.6 | 6.8 | -167.8 | -60.5 | -69.6 | 0 | 0 | 0 | 115.1 | L161 F167 | L161-Y165 HydrophobicContact CB-CD2 4.2Å; L161-Y165 HydrophobicContact CD2-CD2 3.96Å; L161-Y165 HydrophobicContact CD2-CE2 3.58Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3Å; Y165-F167 WeakPolarHBondContact O-CD1 3.27Å; Y165-F167 WeakPolarHBondContact O-CE1 3.47Å; Y165-F167 PolarHBondContact O-N 3.28Å; Y165-F167 VanDerWaalsContact O-N 3.1Å |
| 166 | N | 94.7 | Very high | 88 | Confident | 73 Ų | 73 | 88.7 Ų | 88.7 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | trans | -85 | 42.1 | 176.8 | -86.3 | -35.4 | 0 | 0 | 0 | 113.6 | R162 I168 A169 D170 | R162-N166 VanDerWaalsContact CG-ND2 3.25Å; R162-N166 WeakPolarHBondContact CG-ND2 3.4Å; R162-N166 VanDerWaalsContact O-CB 3.31Å; R162-N166 WeakPolarHBondContact O-CB 3.49Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-ND2 2.78Å; N166-I168 PolarHBondContact O-N 3.3Å; N166-I168 VanDerWaalsContact O-N 3.12Å; N166-A169 HydrophobicContact CB-CB 4.17Å; N166-A169 WeakPolarHBondContact O-CB 3.38Å; N166-A169 PolarHBondContact O-N 3.14Å; N166-D170 PolarHBondContact O-N 2.92Å | ||
| 167 | F | 96 | Very high | 89.8 | Confident | 77 Ų | 77 | 85 Ų | 85 | 34% | 0.338 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.8 | -29.5 | -179.7 | 52.2 | -97.2 | 0 | 0 | 0 | 113.4 | Y165 A169 D170 V171 F274 L331 | Y165-F167 WeakPolarHBondContact O-CD1 3.27Å; Y165-F167 WeakPolarHBondContact O-CE1 3.47Å; Y165-F167 PolarHBondContact O-N 3.28Å; Y165-F167 VanDerWaalsContact O-N 3.1Å; F167-A169 VanDerWaalsContact C-N 3.34Å; F167-D170 PolarHBondContact O-N 3.42Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.31Å; F167-V171 PolarHBondContact O-N 3.02Å; F167-V171 VanDerWaalsContact O-N 3.08Å; F167-F274 HydrophobicContact CE2-CD2 4.28Å; F167-F274 HydrophobicContact CE2-CG 4.29Å; F167-F274 HydrophobicContact CZ-CD2 4.45Å; F167-F274 HydrophobicContact CZ-CE2 4.33Å; F167-L331 HydrophobicContact CD2-CD1 4.23Å; F167-L331 HydrophobicContact CD2-CD2 3.69Å; F167-L331 HydrophobicContact CE2-CD1 4.48Å; F167-L331 HydrophobicContact CE2-CD2 4.14Å |
| 168 | I | 97.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 80.8 Ų | 80.8 | 19% | 0.19 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.1 | -59.6 | -59.3 | 0 | 0 | 0 | 111.2 | N166 D170 V171 V172 V276 T290 L331 | N166-I168 PolarHBondContact O-N 3.3Å; N166-I168 VanDerWaalsContact O-N 3.12Å; I168-D170 VanDerWaalsContact C-N 3.33Å; I168-V171 PolarHBondContact O-N 3.38Å; I168-V172 HydrophobicContact CG2-CG2 4.42Å; I168-V172 WeakPolarHBondContact O-CG2 3.36Å; I168-V172 PolarHBondContact O-N 3.18Å; I168-V276 HydrophobicContact CD1-CG2 3.8Å; I168-V276 HydrophobicContact CG2-CG2 3.99Å; I168-T290 WeakPolarHBondContact CD1-OG1 3.35Å; I168-L331 HydrophobicContact CD1-CD2 3.99Å |
| 169 | A | 95.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 74.6 Ų | 74.6 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N166 F167 V171 V172 E173 | N166-A169 HydrophobicContact CB-CB 4.17Å; N166-A169 WeakPolarHBondContact O-CB 3.38Å; N166-A169 PolarHBondContact O-N 3.14Å; F167-A169 VanDerWaalsContact C-N 3.34Å; A169-V171 VanDerWaalsContact C-N 3.35Å; A169-V171 PolarHBondContact O-N 2.86Å; A169-V172 PolarHBondContact O-N 2.92Å; A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 PolarHBondContact O-N 2.86Å |
| 170 | D | 96.3 | Very high | 93.3 | Very high | 96 Ų | 96 | 67.7 Ų | 67.7 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.5 | -56 | -25.8 | 0 | 0 | 0 | 111.3 | N166 F167 I168 E173 K174 | N166-D170 PolarHBondContact O-N 2.92Å; F167-D170 PolarHBondContact O-N 3.42Å; I168-D170 VanDerWaalsContact C-N 3.33Å; D170-E173 PolarHBondContact O-N 2.9Å; D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 PolarHBondContact O-N 3.27Å |
| 171 | V | 97.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | F167 I168 A169 E173 K174 I175 V276 V329 L331 | F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.31Å; F167-V171 PolarHBondContact O-N 3.02Å; F167-V171 VanDerWaalsContact O-N 3.08Å; I168-V171 PolarHBondContact O-N 3.38Å; A169-V171 VanDerWaalsContact C-N 3.35Å; A169-V171 PolarHBondContact O-N 2.86Å; V171-E173 PolarHBondContact O-N 3.04Å; V171-K174 PolarHBondContact O-N 3.3Å; V171-I175 HydrophobicContact CG1-CD1 4.08Å; V171-I175 HydrophobicContact CG1-CG2 4.44Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 WeakPolarHBondContact O-CG2 3.47Å; V171-I175 PolarHBondContact O-N 3.06Å; V171-V276 HydrophobicContact CG1-CB 4.37Å; V171-V276 HydrophobicContact CG1-CG2 4.03Å; V171-V329 HydrophobicContact CG1-CG2 3.68Å; V171-L331 HydrophobicContact CG2-CD2 4.31Å; V171-L331 VanDerWaalsContact CG2-O 3.27Å; V171-L331 WeakPolarHBondContact CG2-O 3.37Å |
| 172 | V | 95.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 178.7 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | I168 A169 K174 I175 A176 V276 I278 V288 | I168-V172 HydrophobicContact CG2-CG2 4.42Å; I168-V172 WeakPolarHBondContact O-CG2 3.36Å; I168-V172 PolarHBondContact O-N 3.18Å; A169-V172 PolarHBondContact O-N 2.92Å; V172-K174 VanDerWaalsContact C-N 3.3Å; V172-K174 PolarHBondContact O-N 2.89Å; V172-I175 PolarHBondContact O-N 2.88Å; V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.24Å; V172-V276 HydrophobicContact CG2-CG1 3.99Å; V172-I278 HydrophobicContact CG1-CD1 4.33Å; V172-V288 HydrophobicContact CG1-CG2 3.89Å; V172-V288 HydrophobicContact CG2-CB 4.35Å; V172-V288 HydrophobicContact CG2-CG1 3.49Å; V172-V288 VanDerWaalsContact CG2-CG1 3.49Å; V172-V288 HydrophobicContact CG2-CG2 3.97Å |
| 173 | E | 94.6 | Very high | 94.3 | Very high | 145 Ų | 145 | 53.4 Ų | 53.4 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.3 | -43.7 | 178.6 | -176.3 | 171.3 | -173.5 | 0 | 0 | 111.2 | A169 D170 V171 | A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 PolarHBondContact O-N 2.86Å; D170-E173 PolarHBondContact O-N 2.9Å; V171-E173 PolarHBondContact O-N 3.04Å |
| 174 | K | 95.6 | Very high | 94.2 | Very high | 143 Ų | 143 | 49.6 Ų | 49.6 | 62% | 0.622 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.2 | -47.2 | 177.6 | -175.7 | -179.2 | 179.6 | -175.9 | 0 | 112.8 | D170 V171 V172 D332 | D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 PolarHBondContact O-N 3.27Å; V171-K174 PolarHBondContact O-N 3.3Å; V172-K174 VanDerWaalsContact C-N 3.3Å; V172-K174 PolarHBondContact O-N 2.89Å; K174-D332 PolarHBondContact NZ-O 3.31Å |
| 175 | I | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -89.6 | -27.9 | -170.2 | 72.8 | -171.2 | 0 | 0 | 0 | 113.9 | V171 V172 P177 A178 L261 I278 V329 | V171-I175 HydrophobicContact CG1-CD1 4.08Å; V171-I175 HydrophobicContact CG1-CG2 4.44Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 WeakPolarHBondContact O-CG2 3.47Å; V171-I175 PolarHBondContact O-N 3.06Å; V172-I175 PolarHBondContact O-N 2.88Å; I175-P177 VanDerWaalsContact C-N 3.32Å; I175-P177 VanDerWaalsContact O-N 3.15Å; I175-A178 PolarHBondContact O-N 2.85Å; I175-L261 HydrophobicContact CB-CD1 4.41Å; I175-L261 HydrophobicContact CB-CD2 3.76Å; I175-L261 HydrophobicContact CG2-CD2 3.85Å; I175-I278 HydrophobicContact CD1-CB 4.34Å; I175-I278 HydrophobicContact CD1-CD1 4.22Å; I175-I278 HydrophobicContact CD1-CG2 3.65Å; I175-I278 HydrophobicContact CG1-CD1 4.09Å; I175-I278 HydrophobicContact CG1-CG2 4.27Å; I175-V329 HydrophobicContact CD1-CB 4.42Å; I175-V329 HydrophobicContact CD1-CG1 4.15Å; I175-V329 HydrophobicContact CD1-CG2 3.43Å; I175-V329 VanDerWaalsContact CD1-CG2 3.43Å; I175-V329 HydrophobicContact CG2-CG2 4.49Å |
| 176 | A | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -52.4 | -37.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | V172 A178 V179 K229 I278 N286 | V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.24Å; A176-A178 PolarHBondContact O-N 3.44Å; A176-V179 PolarHBondContact O-N 3Å; A176-K229 HydrophobicContact CB-CD 4.3Å; A176-I278 HydrophobicContact CB-CD1 4.29Å; A176-N286 VanDerWaalsContact CB-ND2 3.31Å; A176-N286 WeakPolarHBondContact CB-ND2 3.37Å |
| 177 | P | 94.5 | Very high | 92 | Very high | 50 Ų | 50 | 48 Ų | 48 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -62 | -25.6 | 178.8 | -25 | 36.4 | 0 | 0 | 0 | 115 | I175 K229 P259 | I175-P177 VanDerWaalsContact C-N 3.32Å; I175-P177 VanDerWaalsContact O-N 3.15Å; P177-K229 HydrophobicContact CB-CD 4.44Å; P177-K229 HydrophobicContact CG-CD 4.34Å; P177-P259 HydrophobicContact CB-CB 4.06Å; P177-P259 HydrophobicContact CB-CG 3.7Å; P177-P259 VanDerWaalsContact O-CG 3.27Å; P177-P259 WeakPolarHBondContact O-CG 3.38Å |
| 178 | A | 96.7 | Very high | 91 | Very high | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -94.7 | -3.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I175 A176 F203 V204 P259 L261 | I175-A178 PolarHBondContact O-N 2.85Å; A176-A178 PolarHBondContact O-N 3.44Å; A178-F203 CarbonylContact O-C 3.58Å; A178-F203 VanDerWaalsContact O-CA 3.29Å; A178-F203 WeakPolarHBondContact O-CA 3.5Å; A178-V204 PolarHBondContact O-N 3.01Å; A178-P259 HydrophobicContact CB-CB 4.28Å; A178-P259 HydrophobicContact CB-CG 4.42Å; A178-P259 WeakPolarHBondContact CB-O 3.26Å; A178-L261 HydrophobicContact CB-CD1 4.48Å; A178-L261 HydrophobicContact CB-CD2 3.86Å; A178-L261 HydrophobicContact CB-CG 3.68Å |
| 179 | V | 96.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.8 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | A176 I278 P327 | A176-V179 PolarHBondContact O-N 3Å; V179-I278 HydrophobicContact CG1-CG1 4.49Å; V179-I278 HydrophobicContact CG2-CD1 4.23Å; V179-I278 HydrophobicContact CG2-CG1 4.27Å; V179-I278 HydrophobicContact CG2-CG2 3.7Å; V179-P327 HydrophobicContact CG2-CG 3.98Å |
| 180 | V | 95.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.5 | -175.6 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | I182 S201 G202 V204 I211 V226 L228 | V180-I182 HydrophobicContact CG2-CG1 4.25Å; V180-S201 CarbonylContact O-C 3.54Å; V180-S201 WeakPolarHBondContact O-CA 3.33Å; V180-G202 PolarHBondContact N-O 3.43Å; V180-G202 PolarHBondContact O-N 3.07Å; V180-V204 HydrophobicContact CG1-CG2 3.94Å; V180-I211 HydrophobicContact CG2-CD1 4.21Å; V180-I211 HydrophobicContact CG2-CG1 4.47Å; V180-I211 HydrophobicContact CG2-CG2 3.83Å; V180-V226 HydrophobicContact CB-CG1 3.66Å; V180-V226 HydrophobicContact CG1-CG1 4.04Å; V180-V226 HydrophobicContact CG2-CG1 3.8Å; V180-L228 HydrophobicContact CG1-CD2 3.54Å |
| 181 | H | 94.6 | Very high | 86.8 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.9 | 168.6 | 177.8 | 61 | 0 | 0 | 0 | 109.6 | S199 G200 V226 E227 S280 P281 | H181-S199 PolarHBondContact CE1-OG 3.4Å; H181-G200 PolarHBondContact ND1-O 3.4Å; H181-V226 CarbonylContact O-C 3.59Å; H181-V226 VanDerWaalsContact O-CA 3.31Å; H181-V226 WeakPolarHBondContact O-CA 3.49Å; H181-E227 HydrophobicContact CB-CB 4.17Å; H181-E227 IonicContact CD2-OE2 3.43Å; H181-E227 PolarHBondContact N-O 2.88Å; H181-E227 PolarHBondContact O-N 2.85Å; H181-S280 WeakPolarHBondContact CB-O 3.34Å; H181-S280 PolarHBondContact ND1-O 2.86Å; H181-P281 PolarHBondContact CE1-O 2.81Å |
| 182 | I | 91.9 | Very high | 85.5 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.4 | 179.5 | -56.9 | -178.7 | 0 | 0 | 0 | 108.5 | V180 S199 G200 I211 T213 V217 V218 V224 K225 V226 I250 | V180-I182 HydrophobicContact CG2-CG1 4.25Å; I182-S199 CarbonylContact O-C 3.6Å; I182-S199 WeakPolarHBondContact O-CA 3.22Å; I182-G200 PolarHBondContact N-O 2.93Å; I182-G200 PolarHBondContact O-N 2.77Å; I182-I211 HydrophobicContact CD1-CG2 4.38Å; I182-T213 HydrophobicContact CD1-CG2 3.69Å; I182-V217 HydrophobicContact CB-CG1 4.12Å; I182-V217 HydrophobicContact CD1-CG1 4.48Å; I182-V217 HydrophobicContact CG2-CG1 3.98Å; I182-V218 HydrophobicContact CG2-CG1 4.23Å; I182-V224 HydrophobicContact CG2-CG1 3.67Å; I182-K225 WeakPolarHBondContact CA-O 3.5Å; I182-V226 HydrophobicContact CG1-CG2 4.4Å; I182-I250 HydrophobicContact CD1-CD1 3.87Å |
| 183 | E | 88.6 | Confident | 84.4 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.5 | -178.7 | -164.3 | 175.5 | -161.7 | 0 | 0 | 110.7 | F185 A196 K225 | E183-F185 HydrophobicContact CB-CE2 3.87Å; E183-F185 HydrophobicContact CB-CZ 4.45Å; E183-F185 VanDerWaalsContact CD-CZ 3.42Å; E183-F185 HydrophobicContact CG-CD2 4.4Å; E183-F185 HydrophobicContact CG-CE2 3.72Å; E183-F185 HydrophobicContact CG-CZ 3.93Å; E183-F185 WeakPolarHBondContact OE2-CE2 3.29Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.4Å; E183-A196 HydrophobicContact CG-CB 4.14Å; E183-A196 WeakPolarHBondContact OE1-CB 3.47Å; E183-K225 PolarHBondContact N-O 2.71Å; E183-K225 PolarHBondContact O-N 3Å |
| 184 | L | 84.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.3 | 178.3 | -74.4 | 169.5 | 0 | 0 | 0 | 110.1 | A196 V197 A198 V217 H222 V224 | L184-A196 WeakPolarHBondContact O-CA 3.23Å; L184-V197 HydrophobicContact CB-CG2 3.81Å; L184-V197 WeakPolarHBondContact O-CG2 3.32Å; L184-V197 PolarHBondContact O-N 3.43Å; L184-A198 HydrophobicContact CB-CB 4.12Å; L184-A198 HydrophobicContact CD1-CB 3.59Å; L184-A198 HydrophobicContact CG-CB 4.34Å; L184-A198 PolarHBondContact N-O 2.84Å; L184-V217 WeakPolarHBondContact CD1-O 3.5Å; L184-V217 WeakPolarHBondContact CG-O 3.39Å; L184-H222 HydrophobicContact CB-CB 4.33Å; L184-H222 HydrophobicContact CD2-CB 4.02Å; L184-V224 HydrophobicContact CD2-CB 4.48Å; L184-V224 HydrophobicContact CD2-CG2 3.72Å |
| 185 | F | 80.8 | Confident | 82.7 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124 | 178 | -70.8 | -88.5 | 0 | 0 | 0 | 112.1 | E183 E194 A196 H222 R223 K225 | E183-F185 HydrophobicContact CB-CE2 3.87Å; E183-F185 HydrophobicContact CB-CZ 4.45Å; E183-F185 VanDerWaalsContact CD-CZ 3.42Å; E183-F185 HydrophobicContact CG-CD2 4.4Å; E183-F185 HydrophobicContact CG-CE2 3.72Å; E183-F185 HydrophobicContact CG-CZ 3.93Å; E183-F185 WeakPolarHBondContact OE2-CE2 3.29Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.4Å; F185-E194 HydrophobicContact CB-CB 4.26Å; F185-E194 HydrophobicContact CD1-CB 3.86Å; F185-E194 HydrophobicContact CG-CB 4.45Å; F185-A196 HydrophobicContact CE1-CB 4.36Å; F185-H222 WeakPolarHBondContact O-CB 3.33Å; F185-R223 PolarHBondContact N-O 2.88Å; F185-R223 PolarHBondContact O-N 3.47Å; F185-R223 VanDerWaalsContact O-N 3.16Å; F185-K225 HydrophobicContact CD2-CB 4.23Å; F185-K225 HydrophobicContact CD2-CD 3.96Å; F185-K225 HydrophobicContact CD2-CG 3.87Å; F185-K225 HydrophobicContact CE2-CB 3.9Å; F185-K225 HydrophobicContact CE2-CD 3.56Å; F185-K225 HydrophobicContact CE2-CG 3.81Å; F185-K225 HydrophobicContact CZ-CD 4.27Å |
| 186 | R | 77.4 | Confident | 81.8 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.4 | 169.3 | -172.4 | 174.2 | -172.2 | -164.9 | 6.5 | 109.8 | V195 V197 | R186-V195 PolarHBondContact N-O 3.34Å; R186-V195 PolarHBondContact O-N 3.29Å; R186-V197 HydrophobicContact CB-CG1 3.51Å; R186-V197 HydrophobicContact CB-CG2 4.28Å |
| 187 | K | 73.3 | Confident | 81 | Confident | 148 Ų | 148 | 72.9 Ų | 72.9 | 64% | 0.643 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 126.1 | 173.3 | -162.7 | 174.4 | -176 | 177.7 | 0 | 109.7 | ||
| 188 | M | 73.5 | Confident | 80.1 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 49% | 0.488 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 142 | 176.4 | -68 | -69.9 | -85.9 | 0 | 0 | 110.6 | F190 R193 V195 | M188-F190 VanDerWaalsContact C-N 3.35Å; M188-F190 PolarHBondContact O-N 2.66Å; M188-R193 PolarHBondContact N-O 2.97Å; M188-V195 HydrophobicContact CG-CG2 3.92Å; M188-V195 HydrophobicContact SD-CG2 4.29Å |
| 189 | I | 62.2 | Low | 79.4 | Confident | 105 Ų | 105 | 74.9 Ų | 74.9 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -35.3 | -172.8 | -57 | 169.6 | 0 | 0 | 0 | 111.5 | ||
| 190 | F | 71.4 | Confident | 79 | Confident | 201 Ų | 201 | 74.8 Ų | 74.8 | 88% | 0.882 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 7.4 | -174 | -56.5 | -73.6 | 0 | 0 | 0 | 113.6 | M188 | M188-F190 VanDerWaalsContact C-N 3.35Å; M188-F190 PolarHBondContact O-N 2.66Å |
| 191 | S | 67.6 | Low | 79 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -146.7 | 144.6 | -179.7 | -177 | 0 | 0 | 0 | 0 | 110.3 | R193 | S191-R193 PolarHBondContact O-N 3.18Å; S191-R193 VanDerWaalsContact O-N 3.11Å; S191-R193 WeakPolarHBondContact OG-CB 3.48Å; S191-R193 PolarHBondContact OG-N 2.9Å |
| 192 | K | 69.4 | Low | 79 | Confident | 197 Ų | 197 | 74.4 Ų | 74.4 | 86% | 0.857 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -69.3 | 1.2 | 169.5 | -68.6 | -174.1 | -179.5 | -179.8 | 0 | 113.1 | ||
| 193 | R | 74.1 | Confident | 79.3 | Confident | 195 Ų | 195 | 74.4 Ų | 74.4 | 74% | 0.736 | 37% | 0.366 | S | S | * | . | trans | -71.5 | 133.1 | 176.7 | -75.3 | -177.4 | 167.5 | 179 | -4.2 | 111.2 | M188 S191 | M188-R193 PolarHBondContact N-O 2.97Å; S191-R193 PolarHBondContact O-N 3.18Å; S191-R193 VanDerWaalsContact O-N 3.11Å; S191-R193 WeakPolarHBondContact OG-CB 3.48Å; S191-R193 PolarHBondContact OG-N 2.9Å | ||
| 194 | E | 76.8 | Confident | 79.8 | Confident | 67 Ų | 67 | 72 Ų | 72 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.6 | 170.6 | -68.5 | 175.5 | 177.9 | 0 | 0 | 108.2 | F185 R223 | F185-E194 HydrophobicContact CB-CB 4.26Å; F185-E194 HydrophobicContact CD1-CB 3.86Å; F185-E194 HydrophobicContact CG-CB 4.45Å; E194-R223 VanDerWaalsContact CD-NH2 3.34Å; E194-R223 IonicContact OE1-CZ 2.85Å; E194-R223 VanDerWaalsContact OE1-CZ 3.25Å; E194-R223 IonicContact OE1-NH1 3.7Å; E194-R223 PolarHBondContact OE1-NH1 2.99Å; E194-R223 IonicContact OE1-NH2 3.98Å; E194-R223 PolarHBondContact OE1-NH2 3.47Å; E194-R223 IonicContact OE2-CZ 2.64Å; E194-R223 IonicContact OE2-NH1 3.88Å; E194-R223 IonicContact OE2-NH2 3.69Å; E194-R223 PolarHBondContact OE2-NH2 2.96Å |
| 195 | V | 77.6 | Confident | 80.4 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 42% | 0.424 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.3 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | R186 M188 V197 | R186-V195 PolarHBondContact N-O 3.34Å; R186-V195 PolarHBondContact O-N 3.29Å; M188-V195 HydrophobicContact CG-CG2 3.92Å; M188-V195 HydrophobicContact SD-CG2 4.29Å; V195-V197 PolarHBondContact O-N 2.74Å |
| 196 | A | 77.2 | Confident | 81.1 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 124.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | E183 L184 F185 | E183-A196 HydrophobicContact CG-CB 4.14Å; E183-A196 WeakPolarHBondContact OE1-CB 3.47Å; L184-A196 WeakPolarHBondContact O-CA 3.23Å; F185-A196 HydrophobicContact CE1-CB 4.36Å |
| 197 | V | 76.3 | Confident | 82 | Confident | 71 Ų | 71 | 72.1 Ų | 72.1 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -23.5 | -177 | -69.3 | 0 | 0 | 0 | 0 | 113.2 | L184 R186 V195 | L184-V197 HydrophobicContact CB-CG2 3.81Å; L184-V197 WeakPolarHBondContact O-CG2 3.32Å; L184-V197 PolarHBondContact O-N 3.43Å; R186-V197 HydrophobicContact CB-CG1 3.51Å; R186-V197 HydrophobicContact CB-CG2 4.28Å; V195-V197 PolarHBondContact O-N 2.74Å |
| 198 | A | 76.1 | Confident | 82.9 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 33% | 0.331 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 153.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L184 | L184-A198 HydrophobicContact CB-CB 4.12Å; L184-A198 HydrophobicContact CD1-CB 3.59Å; L184-A198 HydrophobicContact CG-CB 4.34Å; L184-A198 PolarHBondContact N-O 2.84Å |
| 199 | S | 83.1 | Confident | 84 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.8 | -177 | 159.6 | 0 | 0 | 0 | 0 | 108 | H181 I182 P281 | H181-S199 PolarHBondContact CE1-OG 3.4Å; I182-S199 CarbonylContact O-C 3.6Å; I182-S199 WeakPolarHBondContact O-CA 3.22Å; S199-P281 PolarHBondContact OG-O 3.34Å |
| 200 | G | 88.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | -169.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H181 I182 | H181-G200 PolarHBondContact ND1-O 3.4Å; I182-G200 PolarHBondContact N-O 2.93Å; I182-G200 PolarHBondContact O-N 2.77Å |
| 201 | S | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 164.7 | 177.9 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | V180 T213 G279 S280 G322 S324 G325 | V180-S201 CarbonylContact O-C 3.54Å; V180-S201 WeakPolarHBondContact O-CA 3.33Å; S201-T213 WeakPolarHBondContact O-CB 3.19Å; S201-T213 PolarHBondContact O-OG1 3.2Å; S201-G279 WeakPolarHBondContact OG-CA 3.44Å; S201-S280 PolarHBondContact OG-N 3.12Å; S201-G322 PolarHBondContact OG-O 3.03Å; S201-S324 WeakPolarHBondContact CB-O 3.35Å; S201-S324 PolarHBondContact N-O 3.39Å; S201-G325 CarbonylContact O-C 3.59Å; S201-G325 VanDerWaalsContact O-CA 3.25Å; S201-G325 WeakPolarHBondContact O-CA 3.46Å |
| 202 | G | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | -177.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V180 V212 G325 | V180-G202 PolarHBondContact N-O 3.43Å; V180-G202 PolarHBondContact O-N 3.07Å; G202-V212 VanDerWaalsContact CA-O 3.23Å; G202-V212 WeakPolarHBondContact CA-O 3.18Å; G202-G325 WeakPolarHBondContact CA-O 3.47Å |
| 203 | F | 98 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 147.8 | 172.8 | 56.6 | -81.6 | 0 | 0 | 0 | 111.8 | A178 V205 I211 V212 L261 L263 P327 V335 I338 I356 | A178-F203 CarbonylContact O-C 3.58Å; A178-F203 VanDerWaalsContact O-CA 3.29Å; A178-F203 WeakPolarHBondContact O-CA 3.5Å; F203-V205 HydrophobicContact CD2-CG1 3.68Å; F203-V205 HydrophobicContact CE2-CG1 3.47Å; F203-V205 VanDerWaalsContact CE2-CG1 3.47Å; F203-I211 VanDerWaalsContact O-CA 3.29Å; F203-I211 WeakPolarHBondContact O-CA 3.48Å; F203-V212 HydrophobicContact CE1-CB 4.19Å; F203-V212 HydrophobicContact CE1-CG1 4.14Å; F203-V212 HydrophobicContact CE2-CB 4.09Å; F203-V212 HydrophobicContact CZ-CB 3.82Å; F203-V212 HydrophobicContact CZ-CG1 3.83Å; F203-V212 PolarHBondContact N-O 3.3Å; F203-V212 PolarHBondContact O-N 3.16Å; F203-L261 HydrophobicContact CB-CD1 3.97Å; F203-L261 HydrophobicContact CD2-CB 4.41Å; F203-L261 HydrophobicContact CD2-CD1 4.37Å; F203-L261 HydrophobicContact CG-CD1 4.36Å; F203-L263 HydrophobicContact CE2-CD2 4.27Å; F203-P327 HydrophobicContact CB-CB 4.37Å; F203-P327 HydrophobicContact CB-CG 3.94Å; F203-P327 HydrophobicContact CD1-CB 3.62Å; F203-P327 HydrophobicContact CD1-CG 3.94Å; F203-P327 HydrophobicContact CD2-CB 4.48Å; F203-P327 HydrophobicContact CE1-CB 3.96Å; F203-P327 HydrophobicContact CG-CB 3.91Å; F203-P327 HydrophobicContact CG-CG 4.03Å; F203-V335 HydrophobicContact CD2-CG2 4.07Å; F203-V335 HydrophobicContact CE1-CG1 4.43Å; F203-V335 HydrophobicContact CE2-CB 4.4Å; F203-V335 HydrophobicContact CE2-CG1 3.98Å; F203-V335 HydrophobicContact CE2-CG2 3.93Å; F203-V335 HydrophobicContact CZ-CG1 3.79Å; F203-I338 HydrophobicContact CE1-CG1 3.88Å; F203-I338 HydrophobicContact CZ-CG1 4.07Å; F203-I356 HydrophobicContact CZ-CD1 4.36Å |
| 204 | V | 98.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.6 | -179 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | A178 V180 S206 L210 I211 L258 P259 V260 L261 | A178-V204 PolarHBondContact O-N 3.01Å; V180-V204 HydrophobicContact CG1-CG2 3.94Å; V204-S206 WeakPolarHBondContact CG1-O 3.36Å; V204-L210 WeakPolarHBondContact CA-O 3.45Å; V204-I211 HydrophobicContact CB-CG1 4.47Å; V204-I211 HydrophobicContact CG2-CG1 3.96Å; V204-L258 HydrophobicContact CG1-CB 3.91Å; V204-L258 HydrophobicContact CG1-CD1 3.97Å; V204-L258 HydrophobicContact CG2-CD1 4.06Å; V204-P259 WeakPolarHBondContact CB-O 3.13Å; V204-V260 HydrophobicContact CG1-CG1 4.08Å; V204-L261 PolarHBondContact O-N 3.03Å |
| 205 | V | 97.2 | Very high | 91.1 | Very high | 31 Ų | 31 | 27.4 Ų | 27.4 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | trans | -111.7 | -6 | 179 | -64.2 | 0 | 0 | 0 | 0 | 113.3 | F203 L210 V212 | F203-V205 HydrophobicContact CD2-CG1 3.68Å; F203-V205 HydrophobicContact CE2-CG1 3.47Å; F203-V205 VanDerWaalsContact CE2-CG1 3.47Å; V205-L210 HydrophobicContact CG2-CB 3.89Å; V205-L210 WeakPolarHBondContact CG2-O 3.32Å; V205-L210 PolarHBondContact N-O 3.26Å; V205-V212 HydrophobicContact CB-CG2 4.45Å; V205-V212 HydrophobicContact CG1-CB 4.21Å; V205-V212 HydrophobicContact CG1-CG2 3.72Å; V205-V212 HydrophobicContact CG2-CG2 3.88Å | ||
| 206 | S | 96 | Very high | 91.4 | Very high | 39 Ų | 39 | 28.2 Ų | 28.2 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -147.4 | 143.3 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | V204 D208 G209 | V204-S206 WeakPolarHBondContact CG1-O 3.36Å; S206-D208 WeakPolarHBondContact CB-OD1 3.25Å; S206-D208 PolarHBondContact O-N 3.33Å; S206-D208 VanDerWaalsContact O-N 3.1Å; S206-D208 PolarHBondContact OG-OD1 3.18Å; S206-G209 PolarHBondContact O-N 3.4Å |
| 207 | E | 95.6 | Very high | 91.8 | Very high | 92 Ų | 92 | 26.2 Ų | 26.2 | 43% | 0.43 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23 | -176.5 | -62.5 | -172.3 | 147.9 | 0 | 0 | 112.7 | G209 K257 L258 V260 | E207-G209 VanDerWaalsContact C-N 3.34Å; E207-K257 HydrophobicContact CB-CB 4.28Å; E207-K257 HydrophobicContact CB-CG 4.36Å; E207-K257 WeakPolarHBondContact O-CA 3.18Å; E207-K257 WeakPolarHBondContact OE2-CD 3.03Å; E207-K257 WeakPolarHBondContact OE2-CE 3.32Å; E207-K257 IonicContact OE2-NZ 2.78Å; E207-K257 PolarHBondContact OE2-NZ 3.16Å; E207-L258 PolarHBondContact O-N 3.18Å; E207-V260 HydrophobicContact CB-CG1 4.45Å; E207-V260 HydrophobicContact CG-CG1 3.95Å; E207-V260 VanDerWaalsContact N-CG1 3.32Å |
| 208 | D | 93.4 | Very high | 92.2 | Very high | 81 Ų | 81 | 22.9 Ų | 22.9 | 43% | 0.433 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.5 | -179.7 | 77.7 | -36.5 | 0 | 0 | 0 | 113.9 | S206 K251 | S206-D208 WeakPolarHBondContact CB-OD1 3.25Å; S206-D208 PolarHBondContact O-N 3.33Å; S206-D208 VanDerWaalsContact O-N 3.1Å; S206-D208 PolarHBondContact OG-OD1 3.18Å; D208-K251 WeakPolarHBondContact O-CE 3.41Å; D208-K251 PolarHBondContact O-NZ 3.27Å; D208-K251 WeakPolarHBondContact OD2-CE 3.18Å |
| 209 | G | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 106.1 | 19.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S206 E207 K251 I252 | S206-G209 PolarHBondContact O-N 3.4Å; E207-G209 VanDerWaalsContact C-N 3.34Å; G209-K251 WeakPolarHBondContact O-CA 3.42Å; G209-K251 WeakPolarHBondContact O-CD 3.43Å; G209-I252 PolarHBondContact O-N 3.35Å |
| 210 | L | 97.3 | Very high | 90.7 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 131.5 | 167.2 | -67.2 | 169.7 | 0 | 0 | 0 | 110.7 | V204 V205 L249 K251 | V204-L210 WeakPolarHBondContact CA-O 3.45Å; V205-L210 HydrophobicContact CG2-CB 3.89Å; V205-L210 WeakPolarHBondContact CG2-O 3.32Å; V205-L210 PolarHBondContact N-O 3.26Å; L210-L249 HydrophobicContact CB-CD1 4.23Å; L210-L249 HydrophobicContact CD2-CD1 4.18Å; L210-L249 HydrophobicContact CD2-CD2 4.27Å; L210-L249 HydrophobicContact CD2-CG 4.22Å; L210-K251 HydrophobicContact CD2-CB 4.24Å; L210-K251 HydrophobicContact CD2-CD 3.92Å; L210-K251 HydrophobicContact CG-CD 4.21Å |
| 211 | I | 98.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.2 | -177.1 | -68.2 | 157 | 0 | 0 | 0 | 109.3 | V180 I182 F203 V204 V226 I250 I252 | V180-I211 HydrophobicContact CG2-CD1 4.21Å; V180-I211 HydrophobicContact CG2-CG1 4.47Å; V180-I211 HydrophobicContact CG2-CG2 3.83Å; I182-I211 HydrophobicContact CD1-CG2 4.38Å; F203-I211 VanDerWaalsContact O-CA 3.29Å; F203-I211 WeakPolarHBondContact O-CA 3.48Å; V204-I211 HydrophobicContact CB-CG1 4.47Å; V204-I211 HydrophobicContact CG2-CG1 3.96Å; I211-V226 HydrophobicContact CD1-CB 4.48Å; I211-V226 HydrophobicContact CD1-CG1 3.78Å; I211-V226 HydrophobicContact CD1-CG2 4.15Å; I211-I250 HydrophobicContact CB-CD1 4.27Å; I211-I250 HydrophobicContact CB-CG1 3.68Å; I211-I250 HydrophobicContact CG2-CD1 4.02Å; I211-I250 HydrophobicContact CG2-CG1 3.9Å; I211-I250 PolarHBondContact N-O 2.81Å; I211-I250 PolarHBondContact O-N 3.09Å; I211-I252 HydrophobicContact CD1-CD1 3.78Å; I211-I252 HydrophobicContact CD1-CG1 3.88Å; I211-I252 HydrophobicContact CD1-CG2 4.26Å |
| 212 | V | 98 | Very high | 88 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.4 | 173 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | G202 F203 V205 I247 A248 L249 I338 I356 L360 | G202-V212 VanDerWaalsContact CA-O 3.23Å; G202-V212 WeakPolarHBondContact CA-O 3.18Å; F203-V212 HydrophobicContact CE1-CB 4.19Å; F203-V212 HydrophobicContact CE1-CG1 4.14Å; F203-V212 HydrophobicContact CE2-CB 4.09Å; F203-V212 HydrophobicContact CZ-CB 3.82Å; F203-V212 HydrophobicContact CZ-CG1 3.83Å; F203-V212 PolarHBondContact N-O 3.3Å; F203-V212 PolarHBondContact O-N 3.16Å; V205-V212 HydrophobicContact CB-CG2 4.45Å; V205-V212 HydrophobicContact CG1-CB 4.21Å; V205-V212 HydrophobicContact CG1-CG2 3.72Å; V205-V212 HydrophobicContact CG2-CG2 3.88Å; V212-I247 HydrophobicContact CG1-CG2 4.11Å; V212-A248 WeakPolarHBondContact CA-O 3.48Å; V212-L249 HydrophobicContact CG2-CD1 4.09Å; V212-I338 HydrophobicContact CG1-CD1 3.57Å; V212-I338 HydrophobicContact CG1-CG1 4.11Å; V212-I356 HydrophobicContact CG1-CG2 4.05Å; V212-I356 HydrophobicContact CG2-CG2 4.3Å; V212-L360 HydrophobicContact CG2-CD2 4.05Å |
| 213 | T | 95.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | -174.4 | 173.4 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | I182 S201 V218 A248 | I182-T213 HydrophobicContact CD1-CG2 3.69Å; S201-T213 WeakPolarHBondContact O-CB 3.19Å; S201-T213 PolarHBondContact O-OG1 3.2Å; T213-V218 HydrophobicContact CG2-CG1 3.82Å; T213-A248 HydrophobicContact CG2-CB 4.18Å; T213-A248 PolarHBondContact N-O 3.19Å; T213-A248 VanDerWaalsContact N-O 3.08Å; T213-A248 PolarHBondContact O-N 2.84Å |
| 214 | N | 91.3 | Very high | 87 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -79.9 | 152.1 | 171.6 | -67.3 | 127.9 | 0 | 0 | 0 | 112.8 | H216 V217 D246 G325 I338 N339 I351 | N214-H216 VanDerWaalsContact C-N 3.33Å; N214-H216 VanDerWaalsContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-ND1 3.5Å; N214-H216 PolarHBondContact O-N 2.88Å; N214-V217 HydrophobicContact CB-CG2 4.03Å; N214-V217 PolarHBondContact O-N 2.91Å; N214-D246 WeakPolarHBondContact CA-O 3.3Å; N214-D246 PolarHBondContact ND2-O 3.01Å; N214-G325 WeakPolarHBondContact OD1-CA 3.46Å; N214-G325 PolarHBondContact OD1-N 3.44Å; N214-I338 VanDerWaalsContact ND2-CG2 3.33Å; N214-I338 WeakPolarHBondContact ND2-CG2 3.36Å; N214-N339 PolarHBondContact OD1-O 2.95Å; N214-I351 VanDerWaalsContact ND2-CD1 3.26Å; N214-I351 WeakPolarHBondContact ND2-CD1 3.41Å | ||
| 215 | A | 89 | Confident | 86.7 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V217 V218 A219 I241 D246 | A215-V217 PolarHBondContact O-N 2.86Å; A215-V218 PolarHBondContact O-N 3.45Å; A215-A219 PolarHBondContact O-N 2.97Å; A215-I241 HydrophobicContact CB-CG2 3.66Å; A215-D246 WeakPolarHBondContact CA-OD1 3.43Å; A215-D246 WeakPolarHBondContact CB-OD1 3.46Å; A215-D246 PolarHBondContact N-O 2.87Å; A215-D246 PolarHBondContact N-OD1 3.38Å |
| 216 | H | 85.1 | Confident | 86.6 | Confident | 86 Ų | 86 | 40.4 Ų | 40.4 | 40% | 0.398 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.3 | -24.6 | 178.9 | 73.4 | -98.9 | 0 | 0 | 0 | 113.6 | N214 V218 D246 S324 | N214-H216 VanDerWaalsContact C-N 3.33Å; N214-H216 VanDerWaalsContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-ND1 3.5Å; N214-H216 PolarHBondContact O-N 2.88Å; H216-V218 VanDerWaalsContact C-N 3.29Å; H216-V218 PolarHBondContact O-N 2.8Å; H216-D246 IonicContact CE1-OD2 2.9Å; H216-D246 PolarHBondContact CE1-OD2 2.83Å; H216-D246 IonicContact CG-OD1 3.32Å; H216-D246 IonicContact CG-OD2 3.29Å; H216-D246 PolarHBondContact N-OD1 2.91Å; H216-D246 IonicContact ND1-OD1 3.02Å; H216-D246 PolarHBondContact ND1-OD1 3.11Å; H216-D246 IonicContact ND1-OD2 3.59Å; H216-D246 PolarHBondContact ND1-OD2 2.97Å; H216-S324 PolarHBondContact NE2-OG 3.11Å |
| 217 | V | 85.3 | Confident | 86.5 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.6 | -27 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | I182 L184 N214 A215 | I182-V217 HydrophobicContact CB-CG1 4.12Å; I182-V217 HydrophobicContact CD1-CG1 4.48Å; I182-V217 HydrophobicContact CG2-CG1 3.98Å; L184-V217 WeakPolarHBondContact CD1-O 3.5Å; L184-V217 WeakPolarHBondContact CG-O 3.39Å; N214-V217 HydrophobicContact CB-CG2 4.03Å; N214-V217 PolarHBondContact O-N 2.91Å; A215-V217 PolarHBondContact O-N 2.86Å |
| 218 | V | 84.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -115.6 | 8.7 | -177.8 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | I182 T213 A215 H216 V224 I238 I241 A248 I250 | I182-V218 HydrophobicContact CG2-CG1 4.23Å; T213-V218 HydrophobicContact CG2-CG1 3.82Å; A215-V218 PolarHBondContact O-N 3.45Å; H216-V218 VanDerWaalsContact C-N 3.29Å; H216-V218 PolarHBondContact O-N 2.8Å; V218-V224 HydrophobicContact CG1-CG1 4.31Å; V218-V224 HydrophobicContact CG1-CG2 4.48Å; V218-I238 HydrophobicContact CB-CD1 4.44Å; V218-I241 HydrophobicContact CG2-CD1 4.41Å; V218-A248 HydrophobicContact CG2-CB 3.43Å; V218-A248 VanDerWaalsContact CG2-CB 3.43Å; V218-I250 HydrophobicContact CG1-CG2 4.19Å |
| 219 | A | 67.8 | Low | 86.1 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 31% | 0.314 | 18% | 0.178 | S | C | . | . | trans | -63.5 | 150.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | A215 | A215-A219 PolarHBondContact O-N 2.97Š| ||
| 220 | N | 60.7 | Low | 85.8 | Confident | 112 Ų | 112 | 41.6 Ų | 41.6 | 60% | 0.599 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 83.5 | 31.3 | 172.1 | -56.4 | -37.6 | 0 | 0 | 0 | 119.7 | H222 | N220-H222 PolarHBondContact O-N 2.89Š|
| 221 | K | 57 | Low | 85.4 | Confident | 136 Ų | 136 | 41 Ų | 41 | 59% | 0.591 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 51 | 27.8 | 165 | -61.2 | -166.8 | 174.3 | -162.4 | 0 | 115.3 | D475 | K221-D475 PolarHBondContact NZ-O 3.43Š|
| 222 | H | 67.8 | Low | 85 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 160.7 | 172.8 | -69.8 | -38.2 | 0 | 0 | 0 | 110.4 | L184 F185 N220 V224 | L184-H222 HydrophobicContact CB-CB 4.33Å; L184-H222 HydrophobicContact CD2-CB 4.02Å; F185-H222 WeakPolarHBondContact O-CB 3.33Å; N220-H222 PolarHBondContact O-N 2.89Å; H222-V224 PolarHBondContact O-N 3.17Å |
| 223 | R | 82.9 | Confident | 84.8 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 118.3 | 176.7 | -159.1 | 171.7 | 88.1 | -132.8 | -20 | 107.5 | F185 E194 D235 | F185-R223 PolarHBondContact N-O 2.88Å; F185-R223 PolarHBondContact O-N 3.47Å; F185-R223 VanDerWaalsContact O-N 3.16Å; E194-R223 VanDerWaalsContact CD-NH2 3.34Å; E194-R223 IonicContact OE1-CZ 2.85Å; E194-R223 VanDerWaalsContact OE1-CZ 3.25Å; E194-R223 IonicContact OE1-NH1 3.7Å; E194-R223 PolarHBondContact OE1-NH1 2.99Å; E194-R223 IonicContact OE1-NH2 3.98Å; E194-R223 PolarHBondContact OE1-NH2 3.47Å; E194-R223 IonicContact OE2-CZ 2.64Å; E194-R223 IonicContact OE2-NH1 3.88Å; E194-R223 IonicContact OE2-NH2 3.69Å; E194-R223 PolarHBondContact OE2-NH2 2.96Å; R223-D235 WeakPolarHBondContact CD-OD1 3.39Å; R223-D235 IonicContact CZ-OD1 3.43Å; R223-D235 IonicContact NE-OD1 3.79Å; R223-D235 PolarHBondContact NE-OD1 3.39Å; R223-D235 IonicContact NE-OD2 3.18Å; R223-D235 IonicContact NH2-OD1 2.74Å |
| 224 | V | 89.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.5 | 178.9 | -172 | 0 | 0 | 0 | 0 | 107.8 | I182 L184 V218 H222 A236 I238 I250 | I182-V224 HydrophobicContact CG2-CG1 3.67Å; L184-V224 HydrophobicContact CD2-CB 4.48Å; L184-V224 HydrophobicContact CD2-CG2 3.72Å; V218-V224 HydrophobicContact CG1-CG1 4.31Å; V218-V224 HydrophobicContact CG1-CG2 4.48Å; H222-V224 PolarHBondContact O-N 3.17Å; V224-A236 HydrophobicContact CB-CB 4.12Å; V224-A236 HydrophobicContact CG1-CB 4Å; V224-A236 PolarHBondContact O-N 3.3Å; V224-I238 HydrophobicContact CG2-CD1 4.41Å; V224-I238 HydrophobicContact CG2-CG1 4.39Å; V224-I250 HydrophobicContact CG1-CD1 4.34Å |
| 225 | K | 92.4 | Very high | 84.9 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 145.6 | 165.4 | -68.9 | -166.7 | -171.8 | 173.1 | 0 | 110.1 | I182 E183 F185 Y234 | I182-K225 WeakPolarHBondContact CA-O 3.5Å; E183-K225 PolarHBondContact N-O 2.71Å; E183-K225 PolarHBondContact O-N 3Å; F185-K225 HydrophobicContact CD2-CB 4.23Å; F185-K225 HydrophobicContact CD2-CD 3.96Å; F185-K225 HydrophobicContact CD2-CG 3.87Å; F185-K225 HydrophobicContact CE2-CB 3.9Å; F185-K225 HydrophobicContact CE2-CD 3.56Å; F185-K225 HydrophobicContact CE2-CG 3.81Å; F185-K225 HydrophobicContact CZ-CD 4.27Å; K225-Y234 WeakPolarHBondContact CA-O 3.49Å |
| 226 | V | 94.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.5 | 172.5 | 176 | 0 | 0 | 0 | 0 | 108.1 | V180 H181 I182 I211 L228 T233 Y234 A236 I250 I252 | V180-V226 HydrophobicContact CB-CG1 3.66Å; V180-V226 HydrophobicContact CG1-CG1 4.04Å; V180-V226 HydrophobicContact CG2-CG1 3.8Å; H181-V226 CarbonylContact O-C 3.59Å; H181-V226 VanDerWaalsContact O-CA 3.31Å; H181-V226 WeakPolarHBondContact O-CA 3.49Å; I182-V226 HydrophobicContact CG1-CG2 4.4Å; I211-V226 HydrophobicContact CD1-CB 4.48Å; I211-V226 HydrophobicContact CD1-CG1 3.78Å; I211-V226 HydrophobicContact CD1-CG2 4.15Å; V226-L228 HydrophobicContact CG1-CD2 4.34Å; V226-T233 CarbonylContact O-C 3.44Å; V226-T233 VanDerWaalsContact O-CA 3.3Å; V226-T233 WeakPolarHBondContact O-CA 3.31Å; V226-Y234 PolarHBondContact N-O 2.97Å; V226-Y234 PolarHBondContact O-N 3.15Å; V226-A236 HydrophobicContact CG2-CB 3.72Å; V226-I250 HydrophobicContact CG2-CD1 3.68Å; V226-I252 HydrophobicContact CB-CG2 3.91Å; V226-I252 HydrophobicContact CG1-CD1 4.36Å; V226-I252 HydrophobicContact CG2-CG2 3.85Å |
| 227 | E | 93.7 | Very high | 85.5 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.6 | 171.3 | -172.7 | -173.4 | 154.1 | 0 | 0 | 109.8 | H181 A232 T233 S283 | H181-E227 HydrophobicContact CB-CB 4.17Å; H181-E227 IonicContact CD2-OE2 3.43Å; H181-E227 PolarHBondContact N-O 2.88Å; H181-E227 PolarHBondContact O-N 2.85Å; E227-A232 WeakPolarHBondContact CA-O 3.21Å; E227-T233 HydrophobicContact CB-CG2 3.92Å; E227-T233 HydrophobicContact CG-CG2 3.82Å; E227-S283 VanDerWaalsContact OE1-CA 3.28Å; E227-S283 WeakPolarHBondContact OE1-CA 3.3Å; E227-S283 WeakPolarHBondContact OE1-CB 3.15Å; E227-S283 WeakPolarHBondContact OE2-CA 3.44Å; E227-S283 WeakPolarHBondContact OE2-CB 3.36Å; E227-S283 PolarHBondContact OE2-OG 3.08Å |
| 228 | L | 92.9 | Very high | 85.8 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | trans | -83.6 | 164.1 | 176.7 | -55.4 | -176.3 | 0 | 0 | 0 | 110.9 | V180 V226 S230 G231 A232 Y234 I252 L258 | V180-L228 HydrophobicContact CG1-CD2 3.54Å; V226-L228 HydrophobicContact CG1-CD2 4.34Å; L228-S230 PolarHBondContact O-N 3.08Å; L228-G231 PolarHBondContact O-N 2.95Å; L228-A232 PolarHBondContact N-O 3.2Å; L228-Y234 HydrophobicContact CD1-CD2 4.25Å; L228-Y234 HydrophobicContact CD1-CE2 3.63Å; L228-Y234 HydrophobicContact CG-CD2 4.25Å; L228-Y234 HydrophobicContact CG-CE2 4.04Å; L228-I252 HydrophobicContact CD2-CD1 4.07Å; L228-L258 HydrophobicContact CD1-CD2 3.8Å | ||
| 229 | K | 89.2 | Confident | 86.1 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -27.3 | 173.5 | -177 | 178.1 | 178.8 | -177.7 | 0 | 113.9 | A176 P177 G231 | A176-K229 HydrophobicContact CB-CD 4.3Å; P177-K229 HydrophobicContact CB-CD 4.44Å; P177-K229 HydrophobicContact CG-CD 4.34Å; K229-G231 PolarHBondContact O-N 3.02Å |
| 230 | S | 88.3 | Confident | 87.2 | Confident | 94 Ų | 94 | 61.7 Ų | 61.7 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9 | 176.2 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | L228 A232 | L228-S230 PolarHBondContact O-N 3.08Å; S230-A232 VanDerWaalsContact C-N 3.3Å; S230-A232 WeakPolarHBondContact OG-CB 3.33Å; S230-A232 PolarHBondContact OG-N 3.39Å |
| 231 | G | 89.2 | Confident | 88.5 | Confident | 30 Ų | 30 | 58 Ų | 58 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 84.1 | -1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L228 K229 | L228-G231 PolarHBondContact O-N 2.95Å; K229-G231 PolarHBondContact O-N 3.02Å |
| 232 | A | 90.9 | Very high | 89.9 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | trans | -71.7 | 133.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E227 L228 S230 Y234 | E227-A232 WeakPolarHBondContact CA-O 3.21Å; L228-A232 PolarHBondContact N-O 3.2Å; S230-A232 VanDerWaalsContact C-N 3.3Å; S230-A232 WeakPolarHBondContact OG-CB 3.33Å; S230-A232 PolarHBondContact OG-N 3.39Å; A232-Y234 HydrophobicContact CB-CE2 3.67Å | ||
| 233 | T | 93.1 | Very high | 90.7 | Very high | 86 Ų | 86 | 58 Ų | 58 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.9 | -178.3 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | V226 E227 | V226-T233 CarbonylContact O-C 3.44Å; V226-T233 VanDerWaalsContact O-CA 3.3Å; V226-T233 WeakPolarHBondContact O-CA 3.31Å; E227-T233 HydrophobicContact CB-CG2 3.92Å; E227-T233 HydrophobicContact CG-CG2 3.82Å |
| 234 | Y | 94.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.8 | -178.2 | -61.2 | -88.9 | 0 | 0 | 0 | 110.7 | K225 V226 L228 A232 I252 V254 | K225-Y234 WeakPolarHBondContact CA-O 3.49Å; V226-Y234 PolarHBondContact N-O 2.97Å; V226-Y234 PolarHBondContact O-N 3.15Å; L228-Y234 HydrophobicContact CD1-CD2 4.25Å; L228-Y234 HydrophobicContact CD1-CE2 3.63Å; L228-Y234 HydrophobicContact CG-CD2 4.25Å; L228-Y234 HydrophobicContact CG-CE2 4.04Å; A232-Y234 HydrophobicContact CB-CE2 3.67Å; Y234-I252 HydrophobicContact CD2-CD1 4.29Å; Y234-I252 HydrophobicContact CG-CD1 4.47Å; Y234-V254 HydrophobicContact CD1-CG1 3.97Å; Y234-V254 HydrophobicContact CD2-CG1 4.15Å; Y234-V254 HydrophobicContact CE1-CB 4.46Å; Y234-V254 HydrophobicContact CE1-CG1 3.77Å; Y234-V254 HydrophobicContact CE2-CG1 3.96Å; Y234-V254 HydrophobicContact CG-CG1 4.15Å |
| 235 | D | 94.1 | Very high | 90.1 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.2 | 167.8 | -72.7 | -50.8 | 0 | 0 | 0 | 109.4 | R223 | R223-D235 WeakPolarHBondContact CD-OD1 3.39Å; R223-D235 IonicContact CZ-OD1 3.43Å; R223-D235 IonicContact NE-OD1 3.79Å; R223-D235 PolarHBondContact NE-OD1 3.39Å; R223-D235 IonicContact NE-OD2 3.18Å; R223-D235 IonicContact NH2-OD1 2.74Å |
| 236 | A | 94.5 | Very high | 89.8 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 12% | 0.116 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 143.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V224 V226 I250 K251 I252 | V224-A236 HydrophobicContact CB-CB 4.12Å; V224-A236 HydrophobicContact CG1-CB 4Å; V224-A236 PolarHBondContact O-N 3.3Å; V226-A236 HydrophobicContact CG2-CB 3.72Å; A236-I250 HydrophobicContact CB-CB 4.38Å; A236-I250 HydrophobicContact CB-CD1 4.02Å; A236-I250 HydrophobicContact CB-CG1 4.42Å; A236-K251 WeakPolarHBondContact CA-O 3.31Å; A236-I252 HydrophobicContact CB-CG2 3.64Å |
| 237 | K | 92.6 | Very high | 89.7 | Confident | 129 Ų | 129 | 58.8 Ų | 58.8 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.4 | 171.9 | -65.9 | 174.3 | -174.9 | 160.4 | 0 | 109.2 | K239 I250 K251 | K237-K239 PolarHBondContact O-N 3.04Å; K237-I250 CarbonylContact O-C 3.57Å; K237-I250 VanDerWaalsContact O-CA 3.29Å; K237-I250 WeakPolarHBondContact O-CA 3.03Å; K237-K251 PolarHBondContact N-O 2.92Å; K237-K251 PolarHBondContact O-N 2.86Å |
| 238 | I | 90.9 | Very high | 89.7 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 30% | 0.303 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 127.7 | 171.3 | -59.1 | 171.8 | 0 | 0 | 0 | 107.9 | V218 V224 I241 I250 | V218-I238 HydrophobicContact CB-CD1 4.44Å; V224-I238 HydrophobicContact CG2-CD1 4.41Å; V224-I238 HydrophobicContact CG2-CG1 4.39Å; I238-I241 HydrophobicContact CD1-CD1 4.26Å; I238-I241 HydrophobicContact CG2-CD1 3.49Å; I238-I241 VanDerWaalsContact CG2-CD1 3.49Å; I238-I241 HydrophobicContact CG2-CG1 3.55Å; I238-I250 HydrophobicContact CG1-CG2 4.2Å |
| 239 | K | 90.9 | Very high | 89.8 | Confident | 93 Ų | 93 | 57 Ų | 57 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -37.4 | 178.9 | -70.7 | -64.4 | -173 | 171.7 | 0 | 112.2 | K237 L249 K251 | K237-K239 PolarHBondContact O-N 3.04Å; K239-L249 HydrophobicContact CB-CB 4.34Å; K239-L249 HydrophobicContact CB-CD2 4.17Å; K239-L249 HydrophobicContact CB-CG 4.09Å; K239-L249 PolarHBondContact N-O 2.95Å; K239-K251 HydrophobicContact CD-CB 4.2Å; K239-K251 VanDerWaalsContact CE-CB 3.47Å; K239-K251 HydrophobicContact CG-CB 3.68Å |
| 240 | D | 90.3 | Very high | 90.1 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 151.4 | -180 | -150.8 | -23.2 | 0 | 0 | 0 | 110.8 | A248 L249 F359 S363 R366 | D240-A248 WeakPolarHBondContact O-CA 2.9Å; D240-L249 HydrophobicContact CB-CB 4.17Å; D240-L249 PolarHBondContact N-O 3.42Å; D240-L249 PolarHBondContact O-N 3.42Å; D240-F359 HydrophobicContact CB-CE2 4.22Å; D240-F359 HydrophobicContact CB-CZ 3.82Å; D240-S363 VanDerWaalsContact CB-OG 3.24Å; D240-S363 WeakPolarHBondContact CB-OG 3.44Å; D240-S363 VanDerWaalsContact OD2-CA 3.29Å; D240-S363 WeakPolarHBondContact OD2-CA 3.44Å; D240-S363 WeakPolarHBondContact OD2-CB 3.41Å; D240-S363 PolarHBondContact OD2-OG 2.96Å; D240-R366 IonicContact OD1-NE 3.25Å; D240-R366 IonicContact OD1-NH2 3.91Å; D240-R366 IonicContact OD2-CZ 3.57Å; D240-R366 VanDerWaalsContact OD2-CZ 3.25Å; D240-R366 IonicContact OD2-NE 3.54Å; D240-R366 PolarHBondContact OD2-NE 2.82Å; D240-R366 IonicContact OD2-NH2 3.88Å; D240-R366 PolarHBondContact OD2-NH2 2.83Å |
| 241 | I | 88.9 | Confident | 90.5 | Very high | 35 Ų | 35 | 49 Ų | 49 | 18% | 0.179 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 128.1 | 178.9 | -62.1 | 174.1 | 0 | 0 | 0 | 109.3 | A215 V218 I238 E243 A248 | A215-I241 HydrophobicContact CB-CG2 3.66Å; V218-I241 HydrophobicContact CG2-CD1 4.41Å; I238-I241 HydrophobicContact CD1-CD1 4.26Å; I238-I241 HydrophobicContact CG2-CD1 3.49Å; I238-I241 VanDerWaalsContact CG2-CD1 3.49Å; I238-I241 HydrophobicContact CG2-CG1 3.55Å; I241-E243 HydrophobicContact CG2-CG 3.93Å; I241-A248 HydrophobicContact CG1-CB 4.05Å |
| 242 | D | 86.6 | Confident | 90.9 | Very high | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 99.5 | 163.3 | -173.3 | -13.1 | 0 | 0 | 0 | 109.8 | K244 A245 D246 I247 F359 | D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 3.3Å; D242-K244 WeakPolarHBondContact OD1-CA 3.38Å; D242-K244 WeakPolarHBondContact OD1-CB 3.39Å; D242-K244 PolarHBondContact OD1-N 2.86Å; D242-A245 HydrophobicContact CB-CB 4.09Å; D242-A245 PolarHBondContact O-N 2.94Å; D242-A245 PolarHBondContact OD1-N 2.9Å; D242-A245 WeakPolarHBondContact OD2-CB 3.35Å; D242-D246 WeakPolarHBondContact O-CA 3.32Å; D242-D246 PolarHBondContact O-N 3.23Å; D242-I247 PolarHBondContact N-O 3Å; D242-I247 PolarHBondContact O-N 3.23Å; D242-F359 HydrophobicContact CB-CD2 3.85Å; D242-F359 HydrophobicContact CB-CE2 3.83Å |
| 243 | E | 83.8 | Confident | 91.1 | Very high | 132 Ų | 132 | 50.7 Ų | 50.7 | 62% | 0.617 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.4 | 177.1 | -64.6 | 168.8 | 157.1 | 0 | 0 | 112.8 | I241 K376 | I241-E243 HydrophobicContact CG2-CG 3.93Å; E243-K376 IonicContact OE1-NZ 3.53Å; E243-K376 IonicContact OE2-NZ 2.68Å; E243-K376 PolarHBondContact OE2-NZ 3.1Å |
| 244 | K | 78.9 | Confident | 91.1 | Very high | 135 Ų | 135 | 48 Ų | 48 | 59% | 0.587 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -40.4 | 178.6 | -174.7 | -178.2 | 179.1 | -177.5 | 0 | 109.9 | D242 D309 | D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 3.3Å; D242-K244 WeakPolarHBondContact OD1-CA 3.38Å; D242-K244 WeakPolarHBondContact OD1-CB 3.39Å; D242-K244 PolarHBondContact OD1-N 2.86Å; K244-D309 IonicContact NZ-OD2 2.82Å |
| 245 | A | 81 | Confident | 90.9 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D242 I247 M310 I351 | D242-A245 HydrophobicContact CB-CB 4.09Å; D242-A245 PolarHBondContact O-N 2.94Å; D242-A245 PolarHBondContact OD1-N 2.9Å; D242-A245 WeakPolarHBondContact OD2-CB 3.35Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I247 HydrophobicContact CB-CD1 3.88Å; A245-I247 HydrophobicContact CB-CG1 3.9Å; A245-M310 VanDerWaalsContact CA-CE 3.42Å; A245-M310 HydrophobicContact CB-CE 4.06Å; A245-M310 HydrophobicContact CB-SD 3.78Å; A245-M310 WeakPolarHBondContact O-CE 3.36Å; A245-I351 WeakPolarHBondContact O-CD1 3.3Å |
| 246 | D | 86.9 | Confident | 90.8 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 45 | -170.9 | -166.6 | 24.8 | 0 | 0 | 0 | 112.9 | N214 A215 H216 D242 T340 I351 | N214-D246 WeakPolarHBondContact CA-O 3.3Å; N214-D246 PolarHBondContact ND2-O 3.01Å; A215-D246 WeakPolarHBondContact CA-OD1 3.43Å; A215-D246 WeakPolarHBondContact CB-OD1 3.46Å; A215-D246 PolarHBondContact N-O 2.87Å; A215-D246 PolarHBondContact N-OD1 3.38Å; H216-D246 IonicContact CE1-OD2 2.9Å; H216-D246 PolarHBondContact CE1-OD2 2.83Å; H216-D246 IonicContact CG-OD1 3.32Å; H216-D246 IonicContact CG-OD2 3.29Å; H216-D246 PolarHBondContact N-OD1 2.91Å; H216-D246 IonicContact ND1-OD1 3.02Å; H216-D246 PolarHBondContact ND1-OD1 3.11Å; H216-D246 IonicContact ND1-OD2 3.59Å; H216-D246 PolarHBondContact ND1-OD2 2.97Å; D242-D246 WeakPolarHBondContact O-CA 3.32Å; D242-D246 PolarHBondContact O-N 3.23Å; D246-T340 WeakPolarHBondContact OD2-CG2 3.38Å; D246-I351 HydrophobicContact CB-CD1 4.2Å; D246-I351 VanDerWaalsContact O-CD1 3.32Å; D246-I351 WeakPolarHBondContact O-CD1 3.34Å |
| 247 | I | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.3 | 177.8 | -50.3 | 174.4 | 0 | 0 | 0 | 109.3 | V212 D242 A245 I338 I351 I356 F359 | V212-I247 HydrophobicContact CG1-CG2 4.11Å; D242-I247 PolarHBondContact N-O 3Å; D242-I247 PolarHBondContact O-N 3.23Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I247 HydrophobicContact CB-CD1 3.88Å; A245-I247 HydrophobicContact CB-CG1 3.9Å; I247-I338 HydrophobicContact CG1-CD1 4.15Å; I247-I338 HydrophobicContact CG2-CD1 4.01Å; I247-I351 HydrophobicContact CD1-CG2 3.83Å; I247-I351 HydrophobicContact CG1-CD1 4.08Å; I247-I351 HydrophobicContact CG1-CG2 4.07Å; I247-I356 HydrophobicContact CD1-CG1 4.43Å; I247-F359 HydrophobicContact CB-CD1 4.33Å; I247-F359 HydrophobicContact CB-CE1 4.41Å; I247-F359 HydrophobicContact CB-CG 4.42Å; I247-F359 HydrophobicContact CD1-CB 4.24Å; I247-F359 HydrophobicContact CG2-CD1 3.55Å; I247-F359 HydrophobicContact CG2-CE1 3.62Å; I247-F359 HydrophobicContact CG2-CG 4.09Å; I247-F359 HydrophobicContact CG2-CZ 4.26Å |
| 248 | A | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V212 T213 V218 D240 I241 | V212-A248 WeakPolarHBondContact CA-O 3.48Å; T213-A248 HydrophobicContact CG2-CB 4.18Å; T213-A248 PolarHBondContact N-O 3.19Å; T213-A248 VanDerWaalsContact N-O 3.08Å; T213-A248 PolarHBondContact O-N 2.84Å; V218-A248 HydrophobicContact CG2-CB 3.43Å; V218-A248 VanDerWaalsContact CG2-CB 3.43Å; D240-A248 WeakPolarHBondContact O-CA 2.9Å; I241-A248 HydrophobicContact CG1-CB 4.05Å |
| 249 | L | 95.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.9 | 170.9 | -172.9 | 62 | 0 | 0 | 0 | 108.8 | L210 V212 K239 D240 F359 L360 | L210-L249 HydrophobicContact CB-CD1 4.23Å; L210-L249 HydrophobicContact CD2-CD1 4.18Å; L210-L249 HydrophobicContact CD2-CD2 4.27Å; L210-L249 HydrophobicContact CD2-CG 4.22Å; V212-L249 HydrophobicContact CG2-CD1 4.09Å; K239-L249 HydrophobicContact CB-CB 4.34Å; K239-L249 HydrophobicContact CB-CD2 4.17Å; K239-L249 HydrophobicContact CB-CG 4.09Å; K239-L249 PolarHBondContact N-O 2.95Å; D240-L249 HydrophobicContact CB-CB 4.17Å; D240-L249 PolarHBondContact N-O 3.42Å; D240-L249 PolarHBondContact O-N 3.42Å; L249-F359 HydrophobicContact CB-CE1 3.83Å; L249-F359 HydrophobicContact CB-CZ 4.09Å; L249-L360 HydrophobicContact CD1-CD2 3.71Å; L249-L360 HydrophobicContact CD2-CD2 4.12Å; L249-L360 HydrophobicContact CG-CD2 4.45Å |
| 250 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 159.4 | 173.8 | 70.8 | -179.3 | 0 | 0 | 0 | 110.4 | I182 I211 V218 V224 V226 A236 K237 I238 | I182-I250 HydrophobicContact CD1-CD1 3.87Å; I211-I250 HydrophobicContact CB-CD1 4.27Å; I211-I250 HydrophobicContact CB-CG1 3.68Å; I211-I250 HydrophobicContact CG2-CD1 4.02Å; I211-I250 HydrophobicContact CG2-CG1 3.9Å; I211-I250 PolarHBondContact N-O 2.81Å; I211-I250 PolarHBondContact O-N 3.09Å; V218-I250 HydrophobicContact CG1-CG2 4.19Å; V224-I250 HydrophobicContact CG1-CD1 4.34Å; V226-I250 HydrophobicContact CG2-CD1 3.68Å; A236-I250 HydrophobicContact CB-CB 4.38Å; A236-I250 HydrophobicContact CB-CD1 4.02Å; A236-I250 HydrophobicContact CB-CG1 4.42Å; K237-I250 CarbonylContact O-C 3.57Å; K237-I250 VanDerWaalsContact O-CA 3.29Å; K237-I250 WeakPolarHBondContact O-CA 3.03Å; I238-I250 HydrophobicContact CG1-CG2 4.2Å |
| 251 | K | 96 | Very high | 91.9 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.9 | 179.9 | 178.9 | 62.4 | 168.9 | 69.1 | 0 | 110.3 | D208 G209 L210 A236 K237 K239 D253 | D208-K251 WeakPolarHBondContact O-CE 3.41Å; D208-K251 PolarHBondContact O-NZ 3.27Å; D208-K251 WeakPolarHBondContact OD2-CE 3.18Å; G209-K251 WeakPolarHBondContact O-CA 3.42Å; G209-K251 WeakPolarHBondContact O-CD 3.43Å; L210-K251 HydrophobicContact CD2-CB 4.24Å; L210-K251 HydrophobicContact CD2-CD 3.92Å; L210-K251 HydrophobicContact CG-CD 4.21Å; A236-K251 WeakPolarHBondContact CA-O 3.31Å; K237-K251 PolarHBondContact N-O 2.92Å; K237-K251 PolarHBondContact O-N 2.86Å; K239-K251 HydrophobicContact CD-CB 4.2Å; K239-K251 VanDerWaalsContact CE-CB 3.47Å; K239-K251 HydrophobicContact CG-CB 3.68Å; K251-D253 IonicContact NZ-OD1 3.8Å; K251-D253 PolarHBondContact NZ-OD1 3.3Å |
| 252 | I | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 150.3 | 166.2 | 58 | 172.7 | 0 | 0 | 0 | 110.2 | G209 I211 V226 L228 Y234 A236 V254 L258 | G209-I252 PolarHBondContact O-N 3.35Å; I211-I252 HydrophobicContact CD1-CD1 3.78Å; I211-I252 HydrophobicContact CD1-CG1 3.88Å; I211-I252 HydrophobicContact CD1-CG2 4.26Å; V226-I252 HydrophobicContact CB-CG2 3.91Å; V226-I252 HydrophobicContact CG1-CD1 4.36Å; V226-I252 HydrophobicContact CG2-CG2 3.85Å; L228-I252 HydrophobicContact CD2-CD1 4.07Å; Y234-I252 HydrophobicContact CD2-CD1 4.29Å; Y234-I252 HydrophobicContact CG-CD1 4.47Å; A236-I252 HydrophobicContact CB-CG2 3.64Å; I252-V254 HydrophobicContact CD1-CG1 3.68Å; I252-V254 HydrophobicContact CG1-CG1 3.99Å; I252-L258 HydrophobicContact CD1-CD1 3.99Å; I252-L258 HydrophobicContact CG1-CD1 4.46Å |
| 253 | D | 95.9 | Very high | 92.8 | Very high | 99 Ų | 99 | 53.2 Ų | 53.2 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | trans | -104.4 | 110.3 | 177 | -63.2 | -40.2 | 0 | 0 | 0 | 108.9 | K251 | K251-D253 IonicContact NZ-OD1 3.8Å; K251-D253 PolarHBondContact NZ-OD1 3.3Å | ||
| 254 | V | 93.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.17 | 25% | 0.253 | C | S | . | . | trans | -120.3 | 145.3 | -174.7 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | Y234 I252 T256 L258 | Y234-V254 HydrophobicContact CD1-CG1 3.97Å; Y234-V254 HydrophobicContact CD2-CG1 4.15Å; Y234-V254 HydrophobicContact CE1-CB 4.46Å; Y234-V254 HydrophobicContact CE1-CG1 3.77Å; Y234-V254 HydrophobicContact CE2-CG1 3.96Å; Y234-V254 HydrophobicContact CG-CG1 4.15Å; I252-V254 HydrophobicContact CD1-CG1 3.68Å; I252-V254 HydrophobicContact CG1-CG1 3.99Å; V254-T256 VanDerWaalsContact C-N 3.3Å; V254-T256 VanDerWaalsContact CG2-O 3.24Å; V254-T256 WeakPolarHBondContact CG2-O 3.33Å; V254-T256 PolarHBondContact O-N 2.99Å; V254-L258 HydrophobicContact CB-CD2 4.47Å; V254-L258 HydrophobicContact CG1-CD1 4.37Å; V254-L258 HydrophobicContact CG1-CD2 4.34Å; V254-L258 HydrophobicContact CG2-CD1 4.03Å; V254-L258 HydrophobicContact CG2-CD2 4.11Å; V254-L258 HydrophobicContact CG2-CG 3.85Å | ||
| 255 | P | 89.8 | Confident | 94.2 | Very high | 117 Ų | 117 | 47.4 Ų | 47.4 | 76% | 0.76 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -76.1 | -19 | -179 | 30 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 256 | T | 91.4 | Very high | 94.8 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 56% | 0.564 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -122.1 | 149.9 | -175.5 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | V254 L258 | V254-T256 VanDerWaalsContact C-N 3.3Å; V254-T256 VanDerWaalsContact CG2-O 3.24Å; V254-T256 WeakPolarHBondContact CG2-O 3.33Å; V254-T256 PolarHBondContact O-N 2.99Å; T256-L258 PolarHBondContact O-N 2.88Å |
| 257 | K | 94.6 | Very high | 95.1 | Very high | 154 Ų | 154 | 49.6 Ų | 49.6 | 67% | 0.67 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 136.2 | 172.4 | -68.6 | -176 | 166.9 | -146.2 | 0 | 111 | E207 | E207-K257 HydrophobicContact CB-CB 4.28Å; E207-K257 HydrophobicContact CB-CG 4.36Å; E207-K257 WeakPolarHBondContact O-CA 3.18Å; E207-K257 WeakPolarHBondContact OE2-CD 3.03Å; E207-K257 WeakPolarHBondContact OE2-CE 3.32Å; E207-K257 IonicContact OE2-NZ 2.78Å; E207-K257 PolarHBondContact OE2-NZ 3.16Å |
| 258 | L | 96.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 150.4 | 178.4 | -61.3 | -179.4 | 0 | 0 | 0 | 112.2 | V204 E207 L228 I252 V254 T256 | V204-L258 HydrophobicContact CG1-CB 3.91Å; V204-L258 HydrophobicContact CG1-CD1 3.97Å; V204-L258 HydrophobicContact CG2-CD1 4.06Å; E207-L258 PolarHBondContact O-N 3.18Å; L228-L258 HydrophobicContact CD1-CD2 3.8Å; I252-L258 HydrophobicContact CD1-CD1 3.99Å; I252-L258 HydrophobicContact CG1-CD1 4.46Å; V254-L258 HydrophobicContact CB-CD2 4.47Å; V254-L258 HydrophobicContact CG1-CD1 4.37Å; V254-L258 HydrophobicContact CG1-CD2 4.34Å; V254-L258 HydrophobicContact CG2-CD1 4.03Å; V254-L258 HydrophobicContact CG2-CD2 4.11Å; V254-L258 HydrophobicContact CG2-CG 3.85Å; T256-L258 PolarHBondContact O-N 2.88Å |
| 259 | P | 95.9 | Very high | 95.2 | Very high | 62 Ų | 62 | 54.5 Ų | 54.5 | 40% | 0.403 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 141 | 163 | 29.6 | -34.7 | 0 | 0 | 0 | 109.7 | P177 A178 V204 | P177-P259 HydrophobicContact CB-CB 4.06Å; P177-P259 HydrophobicContact CB-CG 3.7Å; P177-P259 VanDerWaalsContact O-CG 3.27Å; P177-P259 WeakPolarHBondContact O-CG 3.38Å; A178-P259 HydrophobicContact CB-CB 4.28Å; A178-P259 HydrophobicContact CB-CG 4.42Å; A178-P259 WeakPolarHBondContact CB-O 3.26Å; V204-P259 WeakPolarHBondContact CB-O 3.13Å |
| 260 | V | 97.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | trans | -124.3 | 151.4 | -174.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | V204 E207 | V204-V260 HydrophobicContact CG1-CG1 4.08Å; E207-V260 HydrophobicContact CB-CG1 4.45Å; E207-V260 HydrophobicContact CG-CG1 3.95Å; E207-V260 VanDerWaalsContact N-CG1 3.32Å | ||
| 261 | L | 97.8 | Very high | 95 | Very high | 12 Ų | 12 | 66.5 Ų | 66.5 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 140.6 | 165.5 | -57.7 | -177.6 | 0 | 0 | 0 | 110.7 | I175 A178 F203 V204 P327 V335 | I175-L261 HydrophobicContact CB-CD1 4.41Å; I175-L261 HydrophobicContact CB-CD2 3.76Å; I175-L261 HydrophobicContact CG2-CD2 3.85Å; A178-L261 HydrophobicContact CB-CD1 4.48Å; A178-L261 HydrophobicContact CB-CD2 3.86Å; A178-L261 HydrophobicContact CB-CG 3.68Å; F203-L261 HydrophobicContact CB-CD1 3.97Å; F203-L261 HydrophobicContact CD2-CB 4.41Å; F203-L261 HydrophobicContact CD2-CD1 4.37Å; F203-L261 HydrophobicContact CG-CD1 4.36Å; V204-L261 PolarHBondContact O-N 3.03Å; L261-P327 HydrophobicContact CD1-CB 4.08Å; L261-P327 HydrophobicContact CD1-CG 3.72Å; L261-V335 HydrophobicContact CB-CG2 3.55Å; L261-V335 HydrophobicContact CD1-CG2 3.75Å; L261-V335 HydrophobicContact CG-CG2 4.29Å |
| 262 | L | 97.4 | Very high | 94.9 | Very high | 121 Ų | 121 | 67.2 Ų | 67.2 | 63% | 0.634 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 146.1 | 176.5 | -57.2 | 179.8 | 0 | 0 | 0 | 110.1 | V335 | L262-V335 PolarHBondContact O-N 3.08Š|
| 263 | L | 97.5 | Very high | 94.9 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 119.3 | 175.9 | -59.5 | -175.7 | 0 | 0 | 0 | 110.5 | F203 V335 I356 R357 L360 | F203-L263 HydrophobicContact CE2-CD2 4.27Å; L263-V335 HydrophobicContact CD2-CB 3.82Å; L263-V335 HydrophobicContact CD2-CG1 4Å; L263-I356 HydrophobicContact CD1-CB 4.12Å; L263-I356 HydrophobicContact CD1-CG2 3.96Å; L263-I356 HydrophobicContact CD2-CD1 4.34Å; L263-I356 HydrophobicContact CD2-CG2 4.35Å; L263-R357 HydrophobicContact CD1-CB 4.16Å; L263-R357 PolarHBondContact O-NH2 3.09Å; L263-L360 HydrophobicContact CD1-CD1 3.94Å |
| 264 | G | 96.6 | Very high | 95 | Very high | 3 Ų | 3 | 69.2 Ų | 69.2 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | trans | -73.9 | -175.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | V335 S353 R357 | G264-V335 PolarHBondContact N-O 2.81Å; G264-S353 PolarHBondContact O-OG 3.35Å; G264-S353 VanDerWaalsContact O-OG 3.08Å; G264-R357 PolarHBondContact O-NH2 3.43Å | ||
| 265 | R | 95.8 | Very high | 95.2 | Very high | 143 Ų | 143 | 68 Ų | 68 | 54% | 0.54 | 37% | 0.367 | S | S | . | . | trans | -104 | 103.3 | 177.4 | -66 | -174.8 | 72 | -142.4 | 4.8 | 110 | A267 D268 | R265-A267 PolarHBondContact O-N 3.5Å; R265-D268 HydrophobicContact CB-CB 4.3Å; R265-D268 WeakPolarHBondContact CB-OD2 3.42Å; R265-D268 WeakPolarHBondContact CD-OD2 3.19Å; R265-D268 IonicContact CZ-OD1 3.61Å; R265-D268 IonicContact CZ-OD2 3.41Å; R265-D268 IonicContact NE-OD2 3.4Å; R265-D268 IonicContact NH1-OD1 2.76Å; R265-D268 PolarHBondContact NH1-OD1 3.36Å; R265-D268 IonicContact NH1-OD2 3.92Å; R265-D268 PolarHBondContact NH1-OD2 2.8Å; R265-D268 PolarHBondContact O-N 2.96Å; R265-D268 VanDerWaalsContact O-N 3.08Å | ||
| 266 | S | 94.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -60.4 | -27.7 | 177.2 | 45.4 | 0 | 0 | 0 | 0 | 113.7 | D268 L269 P352 S353 D354 | S266-D268 PolarHBondContact O-N 3.46Å; S266-L269 WeakPolarHBondContact O-CB 3.46Å; S266-L269 WeakPolarHBondContact O-CG 3.22Å; S266-L269 PolarHBondContact O-N 2.68Å; S266-P352 WeakPolarHBondContact OG-CB 3.44Å; S266-S353 VanDerWaalsContact CB-OG 3.29Å; S266-S353 WeakPolarHBondContact CB-OG 3.2Å; S266-S353 PolarHBondContact N-OG 3.29Å; S266-S353 PolarHBondContact OG-N 3.25Å; S266-S353 PolarHBondContact OG-OG 2.98Å; S266-D354 PolarHBondContact N-OD2 3.12Å; S266-D354 VanDerWaalsContact N-OD2 3.13Å; S266-D354 WeakPolarHBondContact OG-CB 3.48Å; S266-D354 PolarHBondContact OG-N 3.35Å; S266-D354 PolarHBondContact OG-OD2 3.27Å |
| 267 | A | 91.8 | Very high | 95.9 | Very high | 71 Ų | 71 | 58 Ų | 58 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -64.3 | -23.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R265 D354 | R265-A267 PolarHBondContact O-N 3.5Å; A267-D354 PolarHBondContact N-OD2 3.03Å |
| 268 | D | 94.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -91.9 | -3 | -177.9 | -60.2 | -22.5 | 0 | 0 | 0 | 112.2 | R265 S266 | R265-D268 HydrophobicContact CB-CB 4.3Å; R265-D268 WeakPolarHBondContact CB-OD2 3.42Å; R265-D268 WeakPolarHBondContact CD-OD2 3.19Å; R265-D268 IonicContact CZ-OD1 3.61Å; R265-D268 IonicContact CZ-OD2 3.41Å; R265-D268 IonicContact NE-OD2 3.4Å; R265-D268 IonicContact NH1-OD1 2.76Å; R265-D268 PolarHBondContact NH1-OD1 3.36Å; R265-D268 IonicContact NH1-OD2 3.92Å; R265-D268 PolarHBondContact NH1-OD2 2.8Å; R265-D268 PolarHBondContact O-N 2.96Å; R265-D268 VanDerWaalsContact O-N 3.08Å; S266-D268 PolarHBondContact O-N 3.46Å |
| 269 | L | 94.4 | Very high | 95.7 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | trans | -61.4 | 142.6 | 179.2 | -75.7 | 172.1 | 0 | 0 | 0 | 111.8 | S266 E273 V293 T296 I313 I336 | S266-L269 WeakPolarHBondContact O-CB 3.46Å; S266-L269 WeakPolarHBondContact O-CG 3.22Å; S266-L269 PolarHBondContact O-N 2.68Å; L269-E273 WeakPolarHBondContact CD2-OE2 3.27Å; L269-V293 HydrophobicContact CD2-CG2 4.29Å; L269-T296 HydrophobicContact CB-CG2 3.42Å; L269-T296 VanDerWaalsContact CB-CG2 3.42Å; L269-T296 HydrophobicContact CD1-CG2 4.34Å; L269-I313 HydrophobicContact CD1-CD1 3.58Å; L269-I313 HydrophobicContact CD1-CG1 4Å; L269-I313 HydrophobicContact CD1-CG2 4.36Å; L269-I336 HydrophobicContact CD1-CB 4.14Å; L269-I336 HydrophobicContact CD1-CD1 3.94Å; L269-I336 HydrophobicContact CD1-CG1 4.4Å; L269-I336 HydrophobicContact CD2-CB 4.06Å; L269-I336 HydrophobicContact CD2-CD1 4.24Å; L269-I336 HydrophobicContact CD2-CG1 4.07Å; L269-I336 HydrophobicContact CD2-CG2 4.04Å; L269-I336 HydrophobicContact CG-CB 4.41Å | ||
| 270 | R | 93.4 | Very high | 95.3 | Very high | 165 Ų | 165 | 47.5 Ų | 47.5 | 62% | 0.623 | 25% | 0.252 | S | S | * | . | trans | -112.4 | 139.6 | 173.7 | -61.8 | 175.3 | -64 | 160.2 | 4.9 | 111 | G272 E273 | R270-G272 PolarHBondContact O-N 3.14Å; R270-E273 HydrophobicContact CB-CG 4.04Å; R270-E273 IonicContact CZ-OE1 3.97Å; R270-E273 VanDerWaalsContact CZ-OE1 3.3Å; R270-E273 PolarHBondContact N-OE2 3.23Å; R270-E273 IonicContact NE-OE1 3.38Å; R270-E273 PolarHBondContact NE-OE1 3.06Å; R270-E273 IonicContact NH2-OE1 2.89Å; R270-E273 PolarHBondContact NH2-OE1 3.01Å; R270-E273 WeakPolarHBondContact O-CB 3.07Å; R270-E273 WeakPolarHBondContact O-CG 3.34Å; R270-E273 PolarHBondContact O-N 2.76Å; R270-E273 VanDerWaalsContact O-N 3.12Å | ||
| 271 | P | 94.2 | Very high | 93.7 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 131.9 | 166.6 | -24.6 | 34.6 | 0 | 0 | 0 | 110.7 | V293 | P271-V293 CarbonylContact C-O 3.52Å; P271-V293 WeakPolarHBondContact CA-O 3.49Å |
| 272 | G | 93.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R270 F274 V293 | R270-G272 PolarHBondContact O-N 3.14Å; G272-F274 PolarHBondContact O-N 2.73Å; G272-V293 PolarHBondContact N-O 3.18Å |
| 273 | E | 97.6 | Very high | 90.5 | Very high | 44 Ų | 44 | 49 Ų | 49 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | trans | -66.7 | 134.4 | 174.8 | -78.3 | -178.3 | 174 | 0 | 0 | 112 | L269 R270 I292 V293 | L269-E273 WeakPolarHBondContact CD2-OE2 3.27Å; R270-E273 HydrophobicContact CB-CG 4.04Å; R270-E273 IonicContact CZ-OE1 3.97Å; R270-E273 VanDerWaalsContact CZ-OE1 3.3Å; R270-E273 PolarHBondContact N-OE2 3.23Å; R270-E273 IonicContact NE-OE1 3.38Å; R270-E273 PolarHBondContact NE-OE1 3.06Å; R270-E273 IonicContact NH2-OE1 2.89Å; R270-E273 PolarHBondContact NH2-OE1 3.01Å; R270-E273 WeakPolarHBondContact O-CB 3.07Å; R270-E273 WeakPolarHBondContact O-CG 3.34Å; R270-E273 PolarHBondContact O-N 2.76Å; R270-E273 VanDerWaalsContact O-N 3.12Å; E273-I292 CarbonylContact O-C 3.52Å; E273-I292 WeakPolarHBondContact O-CA 2.93Å; E273-V293 HydrophobicContact CB-CG2 4.46Å; E273-V293 PolarHBondContact O-N 3.5Å | ||
| 274 | F | 98.3 | Very high | 88.7 | Confident | 98 Ų | 98 | 53.2 Ų | 53.2 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.2 | 174.6 | -76.3 | -73.7 | 0 | 0 | 0 | 111.1 | F167 G272 G291 I292 L331 | F167-F274 HydrophobicContact CE2-CD2 4.28Å; F167-F274 HydrophobicContact CE2-CG 4.29Å; F167-F274 HydrophobicContact CZ-CD2 4.45Å; F167-F274 HydrophobicContact CZ-CE2 4.33Å; G272-F274 PolarHBondContact O-N 2.73Å; F274-G291 WeakPolarHBondContact CA-O 3.28Å; F274-I292 HydrophobicContact CD1-CG2 3.95Å; F274-I292 HydrophobicContact CE1-CG2 4.09Å; F274-I292 HydrophobicContact CG-CG2 4.45Å; F274-L331 HydrophobicContact CB-CD1 4.11Å; F274-L331 HydrophobicContact CB-CD2 3.81Å; F274-L331 HydrophobicContact CB-CG 4Å; F274-L331 HydrophobicContact CD2-CD1 4.44Å |
| 275 | V | 98.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.7 | 177.7 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | T290 G291 V293 T315 A317 L328 V329 I336 | V275-T290 WeakPolarHBondContact O-CA 3.39Å; V275-T290 PolarHBondContact O-OG1 3.43Å; V275-G291 PolarHBondContact N-O 2.93Å; V275-G291 PolarHBondContact O-N 2.86Å; V275-V293 HydrophobicContact CG1-CG2 3.62Å; V275-T315 WeakPolarHBondContact CG2-OG1 3.37Å; V275-A317 HydrophobicContact CG2-CB 4.48Å; V275-L328 HydrophobicContact CB-CD1 3.87Å; V275-L328 HydrophobicContact CB-CG 4.16Å; V275-L328 HydrophobicContact CG2-CD1 3.89Å; V275-L328 HydrophobicContact CG2-CG 4.47Å; V275-V329 CarbonylContact C-O 3.56Å; V275-V329 VanDerWaalsContact CA-O 3.22Å; V275-V329 WeakPolarHBondContact CA-O 3.41Å; V275-I336 HydrophobicContact CG1-CD1 3.98Å; V275-I336 HydrophobicContact CG1-CG1 4.38Å |
| 276 | V | 98 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118.7 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | I168 V171 V172 V288 V329 | I168-V276 HydrophobicContact CD1-CG2 3.8Å; I168-V276 HydrophobicContact CG2-CG2 3.99Å; V171-V276 HydrophobicContact CG1-CB 4.37Å; V171-V276 HydrophobicContact CG1-CG2 4.03Å; V172-V276 HydrophobicContact CG2-CG1 3.99Å; V276-V288 HydrophobicContact CG1-CG1 3.59Å; V276-V329 HydrophobicContact CB-CG2 3.8Å; V276-V329 PolarHBondContact N-O 3.31Å; V276-V329 PolarHBondContact O-N 3.47Å |
| 277 | A | 96.2 | Very high | 86 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | T289 A317 I319 L328 | A277-T289 PolarHBondContact N-O 3.37Å; A277-T289 PolarHBondContact O-N 3.48Å; A277-A317 HydrophobicContact CB-CB 4.22Å; A277-I319 HydrophobicContact CB-CG1 4.49Å; A277-L328 HydrophobicContact CB-CD1 3.79Å |
| 278 | I | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.8 | -178.4 | -172.7 | 166.1 | 0 | 0 | 0 | 110.5 | V172 I175 A176 V179 N286 T287 V288 P327 N339 | V172-I278 HydrophobicContact CG1-CD1 4.33Å; I175-I278 HydrophobicContact CD1-CB 4.34Å; I175-I278 HydrophobicContact CD1-CD1 4.22Å; I175-I278 HydrophobicContact CD1-CG2 3.65Å; I175-I278 HydrophobicContact CG1-CD1 4.09Å; I175-I278 HydrophobicContact CG1-CG2 4.27Å; A176-I278 HydrophobicContact CB-CD1 4.29Å; V179-I278 HydrophobicContact CG1-CG1 4.49Å; V179-I278 HydrophobicContact CG2-CD1 4.23Å; V179-I278 HydrophobicContact CG2-CG1 4.27Å; V179-I278 HydrophobicContact CG2-CG2 3.7Å; I278-N286 HydrophobicContact CD1-CB 4.42Å; I278-N286 HydrophobicContact CG1-CB 4.49Å; I278-T287 WeakPolarHBondContact CA-O 3.22Å; I278-V288 HydrophobicContact CD1-CG2 3.88Å; I278-V288 HydrophobicContact CG1-CG2 3.95Å; I278-P327 HydrophobicContact CG2-CG 3.64Å; I278-P327 PolarHBondContact N-O 2.94Å; I278-P327 WeakPolarHBondContact O-CD 3.47Å; I278-N339 PolarHBondContact O-ND2 2.8Å |
| 279 | G | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | -179.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S201 P281 N286 T287 | S201-G279 WeakPolarHBondContact OG-CA 3.44Å; G279-P281 WeakPolarHBondContact O-CD 3.33Å; G279-N286 CarbonylContact O-C 3.35Å; G279-N286 WeakPolarHBondContact O-CA 3.47Å; G279-T287 PolarHBondContact N-O 3.41Å; G279-T287 PolarHBondContact O-N 3.13Å |
| 280 | S | 87.2 | Confident | 86.1 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 79.8 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | H181 S201 F282 | H181-S280 WeakPolarHBondContact CB-O 3.34Å; H181-S280 PolarHBondContact ND1-O 2.86Å; S201-S280 PolarHBondContact OG-N 3.12Å; S280-F282 PolarHBondContact O-N 3.07Å; S280-F282 PolarHBondContact OG-O 3.11Å |
| 281 | P | 65.1 | Low | 86.3 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | -32.8 | -179.1 | -3.9 | -4.1 | 0 | 0 | 0 | 115 | H181 S199 G279 Q285 T287 G322 | H181-P281 PolarHBondContact CE1-O 2.81Å; S199-P281 PolarHBondContact OG-O 3.34Å; G279-P281 WeakPolarHBondContact O-CD 3.33Å; P281-Q285 WeakPolarHBondContact CD-O 3.49Å; P281-T287 WeakPolarHBondContact CG-OG1 3.21Å; P281-G322 VanDerWaalsContact CD-O 3.27Å; P281-G322 WeakPolarHBondContact CD-O 3.29Å |
| 282 | F | 66.1 | Low | 86.4 | Confident | 142 Ų | 142 | 46.2 Ų | 46.2 | 62% | 0.623 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.2 | -175.8 | -59.1 | -67.6 | 0 | 0 | 0 | 108.3 | S280 L284 Q285 | S280-F282 PolarHBondContact O-N 3.07Å; S280-F282 PolarHBondContact OG-O 3.11Å; F282-L284 PolarHBondContact O-N 3.23Å; F282-Q285 PolarHBondContact O-N 2.9Å |
| 283 | S | 60.9 | Low | 86.5 | Confident | 63 Ų | 63 | 44.3 Ų | 44.3 | 44% | 0.441 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40.8 | 117.4 | 169.3 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | E227 Q285 | E227-S283 VanDerWaalsContact OE1-CA 3.28Å; E227-S283 WeakPolarHBondContact OE1-CA 3.3Å; E227-S283 WeakPolarHBondContact OE1-CB 3.15Å; E227-S283 WeakPolarHBondContact OE2-CA 3.44Å; E227-S283 WeakPolarHBondContact OE2-CB 3.36Å; E227-S283 PolarHBondContact OE2-OG 3.08Å; S283-Q285 PolarHBondContact O-N 2.72Å |
| 284 | L | 59.3 | Low | 86.1 | Confident | 123 Ų | 123 | 44.4 Ų | 44.4 | 64% | 0.644 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 1.7 | 176.5 | -46.1 | 169.7 | 0 | 0 | 0 | 118.2 | F282 | F282-L284 PolarHBondContact O-N 3.23Š|
| 285 | Q | 68.4 | Low | 85.4 | Confident | 130 Ų | 130 | 41.6 Ų | 41.6 | 61% | 0.607 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 107.9 | 177.4 | -66.2 | -167 | -4.1 | 0 | 0 | 112.3 | P281 F282 S283 | P281-Q285 WeakPolarHBondContact CD-O 3.49Å; F282-Q285 PolarHBondContact O-N 2.9Å; S283-Q285 PolarHBondContact O-N 2.72Å |
| 286 | N | 77.1 | Confident | 84.3 | Confident | 51 Ų | 51 | 43 Ų | 43 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.1 | 170.2 | -70.4 | -2.8 | 0 | 0 | 0 | 110 | A176 I278 G279 V288 | A176-N286 VanDerWaalsContact CB-ND2 3.31Å; A176-N286 WeakPolarHBondContact CB-ND2 3.37Å; I278-N286 HydrophobicContact CD1-CB 4.42Å; I278-N286 HydrophobicContact CG1-CB 4.49Å; G279-N286 CarbonylContact O-C 3.35Å; G279-N286 WeakPolarHBondContact O-CA 3.47Å; N286-V288 HydrophobicContact CB-CG2 4.43Å |
| 287 | T | 84.8 | Confident | 82.9 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.5 | 163.5 | -71.4 | 0 | 0 | 0 | 0 | 108.3 | I278 G279 P281 T289 | I278-T287 WeakPolarHBondContact CA-O 3.22Å; G279-T287 PolarHBondContact N-O 3.41Å; G279-T287 PolarHBondContact O-N 3.13Å; P281-T287 WeakPolarHBondContact CG-OG1 3.21Å; T287-T289 HydrophobicContact CG2-CG2 4.43Å |
| 288 | V | 93.1 | Very high | 81.5 | Confident | 55 Ų | 55 | 53.3 Ų | 53.3 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.4 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 108 | V172 V276 I278 N286 | V172-V288 HydrophobicContact CG1-CG2 3.89Å; V172-V288 HydrophobicContact CG2-CB 4.35Å; V172-V288 HydrophobicContact CG2-CG1 3.49Å; V172-V288 VanDerWaalsContact CG2-CG1 3.49Å; V172-V288 HydrophobicContact CG2-CG2 3.97Å; V276-V288 HydrophobicContact CG1-CG1 3.59Å; I278-V288 HydrophobicContact CD1-CG2 3.88Å; I278-V288 HydrophobicContact CG1-CG2 3.95Å; N286-V288 HydrophobicContact CB-CG2 4.43Å |
| 289 | T | 94 | Very high | 80 | Confident | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.5 | 167.4 | 63.1 | 0 | 0 | 0 | 0 | 108.4 | A277 T287 I318 | A277-T289 PolarHBondContact N-O 3.37Å; A277-T289 PolarHBondContact O-N 3.48Å; T287-T289 HydrophobicContact CG2-CG2 4.43Å; T289-I318 WeakPolarHBondContact CB-O 3.21Å; T289-I318 HydrophobicContact CG2-CB 4.02Å; T289-I318 WeakPolarHBondContact CG2-O 3.42Å; T289-I318 PolarHBondContact OG1-O 2.86Å |
| 290 | T | 96.5 | Very high | 78.4 | Confident | 70 Ų | 70 | 54 Ų | 54 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 152.1 | 179 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | I168 V275 | I168-T290 WeakPolarHBondContact CD1-OG1 3.35Å; V275-T290 WeakPolarHBondContact O-CA 3.39Å; V275-T290 PolarHBondContact O-OG1 3.43Å |
| 291 | G | 96.2 | Very high | 77 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -159.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F274 V275 D316 | F274-G291 WeakPolarHBondContact CA-O 3.28Å; V275-G291 PolarHBondContact N-O 2.93Å; V275-G291 PolarHBondContact O-N 2.86Å; G291-D316 WeakPolarHBondContact CA-OD1 3.34Å |
| 292 | I | 96.9 | Very high | 76.7 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 160.5 | 173.4 | 59 | 169.5 | 0 | 0 | 0 | 110.8 | E273 F274 S294 T315 D316 | E273-I292 CarbonylContact O-C 3.52Å; E273-I292 WeakPolarHBondContact O-CA 2.93Å; F274-I292 HydrophobicContact CD1-CG2 3.95Å; F274-I292 HydrophobicContact CE1-CG2 4.09Å; F274-I292 HydrophobicContact CG-CG2 4.45Å; I292-S294 PolarHBondContact O-N 3.47Å; I292-T315 VanDerWaalsContact O-CA 3.29Å; I292-T315 WeakPolarHBondContact O-CA 3.27Å; I292-T315 WeakPolarHBondContact O-CB 3.24Å; I292-T315 PolarHBondContact O-OG1 2.66Å; I292-D316 PolarHBondContact N-OD1 3.24Å; I292-D316 PolarHBondContact O-N 2.99Å |
| 293 | V | 95.6 | Very high | 76.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 117.3 | 165.3 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | L269 P271 G272 E273 V275 T296 I313 | L269-V293 HydrophobicContact CD2-CG2 4.29Å; P271-V293 CarbonylContact C-O 3.52Å; P271-V293 WeakPolarHBondContact CA-O 3.49Å; G272-V293 PolarHBondContact N-O 3.18Å; E273-V293 HydrophobicContact CB-CG2 4.46Å; E273-V293 PolarHBondContact O-N 3.5Å; V275-V293 HydrophobicContact CG1-CG2 3.62Å; V293-T296 HydrophobicContact CG1-CG2 3.7Å; V293-I313 HydrophobicContact CG1-CG2 4.23Å; V293-I313 HydrophobicContact CG2-CG2 4.4Å |
| 294 | S | 88.6 | Confident | 75.9 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -40.1 | 175.6 | -46.4 | 0 | 0 | 0 | 0 | 111.8 | I292 Q314 | I292-S294 PolarHBondContact O-N 3.47Å; S294-Q314 VanDerWaalsContact CB-NE2 3.32Å; S294-Q314 PolarHBondContact N-O 3.41Å |
| 295 | T | 84.6 | Confident | 75.8 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 23% | 0.233 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 151.6 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | R298 Q314 | T295-R298 HydrophobicContact CG2-CB 3.98Å; T295-Q314 HydrophobicContact CG2-CB 3.45Å; T295-Q314 VanDerWaalsContact CG2-CB 3.45Å; T295-Q314 HydrophobicContact CG2-CG 4.32Å; T295-Q314 PolarHBondContact N-O 2.84Å; T295-Q314 PolarHBondContact O-N 2.91Å |
| 296 | T | 75.1 | Confident | 74.6 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -12.1 | -176.5 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | L269 V293 | L269-T296 HydrophobicContact CB-CG2 3.42Å; L269-T296 VanDerWaalsContact CB-CG2 3.42Å; L269-T296 HydrophobicContact CD1-CG2 4.34Å; V293-T296 HydrophobicContact CG1-CG2 3.7Å |
| 297 | Q | 68.6 | Low | 73.2 | Confident | 139 Ų | 139 | 65.2 Ų | 65.2 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 63.8 | -170.8 | -64.4 | 176.7 | 11.8 | 0 | 0 | 110.7 | ||
| 298 | R | 67.5 | Low | 71.7 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.1 | 168.9 | -168.7 | 171.6 | -73 | -93.3 | 15.2 | 109.9 | T295 E302 L303 D311 Y312 Q314 F349 | T295-R298 HydrophobicContact CG2-CB 3.98Å; R298-E302 HydrophobicContact CG-CB 4.33Å; R298-E302 IonicContact CZ-OE2 3.72Å; R298-E302 IonicContact NH1-OE2 3.73Å; R298-E302 PolarHBondContact NH1-OE2 2.92Å; R298-L303 HydrophobicContact CG-CD2 4.16Å; R298-L303 HydrophobicContact CG-CG 4.23Å; R298-D311 WeakPolarHBondContact O-CA 3.18Å; R298-Y312 PolarHBondContact N-O 2.76Å; R298-Y312 PolarHBondContact O-N 3.32Å; R298-Q314 VanDerWaalsContact NH2-OE1 3.13Å; R298-F349 HydrophobicContact CB-CE1 4.42Å |
| 299 | G | 61.6 | Low | 70.3 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 134.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K301 E302 D311 | G299-K301 PolarHBondContact O-N 3.08Å; G299-E302 WeakPolarHBondContact O-CB 3.46Å; G299-E302 PolarHBondContact O-N 3.42Å; G299-D311 VanDerWaalsContact CA-OD1 3.27Å; G299-D311 WeakPolarHBondContact CA-OD1 3.22Å |
| 300 | G | 59.6 | Low | 69.2 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -57 | -25.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E302 L303 L305 M310 | G300-E302 VanDerWaalsContact C-N 3.31Å; G300-E302 PolarHBondContact O-N 3.39Å; G300-L303 WeakPolarHBondContact O-CA 3.29Å; G300-L303 WeakPolarHBondContact O-CB 3.37Å; G300-L303 PolarHBondContact O-N 3.26Å; G300-L305 VanDerWaalsContact O-CB 3.27Å; G300-L305 WeakPolarHBondContact O-CB 3.44Å; G300-L305 PolarHBondContact O-N 3.04Å; G300-M310 PolarHBondContact N-O 3.46Å |
| 301 | K | 57.4 | Low | 68.5 | Low | 128 Ų | 128 | 66.3 Ų | 66.3 | 56% | 0.557 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -62 | -35.2 | 172.8 | -68.9 | 176.6 | -174.4 | 163.2 | 0 | 112.8 | G299 L303 G304 D309 | G299-K301 PolarHBondContact O-N 3.08Å; K301-L303 PolarHBondContact O-N 2.92Å; K301-G304 PolarHBondContact O-N 3.28Å; K301-D309 VanDerWaalsContact CE-OD1 3.23Å; K301-D309 WeakPolarHBondContact CE-OD1 3.29Å; K301-D309 IonicContact NZ-OD1 2.94Å; K301-D309 PolarHBondContact NZ-OD1 2.95Å |
| 302 | E | 58.5 | Low | 68.1 | Low | 133 Ų | 133 | 66.7 Ų | 66.7 | 62% | 0.621 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -70.1 | -19.9 | 174.6 | -60.1 | -176.3 | -172 | 0 | 0 | 112.6 | R298 G299 G300 G304 | R298-E302 HydrophobicContact CG-CB 4.33Å; R298-E302 IonicContact CZ-OE2 3.72Å; R298-E302 IonicContact NH1-OE2 3.73Å; R298-E302 PolarHBondContact NH1-OE2 2.92Å; G299-E302 WeakPolarHBondContact O-CB 3.46Å; G299-E302 PolarHBondContact O-N 3.42Å; G300-E302 VanDerWaalsContact C-N 3.31Å; G300-E302 PolarHBondContact O-N 3.39Å; E302-G304 VanDerWaalsContact C-N 3.31Å |
| 303 | L | 57.8 | Low | 67.8 | Low | 43 Ų | 43 | 63.9 Ų | 63.9 | 23% | 0.225 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -90.5 | 6.9 | 178.1 | -59 | 178.4 | 0 | 0 | 0 | 113 | R298 G300 K301 L305 Y312 F349 | R298-L303 HydrophobicContact CG-CD2 4.16Å; R298-L303 HydrophobicContact CG-CG 4.23Å; G300-L303 WeakPolarHBondContact O-CA 3.29Å; G300-L303 WeakPolarHBondContact O-CB 3.37Å; G300-L303 PolarHBondContact O-N 3.26Å; K301-L303 PolarHBondContact O-N 2.92Å; L303-L305 HydrophobicContact CB-CD1 4.39Å; L303-L305 HydrophobicContact CB-CG 4.29Å; L303-L305 PolarHBondContact O-N 3.14Å; L303-Y312 HydrophobicContact CD1-CD2 3.96Å; L303-F349 HydrophobicContact CD1-CD1 3.8Å; L303-F349 HydrophobicContact CD1-CD2 4.06Å; L303-F349 HydrophobicContact CD1-CE1 3.65Å; L303-F349 HydrophobicContact CD1-CE2 3.91Å; L303-F349 HydrophobicContact CD1-CG 4.02Å; L303-F349 HydrophobicContact CD1-CZ 3.72Å; L303-F349 HydrophobicContact CD2-CE1 3.81Å; L303-F349 HydrophobicContact CD2-CE2 3.65Å; L303-F349 HydrophobicContact CD2-CZ 3.2Å; L303-F349 HydrophobicContact CG-CE1 4.35Å; L303-F349 HydrophobicContact CG-CE2 4.41Å; L303-F349 HydrophobicContact CG-CZ 4.1Å |
| 304 | G | 52.7 | Low | 67.6 | Low | 55 Ų | 55 | 64.8 Ų | 64.8 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 5.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K301 E302 R306 | K301-G304 PolarHBondContact O-N 3.28Å; E302-G304 VanDerWaalsContact C-N 3.31Å; G304-R306 VanDerWaalsContact C-N 3.3Å; G304-R306 PolarHBondContact O-N 2.94Å |
| 305 | L | 56.3 | Low | 67.8 | Low | 64 Ų | 64 | 62.5 Ų | 62.5 | 34% | 0.335 | 32% | 0.315 | S | S | . | . | trans | -79 | 82.3 | 173 | -55.8 | 171.6 | 0 | 0 | 0 | 108.4 | G300 L303 N307 S308 Y312 | G300-L305 VanDerWaalsContact O-CB 3.27Å; G300-L305 WeakPolarHBondContact O-CB 3.44Å; G300-L305 PolarHBondContact O-N 3.04Å; L303-L305 HydrophobicContact CB-CD1 4.39Å; L303-L305 HydrophobicContact CB-CG 4.29Å; L303-L305 PolarHBondContact O-N 3.14Å; L305-N307 PolarHBondContact O-N 2.85Å; L305-S308 PolarHBondContact O-N 2.85Å; L305-Y312 HydrophobicContact CD1-CE2 4.05Å | ||
| 306 | R | 43.7 | Very low | 68.2 | Low | 216 Ų | 216 | 63.9 Ų | 63.9 | 82% | 0.815 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -11.8 | -171.1 | -71.3 | -175 | 164.9 | -164.4 | -5.2 | 115.6 | G304 | G304-R306 VanDerWaalsContact C-N 3.3Å; G304-R306 PolarHBondContact O-N 2.94Å |
| 307 | N | 47.3 | Very low | 69.1 | Low | 122 Ų | 122 | 62.4 Ų | 62.4 | 65% | 0.652 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | 15.7 | 179.9 | -66.2 | -22.9 | 0 | 0 | 0 | 114.3 | L305 | L305-N307 PolarHBondContact O-N 2.85Š|
| 308 | S | 54.4 | Low | 70.1 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | trans | -100.2 | 106.9 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L305 M310 Y312 | L305-S308 PolarHBondContact O-N 2.85Å; S308-M310 PolarHBondContact O-N 2.85Å; S308-M310 PolarHBondContact OG-N 3.33Å; S308-Y312 PolarHBondContact OG-OH 2.91Å | ||
| 309 | D | 63.4 | Low | 70.9 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | trans | -83.5 | 12.6 | 164.9 | -58.6 | -46.8 | 0 | 0 | 0 | 112 | K244 K301 | K244-D309 IonicContact NZ-OD2 2.82Å; K301-D309 VanDerWaalsContact CE-OD1 3.23Å; K301-D309 WeakPolarHBondContact CE-OD1 3.29Å; K301-D309 IonicContact NZ-OD1 2.94Å; K301-D309 PolarHBondContact NZ-OD1 2.95Å | ||
| 310 | M | 71.3 | Confident | 71.9 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | trans | -92.6 | 144.1 | 176.9 | -67 | -148.2 | -53.6 | 0 | 0 | 112.3 | A245 G300 S308 Y312 | A245-M310 VanDerWaalsContact CA-CE 3.42Å; A245-M310 HydrophobicContact CB-CE 4.06Å; A245-M310 HydrophobicContact CB-SD 3.78Å; A245-M310 WeakPolarHBondContact O-CE 3.36Å; G300-M310 PolarHBondContact N-O 3.46Å; S308-M310 PolarHBondContact O-N 2.85Å; S308-M310 PolarHBondContact OG-N 3.33Å; M310-Y312 HydrophobicContact CB-CE2 4.27Å; M310-Y312 HydrophobicContact CE-CE1 4.07Å | ||
| 311 | D | 82 | Confident | 72.7 | Confident | 76 Ų | 76 | 69.2 Ų | 69.2 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 141.9 | 166.4 | -60.3 | -39.1 | 0 | 0 | 0 | 110.3 | R298 G299 P352 | R298-D311 WeakPolarHBondContact O-CA 3.18Å; G299-D311 VanDerWaalsContact CA-OD1 3.27Å; G299-D311 WeakPolarHBondContact CA-OD1 3.22Å; D311-P352 VanDerWaalsContact O-CD 3.27Å; D311-P352 WeakPolarHBondContact O-CD 3.34Å; D311-P352 VanDerWaalsContact O-CG 3.24Å; D311-P352 WeakPolarHBondContact O-CG 3.33Å |
| 312 | Y | 86.7 | Confident | 73.6 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 150.9 | 178.1 | -62.3 | -91.2 | 0 | 0 | 0 | 110.9 | R298 L303 L305 S308 M310 F349 I351 | R298-Y312 PolarHBondContact N-O 2.76Å; R298-Y312 PolarHBondContact O-N 3.32Å; L303-Y312 HydrophobicContact CD1-CD2 3.96Å; L305-Y312 HydrophobicContact CD1-CE2 4.05Å; S308-Y312 PolarHBondContact OG-OH 2.91Å; M310-Y312 HydrophobicContact CB-CE2 4.27Å; M310-Y312 HydrophobicContact CE-CE1 4.07Å; Y312-F349 HydrophobicContact CD1-CB 4.39Å; Y312-F349 HydrophobicContact CG-CB 4.43Å; Y312-I351 HydrophobicContact CD1-CG1 4.5Å; Y312-I351 HydrophobicContact CE1-CG1 4.22Å |
| 313 | I | 91.2 | Very high | 75.1 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.8 | 165.2 | -61.2 | 165.1 | 0 | 0 | 0 | 107 | L269 V293 L328 I336 F349 A350 P352 | L269-I313 HydrophobicContact CD1-CD1 3.58Å; L269-I313 HydrophobicContact CD1-CG1 4Å; L269-I313 HydrophobicContact CD1-CG2 4.36Å; V293-I313 HydrophobicContact CG1-CG2 4.23Å; V293-I313 HydrophobicContact CG2-CG2 4.4Å; I313-L328 HydrophobicContact CG2-CD2 4.13Å; I313-I336 HydrophobicContact CD1-CD1 3.98Å; I313-I336 WeakPolarHBondContact CD1-O 3.38Å; I313-F349 CarbonylContact O-C 3.53Å; I313-F349 VanDerWaalsContact O-CA 3.3Å; I313-F349 WeakPolarHBondContact O-CA 3.49Å; I313-A350 HydrophobicContact CB-CB 4.35Å; I313-A350 PolarHBondContact N-O 3.35Å; I313-A350 PolarHBondContact O-N 2.72Å; I313-P352 HydrophobicContact CD1-CB 4.25Å; I313-P352 HydrophobicContact CG1-CB 4.4Å; I313-P352 HydrophobicContact CG1-CG 4.25Å |
| 314 | Q | 90.5 | Very high | 76.6 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134 | 172 | -170.6 | -171.3 | -49.9 | 0 | 0 | 109.6 | S294 T295 R298 I347 S348 F349 | S294-Q314 VanDerWaalsContact CB-NE2 3.32Å; S294-Q314 PolarHBondContact N-O 3.41Å; T295-Q314 HydrophobicContact CG2-CB 3.45Å; T295-Q314 VanDerWaalsContact CG2-CB 3.45Å; T295-Q314 HydrophobicContact CG2-CG 4.32Å; T295-Q314 PolarHBondContact N-O 2.84Å; T295-Q314 PolarHBondContact O-N 2.91Å; R298-Q314 VanDerWaalsContact NH2-OE1 3.13Å; Q314-I347 HydrophobicContact CG-CG2 4.06Å; Q314-S348 WeakPolarHBondContact CA-O 3.06Å; Q314-F349 HydrophobicContact CB-CD1 4.25Å; Q314-F349 HydrophobicContact CB-CE1 3.83Å; Q314-F349 HydrophobicContact CG-CD1 4.44Å; Q314-F349 HydrophobicContact CG-CE1 3.75Å; Q314-F349 HydrophobicContact CG-CZ 4.19Å |
| 315 | T | 93.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.8 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 111 | V275 I292 A317 L328 S348 | V275-T315 WeakPolarHBondContact CG2-OG1 3.37Å; I292-T315 VanDerWaalsContact O-CA 3.29Å; I292-T315 WeakPolarHBondContact O-CA 3.27Å; I292-T315 WeakPolarHBondContact O-CB 3.24Å; I292-T315 PolarHBondContact O-OG1 2.66Å; T315-A317 VanDerWaalsContact C-N 3.33Å; T315-A317 HydrophobicContact CG2-CB 3.93Å; T315-A317 WeakPolarHBondContact OG1-CB 3.45Å; T315-A317 PolarHBondContact OG1-N 3.34Å; T315-L328 HydrophobicContact CG2-CD1 4.42Å; T315-L328 HydrophobicContact CG2-CD2 4.28Å; T315-S348 PolarHBondContact N-O 3.05Å; T315-S348 PolarHBondContact O-N 3.14Å |
| 316 | D | 93.1 | Very high | 80.3 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 35% | 0.353 | 24% | 0.236 | S | C | . | . | trans | -87.1 | -5.1 | 168.5 | 67.7 | -16.9 | 0 | 0 | 0 | 112.7 | G291 I292 I318 | G291-D316 WeakPolarHBondContact CA-OD1 3.34Å; I292-D316 PolarHBondContact N-OD1 3.24Å; I292-D316 PolarHBondContact O-N 2.99Å; D316-I318 PolarHBondContact O-N 3.01Å | ||
| 317 | A | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -56.7 | 129.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V275 A277 T315 I319 S348 | V275-A317 HydrophobicContact CG2-CB 4.48Å; A277-A317 HydrophobicContact CB-CB 4.22Å; T315-A317 VanDerWaalsContact C-N 3.33Å; T315-A317 HydrophobicContact CG2-CB 3.93Å; T315-A317 WeakPolarHBondContact OG1-CB 3.45Å; T315-A317 PolarHBondContact OG1-N 3.34Å; A317-I319 PolarHBondContact O-N 2.83Å; A317-S348 VanDerWaalsContact O-CB 3.25Å; A317-S348 WeakPolarHBondContact O-CB 3.38Å; A317-S348 PolarHBondContact O-OG 2.03Å |
| 318 | I | 89.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 33.7 Ų | 33.7 | 48% | 0.482 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -72.2 | 118.6 | -174.3 | -64.5 | 171 | 0 | 0 | 0 | 109.3 | T289 D316 N323 | T289-I318 WeakPolarHBondContact CB-O 3.21Å; T289-I318 HydrophobicContact CG2-CB 4.02Å; T289-I318 WeakPolarHBondContact CG2-O 3.42Å; T289-I318 PolarHBondContact OG1-O 2.86Å; D316-I318 PolarHBondContact O-N 3.01Å; I318-N323 PolarHBondContact O-ND2 3.21Å; I318-N323 VanDerWaalsContact O-ND2 3.14Å |
| 319 | I | 85.7 | Confident | 87.4 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -102.5 | 134 | 171.6 | -61.6 | -179 | 0 | 0 | 0 | 109.1 | A277 A317 N323 N339 K342 S348 F349 | A277-I319 HydrophobicContact CB-CG1 4.49Å; A317-I319 PolarHBondContact O-N 2.83Å; I319-N323 WeakPolarHBondContact CA-OD1 3.45Å; I319-N339 HydrophobicContact CD1-CB 3.81Å; I319-N339 HydrophobicContact CG1-CB 4.27Å; I319-N339 HydrophobicContact CG2-CB 4.12Å; I319-K342 WeakPolarHBondContact O-CB 3.37Å; I319-K342 WeakPolarHBondContact O-CD 3.42Å; I319-S348 PolarHBondContact N-OG 3.05Å; I319-F349 WeakPolarHBondContact CD1-O 3.23Å |
| 320 | N | 81.3 | Confident | 89.1 | Confident | 70 Ų | 70 | 29 Ų | 29 | 37% | 0.374 | 14% | 0.14 | S | C | . | . | trans | -138.2 | 177.3 | 177.4 | 66 | 20.8 | 0 | 0 | 0 | 110.1 | G322 N323 S324 | N320-G322 PolarHBondContact O-N 3.05Å; N320-G322 VanDerWaalsContact OD1-CA 3.28Å; N320-G322 WeakPolarHBondContact OD1-CA 3.38Å; N320-G322 PolarHBondContact OD1-N 3.42Å; N320-N323 PolarHBondContact N-OD1 3.07Å; N320-N323 PolarHBondContact O-N 3.02Å; N320-N323 PolarHBondContact O-OD1 3.2Å; N320-N323 VanDerWaalsContact O-OD1 3.05Å; N320-N323 PolarHBondContact OD1-N 2.97Å; N320-N323 VanDerWaalsContact OD1-N 3.16Å; N320-N323 PolarHBondContact OD1-OD1 2.92Å; N320-S324 PolarHBondContact O-N 2.86Å | ||
| 321 | Y | 76.8 | Confident | 90.4 | Very high | 209 Ų | 209 | 31.5 Ų | 31.5 | 82% | 0.82 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.2 | 176.8 | -67.1 | -72.2 | 0 | 0 | 0 | 113.5 | ||
| 322 | G | 77.6 | Confident | 91.1 | Very high | 8 Ų | 8 | 33 Ų | 33 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -31.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S201 P281 N320 | S201-G322 PolarHBondContact OG-O 3.03Å; P281-G322 VanDerWaalsContact CD-O 3.27Å; P281-G322 WeakPolarHBondContact CD-O 3.29Å; N320-G322 PolarHBondContact O-N 3.05Å; N320-G322 VanDerWaalsContact OD1-CA 3.28Å; N320-G322 WeakPolarHBondContact OD1-CA 3.38Å; N320-G322 PolarHBondContact OD1-N 3.42Å |
| 323 | N | 88.8 | Confident | 91.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -0.8 | 177.3 | 65.9 | 3.1 | 0 | 0 | 0 | 114.7 | I318 I319 N320 G326 N339 | I318-N323 PolarHBondContact O-ND2 3.21Å; I318-N323 VanDerWaalsContact O-ND2 3.14Å; I319-N323 WeakPolarHBondContact CA-OD1 3.45Å; N320-N323 PolarHBondContact N-OD1 3.07Å; N320-N323 PolarHBondContact O-N 3.02Å; N320-N323 PolarHBondContact O-OD1 3.2Å; N320-N323 VanDerWaalsContact O-OD1 3.05Å; N320-N323 PolarHBondContact OD1-N 2.97Å; N320-N323 VanDerWaalsContact OD1-N 3.16Å; N320-N323 PolarHBondContact OD1-OD1 2.92Å; N323-G326 WeakPolarHBondContact O-CA 3.27Å; N323-G326 PolarHBondContact O-N 3.33Å; N323-N339 VanDerWaalsContact O-CB 3.22Å; N323-N339 WeakPolarHBondContact O-CB 3.33Å; N323-N339 PolarHBondContact O-ND2 2.87Å |
| 324 | S | 88.7 | Confident | 92 | Very high | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 134.3 | 168.5 | -162.4 | 0 | 0 | 0 | 0 | 111.3 | S201 H216 N320 G326 N339 T340 | S201-S324 WeakPolarHBondContact CB-O 3.35Å; S201-S324 PolarHBondContact N-O 3.39Å; H216-S324 PolarHBondContact NE2-OG 3.11Å; N320-S324 PolarHBondContact O-N 2.86Å; S324-G326 PolarHBondContact O-N 3.22Å; S324-N339 WeakPolarHBondContact CA-O 3.36Å; S324-T340 PolarHBondContact OG-O 3.38Å |
| 325 | G | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | -15.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S201 G202 N214 N339 | S201-G325 CarbonylContact O-C 3.59Å; S201-G325 VanDerWaalsContact O-CA 3.25Å; S201-G325 WeakPolarHBondContact O-CA 3.46Å; G202-G325 WeakPolarHBondContact CA-O 3.47Å; N214-G325 WeakPolarHBondContact OD1-CA 3.46Å; N214-G325 PolarHBondContact OD1-N 3.44Å; G325-N339 PolarHBondContact N-O 3.48Å |
| 326 | G | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -75.1 | 170.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N323 S324 N339 | N323-G326 WeakPolarHBondContact O-CA 3.27Å; N323-G326 PolarHBondContact O-N 3.33Å; S324-G326 PolarHBondContact O-N 3.22Å; G326-N339 PolarHBondContact O-N 3.06Å; G326-N339 PolarHBondContact O-ND2 3.15Å |
| 327 | P | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 145.9 | -178.5 | 31.3 | -31.6 | 0 | 0 | 0 | 112.2 | V179 F203 L261 I278 V329 V335 N339 | V179-P327 HydrophobicContact CG2-CG 3.98Å; F203-P327 HydrophobicContact CB-CB 4.37Å; F203-P327 HydrophobicContact CB-CG 3.94Å; F203-P327 HydrophobicContact CD1-CB 3.62Å; F203-P327 HydrophobicContact CD1-CG 3.94Å; F203-P327 HydrophobicContact CD2-CB 4.48Å; F203-P327 HydrophobicContact CE1-CB 3.96Å; F203-P327 HydrophobicContact CG-CB 3.91Å; F203-P327 HydrophobicContact CG-CG 4.03Å; L261-P327 HydrophobicContact CD1-CB 4.08Å; L261-P327 HydrophobicContact CD1-CG 3.72Å; I278-P327 HydrophobicContact CG2-CG 3.64Å; I278-P327 PolarHBondContact N-O 2.94Å; I278-P327 WeakPolarHBondContact O-CD 3.47Å; P327-V329 HydrophobicContact CB-CG1 3.98Å; P327-V329 HydrophobicContact CG-CG1 4.38Å; P327-V335 HydrophobicContact CB-CG1 4.04Å; P327-V335 HydrophobicContact CB-CG2 3.89Å; P327-N339 PolarHBondContact O-ND2 3.46Å |
| 328 | L | 98 | Very high | 92.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.4 | 158.3 | -171.8 | 67.5 | 0 | 0 | 0 | 107.4 | V275 A277 I313 T315 I336 G337 N339 A350 | V275-L328 HydrophobicContact CB-CD1 3.87Å; V275-L328 HydrophobicContact CB-CG 4.16Å; V275-L328 HydrophobicContact CG2-CD1 3.89Å; V275-L328 HydrophobicContact CG2-CG 4.47Å; A277-L328 HydrophobicContact CB-CD1 3.79Å; I313-L328 HydrophobicContact CG2-CD2 4.13Å; T315-L328 HydrophobicContact CG2-CD1 4.42Å; T315-L328 HydrophobicContact CG2-CD2 4.28Å; L328-I336 HydrophobicContact CB-CD1 4.17Å; L328-I336 HydrophobicContact CD2-CD1 3.48Å; L328-I336 VanDerWaalsContact CD2-CD1 3.48Å; L328-I336 HydrophobicContact CG-CD1 3.61Å; L328-I336 WeakPolarHBondContact O-CG1 3.37Å; L328-I336 PolarHBondContact O-N 2.86Å; L328-G337 PolarHBondContact N-O 3.36Å; L328-G337 PolarHBondContact O-N 3.04Å; L328-G337 VanDerWaalsContact O-N 3.14Å; L328-N339 WeakPolarHBondContact CB-OD1 3.27Å; L328-A350 HydrophobicContact CB-CB 4.23Å; L328-A350 HydrophobicContact CD2-CB 3.64Å |
| 329 | V | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 152 | -174.9 | -54.6 | 0 | 0 | 0 | 0 | 113 | V171 I175 V275 V276 P327 E334 V335 | V171-V329 HydrophobicContact CG1-CG2 3.68Å; I175-V329 HydrophobicContact CD1-CB 4.42Å; I175-V329 HydrophobicContact CD1-CG1 4.15Å; I175-V329 HydrophobicContact CD1-CG2 3.43Å; I175-V329 VanDerWaalsContact CD1-CG2 3.43Å; I175-V329 HydrophobicContact CG2-CG2 4.49Å; V275-V329 CarbonylContact C-O 3.56Å; V275-V329 VanDerWaalsContact CA-O 3.22Å; V275-V329 WeakPolarHBondContact CA-O 3.41Å; V276-V329 HydrophobicContact CB-CG2 3.8Å; V276-V329 PolarHBondContact N-O 3.31Å; V276-V329 PolarHBondContact O-N 3.47Å; P327-V329 HydrophobicContact CB-CG1 3.98Å; P327-V329 HydrophobicContact CG-CG1 4.38Å; V329-E334 WeakPolarHBondContact CA-O 3.49Å; V329-E334 WeakPolarHBondContact CB-O 3.3Å; V329-V335 HydrophobicContact CG1-CG2 4.19Å |
| 330 | N | 98.1 | Very high | 93 | Very high | 19 Ų | 19 | 27.8 Ų | 27.8 | 10% | 0.102 | 14% | 0.136 | C | C | . | . | trans | -83.8 | -179.7 | 169.4 | 67.2 | 11.1 | 0 | 0 | 0 | 111.5 | D332 G333 E334 I336 | N330-D332 PolarHBondContact O-N 3.32Å; N330-D332 PolarHBondContact OD1-N 2.96Å; N330-D332 VanDerWaalsContact OD1-N 3.12Å; N330-G333 PolarHBondContact O-N 3.33Å; N330-G333 PolarHBondContact OD1-N 2.9Å; N330-E334 PolarHBondContact N-O 3.1Å; N330-E334 PolarHBondContact ND2-OE2 2.86Å; N330-E334 VanDerWaalsContact ND2-OE2 3.14Å; N330-E334 WeakPolarHBondContact OD1-CB 3.36Å; N330-E334 PolarHBondContact OD1-N 3.12Å; N330-E334 PolarHBondContact OD1-O 3.28Å; N330-I336 HydrophobicContact CB-CG1 4.49Å; N330-I336 HydrophobicContact CB-CG2 4.09Å | ||
| 331 | L | 97.9 | Very high | 92.4 | Very high | 72 Ų | 72 | 27.9 Ų | 27.9 | 38% | 0.377 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -17 | 179.8 | -64 | -173.5 | 0 | 0 | 0 | 114.4 | F167 I168 V171 F274 G333 | F167-L331 HydrophobicContact CD2-CD1 4.23Å; F167-L331 HydrophobicContact CD2-CD2 3.69Å; F167-L331 HydrophobicContact CE2-CD1 4.48Å; F167-L331 HydrophobicContact CE2-CD2 4.14Å; I168-L331 HydrophobicContact CD1-CD2 3.99Å; V171-L331 HydrophobicContact CG2-CD2 4.31Å; V171-L331 VanDerWaalsContact CG2-O 3.27Å; V171-L331 WeakPolarHBondContact CG2-O 3.37Å; F274-L331 HydrophobicContact CB-CD1 4.11Å; F274-L331 HydrophobicContact CB-CD2 3.81Å; F274-L331 HydrophobicContact CB-CG 4Å; F274-L331 HydrophobicContact CD2-CD1 4.44Å; L331-G333 PolarHBondContact O-N 2.91Å |
| 332 | D | 97.9 | Very high | 91.7 | Very high | 109 Ų | 109 | 23.6 Ų | 23.6 | 58% | 0.583 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.7 | 173.9 | -63.5 | -43.8 | 0 | 0 | 0 | 112 | K174 N330 E334 | K174-D332 PolarHBondContact NZ-O 3.31Å; N330-D332 PolarHBondContact O-N 3.32Å; N330-D332 PolarHBondContact OD1-N 2.96Å; N330-D332 VanDerWaalsContact OD1-N 3.12Å; D332-E334 VanDerWaalsContact C-N 3.34Å; D332-E334 HydrophobicContact CB-CG 4.12Å |
| 333 | G | 97.2 | Very high | 90.8 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 78.1 | 19.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N330 L331 | N330-G333 PolarHBondContact O-N 3.33Å; N330-G333 PolarHBondContact OD1-N 2.9Å; L331-G333 PolarHBondContact O-N 2.91Å |
| 334 | E | 98.4 | Very high | 89.4 | Confident | 73 Ų | 73 | 31.2 Ų | 31.2 | 34% | 0.341 | 17% | 0.167 | S | C | . | . | trans | -89.2 | 140.6 | 174.7 | -53 | 179.1 | 138.5 | 0 | 0 | 110.2 | V329 N330 D332 I336 | V329-E334 WeakPolarHBondContact CA-O 3.49Å; V329-E334 WeakPolarHBondContact CB-O 3.3Å; N330-E334 PolarHBondContact N-O 3.1Å; N330-E334 PolarHBondContact ND2-OE2 2.86Å; N330-E334 VanDerWaalsContact ND2-OE2 3.14Å; N330-E334 WeakPolarHBondContact OD1-CB 3.36Å; N330-E334 PolarHBondContact OD1-N 3.12Å; N330-E334 PolarHBondContact OD1-O 3.28Å; D332-E334 VanDerWaalsContact C-N 3.34Å; D332-E334 HydrophobicContact CB-CG 4.12Å; E334-I336 PolarHBondContact O-N 2.89Å | ||
| 335 | V | 98.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116.5 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 109 | F203 L261 L262 L263 G264 P327 V329 G337 S353 I356 | F203-V335 HydrophobicContact CD2-CG2 4.07Å; F203-V335 HydrophobicContact CE1-CG1 4.43Å; F203-V335 HydrophobicContact CE2-CB 4.4Å; F203-V335 HydrophobicContact CE2-CG1 3.98Å; F203-V335 HydrophobicContact CE2-CG2 3.93Å; F203-V335 HydrophobicContact CZ-CG1 3.79Å; L261-V335 HydrophobicContact CB-CG2 3.55Å; L261-V335 HydrophobicContact CD1-CG2 3.75Å; L261-V335 HydrophobicContact CG-CG2 4.29Å; L262-V335 PolarHBondContact O-N 3.08Å; L263-V335 HydrophobicContact CD2-CB 3.82Å; L263-V335 HydrophobicContact CD2-CG1 4Å; G264-V335 PolarHBondContact N-O 2.81Å; P327-V335 HydrophobicContact CB-CG1 4.04Å; P327-V335 HydrophobicContact CB-CG2 3.89Å; V329-V335 HydrophobicContact CG1-CG2 4.19Å; V335-G337 VanDerWaalsContact CG1-O 3.3Å; V335-G337 WeakPolarHBondContact CG1-O 3.27Å; V335-S353 WeakPolarHBondContact O-CB 3.07Å; V335-I356 HydrophobicContact CG1-CD1 4.44Å |
| 336 | I | 98 | Very high | 87.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -13.7 | 175.9 | 57.8 | 82.9 | 0 | 0 | 0 | 112.2 | L269 V275 I313 L328 N330 E334 S353 | L269-I336 HydrophobicContact CD1-CB 4.14Å; L269-I336 HydrophobicContact CD1-CD1 3.94Å; L269-I336 HydrophobicContact CD1-CG1 4.4Å; L269-I336 HydrophobicContact CD2-CB 4.06Å; L269-I336 HydrophobicContact CD2-CD1 4.24Å; L269-I336 HydrophobicContact CD2-CG1 4.07Å; L269-I336 HydrophobicContact CD2-CG2 4.04Å; L269-I336 HydrophobicContact CG-CB 4.41Å; V275-I336 HydrophobicContact CG1-CD1 3.98Å; V275-I336 HydrophobicContact CG1-CG1 4.38Å; I313-I336 HydrophobicContact CD1-CD1 3.98Å; I313-I336 WeakPolarHBondContact CD1-O 3.38Å; L328-I336 HydrophobicContact CB-CD1 4.17Å; L328-I336 HydrophobicContact CD2-CD1 3.48Å; L328-I336 VanDerWaalsContact CD2-CD1 3.48Å; L328-I336 HydrophobicContact CG-CD1 3.61Å; L328-I336 WeakPolarHBondContact O-CG1 3.37Å; L328-I336 PolarHBondContact O-N 2.86Å; N330-I336 HydrophobicContact CB-CG1 4.49Å; N330-I336 HydrophobicContact CB-CG2 4.09Å; E334-I336 PolarHBondContact O-N 2.89Å; I336-S353 VanDerWaalsContact O-CB 3.31Å; I336-S353 WeakPolarHBondContact O-CB 3.39Å; I336-S353 PolarHBondContact O-N 2.86Å; I336-S353 PolarHBondContact O-OG 3.23Å; I336-S353 VanDerWaalsContact O-OG 3.11Å |
| 337 | G | 96.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | -180 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L328 V335 I351 | L328-G337 PolarHBondContact N-O 3.36Å; L328-G337 PolarHBondContact O-N 3.04Å; L328-G337 VanDerWaalsContact O-N 3.14Å; V335-G337 VanDerWaalsContact CG1-O 3.3Å; V335-G337 WeakPolarHBondContact CG1-O 3.27Å; G337-I351 CarbonylContact C-O 3.57Å; G337-I351 WeakPolarHBondContact CA-O 3.33Å |
| 338 | I | 97.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.4 | 170.2 | -61.1 | 153 | 0 | 0 | 0 | 108.5 | F203 V212 N214 I247 T340 A350 I351 I356 | F203-I338 HydrophobicContact CE1-CG1 3.88Å; F203-I338 HydrophobicContact CZ-CG1 4.07Å; V212-I338 HydrophobicContact CG1-CD1 3.57Å; V212-I338 HydrophobicContact CG1-CG1 4.11Å; N214-I338 VanDerWaalsContact ND2-CG2 3.33Å; N214-I338 WeakPolarHBondContact ND2-CG2 3.36Å; I247-I338 HydrophobicContact CG1-CD1 4.15Å; I247-I338 HydrophobicContact CG2-CD1 4.01Å; I338-T340 PolarHBondContact O-N 3.27Å; I338-T340 PolarHBondContact O-OG1 3.01Å; I338-T340 VanDerWaalsContact O-OG1 3.11Å; I338-A350 CarbonylContact O-C 3.57Å; I338-A350 WeakPolarHBondContact O-CA 3.41Å; I338-A350 WeakPolarHBondContact O-CB 3.43Å; I338-I351 HydrophobicContact CB-CB 4.36Å; I338-I351 HydrophobicContact CB-CD1 4.46Å; I338-I351 PolarHBondContact N-O 3.22Å; I338-I351 PolarHBondContact O-N 2.73Å; I338-I356 HydrophobicContact CD1-CD1 3.58Å; I338-I356 HydrophobicContact CD1-CG1 3.64Å; I338-I356 HydrophobicContact CG1-CD1 3.47Å; I338-I356 VanDerWaalsContact CG1-CD1 3.47Å; I338-I356 HydrophobicContact CG1-CG1 4.12Å |
| 339 | N | 94.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 123 | 175.2 | -60.9 | -37.4 | 0 | 0 | 0 | 110.2 | N214 I278 I319 N323 S324 G325 G326 P327 L328 | N214-N339 PolarHBondContact OD1-O 2.95Å; I278-N339 PolarHBondContact O-ND2 2.8Å; I319-N339 HydrophobicContact CD1-CB 3.81Å; I319-N339 HydrophobicContact CG1-CB 4.27Å; I319-N339 HydrophobicContact CG2-CB 4.12Å; N323-N339 VanDerWaalsContact O-CB 3.22Å; N323-N339 WeakPolarHBondContact O-CB 3.33Å; N323-N339 PolarHBondContact O-ND2 2.87Å; S324-N339 WeakPolarHBondContact CA-O 3.36Å; G325-N339 PolarHBondContact N-O 3.48Å; G326-N339 PolarHBondContact O-N 3.06Å; G326-N339 PolarHBondContact O-ND2 3.15Å; P327-N339 PolarHBondContact O-ND2 3.46Å; L328-N339 WeakPolarHBondContact CB-OD1 3.27Å |
| 340 | T | 83.7 | Confident | 85.1 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | -62.3 | -173.6 | -39.6 | 0 | 0 | 0 | 0 | 113.5 | D246 S324 I338 F349 I351 | D246-T340 WeakPolarHBondContact OD2-CG2 3.38Å; S324-T340 PolarHBondContact OG-O 3.38Å; I338-T340 PolarHBondContact O-N 3.27Å; I338-T340 PolarHBondContact O-OG1 3.01Å; I338-T340 VanDerWaalsContact O-OG1 3.11Å; T340-F349 PolarHBondContact N-O 3.24Å; T340-F349 VanDerWaalsContact N-O 3.09Å; T340-I351 HydrophobicContact CG2-CD1 4.21Å; T340-I351 WeakPolarHBondContact OG1-CD1 3.36Å; T340-I351 WeakPolarHBondContact OG1-CG1 3.29Å |
| 341 | L | 67.3 | Low | 84.9 | Confident | 73 Ų | 73 | 38.7 Ų | 38.7 | 38% | 0.382 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | -166.7 | -66 | 173.5 | 0 | 0 | 0 | 111.4 | S348 F349 | L341-S348 WeakPolarHBondContact O-CA 3.36Å; L341-F349 PolarHBondContact N-O 3.3Å; L341-F349 PolarHBondContact O-N 3.42Å |
| 342 | K | 62 | Low | 84.7 | Confident | 118 Ų | 118 | 36 Ų | 36 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.5 | 162.4 | 174.5 | -180 | 172.9 | -178 | 0 | 108.4 | I319 | I319-K342 WeakPolarHBondContact O-CB 3.37Å; I319-K342 WeakPolarHBondContact O-CD 3.42Å |
| 343 | V | 59.8 | Low | 84.7 | Confident | 93 Ų | 93 | 30.8 Ų | 30.8 | 56% | 0.564 | 19% | 0.185 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -44.9 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | I347 F349 | V343-I347 PolarHBondContact N-O 3.17Å; V343-F349 HydrophobicContact CB-CE2 4.04Å; V343-F349 HydrophobicContact CG2-CD2 3.74Å; V343-F349 HydrophobicContact CG2-CE2 3.46Å; V343-F349 VanDerWaalsContact CG2-CE2 3.46Å |
| 344 | T | 58.2 | Low | 84.5 | Confident | 76 Ų | 76 | 32.4 Ų | 32.4 | 47% | 0.466 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 175.8 | 177.3 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | G346 I347 | T344-G346 PolarHBondContact O-N 2.91Å; T344-I347 HydrophobicContact CG2-CB 3.87Å; T344-I347 HydrophobicContact CG2-CD1 3.74Å; T344-I347 HydrophobicContact CG2-CG1 3.88Å; T344-I347 PolarHBondContact O-N 3.06Å |
| 345 | A | 66.1 | Low | 84.2 | Confident | 82 Ų | 82 | 33.1 Ų | 33.1 | 68% | 0.678 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 129.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I347 | A345-I347 VanDerWaalsContact C-N 3.28Å; A345-I347 PolarHBondContact O-N 3.32Å |
| 346 | G | 69.6 | Low | 84.1 | Confident | 40 Ų | 40 | 33.1 Ų | 33.1 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 5.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | T344 | T344-G346 PolarHBondContact O-N 2.91Š|
| 347 | I | 77.6 | Confident | 84 | Confident | 56 Ų | 56 | 38 Ų | 38 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 102.9 | 174.8 | -52.7 | -178.1 | 0 | 0 | 0 | 109.7 | Q314 V343 T344 A345 F349 | Q314-I347 HydrophobicContact CG-CG2 4.06Å; V343-I347 PolarHBondContact N-O 3.17Å; T344-I347 HydrophobicContact CG2-CB 3.87Å; T344-I347 HydrophobicContact CG2-CD1 3.74Å; T344-I347 HydrophobicContact CG2-CG1 3.88Å; T344-I347 PolarHBondContact O-N 3.06Å; A345-I347 VanDerWaalsContact C-N 3.28Å; A345-I347 PolarHBondContact O-N 3.32Å; I347-F349 HydrophobicContact CG2-CE1 4.36Å; I347-F349 HydrophobicContact CG2-CE2 3.6Å; I347-F349 HydrophobicContact CG2-CZ 3.4Å; I347-F349 VanDerWaalsContact CG2-CZ 3.4Å |
| 348 | S | 86.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 156.8 | 174.6 | -48.8 | 0 | 0 | 0 | 0 | 110.5 | Q314 T315 A317 I319 L341 | Q314-S348 WeakPolarHBondContact CA-O 3.06Å; T315-S348 PolarHBondContact N-O 3.05Å; T315-S348 PolarHBondContact O-N 3.14Å; A317-S348 VanDerWaalsContact O-CB 3.25Å; A317-S348 WeakPolarHBondContact O-CB 3.38Å; A317-S348 PolarHBondContact O-OG 2.03Å; I319-S348 PolarHBondContact N-OG 3.05Å; L341-S348 WeakPolarHBondContact O-CA 3.36Å |
| 349 | F | 88.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.7 | -177.8 | -64.3 | -73.1 | 0 | 0 | 0 | 112.4 | R298 L303 Y312 I313 Q314 I319 T340 L341 V343 I347 | R298-F349 HydrophobicContact CB-CE1 4.42Å; L303-F349 HydrophobicContact CD1-CD1 3.8Å; L303-F349 HydrophobicContact CD1-CD2 4.06Å; L303-F349 HydrophobicContact CD1-CE1 3.65Å; L303-F349 HydrophobicContact CD1-CE2 3.91Å; L303-F349 HydrophobicContact CD1-CG 4.02Å; L303-F349 HydrophobicContact CD1-CZ 3.72Å; L303-F349 HydrophobicContact CD2-CE1 3.81Å; L303-F349 HydrophobicContact CD2-CE2 3.65Å; L303-F349 HydrophobicContact CD2-CZ 3.2Å; L303-F349 HydrophobicContact CG-CE1 4.35Å; L303-F349 HydrophobicContact CG-CE2 4.41Å; L303-F349 HydrophobicContact CG-CZ 4.1Å; Y312-F349 HydrophobicContact CD1-CB 4.39Å; Y312-F349 HydrophobicContact CG-CB 4.43Å; I313-F349 CarbonylContact O-C 3.53Å; I313-F349 VanDerWaalsContact O-CA 3.3Å; I313-F349 WeakPolarHBondContact O-CA 3.49Å; Q314-F349 HydrophobicContact CB-CD1 4.25Å; Q314-F349 HydrophobicContact CB-CE1 3.83Å; Q314-F349 HydrophobicContact CG-CD1 4.44Å; Q314-F349 HydrophobicContact CG-CE1 3.75Å; Q314-F349 HydrophobicContact CG-CZ 4.19Å; I319-F349 WeakPolarHBondContact CD1-O 3.23Å; T340-F349 PolarHBondContact N-O 3.24Å; T340-F349 VanDerWaalsContact N-O 3.09Å; L341-F349 PolarHBondContact N-O 3.3Å; L341-F349 PolarHBondContact O-N 3.42Å; V343-F349 HydrophobicContact CB-CE2 4.04Å; V343-F349 HydrophobicContact CG2-CD2 3.74Å; V343-F349 HydrophobicContact CG2-CE2 3.46Å; V343-F349 VanDerWaalsContact CG2-CE2 3.46Å; I347-F349 HydrophobicContact CG2-CE1 4.36Å; I347-F349 HydrophobicContact CG2-CE2 3.6Å; I347-F349 HydrophobicContact CG2-CZ 3.4Å; I347-F349 VanDerWaalsContact CG2-CZ 3.4Å |
| 350 | A | 92.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | I313 L328 I338 | I313-A350 HydrophobicContact CB-CB 4.35Å; I313-A350 PolarHBondContact N-O 3.35Å; I313-A350 PolarHBondContact O-N 2.72Å; L328-A350 HydrophobicContact CB-CB 4.23Å; L328-A350 HydrophobicContact CD2-CB 3.64Å; I338-A350 CarbonylContact O-C 3.57Å; I338-A350 WeakPolarHBondContact O-CA 3.41Å; I338-A350 WeakPolarHBondContact O-CB 3.43Å |
| 351 | I | 93.2 | Very high | 84 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.1 | 173.5 | -64.5 | 153.7 | 0 | 0 | 0 | 108.7 | N214 A245 D246 I247 Y312 G337 I338 T340 K355 | N214-I351 VanDerWaalsContact ND2-CD1 3.26Å; N214-I351 WeakPolarHBondContact ND2-CD1 3.41Å; A245-I351 WeakPolarHBondContact O-CD1 3.3Å; D246-I351 HydrophobicContact CB-CD1 4.2Å; D246-I351 VanDerWaalsContact O-CD1 3.32Å; D246-I351 WeakPolarHBondContact O-CD1 3.34Å; I247-I351 HydrophobicContact CD1-CG2 3.83Å; I247-I351 HydrophobicContact CG1-CD1 4.08Å; I247-I351 HydrophobicContact CG1-CG2 4.07Å; Y312-I351 HydrophobicContact CD1-CG1 4.5Å; Y312-I351 HydrophobicContact CE1-CG1 4.22Å; G337-I351 CarbonylContact C-O 3.57Å; G337-I351 WeakPolarHBondContact CA-O 3.33Å; I338-I351 HydrophobicContact CB-CB 4.36Å; I338-I351 HydrophobicContact CB-CD1 4.46Å; I338-I351 PolarHBondContact N-O 3.22Å; I338-I351 PolarHBondContact O-N 2.73Å; T340-I351 HydrophobicContact CG2-CD1 4.21Å; T340-I351 WeakPolarHBondContact OG1-CD1 3.36Å; T340-I351 WeakPolarHBondContact OG1-CG1 3.29Å; I351-K355 HydrophobicContact CG2-CB 4.21Å |
| 352 | P | 95 | Very high | 85.1 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 139.9 | -176.4 | -21.3 | 30.8 | 0 | 0 | 0 | 114 | S266 D311 I313 D354 K355 I356 | S266-P352 WeakPolarHBondContact OG-CB 3.44Å; D311-P352 VanDerWaalsContact O-CD 3.27Å; D311-P352 WeakPolarHBondContact O-CD 3.34Å; D311-P352 VanDerWaalsContact O-CG 3.24Å; D311-P352 WeakPolarHBondContact O-CG 3.33Å; I313-P352 HydrophobicContact CD1-CB 4.25Å; I313-P352 HydrophobicContact CG1-CB 4.4Å; I313-P352 HydrophobicContact CG1-CG 4.25Å; P352-D354 PolarHBondContact O-N 3.21Å; P352-K355 HydrophobicContact CB-CG 4.46Å; P352-K355 WeakPolarHBondContact O-CB 2.99Å; P352-K355 PolarHBondContact O-N 2.93Å; P352-I356 PolarHBondContact O-N 2.73Å |
| 353 | S | 96.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57 | -31 | 178.6 | 52 | 0 | 0 | 0 | 0 | 114.5 | G264 S266 V335 I336 K355 I356 R357 | G264-S353 PolarHBondContact O-OG 3.35Å; G264-S353 VanDerWaalsContact O-OG 3.08Å; S266-S353 VanDerWaalsContact CB-OG 3.29Å; S266-S353 WeakPolarHBondContact CB-OG 3.2Å; S266-S353 PolarHBondContact N-OG 3.29Å; S266-S353 PolarHBondContact OG-N 3.25Å; S266-S353 PolarHBondContact OG-OG 2.98Å; V335-S353 WeakPolarHBondContact O-CB 3.07Å; I336-S353 VanDerWaalsContact O-CB 3.31Å; I336-S353 WeakPolarHBondContact O-CB 3.39Å; I336-S353 PolarHBondContact O-N 2.86Å; I336-S353 PolarHBondContact O-OG 3.23Å; I336-S353 VanDerWaalsContact O-OG 3.11Å; S353-K355 VanDerWaalsContact C-N 3.26Å; S353-K355 PolarHBondContact O-N 2.77Å; S353-I356 WeakPolarHBondContact O-CB 3.25Å; S353-I356 PolarHBondContact O-N 3.37Å; S353-I356 VanDerWaalsContact O-N 3.15Å; S353-R357 WeakPolarHBondContact O-CB 3.31Å; S353-R357 PolarHBondContact O-N 2.93Å |
| 354 | D | 94.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -28.3 | 176.2 | -65.4 | -43.6 | 0 | 0 | 0 | 112.1 | S266 A267 P352 R357 Q358 | S266-D354 PolarHBondContact N-OD2 3.12Å; S266-D354 VanDerWaalsContact N-OD2 3.13Å; S266-D354 WeakPolarHBondContact OG-CB 3.48Å; S266-D354 PolarHBondContact OG-N 3.35Å; S266-D354 PolarHBondContact OG-OD2 3.27Å; A267-D354 PolarHBondContact N-OD2 3.03Å; P352-D354 PolarHBondContact O-N 3.21Å; D354-R357 IonicContact OD1-NE 3.45Å; D354-Q358 PolarHBondContact O-N 2.92Å |
| 355 | K | 92.6 | Very high | 88.8 | Confident | 87 Ų | 87 | 43.1 Ų | 43.1 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 170.4 | -65.6 | -62.6 | -179.5 | -174 | 0 | 112 | I351 P352 S353 R357 Q358 F359 | I351-K355 HydrophobicContact CG2-CB 4.21Å; P352-K355 HydrophobicContact CB-CG 4.46Å; P352-K355 WeakPolarHBondContact O-CB 2.99Å; P352-K355 PolarHBondContact O-N 2.93Å; S353-K355 VanDerWaalsContact C-N 3.26Å; S353-K355 PolarHBondContact O-N 2.77Å; K355-R357 VanDerWaalsContact C-N 3.33Å; K355-Q358 PolarHBondContact O-N 2.74Å; K355-F359 WeakPolarHBondContact O-CB 3.35Å; K355-F359 PolarHBondContact O-N 3.07Å |
| 356 | I | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 172.2 | -47.9 | 172.7 | 0 | 0 | 0 | 109.9 | F203 V212 I247 L263 V335 I338 P352 S353 Q358 F359 L360 | F203-I356 HydrophobicContact CZ-CD1 4.36Å; V212-I356 HydrophobicContact CG1-CG2 4.05Å; V212-I356 HydrophobicContact CG2-CG2 4.3Å; I247-I356 HydrophobicContact CD1-CG1 4.43Å; L263-I356 HydrophobicContact CD1-CB 4.12Å; L263-I356 HydrophobicContact CD1-CG2 3.96Å; L263-I356 HydrophobicContact CD2-CD1 4.34Å; L263-I356 HydrophobicContact CD2-CG2 4.35Å; V335-I356 HydrophobicContact CG1-CD1 4.44Å; I338-I356 HydrophobicContact CD1-CD1 3.58Å; I338-I356 HydrophobicContact CD1-CG1 3.64Å; I338-I356 HydrophobicContact CG1-CD1 3.47Å; I338-I356 VanDerWaalsContact CG1-CD1 3.47Å; I338-I356 HydrophobicContact CG1-CG1 4.12Å; P352-I356 PolarHBondContact O-N 2.73Å; S353-I356 WeakPolarHBondContact O-CB 3.25Å; S353-I356 PolarHBondContact O-N 3.37Å; S353-I356 VanDerWaalsContact O-N 3.15Å; I356-Q358 VanDerWaalsContact C-N 3.33Å; I356-Q358 PolarHBondContact O-N 3.03Å; I356-F359 WeakPolarHBondContact O-CB 3.04Å; I356-F359 PolarHBondContact O-N 2.92Å; I356-L360 HydrophobicContact CG2-CD1 4.1Å; I356-L360 HydrophobicContact CG2-CG 4.27Å; I356-L360 WeakPolarHBondContact O-CG 3.12Å; I356-L360 PolarHBondContact O-N 3.5Å |
| 357 | R | 95.6 | Very high | 89.9 | Confident | 104 Ų | 104 | 44.7 Ų | 44.7 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 178.4 | -169.7 | -170.5 | -54.1 | -92.6 | -7.3 | 111.3 | L263 G264 S353 D354 K355 L360 A361 | L263-R357 HydrophobicContact CD1-CB 4.16Å; L263-R357 PolarHBondContact O-NH2 3.09Å; G264-R357 PolarHBondContact O-NH2 3.43Å; S353-R357 WeakPolarHBondContact O-CB 3.31Å; S353-R357 PolarHBondContact O-N 2.93Å; D354-R357 IonicContact OD1-NE 3.45Å; K355-R357 VanDerWaalsContact C-N 3.33Å; R357-L360 PolarHBondContact O-N 2.85Å; R357-A361 WeakPolarHBondContact O-CB 3.39Å; R357-A361 PolarHBondContact O-N 2.79Å |
| 358 | Q | 93.7 | Very high | 89.9 | Confident | 93 Ų | 93 | 45.6 Ų | 45.6 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -50.4 | 174.4 | -177.6 | -178.1 | -7 | 0 | 0 | 111.2 | D354 K355 I356 L360 A361 E362 | D354-Q358 PolarHBondContact O-N 2.92Å; K355-Q358 PolarHBondContact O-N 2.74Å; I356-Q358 VanDerWaalsContact C-N 3.33Å; I356-Q358 PolarHBondContact O-N 3.03Å; Q358-L360 PolarHBondContact O-N 3.12Å; Q358-A361 PolarHBondContact O-N 3.07Å; Q358-E362 HydrophobicContact CG-CG 4.48Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.48Å; Q358-E362 PolarHBondContact NE2-OE1 3.02Å; Q358-E362 WeakPolarHBondContact O-CG 3.14Å; Q358-E362 PolarHBondContact O-N 3.36Å |
| 359 | F | 93.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 179.3 | 167.6 | -101.1 | 0 | 0 | 0 | 112.6 | D240 D242 I247 L249 K355 I356 E362 S363 | D240-F359 HydrophobicContact CB-CE2 4.22Å; D240-F359 HydrophobicContact CB-CZ 3.82Å; D242-F359 HydrophobicContact CB-CD2 3.85Å; D242-F359 HydrophobicContact CB-CE2 3.83Å; I247-F359 HydrophobicContact CB-CD1 4.33Å; I247-F359 HydrophobicContact CB-CE1 4.41Å; I247-F359 HydrophobicContact CB-CG 4.42Å; I247-F359 HydrophobicContact CD1-CB 4.24Å; I247-F359 HydrophobicContact CG2-CD1 3.55Å; I247-F359 HydrophobicContact CG2-CE1 3.62Å; I247-F359 HydrophobicContact CG2-CG 4.09Å; I247-F359 HydrophobicContact CG2-CZ 4.26Å; L249-F359 HydrophobicContact CB-CE1 3.83Å; L249-F359 HydrophobicContact CB-CZ 4.09Å; K355-F359 WeakPolarHBondContact O-CB 3.35Å; K355-F359 PolarHBondContact O-N 3.07Å; I356-F359 WeakPolarHBondContact O-CB 3.04Å; I356-F359 PolarHBondContact O-N 2.92Å; F359-E362 PolarHBondContact O-N 3.48Å; F359-S363 VanDerWaalsContact O-CB 3.27Å; F359-S363 WeakPolarHBondContact O-CB 3.49Å; F359-S363 PolarHBondContact O-N 2.81Å |
| 360 | L | 94.3 | Very high | 88 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177.9 | -70.5 | 177.3 | 0 | 0 | 0 | 112 | V212 L249 L263 I356 R357 Q358 S363 H364 | V212-L360 HydrophobicContact CG2-CD2 4.05Å; L249-L360 HydrophobicContact CD1-CD2 3.71Å; L249-L360 HydrophobicContact CD2-CD2 4.12Å; L249-L360 HydrophobicContact CG-CD2 4.45Å; L263-L360 HydrophobicContact CD1-CD1 3.94Å; I356-L360 HydrophobicContact CG2-CD1 4.1Å; I356-L360 HydrophobicContact CG2-CG 4.27Å; I356-L360 WeakPolarHBondContact O-CG 3.12Å; I356-L360 PolarHBondContact O-N 3.5Å; R357-L360 PolarHBondContact O-N 2.85Å; Q358-L360 PolarHBondContact O-N 3.12Å; L360-S363 PolarHBondContact O-N 3.31Å; L360-H364 WeakPolarHBondContact O-CB 3.3Å; L360-H364 PolarHBondContact O-N 2.89Å |
| 361 | A | 92.3 | Very high | 86.1 | Confident | 57 Ų | 57 | 62 Ų | 62 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R357 Q358 S363 H364 D365 | R357-A361 WeakPolarHBondContact O-CB 3.39Å; R357-A361 PolarHBondContact O-N 2.79Å; Q358-A361 PolarHBondContact O-N 3.07Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.36Å; A361-H364 PolarHBondContact O-N 2.72Å; A361-D365 WeakPolarHBondContact O-CB 3.19Å; A361-D365 PolarHBondContact O-N 3.19Å |
| 362 | E | 89.4 | Confident | 84.2 | Confident | 77 Ų | 77 | 68 Ų | 68 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.7 | -67.7 | 177.8 | -167.8 | 0 | 0 | 112.3 | Q358 F359 D365 R366 | Q358-E362 HydrophobicContact CG-CG 4.48Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.48Å; Q358-E362 PolarHBondContact NE2-OE1 3.02Å; Q358-E362 WeakPolarHBondContact O-CG 3.14Å; Q358-E362 PolarHBondContact O-N 3.36Å; F359-E362 PolarHBondContact O-N 3.48Å; E362-D365 PolarHBondContact O-N 2.84Å; E362-R366 WeakPolarHBondContact O-CG 3.13Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE2-NH1 3.25Å; E362-R366 PolarHBondContact OE2-NH1 3.29Å |
| 363 | S | 87.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 176 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | D240 F359 L360 A361 D365 R366 Q367 | D240-S363 VanDerWaalsContact CB-OG 3.24Å; D240-S363 WeakPolarHBondContact CB-OG 3.44Å; D240-S363 VanDerWaalsContact OD2-CA 3.29Å; D240-S363 WeakPolarHBondContact OD2-CA 3.44Å; D240-S363 WeakPolarHBondContact OD2-CB 3.41Å; D240-S363 PolarHBondContact OD2-OG 2.96Å; F359-S363 VanDerWaalsContact O-CB 3.27Å; F359-S363 WeakPolarHBondContact O-CB 3.49Å; F359-S363 PolarHBondContact O-N 2.81Å; L360-S363 PolarHBondContact O-N 3.31Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.36Å; S363-D365 VanDerWaalsContact C-N 3.31Å; S363-D365 PolarHBondContact O-N 3.42Å; S363-R366 PolarHBondContact O-N 3.29Å; S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 2.75Å; S363-Q367 PolarHBondContact OG-NE2 2.94Å |
| 364 | H | 87.3 | Confident | 80.3 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58 | -45.5 | 175.2 | 177.2 | -88 | 0 | 0 | 0 | 111.1 | L360 A361 R366 Q367 A368 | L360-H364 WeakPolarHBondContact O-CB 3.3Å; L360-H364 PolarHBondContact O-N 2.89Å; A361-H364 PolarHBondContact O-N 2.72Å; H364-R366 PolarHBondContact O-N 2.93Å; H364-Q367 PolarHBondContact O-N 2.56Å; H364-A368 WeakPolarHBondContact O-CB 3.31Å; H364-A368 PolarHBondContact O-N 3.39Å |
| 365 | D | 83.7 | Confident | 78.8 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.4 | -99.5 | 31.1 | 0 | 0 | 0 | 113.1 | A361 E362 S363 K369 | A361-D365 WeakPolarHBondContact O-CB 3.19Å; A361-D365 PolarHBondContact O-N 3.19Å; E362-D365 PolarHBondContact O-N 2.84Å; S363-D365 VanDerWaalsContact C-N 3.31Å; S363-D365 PolarHBondContact O-N 3.42Å; D365-K369 VanDerWaalsContact O-CB 3.28Å; D365-K369 WeakPolarHBondContact O-CB 3.43Å; D365-K369 WeakPolarHBondContact O-CD 3.25Å; D365-K369 VanDerWaalsContact O-CG 3.26Å; D365-K369 WeakPolarHBondContact O-CG 3.38Å; D365-K369 PolarHBondContact O-N 2.75Å; D365-K369 IonicContact OD2-NZ 2.6Å; D365-K369 PolarHBondContact OD2-NZ 3.06Å |
| 366 | R | 80.8 | Confident | 77.9 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 22% | 0.223 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.7 | -77.1 | -174.5 | -72.8 | -92.9 | 5.4 | 111.2 | D240 E362 S363 H364 G370 K371 | D240-R366 IonicContact OD1-NE 3.25Å; D240-R366 IonicContact OD1-NH2 3.91Å; D240-R366 IonicContact OD2-CZ 3.57Å; D240-R366 VanDerWaalsContact OD2-CZ 3.25Å; D240-R366 IonicContact OD2-NE 3.54Å; D240-R366 PolarHBondContact OD2-NE 2.82Å; D240-R366 IonicContact OD2-NH2 3.88Å; D240-R366 PolarHBondContact OD2-NH2 2.83Å; E362-R366 WeakPolarHBondContact O-CG 3.13Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE2-NH1 3.25Å; E362-R366 PolarHBondContact OE2-NH1 3.29Å; S363-R366 PolarHBondContact O-N 3.29Å; H364-R366 PolarHBondContact O-N 2.93Å; R366-G370 PolarHBondContact O-N 3.28Å; R366-K371 PolarHBondContact O-N 3.43Å; R366-K371 VanDerWaalsContact O-N 3.16Å |
| 367 | Q | 78.2 | Confident | 77.4 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 45% | 0.449 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 178.9 | -69.1 | 177.7 | 43.8 | 0 | 0 | 111.7 | S363 H364 K369 G370 | S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 2.75Å; S363-Q367 PolarHBondContact OG-NE2 2.94Å; H364-Q367 PolarHBondContact O-N 2.56Å; Q367-K369 PolarHBondContact O-N 3.45Å; Q367-G370 PolarHBondContact O-N 3.35Å |
| 368 | A | 77.8 | Confident | 76.9 | Confident | 75 Ų | 75 | 79.5 Ų | 79.5 | 62% | 0.62 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H364 G370 | H364-A368 WeakPolarHBondContact O-CB 3.31Å; H364-A368 PolarHBondContact O-N 3.39Å; A368-G370 PolarHBondContact O-N 2.92Å |
| 369 | K | 74.5 | Confident | 76.6 | Confident | 135 Ų | 135 | 75.3 Ų | 75.3 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.9 | 179.6 | -69.2 | 166.1 | -178.3 | 158.7 | 0 | 113.2 | D365 Q367 K371 | D365-K369 VanDerWaalsContact O-CB 3.28Å; D365-K369 WeakPolarHBondContact O-CB 3.43Å; D365-K369 WeakPolarHBondContact O-CD 3.25Å; D365-K369 VanDerWaalsContact O-CG 3.26Å; D365-K369 WeakPolarHBondContact O-CG 3.38Å; D365-K369 PolarHBondContact O-N 2.75Å; D365-K369 IonicContact OD2-NZ 2.6Å; D365-K369 PolarHBondContact OD2-NZ 3.06Å; Q367-K369 PolarHBondContact O-N 3.45Å; K369-K371 PolarHBondContact O-N 3.33Å |
| 370 | G | 60.4 | Low | 76.1 | Confident | 61 Ų | 61 | 75 Ų | 75 | 63% | 0.629 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 17 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R366 Q367 A368 T372 | R366-G370 PolarHBondContact O-N 3.28Å; Q367-G370 PolarHBondContact O-N 3.35Å; A368-G370 PolarHBondContact O-N 2.92Å; G370-T372 VanDerWaalsContact C-N 3.34Å; G370-T372 PolarHBondContact O-N 3.39Å |
| 371 | K | 52 | Low | 75.2 | Confident | 152 Ų | 152 | 74.1 Ų | 74.1 | 66% | 0.661 | 40% | 0.396 | S | S | * | . | trans | -76.7 | 91.4 | 177.5 | -88.7 | -172.9 | 174.7 | -177.4 | 0 | 107.2 | R366 K369 L373 | R366-K371 PolarHBondContact O-N 3.43Å; R366-K371 VanDerWaalsContact O-N 3.16Å; K369-K371 PolarHBondContact O-N 3.33Å; K371-L373 PolarHBondContact O-N 2.85Å; K371-L373 VanDerWaalsContact O-N 3.12Å | ||
| 372 | T | 52.8 | Low | 74 | Confident | 128 Ų | 128 | 78.3 Ų | 78.3 | 79% | 0.785 | 40% | 0.399 | S | S | * | . | trans | -48.2 | 119.6 | 159.1 | 44.6 | 0 | 0 | 0 | 0 | 107.4 | G370 | G370-T372 VanDerWaalsContact C-N 3.34Å; G370-T372 PolarHBondContact O-N 3.39Å | ||
| 373 | L | 55 | Low | 73.6 | Confident | 56 Ų | 56 | 76.5 Ų | 76.5 | 29% | 0.293 | 39% | 0.391 | S | S | . | . | trans | -43.4 | 134.4 | 169.7 | -78.5 | 156.3 | 0 | 0 | 0 | 107.9 | K371 K375 P476 | K371-L373 PolarHBondContact O-N 2.85Å; K371-L373 VanDerWaalsContact O-N 3.12Å; L373-K375 PolarHBondContact O-N 3.24Å; L373-K375 VanDerWaalsContact O-N 3.16Å; L373-P476 HydrophobicContact CB-CB 3.86Å; L373-P476 HydrophobicContact CB-CG 3.32Å; L373-P476 HydrophobicContact CD1-CB 3.59Å; L373-P476 HydrophobicContact CD1-CG 3.99Å; L373-P476 HydrophobicContact CG-CB 4.38Å; L373-P476 HydrophobicContact CG-CG 4.29Å | ||
| 374 | P | 55.8 | Low | 72.9 | Confident | 110 Ų | 110 | 80.1 Ų | 80.1 | 71% | 0.714 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 128 | 179.5 | 23.6 | -31.9 | 0 | 0 | 0 | 107.8 | K376 | P374-K376 PolarHBondContact O-N 3.38Å; P374-K376 VanDerWaalsContact O-N 3.11Å |
| 375 | K | 62.2 | Low | 72.6 | Confident | 111 Ų | 111 | 76.3 Ų | 76.3 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 123 | 178.5 | -66.5 | 177.4 | 175.5 | -174.5 | 0 | 108.6 | L373 E473 I474 D475 | L373-K375 PolarHBondContact O-N 3.24Å; L373-K375 VanDerWaalsContact O-N 3.16Å; K375-E473 HydrophobicContact CB-CB 3.99Å; K375-E473 HydrophobicContact CB-CG 4.27Å; K375-E473 HydrophobicContact CD-CB 4Å; K375-E473 HydrophobicContact CD-CG 4.48Å; K375-E473 WeakPolarHBondContact CD-OE2 3.41Å; K375-E473 IonicContact NZ-OE2 3.46Å; K375-E473 PolarHBondContact NZ-OE2 3.21Å; K375-I474 WeakPolarHBondContact CA-O 3.37Å; K375-D475 WeakPolarHBondContact CE-OD1 3.04Å |
| 376 | K | 74.8 | Confident | 72.4 | Confident | 99 Ų | 99 | 73.1 Ų | 73.1 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 137.8 | 178.1 | -76.8 | -177.5 | 178.6 | 174.7 | 0 | 107.7 | E243 P374 I474 | E243-K376 IonicContact OE1-NZ 3.53Å; E243-K376 IonicContact OE2-NZ 2.68Å; E243-K376 PolarHBondContact OE2-NZ 3.1Å; P374-K376 PolarHBondContact O-N 3.38Å; P374-K376 VanDerWaalsContact O-N 3.11Å; K376-I474 HydrophobicContact CB-CD1 4.46Å; K376-I474 HydrophobicContact CB-CG1 4.12Å; K376-I474 PolarHBondContact N-O 3.28Å; K376-I474 WeakPolarHBondContact O-CG1 3.46Å; K376-I474 PolarHBondContact O-N 3.36Å |
| 377 | K | 83.9 | Confident | 72.5 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 18% | 0.183 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.3 | 170.6 | -71.9 | 176.9 | 178 | 178.3 | 0 | 109.7 | I448 D451 D452 P471 E472 E473 | K377-I448 HydrophobicContact CB-CG2 3.85Å; K377-I448 VanDerWaalsContact CB-O 3.31Å; K377-I448 WeakPolarHBondContact CB-O 3.32Å; K377-I448 WeakPolarHBondContact CD-O 3.28Å; K377-I448 WeakPolarHBondContact O-CG2 3.22Å; K377-D451 PolarHBondContact NZ-O 3.4Å; K377-D451 VanDerWaalsContact NZ-O 3.14Å; K377-D452 WeakPolarHBondContact CE-OD1 3.45Å; K377-D452 IonicContact NZ-OD1 3.88Å; K377-D452 PolarHBondContact NZ-OD1 3.2Å; K377-P471 HydrophobicContact CB-CB 3.86Å; K377-P471 HydrophobicContact CD-CB 4.42Å; K377-P471 HydrophobicContact CG-CB 4.31Å; K377-E472 CarbonylContact C-O 3.43Å; K377-E472 WeakPolarHBondContact CA-O 3.48Å; K377-E473 HydrophobicContact CG-CG 4.39Å |
| 378 | Y | 84.6 | Confident | 72.8 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 28% | 0.278 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 143.3 | -175.3 | 173.5 | -97.5 | 0 | 0 | 0 | 110.9 | G380 I414 T417 E472 I474 | Y378-G380 VanDerWaalsContact CE1-N 3.28Å; Y378-G380 WeakPolarHBondContact OH-CA 3.16Å; Y378-I414 WeakPolarHBondContact OH-CD1 3Å; Y378-T417 HydrophobicContact CE1-CG2 3.97Å; Y378-E472 PolarHBondContact N-O 3.2Å; Y378-E472 PolarHBondContact O-N 3.15Å; Y378-I474 HydrophobicContact CG-CD1 4.3Å |
| 379 | I | 86.9 | Confident | 72.8 | Confident | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | trans | -120.2 | -13.5 | 177 | 66.2 | 170.5 | 0 | 0 | 0 | 114.5 | V381 T417 P418 A419 I448 L454 I469 P471 | I379-V381 HydrophobicContact CD1-CG1 3.72Å; I379-V381 HydrophobicContact CG1-CB 4.45Å; I379-V381 HydrophobicContact CG1-CG1 3.8Å; I379-T417 WeakPolarHBondContact O-CB 2.97Å; I379-T417 PolarHBondContact O-OG1 3.48Å; I379-P418 HydrophobicContact CB-CB 4.44Å; I379-A419 HydrophobicContact CB-CB 4.45Å; I379-A419 WeakPolarHBondContact O-CB 3.36Å; I379-A419 PolarHBondContact O-N 3.49Å; I379-I448 HydrophobicContact CD1-CD1 3.62Å; I379-I448 HydrophobicContact CD1-CG1 4.08Å; I379-I448 HydrophobicContact CG1-CD1 3.72Å; I379-I448 HydrophobicContact CG1-CG1 4.31Å; I379-I448 HydrophobicContact CG2-CD1 4.44Å; I379-I448 HydrophobicContact CG2-CG1 4.14Å; I379-I448 HydrophobicContact CG2-CG2 4.41Å; I379-L454 HydrophobicContact CG2-CD1 4.18Å; I379-I469 HydrophobicContact CB-CG2 3.96Å; I379-I469 HydrophobicContact CD1-CD1 4.41Å; I379-I469 HydrophobicContact CG2-CG2 3.7Å; I379-P471 HydrophobicContact CG2-CB 3.88Å; I379-P471 HydrophobicContact CG2-CG 3.85Å | ||
| 380 | G | 83.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | 84.5 | 44.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y378 I414 | Y378-G380 VanDerWaalsContact CE1-N 3.28Å; Y378-G380 WeakPolarHBondContact OH-CA 3.16Å; G380-I414 WeakPolarHBondContact O-CB 3.03Å; G380-I414 PolarHBondContact O-N 3.36Å | ||
| 381 | V | 76 | Confident | 73.9 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.7 | 179.8 | 72 | 0 | 0 | 0 | 0 | 111.7 | I379 M383 V410 E412 L424 | I379-V381 HydrophobicContact CD1-CG1 3.72Å; I379-V381 HydrophobicContact CG1-CB 4.45Å; I379-V381 HydrophobicContact CG1-CG1 3.8Å; V381-M383 HydrophobicContact CG1-SD 4.41Å; V381-V410 HydrophobicContact CG2-CB 4.36Å; V381-V410 HydrophobicContact CG2-CG1 3.58Å; V381-V410 HydrophobicContact CG2-CG2 4.09Å; V381-E412 WeakPolarHBondContact CA-O 3.35Å; V381-E412 WeakPolarHBondContact CG2-O 3.34Å; V381-L424 HydrophobicContact CB-CD2 4.29Å; V381-L424 HydrophobicContact CG2-CD2 3.81Å |
| 382 | R | 66.4 | Low | 75.4 | Confident | 144 Ų | 144 | 64.9 Ų | 64.9 | 54% | 0.543 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.3 | 161.6 | -65.1 | 173 | 72.7 | -170.8 | 3.1 | 108.6 | I411 E412 | R382-I411 HydrophobicContact CB-CB 4.36Å; R382-I411 WeakPolarHBondContact O-CB 3.43Å; R382-I411 PolarHBondContact O-N 3.16Å; R382-E412 HydrophobicContact CB-CB 4.1Å; R382-E412 WeakPolarHBondContact CD-OE2 3.09Å; R382-E412 HydrophobicContact CG-CB 4.47Å; R382-E412 IonicContact CZ-OE2 3.55Å; R382-E412 PolarHBondContact N-O 2.93Å; R382-E412 IonicContact NE-OE2 2.73Å; R382-E412 IonicContact NH1-OE2 3.18Å; R382-E412 PolarHBondContact NH1-OE2 2.9Å; R382-E412 PolarHBondContact O-N 3.19Å |
| 383 | M | 82.4 | Confident | 76.7 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 20% | 0.197 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.7 | -173.2 | 52.1 | 177.6 | 169.3 | 0 | 0 | 111.1 | V381 A408 Y409 A441 V444 S445 | V381-M383 HydrophobicContact CG1-SD 4.41Å; M383-A408 HydrophobicContact SD-CB 4.34Å; M383-Y409 CarbonylContact C-O 3.45Å; M383-Y409 WeakPolarHBondContact CA-O 3.37Å; M383-Y409 WeakPolarHBondContact CB-O 3.5Å; M383-A441 HydrophobicContact CB-CB 4.38Å; M383-A441 HydrophobicContact CE-CB 4.43Å; M383-A441 VanDerWaalsContact CE-O 3.32Å; M383-A441 WeakPolarHBondContact CE-O 3.31Å; M383-A441 HydrophobicContact CG-CB 3.81Å; M383-A441 HydrophobicContact SD-CB 3.87Å; M383-V444 HydrophobicContact CE-CB 3.9Å; M383-V444 HydrophobicContact CE-CG1 3.86Å; M383-V444 HydrophobicContact SD-CB 3.64Å; M383-V444 HydrophobicContact SD-CG1 3.66Å; M383-V444 HydrophobicContact SD-CG2 4.09Å; M383-S445 VanDerWaalsContact CE-OG 3.23Å; M383-S445 WeakPolarHBondContact CE-OG 3.33Å |
| 384 | M | 72.6 | Confident | 78.1 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.6 | 168.2 | 57.3 | 174.9 | 75.7 | 0 | 0 | 109.8 | L386 L390 A408 Y409 I411 | M384-L386 PolarHBondContact O-N 3.5Å; M384-L390 HydrophobicContact CG-CD2 4.12Å; M384-L390 HydrophobicContact SD-CD1 4.47Å; M384-L390 HydrophobicContact SD-CD2 3.37Å; M384-L390 WeakPolarHBondContact SD-CD2 3.48Å; M384-A408 CarbonylContact O-C 3.6Å; M384-Y409 HydrophobicContact CG-CD1 3.85Å; M384-Y409 HydrophobicContact CG-CG 4.47Å; M384-Y409 PolarHBondContact N-O 3.3Å; M384-Y409 PolarHBondContact O-N 2.78Å; M384-Y409 HydrophobicContact SD-CD1 4.18Å; M384-I411 HydrophobicContact CB-CD1 4.01Å; M384-I411 HydrophobicContact CE-CD1 3.28Å; M384-I411 HydrophobicContact CE-CG1 3.69Å; M384-I411 HydrophobicContact CG-CD1 3.91Å; M384-I411 HydrophobicContact CG-CG1 3.99Å; M384-I411 HydrophobicContact SD-CD1 4.4Å |
| 385 | S | 80.9 | Confident | 79.5 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129.8 | 173.4 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | T387 S440 A441 | S385-T387 PolarHBondContact O-N 3.16Å; S385-S440 WeakPolarHBondContact OG-CA 3.12Å; S385-S440 WeakPolarHBondContact OG-CB 2.94Å; S385-A441 PolarHBondContact OG-N 3.02Å |
| 386 | L | 79.4 | Confident | 80.7 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | -76.8 | 114.5 | 177.1 | -171.4 | 65.9 | 0 | 0 | 0 | 109.4 | M384 L390 A391 L394 F401 I404 G407 V429 | M384-L386 PolarHBondContact O-N 3.5Å; L386-L390 HydrophobicContact CD1-CB 4.38Å; L386-L390 HydrophobicContact CD1-CD2 4.09Å; L386-L390 HydrophobicContact CD1-CG 4.06Å; L386-A391 HydrophobicContact CD1-CB 3.99Å; L386-A391 HydrophobicContact CD2-CB 4.26Å; L386-A391 HydrophobicContact CG-CB 4.1Å; L386-L394 HydrophobicContact CD1-CD1 3.98Å; L386-F401 HydrophobicContact CD1-CZ 4.03Å; L386-F401 HydrophobicContact CD2-CZ 4.15Å; L386-I404 HydrophobicContact CD2-CG2 3.74Å; L386-G407 WeakPolarHBondContact CB-O 3.43Å; L386-G407 PolarHBondContact N-O 2.88Å; L386-V429 HydrophobicContact CD2-CG1 3.97Å; L386-V429 HydrophobicContact CD2-CG2 4.28Å | ||
| 387 | T | 82.3 | Confident | 81 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | trans | -95.9 | 157.9 | 171 | 65.7 | 0 | 0 | 0 | 0 | 110.2 | S385 S389 L390 A391 | S385-T387 PolarHBondContact O-N 3.16Å; T387-S389 PolarHBondContact O-N 3.27Å; T387-S389 PolarHBondContact OG1-OG 3.02Å; T387-L390 PolarHBondContact O-N 3.22Å; T387-L390 VanDerWaalsContact O-N 3.07Å; T387-L390 WeakPolarHBondContact OG1-CB 3.45Å; T387-L390 PolarHBondContact OG1-N 3.43Å; T387-A391 WeakPolarHBondContact O-CB 3.4Å; T387-A391 PolarHBondContact O-N 3.32Å | ||
| 388 | P | 85 | Confident | 80.9 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 60% | 0.597 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.3 | -35.7 | 175.8 | -27.8 | 35.4 | 0 | 0 | 0 | 113.5 | K392 | P388-K392 PolarHBondContact O-N 3.25Å; P388-K392 VanDerWaalsContact O-N 3.15Å |
| 389 | S | 77.6 | Confident | 80.9 | Confident | 89 Ų | 89 | 67 Ų | 67 | 62% | 0.622 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 176 | 58 | 0 | 0 | 0 | 0 | 112.3 | T387 K392 E393 | T387-S389 PolarHBondContact O-N 3.27Å; T387-S389 PolarHBondContact OG1-OG 3.02Å; S389-K392 PolarHBondContact O-N 2.83Å; S389-E393 PolarHBondContact O-N 2.97Å; S389-E393 VanDerWaalsContact O-N 3.11Å |
| 390 | L | 76.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 178.4 | 177.6 | 63.3 | 0 | 0 | 0 | 111.4 | M384 L386 T387 K392 E393 L394 | M384-L390 HydrophobicContact CG-CD2 4.12Å; M384-L390 HydrophobicContact SD-CD1 4.47Å; M384-L390 HydrophobicContact SD-CD2 3.37Å; M384-L390 WeakPolarHBondContact SD-CD2 3.48Å; L386-L390 HydrophobicContact CD1-CB 4.38Å; L386-L390 HydrophobicContact CD1-CD2 4.09Å; L386-L390 HydrophobicContact CD1-CG 4.06Å; T387-L390 PolarHBondContact O-N 3.22Å; T387-L390 VanDerWaalsContact O-N 3.07Å; T387-L390 WeakPolarHBondContact OG1-CB 3.45Å; T387-L390 PolarHBondContact OG1-N 3.43Å; L390-K392 VanDerWaalsContact C-N 3.27Å; L390-K392 PolarHBondContact O-N 3.01Å; L390-E393 PolarHBondContact O-N 3.12Å; L390-L394 HydrophobicContact CD1-CD1 4.14Å; L390-L394 HydrophobicContact CD1-CG 4.05Å; L390-L394 HydrophobicContact CD2-CD1 4.48Å; L390-L394 HydrophobicContact CG-CD1 3.9Å; L390-L394 HydrophobicContact CG-CG 4.26Å; L390-L394 WeakPolarHBondContact O-CB 3.25Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.46Å; L390-L394 PolarHBondContact O-N 3.05Å |
| 391 | A | 80.3 | Confident | 80.9 | Confident | 8 Ų | 8 | 72 Ų | 72 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L386 T387 L394 K395 F401 I404 | L386-A391 HydrophobicContact CD1-CB 3.99Å; L386-A391 HydrophobicContact CD2-CB 4.26Å; L386-A391 HydrophobicContact CG-CB 4.1Å; T387-A391 WeakPolarHBondContact O-CB 3.4Å; T387-A391 PolarHBondContact O-N 3.32Å; A391-L394 PolarHBondContact O-N 2.84Å; A391-K395 VanDerWaalsContact O-CB 3.3Å; A391-K395 WeakPolarHBondContact O-CB 3.28Å; A391-K395 PolarHBondContact O-N 3.33Å; A391-F401 HydrophobicContact CB-CE1 4.37Å; A391-I404 WeakPolarHBondContact CB-O 3.48Å |
| 392 | K | 83.8 | Confident | 81.4 | Confident | 136 Ų | 136 | 71.2 Ų | 71.2 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.4 | -47.8 | 175.6 | -171.1 | -177 | 178.5 | -167.8 | 0 | 111.8 | P388 S389 L390 L394 K395 E396 | P388-K392 PolarHBondContact O-N 3.25Å; P388-K392 VanDerWaalsContact O-N 3.15Å; S389-K392 PolarHBondContact O-N 2.83Å; L390-K392 VanDerWaalsContact C-N 3.27Å; L390-K392 PolarHBondContact O-N 3.01Å; K392-L394 PolarHBondContact O-N 3.31Å; K392-K395 PolarHBondContact O-N 2.98Å; K392-E396 WeakPolarHBondContact CE-OE1 3.42Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 3.09Å |
| 393 | E | 80.3 | Confident | 82.4 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 45% | 0.453 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.8 | -173.2 | -172.7 | 163.5 | 0 | 0 | 111.9 | S389 L390 K395 E396 R397 | S389-E393 PolarHBondContact O-N 2.97Å; S389-E393 VanDerWaalsContact O-N 3.11Å; L390-E393 PolarHBondContact O-N 3.12Å; E393-K395 VanDerWaalsContact C-N 3.32Å; E393-K395 PolarHBondContact O-N 3.42Å; E393-E396 PolarHBondContact O-N 3.29Å; E393-R397 WeakPolarHBondContact O-CB 3.12Å; E393-R397 PolarHBondContact O-N 3.45Å; E393-R397 IonicContact OE1-NH2 2.77Å |
| 394 | L | 83.7 | Confident | 82.8 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 178 | -70.3 | 173.7 | 0 | 0 | 0 | 111.5 | L386 L390 A391 K392 R397 H398 F401 Y409 | L386-L394 HydrophobicContact CD1-CD1 3.98Å; L390-L394 HydrophobicContact CD1-CD1 4.14Å; L390-L394 HydrophobicContact CD1-CG 4.05Å; L390-L394 HydrophobicContact CD2-CD1 4.48Å; L390-L394 HydrophobicContact CG-CD1 3.9Å; L390-L394 HydrophobicContact CG-CG 4.26Å; L390-L394 WeakPolarHBondContact O-CB 3.25Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.46Å; L390-L394 PolarHBondContact O-N 3.05Å; A391-L394 PolarHBondContact O-N 2.84Å; K392-L394 PolarHBondContact O-N 3.31Å; L394-R397 PolarHBondContact O-N 2.97Å; L394-H398 WeakPolarHBondContact O-CA 3.48Å; L394-H398 WeakPolarHBondContact O-CB 3.46Å; L394-H398 PolarHBondContact O-N 3.42Å; L394-F401 HydrophobicContact CB-CD1 3.96Å; L394-F401 HydrophobicContact CB-CD2 3.92Å; L394-F401 HydrophobicContact CB-CE1 4.01Å; L394-F401 HydrophobicContact CB-CE2 4Å; L394-F401 HydrophobicContact CB-CG 3.92Å; L394-F401 HydrophobicContact CB-CZ 4.04Å; L394-F401 HydrophobicContact CD1-CD2 4.37Å; L394-F401 HydrophobicContact CD1-CE1 4.37Å; L394-F401 HydrophobicContact CD1-CE2 3.67Å; L394-F401 HydrophobicContact CD1-CZ 3.66Å; L394-F401 HydrophobicContact CG-CE2 4.43Å; L394-Y409 HydrophobicContact CD1-CD1 4.45Å; L394-Y409 HydrophobicContact CD1-CD2 3.86Å; L394-Y409 HydrophobicContact CD1-CE1 4.39Å; L394-Y409 HydrophobicContact CD1-CE2 3.78Å; L394-Y409 HydrophobicContact CD1-CG 4.19Å |
| 395 | K | 85.4 | Confident | 83.6 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.9 | -35.5 | 176.1 | -170.1 | 62.1 | 170.6 | 172.1 | 0 | 113.2 | A391 K392 E393 S399 F401 | A391-K395 VanDerWaalsContact O-CB 3.3Å; A391-K395 WeakPolarHBondContact O-CB 3.28Å; A391-K395 PolarHBondContact O-N 3.33Å; K392-K395 PolarHBondContact O-N 2.98Å; E393-K395 VanDerWaalsContact C-N 3.32Å; E393-K395 PolarHBondContact O-N 3.42Å; K395-S399 PolarHBondContact NZ-O 2.83Å; K395-F401 HydrophobicContact CB-CD1 4.36Å; K395-F401 HydrophobicContact CD-CB 4.21Å; K395-F401 WeakPolarHBondContact CD-O 3.35Å; K395-F401 WeakPolarHBondContact CE-O 3.38Å; K395-F401 PolarHBondContact NZ-O 3.48Å |
| 396 | E | 87 | Confident | 83.9 | Confident | 141 Ų | 141 | 71.8 Ų | 71.8 | 66% | 0.659 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.4 | -36.4 | 174.3 | -73.6 | 172.3 | -176 | 0 | 0 | 111.8 | K392 E393 | K392-E396 WeakPolarHBondContact CE-OE1 3.42Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 3.09Å; E393-E396 PolarHBondContact O-N 3.29Å |
| 397 | R | 82.3 | Confident | 84.5 | Confident | 173 Ų | 173 | 71.5 Ų | 71.5 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -82.8 | -34.3 | -179.6 | -170.8 | -177.7 | -68.1 | -123.6 | 4.8 | 113.5 | E393 L394 | E393-R397 WeakPolarHBondContact O-CB 3.12Å; E393-R397 PolarHBondContact O-N 3.45Å; E393-R397 IonicContact OE1-NH2 2.77Å; L394-R397 PolarHBondContact O-N 2.97Å |
| 398 | H | 82.3 | Confident | 84.9 | Confident | 45 Ų | 45 | 69 Ų | 69 | 21% | 0.208 | 37% | 0.365 | C | S | . | . | trans | -129.1 | 102.1 | -174.4 | -61.2 | -67.1 | 0 | 0 | 0 | 108.9 | L394 D400 F401 R427 | L394-H398 WeakPolarHBondContact O-CA 3.48Å; L394-H398 WeakPolarHBondContact O-CB 3.46Å; L394-H398 PolarHBondContact O-N 3.42Å; H398-D400 PolarHBondContact O-N 3.39Å; H398-F401 HydrophobicContact CB-CB 4.18Å; H398-F401 WeakPolarHBondContact O-CB 3.45Å; H398-F401 PolarHBondContact O-N 3.09Å; H398-R427 PolarHBondContact ND1-NH1 2.03Å | ||
| 399 | S | 83.1 | Confident | 85 | Confident | 107 Ų | 107 | 65.5 Ų | 65.5 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.2 | -176.3 | 53 | 0 | 0 | 0 | 0 | 112.9 | K395 F401 | K395-S399 PolarHBondContact NZ-O 2.83Å; S399-F401 VanDerWaalsContact C-N 3.33Å |
| 400 | D | 84.7 | Confident | 85.5 | Confident | 101 Ų | 101 | 61.3 Ų | 61.3 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.8 | 176.5 | 64.7 | -40.1 | 0 | 0 | 0 | 114.1 | H398 G461 | H398-D400 PolarHBondContact O-N 3.39Å; D400-G461 WeakPolarHBondContact O-CA 3.05Å |
| 401 | F | 87.1 | Confident | 85.3 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -63.2 | 136 | 176.6 | -170.7 | -100.1 | 0 | 0 | 0 | 110.9 | L386 A391 L394 K395 H398 S399 I404 Y409 V429 | L386-F401 HydrophobicContact CD1-CZ 4.03Å; L386-F401 HydrophobicContact CD2-CZ 4.15Å; A391-F401 HydrophobicContact CB-CE1 4.37Å; L394-F401 HydrophobicContact CB-CD1 3.96Å; L394-F401 HydrophobicContact CB-CD2 3.92Å; L394-F401 HydrophobicContact CB-CE1 4.01Å; L394-F401 HydrophobicContact CB-CE2 4Å; L394-F401 HydrophobicContact CB-CG 3.92Å; L394-F401 HydrophobicContact CB-CZ 4.04Å; L394-F401 HydrophobicContact CD1-CD2 4.37Å; L394-F401 HydrophobicContact CD1-CE1 4.37Å; L394-F401 HydrophobicContact CD1-CE2 3.67Å; L394-F401 HydrophobicContact CD1-CZ 3.66Å; L394-F401 HydrophobicContact CG-CE2 4.43Å; K395-F401 HydrophobicContact CB-CD1 4.36Å; K395-F401 HydrophobicContact CD-CB 4.21Å; K395-F401 WeakPolarHBondContact CD-O 3.35Å; K395-F401 WeakPolarHBondContact CE-O 3.38Å; K395-F401 PolarHBondContact NZ-O 3.48Å; H398-F401 HydrophobicContact CB-CB 4.18Å; H398-F401 WeakPolarHBondContact O-CB 3.45Å; H398-F401 PolarHBondContact O-N 3.09Å; S399-F401 VanDerWaalsContact C-N 3.33Å; F401-I404 HydrophobicContact CE1-CG2 4.4Å; F401-Y409 AromaticContact CE2-CD2 3.88Å; F401-Y409 HydrophobicContact CE2-CD2 3.88Å; F401-Y409 AromaticContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CZ-CD2 4.41Å; F401-V429 HydrophobicContact CE2-CG2 3.95Å; F401-V429 HydrophobicContact CZ-CG2 3.86Å |
| 402 | P | 86.8 | Confident | 84.8 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | trans | -58.5 | 151.4 | 179.5 | 16.6 | -29.6 | 0 | 0 | 0 | 114.3 | I404 V429 R459 G461 | P402-I404 HydrophobicContact CB-CB 4.41Å; P402-I404 HydrophobicContact CB-CG2 3.87Å; P402-I404 HydrophobicContact CG-CG2 3.75Å; P402-I404 PolarHBondContact O-N 2.96Å; P402-V429 HydrophobicContact CG-CG2 4.28Å; P402-R459 HydrophobicContact CB-CB 4.47Å; P402-R459 HydrophobicContact CB-CG 3.25Å; P402-R459 HydrophobicContact CG-CB 4.35Å; P402-R459 HydrophobicContact CG-CG 3.53Å; P402-G461 WeakPolarHBondContact CB-O 3Å | ||
| 403 | D | 87.6 | Confident | 84.3 | Confident | 154 Ų | 154 | 61 Ų | 61 | 82% | 0.824 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -78 | 77.4 | 167.4 | -167.5 | 16.7 | 0 | 0 | 0 | 110.1 | ||
| 404 | I | 89.4 | Confident | 83.8 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 14% | 0.138 | 30% | 0.302 | C | S | . | . | trans | -138.9 | 139.6 | -179.6 | -167.3 | 169.7 | 0 | 0 | 0 | 111 | L386 A391 F401 P402 S406 V429 I431 | L386-I404 HydrophobicContact CD2-CG2 3.74Å; A391-I404 WeakPolarHBondContact CB-O 3.48Å; F401-I404 HydrophobicContact CE1-CG2 4.4Å; P402-I404 HydrophobicContact CB-CB 4.41Å; P402-I404 HydrophobicContact CB-CG2 3.87Å; P402-I404 HydrophobicContact CG-CG2 3.75Å; P402-I404 PolarHBondContact O-N 2.96Å; I404-S406 VanDerWaalsContact CD1-O 3.29Å; I404-S406 WeakPolarHBondContact CD1-O 3.4Å; I404-S406 WeakPolarHBondContact CG1-O 3.46Å; I404-V429 HydrophobicContact CD1-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CB 4.4Å; I404-V429 HydrophobicContact CG2-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CG2 4.2Å; I404-I431 HydrophobicContact CD1-CB 4.37Å; I404-I431 HydrophobicContact CD1-CG2 3.16Å | ||
| 405 | T | 89.2 | Confident | 83 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -113.3 | -2.7 | -172.1 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 406 | S | 88.6 | Confident | 82.5 | Confident | 56 Ų | 56 | 66 Ų | 66 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -149.1 | 158.3 | -179.6 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | I404 | I404-S406 VanDerWaalsContact CD1-O 3.29Å; I404-S406 WeakPolarHBondContact CD1-O 3.4Å; I404-S406 WeakPolarHBondContact CG1-O 3.46Å |
| 407 | G | 90.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 134 | -172.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L386 I430 V438 T439 | L386-G407 WeakPolarHBondContact CB-O 3.43Å; L386-G407 PolarHBondContact N-O 2.88Å; G407-I430 WeakPolarHBondContact CA-O 3.18Å; G407-V438 WeakPolarHBondContact CA-O 3.34Å; G407-T439 PolarHBondContact N-O 3.3Å |
| 408 | A | 90.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 112.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | M383 M384 V429 I430 V438 A441 V444 | M383-A408 HydrophobicContact SD-CB 4.34Å; M384-A408 CarbonylContact O-C 3.6Å; A408-V429 WeakPolarHBondContact O-CA 3.3Å; A408-I430 HydrophobicContact CB-CB 4.27Å; A408-I430 PolarHBondContact N-O 3.2Å; A408-I430 PolarHBondContact O-N 3.33Å; A408-V438 HydrophobicContact CB-CG1 4.06Å; A408-A441 HydrophobicContact CB-CB 4.45Å; A408-V444 HydrophobicContact CB-CG2 3.59Å |
| 409 | Y | 87 | Confident | 83 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 125.7 | 177.6 | 175.9 | -103.7 | 0 | 0 | 0 | 110.4 | M383 M384 L394 F401 I411 R427 V429 | M383-Y409 CarbonylContact C-O 3.45Å; M383-Y409 WeakPolarHBondContact CA-O 3.37Å; M383-Y409 WeakPolarHBondContact CB-O 3.5Å; M384-Y409 HydrophobicContact CG-CD1 3.85Å; M384-Y409 HydrophobicContact CG-CG 4.47Å; M384-Y409 PolarHBondContact N-O 3.3Å; M384-Y409 PolarHBondContact O-N 2.78Å; M384-Y409 HydrophobicContact SD-CD1 4.18Å; L394-Y409 HydrophobicContact CD1-CD1 4.45Å; L394-Y409 HydrophobicContact CD1-CD2 3.86Å; L394-Y409 HydrophobicContact CD1-CE1 4.39Å; L394-Y409 HydrophobicContact CD1-CE2 3.78Å; L394-Y409 HydrophobicContact CD1-CG 4.19Å; F401-Y409 AromaticContact CE2-CD2 3.88Å; F401-Y409 HydrophobicContact CE2-CD2 3.88Å; F401-Y409 AromaticContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CZ-CD2 4.41Å; Y409-I411 HydrophobicContact CD1-CG1 4.07Å; Y409-I411 HydrophobicContact CE1-CG1 4.28Å; Y409-I411 PolarHBondContact O-N 3.44Å; Y409-R427 HydrophobicContact CE2-CB 4.01Å; Y409-R427 HydrophobicContact CE2-CG 4.49Å; Y409-R427 WeakPolarHBondContact OH-CG 3.26Å; Y409-V429 HydrophobicContact CD2-CG2 4.13Å |
| 410 | V | 88.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111.8 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | V381 V413 L424 K425 R427 D428 I430 | V381-V410 HydrophobicContact CG2-CB 4.36Å; V381-V410 HydrophobicContact CG2-CG1 3.58Å; V381-V410 HydrophobicContact CG2-CG2 4.09Å; V410-V413 HydrophobicContact CG1-CG2 3.6Å; V410-L424 HydrophobicContact CG1-CD2 4.39Å; V410-L424 HydrophobicContact CG2-CD1 4.28Å; V410-L424 HydrophobicContact CG2-CD2 4.04Å; V410-L424 HydrophobicContact CG2-CG 4.28Å; V410-K425 WeakPolarHBondContact CG1-O 3.43Å; V410-R427 PolarHBondContact O-N 3.38Å; V410-D428 HydrophobicContact CB-CB 4.39Å; V410-D428 WeakPolarHBondContact CB-O 3.4Å; V410-D428 HydrophobicContact CG2-CB 4.19Å; V410-D428 WeakPolarHBondContact CG2-O 3.25Å; V410-D428 PolarHBondContact N-O 2.83Å; V410-I430 HydrophobicContact CG2-CD1 4.14Å; V410-I430 HydrophobicContact CG2-CG1 4.2Å |
| 411 | I | 72.4 | Confident | 83.4 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -39.9 | 179.7 | -52.8 | 169.5 | 0 | 0 | 0 | 110.7 | R382 M384 Y409 E426 | R382-I411 HydrophobicContact CB-CB 4.36Å; R382-I411 WeakPolarHBondContact O-CB 3.43Å; R382-I411 PolarHBondContact O-N 3.16Å; M384-I411 HydrophobicContact CB-CD1 4.01Å; M384-I411 HydrophobicContact CE-CD1 3.28Å; M384-I411 HydrophobicContact CE-CG1 3.69Å; M384-I411 HydrophobicContact CG-CD1 3.91Å; M384-I411 HydrophobicContact CG-CG1 3.99Å; M384-I411 HydrophobicContact SD-CD1 4.4Å; Y409-I411 HydrophobicContact CD1-CG1 4.07Å; Y409-I411 HydrophobicContact CE1-CG1 4.28Å; Y409-I411 PolarHBondContact O-N 3.44Å; I411-E426 VanDerWaalsContact O-CG 3.31Å; I411-E426 WeakPolarHBondContact O-CG 3.05Å |
| 412 | E | 70.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 49 Ų | 49 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 137.9 | -173.8 | -172.2 | -179 | 178.9 | 0 | 0 | 109 | V381 R382 | V381-E412 WeakPolarHBondContact CA-O 3.35Å; V381-E412 WeakPolarHBondContact CG2-O 3.34Å; R382-E412 HydrophobicContact CB-CB 4.1Å; R382-E412 WeakPolarHBondContact CD-OE2 3.09Å; R382-E412 HydrophobicContact CG-CB 4.47Å; R382-E412 IonicContact CZ-OE2 3.55Å; R382-E412 PolarHBondContact N-O 2.93Å; R382-E412 IonicContact NE-OE2 2.73Å; R382-E412 IonicContact NH1-OE2 3.18Å; R382-E412 PolarHBondContact NH1-OE2 2.9Å; R382-E412 PolarHBondContact O-N 3.19Å |
| 413 | V | 73.7 | Confident | 84.1 | Confident | 27 Ų | 27 | 50 Ų | 50 | 16% | 0.164 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.2 | 169 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | V410 A419 E420 L424 | V410-V413 HydrophobicContact CG1-CG2 3.6Å; V413-A419 HydrophobicContact CG1-CB 3.9Å; V413-E420 HydrophobicContact CG1-CB 3.9Å; V413-L424 HydrophobicContact CG2-CB 4.3Å; V413-L424 HydrophobicContact CG2-CD2 4.22Å; V413-L424 HydrophobicContact CG2-CG 4.12Å |
| 414 | I | 69.5 | Low | 84.3 | Confident | 49 Ų | 49 | 43 Ų | 43 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | trans | -79.4 | 131.2 | -175.2 | -62.7 | 167 | 0 | 0 | 0 | 108.5 | Y378 G380 T417 | Y378-I414 WeakPolarHBondContact OH-CD1 3Å; G380-I414 WeakPolarHBondContact O-CB 3.03Å; G380-I414 PolarHBondContact O-N 3.36Å; I414-T417 HydrophobicContact CB-CG2 3.83Å; I414-T417 HydrophobicContact CG2-CG2 3.72Å; I414-T417 WeakPolarHBondContact O-CB 3.46Å; I414-T417 VanDerWaalsContact O-CG2 3.24Å; I414-T417 WeakPolarHBondContact O-CG2 3.22Å; I414-T417 PolarHBondContact O-OG1 3.39Å | ||
| 415 | S | 65.9 | Low | 84.5 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 148.1 | -178.8 | -63.5 | 0 | 0 | 0 | 0 | 113.8 | E420 | S415-E420 VanDerWaalsContact CA-OE1 3.29Å; S415-E420 WeakPolarHBondContact CA-OE1 3.35Å; S415-E420 WeakPolarHBondContact CA-OE2 3.44Å; S415-E420 WeakPolarHBondContact CB-OE1 3.45Å; S415-E420 PolarHBondContact OG-OE1 2.03Å |
| 416 | R | 76.2 | Confident | 84.2 | Confident | 176 Ų | 176 | 48.6 Ų | 48.6 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 45.5 | -174.8 | -63.7 | -178.3 | -80.2 | 169.2 | -3.6 | 112.6 | E420 | R416-E420 PolarHBondContact N-OE2 3.44Š|
| 417 | T | 82.8 | Confident | 84.1 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -126.8 | 164.3 | 175.7 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | Y378 I379 I414 A419 E420 A421 | Y378-T417 HydrophobicContact CE1-CG2 3.97Å; I379-T417 WeakPolarHBondContact O-CB 2.97Å; I379-T417 PolarHBondContact O-OG1 3.48Å; I414-T417 HydrophobicContact CB-CG2 3.83Å; I414-T417 HydrophobicContact CG2-CG2 3.72Å; I414-T417 WeakPolarHBondContact O-CB 3.46Å; I414-T417 VanDerWaalsContact O-CG2 3.24Å; I414-T417 WeakPolarHBondContact O-CG2 3.22Å; I414-T417 PolarHBondContact O-OG1 3.39Å; T417-A419 PolarHBondContact O-N 2.96Å; T417-E420 PolarHBondContact O-N 2.72Å; T417-A421 PolarHBondContact O-N 3.46Å |
| 418 | P | 90.8 | Very high | 84.2 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.5 | -35.1 | 177.9 | -31.5 | 38.4 | 0 | 0 | 0 | 114.8 | I379 A421 A422 I469 I470 E472 | I379-P418 HydrophobicContact CB-CB 4.44Å; P418-A421 PolarHBondContact O-N 2.85Å; P418-A422 WeakPolarHBondContact O-CB 3.31Å; P418-A422 PolarHBondContact O-N 3.43Å; P418-I469 HydrophobicContact CB-CG2 3.92Å; P418-I470 WeakPolarHBondContact CB-O 3.48Å; P418-I470 WeakPolarHBondContact CG-O 3.28Å; P418-E472 HydrophobicContact CG-CB 3.95Å; P418-E472 HydrophobicContact CG-CG 3.56Å |
| 419 | A | 87.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I379 V413 T417 A422 G423 L424 | I379-A419 HydrophobicContact CB-CB 4.45Å; I379-A419 WeakPolarHBondContact O-CB 3.36Å; I379-A419 PolarHBondContact O-N 3.49Å; V413-A419 HydrophobicContact CG1-CB 3.9Å; T417-A419 PolarHBondContact O-N 2.96Å; A419-A422 PolarHBondContact O-N 2.77Å; A419-G423 PolarHBondContact O-N 2.9Å; A419-L424 HydrophobicContact CB-CB 4.16Å; A419-L424 HydrophobicContact CB-CD2 3.87Å; A419-L424 VanDerWaalsContact O-CB 3.23Å; A419-L424 WeakPolarHBondContact O-CB 3.36Å; A419-L424 PolarHBondContact O-N 3.2Å |
| 420 | E | 87.9 | Confident | 85 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 175.8 | -171.2 | -174.2 | -119.3 | 0 | 0 | 110.7 | V413 S415 R416 T417 A422 G423 | V413-E420 HydrophobicContact CG1-CB 3.9Å; S415-E420 VanDerWaalsContact CA-OE1 3.29Å; S415-E420 WeakPolarHBondContact CA-OE1 3.35Å; S415-E420 WeakPolarHBondContact CA-OE2 3.44Å; S415-E420 WeakPolarHBondContact CB-OE1 3.45Å; S415-E420 PolarHBondContact OG-OE1 2.03Å; R416-E420 PolarHBondContact N-OE2 3.44Å; T417-E420 PolarHBondContact O-N 2.72Å; E420-A422 VanDerWaalsContact C-N 3.25Å; E420-A422 PolarHBondContact O-N 2.77Å; E420-G423 PolarHBondContact O-N 3.07Å |
| 421 | A | 88.4 | Confident | 85.4 | Confident | 90 Ų | 90 | 51.8 Ų | 51.8 | 74% | 0.744 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.3 | -34.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T417 P418 G423 | T417-A421 PolarHBondContact O-N 3.46Å; P418-A421 PolarHBondContact O-N 2.85Å; A421-G423 VanDerWaalsContact C-N 3.25Å; A421-G423 PolarHBondContact O-N 3.47Å |
| 422 | A | 93.8 | Very high | 86.6 | Confident | 24 Ų | 24 | 50 Ų | 50 | 20% | 0.198 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -7.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P418 A419 E420 L467 T468 I469 | P418-A422 WeakPolarHBondContact O-CB 3.31Å; P418-A422 PolarHBondContact O-N 3.43Å; A419-A422 PolarHBondContact O-N 2.77Å; E420-A422 VanDerWaalsContact C-N 3.25Å; E420-A422 PolarHBondContact O-N 2.77Å; A422-L467 WeakPolarHBondContact O-CD2 3.01Å; A422-T468 WeakPolarHBondContact CB-O 3.33Å; A422-I469 HydrophobicContact CB-CB 4.22Å; A422-I469 HydrophobicContact CB-CG1 3.66Å; A422-I469 HydrophobicContact CB-CG2 4.41Å |
| 423 | G | 93.8 | Very high | 87.9 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 20.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A419 E420 A421 R460 | A419-G423 PolarHBondContact O-N 2.9Å; E420-G423 PolarHBondContact O-N 3.07Å; A421-G423 VanDerWaalsContact C-N 3.25Å; A421-G423 PolarHBondContact O-N 3.47Å; G423-R460 PolarHBondContact O-NH2 3.48Å |
| 424 | L | 93.6 | Very high | 89 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | trans | -66.3 | 140.3 | 169.3 | -165.9 | 70.3 | 0 | 0 | 0 | 109 | V381 V410 V413 A419 D428 V458 L467 | V381-L424 HydrophobicContact CB-CD2 4.29Å; V381-L424 HydrophobicContact CG2-CD2 3.81Å; V410-L424 HydrophobicContact CG1-CD2 4.39Å; V410-L424 HydrophobicContact CG2-CD1 4.28Å; V410-L424 HydrophobicContact CG2-CD2 4.04Å; V410-L424 HydrophobicContact CG2-CG 4.28Å; V413-L424 HydrophobicContact CG2-CB 4.3Å; V413-L424 HydrophobicContact CG2-CD2 4.22Å; V413-L424 HydrophobicContact CG2-CG 4.12Å; A419-L424 HydrophobicContact CB-CB 4.16Å; A419-L424 HydrophobicContact CB-CD2 3.87Å; A419-L424 VanDerWaalsContact O-CB 3.23Å; A419-L424 WeakPolarHBondContact O-CB 3.36Å; A419-L424 PolarHBondContact O-N 3.2Å; L424-D428 HydrophobicContact CD1-CB 4.17Å; L424-V458 HydrophobicContact CD1-CG1 3.71Å; L424-L467 HydrophobicContact CB-CD1 4.04Å; L424-L467 HydrophobicContact CD1-CD1 3.73Å | ||
| 425 | K | 91.9 | Very high | 90.1 | Very high | 119 Ų | 119 | 48.5 Ų | 48.5 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | trans | -125.9 | 159.8 | -178.2 | -66.1 | -176 | -175.8 | -178.6 | 0 | 111.4 | V410 D428 | V410-K425 WeakPolarHBondContact CG1-O 3.43Å; K425-D428 PolarHBondContact N-OD2 2.9Å; K425-D428 WeakPolarHBondContact O-CB 3.39Å; K425-D428 PolarHBondContact O-N 3.43Å | ||
| 426 | E | 84.1 | Confident | 91.5 | Very high | 107 Ų | 107 | 48.7 Ų | 48.7 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 142.1 | 164.9 | -160.7 | -166.1 | 125.2 | 0 | 0 | 109.9 | I411 D428 | I411-E426 VanDerWaalsContact O-CG 3.31Å; I411-E426 WeakPolarHBondContact O-CG 3.05Å; E426-D428 PolarHBondContact O-N 3.3Å |
| 427 | R | 85.6 | Confident | 92.5 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 0.1 | 178.6 | -39.5 | -175.5 | -168.1 | 168.3 | 5 | 116.3 | H398 Y409 V410 | H398-R427 PolarHBondContact ND1-NH1 2.03Å; Y409-R427 HydrophobicContact CE2-CB 4.01Å; Y409-R427 HydrophobicContact CE2-CG 4.49Å; Y409-R427 WeakPolarHBondContact OH-CG 3.26Å; V410-R427 PolarHBondContact O-N 3.38Å |
| 428 | D | 94.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | trans | -59.6 | 141.1 | 164.9 | -73.9 | -13.7 | 0 | 0 | 0 | 109.4 | V410 L424 K425 E426 V458 R460 | V410-D428 HydrophobicContact CB-CB 4.39Å; V410-D428 WeakPolarHBondContact CB-O 3.4Å; V410-D428 HydrophobicContact CG2-CB 4.19Å; V410-D428 WeakPolarHBondContact CG2-O 3.25Å; V410-D428 PolarHBondContact N-O 2.83Å; L424-D428 HydrophobicContact CD1-CB 4.17Å; K425-D428 PolarHBondContact N-OD2 2.9Å; K425-D428 WeakPolarHBondContact O-CB 3.39Å; K425-D428 PolarHBondContact O-N 3.43Å; E426-D428 PolarHBondContact O-N 3.3Å; D428-V458 HydrophobicContact CB-CB 4.12Å; D428-V458 HydrophobicContact CB-CG1 4.5Å; D428-V458 HydrophobicContact CB-CG2 4.33Å; D428-R460 WeakPolarHBondContact OD1-CB 3.36Å; D428-R460 WeakPolarHBondContact OD1-CG 3.46Å; D428-R460 IonicContact OD1-CZ 2.78Å; D428-R460 IonicContact OD1-NE 2.76Å; D428-R460 PolarHBondContact OD1-NE 2.87Å; D428-R460 IonicContact OD1-NH2 3.91Å; D428-R460 PolarHBondContact OD1-NH2 2.98Å; D428-R460 IonicContact OD2-CZ 2.73Å; D428-R460 IonicContact OD2-NE 3.72Å; D428-R460 IonicContact OD2-NH2 3Å; D428-R460 PolarHBondContact OD2-NH2 2.86Å | ||
| 429 | V | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.1 | 169.3 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | L386 F401 P402 I404 A408 Y409 I431 V458 R459 | L386-V429 HydrophobicContact CD2-CG1 3.97Å; L386-V429 HydrophobicContact CD2-CG2 4.28Å; F401-V429 HydrophobicContact CE2-CG2 3.95Å; F401-V429 HydrophobicContact CZ-CG2 3.86Å; P402-V429 HydrophobicContact CG-CG2 4.28Å; I404-V429 HydrophobicContact CD1-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CB 4.4Å; I404-V429 HydrophobicContact CG2-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CG2 4.2Å; A408-V429 WeakPolarHBondContact O-CA 3.3Å; Y409-V429 HydrophobicContact CD2-CG2 4.13Å; V429-I431 HydrophobicContact CG1-CG2 4.1Å; V429-I431 PolarHBondContact O-N 3.15Å; V429-V458 CarbonylContact O-C 3.56Å; V429-V458 VanDerWaalsContact O-CA 3.27Å; V429-V458 WeakPolarHBondContact O-CA 3.32Å; V429-R459 HydrophobicContact CB-CB 4.35Å; V429-R459 PolarHBondContact N-O 2.97Å; V429-R459 PolarHBondContact O-N 2.9Å |
| 430 | I | 97.3 | Very high | 93 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.1 | 175.2 | -56.8 | 166.5 | 0 | 0 | 0 | 108.5 | G407 A408 V410 I433 V438 V444 T456 V458 | G407-I430 WeakPolarHBondContact CA-O 3.18Å; A408-I430 HydrophobicContact CB-CB 4.27Å; A408-I430 PolarHBondContact N-O 3.2Å; A408-I430 PolarHBondContact O-N 3.33Å; V410-I430 HydrophobicContact CG2-CD1 4.14Å; V410-I430 HydrophobicContact CG2-CG1 4.2Å; I430-I433 HydrophobicContact CG2-CD1 4.13Å; I430-I433 HydrophobicContact CG2-CG1 3.97Å; I430-V438 HydrophobicContact CG2-CB 4.35Å; I430-V438 HydrophobicContact CG2-CG1 4.28Å; I430-V438 HydrophobicContact CG2-CG2 4.14Å; I430-V438 WeakPolarHBondContact O-CG1 3.32Å; I430-V444 HydrophobicContact CB-CG2 4.41Å; I430-V444 HydrophobicContact CD1-CG1 4.12Å; I430-V444 HydrophobicContact CD1-CG2 4.11Å; I430-V444 HydrophobicContact CG2-CG2 4.17Å; I430-T456 HydrophobicContact CB-CG2 4.41Å; I430-T456 HydrophobicContact CD1-CG2 4.47Å; I430-T456 HydrophobicContact CG1-CG2 4.11Å; I430-T456 HydrophobicContact CG2-CG2 3.56Å; I430-V458 HydrophobicContact CB-CG1 4.49Å; I430-V458 HydrophobicContact CG1-CG1 3.89Å |
| 431 | I | 97.3 | Very high | 92.7 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 18% | 0.179 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -21.1 | -174.7 | 62.7 | 172.6 | 0 | 0 | 0 | 113.1 | I404 V429 V438 V457 R459 D464 | I404-I431 HydrophobicContact CD1-CB 4.37Å; I404-I431 HydrophobicContact CD1-CG2 3.16Å; V429-I431 HydrophobicContact CG1-CG2 4.1Å; V429-I431 PolarHBondContact O-N 3.15Å; I431-V438 PolarHBondContact O-N 3.2Å; I431-V457 HydrophobicContact CD1-CG1 3.9Å; I431-V457 HydrophobicContact CG1-CB 4.04Å; I431-V457 HydrophobicContact CG1-CG1 3.89Å; I431-V457 WeakPolarHBondContact CG1-O 3.01Å; I431-V457 PolarHBondContact N-O 2.86Å; I431-R459 HydrophobicContact CG2-CB 4.26Å; I431-D464 WeakPolarHBondContact CD1-OD1 2.94Å |
| 432 | S | 97.5 | Very high | 92.6 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 147.7 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | D436 T456 V457 | S432-D436 CarbonylContact C-O 3.56Å; S432-D436 WeakPolarHBondContact CA-O 2.96Å; S432-D436 WeakPolarHBondContact CB-O 3.24Å; S432-D436 PolarHBondContact OG-O 2.97Å; S432-T456 CarbonylContact O-C 3.5Å; S432-T456 WeakPolarHBondContact O-CA 3.41Å; S432-V457 PolarHBondContact N-O 3.29Å; S432-V457 PolarHBondContact O-N 2.78Å |
| 433 | I | 97.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.2 | 169.3 | -64.6 | 168.7 | 0 | 0 | 0 | 108.3 | I430 G435 D436 V438 V444 A447 L454 R455 T456 | I430-I433 HydrophobicContact CG2-CD1 4.13Å; I430-I433 HydrophobicContact CG2-CG1 3.97Å; I433-G435 PolarHBondContact O-N 3.34Å; I433-D436 PolarHBondContact N-O 2.98Å; I433-D436 WeakPolarHBondContact O-CB 3.3Å; I433-D436 PolarHBondContact O-N 3.33Å; I433-V438 HydrophobicContact CB-CG2 4.34Å; I433-V438 HydrophobicContact CD1-CG2 4Å; I433-V438 HydrophobicContact CG1-CG2 3.93Å; I433-V444 HydrophobicContact CD1-CB 4.08Å; I433-V444 HydrophobicContact CD1-CG1 3.89Å; I433-V444 HydrophobicContact CD1-CG2 3.94Å; I433-A447 HydrophobicContact CB-CB 4.27Å; I433-A447 HydrophobicContact CD1-CB 3.95Å; I433-A447 HydrophobicContact CG2-CB 3.8Å; I433-L454 HydrophobicContact CG2-CB 3.97Å; I433-L454 HydrophobicContact CG2-CD2 3.89Å; I433-L454 HydrophobicContact CG2-CG 4.46Å; I433-R455 CarbonylContact C-O 3.54Å; I433-R455 WeakPolarHBondContact CA-O 3.3Å; I433-T456 HydrophobicContact CG1-CG2 4.03Å |
| 434 | N | 96.3 | Very high | 92.1 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 24.4 | 177.9 | -66.1 | -23.7 | 0 | 0 | 0 | 114.3 | D436 D451 K453 R455 | N434-D436 VanDerWaalsContact C-N 3.33Å; N434-D451 PolarHBondContact ND2-OD2 3.02Å; N434-K453 PolarHBondContact ND2-O 3.22Å; N434-K453 PolarHBondContact OD1-O 2.87Å; N434-R455 PolarHBondContact N-O 2.02Å; N434-R455 PolarHBondContact OD1-N 2.99Å |
| 435 | G | 92.8 | Very high | 91.8 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 66% | 0.66 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -12.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I433 | I433-G435 PolarHBondContact O-N 3.34Š|
| 436 | D | 95.9 | Very high | 91.6 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 133.3 | 173.3 | -64 | -29.6 | 0 | 0 | 0 | 109.4 | S432 I433 N434 R450 | S432-D436 CarbonylContact C-O 3.56Å; S432-D436 WeakPolarHBondContact CA-O 2.96Å; S432-D436 WeakPolarHBondContact CB-O 3.24Å; S432-D436 PolarHBondContact OG-O 2.97Å; I433-D436 PolarHBondContact N-O 2.98Å; I433-D436 WeakPolarHBondContact O-CB 3.3Å; I433-D436 PolarHBondContact O-N 3.33Å; N434-D436 VanDerWaalsContact C-N 3.33Å; D436-R450 IonicContact OD2-CZ 2.72Å; D436-R450 IonicContact OD2-NH1 3.59Å; D436-R450 PolarHBondContact OD2-NH1 2.04Å; D436-R450 IonicContact OD2-NH2 3.21Å; D436-R450 PolarHBondContact OD2-NH2 3.4Å |
| 437 | P | 96.4 | Very high | 91.9 | Very high | 102 Ų | 102 | 39.9 Ų | 39.9 | 66% | 0.662 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 138.1 | 173.7 | 27.8 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 438 | V | 95.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -102.7 | 122.9 | 176.1 | 169.6 | 0 | 0 | 0 | 0 | 108.5 | G407 A408 I430 I431 I433 D443 V444 | G407-V438 WeakPolarHBondContact CA-O 3.34Å; A408-V438 HydrophobicContact CB-CG1 4.06Å; I430-V438 HydrophobicContact CG2-CB 4.35Å; I430-V438 HydrophobicContact CG2-CG1 4.28Å; I430-V438 HydrophobicContact CG2-CG2 4.14Å; I430-V438 WeakPolarHBondContact O-CG1 3.32Å; I431-V438 PolarHBondContact O-N 3.2Å; I433-V438 HydrophobicContact CB-CG2 4.34Å; I433-V438 HydrophobicContact CD1-CG2 4Å; I433-V438 HydrophobicContact CG1-CG2 3.93Å; V438-D443 HydrophobicContact CG1-CB 4.3Å; V438-D443 HydrophobicContact CG2-CB 4.45Å; V438-V444 HydrophobicContact CG1-CG2 3.6Å; V438-V444 HydrophobicContact CG2-CG2 4.31Å |
| 439 | T | 90.6 | Very high | 91.8 | Very high | 85 Ų | 85 | 42.8 Ų | 42.8 | 52% | 0.521 | 26% | 0.257 | S | S | . | . | trans | -111.5 | -18.3 | 177.6 | 64.8 | 0 | 0 | 0 | 0 | 112.4 | G407 D443 | G407-T439 PolarHBondContact N-O 3.3Å; T439-D443 PolarHBondContact N-OD2 2.77Å; T439-D443 PolarHBondContact OG1-OD2 2.84Å | ||
| 440 | S | 86.8 | Confident | 91.6 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -147.4 | 162 | -175.2 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | S385 T442 D443 | S385-S440 WeakPolarHBondContact OG-CA 3.12Å; S385-S440 WeakPolarHBondContact OG-CB 2.94Å; S440-T442 PolarHBondContact O-N 2.79Å; S440-T442 PolarHBondContact OG-N 2.97Å; S440-D443 PolarHBondContact N-OD2 2.96Å; S440-D443 WeakPolarHBondContact O-CB 3.04Å; S440-D443 PolarHBondContact O-N 2.77Å; S440-D443 VanDerWaalsContact OG-CG 3.22Å; S440-D443 PolarHBondContact OG-N 3.14Å; S440-D443 PolarHBondContact OG-OD1 2.98Å; S440-D443 PolarHBondContact OG-OD2 2.04Å |
| 441 | A | 81 | Confident | 91.3 | Very high | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -23.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M383 S385 A408 S445 | M383-A441 HydrophobicContact CB-CB 4.38Å; M383-A441 HydrophobicContact CE-CB 4.43Å; M383-A441 VanDerWaalsContact CE-O 3.32Å; M383-A441 WeakPolarHBondContact CE-O 3.31Å; M383-A441 HydrophobicContact CG-CB 3.81Å; M383-A441 HydrophobicContact SD-CB 3.87Å; S385-A441 PolarHBondContact OG-N 3.02Å; A408-A441 HydrophobicContact CB-CB 4.45Å; A441-S445 PolarHBondContact O-N 3.38Å; A441-S445 VanDerWaalsContact O-N 3.1Å; A441-S445 PolarHBondContact O-OG 2.99Å |
| 442 | T | 85.5 | Confident | 91 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 175.4 | -50.3 | 0 | 0 | 0 | 0 | 111 | S440 V444 S445 N446 | S440-T442 PolarHBondContact O-N 2.79Å; S440-T442 PolarHBondContact OG-N 2.97Å; T442-V444 VanDerWaalsContact C-N 3.31Å; T442-V444 PolarHBondContact O-N 2.02Å; T442-S445 WeakPolarHBondContact O-CB 3.47Å; T442-S445 PolarHBondContact O-N 3.07Å; T442-S445 VanDerWaalsContact O-N 3.17Å; T442-N446 VanDerWaalsContact O-CG 3.27Å; T442-N446 PolarHBondContact O-N 3.47Å; T442-N446 PolarHBondContact O-ND2 3.24Å |
| 443 | D | 87.8 | Confident | 90.9 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 179.4 | -54.4 | -26.2 | 0 | 0 | 0 | 110.5 | V438 T439 S440 N446 A447 | V438-D443 HydrophobicContact CG1-CB 4.3Å; V438-D443 HydrophobicContact CG2-CB 4.45Å; T439-D443 PolarHBondContact N-OD2 2.77Å; T439-D443 PolarHBondContact OG1-OD2 2.84Å; S440-D443 PolarHBondContact N-OD2 2.96Å; S440-D443 WeakPolarHBondContact O-CB 3.04Å; S440-D443 PolarHBondContact O-N 2.77Å; S440-D443 VanDerWaalsContact OG-CG 3.22Å; S440-D443 PolarHBondContact OG-N 3.14Å; S440-D443 PolarHBondContact OG-OD1 2.98Å; S440-D443 PolarHBondContact OG-OD2 2.04Å; D443-N446 PolarHBondContact O-N 2.8Å; D443-A447 PolarHBondContact O-N 3.2Å |
| 444 | V | 90.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 111 | M383 A408 I430 I433 V438 T442 N446 A447 I448 | M383-V444 HydrophobicContact CE-CB 3.9Å; M383-V444 HydrophobicContact CE-CG1 3.86Å; M383-V444 HydrophobicContact SD-CB 3.64Å; M383-V444 HydrophobicContact SD-CG1 3.66Å; M383-V444 HydrophobicContact SD-CG2 4.09Å; A408-V444 HydrophobicContact CB-CG2 3.59Å; I430-V444 HydrophobicContact CB-CG2 4.41Å; I430-V444 HydrophobicContact CD1-CG1 4.12Å; I430-V444 HydrophobicContact CD1-CG2 4.11Å; I430-V444 HydrophobicContact CG2-CG2 4.17Å; I433-V444 HydrophobicContact CD1-CB 4.08Å; I433-V444 HydrophobicContact CD1-CG1 3.89Å; I433-V444 HydrophobicContact CD1-CG2 3.94Å; V438-V444 HydrophobicContact CG1-CG2 3.6Å; V438-V444 HydrophobicContact CG2-CG2 4.31Å; T442-V444 VanDerWaalsContact C-N 3.31Å; T442-V444 PolarHBondContact O-N 2.02Å; V444-N446 VanDerWaalsContact C-N 3.26Å; V444-N446 PolarHBondContact O-N 3.19Å; V444-A447 PolarHBondContact O-N 3.19Å; V444-I448 HydrophobicContact CG1-CD1 3.96Å; V444-I448 WeakPolarHBondContact O-CD1 3.4Å; V444-I448 VanDerWaalsContact O-CG1 3.28Å; V444-I448 WeakPolarHBondContact O-CG1 3.33Å; V444-I448 PolarHBondContact O-N 3.06Å |
| 445 | S | 86.1 | Confident | 90.9 | Very high | 44 Ų | 44 | 63.8 Ų | 63.8 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | M383 A441 T442 K449 | M383-S445 VanDerWaalsContact CE-OG 3.23Å; M383-S445 WeakPolarHBondContact CE-OG 3.33Å; A441-S445 PolarHBondContact O-N 3.38Å; A441-S445 VanDerWaalsContact O-N 3.1Å; A441-S445 PolarHBondContact O-OG 2.99Å; T442-S445 WeakPolarHBondContact O-CB 3.47Å; T442-S445 PolarHBondContact O-N 3.07Å; T442-S445 VanDerWaalsContact O-N 3.17Å; S445-K449 WeakPolarHBondContact O-CG 3.41Å; S445-K449 PolarHBondContact O-N 2.82Å |
| 446 | N | 88.6 | Confident | 91.2 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 176.9 | -70.1 | -21.6 | 0 | 0 | 0 | 111.7 | T442 D443 V444 I448 K449 R450 | T442-N446 VanDerWaalsContact O-CG 3.27Å; T442-N446 PolarHBondContact O-N 3.47Å; T442-N446 PolarHBondContact O-ND2 3.24Å; D443-N446 PolarHBondContact O-N 2.8Å; V444-N446 VanDerWaalsContact C-N 3.26Å; V444-N446 PolarHBondContact O-N 3.19Å; N446-I448 VanDerWaalsContact C-N 3.34Å; N446-I448 PolarHBondContact O-N 2.74Å; N446-K449 PolarHBondContact O-N 3.12Å; N446-R450 WeakPolarHBondContact O-CB 3.39Å; N446-R450 PolarHBondContact O-N 2.84Å |
| 447 | A | 91.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I433 D443 V444 K449 R450 D451 L454 | I433-A447 HydrophobicContact CB-CB 4.27Å; I433-A447 HydrophobicContact CD1-CB 3.95Å; I433-A447 HydrophobicContact CG2-CB 3.8Å; D443-A447 PolarHBondContact O-N 3.2Å; V444-A447 PolarHBondContact O-N 3.19Å; A447-K449 VanDerWaalsContact C-N 3.29Å; A447-K449 PolarHBondContact O-N 2.88Å; A447-R450 PolarHBondContact O-N 2.89Å; A447-D451 PolarHBondContact O-N 3.24Å; A447-L454 HydrophobicContact CB-CD2 4.19Å; A447-L454 WeakPolarHBondContact O-CD2 3.04Å |
| 448 | I | 91.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 53.8 Ų | 53.8 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 175.3 | -67.1 | 159.7 | 0 | 0 | 0 | 111.6 | K377 I379 V444 N446 L454 P471 | K377-I448 HydrophobicContact CB-CG2 3.85Å; K377-I448 VanDerWaalsContact CB-O 3.31Å; K377-I448 WeakPolarHBondContact CB-O 3.32Å; K377-I448 WeakPolarHBondContact CD-O 3.28Å; K377-I448 WeakPolarHBondContact O-CG2 3.22Å; I379-I448 HydrophobicContact CD1-CD1 3.62Å; I379-I448 HydrophobicContact CD1-CG1 4.08Å; I379-I448 HydrophobicContact CG1-CD1 3.72Å; I379-I448 HydrophobicContact CG1-CG1 4.31Å; I379-I448 HydrophobicContact CG2-CD1 4.44Å; I379-I448 HydrophobicContact CG2-CG1 4.14Å; I379-I448 HydrophobicContact CG2-CG2 4.41Å; V444-I448 HydrophobicContact CG1-CD1 3.96Å; V444-I448 WeakPolarHBondContact O-CD1 3.4Å; V444-I448 VanDerWaalsContact O-CG1 3.28Å; V444-I448 WeakPolarHBondContact O-CG1 3.33Å; V444-I448 PolarHBondContact O-N 3.06Å; N446-I448 VanDerWaalsContact C-N 3.34Å; N446-I448 PolarHBondContact O-N 2.74Å; I448-L454 HydrophobicContact CB-CD1 4.44Å; I448-L454 HydrophobicContact CG1-CD1 3.62Å; I448-P471 HydrophobicContact CG2-CB 4.28Å; I448-P471 HydrophobicContact CG2-CG 4.41Å |
| 449 | K | 86.8 | Confident | 91.3 | Very high | 152 Ų | 152 | 56.6 Ų | 56.6 | 66% | 0.661 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.9 | -39.2 | 178.9 | -70.7 | 172.9 | -176.2 | 176.3 | 0 | 112.1 | S445 N446 A447 | S445-K449 WeakPolarHBondContact O-CG 3.41Å; S445-K449 PolarHBondContact O-N 2.82Å; N446-K449 PolarHBondContact O-N 3.12Å; A447-K449 VanDerWaalsContact C-N 3.29Å; A447-K449 PolarHBondContact O-N 2.88Å |
| 450 | R | 90.1 | Very high | 91.4 | Very high | 139 Ų | 139 | 55.8 Ų | 55.8 | 53% | 0.525 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -77.8 | -46.9 | -172.2 | -172.8 | -176.2 | 65 | -159.2 | -0.1 | 112.4 | D436 N446 A447 | D436-R450 IonicContact OD2-CZ 2.72Å; D436-R450 IonicContact OD2-NH1 3.59Å; D436-R450 PolarHBondContact OD2-NH1 2.04Å; D436-R450 IonicContact OD2-NH2 3.21Å; D436-R450 PolarHBondContact OD2-NH2 3.4Å; N446-R450 WeakPolarHBondContact O-CB 3.39Å; N446-R450 PolarHBondContact O-N 2.84Å; A447-R450 PolarHBondContact O-N 2.89Å |
| 451 | D | 91.3 | Very high | 91.5 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | trans | -107.4 | 148.7 | -164.8 | -56.3 | -36.5 | 0 | 0 | 0 | 111.3 | K377 N434 A447 L454 | K377-D451 PolarHBondContact NZ-O 3.4Å; K377-D451 VanDerWaalsContact NZ-O 3.14Å; N434-D451 PolarHBondContact ND2-OD2 3.02Å; A447-D451 PolarHBondContact O-N 3.24Å; D451-L454 HydrophobicContact CB-CD2 3.79Å | ||
| 452 | D | 92 | Very high | 91.7 | Very high | 112 Ų | 112 | 61.8 Ų | 61.8 | 60% | 0.599 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -88.2 | -11.8 | 174.8 | -63.7 | -46.5 | 0 | 0 | 0 | 112.7 | K377 P471 | K377-D452 WeakPolarHBondContact CE-OD1 3.45Å; K377-D452 IonicContact NZ-OD1 3.88Å; K377-D452 PolarHBondContact NZ-OD1 3.2Å; D452-P471 VanDerWaalsContact O-CD 3.32Å; D452-P471 WeakPolarHBondContact O-CD 3.37Å |
| 453 | K | 95.4 | Very high | 92.1 | Very high | 127 Ų | 127 | 65.6 Ų | 65.6 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -145.6 | 127 | -178.1 | -172.5 | 178.4 | -176.2 | 178.6 | 0 | 108.6 | N434 T468 | N434-K453 PolarHBondContact ND2-O 3.22Å; N434-K453 PolarHBondContact OD1-O 2.87Å; K453-T468 HydrophobicContact CD-CG2 4.18Å; K453-T468 HydrophobicContact CG-CG2 3.89Å |
| 454 | L | 96.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 101.3 | -177.5 | -50 | 177.4 | 0 | 0 | 0 | 108.8 | I379 I433 A447 I448 D451 T456 T468 I469 P471 | I379-L454 HydrophobicContact CG2-CD1 4.18Å; I433-L454 HydrophobicContact CG2-CB 3.97Å; I433-L454 HydrophobicContact CG2-CD2 3.89Å; I433-L454 HydrophobicContact CG2-CG 4.46Å; A447-L454 HydrophobicContact CB-CD2 4.19Å; A447-L454 WeakPolarHBondContact O-CD2 3.04Å; I448-L454 HydrophobicContact CB-CD1 4.44Å; I448-L454 HydrophobicContact CG1-CD1 3.62Å; D451-L454 HydrophobicContact CB-CD2 3.79Å; L454-T456 PolarHBondContact O-N 3.02Å; L454-T456 VanDerWaalsContact O-N 3.12Å; L454-T456 PolarHBondContact O-OG1 3.35Å; L454-T468 WeakPolarHBondContact O-CA 3.41Å; L454-I469 HydrophobicContact CB-CB 4.28Å; L454-I469 PolarHBondContact N-O 3.43Å; L454-I469 PolarHBondContact O-N 2.92Å; L454-P471 HydrophobicContact CD1-CG 3.84Å; L454-P471 HydrophobicContact CG-CG 3.98Å |
| 455 | R | 97.6 | Very high | 92.8 | Very high | 147 Ų | 147 | 68.7 Ų | 68.7 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 92.9 | 166.2 | -174.7 | 178.9 | 173.5 | -179.7 | -2 | 107.8 | I433 N434 I466 L467 | I433-R455 CarbonylContact C-O 3.54Å; I433-R455 WeakPolarHBondContact CA-O 3.3Å; N434-R455 PolarHBondContact N-O 2.02Å; N434-R455 PolarHBondContact OD1-N 2.99Å; R455-I466 HydrophobicContact CG-CG2 3.77Å; R455-L467 CarbonylContact C-O 3.12Å |
| 456 | T | 97.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.7 | -170.2 | -51.8 | 0 | 0 | 0 | 0 | 109.5 | I430 S432 I433 L454 V458 I466 L467 | I430-T456 HydrophobicContact CB-CG2 4.41Å; I430-T456 HydrophobicContact CD1-CG2 4.47Å; I430-T456 HydrophobicContact CG1-CG2 4.11Å; I430-T456 HydrophobicContact CG2-CG2 3.56Å; S432-T456 CarbonylContact O-C 3.5Å; S432-T456 WeakPolarHBondContact O-CA 3.41Å; I433-T456 HydrophobicContact CG1-CG2 4.03Å; L454-T456 PolarHBondContact O-N 3.02Å; L454-T456 VanDerWaalsContact O-N 3.12Å; L454-T456 PolarHBondContact O-OG1 3.35Å; T456-V458 HydrophobicContact CG2-CG1 3.83Å; T456-I466 CarbonylContact O-C 3.47Å; T456-I466 WeakPolarHBondContact O-CA 2.97Å; T456-L467 PolarHBondContact N-O 3.35Å; T456-L467 PolarHBondContact O-N 3.12Å |
| 457 | V | 97.9 | Very high | 93.7 | Very high | 31 Ų | 31 | 67.8 Ų | 67.8 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.4 | 170.3 | -171 | 0 | 0 | 0 | 0 | 107.7 | I431 S432 D464 I466 | I431-V457 HydrophobicContact CD1-CG1 3.9Å; I431-V457 HydrophobicContact CG1-CB 4.04Å; I431-V457 HydrophobicContact CG1-CG1 3.89Å; I431-V457 WeakPolarHBondContact CG1-O 3.01Å; I431-V457 PolarHBondContact N-O 2.86Å; S432-V457 PolarHBondContact N-O 3.29Å; S432-V457 PolarHBondContact O-N 2.78Å; V457-D464 HydrophobicContact CG1-CB 4.22Å; V457-I466 HydrophobicContact CG2-CG1 4.36Å |
| 458 | V | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.6 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | L424 D428 V429 I430 T456 D464 V465 L467 | L424-V458 HydrophobicContact CD1-CG1 3.71Å; D428-V458 HydrophobicContact CB-CB 4.12Å; D428-V458 HydrophobicContact CB-CG1 4.5Å; D428-V458 HydrophobicContact CB-CG2 4.33Å; V429-V458 CarbonylContact O-C 3.56Å; V429-V458 VanDerWaalsContact O-CA 3.27Å; V429-V458 WeakPolarHBondContact O-CA 3.32Å; I430-V458 HydrophobicContact CB-CG1 4.49Å; I430-V458 HydrophobicContact CG1-CG1 3.89Å; T456-V458 HydrophobicContact CG2-CG1 3.83Å; V458-D464 WeakPolarHBondContact O-CA 3.34Å; V458-V465 HydrophobicContact CG2-CB 3.94Å; V458-V465 PolarHBondContact N-O 2.63Å; V458-V465 PolarHBondContact O-N 2.81Å; V458-L467 HydrophobicContact CG1-CD1 4.27Å; V458-L467 HydrophobicContact CG2-CD1 3.98Å; V458-L467 HydrophobicContact CG2-CG 4.3Å |
| 459 | R | 95.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117 | 169.5 | -176.1 | 72.9 | 64.8 | -174.8 | -15.7 | 108.3 | P402 V429 I431 G461 E463 D464 | P402-R459 HydrophobicContact CB-CB 4.47Å; P402-R459 HydrophobicContact CB-CG 3.25Å; P402-R459 HydrophobicContact CG-CB 4.35Å; P402-R459 HydrophobicContact CG-CG 3.53Å; V429-R459 HydrophobicContact CB-CB 4.35Å; V429-R459 PolarHBondContact N-O 2.97Å; V429-R459 PolarHBondContact O-N 2.9Å; I431-R459 HydrophobicContact CG2-CB 4.26Å; R459-G461 WeakPolarHBondContact CD-O 3.43Å; R459-E463 WeakPolarHBondContact CA-O 3.35Å; R459-D464 WeakPolarHBondContact CD-OD1 3.26Å; R459-D464 IonicContact CZ-OD1 3.3Å; R459-D464 IonicContact CZ-OD2 3.62Å; R459-D464 IonicContact NE-OD1 2.77Å; R459-D464 PolarHBondContact NE-OD1 2.03Å; R459-D464 IonicContact NH1-OD1 3.95Å; R459-D464 PolarHBondContact NH1-OD1 3.42Å; R459-D464 IonicContact NH1-OD2 3.71Å; R459-D464 PolarHBondContact NH1-OD2 3.18Å; R459-D464 IonicContact NH2-OD1 2.93Å; R459-D464 PolarHBondContact NH2-OD1 2.95Å; R459-D464 IonicContact NH2-OD2 2.76Å; R459-D464 PolarHBondContact NH2-OD2 2.93Å |
| 460 | R | 93.2 | Very high | 94.7 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 103.9 | 178.3 | -177.3 | -179.9 | -66.6 | 161.2 | 0.2 | 108.6 | G423 D428 N462 E463 V465 | G423-R460 PolarHBondContact O-NH2 3.48Å; D428-R460 WeakPolarHBondContact OD1-CB 3.36Å; D428-R460 WeakPolarHBondContact OD1-CG 3.46Å; D428-R460 IonicContact OD1-CZ 2.78Å; D428-R460 IonicContact OD1-NE 2.76Å; D428-R460 PolarHBondContact OD1-NE 2.87Å; D428-R460 IonicContact OD1-NH2 3.91Å; D428-R460 PolarHBondContact OD1-NH2 2.98Å; D428-R460 IonicContact OD2-CZ 2.73Å; D428-R460 IonicContact OD2-NE 3.72Å; D428-R460 IonicContact OD2-NH2 3Å; D428-R460 PolarHBondContact OD2-NH2 2.86Å; R460-N462 PolarHBondContact O-N 2.94Å; R460-E463 PolarHBondContact N-O 3.44Å; R460-E463 PolarHBondContact O-N 3.25Å; R460-E463 VanDerWaalsContact O-N 3.14Å; R460-V465 HydrophobicContact CB-CG2 4.29Å |
| 461 | G | 88.1 | Confident | 94.7 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -126.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D400 P402 R459 | D400-G461 WeakPolarHBondContact O-CA 3.05Å; P402-G461 WeakPolarHBondContact CB-O 3Å; R459-G461 WeakPolarHBondContact CD-O 3.43Å |
| 462 | N | 85.6 | Confident | 94.4 | Very high | 137 Ų | 137 | 65.3 Ų | 65.3 | 73% | 0.733 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 1.6 | 179.6 | -68.8 | -20.2 | 0 | 0 | 0 | 114.4 | R460 | R460-N462 PolarHBondContact O-N 2.94Š|
| 463 | E | 93.1 | Very high | 93.9 | Very high | 138 Ų | 138 | 65.3 Ų | 65.3 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 146.3 | -175.5 | -63.9 | -177.9 | 175.6 | 0 | 0 | 112 | R459 R460 | R459-E463 WeakPolarHBondContact CA-O 3.35Å; R460-E463 PolarHBondContact N-O 3.44Å; R460-E463 PolarHBondContact O-N 3.25Å; R460-E463 VanDerWaalsContact O-N 3.14Å |
| 464 | D | 95.8 | Very high | 92.4 | Very high | 81 Ų | 81 | 61.3 Ų | 61.3 | 43% | 0.433 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.9 | 167.6 | -75.1 | -33.5 | 0 | 0 | 0 | 109.5 | I431 V457 V458 R459 | I431-D464 WeakPolarHBondContact CD1-OD1 2.94Å; V457-D464 HydrophobicContact CG1-CB 4.22Å; V458-D464 WeakPolarHBondContact O-CA 3.34Å; R459-D464 WeakPolarHBondContact CD-OD1 3.26Å; R459-D464 IonicContact CZ-OD1 3.3Å; R459-D464 IonicContact CZ-OD2 3.62Å; R459-D464 IonicContact NE-OD1 2.77Å; R459-D464 PolarHBondContact NE-OD1 2.03Å; R459-D464 IonicContact NH1-OD1 3.95Å; R459-D464 PolarHBondContact NH1-OD1 3.42Å; R459-D464 IonicContact NH1-OD2 3.71Å; R459-D464 PolarHBondContact NH1-OD2 3.18Å; R459-D464 IonicContact NH2-OD1 2.93Å; R459-D464 PolarHBondContact NH2-OD1 2.95Å; R459-D464 IonicContact NH2-OD2 2.76Å; R459-D464 PolarHBondContact NH2-OD2 2.93Å |
| 465 | V | 96.9 | Very high | 90.4 | Very high | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.2 | 179.6 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V458 R460 L467 | V458-V465 HydrophobicContact CG2-CB 3.94Å; V458-V465 PolarHBondContact N-O 2.63Å; V458-V465 PolarHBondContact O-N 2.81Å; R460-V465 HydrophobicContact CB-CG2 4.29Å; V465-L467 HydrophobicContact CG1-CD2 3.63Å; V465-L467 HydrophobicContact CG1-CG 4.33Å |
| 466 | I | 97.4 | Very high | 88.2 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119 | 176.4 | -54.3 | -179.6 | 0 | 0 | 0 | 108.6 | R455 T456 V457 | R455-I466 HydrophobicContact CG-CG2 3.77Å; T456-I466 CarbonylContact O-C 3.47Å; T456-I466 WeakPolarHBondContact O-CA 2.97Å; V457-I466 HydrophobicContact CG2-CG1 4.36Å |
| 467 | L | 97.3 | Very high | 87.7 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.3 | 177.5 | -51.9 | 179.9 | 0 | 0 | 0 | 109.6 | A422 L424 R455 T456 V458 V465 I469 | A422-L467 WeakPolarHBondContact O-CD2 3.01Å; L424-L467 HydrophobicContact CB-CD1 4.04Å; L424-L467 HydrophobicContact CD1-CD1 3.73Å; R455-L467 CarbonylContact C-O 3.12Å; T456-L467 PolarHBondContact N-O 3.35Å; T456-L467 PolarHBondContact O-N 3.12Å; V458-L467 HydrophobicContact CG1-CD1 4.27Å; V458-L467 HydrophobicContact CG2-CD1 3.98Å; V458-L467 HydrophobicContact CG2-CG 4.3Å; V465-L467 HydrophobicContact CG1-CD2 3.63Å; V465-L467 HydrophobicContact CG1-CG 4.33Å; L467-I469 HydrophobicContact CB-CG1 4.47Å |
| 468 | T | 97.3 | Very high | 87.2 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 108.9 | 172 | -64 | 0 | 0 | 0 | 0 | 108.2 | A422 K453 L454 | A422-T468 WeakPolarHBondContact CB-O 3.33Å; K453-T468 HydrophobicContact CD-CG2 4.18Å; K453-T468 HydrophobicContact CG-CG2 3.89Å; L454-T468 WeakPolarHBondContact O-CA 3.41Å |
| 469 | I | 96.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.1 | -179.1 | -44.7 | -179 | 0 | 0 | 0 | 108 | I379 P418 A422 L454 L467 | I379-I469 HydrophobicContact CB-CG2 3.96Å; I379-I469 HydrophobicContact CD1-CD1 4.41Å; I379-I469 HydrophobicContact CG2-CG2 3.7Å; P418-I469 HydrophobicContact CB-CG2 3.92Å; A422-I469 HydrophobicContact CB-CB 4.22Å; A422-I469 HydrophobicContact CB-CG1 3.66Å; A422-I469 HydrophobicContact CB-CG2 4.41Å; L454-I469 HydrophobicContact CB-CB 4.28Å; L454-I469 PolarHBondContact N-O 3.43Å; L454-I469 PolarHBondContact O-N 2.92Å; L467-I469 HydrophobicContact CB-CG1 4.47Å |
| 470 | I | 95.3 | Very high | 86.1 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 56% | 0.564 | 39% | 0.385 | S | S | * | . | trans | -105.9 | 106.2 | 175.8 | -59.8 | 177.1 | 0 | 0 | 0 | 106.9 | P418 E472 | P418-I470 WeakPolarHBondContact CB-O 3.48Å; P418-I470 WeakPolarHBondContact CG-O 3.28Å; I470-E472 PolarHBondContact O-N 2.99Å | ||
| 471 | P | 90.9 | Very high | 85.7 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | trans | -58.1 | 136.3 | 177.9 | -22.6 | 34.6 | 0 | 0 | 0 | 111.6 | K377 I379 I448 D452 L454 | K377-P471 HydrophobicContact CB-CB 3.86Å; K377-P471 HydrophobicContact CD-CB 4.42Å; K377-P471 HydrophobicContact CG-CB 4.31Å; I379-P471 HydrophobicContact CG2-CB 3.88Å; I379-P471 HydrophobicContact CG2-CG 3.85Å; I448-P471 HydrophobicContact CG2-CB 4.28Å; I448-P471 HydrophobicContact CG2-CG 4.41Å; D452-P471 VanDerWaalsContact O-CD 3.32Å; D452-P471 WeakPolarHBondContact O-CD 3.37Å; L454-P471 HydrophobicContact CD1-CG 3.84Å; L454-P471 HydrophobicContact CG-CG 3.98Å | ||
| 472 | E | 85 | Confident | 85.5 | Confident | 103 Ų | 103 | 76.4 Ų | 76.4 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134 | 171.3 | -83.8 | 171.8 | -166.6 | 0 | 0 | 109.1 | K377 Y378 P418 I470 I474 | K377-E472 CarbonylContact C-O 3.43Å; K377-E472 WeakPolarHBondContact CA-O 3.48Å; Y378-E472 PolarHBondContact N-O 3.2Å; Y378-E472 PolarHBondContact O-N 3.15Å; P418-E472 HydrophobicContact CG-CB 3.95Å; P418-E472 HydrophobicContact CG-CG 3.56Å; I470-E472 PolarHBondContact O-N 2.99Å; E472-I474 PolarHBondContact O-N 3.3Å |
| 473 | E | 81.4 | Confident | 85.5 | Confident | 112 Ų | 112 | 72.1 Ų | 72.1 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 113.6 | 165.7 | -73.3 | -172 | 169.8 | 0 | 0 | 108.7 | K375 K377 | K375-E473 HydrophobicContact CB-CB 3.99Å; K375-E473 HydrophobicContact CB-CG 4.27Å; K375-E473 HydrophobicContact CD-CB 4Å; K375-E473 HydrophobicContact CD-CG 4.48Å; K375-E473 WeakPolarHBondContact CD-OE2 3.41Å; K375-E473 IonicContact NZ-OE2 3.46Å; K375-E473 PolarHBondContact NZ-OE2 3.21Å; K377-E473 HydrophobicContact CG-CG 4.39Å |
| 474 | I | 64.9 | Low | 84.9 | Confident | 43 Ų | 43 | 67 Ų | 67 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.5 | 170.5 | 50 | 166.9 | 0 | 0 | 0 | 109 | K375 K376 Y378 E472 | K375-I474 WeakPolarHBondContact CA-O 3.37Å; K376-I474 HydrophobicContact CB-CD1 4.46Å; K376-I474 HydrophobicContact CB-CG1 4.12Å; K376-I474 PolarHBondContact N-O 3.28Å; K376-I474 WeakPolarHBondContact O-CG1 3.46Å; K376-I474 PolarHBondContact O-N 3.36Å; Y378-I474 HydrophobicContact CG-CD1 4.3Å; E472-I474 PolarHBondContact O-N 3.3Å |
| 475 | D | 54.8 | Low | 84 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | trans | -55.5 | 138 | 158.9 | -73.3 | -27.9 | 0 | 0 | 0 | 107.8 | K221 K375 | K221-D475 PolarHBondContact NZ-O 3.43Å; K375-D475 WeakPolarHBondContact CE-OD1 3.04Å | ||
| 476 | P | 50.7 | Low | 82.8 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | trans | -48.5 | 0 | -175.9 | -17.7 | 20.9 | 0 | 0 | 0 | 113.9 | L373 | L373-P476 HydrophobicContact CB-CB 3.86Å; L373-P476 HydrophobicContact CB-CG 3.32Å; L373-P476 HydrophobicContact CD1-CB 3.59Å; L373-P476 HydrophobicContact CD1-CG 3.99Å; L373-P476 HydrophobicContact CG-CB 4.38Å; L373-P476 HydrophobicContact CG-CG 4.29Å |
Retrieved 476 of 476 residues in 122.5 ms
(Link to these results)