| 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 | 34.8 | Very low | 31 | Very low | 238 Ų | 238 | 133.8 Ų | 133.8 | 100% | 1.172 | 81% | 0.807 | S | S | * | * | 0 | 89.6 | 0 | -79.2 | 167 | 150.2 | 0 | 0 | 106.9 | |||||
| 2 | N | 33.8 | Very low | 30.4 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -94.8 | 106.9 | -177.9 | -71.6 | -6.1 | 0 | 0 | 0 | 108.3 | ||||
| 3 | S | 36.4 | Very low | 30.1 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -79.4 | 125.5 | 172.3 | -161.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | L | 29.5 | Very low | 30 | Very low | 151 Ų | 151 | 137 Ų | 137 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -91.6 | 140.9 | 178.4 | -82.4 | 157.3 | 0 | 0 | 0 | 110.1 | ||||
| 5 | L | 29.7 | Very low | 30 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 78.6 | 159.2 | 161.4 | -58.6 | 169.9 | 0 | 0 | 0 | 118.1 | ||||
| 6 | P | 36.8 | Very low | 30 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -124.3 | 175.7 | -0.8 | 22.8 | 2.1 | 0 | 0 | 0 | 112.4 | ||||
| 7 | V | 26.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 70% | 0.697 | 79% | 0.792 | S | S | * | * | 173.2 | 137.7 | 88.2 | 161.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 8 | T | 27.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | 58.6 | 99 | 157.9 | 62.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 9 | S | 29 | Very low | 29.4 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -95.2 | 99.3 | 144.3 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | G11 | S9-G11 PolarHBondContact O-N 2.94Å; S9-G11 PolarHBondContact OG-N 3.01Å | ||
| 10 | S | 29.7 | Very low | 29.4 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -82.8 | 71 | 153.8 | 47.5 | 0 | 0 | 0 | 0 | 107.3 | E12 | S10-E12 PolarHBondContact O-N 3.46Š| ||
| 11 | G | 27.7 | Very low | 29.2 | Very low | 48 Ų | 48 | 132.4 Ų | 132.4 | 50% | 0.495 | 77% | 0.769 | S | S | . | * | trans | -89.2 | 91.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.7 | S9 I13 | S9-G11 PolarHBondContact O-N 2.94Å; S9-G11 PolarHBondContact OG-N 3.01Å; G11-I13 PolarHBondContact O-N 3.45Å | ||
| 12 | E | 23.7 | Very low | 29 | Very low | 178 Ų | 178 | 125.5 Ų | 125.5 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -61.5 | 94.3 | 157.9 | -171.9 | 173.5 | -171 | 0 | 0 | 106.2 | S10 T14 | S10-E12 PolarHBondContact O-N 3.46Å; E12-T14 PolarHBondContact O-N 2.86Å | ||
| 13 | I | 26.8 | Very low | 28.5 | Very low | 153 Ų | 153 | 123 Ų | 123 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -69.9 | 95 | 169.5 | -59.9 | 179.2 | 0 | 0 | 0 | 104.5 | G11 G15 | G11-I13 PolarHBondContact O-N 3.45Å; I13-G15 PolarHBondContact O-N 3.27Å | ||
| 14 | T | 29.1 | Very low | 28.2 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -53.2 | 101 | 157.8 | 43.5 | 0 | 0 | 0 | 0 | 105.2 | E12 N16 | E12-T14 PolarHBondContact O-N 2.86Å; T14-N16 PolarHBondContact O-N 3.19Å | ||
| 15 | G | 29.5 | Very low | 28.1 | Very low | 59 Ų | 59 | 120.7 Ų | 120.7 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | trans | -48.7 | 123.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | I13 E17 | I13-G15 PolarHBondContact O-N 3.27Å; G15-E17 PolarHBondContact O-N 2.85Å | ||
| 16 | N | 29.5 | Very low | 27.9 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | trans | -30.8 | 114.7 | 179.8 | -68.5 | -36.6 | 0 | 0 | 0 | 108.4 | T14 I18 | T14-N16 PolarHBondContact O-N 3.19Å; N16-I18 PolarHBondContact O-N 2.84Å | ||
| 17 | E | 25.3 | Very low | 27.8 | Very low | 188 Ų | 188 | 121 Ų | 121 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | trans | -53.4 | 96.8 | 166.8 | -70.8 | 179.4 | 160.9 | 0 | 0 | 104.9 | G15 P19 | G15-E17 PolarHBondContact O-N 2.85Å; E17-P19 VanDerWaalsContact O-CD 3.27Å; E17-P19 WeakPolarHBondContact O-CD 3.29Å; E17-P19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | I | 28.9 | Very low | 27.9 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | trans | -61.8 | 115.4 | 168.7 | -60.5 | 175.2 | 0 | 0 | 0 | 101.7 | N16 D20 | N16-I18 PolarHBondContact O-N 2.84Å; I18-D20 PolarHBondContact O-N 2.95Å; I18-D20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | P | 24.8 | Very low | 28.3 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 58% | 0.578 | 69% | 0.69 | S | S | * | * | trans | -51.5 | 126 | -172 | 15.8 | -28.3 | 0 | 0 | 0 | 108.6 | E17 T21 | E17-P19 VanDerWaalsContact O-CD 3.27Å; E17-P19 WeakPolarHBondContact O-CD 3.29Å; E17-P19 VanDerWaalsContact O-N 3.08Å; P19-T21 CarbonylContact O-C 3.59Å; P19-T21 PolarHBondContact O-N 2.98Å | ||
| 20 | D | 30.5 | Very low | 28.7 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -57.3 | -7.4 | -179.7 | -80.2 | -37.6 | 0 | 0 | 0 | 112.3 | I18 | I18-D20 PolarHBondContact O-N 2.95Å; I18-D20 VanDerWaalsContact O-N 3.09Å |
| 21 | T | 23.8 | Very low | 29.2 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | trans | -123.2 | 94.9 | 174.7 | 34.1 | 0 | 0 | 0 | 0 | 110.7 | P19 P23 | P19-T21 CarbonylContact O-C 3.59Å; P19-T21 PolarHBondContact O-N 2.98Å; T21-P23 WeakPolarHBondContact O-CD 3.27Å | ||
| 22 | V | 30.7 | Very low | 29.9 | Very low | 93 Ų | 93 | 117 Ų | 117 | 56% | 0.564 | 64% | 0.637 | S | S | * | * | trans | -70.1 | 121.9 | 150 | -179.5 | 0 | 0 | 0 | 0 | 106 | D24 V25 | V22-D24 PolarHBondContact O-N 3.19Å; V22-V25 HydrophobicContact CB-CG2 3.82Å; V22-V25 HydrophobicContact CG1-CG2 4.04Å; V22-V25 PolarHBondContact O-N 3.39Å | ||
| 23 | P | 24.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 71% | 0.714 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 139.8 | 177.6 | -22 | 31.8 | 0 | 0 | 0 | 110.5 | T21 | T21-P23 WeakPolarHBondContact O-CD 3.27Š|
| 24 | D | 28.5 | Very low | 31.2 | Very low | 164 Ų | 164 | 104.7 Ų | 104.7 | 88% | 0.877 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.6 | 11.3 | -178 | -59.6 | -32.1 | 0 | 0 | 0 | 118.6 | V22 Y26 | V22-D24 PolarHBondContact O-N 3.19Å; D24-Y26 PolarHBondContact O-N 2.68Å |
| 25 | V | 27.4 | Very low | 31.4 | Very low | 68 Ų | 68 | 103.5 Ų | 103.5 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | trans | -92.8 | 85.6 | 176.1 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | V22 L108 | V22-V25 HydrophobicContact CB-CG2 3.82Å; V22-V25 HydrophobicContact CG1-CG2 4.04Å; V22-V25 PolarHBondContact O-N 3.39Å; V25-L108 HydrophobicContact CB-CD1 4.42Å; V25-L108 HydrophobicContact CG1-CD1 3.91Å; V25-L108 HydrophobicContact CG2-CD1 3.74Å | ||
| 26 | Y | 27.1 | Very low | 31.5 | Very low | 231 Ų | 231 | 106.7 Ų | 106.7 | 91% | 0.906 | 59% | 0.592 | S | S | * | * | trans | -108.8 | 77 | 153 | -75.3 | -82.9 | 0 | 0 | 0 | 108.5 | D24 K28 | D24-Y26 PolarHBondContact O-N 2.68Å; Y26-K28 VanDerWaalsContact C-N 3.34Å; Y26-K28 PolarHBondContact O-N 3.17Å | ||
| 27 | G | 34.3 | Very low | 31.3 | Very low | 41 Ų | 41 | 103.9 Ų | 103.9 | 42% | 0.423 | 60% | 0.598 | S | S | . | * | trans | -74.7 | 79.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L29 | G27-L29 PolarHBondContact O-N 3.07Š| ||
| 28 | K | 28.8 | Very low | 31.2 | Very low | 192 Ų | 192 | 97.5 Ų | 97.5 | 84% | 0.835 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 119.5 | 165.8 | -168.3 | 175.8 | 179.6 | -178.3 | 0 | 108.2 | Y26 | Y26-K28 VanDerWaalsContact C-N 3.34Å; Y26-K28 PolarHBondContact O-N 3.17Å |
| 29 | L | 33.9 | Very low | 31.2 | Very low | 64 Ų | 64 | 96.8 Ų | 96.8 | 34% | 0.335 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 133 | -179.8 | -69.6 | 145.9 | 0 | 0 | 0 | 111 | G27 A53 P189 R191 | G27-L29 PolarHBondContact O-N 3.07Å; L29-A53 HydrophobicContact CD2-CB 4.42Å; L29-P189 HydrophobicContact CD2-CB 4.12Å; L29-P189 HydrophobicContact CD2-CG 4.33Å; L29-R191 VanDerWaalsContact CD1-NH1 3.34Å |
| 30 | V | 37.8 | Very low | 31.5 | Very low | 57 Ų | 57 | 97 Ų | 97 | 35% | 0.345 | 60% | 0.598 | S | S | . | * | B | Isolated β-bridge | trans | -102.9 | 127.8 | 176.1 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | Q32 | V30-Q32 VanDerWaalsContact CG1-O 3.29Å; V30-Q32 WeakPolarHBondContact CG1-O 3.3Å |
| 31 | T | 40 | Very low | 31.4 | Very low | 67 Ų | 67 | 96.4 Ų | 96.4 | 41% | 0.411 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -90 | 0.8 | -177.8 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | L50 | T31-L50 HydrophobicContact CG2-CD1 3.36Š|
| 32 | Q | 42.8 | Very low | 31.5 | Very low | 63 Ų | 63 | 94.2 Ų | 94.2 | 29% | 0.294 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -147 | 178.4 | -176.8 | -92.6 | 176.7 | -18.8 | 0 | 0 | 111 | V30 C34 | V30-Q32 VanDerWaalsContact CG1-O 3.29Å; V30-Q32 WeakPolarHBondContact CG1-O 3.3Å; Q32-C34 PolarHBondContact O-N 3.43Å |
| 33 | A | 41.7 | Very low | 31.4 | Very low | 49 Ų | 49 | 98.6 Ų | 98.6 | 41% | 0.405 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -29.9 | 133 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T35 | A33-T35 PolarHBondContact O-N 3.48Å; A33-T35 PolarHBondContact O-OG1 2.72Å |
| 34 | C | 35.9 | Very low | 31.5 | Very low | 23 Ų | 23 | 102.2 Ų | 102.2 | 16% | 0.155 | 61% | 0.609 | C | S | . | * | trans | -69.4 | 63.2 | -178.9 | -78 | 0 | 0 | 0 | 0 | 112.5 | Q32 C184 H186 V190 | Q32-C34 PolarHBondContact O-N 3.43Å; C34-C184 HydrophobicContact CB-CB 3.88Å; C34-C184 WeakPolarHBondContact CB-SG 3.22Å; C34-C184 WeakPolarHBondContact SG-CB 3.36Å; C34-C184 CovalentContact SG-SG 2.01Å; C34-C184 PolarHBondContact SG-SG 2.89Å; C34-H186 VanDerWaalsContact CB-ND1 3.29Å; C34-H186 WeakPolarHBondContact CB-ND1 3.48Å; C34-H186 PolarHBondContact O-CE1 2.66Å; C34-H186 PolarHBondContact O-ND1 2.94Å; C34-H186 VanDerWaalsContact O-ND1 3.07Å; C34-V190 WeakPolarHBondContact SG-CG1 3.3Å | ||
| 35 | T | 33.5 | Very low | 31.8 | Very low | 90 Ų | 90 | 101.4 Ų | 101.4 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | trans | -87.1 | 117.2 | 161.9 | 52.1 | 0 | 0 | 0 | 0 | 106.7 | A33 G37 | A33-T35 PolarHBondContact O-N 3.48Å; A33-T35 PolarHBondContact O-OG1 2.72Å; T35-G37 PolarHBondContact O-N 3.31Å | ||
| 36 | S | 31.8 | Very low | 32.1 | Very low | 125 Ų | 125 | 107.7 Ų | 107.7 | 87% | 0.874 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -45.5 | 106.8 | 164.2 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 37 | G | 25.5 | Very low | 32.8 | Very low | 87 Ų | 87 | 98.4 Ų | 98.4 | 90% | 0.897 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 61.5 | 79.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T35 | T35-G37 PolarHBondContact O-N 3.31Š|
| 38 | G | 23.5 | Very low | 33.7 | Very low | 54 Ų | 54 | 99.8 Ų | 99.8 | 56% | 0.557 | 60% | 0.596 | S | S | * | * | trans | -139.9 | 130.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 39 | S | 27.9 | Very low | 36 | Very low | 118 Ų | 118 | 99.2 Ų | 99.2 | 83% | 0.825 | 60% | 0.597 | S | S | * | * | trans | -51.9 | 144.5 | -171.5 | -63.9 | 0 | 0 | 0 | 0 | 114.7 | D41 | S39-D41 PolarHBondContact O-N 3.3Š| ||
| 40 | A | 30.8 | Very low | 38.4 | Very low | 92 Ų | 92 | 99.1 Ų | 99.1 | 76% | 0.76 | 60% | 0.596 | S | S | * | * | trans | -54.9 | 113 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G42 | A40-G42 PolarHBondContact O-N 3.43Š| ||
| 41 | D | 29.4 | Very low | 40.8 | Very low | 124 Ų | 124 | 96.6 Ų | 96.6 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | trans | -73.3 | 123.1 | 161.9 | -84.7 | -28.2 | 0 | 0 | 0 | 109.1 | S39 Y43 | S39-D41 PolarHBondContact O-N 3.3Å; D41-Y43 PolarHBondContact O-N 2.92Å | ||
| 42 | G | 25.6 | Very low | 42.9 | Very low | 66 Ų | 66 | 93.8 Ų | 93.8 | 68% | 0.68 | 57% | 0.566 | S | S | * | * | trans | -67.7 | 95.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A40 | A40-G42 PolarHBondContact O-N 3.43Š| ||
| 43 | Y | 28.7 | Very low | 45.1 | Very low | 186 Ų | 186 | 91.1 Ų | 91.1 | 73% | 0.729 | 55% | 0.554 | S | S | * | * | trans | -97.3 | 99.9 | 148 | -79.3 | -83.5 | 0 | 0 | 0 | 108.4 | D41 H45 | D41-Y43 PolarHBondContact O-N 2.92Å; Y43-H45 PolarHBondContact O-N 3.08Å | ||
| 44 | H | 27.4 | Very low | 47.1 | Very low | 185 Ų | 185 | 88.8 Ų | 88.8 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | trans | -69.3 | 73.3 | 170 | -76.6 | -83.1 | 0 | 0 | 0 | 110.2 | ||||
| 45 | H | 33.1 | Very low | 49.6 | Very low | 147 Ų | 147 | 87.8 Ų | 87.8 | 68% | 0.681 | 53% | 0.529 | S | S | * | . | trans | -89.8 | 114 | 162.9 | -86.4 | -66.7 | 0 | 0 | 0 | 109.2 | Y43 S47 | Y43-H45 PolarHBondContact O-N 3.08Å; H45-S47 PolarHBondContact O-N 2.86Å | ||
| 46 | H | 33.7 | Very low | 52.5 | Low | 201 Ų | 201 | 83.5 Ų | 83.5 | 93% | 0.931 | 50% | 0.502 | S | S | * | . | trans | -66.8 | 54.4 | 167.7 | -84.7 | -74.4 | 0 | 0 | 0 | 111.9 | ||||
| 47 | S | 42.1 | Very low | 55.4 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 25% | 0.245 | 46% | 0.461 | C | S | . | . | trans | -105.4 | 126.8 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | H45 Q49 E236 | H45-S47 PolarHBondContact O-N 2.86Å; S47-Q49 PolarHBondContact O-N 2.9Å; S47-E236 VanDerWaalsContact OG-CD 3.27Å; S47-E236 PolarHBondContact OG-OE1 3.03Å; S47-E236 PolarHBondContact OG-OE2 2.8Å | ||
| 48 | S | 53.2 | Low | 58.7 | Low | 70 Ų | 70 | 73.6 Ų | 73.6 | 49% | 0.49 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -29.7 | 122.8 | 155.2 | 5.7 | 0 | 0 | 0 | 0 | 110.7 | L50 E236 | S48-L50 PolarHBondContact O-N 3.18Å; S48-E236 PolarHBondContact OG-OE1 2.86Å |
| 49 | Q | 77.8 | Confident | 62 | Low | 181 Ų | 181 | 71.9 Ų | 71.9 | 85% | 0.846 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 5.7 | 108.6 | 170.6 | -166.6 | 169.1 | -2.1 | 0 | 0 | 115.2 | S47 W241 | S47-Q49 PolarHBondContact O-N 2.9Å; Q49-W241 PolarHBondContact O-NE1 3.41Å |
| 50 | L | 84.7 | Confident | 65 | Low | 61 Ų | 61 | 69.8 Ų | 69.8 | 32% | 0.319 | 37% | 0.372 | S | S | . | . | trans | -42.7 | 151.9 | 172.3 | -63.4 | 168.2 | 0 | 0 | 0 | 111.3 | T31 S48 Y179 | T31-L50 HydrophobicContact CG2-CD1 3.36Å; S48-L50 PolarHBondContact O-N 3.18Å; L50-Y179 HydrophobicContact CD2-CE1 4.46Å; L50-Y179 HydrophobicContact CD2-CE2 4.15Å | ||
| 51 | P | 86.8 | Confident | 67.6 | Low | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | trans | -58.1 | -171.2 | -169.9 | 3.8 | -6.3 | 0 | 0 | 0 | 115.3 | F163 R191 L234 W241 | P51-F163 HydrophobicContact CB-CE1 3.8Å; P51-F163 HydrophobicContact CB-CZ 4.17Å; P51-R191 VanDerWaalsContact C-CZ 3.46Å; P51-R191 VanDerWaalsContact N-NH2 3.16Å; P51-R191 PolarHBondContact O-NH1 2.93Å; P51-R191 PolarHBondContact O-NH2 2.99Å; P51-L234 HydrophobicContact CB-CD1 3.61Å; P51-L234 HydrophobicContact CG-CB 4.25Å; P51-L234 HydrophobicContact CG-CD1 3.91Å; P51-W241 VanDerWaalsContact CA-CD1 3.49Å; P51-W241 HydrophobicContact CB-CB 3.94Å; P51-W241 HydrophobicContact CB-CD2 3.74Å; P51-W241 HydrophobicContact CB-CE3 4.27Å; P51-W241 HydrophobicContact CB-CG 3.53Å; P51-W241 HydrophobicContact CG-CD2 3.49Å; P51-W241 VanDerWaalsContact CG-CD2 3.49Å; P51-W241 HydrophobicContact CG-CE3 3.64Å; P51-W241 HydrophobicContact CG-CG 3.88Å; P51-W241 HydrophobicContact CG-CH2 4.36Å; P51-W241 HydrophobicContact CG-CZ2 4.26Å; P51-W241 HydrophobicContact CG-CZ3 4.06Å | ||
| 52 | G | 85.5 | Confident | 70.1 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 9% | 0.093 | 34% | 0.337 | C | S | . | . | trans | -85.5 | -179.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E161 S181 R191 | G52-E161 WeakPolarHBondContact CA-OE2 3.46Å; G52-E161 PolarHBondContact N-OE2 3.13Å; G52-S181 PolarHBondContact O-OG 2.83Å; G52-R191 PolarHBondContact O-NH2 2.93Å | ||
| 53 | A | 87.8 | Confident | 72.8 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | trans | -78.9 | 141.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L29 G55 A107 E161 P189 | L29-A53 HydrophobicContact CD2-CB 4.42Å; A53-G55 VanDerWaalsContact C-N 3.31Å; A53-A107 HydrophobicContact CB-CB 4.47Å; A53-E161 PolarHBondContact O-N 2.9Å; A53-P189 HydrophobicContact CB-CB 3.65Å; A53-P189 HydrophobicContact CB-CG 4.48Å | ||
| 54 | S | 85.1 | Confident | 75.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | trans | -66.8 | -36.4 | 172.1 | 62.5 | 0 | 0 | 0 | 0 | 112 | V56 T71 G72 V160 S181 | S54-V56 PolarHBondContact O-N 2.97Å; S54-V56 VanDerWaalsContact O-N 3.13Å; S54-T71 WeakPolarHBondContact OG-CG2 3.05Å; S54-G72 WeakPolarHBondContact CB-O 3.34Å; S54-V160 WeakPolarHBondContact O-CG1 3.44Å; S54-S181 PolarHBondContact N-OG 2.86Å | ||
| 55 | G | 87.5 | Confident | 77.7 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | 57.4 | 25.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | A53 V105 G106 | A53-G55 VanDerWaalsContact C-N 3.31Å; G55-V105 CarbonylContact O-C 3.41Å; G55-V105 VanDerWaalsContact O-CA 3.28Å; G55-V105 WeakPolarHBondContact O-CA 3.37Å; G55-G106 CarbonylContact C-O 3.56Å; G55-G106 WeakPolarHBondContact CA-O 3.45Å; G55-G106 PolarHBondContact O-N 2.69Å; G55-G106 VanDerWaalsContact O-O 3.13Å | ||
| 56 | V | 94.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.6 | 177.6 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | S54 T71 G72 L74 V86 V103 Y104 V105 | S54-V56 PolarHBondContact O-N 2.97Å; S54-V56 VanDerWaalsContact O-N 3.13Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; V56-T71 WeakPolarHBondContact O-CG2 2.85Å; V56-G72 PolarHBondContact O-N 3.25Å; V56-L74 HydrophobicContact CG2-CG 3.86Å; V56-V86 HydrophobicContact CG1-CG1 3.69Å; V56-V86 HydrophobicContact CG1-CG2 4.07Å; V56-V103 HydrophobicContact CG1-CG1 3.73Å; V56-Y104 WeakPolarHBondContact CA-O 3.41Å; V56-V105 HydrophobicContact CG2-CG1 4.45Å; V56-V105 HydrophobicContact CG2-CG2 4.33Å |
| 57 | H | 94 | Very high | 82.6 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.3 | -178.9 | -62 | -77.9 | 0 | 0 | 0 | 110.6 | F59 V103 Y104 L109 V183 | H57-F59 HydrophobicContact CB-CD2 4.42Å; H57-F59 HydrophobicContact CB-CE2 3.76Å; H57-F59 HydrophobicContact CB-CZ 4.48Å; H57-V103 WeakPolarHBondContact O-CA 3.4Å; H57-Y104 PolarHBondContact N-O 3.04Å; H57-Y104 PolarHBondContact O-N 2.89Å; H57-L109 HydrophobicContact CB-CD1 3.81Å; H57-V183 WeakPolarHBondContact CE1-CG1 3.26Å; H57-V183 VanDerWaalsContact CE1-CG2 3.43Å; H57-V183 WeakPolarHBondContact CE1-CG2 2.81Å; H57-V183 WeakPolarHBondContact NE2-CG1 3.38Å |
| 58 | I | 94.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.9 | -175.8 | -59.1 | 164 | 0 | 0 | 0 | 108.4 | L69 C70 V86 T88 Y101 V103 L148 | I58-L69 PolarHBondContact O-N 3.12Å; I58-C70 HydrophobicContact CB-CB 4.37Å; I58-C70 HydrophobicContact CD1-CB 4.43Å; I58-C70 PolarHBondContact N-O 2.86Å; I58-C70 PolarHBondContact O-N 2.01Å; I58-V86 HydrophobicContact CD1-CG1 4.4Å; I58-T88 HydrophobicContact CD1-CG2 3.61Å; I58-T88 WeakPolarHBondContact CD1-OG1 3.17Å; I58-Y101 HydrophobicContact CG2-CD1 4.42Å; I58-V103 HydrophobicContact CG1-CG2 4.41Å; I58-L148 HydrophobicContact CD1-CD1 3.86Å; I58-L148 HydrophobicContact CG1-CD1 4.09Å; I58-L148 HydrophobicContact CG2-CD1 4.31Å |
| 59 | F | 92.1 | Very high | 86.6 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.1 | -176.3 | -72.1 | -90.7 | 0 | 0 | 0 | 110.9 | H57 I66 E67 A68 Y101 R102 L109 L122 | H57-F59 HydrophobicContact CB-CD2 4.42Å; H57-F59 HydrophobicContact CB-CE2 3.76Å; H57-F59 HydrophobicContact CB-CZ 4.48Å; F59-I66 HydrophobicContact CB-CG2 3.63Å; F59-I66 HydrophobicContact CD1-CG2 3.43Å; F59-I66 VanDerWaalsContact CD1-CG2 3.43Å; F59-I66 HydrophobicContact CE1-CG2 4.31Å; F59-I66 HydrophobicContact CG-CG2 3.82Å; F59-E67 CarbonylContact C-O 3.4Å; F59-E67 WeakPolarHBondContact CA-O 3.46Å; F59-E67 WeakPolarHBondContact CD1-O 3.22Å; F59-A68 VanDerWaalsContact CD1-CA 3.49Å; F59-A68 HydrophobicContact CD1-CB 3.97Å; F59-A68 HydrophobicContact CE1-CB 3.64Å; F59-A68 HydrophobicContact CZ-CB 4.37Å; F59-Y101 VanDerWaalsContact O-CA 3.3Å; F59-Y101 WeakPolarHBondContact O-CA 3.13Å; F59-R102 HydrophobicContact CB-CB 4.32Å; F59-R102 PolarHBondContact N-O 3.45Å; F59-R102 PolarHBondContact O-N 3.47Å; F59-L109 HydrophobicContact CE2-CD1 4.03Å; F59-L109 HydrophobicContact CZ-CD1 3.65Å; F59-L122 HydrophobicContact CD2-CD2 3.83Å; F59-L122 HydrophobicContact CE2-CD2 4.19Å; F59-L122 HydrophobicContact CG-CD2 4.47Å |
| 60 | K | 89.9 | Confident | 87.3 | Confident | 73 Ų | 73 | 37 Ų | 37 | 32% | 0.317 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133 | 171.8 | -172.3 | 178.4 | 177.9 | -172.7 | 0 | 110.7 | V62 I66 E67 L69 K100 | K60-V62 HydrophobicContact CD-CG2 4.22Å; K60-V62 HydrophobicContact CG-CG2 4.11Å; K60-I66 WeakPolarHBondContact O-CA 3.1Å; K60-E67 PolarHBondContact N-O 2.98Å; K60-E67 PolarHBondContact O-N 2.78Å; K60-L69 HydrophobicContact CB-CD1 3.58Å; K60-L69 HydrophobicContact CB-CD2 4Å; K60-L69 HydrophobicContact CB-CG 3.79Å; K60-L69 HydrophobicContact CD-CD1 4.31Å; K60-L69 HydrophobicContact CD-CD2 4.43Å; K60-L69 HydrophobicContact CG-CD1 4.44Å; K60-K100 CarbonylContact C-O 3.54Å; K60-K100 WeakPolarHBondContact CA-O 3.32Å |
| 61 | V | 86.9 | Confident | 87.8 | Confident | 44 Ų | 44 | 34 Ų | 34 | 27% | 0.267 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.4 | 173 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | I66 K100 R102 | V61-I66 HydrophobicContact CG2-CG1 4.41Å; V61-K100 PolarHBondContact N-O 3.24Å; V61-R102 HydrophobicContact CG2-CG 3.69Å |
| 62 | V | 82.5 | Confident | 88.2 | Confident | 70 Ų | 70 | 33.9 Ų | 33.9 | 42% | 0.424 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 99.2 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | K60 S64 S65 | K60-V62 HydrophobicContact CD-CG2 4.22Å; K60-V62 HydrophobicContact CG-CG2 4.11Å; V62-S64 PolarHBondContact O-N 3.02Å; V62-S65 PolarHBondContact N-O 3.01Å; V62-S65 PolarHBondContact O-N 2.89Å; V62-S65 PolarHBondContact O-OG 2.99Å |
| 63 | G | 81.8 | Confident | 88.7 | Confident | 74 Ų | 74 | 33.5 Ų | 33.5 | 76% | 0.763 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | -119.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 64 | S | 78.5 | Confident | 89.1 | Confident | 117 Ų | 117 | 33.2 Ų | 33.2 | 82% | 0.818 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 6.5 | 176.1 | -52.1 | 0 | 0 | 0 | 0 | 113.9 | V62 | V62-S64 PolarHBondContact O-N 3.02Š|
| 65 | S | 80.6 | Confident | 89.5 | Confident | 66 Ų | 66 | 35 Ų | 35 | 46% | 0.462 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 157.3 | -178.7 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | V62 | V62-S65 PolarHBondContact N-O 3.01Å; V62-S65 PolarHBondContact O-N 2.89Å; V62-S65 PolarHBondContact O-OG 2.99Å |
| 66 | I | 82.4 | Confident | 89.7 | Confident | 53 Ų | 53 | 36 Ų | 36 | 27% | 0.272 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 129.3 | 178.4 | -68.3 | 163 | 0 | 0 | 0 | 108.8 | F59 K60 V61 L118 L122 | F59-I66 HydrophobicContact CB-CG2 3.63Å; F59-I66 HydrophobicContact CD1-CG2 3.43Å; F59-I66 VanDerWaalsContact CD1-CG2 3.43Å; F59-I66 HydrophobicContact CE1-CG2 4.31Å; F59-I66 HydrophobicContact CG-CG2 3.82Å; K60-I66 WeakPolarHBondContact O-CA 3.1Å; V61-I66 HydrophobicContact CG2-CG1 4.41Å; I66-L118 HydrophobicContact CD1-CB 3.89Å; I66-L118 HydrophobicContact CD1-CD1 4.29Å; I66-L118 HydrophobicContact CD1-CD2 4.4Å; I66-L118 HydrophobicContact CD1-CG 4.4Å; I66-L122 HydrophobicContact CD1-CD1 3.68Å; I66-L122 HydrophobicContact CG2-CD1 4.42Å |
| 67 | E | 86.5 | Confident | 89.5 | Confident | 103 Ų | 103 | 41.3 Ų | 41.3 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.6 | 180 | -177.9 | -175.6 | -174.1 | 0 | 0 | 110 | F59 K60 L69 | F59-E67 CarbonylContact C-O 3.4Å; F59-E67 WeakPolarHBondContact CA-O 3.46Å; F59-E67 WeakPolarHBondContact CD1-O 3.22Å; K60-E67 PolarHBondContact N-O 2.98Å; K60-E67 PolarHBondContact O-N 2.78Å; E67-L69 HydrophobicContact CG-CD2 4.19Å |
| 68 | A | 87.8 | Confident | 89.1 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | F59 H227 | F59-A68 VanDerWaalsContact CD1-CA 3.49Å; F59-A68 HydrophobicContact CD1-CB 3.97Å; F59-A68 HydrophobicContact CE1-CB 3.64Å; F59-A68 HydrophobicContact CZ-CB 4.37Å; A68-H227 PolarHBondContact O-CD2 2.84Å |
| 69 | L | 90.9 | Very high | 88.8 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -55.2 | -178.2 | -64.1 | -174.1 | 0 | 0 | 0 | 112.3 | I58 K60 E67 Y101 | I58-L69 PolarHBondContact O-N 3.12Å; K60-L69 HydrophobicContact CB-CD1 3.58Å; K60-L69 HydrophobicContact CB-CD2 4Å; K60-L69 HydrophobicContact CB-CG 3.79Å; K60-L69 HydrophobicContact CD-CD1 4.31Å; K60-L69 HydrophobicContact CD-CD2 4.43Å; K60-L69 HydrophobicContact CG-CD1 4.44Å; E67-L69 HydrophobicContact CG-CD2 4.19Å; L69-Y101 HydrophobicContact CD1-CD1 4.17Å; L69-Y101 HydrophobicContact CD1-CE1 3.92Å |
| 70 | C | 93.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 172 | -161.9 | -46 | 0 | 0 | 0 | 0 | 112 | I58 C92 I229 | I58-C70 HydrophobicContact CB-CB 4.37Å; I58-C70 HydrophobicContact CD1-CB 4.43Å; I58-C70 PolarHBondContact N-O 2.86Å; I58-C70 PolarHBondContact O-N 2.01Å; C70-C92 HydrophobicContact CB-CB 3.87Å; C70-C92 WeakPolarHBondContact CB-SG 3.22Å; C70-C92 WeakPolarHBondContact SG-CA 3Å; C70-C92 WeakPolarHBondContact SG-CB 3.4Å; C70-C92 CovalentContact SG-SG 2.01Å; C70-C92 PolarHBondContact SG-SG 2.98Å; C70-I229 VanDerWaalsContact CB-O 3.26Å; C70-I229 WeakPolarHBondContact CB-O 3.15Å |
| 71 | T | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 162.1 | 164.1 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | S54 V56 T88 H227 I229 G230 S231 | S54-T71 WeakPolarHBondContact OG-CG2 3.05Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; V56-T71 WeakPolarHBondContact O-CG2 2.85Å; T71-T88 PolarHBondContact O-OG1 2.64Å; T71-H227 PolarHBondContact N-O 2.87Å; T71-H227 VanDerWaalsContact N-O 3.17Å; T71-H227 PolarHBondContact OG1-O 2.92Å; T71-I229 PolarHBondContact N-O 3.39Å; T71-G230 CarbonylContact O-C 3.58Å; T71-G230 VanDerWaalsContact O-CA 3.22Å; T71-G230 WeakPolarHBondContact O-CA 3.36Å; T71-S231 WeakPolarHBondContact CB-OG 3.29Å; T71-S231 WeakPolarHBondContact CG2-OG 3.31Å |
| 72 | G | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | -167.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S54 V56 V87 | S54-G72 WeakPolarHBondContact CB-O 3.34Å; V56-G72 PolarHBondContact O-N 3.25Å; G72-V87 CarbonylContact C-O 3.54Å; G72-V87 WeakPolarHBondContact CA-O 3.42Å |
| 73 | T | 95.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.6 | 166.8 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | Y75 V86 V87 P232 Q243 | T73-Y75 PolarHBondContact O-N 2.79Å; T73-V86 CarbonylContact O-C 3.44Å; T73-V86 VanDerWaalsContact O-CA 3.28Å; T73-V86 WeakPolarHBondContact O-CA 3.32Å; T73-V87 PolarHBondContact N-O 3.44Å; T73-V87 PolarHBondContact O-N 3.1Å; T73-P232 HydrophobicContact CG2-CB 3.48Å; T73-P232 VanDerWaalsContact CG2-CB 3.48Å; T73-P232 HydrophobicContact CG2-CG 3.36Å; T73-Q243 PolarHBondContact OG1-NE2 3.21Å; T73-Q243 VanDerWaalsContact OG1-NE2 3.14Å; T73-Q243 PolarHBondContact OG1-OE1 2.81Å |
| 74 | L | 94.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120 | 165.2 | -76.7 | 175.7 | 0 | 0 | 0 | 108.8 | V56 V76 V86 V105 V154 V160 S162 | V56-L74 HydrophobicContact CG2-CG 3.86Å; L74-V76 HydrophobicContact CB-CG2 4.31Å; L74-V86 HydrophobicContact CD2-CG2 3.91Å; L74-V105 HydrophobicContact CD1-CG1 3.92Å; L74-V154 HydrophobicContact CD1-CB 4.43Å; L74-V154 HydrophobicContact CD1-CG1 4.37Å; L74-V160 HydrophobicContact CD1-CG1 4.25Å; L74-S162 WeakPolarHBondContact O-CB 3.42Å; L74-S162 PolarHBondContact O-OG 3.42Å |
| 75 | Y | 94.8 | Very high | 91 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | trans | -86 | 112.4 | 169.8 | 173.1 | -107.3 | 0 | 0 | 0 | 109.2 | T73 K77 S83 E85 V87 L165 V281 | T73-Y75 PolarHBondContact O-N 2.79Å; Y75-K77 HydrophobicContact CE1-CG 3.97Å; Y75-S83 VanDerWaalsContact O-CB 3.29Å; Y75-S83 WeakPolarHBondContact O-CB 3.38Å; Y75-S83 PolarHBondContact O-OG 2.56Å; Y75-E85 HydrophobicContact CD1-CB 4.2Å; Y75-E85 WeakPolarHBondContact CD1-OE2 3.35Å; Y75-E85 PolarHBondContact N-O 3.31Å; Y75-V87 HydrophobicContact CG-CG2 4.44Å; Y75-L165 HydrophobicContact CD2-CD1 3.94Å; Y75-L165 HydrophobicContact CD2-CG 4.15Å; Y75-L165 HydrophobicContact CE2-CD1 3.7Å; Y75-L165 HydrophobicContact CE2-CG 4.01Å; Y75-V281 HydrophobicContact CD1-CB 4.16Å; Y75-V281 HydrophobicContact CD1-CG1 3.67Å; Y75-V281 HydrophobicContact CD1-CG2 4.06Å; Y75-V281 HydrophobicContact CD2-CG2 3.94Å; Y75-V281 HydrophobicContact CE1-CB 3.92Å; Y75-V281 HydrophobicContact CE1-CG1 3.67Å; Y75-V281 HydrophobicContact CE1-CG2 4.16Å; Y75-V281 HydrophobicContact CE2-CG2 4.08Å; Y75-V281 HydrophobicContact CG-CG1 4.33Å; Y75-V281 HydrophobicContact CG-CG2 3.92Å | ||
| 76 | V | 92.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | trans | -113.8 | 121.3 | -179.2 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L74 Q80 S83 I156 S162 | L74-V76 HydrophobicContact CB-CG2 4.31Å; V76-Q80 HydrophobicContact CG1-CB 3.88Å; V76-Q80 VanDerWaalsContact CG1-O 3.22Å; V76-Q80 WeakPolarHBondContact CG1-O 3.39Å; V76-S83 VanDerWaalsContact CG2-CB 3.43Å; V76-I156 HydrophobicContact CB-CD1 3.79Å; V76-I156 HydrophobicContact CG1-CD1 3.62Å; V76-I156 HydrophobicContact CG2-CD1 3.41Å; V76-I156 VanDerWaalsContact CG2-CD1 3.41Å; V76-I156 HydrophobicContact CG2-CG1 3.67Å; V76-S162 WeakPolarHBondContact CB-OG 3.29Å; V76-S162 WeakPolarHBondContact CG2-OG 3.24Å; V76-S162 PolarHBondContact N-OG 2.95Å | ||
| 77 | K | 89.9 | Confident | 92.4 | Very high | 110 Ų | 110 | 43.1 Ų | 43.1 | 48% | 0.478 | 23% | 0.225 | S | C | . | . | trans | -60.1 | 145.7 | 176.3 | -66.2 | 179.6 | -177.2 | 178.7 | 0 | 110.1 | Y75 G79 Q80 | Y75-K77 HydrophobicContact CE1-CG 3.97Å; K77-G79 PolarHBondContact O-N 3.28Å; K77-Q80 HydrophobicContact CB-CG 3.98Å; K77-Q80 VanDerWaalsContact O-CB 3.31Å; K77-Q80 WeakPolarHBondContact O-CB 3.47Å; K77-Q80 PolarHBondContact O-N 2.79Å | ||
| 78 | R | 85.9 | Confident | 92.8 | Very high | 160 Ų | 160 | 38.2 Ų | 38.2 | 60% | 0.604 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 132.4 | -179 | -67 | -176.1 | -177.5 | 147.2 | 10.6 | 111.1 | Q80 Y167 D278 | R78-Q80 PolarHBondContact O-N 3.36Å; R78-Y167 VanDerWaalsContact NH2-CZ 3.25Å; R78-Y167 PolarHBondContact NH2-OH 3.42Å; R78-D278 IonicContact NH2-OD2 2.82Å |
| 79 | G | 86.5 | Confident | 93.1 | Very high | 83 Ų | 83 | 37 Ų | 37 | 86% | 0.856 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 1.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K77 | K77-G79 PolarHBondContact O-N 3.28Š|
| 80 | Q | 90.7 | Very high | 93.1 | Very high | 98 Ų | 98 | 35.8 Ų | 35.8 | 46% | 0.458 | 19% | 0.187 | S | C | . | . | trans | -96.4 | 152.9 | 174.7 | -59.1 | -63.8 | -43.4 | 0 | 0 | 111.1 | V76 K77 R78 | V76-Q80 HydrophobicContact CG1-CB 3.88Å; V76-Q80 VanDerWaalsContact CG1-O 3.22Å; V76-Q80 WeakPolarHBondContact CG1-O 3.39Å; K77-Q80 HydrophobicContact CB-CG 3.98Å; K77-Q80 VanDerWaalsContact O-CB 3.31Å; K77-Q80 WeakPolarHBondContact O-CB 3.47Å; K77-Q80 PolarHBondContact O-N 2.79Å; R78-Q80 PolarHBondContact O-N 3.36Å | ||
| 81 | T | 88.9 | Confident | 92.9 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -114.1 | -6.9 | 174.3 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | K155 I156 | T81-K155 WeakPolarHBondContact O-CA 3.39Å; T81-I156 PolarHBondContact O-N 3.37Å |
| 82 | Y | 92.8 | Very high | 92.6 | Very high | 101 Ų | 101 | 39.6 Ų | 39.6 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.6 | 176.9 | -69.5 | -95.9 | 0 | 0 | 0 | 110.2 | R153 V154 K155 | Y82-R153 HydrophobicContact CD1-CB 4.47Å; Y82-V154 CarbonylContact C-O 3.33Å; Y82-V154 VanDerWaalsContact CA-O 3.26Å; Y82-V154 WeakPolarHBondContact CA-O 3.41Å; Y82-K155 HydrophobicContact CD1-CB 3.81Å; Y82-K155 HydrophobicContact CD1-CG 4.28Å; Y82-K155 HydrophobicContact CE1-CB 3.44Å; Y82-K155 VanDerWaalsContact CE1-CB 3.44Å; Y82-K155 HydrophobicContact CE1-CD 4.23Å; Y82-K155 HydrophobicContact CE1-CG 3.78Å; Y82-K155 HydrophobicContact CE2-CG 4.19Å |
| 83 | S | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.7 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | Y75 V76 E85 R153 V154 | Y75-S83 VanDerWaalsContact O-CB 3.29Å; Y75-S83 WeakPolarHBondContact O-CB 3.38Å; Y75-S83 PolarHBondContact O-OG 2.56Å; V76-S83 VanDerWaalsContact CG2-CB 3.43Å; S83-E85 PolarHBondContact OG-N 2.93Å; S83-E85 PolarHBondContact OG-O 2.77Å; S83-R153 WeakPolarHBondContact O-CA 3.23Å; S83-V154 PolarHBondContact N-O 2.97Å; S83-V154 PolarHBondContact O-N 2.85Å |
| 84 | D | 95.5 | Very high | 91.4 | Very high | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 15.5 | 169.1 | 50.1 | 3 | 0 | 0 | 0 | 110.6 | K149 L150 R153 | D84-K149 HydrophobicContact CB-CD 4.45Å; D84-K149 CarbonylContact O-C 3.5Å; D84-K149 WeakPolarHBondContact O-CA 3.14Å; D84-K149 WeakPolarHBondContact OD1-CE 3.3Å; D84-K149 IonicContact OD1-NZ 3.6Å; D84-K149 PolarHBondContact OD1-NZ 2.8Å; D84-K149 WeakPolarHBondContact OD2-CE 3.45Å; D84-K149 IonicContact OD2-NZ 2.61Å; D84-K149 PolarHBondContact OD2-NZ 3.36Å; D84-K149 VanDerWaalsContact OD2-NZ 3.07Å; D84-L150 HydrophobicContact CB-CB 4.23Å; D84-L150 PolarHBondContact O-N 3.01Å; D84-R153 HydrophobicContact CB-CG 3.71Å; D84-R153 IonicContact OD2-NE 2.8Å |
| 85 | E | 95.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120 | -174.9 | -73 | 167.2 | 174.5 | 0 | 0 | 109.7 | Y75 S83 V147 L148 K149 Q285 | Y75-E85 HydrophobicContact CD1-CB 4.2Å; Y75-E85 WeakPolarHBondContact CD1-OE2 3.35Å; Y75-E85 PolarHBondContact N-O 3.31Å; S83-E85 PolarHBondContact OG-N 2.93Å; S83-E85 PolarHBondContact OG-O 2.77Å; E85-V147 HydrophobicContact CB-CG1 4.37Å; E85-V147 HydrophobicContact CG-CG1 4.41Å; E85-L148 WeakPolarHBondContact CA-O 3.23Å; E85-K149 HydrophobicContact CG-CD 3.82Å; E85-K149 IonicContact OE1-NZ 2.99Å; E85-K149 PolarHBondContact OE1-NZ 3.17Å; E85-Q285 PolarHBondContact OE1-NE2 3.15Å |
| 86 | V | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.6 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 109.5 | V56 I58 T73 L74 V103 V147 L148 L150 | V56-V86 HydrophobicContact CG1-CG1 3.69Å; V56-V86 HydrophobicContact CG1-CG2 4.07Å; I58-V86 HydrophobicContact CD1-CG1 4.4Å; T73-V86 CarbonylContact O-C 3.44Å; T73-V86 VanDerWaalsContact O-CA 3.28Å; T73-V86 WeakPolarHBondContact O-CA 3.32Å; L74-V86 HydrophobicContact CD2-CG2 3.91Å; V86-V103 HydrophobicContact CG2-CG1 4.21Å; V86-V147 CarbonylContact O-C 3.59Å; V86-V147 VanDerWaalsContact O-CA 3.31Å; V86-V147 WeakPolarHBondContact O-CA 3.38Å; V86-L148 HydrophobicContact CB-CB 4.18Å; V86-L148 HydrophobicContact CG1-CD1 4.37Å; V86-L148 PolarHBondContact N-O 3.05Å; V86-L148 PolarHBondContact O-N 2.87Å; V86-L150 HydrophobicContact CG2-CD1 3.98Å; V86-L150 HydrophobicContact CG2-CD2 4.19Å; V86-L150 HydrophobicContact CG2-CG 4.21Å |
| 87 | V | 95.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.6 | 175.8 | 162.1 | 0 | 0 | 0 | 0 | 109.5 | G72 T73 Y75 L145 V147 I246 L276 V281 | G72-V87 CarbonylContact C-O 3.54Å; G72-V87 WeakPolarHBondContact CA-O 3.42Å; T73-V87 PolarHBondContact N-O 3.44Å; T73-V87 PolarHBondContact O-N 3.1Å; Y75-V87 HydrophobicContact CG-CG2 4.44Å; V87-L145 HydrophobicContact CB-CD1 4.33Å; V87-L145 HydrophobicContact CG1-CD1 3.5Å; V87-L145 VanDerWaalsContact CG1-CD1 3.5Å; V87-L145 HydrophobicContact CG2-CD1 4.33Å; V87-V147 HydrophobicContact CG2-CG2 4.43Å; V87-I246 HydrophobicContact CG1-CD1 3.38Å; V87-I246 HydrophobicContact CG1-CG1 4.25Å; V87-L276 HydrophobicContact CG1-CD1 4.25Å; V87-V281 HydrophobicContact CG2-CG2 3.69Å |
| 88 | T | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 176.5 | 177.1 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | I58 T71 C92 V93 T146 G230 | I58-T88 HydrophobicContact CD1-CG2 3.61Å; I58-T88 WeakPolarHBondContact CD1-OG1 3.17Å; T71-T88 PolarHBondContact O-OG1 2.64Å; T88-C92 HydrophobicContact CG2-CB 4.31Å; T88-V93 HydrophobicContact CG2-CG2 4.25Å; T88-T146 HydrophobicContact CG2-CG2 4.28Å; T88-T146 PolarHBondContact N-O 3.15Å; T88-T146 PolarHBondContact O-N 3.26Å; T88-G230 WeakPolarHBondContact OG1-CA 3.26Å |
| 89 | A | 93.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 140.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R91 C92 G144 I229 I246 | A89-R91 VanDerWaalsContact C-N 3.3Å; A89-R91 HydrophobicContact CB-CG 4.09Å; A89-R91 PolarHBondContact O-N 2.84Å; A89-C92 WeakPolarHBondContact O-CB 3.49Å; A89-C92 PolarHBondContact O-N 3.41Å; A89-G144 CarbonylContact C-O 3.57Å; A89-G144 WeakPolarHBondContact CA-O 3.42Å; A89-I229 HydrophobicContact CB-CG2 3.93Å; A89-I246 HydrophobicContact CB-CG2 4.02Å |
| 90 | S | 90.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -63.2 | -31.7 | -177.9 | -64.7 | 0 | 0 | 0 | 0 | 114.8 | C92 V93 G144 L145 T146 | S90-C92 PolarHBondContact O-N 3.25Å; S90-V93 CarbonylContact O-C 3.49Å; S90-V93 PolarHBondContact O-N 3.48Å; S90-G144 PolarHBondContact N-O 3.03Å; S90-G144 WeakPolarHBondContact OG-CA 2.88Å; S90-G144 PolarHBondContact OG-O 2.8Å; S90-L145 PolarHBondContact OG-N 3.5Å; S90-L145 VanDerWaalsContact OG-N 3.16Å; S90-L145 PolarHBondContact OG-O 2.89Å; S90-L145 VanDerWaalsContact OG-O 3.05Å; S90-T146 WeakPolarHBondContact CA-OG1 2.98Å; S90-T146 WeakPolarHBondContact CB-OG1 3.31Å; S90-T146 PolarHBondContact OG-OG1 3.21Å |
| 91 | R | 89.3 | Confident | 90.3 | Very high | 81 Ų | 81 | 38.9 Ų | 38.9 | 31% | 0.306 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -59 | -19.6 | 171.9 | 63.4 | 169.9 | 62.8 | -106.5 | -0.4 | 113.9 | A89 V93 A142 I229 D248 | A89-R91 VanDerWaalsContact C-N 3.3Å; A89-R91 HydrophobicContact CB-CG 4.09Å; A89-R91 PolarHBondContact O-N 2.84Å; R91-V93 VanDerWaalsContact C-N 3.34Å; R91-A142 HydrophobicContact CB-CB 4.19Å; R91-A142 WeakPolarHBondContact CB-O 3.37Å; R91-A142 PolarHBondContact N-O 2.93Å; R91-A142 VanDerWaalsContact N-O 3.08Å; R91-I229 HydrophobicContact CG-CG2 3.65Å; R91-D248 VanDerWaalsContact CD-O 3.23Å; R91-D248 WeakPolarHBondContact CD-O 3.06Å; R91-D248 IonicContact CZ-OD1 3.86Å; R91-D248 IonicContact CZ-OD2 3.43Å; R91-D248 VanDerWaalsContact CZ-OD2 3.28Å; R91-D248 PolarHBondContact NE-O 3.43Å; R91-D248 IonicContact NE-OD1 3.07Å; R91-D248 PolarHBondContact NE-OD1 2.86Å; R91-D248 IonicContact NE-OD2 2.61Å; R91-D248 PolarHBondContact NE-OD2 2.97Å; R91-D248 IonicContact NH2-OD1 2.7Å; R91-D248 IonicContact NH2-OD2 3.1Å; R91-D248 PolarHBondContact NH2-OD2 2.94Å |
| 92 | C | 90.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -68.1 | -37.4 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | C70 T88 A89 S90 P94 I229 | C70-C92 HydrophobicContact CB-CB 3.87Å; C70-C92 WeakPolarHBondContact CB-SG 3.22Å; C70-C92 WeakPolarHBondContact SG-CA 3Å; C70-C92 WeakPolarHBondContact SG-CB 3.4Å; C70-C92 CovalentContact SG-SG 2.01Å; C70-C92 PolarHBondContact SG-SG 2.98Å; T88-C92 HydrophobicContact CG2-CB 4.31Å; A89-C92 WeakPolarHBondContact O-CB 3.49Å; A89-C92 PolarHBondContact O-N 3.41Å; S90-C92 PolarHBondContact O-N 3.25Å; C92-P94 VanDerWaalsContact O-CD 3.25Å; C92-P94 WeakPolarHBondContact O-CD 3.28Å; C92-I229 HydrophobicContact CB-CG2 4.43Å |
| 93 | V | 88.2 | Confident | 90.6 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | trans | -126.1 | 68.3 | -167.7 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | T88 S90 R91 S95 Y101 I128 T146 L148 | T88-V93 HydrophobicContact CG2-CG2 4.25Å; S90-V93 CarbonylContact O-C 3.49Å; S90-V93 PolarHBondContact O-N 3.48Å; R91-V93 VanDerWaalsContact C-N 3.34Å; V93-S95 VanDerWaalsContact C-N 3.26Å; V93-S95 PolarHBondContact O-N 3.41Å; V93-Y101 HydrophobicContact CB-CE1 4.29Å; V93-Y101 HydrophobicContact CG1-CD1 4.29Å; V93-Y101 HydrophobicContact CG1-CD2 4.02Å; V93-Y101 HydrophobicContact CG1-CE1 3.83Å; V93-Y101 HydrophobicContact CG1-CE2 3.53Å; V93-Y101 HydrophobicContact CG1-CG 4.35Å; V93-Y101 HydrophobicContact CG2-CD1 4.48Å; V93-Y101 HydrophobicContact CG2-CE1 4.26Å; V93-I128 HydrophobicContact CG1-CD1 3.58Å; V93-I128 HydrophobicContact CG1-CG1 4.28Å; V93-I128 HydrophobicContact CG1-CG2 3.93Å; V93-T146 HydrophobicContact CB-CG2 4.21Å; V93-T146 HydrophobicContact CG2-CG2 4.45Å; V93-L148 HydrophobicContact CG1-CD2 4.1Å; V93-L148 HydrophobicContact CG2-CD2 4.11Å | ||
| 94 | P | 78.1 | Confident | 90.4 | Very high | 109 Ų | 109 | 34 Ų | 34 | 71% | 0.708 | 19% | 0.186 | S | C | * | . | trans | -71.1 | -21.2 | -175.2 | 29 | -36.2 | 0 | 0 | 0 | 113.3 | C92 | C92-P94 VanDerWaalsContact O-CD 3.25Å; C92-P94 WeakPolarHBondContact O-CD 3.28Å | ||
| 95 | S | 75.8 | Confident | 90.2 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -97.9 | 134.9 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | V93 A97 Y101 | V93-S95 VanDerWaalsContact C-N 3.26Å; V93-S95 PolarHBondContact O-N 3.41Å; S95-A97 PolarHBondContact O-N 3.4Å; S95-A97 WeakPolarHBondContact OG-CB 3.4Å; S95-A97 PolarHBondContact OG-N 3.01Å; S95-Y101 WeakPolarHBondContact CB-OH 3.21Å; S95-Y101 PolarHBondContact N-OH 2.91Å; S95-Y101 VanDerWaalsContact N-OH 3.08Å; S95-Y101 WeakPolarHBondContact O-CE2 3.23Å; S95-Y101 PolarHBondContact O-OH 2.54Å |
| 96 | T | 77.8 | Confident | 89.9 | Confident | 109 Ų | 109 | 34.6 Ų | 34.6 | 67% | 0.669 | 19% | 0.192 | S | C | * | . | trans | -77.2 | -0.8 | 173 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | A98 | T96-A98 PolarHBondContact O-N 3.33Š| ||
| 97 | A | 89 | Confident | 89.1 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 22% | 0.215 | 20% | 0.201 | C | C | . | . | trans | -75.5 | 93.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S95 D99 K100 Y101 | S95-A97 PolarHBondContact O-N 3.4Å; S95-A97 WeakPolarHBondContact OG-CB 3.4Å; S95-A97 PolarHBondContact OG-N 3.01Å; A97-D99 WeakPolarHBondContact CB-OD1 3.42Å; A97-D99 PolarHBondContact O-N 3.15Å; A97-K100 HydrophobicContact CB-CD 3.9Å; A97-K100 HydrophobicContact CB-CG 4.01Å; A97-K100 WeakPolarHBondContact O-CB 3.05Å; A97-K100 PolarHBondContact O-N 2.9Å; A97-K100 VanDerWaalsContact O-N 3.1Å; A97-Y101 VanDerWaalsContact O-CD2 3.3Å; A97-Y101 WeakPolarHBondContact O-CD2 3.28Å; A97-Y101 WeakPolarHBondContact O-CE2 3.43Å | ||
| 98 | A | 92.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -56.4 | -34.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T96 K100 Y101 V125 I128 | T96-A98 PolarHBondContact O-N 3.33Å; A98-K100 PolarHBondContact O-N 2.02Å; A98-K100 VanDerWaalsContact O-N 3.15Å; A98-Y101 PolarHBondContact O-N 3.47Å; A98-V125 HydrophobicContact CB-CB 4.34Å; A98-V125 HydrophobicContact CB-CG1 4Å; A98-I128 HydrophobicContact CB-CD1 4.16Å; A98-I128 HydrophobicContact CB-CG1 4.14Å |
| 99 | D | 91.1 | Very high | 87.9 | Confident | 112 Ų | 112 | 39 Ų | 39 | 60% | 0.599 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -62.2 | -20.7 | 179.1 | 65.7 | -49.1 | 0 | 0 | 0 | 113.7 | A97 Y101 R102 | A97-D99 WeakPolarHBondContact CB-OD1 3.42Å; A97-D99 PolarHBondContact O-N 3.15Å; D99-Y101 VanDerWaalsContact C-N 3.29Å; D99-Y101 PolarHBondContact O-N 2.9Å; D99-R102 PolarHBondContact O-NH1 2.92Å |
| 100 | K | 91.1 | Very high | 87 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -77.6 | -11.2 | 175.3 | -62.4 | -174.9 | -176.6 | 169.7 | 0 | 113.8 | K60 V61 A97 A98 | K60-K100 CarbonylContact C-O 3.54Å; K60-K100 WeakPolarHBondContact CA-O 3.32Å; V61-K100 PolarHBondContact N-O 3.24Å; A97-K100 HydrophobicContact CB-CD 3.9Å; A97-K100 HydrophobicContact CB-CG 4.01Å; A97-K100 WeakPolarHBondContact O-CB 3.05Å; A97-K100 PolarHBondContact O-N 2.9Å; A97-K100 VanDerWaalsContact O-N 3.1Å; A98-K100 PolarHBondContact O-N 2.02Å; A98-K100 VanDerWaalsContact O-N 3.15Å |
| 101 | Y | 93.5 | Very high | 86.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.1 | -174 | -55.2 | -86.5 | 0 | 0 | 0 | 112.1 | I58 F59 L69 V93 S95 A97 A98 D99 I128 | I58-Y101 HydrophobicContact CG2-CD1 4.42Å; F59-Y101 VanDerWaalsContact O-CA 3.3Å; F59-Y101 WeakPolarHBondContact O-CA 3.13Å; L69-Y101 HydrophobicContact CD1-CD1 4.17Å; L69-Y101 HydrophobicContact CD1-CE1 3.92Å; V93-Y101 HydrophobicContact CB-CE1 4.29Å; V93-Y101 HydrophobicContact CG1-CD1 4.29Å; V93-Y101 HydrophobicContact CG1-CD2 4.02Å; V93-Y101 HydrophobicContact CG1-CE1 3.83Å; V93-Y101 HydrophobicContact CG1-CE2 3.53Å; V93-Y101 HydrophobicContact CG1-CG 4.35Å; V93-Y101 HydrophobicContact CG2-CD1 4.48Å; V93-Y101 HydrophobicContact CG2-CE1 4.26Å; S95-Y101 WeakPolarHBondContact CB-OH 3.21Å; S95-Y101 PolarHBondContact N-OH 2.91Å; S95-Y101 VanDerWaalsContact N-OH 3.08Å; S95-Y101 WeakPolarHBondContact O-CE2 3.23Å; S95-Y101 PolarHBondContact O-OH 2.54Å; A97-Y101 VanDerWaalsContact O-CD2 3.3Å; A97-Y101 WeakPolarHBondContact O-CD2 3.28Å; A97-Y101 WeakPolarHBondContact O-CE2 3.43Å; A98-Y101 PolarHBondContact O-N 3.47Å; D99-Y101 VanDerWaalsContact C-N 3.29Å; D99-Y101 PolarHBondContact O-N 2.9Å; Y101-I128 HydrophobicContact CD2-CD1 3.61Å; Y101-I128 HydrophobicContact CE2-CD1 3.66Å |
| 102 | R | 93.1 | Very high | 85 | Confident | 51 Ų | 51 | 52 Ų | 52 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.8 | 176.8 | -71.9 | -59.3 | 178.6 | -75.7 | 1.1 | 109 | F59 V61 D99 L122 I123 | F59-R102 HydrophobicContact CB-CB 4.32Å; F59-R102 PolarHBondContact N-O 3.45Å; F59-R102 PolarHBondContact O-N 3.47Å; V61-R102 HydrophobicContact CG2-CG 3.69Å; D99-R102 PolarHBondContact O-NH1 2.92Å; R102-L122 HydrophobicContact CB-CB 3.95Å; R102-L122 HydrophobicContact CB-CD1 3.84Å; R102-L122 HydrophobicContact CB-CD2 4.18Å; R102-L122 HydrophobicContact CB-CG 4.21Å; R102-L122 HydrophobicContact CG-CB 4.27Å; R102-L122 HydrophobicContact CG-CD1 4.18Å; R102-I123 WeakPolarHBondContact CA-O 3.21Å |
| 103 | V | 94.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.2 | -179.6 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | V56 H57 I58 V86 V105 I123 V125 L148 L150 | V56-V103 HydrophobicContact CG1-CG1 3.73Å; H57-V103 WeakPolarHBondContact O-CA 3.4Å; I58-V103 HydrophobicContact CG1-CG2 4.41Å; V86-V103 HydrophobicContact CG2-CG1 4.21Å; V103-V105 HydrophobicContact CG1-CG2 3.97Å; V103-I123 PolarHBondContact N-O 3.27Å; V103-I123 PolarHBondContact O-N 3.04Å; V103-V125 HydrophobicContact CG2-CG2 3.97Å; V103-L148 HydrophobicContact CG2-CD1 4.07Å; V103-L150 HydrophobicContact CB-CD2 3.85Å; V103-L150 HydrophobicContact CG1-CD2 4.35Å; V103-L150 HydrophobicContact CG2-CD2 3.66Å |
| 104 | Y | 92.3 | Very high | 82.6 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 14% | 0.137 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133 | 165.9 | 177.8 | -101 | 0 | 0 | 0 | 109.1 | V56 H57 L108 L109 P110 M113 | V56-Y104 WeakPolarHBondContact CA-O 3.41Å; H57-Y104 PolarHBondContact N-O 3.04Å; H57-Y104 PolarHBondContact O-N 2.89Å; Y104-L108 WeakPolarHBondContact CE1-O 3.22Å; Y104-L108 PolarHBondContact OH-O 3.29Å; Y104-L108 VanDerWaalsContact OH-O 3.09Å; Y104-L109 HydrophobicContact CD1-CD1 4.23Å; Y104-P110 HydrophobicContact CE2-CG 4.19Å; Y104-M113 HydrophobicContact CD2-CE 4.46Å |
| 105 | V | 91.3 | Very high | 82.1 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 17% | 0.17 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 112.4 | 172.2 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | G55 V56 L74 V103 I123 V154 V160 | G55-V105 CarbonylContact O-C 3.41Å; G55-V105 VanDerWaalsContact O-CA 3.28Å; G55-V105 WeakPolarHBondContact O-CA 3.37Å; V56-V105 HydrophobicContact CG2-CG1 4.45Å; V56-V105 HydrophobicContact CG2-CG2 4.33Å; L74-V105 HydrophobicContact CD1-CG1 3.92Å; V103-V105 HydrophobicContact CG1-CG2 3.97Å; V105-I123 HydrophobicContact CG2-CD1 4.14Å; V105-V154 HydrophobicContact CB-CG1 4.22Å; V105-V154 HydrophobicContact CG1-CG1 3.96Å; V105-V154 HydrophobicContact CG2-CG1 4.45Å; V105-V154 HydrophobicContact CG2-CG2 4.23Å; V105-V160 HydrophobicContact CG1-CB 4.47Å; V105-V160 HydrophobicContact CG1-CG1 3.86Å; V105-V160 HydrophobicContact CG1-CG2 4.16Å |
| 106 | G | 88.1 | Confident | 81.8 | Confident | 11 Ų | 11 | 60 Ų | 60 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 175.9 | 146.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G55 L108 | G55-G106 CarbonylContact C-O 3.56Å; G55-G106 WeakPolarHBondContact CA-O 3.45Å; G55-G106 PolarHBondContact O-N 2.69Å; G55-G106 VanDerWaalsContact O-O 3.13Å; G106-L108 VanDerWaalsContact C-N 3.25Å; G106-L108 PolarHBondContact O-N 2.77Å |
| 107 | A | 80.4 | Confident | 81.4 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -63.5 | -31 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A53 G159 P189 | A53-A107 HydrophobicContact CB-CB 4.47Å; A107-G159 WeakPolarHBondContact CB-O 3.46Å; A107-P189 WeakPolarHBondContact O-CD 3.28Å |
| 108 | L | 82.9 | Confident | 80.5 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -105.2 | 128.2 | -179.5 | -64.7 | 170.7 | 0 | 0 | 0 | 108.7 | V25 Y104 G106 P110 G187 M188 | V25-L108 HydrophobicContact CB-CD1 4.42Å; V25-L108 HydrophobicContact CG1-CD1 3.91Å; V25-L108 HydrophobicContact CG2-CD1 3.74Å; Y104-L108 WeakPolarHBondContact CE1-O 3.22Å; Y104-L108 PolarHBondContact OH-O 3.29Å; Y104-L108 VanDerWaalsContact OH-O 3.09Å; G106-L108 VanDerWaalsContact C-N 3.25Å; G106-L108 PolarHBondContact O-N 2.77Å; L108-P110 VanDerWaalsContact O-CD 3.24Å; L108-P110 WeakPolarHBondContact O-CD 3.34Å; L108-G187 WeakPolarHBondContact CA-O 3.46Å; L108-M188 HydrophobicContact CD2-CE 3.63Å; L108-M188 HydrophobicContact CD2-SD 3.54Å; L108-M188 VanDerWaalsContact CD2-SD 3.54Å |
| 109 | L | 82.1 | Confident | 79.5 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | trans | -83.3 | 113.5 | 170.2 | -172.9 | 61.4 | 0 | 0 | 0 | 109 | H57 F59 Y104 R111 V183 G187 | H57-L109 HydrophobicContact CB-CD1 3.81Å; F59-L109 HydrophobicContact CE2-CD1 4.03Å; F59-L109 HydrophobicContact CZ-CD1 3.65Å; Y104-L109 HydrophobicContact CD1-CD1 4.23Å; L109-R111 PolarHBondContact O-N 2.89Å; L109-V183 HydrophobicContact CB-CG1 4.2Å; L109-V183 HydrophobicContact CB-CG2 4.24Å; L109-V183 HydrophobicContact CD2-CG2 3.94Å; L109-G187 PolarHBondContact N-O 3.14Å; L109-G187 WeakPolarHBondContact O-CA 3.45Å | ||
| 110 | P | 75.8 | Confident | 78.9 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | trans | -68.4 | 130.5 | -178.2 | -20.5 | 36 | 0 | 0 | 0 | 110.6 | Y104 L108 M113 | Y104-P110 HydrophobicContact CE2-CG 4.19Å; L108-P110 VanDerWaalsContact O-CD 3.24Å; L108-P110 WeakPolarHBondContact O-CD 3.34Å; P110-M113 HydrophobicContact CB-CE 3.75Å; P110-M113 HydrophobicContact CB-CG 3.85Å; P110-M113 HydrophobicContact CB-SD 4.15Å; P110-M113 HydrophobicContact CG-CE 3.6Å; P110-M113 HydrophobicContact CG-CG 4.45Å; P110-M113 HydrophobicContact CG-SD 4.11Å | ||
| 111 | R | 71.2 | Confident | 78.5 | Confident | 147 Ų | 147 | 65.2 Ų | 65.2 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -77 | -35.3 | 179.4 | -58.9 | -166.3 | -158.7 | 174.4 | 15.1 | 113.4 | L109 H186 | L109-R111 PolarHBondContact O-N 2.89Å; R111-H186 VanDerWaalsContact CZ-CA 3.4Å; R111-H186 VanDerWaalsContact NE-C 3.29Å; R111-H186 PolarHBondContact NE-O 2.9Å; R111-H186 PolarHBondContact NH2-CD2 3.35Å; R111-H186 PolarHBondContact NH2-O 2.9Å |
| 112 | H | 65.7 | Low | 78.3 | Confident | 174 Ų | 174 | 65.8 Ų | 65.8 | 81% | 0.806 | 33% | 0.333 | S | S | * | . | trans | -129.6 | 103 | -176.4 | -58 | -54.1 | 0 | 0 | 0 | 107.6 | ||||
| 113 | M | 64 | Low | 78.4 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | trans | -121 | 141 | 163.2 | -86.5 | -169.5 | -72.5 | 0 | 0 | 107.4 | Y104 P110 Q117 L118 T121 | Y104-M113 HydrophobicContact CD2-CE 4.46Å; P110-M113 HydrophobicContact CB-CE 3.75Å; P110-M113 HydrophobicContact CB-CG 3.85Å; P110-M113 HydrophobicContact CB-SD 4.15Å; P110-M113 HydrophobicContact CG-CE 3.6Å; P110-M113 HydrophobicContact CG-CG 4.45Å; P110-M113 HydrophobicContact CG-SD 4.11Å; M113-Q117 HydrophobicContact CB-CB 4.03Å; M113-Q117 HydrophobicContact CG-CB 4.07Å; M113-Q117 HydrophobicContact SD-CB 4.28Å; M113-L118 HydrophobicContact CB-CD1 4.08Å; M113-L118 HydrophobicContact CB-CD2 4.36Å; M113-L118 HydrophobicContact CB-CG 3.63Å; M113-L118 HydrophobicContact CE-CD2 3.62Å; M113-L118 HydrophobicContact CE-CG 4.07Å; M113-L118 HydrophobicContact SD-CG 4.46Å; M113-T121 HydrophobicContact SD-CG2 4.33Å; M113-T121 PolarHBondContact SD-OG1 3.01Å | ||
| 114 | T | 65.2 | Low | 78.3 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | trans | -63.8 | 157.4 | 166.6 | 81.1 | 0 | 0 | 0 | 0 | 109.1 | E116 Q117 L118 | T114-E116 WeakPolarHBondContact CB-OE2 3.49Å; T114-E116 PolarHBondContact O-N 2.76Å; T114-E116 VanDerWaalsContact O-N 3.16Å; T114-E116 PolarHBondContact OG1-N 3.35Å; T114-E116 PolarHBondContact OG1-OE2 2.8Å; T114-Q117 VanDerWaalsContact N-OE1 3.09Å; T114-Q117 PolarHBondContact O-N 2.05Å; T114-Q117 PolarHBondContact OG1-N 3Å; T114-Q117 VanDerWaalsContact OG1-N 3.16Å; T114-L118 PolarHBondContact O-N 3.45Å | ||
| 115 | V | 66.5 | Low | 78.5 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.5 | -33.6 | 177.2 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | G119 | V115-G119 PolarHBondContact O-N 2.98Å |
| 116 | E | 70.4 | Confident | 78.7 | Confident | 127 Ų | 127 | 67.2 Ų | 67.2 | 59% | 0.593 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.1 | -41.2 | 175.8 | -55.5 | 74.6 | -160.5 | 0 | 0 | 112.6 | T114 G119 R120 | T114-E116 WeakPolarHBondContact CB-OE2 3.49Å; T114-E116 PolarHBondContact O-N 2.76Å; T114-E116 VanDerWaalsContact O-N 3.16Å; T114-E116 PolarHBondContact OG1-N 3.35Å; T114-E116 PolarHBondContact OG1-OE2 2.8Å; E116-G119 PolarHBondContact O-N 2.88Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 3.05Å; E116-R120 VanDerWaalsContact O-N 3.14Å |
| 117 | Q | 69.8 | Low | 79 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 46% | 0.458 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 175.5 | -72.5 | 174.2 | -27.7 | 0 | 0 | 111.4 | M113 T114 R120 T121 | M113-Q117 HydrophobicContact CB-CB 4.03Å; M113-Q117 HydrophobicContact CG-CB 4.07Å; M113-Q117 HydrophobicContact SD-CB 4.28Å; T114-Q117 VanDerWaalsContact N-OE1 3.09Å; T114-Q117 PolarHBondContact O-N 2.05Å; T114-Q117 PolarHBondContact OG1-N 3Å; T114-Q117 VanDerWaalsContact OG1-N 3.16Å; Q117-R120 PolarHBondContact O-N 3.37Å; Q117-T121 WeakPolarHBondContact O-CG2 3.41Å; Q117-T121 PolarHBondContact O-N 3.5Å; Q117-T121 VanDerWaalsContact O-N 3.07Å; Q117-T121 PolarHBondContact O-OG1 2.97Å |
| 118 | L | 68.7 | Low | 79.6 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.6 | -52.5 | 170.4 | -84 | 153.2 | 0 | 0 | 0 | 109.9 | I66 M113 T114 R120 T121 L122 | I66-L118 HydrophobicContact CD1-CB 3.89Å; I66-L118 HydrophobicContact CD1-CD1 4.29Å; I66-L118 HydrophobicContact CD1-CD2 4.4Å; I66-L118 HydrophobicContact CD1-CG 4.4Å; M113-L118 HydrophobicContact CB-CD1 4.08Å; M113-L118 HydrophobicContact CB-CD2 4.36Å; M113-L118 HydrophobicContact CB-CG 3.63Å; M113-L118 HydrophobicContact CE-CD2 3.62Å; M113-L118 HydrophobicContact CE-CG 4.07Å; M113-L118 HydrophobicContact SD-CG 4.46Å; T114-L118 PolarHBondContact O-N 3.45Å; L118-R120 PolarHBondContact O-N 2.9Å; L118-R120 VanDerWaalsContact O-N 3.13Å; L118-T121 PolarHBondContact O-N 3.23Å; L118-T121 PolarHBondContact O-OG1 3.02Å; L118-L122 HydrophobicContact CB-CD1 4.01Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.28Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 WeakPolarHBondContact O-CG 2.95Å; L118-L122 PolarHBondContact O-N 3.39Å |
| 119 | G | 71.6 | Confident | 80 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.8 | -26.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | V115 E116 | V115-G119 PolarHBondContact O-N 2.98Å; E116-G119 PolarHBondContact O-N 2.88Å |
| 120 | R | 78 | Confident | 80.1 | Confident | 224 Ų | 224 | 67.3 Ų | 67.3 | 85% | 0.845 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -87.4 | -29.2 | 178.1 | -71.6 | 178 | -178 | -135.9 | 1.4 | 114.4 | E116 Q117 L118 | E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 3.05Å; E116-R120 VanDerWaalsContact O-N 3.14Å; Q117-R120 PolarHBondContact O-N 3.37Å; L118-R120 PolarHBondContact O-N 2.9Å; L118-R120 VanDerWaalsContact O-N 3.13Å |
| 121 | T | 83.9 | Confident | 79.7 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -94.4 | -24.6 | -177.4 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | M113 Q117 L118 | M113-T121 HydrophobicContact SD-CG2 4.33Å; M113-T121 PolarHBondContact SD-OG1 3.01Å; Q117-T121 WeakPolarHBondContact O-CG2 3.41Å; Q117-T121 PolarHBondContact O-N 3.5Å; Q117-T121 VanDerWaalsContact O-N 3.07Å; Q117-T121 PolarHBondContact O-OG1 2.97Å; L118-T121 PolarHBondContact O-N 3.23Å; L118-T121 PolarHBondContact O-OG1 3.02Å |
| 122 | L | 89.9 | Confident | 79.3 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -79 | 131.4 | 178.4 | -71.2 | 177.2 | 0 | 0 | 0 | 111.7 | F59 I66 R102 L118 | F59-L122 HydrophobicContact CD2-CD2 3.83Å; F59-L122 HydrophobicContact CE2-CD2 4.19Å; F59-L122 HydrophobicContact CG-CD2 4.47Å; I66-L122 HydrophobicContact CD1-CD1 3.68Å; I66-L122 HydrophobicContact CG2-CD1 4.42Å; R102-L122 HydrophobicContact CB-CB 3.95Å; R102-L122 HydrophobicContact CB-CD1 3.84Å; R102-L122 HydrophobicContact CB-CD2 4.18Å; R102-L122 HydrophobicContact CB-CG 4.21Å; R102-L122 HydrophobicContact CG-CB 4.27Å; R102-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 HydrophobicContact CB-CD1 4.01Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.28Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 WeakPolarHBondContact O-CG 2.95Å; L118-L122 PolarHBondContact O-N 3.39Å |
| 123 | I | 93.4 | Very high | 79.2 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133 | 178.4 | -52.1 | 175.4 | 0 | 0 | 0 | 108.6 | R102 V103 V105 L150 H152 V154 | R102-I123 WeakPolarHBondContact CA-O 3.21Å; V103-I123 PolarHBondContact N-O 3.27Å; V103-I123 PolarHBondContact O-N 3.04Å; V105-I123 HydrophobicContact CG2-CD1 4.14Å; I123-L150 HydrophobicContact CD1-CD1 4.33Å; I123-L150 HydrophobicContact CG2-CB 3.92Å; I123-L150 HydrophobicContact CG2-CD1 4.2Å; I123-L150 HydrophobicContact CG2-CD2 4.37Å; I123-L150 HydrophobicContact CG2-CG 4.39Å; I123-H152 HydrophobicContact CG2-CB 4.34Å; I123-V154 HydrophobicContact CD1-CG2 3.17Å |
| 124 | E | 94 | Very high | 79.1 | Confident | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139 | 175.1 | -65.3 | -170.2 | -167.1 | 0 | 0 | 111.8 | K151 | E124-K151 HydrophobicContact CB-CB 4.3Å; E124-K151 HydrophobicContact CB-CD 3.75Å; E124-K151 HydrophobicContact CB-CG 3.99Å; E124-K151 PolarHBondContact O-N 3.28Å; E124-K151 WeakPolarHBondContact OE2-CD 3.21Å; E124-K151 WeakPolarHBondContact OE2-CE 3.25Å; E124-K151 IonicContact OE2-NZ 2.68Å; E124-K151 PolarHBondContact OE2-NZ 3.18Å |
| 125 | V | 95.6 | Very high | 78.9 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.9 | 167.6 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | A98 V103 S127 I128 L148 L150 | A98-V125 HydrophobicContact CB-CB 4.34Å; A98-V125 HydrophobicContact CB-CG1 4Å; V103-V125 HydrophobicContact CG2-CG2 3.97Å; V125-S127 VanDerWaalsContact CG1-O 3.29Å; V125-S127 WeakPolarHBondContact CG1-O 3.17Å; V125-I128 HydrophobicContact CG1-CG1 3.82Å; V125-L148 HydrophobicContact CG1-CB 4.1Å; V125-L148 HydrophobicContact CG1-CD2 4.35Å; V125-L148 HydrophobicContact CG2-CB 4.45Å; V125-L148 HydrophobicContact CG2-CD1 4.33Å; V125-L150 HydrophobicContact CG2-CD2 4.4Å |
| 126 | G | 95.2 | Very high | 78.6 | Confident | 39 Ų | 39 | 58 Ų | 58 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K149 | G126-K149 WeakPolarHBondContact CA-O 3.44Å; G126-K149 PolarHBondContact N-O 2.91Å |
| 127 | S | 94.5 | Very high | 78.3 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 157.4 | 174.5 | 68 | 0 | 0 | 0 | 0 | 111.5 | V125 F129 K149 | V125-S127 VanDerWaalsContact CG1-O 3.29Å; V125-S127 WeakPolarHBondContact CG1-O 3.17Å; S127-F129 WeakPolarHBondContact OG-CE2 3.46Å; S127-F129 VanDerWaalsContact OG-CZ 3.32Å; S127-F129 WeakPolarHBondContact OG-CZ 3.17Å; S127-K149 PolarHBondContact N-O 2.87Å; S127-K149 PolarHBondContact O-N 2.83Å; S127-K149 WeakPolarHBondContact OG-CB 3.46Å |
| 128 | I | 93.7 | Very high | 78.2 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.6 | 178.5 | -62.5 | 170.3 | 0 | 0 | 0 | 106.1 | V93 A98 Y101 V125 A130 T146 L148 | V93-I128 HydrophobicContact CG1-CD1 3.58Å; V93-I128 HydrophobicContact CG1-CG1 4.28Å; V93-I128 HydrophobicContact CG1-CG2 3.93Å; A98-I128 HydrophobicContact CB-CD1 4.16Å; A98-I128 HydrophobicContact CB-CG1 4.14Å; Y101-I128 HydrophobicContact CD2-CD1 3.61Å; Y101-I128 HydrophobicContact CE2-CD1 3.66Å; V125-I128 HydrophobicContact CG1-CG1 3.82Å; I128-A130 HydrophobicContact CG2-CB 4.26Å; I128-T146 HydrophobicContact CG2-CG2 3.72Å; I128-L148 HydrophobicContact CB-CD2 4.35Å; I128-L148 HydrophobicContact CD1-CD2 4.48Å; I128-L148 HydrophobicContact CG1-CD2 3.78Å; I128-L148 HydrophobicContact CG2-CD2 4.06Å |
| 129 | F | 91 | Very high | 77.9 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111 | 169.8 | -52.5 | -83.4 | 0 | 0 | 0 | 107.7 | S127 T146 V147 K149 I284 Q285 E288 | S127-F129 WeakPolarHBondContact OG-CE2 3.46Å; S127-F129 VanDerWaalsContact OG-CZ 3.32Å; S127-F129 WeakPolarHBondContact OG-CZ 3.17Å; F129-T146 CarbonylContact O-C 3.55Å; F129-T146 WeakPolarHBondContact O-CA 3.5Å; F129-V147 HydrophobicContact CB-CB 4.39Å; F129-V147 PolarHBondContact N-O 3.03Å; F129-V147 PolarHBondContact O-N 2.91Å; F129-K149 HydrophobicContact CE2-CB 4.04Å; F129-I284 HydrophobicContact CB-CG2 3.77Å; F129-Q285 HydrophobicContact CB-CG 4.47Å; F129-Q285 HydrophobicContact CD2-CG 3.89Å; F129-Q285 HydrophobicContact CE2-CG 4.2Å; F129-Q285 HydrophobicContact CG-CG 4.05Å; F129-E288 WeakPolarHBondContact CA-OE2 3.44Å; F129-E288 HydrophobicContact CD1-CB 4.16Å; F129-E288 VanDerWaalsContact CD1-OE2 3.31Å; F129-E288 WeakPolarHBondContact CD1-OE2 3.13Å |
| 130 | A | 83.8 | Confident | 77.7 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I128 T146 E288 | I128-A130 HydrophobicContact CG2-CB 4.26Å; A130-T146 HydrophobicContact CB-CG2 4.24Å; A130-T146 VanDerWaalsContact CB-OG1 3.29Å; A130-T146 WeakPolarHBondContact CB-OG1 3.34Å; A130-E288 PolarHBondContact N-OE1 3.22Å; A130-E288 VanDerWaalsContact O-OE1 3.1Å |
| 131 | T | 67.9 | Low | 77.4 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 107.2 | 169 | -31.8 | 0 | 0 | 0 | 0 | 108 | L133 G144 L145 I284 L287 | T131-L133 HydrophobicContact CG2-CD2 3.79Å; T131-L133 HydrophobicContact CG2-CG 4.29Å; T131-L133 PolarHBondContact O-N 2.87Å; T131-G144 VanDerWaalsContact O-CA 3.26Å; T131-G144 WeakPolarHBondContact O-CA 3.43Å; T131-L145 PolarHBondContact N-O 3.08Å; T131-L145 VanDerWaalsContact N-O 3.11Å; T131-L145 PolarHBondContact O-N 2.89Å; T131-I284 VanDerWaalsContact OG1-CG1 3.28Å; T131-I284 WeakPolarHBondContact OG1-CG1 3.39Å; T131-I284 WeakPolarHBondContact OG1-CG2 3.2Å; T131-L287 HydrophobicContact CG2-CD1 4.22Å |
| 132 | P | 63.9 | Low | 77.1 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | trans | -65.9 | 84.5 | 151.2 | 29.7 | -31.2 | 0 | 0 | 0 | 105.8 | Y134 A135 K141 | P132-Y134 PolarHBondContact O-N 3.43Å; P132-A135 HydrophobicContact CB-CB 3.93Å; P132-A135 HydrophobicContact CG-CB 3.8Å; P132-A135 WeakPolarHBondContact O-CB 3.14Å; P132-A135 PolarHBondContact O-N 2.9Å; P132-K141 WeakPolarHBondContact CB-O 3.45Å | ||
| 133 | L | 61.9 | Low | 76.9 | Confident | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -19.5 | -177 | -72.1 | 168.8 | 0 | 0 | 0 | 112.1 | T131 | T131-L133 HydrophobicContact CG2-CD2 3.79Å; T131-L133 HydrophobicContact CG2-CG 4.29Å; T131-L133 PolarHBondContact O-N 2.87Å |
| 134 | Y | 62.4 | Low | 76.5 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 30.7 | -177.8 | -48 | -69.7 | 0 | 0 | 0 | 113.4 | P132 Q136 Y137 L140 V214 | P132-Y134 PolarHBondContact O-N 3.43Å; Y134-Q136 PolarHBondContact O-N 2.79Å; Y134-Y137 PolarHBondContact O-N 3.36Å; Y134-L140 VanDerWaalsContact CB-CD1 3.42Å; Y134-L140 HydrophobicContact CD1-CD1 4.48Å; Y134-L140 HydrophobicContact CD2-CD1 4.34Å; Y134-L140 HydrophobicContact CG-CB 4.43Å; Y134-L140 HydrophobicContact CG-CD1 3.83Å; Y134-V214 HydrophobicContact CD1-CG1 4.43Å; Y134-V214 HydrophobicContact CD2-CG2 4.33Å; Y134-V214 HydrophobicContact CE1-CB 4.18Å; Y134-V214 HydrophobicContact CE1-CG1 3.5Å; Y134-V214 HydrophobicContact CE2-CB 3.57Å; Y134-V214 HydrophobicContact CE2-CG1 3.88Å; Y134-V214 HydrophobicContact CE2-CG2 3.84Å; Y134-V214 VanDerWaalsContact CZ-CB 3.4Å; Y134-V214 VanDerWaalsContact OH-CB 3.23Å; Y134-V214 WeakPolarHBondContact OH-CB 3.36Å; Y134-V214 WeakPolarHBondContact OH-CG1 3.21Å |
| 135 | A | 61.7 | Low | 76.4 | Confident | 44 Ų | 44 | 49 Ų | 49 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -23.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P132 Y137 K141 | P132-A135 HydrophobicContact CB-CB 3.93Å; P132-A135 HydrophobicContact CG-CB 3.8Å; P132-A135 WeakPolarHBondContact O-CB 3.14Å; P132-A135 PolarHBondContact O-N 2.9Å; A135-Y137 PolarHBondContact O-N 3.4Å; A135-K141 WeakPolarHBondContact O-CE 3.3Å; A135-K141 VanDerWaalsContact O-CG 3.23Å; A135-K141 WeakPolarHBondContact O-CG 3.45Å |
| 136 | Q | 60.1 | Low | 76.2 | Confident | 154 Ų | 154 | 48.9 Ų | 48.9 | 72% | 0.72 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -14.9 | 175 | 67.2 | -147.1 | 45.1 | 0 | 0 | 114.4 | Y134 | Y134-Q136 PolarHBondContact O-N 2.79Š|
| 137 | Y | 64.4 | Low | 76.2 | Confident | 113 Ų | 113 | 47 Ų | 47 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -104.9 | 120.9 | 177.5 | -61.9 | -88.2 | 0 | 0 | 0 | 109.2 | Y134 A135 E139 L140 K141 | Y134-Y137 PolarHBondContact O-N 3.36Å; A135-Y137 PolarHBondContact O-N 3.4Å; Y137-E139 PolarHBondContact O-N 3.09Å; Y137-L140 HydrophobicContact CD2-CD1 4.01Å; Y137-L140 HydrophobicContact CG-CD1 3.88Å; Y137-L140 CarbonylContact O-C 3.52Å; Y137-L140 PolarHBondContact O-N 3.35Å; Y137-K141 PolarHBondContact O-N 3.43Å; Y137-K141 VanDerWaalsContact O-N 3.13Å |
| 138 | D | 65.8 | Low | 76.3 | Confident | 120 Ų | 120 | 45.3 Ų | 45.3 | 64% | 0.642 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -56.2 | -36.6 | -176.6 | -80 | -31.5 | 0 | 0 | 0 | 112.4 | L140 K141 | D138-L140 PolarHBondContact O-N 3.45Å; D138-K141 WeakPolarHBondContact OD1-CE 3.11Å; D138-K141 IonicContact OD1-NZ 3.95Å; D138-K141 PolarHBondContact OD1-NZ 3.32Å |
| 139 | E | 63.5 | Low | 76.4 | Confident | 117 Ų | 117 | 47.2 Ų | 47.2 | 55% | 0.547 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -67.7 | -18.1 | 178 | -58.1 | 87.2 | -177.8 | 0 | 0 | 113.6 | Y137 | Y137-E139 PolarHBondContact O-N 3.09Š|
| 140 | L | 68 | Low | 76.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -121 | 1.8 | -167.3 | -48.1 | 172.1 | 0 | 0 | 0 | 113.6 | Y134 Y137 D138 A142 M143 L211 M215 | Y134-L140 VanDerWaalsContact CB-CD1 3.42Å; Y134-L140 HydrophobicContact CD1-CD1 4.48Å; Y134-L140 HydrophobicContact CD2-CD1 4.34Å; Y134-L140 HydrophobicContact CG-CB 4.43Å; Y134-L140 HydrophobicContact CG-CD1 3.83Å; Y137-L140 HydrophobicContact CD2-CD1 4.01Å; Y137-L140 HydrophobicContact CG-CD1 3.88Å; Y137-L140 CarbonylContact O-C 3.52Å; Y137-L140 PolarHBondContact O-N 3.35Å; D138-L140 PolarHBondContact O-N 3.45Å; L140-A142 PolarHBondContact O-N 2.71Å; L140-M143 HydrophobicContact CB-CB 4.42Å; L140-M143 HydrophobicContact CD2-SD 4.35Å; L140-M143 WeakPolarHBondContact O-CA 3.3Å; L140-M143 PolarHBondContact O-N 3.1Å; L140-M143 VanDerWaalsContact O-O 3.13Å; L140-L211 HydrophobicContact CD1-CD1 3.18Å; L140-L211 HydrophobicContact CD2-CD1 4.16Å; L140-L211 HydrophobicContact CG-CD1 4.18Å; L140-M215 HydrophobicContact CD2-CE 3.06Å; L140-M215 HydrophobicContact CG-CE 4.45Å |
| 141 | K | 70.9 | Confident | 77.3 | Confident | 116 Ų | 116 | 50.4 Ų | 50.4 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -33.5 | -178.7 | -83.7 | 175.5 | 174.8 | 174.9 | 0 | 114.2 | P132 A135 Y137 D138 | P132-K141 WeakPolarHBondContact CB-O 3.45Å; A135-K141 WeakPolarHBondContact O-CE 3.3Å; A135-K141 VanDerWaalsContact O-CG 3.23Å; A135-K141 WeakPolarHBondContact O-CG 3.45Å; Y137-K141 PolarHBondContact O-N 3.43Å; Y137-K141 VanDerWaalsContact O-N 3.13Å; D138-K141 WeakPolarHBondContact OD1-CE 3.11Å; D138-K141 IonicContact OD1-NZ 3.95Å; D138-K141 PolarHBondContact OD1-NZ 3.32Å |
| 142 | A | 78.5 | Confident | 78.5 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -13.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R91 L140 | R91-A142 HydrophobicContact CB-CB 4.19Å; R91-A142 WeakPolarHBondContact CB-O 3.37Å; R91-A142 PolarHBondContact N-O 2.93Å; R91-A142 VanDerWaalsContact N-O 3.08Å; L140-A142 PolarHBondContact O-N 2.71Å |
| 143 | M | 83.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -85 | 121.5 | -179.3 | -172.6 | 163.5 | -176.8 | 0 | 0 | 109.2 | L140 M215 D248 M274 | L140-M143 HydrophobicContact CB-CB 4.42Å; L140-M143 HydrophobicContact CD2-SD 4.35Å; L140-M143 WeakPolarHBondContact O-CA 3.3Å; L140-M143 PolarHBondContact O-N 3.1Å; L140-M143 VanDerWaalsContact O-O 3.13Å; M143-M215 HydrophobicContact CE-CB 4.39Å; M143-M215 HydrophobicContact CE-CE 4.04Å; M143-M215 HydrophobicContact CE-CG 3.63Å; M143-M215 HydrophobicContact CE-SD 4Å; M143-M215 HydrophobicContact SD-CE 3.3Å; M143-M215 WeakPolarHBondContact SD-CE 3.2Å; M143-M215 HydrophobicContact SD-CG 4.18Å; M143-M215 HydrophobicContact SD-SD 3.9Å; M143-D248 HydrophobicContact CE-CB 4.25Å; M143-M274 HydrophobicContact CB-CE 4.4Å; M143-M274 VanDerWaalsContact CE-CA 3.47Å; M143-M274 HydrophobicContact CE-CB 3.71Å; M143-M274 HydrophobicContact CE-CE 4.1Å; M143-M274 HydrophobicContact CG-CE 3.41Å; M143-M274 VanDerWaalsContact CG-CE 3.41Å | ||
| 144 | G | 86.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -169.9 | 171.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A89 S90 T131 M274 | A89-G144 CarbonylContact C-O 3.57Å; A89-G144 WeakPolarHBondContact CA-O 3.42Å; S90-G144 PolarHBondContact N-O 3.03Å; S90-G144 WeakPolarHBondContact OG-CA 2.88Å; S90-G144 PolarHBondContact OG-O 2.8Å; T131-G144 VanDerWaalsContact O-CA 3.26Å; T131-G144 WeakPolarHBondContact O-CA 3.43Å; G144-M274 VanDerWaalsContact O-SD 3.42Å | ||
| 145 | L | 90.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.4 | 167 | 164.6 | 64.5 | 0 | 0 | 0 | 107.6 | V87 S90 T131 V147 I246 M274 L276 D280 I284 | V87-L145 HydrophobicContact CB-CD1 4.33Å; V87-L145 HydrophobicContact CG1-CD1 3.5Å; V87-L145 VanDerWaalsContact CG1-CD1 3.5Å; V87-L145 HydrophobicContact CG2-CD1 4.33Å; S90-L145 PolarHBondContact OG-N 3.5Å; S90-L145 VanDerWaalsContact OG-N 3.16Å; S90-L145 PolarHBondContact OG-O 2.89Å; S90-L145 VanDerWaalsContact OG-O 3.05Å; T131-L145 PolarHBondContact N-O 3.08Å; T131-L145 VanDerWaalsContact N-O 3.11Å; T131-L145 PolarHBondContact O-N 2.89Å; L145-V147 HydrophobicContact CG-CG2 4.44Å; L145-I246 HydrophobicContact CD1-CD1 3.65Å; L145-M274 HydrophobicContact CB-SD 3.84Å; L145-M274 PolarHBondContact N-SD 3.07Å; L145-M274 VanDerWaalsContact N-SD 3.36Å; L145-L276 HydrophobicContact CD1-CD2 4.09Å; L145-L276 HydrophobicContact CD2-CD2 3.85Å; L145-L276 HydrophobicContact CG-CD2 4.43Å; L145-D280 HydrophobicContact CD2-CB 3.73Å; L145-I284 HydrophobicContact CB-CD1 3.54Å; L145-I284 HydrophobicContact CD2-CD1 3.42Å; L145-I284 VanDerWaalsContact CD2-CD1 3.42Å; L145-I284 HydrophobicContact CD2-CG1 4.46Å; L145-I284 HydrophobicContact CG-CD1 3.42Å; L145-I284 VanDerWaalsContact CG-CD1 3.42Å |
| 146 | T | 92.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.4 | 169.4 | -70.4 | 0 | 0 | 0 | 0 | 109.8 | T88 S90 V93 I128 F129 A130 L148 | T88-T146 HydrophobicContact CG2-CG2 4.28Å; T88-T146 PolarHBondContact N-O 3.15Å; T88-T146 PolarHBondContact O-N 3.26Å; S90-T146 WeakPolarHBondContact CA-OG1 2.98Å; S90-T146 WeakPolarHBondContact CB-OG1 3.31Å; S90-T146 PolarHBondContact OG-OG1 3.21Å; V93-T146 HydrophobicContact CB-CG2 4.21Å; V93-T146 HydrophobicContact CG2-CG2 4.45Å; I128-T146 HydrophobicContact CG2-CG2 3.72Å; F129-T146 CarbonylContact O-C 3.55Å; F129-T146 WeakPolarHBondContact O-CA 3.5Å; A130-T146 HydrophobicContact CB-CG2 4.24Å; A130-T146 VanDerWaalsContact CB-OG1 3.29Å; A130-T146 WeakPolarHBondContact CB-OG1 3.34Å; T146-L148 HydrophobicContact CG2-CD2 3.66Å; T146-L148 HydrophobicContact CG2-CG 4.39Å |
| 147 | V | 94.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.6 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | E85 V86 V87 F129 L145 V281 I284 | E85-V147 HydrophobicContact CB-CG1 4.37Å; E85-V147 HydrophobicContact CG-CG1 4.41Å; V86-V147 CarbonylContact O-C 3.59Å; V86-V147 VanDerWaalsContact O-CA 3.31Å; V86-V147 WeakPolarHBondContact O-CA 3.38Å; V87-V147 HydrophobicContact CG2-CG2 4.43Å; F129-V147 HydrophobicContact CB-CB 4.39Å; F129-V147 PolarHBondContact N-O 3.03Å; F129-V147 PolarHBondContact O-N 2.91Å; L145-V147 HydrophobicContact CG-CG2 4.44Å; V147-V281 HydrophobicContact CG1-CG1 4.13Å; V147-V281 HydrophobicContact CG2-CB 4.42Å; V147-V281 HydrophobicContact CG2-CG1 4.02Å; V147-V281 HydrophobicContact CG2-CG2 4.31Å; V147-I284 HydrophobicContact CG2-CG2 4.42Å |
| 148 | L | 96.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.9 | 171.2 | -47.9 | 177.2 | 0 | 0 | 0 | 108.4 | I58 E85 V86 V93 V103 V125 I128 T146 | I58-L148 HydrophobicContact CD1-CD1 3.86Å; I58-L148 HydrophobicContact CG1-CD1 4.09Å; I58-L148 HydrophobicContact CG2-CD1 4.31Å; E85-L148 WeakPolarHBondContact CA-O 3.23Å; V86-L148 HydrophobicContact CB-CB 4.18Å; V86-L148 HydrophobicContact CG1-CD1 4.37Å; V86-L148 PolarHBondContact N-O 3.05Å; V86-L148 PolarHBondContact O-N 2.87Å; V93-L148 HydrophobicContact CG1-CD2 4.1Å; V93-L148 HydrophobicContact CG2-CD2 4.11Å; V103-L148 HydrophobicContact CG2-CD1 4.07Å; V125-L148 HydrophobicContact CG1-CB 4.1Å; V125-L148 HydrophobicContact CG1-CD2 4.35Å; V125-L148 HydrophobicContact CG2-CB 4.45Å; V125-L148 HydrophobicContact CG2-CD1 4.33Å; I128-L148 HydrophobicContact CB-CD2 4.35Å; I128-L148 HydrophobicContact CD1-CD2 4.48Å; I128-L148 HydrophobicContact CG1-CD2 3.78Å; I128-L148 HydrophobicContact CG2-CD2 4.06Å; T146-L148 HydrophobicContact CG2-CD2 3.66Å; T146-L148 HydrophobicContact CG2-CG 4.39Å |
| 149 | K | 96.2 | Very high | 84.1 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 22% | 0.222 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.7 | 168.5 | -164.3 | 68.6 | 167.7 | 177.2 | 0 | 108.5 | D84 E85 G126 S127 F129 | D84-K149 HydrophobicContact CB-CD 4.45Å; D84-K149 CarbonylContact O-C 3.5Å; D84-K149 WeakPolarHBondContact O-CA 3.14Å; D84-K149 WeakPolarHBondContact OD1-CE 3.3Å; D84-K149 IonicContact OD1-NZ 3.6Å; D84-K149 PolarHBondContact OD1-NZ 2.8Å; D84-K149 WeakPolarHBondContact OD2-CE 3.45Å; D84-K149 IonicContact OD2-NZ 2.61Å; D84-K149 PolarHBondContact OD2-NZ 3.36Å; D84-K149 VanDerWaalsContact OD2-NZ 3.07Å; E85-K149 HydrophobicContact CG-CD 3.82Å; E85-K149 IonicContact OE1-NZ 2.99Å; E85-K149 PolarHBondContact OE1-NZ 3.17Å; G126-K149 WeakPolarHBondContact CA-O 3.44Å; G126-K149 PolarHBondContact N-O 2.91Å; S127-K149 PolarHBondContact N-O 2.87Å; S127-K149 PolarHBondContact O-N 2.83Å; S127-K149 WeakPolarHBondContact OG-CB 3.46Å; F129-K149 HydrophobicContact CE2-CB 4.04Å |
| 150 | L | 96.8 | Very high | 84.8 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 146.9 | 176.6 | -54.5 | -176.5 | 0 | 0 | 0 | 110.2 | D84 V86 V103 I123 V125 H152 V154 | D84-L150 HydrophobicContact CB-CB 4.23Å; D84-L150 PolarHBondContact O-N 3.01Å; V86-L150 HydrophobicContact CG2-CD1 3.98Å; V86-L150 HydrophobicContact CG2-CD2 4.19Å; V86-L150 HydrophobicContact CG2-CG 4.21Å; V103-L150 HydrophobicContact CB-CD2 3.85Å; V103-L150 HydrophobicContact CG1-CD2 4.35Å; V103-L150 HydrophobicContact CG2-CD2 3.66Å; I123-L150 HydrophobicContact CD1-CD1 4.33Å; I123-L150 HydrophobicContact CG2-CB 3.92Å; I123-L150 HydrophobicContact CG2-CD1 4.2Å; I123-L150 HydrophobicContact CG2-CD2 4.37Å; I123-L150 HydrophobicContact CG2-CG 4.39Å; V125-L150 HydrophobicContact CG2-CD2 4.4Å; L150-H152 WeakPolarHBondContact CB-O 3.43Å; L150-H152 PolarHBondContact O-N 3.46Å; L150-V154 HydrophobicContact CD1-CG2 4.04Å |
| 151 | K | 95.7 | Very high | 85.6 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -23.3 | 173.4 | -69 | -165.8 | -176.7 | 172.1 | 0 | 112.9 | E124 | E124-K151 HydrophobicContact CB-CB 4.3Å; E124-K151 HydrophobicContact CB-CD 3.75Å; E124-K151 HydrophobicContact CB-CG 3.99Å; E124-K151 PolarHBondContact O-N 3.28Å; E124-K151 WeakPolarHBondContact OE2-CD 3.21Å; E124-K151 WeakPolarHBondContact OE2-CE 3.25Å; E124-K151 IonicContact OE2-NZ 2.68Å; E124-K151 PolarHBondContact OE2-NZ 3.18Å |
| 152 | H | 93.4 | Very high | 86.4 | Confident | 129 Ų | 129 | 51.9 Ų | 51.9 | 60% | 0.597 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.5 | 178.7 | -59.5 | -67.2 | 0 | 0 | 0 | 110.4 | I123 L150 | I123-H152 HydrophobicContact CG2-CB 4.34Å; L150-H152 WeakPolarHBondContact CB-O 3.43Å; L150-H152 PolarHBondContact O-N 3.46Å |
| 153 | R | 93.2 | Very high | 87.1 | Confident | 150 Ų | 150 | 50 Ų | 50 | 57% | 0.566 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141.1 | 172.8 | -74.4 | 178.1 | 149.7 | -153.9 | -12.9 | 110.4 | Y82 S83 D84 | Y82-R153 HydrophobicContact CD1-CB 4.47Å; S83-R153 WeakPolarHBondContact O-CA 3.23Å; D84-R153 HydrophobicContact CB-CG 3.71Å; D84-R153 IonicContact OD2-NE 2.8Å |
| 154 | V | 90.5 | Very high | 87.5 | Confident | 24 Ų | 24 | 52 Ų | 52 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.3 | 176.1 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | L74 Y82 S83 V105 I123 L150 | L74-V154 HydrophobicContact CD1-CB 4.43Å; L74-V154 HydrophobicContact CD1-CG1 4.37Å; Y82-V154 CarbonylContact C-O 3.33Å; Y82-V154 VanDerWaalsContact CA-O 3.26Å; Y82-V154 WeakPolarHBondContact CA-O 3.41Å; S83-V154 PolarHBondContact N-O 2.97Å; S83-V154 PolarHBondContact O-N 2.85Å; V105-V154 HydrophobicContact CB-CG1 4.22Å; V105-V154 HydrophobicContact CG1-CG1 3.96Å; V105-V154 HydrophobicContact CG2-CG1 4.45Å; V105-V154 HydrophobicContact CG2-CG2 4.23Å; I123-V154 HydrophobicContact CD1-CG2 3.17Å; L150-V154 HydrophobicContact CD1-CG2 4.04Å |
| 155 | K | 87.3 | Confident | 87.9 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.7 | 170.5 | -164.5 | -179.4 | -179.7 | -176.2 | 0 | 108.6 | T81 Y82 T157 | T81-K155 WeakPolarHBondContact O-CA 3.39Å; Y82-K155 HydrophobicContact CD1-CB 3.81Å; Y82-K155 HydrophobicContact CD1-CG 4.28Å; Y82-K155 HydrophobicContact CE1-CB 3.44Å; Y82-K155 VanDerWaalsContact CE1-CB 3.44Å; Y82-K155 HydrophobicContact CE1-CD 4.23Å; Y82-K155 HydrophobicContact CE1-CG 3.78Å; Y82-K155 HydrophobicContact CE2-CG 4.19Å; K155-T157 HydrophobicContact CB-CG2 4.17Å; K155-T157 HydrophobicContact CD-CG2 4.35Å; K155-T157 HydrophobicContact CG-CG2 4.38Å; K155-T157 PolarHBondContact O-N 2.88Å; K155-T157 VanDerWaalsContact O-N 3.08Å |
| 156 | I | 80.3 | Confident | 88 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | trans | -65.3 | 111 | 164.2 | -56.9 | 162 | 0 | 0 | 0 | 106.8 | V76 T81 V160 | V76-I156 HydrophobicContact CB-CD1 3.79Å; V76-I156 HydrophobicContact CG1-CD1 3.62Å; V76-I156 HydrophobicContact CG2-CD1 3.41Å; V76-I156 VanDerWaalsContact CG2-CD1 3.41Å; V76-I156 HydrophobicContact CG2-CG1 3.67Å; T81-I156 PolarHBondContact O-N 3.37Å; I156-V160 WeakPolarHBondContact CG2-O 3.48Å | ||
| 157 | T | 70.4 | Confident | 88 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | trans | -109.7 | 172.8 | 177.8 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | K155 G159 V160 | K155-T157 HydrophobicContact CB-CG2 4.17Å; K155-T157 HydrophobicContact CD-CG2 4.35Å; K155-T157 HydrophobicContact CG-CG2 4.38Å; K155-T157 PolarHBondContact O-N 2.88Å; K155-T157 VanDerWaalsContact O-N 3.08Å; T157-G159 PolarHBondContact O-N 3.09Å; T157-V160 PolarHBondContact O-N 3.32Å | ||
| 158 | Q | 65.2 | Low | 87.5 | Confident | 198 Ų | 198 | 61.5 Ų | 61.5 | 93% | 0.925 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 131.7 | 174.4 | -69.2 | -174.8 | -11.4 | 0 | 0 | 110.5 | ||
| 159 | G | 70.7 | Confident | 86.9 | Confident | 47 Ų | 47 | 67 Ų | 67 | 49% | 0.485 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -21.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A107 T157 | A107-G159 WeakPolarHBondContact CB-O 3.46Å; T157-G159 PolarHBondContact O-N 3.09Å |
| 160 | V | 78.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.055 | 35% | 0.347 | C | S | . | . | trans | -116 | 113.7 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | S54 L74 V105 I156 T157 | S54-V160 WeakPolarHBondContact O-CG1 3.44Å; L74-V160 HydrophobicContact CD1-CG1 4.25Å; V105-V160 HydrophobicContact CG1-CB 4.47Å; V105-V160 HydrophobicContact CG1-CG1 3.86Å; V105-V160 HydrophobicContact CG1-CG2 4.16Å; I156-V160 WeakPolarHBondContact CG2-O 3.48Å; T157-V160 PolarHBondContact O-N 3.32Å | ||
| 161 | E | 85.2 | Confident | 86.5 | Confident | 76 Ų | 76 | 69.2 Ų | 69.2 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | trans | -101.6 | 137.2 | -178.8 | -169.1 | 170.3 | 152.5 | 0 | 0 | 111 | G52 A53 F163 | G52-E161 WeakPolarHBondContact CA-OE2 3.46Å; G52-E161 PolarHBondContact N-OE2 3.13Å; A53-E161 PolarHBondContact O-N 2.9Å; E161-F163 HydrophobicContact CB-CE1 4.16Å; E161-F163 HydrophobicContact CB-CE2 4.12Å; E161-F163 HydrophobicContact CB-CZ 3.7Å; E161-F163 VanDerWaalsContact CD-CE1 3.41Å; E161-F163 HydrophobicContact CG-CD1 4.23Å; E161-F163 HydrophobicContact CG-CE1 3.7Å; E161-F163 HydrophobicContact CG-CE2 4.38Å; E161-F163 HydrophobicContact CG-CZ 3.78Å; E161-F163 WeakPolarHBondContact O-CE2 3.13Å; E161-F163 WeakPolarHBondContact OE1-CE1 3.12Å | ||
| 162 | S | 87.7 | Confident | 86.5 | Confident | 26 Ų | 26 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | trans | -98.5 | 137.7 | 166.6 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | L74 V76 | L74-S162 WeakPolarHBondContact O-CB 3.42Å; L74-S162 PolarHBondContact O-OG 3.42Å; V76-S162 WeakPolarHBondContact CB-OG 3.29Å; V76-S162 WeakPolarHBondContact CG2-OG 3.24Å; V76-S162 PolarHBondContact N-OG 2.95Å | ||
| 163 | F | 92.1 | Very high | 86.6 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | trans | -112 | 136 | -176.7 | -57.1 | -80.1 | 0 | 0 | 0 | 109.5 | P51 E161 L234 W241 Q243 | P51-F163 HydrophobicContact CB-CE1 3.8Å; P51-F163 HydrophobicContact CB-CZ 4.17Å; E161-F163 HydrophobicContact CB-CE1 4.16Å; E161-F163 HydrophobicContact CB-CE2 4.12Å; E161-F163 HydrophobicContact CB-CZ 3.7Å; E161-F163 VanDerWaalsContact CD-CE1 3.41Å; E161-F163 HydrophobicContact CG-CD1 4.23Å; E161-F163 HydrophobicContact CG-CE1 3.7Å; E161-F163 HydrophobicContact CG-CE2 4.38Å; E161-F163 HydrophobicContact CG-CZ 3.78Å; E161-F163 WeakPolarHBondContact O-CE2 3.13Å; E161-F163 WeakPolarHBondContact OE1-CE1 3.12Å; F163-L234 HydrophobicContact CB-CD2 3.81Å; F163-L234 HydrophobicContact CD1-CD1 4.16Å; F163-L234 HydrophobicContact CD1-CD2 3.69Å; F163-L234 HydrophobicContact CD2-CD1 4.13Å; F163-L234 HydrophobicContact CD2-CD2 3.5Å; F163-L234 VanDerWaalsContact CD2-CD2 3.5Å; F163-L234 HydrophobicContact CD2-CG 4.46Å; F163-L234 HydrophobicContact CE1-CD1 3.69Å; F163-L234 HydrophobicContact CE1-CD2 4.11Å; F163-L234 HydrophobicContact CE2-CD1 3.67Å; F163-L234 HydrophobicContact CE2-CD2 3.95Å; F163-L234 HydrophobicContact CE2-CG 4.45Å; F163-L234 HydrophobicContact CG-CD1 4.35Å; F163-L234 HydrophobicContact CG-CD2 3.34Å; F163-L234 HydrophobicContact CG-CG 4.49Å; F163-L234 HydrophobicContact CZ-CD1 3.42Å; F163-L234 VanDerWaalsContact CZ-CD1 3.42Å; F163-L234 HydrophobicContact CZ-CD2 4.22Å; F163-L234 HydrophobicContact CZ-CG 4.48Å; F163-W241 HydrophobicContact CD1-CB 4.1Å; F163-W241 HydrophobicContact CE1-CB 4.23Å; F163-Q243 HydrophobicContact CB-CB 3.85Å | ||
| 164 | P | 93.2 | Very high | 86.6 | Confident | 43 Ų | 43 | 57 Ų | 57 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 148.5 | 173.6 | 29.2 | -35 | 0 | 0 | 0 | 110.3 | W241 T242 Q243 | P164-W241 WeakPolarHBondContact CD-O 3.09Å; P164-T242 VanDerWaalsContact O-CG2 3.29Å; P164-T242 WeakPolarHBondContact O-CG2 3.34Å; P164-Q243 PolarHBondContact O-N 3.3Å |
| 165 | L | 94.6 | Very high | 86.7 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 150.6 | 165.1 | -57.2 | -173.1 | 0 | 0 | 0 | 109.8 | Y75 Q243 L276 E277 D278 V281 | Y75-L165 HydrophobicContact CD2-CD1 3.94Å; Y75-L165 HydrophobicContact CD2-CG 4.15Å; Y75-L165 HydrophobicContact CE2-CD1 3.7Å; Y75-L165 HydrophobicContact CE2-CG 4.01Å; L165-Q243 HydrophobicContact CD2-CB 4.17Å; L165-Q243 HydrophobicContact CD2-CG 4.23Å; L165-L276 HydrophobicContact CD2-CB 4.25Å; L165-L276 HydrophobicContact CD2-CD1 3.82Å; L165-E277 WeakPolarHBondContact CD1-O 3.4Å; L165-D278 HydrophobicContact CB-CB 4.28Å; L165-V281 HydrophobicContact CD1-CG2 3.99Å |
| 166 | P | 94.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 153.8 | 176.1 | 33.7 | -38.5 | 0 | 0 | 0 | 110.5 | T242 Q243 F244 L276 E277 D278 | P166-T242 HydrophobicContact CB-CG2 4.02Å; P166-Q243 WeakPolarHBondContact CD-O 3.29Å; P166-F244 HydrophobicContact CB-CD1 3.79Å; P166-F244 HydrophobicContact CB-CE1 3.59Å; P166-F244 HydrophobicContact CB-CZ 4.16Å; P166-F244 HydrophobicContact CG-CD1 3.78Å; P166-F244 HydrophobicContact CG-CE1 4.12Å; P166-F244 HydrophobicContact CG-CG 4.35Å; P166-L276 WeakPolarHBondContact CG-O 3.42Å; P166-E277 CarbonylContact O-C 3.5Å; P166-D278 WeakPolarHBondContact O-CB 3.39Å; P166-D278 PolarHBondContact O-N 2.82Å |
| 167 | Y | 91.3 | Very high | 87.9 | Confident | 126 Ų | 126 | 56 Ų | 56 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 149.3 | 168.1 | -62.1 | -80.7 | 0 | 0 | 0 | 110.1 | R78 S169 T170 D278 | R78-Y167 VanDerWaalsContact NH2-CZ 3.25Å; R78-Y167 PolarHBondContact NH2-OH 3.42Å; Y167-S169 PolarHBondContact O-N 2.84Å; Y167-T170 WeakPolarHBondContact O-CB 3.3Å; Y167-T170 PolarHBondContact O-N 3.09Å; Y167-D278 WeakPolarHBondContact CD1-OD2 3.47Å |
| 168 | S | 85.3 | Confident | 89.2 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -20.4 | -177.2 | -43.8 | 0 | 0 | 0 | 0 | 116 | E277 D278 D279 | S168-E277 WeakPolarHBondContact CB-OE2 3.48Å; S168-D278 PolarHBondContact N-OD1 3.06Å; S168-D279 PolarHBondContact OG-OD1 3.38Å |
| 169 | S | 82.1 | Confident | 90.7 | Very high | 114 Ų | 114 | 45.4 Ų | 45.4 | 80% | 0.797 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -2.1 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | Y167 | Y167-S169 PolarHBondContact O-N 2.84Š|
| 170 | T | 91.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | trans | -104.8 | 112.6 | -174.7 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | Y167 F244 | Y167-T170 WeakPolarHBondContact O-CB 3.3Å; Y167-T170 PolarHBondContact O-N 3.09Å; T170-F244 HydrophobicContact CG2-CE1 3.9Å; T170-F244 HydrophobicContact CG2-CZ 3.97Å | ||
| 171 | S | 93.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | trans | -107.5 | 147.6 | 174.9 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | Y216 | S171-Y216 VanDerWaalsContact CA-OH 3.31Å; S171-Y216 WeakPolarHBondContact CA-OH 3.2Å; S171-Y216 WeakPolarHBondContact CB-OH 3.42Å | ||
| 172 | A | 96.3 | Very high | 93 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 8% | 0.083 | 25% | 0.25 | C | S | . | . | trans | -67.9 | 143.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M176 L196 Y216 F244 | A172-M176 HydrophobicContact CB-SD 4.22Å; A172-L196 HydrophobicContact CB-CD1 3.63Å; A172-Y216 HydrophobicContact CB-CD1 4.43Å; A172-Y216 HydrophobicContact CB-CE1 3.9Å; A172-Y216 HydrophobicContact CB-CE2 4.23Å; A172-Y216 PolarHBondContact N-OH 2.94Å; A172-Y216 WeakPolarHBondContact O-CE1 3.49Å; A172-F244 HydrophobicContact CB-CB 3.96Å; A172-F244 HydrophobicContact CB-CD1 3.73Å; A172-F244 HydrophobicContact CB-CD2 4.25Å; A172-F244 HydrophobicContact CB-CE1 4.22Å; A172-F244 HydrophobicContact CB-CG 3.72Å; A172-F244 VanDerWaalsContact N-CD1 3.33Å | ||
| 173 | T | 95.1 | Very high | 93.2 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | trans | -118.4 | 156.7 | 178.1 | 69 | 0 | 0 | 0 | 0 | 110.5 | G175 M176 | T173-G175 PolarHBondContact O-N 3.08Å; T173-M176 HydrophobicContact CG2-CE 4.46Å; T173-M176 PolarHBondContact N-SD 2.99Å; T173-M176 WeakPolarHBondContact O-CB 3.49Å; T173-M176 PolarHBondContact O-N 3.14Å | ||
| 174 | S | 93.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.6 | 179.7 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | L196 | S174-L196 VanDerWaalsContact CA-O 3.32Å; S174-L196 WeakPolarHBondContact CA-O 3.47Å; S174-L196 WeakPolarHBondContact CB-O 3.45Å |
| 175 | G | 93.2 | Very high | 92.9 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 71% | 0.711 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T173 | T173-G175 PolarHBondContact O-N 3.08Š|
| 176 | M | 95.7 | Very high | 92.6 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -77.8 | 137.4 | 179.1 | -70.2 | 175.2 | 175 | 0 | 0 | 110.8 | A172 T173 C178 C235 F244 | A172-M176 HydrophobicContact CB-SD 4.22Å; T173-M176 HydrophobicContact CG2-CE 4.46Å; T173-M176 PolarHBondContact N-SD 2.99Å; T173-M176 WeakPolarHBondContact O-CB 3.49Å; T173-M176 PolarHBondContact O-N 3.14Å; M176-C178 PolarHBondContact O-N 2.8Å; M176-C178 PolarHBondContact O-SG 2.93Å; M176-C235 HydrophobicContact CB-CB 4.26Å; M176-C235 HydrophobicContact SD-CB 4.42Å; M176-F244 HydrophobicContact SD-CZ 4.5Å |
| 177 | P | 95.6 | Very high | 92.3 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 31% | 0.312 | 27% | 0.272 | S | S | . | . | trans | -63.6 | 119 | 166.1 | -17.1 | 30.2 | 0 | 0 | 0 | 109.2 | C235 E236 W241 | P177-C235 VanDerWaalsContact O-CA 3.31Å; P177-C235 WeakPolarHBondContact O-CA 3.23Å; P177-E236 HydrophobicContact CG-CB 4.42Å; P177-E236 PolarHBondContact O-N 3.16Å; P177-W241 HydrophobicContact CB-CH2 4.4Å | ||
| 178 | C | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.2 | -179 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | M176 H193 Y194 L196 L233 L234 C235 | M176-C178 PolarHBondContact O-N 2.8Å; M176-C178 PolarHBondContact O-SG 2.93Å; C178-H193 PolarHBondContact O-CD2 3.34Å; C178-Y194 PolarHBondContact O-N 3.38Å; C178-L196 HydrophobicContact CB-CD1 4.45Å; C178-L196 HydrophobicContact CB-CG 4.19Å; C178-L196 WeakPolarHBondContact SG-CD1 3.5Å; C178-L233 HydrophobicContact CB-CD1 3.98Å; C178-L234 CarbonylContact C-O 3.53Å; C178-L234 WeakPolarHBondContact CA-O 3.5Å; C178-C235 HydrophobicContact CB-CB 4.16Å; C178-C235 WeakPolarHBondContact CB-SG 3.23Å; C178-C235 WeakPolarHBondContact SG-CB 3.47Å; C178-C235 CovalentContact SG-SG 2.05Å; C178-C235 PolarHBondContact SG-SG 3.48Å |
| 179 | Y | 96.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.3 | 179.3 | -67.1 | -93.4 | 0 | 0 | 0 | 110.8 | L50 R191 I192 H193 L234 W241 | L50-Y179 HydrophobicContact CD2-CE1 4.46Å; L50-Y179 HydrophobicContact CD2-CE2 4.15Å; Y179-R191 HydrophobicContact CD1-CB 4.23Å; Y179-I192 CarbonylContact C-O 3.53Å; Y179-I192 WeakPolarHBondContact CA-O 3.37Å; Y179-H193 HydrophobicContact CD1-CB 4.12Å; Y179-H193 HydrophobicContact CE1-CB 3.76Å; Y179-L234 PolarHBondContact N-O 2.99Å; Y179-L234 PolarHBondContact O-N 2.57Å; Y179-W241 AromaticContact CD2-CH2 3.79Å; Y179-W241 HydrophobicContact CD2-CH2 3.79Å; Y179-W241 AromaticContact CD2-CZ3 3.79Å; Y179-W241 HydrophobicContact CD2-CZ3 3.79Å; Y179-W241 AromaticContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CZ3 4.23Å |
| 180 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.7 | 165.9 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | R191 I192 Y194 L225 S231 P232 L233 Y247 F273 | V180-R191 WeakPolarHBondContact O-CA 2.98Å; V180-I192 PolarHBondContact N-O 2.84Å; V180-I192 PolarHBondContact O-N 2.75Å; V180-Y194 HydrophobicContact CB-CD2 3.91Å; V180-Y194 HydrophobicContact CB-CE2 3.8Å; V180-Y194 HydrophobicContact CG2-CD2 3.35Å; V180-Y194 HydrophobicContact CG2-CE2 3.48Å; V180-Y194 VanDerWaalsContact CG2-CE2 3.48Å; V180-Y194 HydrophobicContact CG2-CG 4.02Å; V180-L225 HydrophobicContact CB-CD1 3.99Å; V180-L225 HydrophobicContact CG1-CD1 3.58Å; V180-S231 VanDerWaalsContact CG1-CB 3.46Å; V180-P232 WeakPolarHBondContact CA-O 3.24Å; V180-L233 HydrophobicContact CG2-CD1 4.24Å; V180-Y247 HydrophobicContact CG1-CD2 4.32Å; V180-Y247 HydrophobicContact CG2-CD2 4.45Å; V180-F273 HydrophobicContact CG2-CE1 3.42Å; V180-F273 VanDerWaalsContact CG2-CE1 3.42Å; V180-F273 HydrophobicContact CG2-CZ 3.72Å |
| 181 | S | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.5 | 179.4 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | G52 S54 S231 P232 | G52-S181 PolarHBondContact O-OG 2.83Å; S54-S181 PolarHBondContact N-OG 2.86Å; S181-S231 VanDerWaalsContact O-CB 3.23Å; S181-S231 WeakPolarHBondContact O-CB 3.49Å; S181-S231 PolarHBondContact O-OG 2.94Å; S181-P232 PolarHBondContact N-O 3.18Å |
| 182 | G | 93.4 | Very high | 93 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | -150.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P189 V190 | G182-P189 WeakPolarHBondContact O-CA 3.34Å; G182-V190 PolarHBondContact N-O 2.87Å; G182-V190 PolarHBondContact O-N 2.88Å; G182-V190 VanDerWaalsContact O-O 3.11Å |
| 183 | V | 91.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.9 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 111 | H57 L109 M188 L225 Q226 | H57-V183 WeakPolarHBondContact CE1-CG1 3.26Å; H57-V183 VanDerWaalsContact CE1-CG2 3.43Å; H57-V183 WeakPolarHBondContact CE1-CG2 2.81Å; H57-V183 WeakPolarHBondContact NE2-CG1 3.38Å; L109-V183 HydrophobicContact CB-CG1 4.2Å; L109-V183 HydrophobicContact CB-CG2 4.24Å; L109-V183 HydrophobicContact CD2-CG2 3.94Å; V183-M188 WeakPolarHBondContact CA-O 3.18Å; V183-L225 CarbonylContact O-C 3.51Å; V183-L225 WeakPolarHBondContact O-CA 3.12Å; V183-Q226 HydrophobicContact CG2-CB 4.32Å; V183-Q226 PolarHBondContact O-N 3.31Å |
| 184 | C | 91.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | trans | -96.8 | -177.9 | 171.7 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | C34 H186 G187 M188 V190 I224 | C34-C184 HydrophobicContact CB-CB 3.88Å; C34-C184 WeakPolarHBondContact CB-SG 3.22Å; C34-C184 WeakPolarHBondContact SG-CB 3.36Å; C34-C184 CovalentContact SG-SG 2.01Å; C34-C184 PolarHBondContact SG-SG 2.89Å; C184-H186 PolarHBondContact O-N 3.45Å; C184-G187 PolarHBondContact O-N 2.86Å; C184-M188 PolarHBondContact N-O 2.93Å; C184-V190 HydrophobicContact CB-CG1 3.96Å; C184-V190 HydrophobicContact CB-CG2 4.11Å; C184-I224 VanDerWaalsContact CA-O 3.23Å; C184-I224 WeakPolarHBondContact CA-O 3.35Å; C184-I224 VanDerWaalsContact CB-O 3.28Å; C184-I224 WeakPolarHBondContact CB-O 3.08Å | ||
| 185 | E | 88.4 | Confident | 93 | Very high | 132 Ų | 132 | 33.1 Ų | 33.1 | 62% | 0.617 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.3 | 178.3 | 69.5 | -177.6 | 161.1 | 0 | 0 | 112.7 | G187 Q226 | E185-G187 VanDerWaalsContact C-N 3.33Å; E185-Q226 HydrophobicContact CB-CG 4.33Å |
| 186 | H | 88.3 | Confident | 93.2 | Very high | 62 Ų | 62 | 30 Ų | 30 | 29% | 0.287 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -1.8 | -179.8 | -64.6 | 119.5 | 0 | 0 | 0 | 114.5 | C34 R111 C184 M188 | C34-H186 VanDerWaalsContact CB-ND1 3.29Å; C34-H186 WeakPolarHBondContact CB-ND1 3.48Å; C34-H186 PolarHBondContact O-CE1 2.66Å; C34-H186 PolarHBondContact O-ND1 2.94Å; C34-H186 VanDerWaalsContact O-ND1 3.07Å; R111-H186 VanDerWaalsContact CZ-CA 3.4Å; R111-H186 VanDerWaalsContact NE-C 3.29Å; R111-H186 PolarHBondContact NE-O 2.9Å; R111-H186 PolarHBondContact NH2-CD2 3.35Å; R111-H186 PolarHBondContact NH2-O 2.9Å; C184-H186 PolarHBondContact O-N 3.45Å; H186-M188 HydrophobicContact CB-CG 4.24Å; H186-M188 PolarHBondContact O-N 2.87Å |
| 187 | G | 86.8 | Confident | 93.3 | Very high | 6 Ų | 6 | 29 Ų | 29 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 76.4 | 4.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L108 L109 C184 E185 | L108-G187 WeakPolarHBondContact CA-O 3.46Å; L109-G187 PolarHBondContact N-O 3.14Å; L109-G187 WeakPolarHBondContact O-CA 3.45Å; C184-G187 PolarHBondContact O-N 2.86Å; E185-G187 VanDerWaalsContact C-N 3.33Å |
| 188 | M | 90.1 | Very high | 93.3 | Very high | 73 Ų | 73 | 28.9 Ų | 28.9 | 36% | 0.36 | 14% | 0.141 | S | C | . | . | trans | -84 | 143 | 179.8 | -58.6 | -56.7 | -65 | 0 | 0 | 110.8 | L108 V183 C184 H186 V190 | L108-M188 HydrophobicContact CD2-CE 3.63Å; L108-M188 HydrophobicContact CD2-SD 3.54Å; L108-M188 VanDerWaalsContact CD2-SD 3.54Å; V183-M188 WeakPolarHBondContact CA-O 3.18Å; C184-M188 PolarHBondContact N-O 2.93Å; H186-M188 HydrophobicContact CB-CG 4.24Å; H186-M188 PolarHBondContact O-N 2.87Å; M188-V190 PolarHBondContact O-N 3.47Å | ||
| 189 | P | 90.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 128.3 | 174.4 | 28 | -34.7 | 0 | 0 | 0 | 110.1 | L29 A53 A107 G182 | L29-P189 HydrophobicContact CD2-CB 4.12Å; L29-P189 HydrophobicContact CD2-CG 4.33Å; A53-P189 HydrophobicContact CB-CB 3.65Å; A53-P189 HydrophobicContact CB-CG 4.48Å; A107-P189 WeakPolarHBondContact O-CD 3.28Å; G182-P189 WeakPolarHBondContact O-CA 3.34Å |
| 190 | V | 92.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.4 | 177.4 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | C34 G182 C184 M188 I224 L225 | C34-V190 WeakPolarHBondContact SG-CG1 3.3Å; G182-V190 PolarHBondContact N-O 2.87Å; G182-V190 PolarHBondContact O-N 2.88Å; G182-V190 VanDerWaalsContact O-O 3.11Å; C184-V190 HydrophobicContact CB-CG1 3.96Å; C184-V190 HydrophobicContact CB-CG2 4.11Å; M188-V190 PolarHBondContact O-N 3.47Å; V190-I224 HydrophobicContact CG2-CG2 4.3Å; V190-L225 HydrophobicContact CG2-CD2 3.68Å |
| 191 | R | 91.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 128.5 | 174.1 | -15.8 | 111.2 | 83.5 | 87.8 | 72.9 | 110.2 | L29 P51 G52 Y179 V180 | L29-R191 VanDerWaalsContact CD1-NH1 3.34Å; P51-R191 VanDerWaalsContact C-CZ 3.46Å; P51-R191 VanDerWaalsContact N-NH2 3.16Å; P51-R191 PolarHBondContact O-NH1 2.93Å; P51-R191 PolarHBondContact O-NH2 2.99Å; G52-R191 PolarHBondContact O-NH2 2.93Å; Y179-R191 HydrophobicContact CD1-CB 4.23Å; V180-R191 WeakPolarHBondContact O-CA 2.98Å |
| 192 | I | 93.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.8 | -171.8 | -53.4 | -50.6 | 0 | 0 | 0 | 107.6 | Y179 V180 Y194 Q221 I224 L225 | Y179-I192 CarbonylContact C-O 3.53Å; Y179-I192 WeakPolarHBondContact CA-O 3.37Å; V180-I192 PolarHBondContact N-O 2.84Å; V180-I192 PolarHBondContact O-N 2.75Å; I192-Y194 HydrophobicContact CB-CD2 4.4Å; I192-Y194 HydrophobicContact CB-CE2 4.01Å; I192-Y194 HydrophobicContact CG2-CD2 4.27Å; I192-Y194 HydrophobicContact CG2-CE2 3.86Å; I192-Y194 WeakPolarHBondContact O-CD2 3.28Å; I192-Y194 PolarHBondContact O-N 2.76Å; I192-Q221 HydrophobicContact CG2-CB 3.9Å; I192-I224 HydrophobicContact CD1-CB 3.76Å; I192-I224 HydrophobicContact CD1-CD1 3.8Å; I192-I224 HydrophobicContact CD1-CG1 4.39Å; I192-I224 HydrophobicContact CD1-CG2 3.53Å; I192-I224 HydrophobicContact CG1-CB 4.3Å; I192-I224 HydrophobicContact CG1-CG2 4.42Å; I192-L225 HydrophobicContact CB-CD1 4.25Å; I192-L225 HydrophobicContact CG1-CD1 3.78Å; I192-L225 HydrophobicContact CG1-CD2 4.25Å; I192-L225 HydrophobicContact CG1-CG 3.68Å |
| 193 | H | 94.6 | Very high | 93.2 | Very high | 95 Ų | 95 | 41 Ų | 41 | 44% | 0.44 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 131.1 | 174 | 176.3 | -100.3 | 0 | 0 | 0 | 109.7 | C178 Y179 | C178-H193 PolarHBondContact O-CD2 3.34Å; Y179-H193 HydrophobicContact CD1-CB 4.12Å; Y179-H193 HydrophobicContact CE1-CB 3.76Å |
| 194 | Y | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.6 | 172.7 | -87.8 | -98.5 | 0 | 0 | 0 | 109.5 | C178 V180 I192 L196 V219 E269 A271 F273 | C178-Y194 PolarHBondContact O-N 3.38Å; V180-Y194 HydrophobicContact CB-CD2 3.91Å; V180-Y194 HydrophobicContact CB-CE2 3.8Å; V180-Y194 HydrophobicContact CG2-CD2 3.35Å; V180-Y194 HydrophobicContact CG2-CE2 3.48Å; V180-Y194 VanDerWaalsContact CG2-CE2 3.48Å; V180-Y194 HydrophobicContact CG2-CG 4.02Å; I192-Y194 HydrophobicContact CB-CD2 4.4Å; I192-Y194 HydrophobicContact CB-CE2 4.01Å; I192-Y194 HydrophobicContact CG2-CD2 4.27Å; I192-Y194 HydrophobicContact CG2-CE2 3.86Å; I192-Y194 WeakPolarHBondContact O-CD2 3.28Å; I192-Y194 PolarHBondContact O-N 2.76Å; Y194-L196 PolarHBondContact O-N 2.71Å; Y194-V219 WeakPolarHBondContact CA-O 3.3Å; Y194-E269 PolarHBondContact OH-OE1 3.34Å; Y194-A271 HydrophobicContact CD1-CB 4.34Å; Y194-A271 HydrophobicContact CE1-CB 3.56Å; Y194-F273 AromaticContact CD1-CE2 3.98Å; Y194-F273 HydrophobicContact CD1-CE2 3.98Å; Y194-F273 AromaticContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD2-CZ 4.48Å; Y194-F273 HydrophobicContact CE1-CE2 4.41Å; Y194-F273 AromaticContact CE1-CZ 3.84Å; Y194-F273 HydrophobicContact CE1-CZ 3.84Å; Y194-F273 AromaticContact CG-CZ 3.96Å; Y194-F273 HydrophobicContact CG-CZ 3.96Å |
| 195 | Q | 96.2 | Very high | 93.2 | Very high | 118 Ų | 118 | 50 Ų | 50 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 106.9 | 167.5 | -176.5 | 177.3 | 18.8 | 0 | 0 | 108.3 | G218 V219 | Q195-G218 CarbonylContact O-C 3.54Å; Q195-G218 WeakPolarHBondContact O-CA 3.43Å; Q195-V219 PolarHBondContact N-O 3.19Å; Q195-V219 PolarHBondContact O-N 3.26Å |
| 196 | L | 97.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 136.2 | 172.5 | -70.8 | -170.8 | 0 | 0 | 0 | 110.6 | A172 S174 C178 Y194 L233 F273 | A172-L196 HydrophobicContact CB-CD1 3.63Å; S174-L196 VanDerWaalsContact CA-O 3.32Å; S174-L196 WeakPolarHBondContact CA-O 3.47Å; S174-L196 WeakPolarHBondContact CB-O 3.45Å; C178-L196 HydrophobicContact CB-CD1 4.45Å; C178-L196 HydrophobicContact CB-CG 4.19Å; C178-L196 WeakPolarHBondContact SG-CD1 3.5Å; Y194-L196 PolarHBondContact O-N 2.71Å; L196-L233 HydrophobicContact CD1-CD2 4.35Å; L196-L233 HydrophobicContact CD2-CD1 4.23Å; L196-L233 HydrophobicContact CD2-CD2 3.97Å; L196-F273 HydrophobicContact CD2-CD2 4.45Å; L196-F273 HydrophobicContact CD2-CE2 4.41Å |
| 197 | L | 96.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -95.9 | 153.8 | 177.2 | -61 | -175.1 | 0 | 0 | 0 | 110.4 | Q201 C217 V219 | L197-Q201 HydrophobicContact CB-CB 3.94Å; L197-Q201 HydrophobicContact CD1-CB 4.36Å; L197-C217 PolarHBondContact N-O 3.41Å; L197-V219 HydrophobicContact CD1-CG2 3.83Å; L197-V219 HydrophobicContact CD2-CG2 4.03Å; L197-V219 HydrophobicContact CG-CG2 4.06Å |
| 198 | T | 96.7 | Very high | 93.1 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -67 | 155.9 | 170.7 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | T200 Q201 C202 | T198-T200 PolarHBondContact O-N 3.08Å; T198-T200 VanDerWaalsContact O-N 3.15Å; T198-Q201 PolarHBondContact O-N 2.83Å; T198-Q201 VanDerWaalsContact OG1-CG 3.3Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.22Å; T198-Q201 PolarHBondContact OG1-N 3.31Å; T198-Q201 PolarHBondContact OG1-OE1 2.7Å; T198-C202 PolarHBondContact O-N 3.19Å; T198-C202 PolarHBondContact O-SG 3.04Å |
| 199 | P | 95.4 | Very high | 92.7 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -51.5 | -39 | 175 | -31 | 37.5 | 0 | 0 | 0 | 113.9 | C202 A203 Y210 P212 | P199-C202 PolarHBondContact O-N 3.45Å; P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 3.13Å; P199-Y210 HydrophobicContact CB-CE1 4.19Å; P199-Y210 WeakPolarHBondContact O-CE1 3.44Å; P199-P212 HydrophobicContact CB-CB 4.09Å |
| 200 | T | 96.3 | Very high | 92.6 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 176.5 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | T198 A203 Q204 | T198-T200 PolarHBondContact O-N 3.08Å; T198-T200 VanDerWaalsContact O-N 3.15Å; T200-A203 PolarHBondContact O-N 2.83Å; T200-Q204 VanDerWaalsContact O-CG 3.27Å; T200-Q204 WeakPolarHBondContact O-CG 3.01Å; T200-Q204 PolarHBondContact O-N 3.06Å |
| 201 | Q | 95.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 56.9 Ų | 56.9 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.9 | -73.2 | 166.1 | -44.6 | 0 | 0 | 111.4 | L197 T198 A203 Q204 H205 | L197-Q201 HydrophobicContact CB-CB 3.94Å; L197-Q201 HydrophobicContact CD1-CB 4.36Å; T198-Q201 PolarHBondContact O-N 2.83Å; T198-Q201 VanDerWaalsContact OG1-CG 3.3Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.22Å; T198-Q201 PolarHBondContact OG1-N 3.31Å; T198-Q201 PolarHBondContact OG1-OE1 2.7Å; Q201-A203 PolarHBondContact O-N 2.9Å; Q201-Q204 WeakPolarHBondContact O-CB 3.49Å; Q201-Q204 PolarHBondContact O-N 3.07Å; Q201-H205 PolarHBondContact O-CD2 3.36Å; Q201-H205 PolarHBondContact O-N 2.93Å |
| 202 | C | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -47.3 | 174.9 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | T198 P199 Q204 H205 L206 Y210 C217 | T198-C202 PolarHBondContact O-N 3.19Å; T198-C202 PolarHBondContact O-SG 3.04Å; P199-C202 PolarHBondContact O-N 3.45Å; C202-Q204 VanDerWaalsContact C-N 3.32Å; C202-Q204 PolarHBondContact O-N 3.24Å; C202-H205 PolarHBondContact O-N 3.27Å; C202-H205 VanDerWaalsContact O-N 3.15Å; C202-L206 WeakPolarHBondContact O-CB 3.49Å; C202-L206 PolarHBondContact O-N 3.37Å; C202-Y210 HydrophobicContact CB-CD1 3.51Å; C202-Y210 HydrophobicContact CB-CD2 3.68Å; C202-Y210 HydrophobicContact CB-CE1 3.36Å; C202-Y210 HydrophobicContact CB-CE2 3.55Å; C202-Y210 HydrophobicContact CB-CG 3.65Å; C202-C217 WeakPolarHBondContact CA-SG 3.36Å; C202-C217 HydrophobicContact CB-CB 3.97Å; C202-C217 WeakPolarHBondContact CB-SG 3.38Å; C202-C217 WeakPolarHBondContact SG-CB 3.33Å; C202-C217 CovalentContact SG-SG 2.02Å; C202-C217 PolarHBondContact SG-SG 2.9Å |
| 203 | A | 93.5 | Very high | 92.3 | Very high | 46 Ų | 46 | 66 Ų | 66 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P199 T200 Q201 H205 G207 Y210 | P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 3.13Å; T200-A203 PolarHBondContact O-N 2.83Å; Q201-A203 PolarHBondContact O-N 2.9Å; A203-H205 VanDerWaalsContact C-N 3.32Å; A203-H205 PolarHBondContact O-N 2.84Å; A203-G207 VanDerWaalsContact O-CA 3.25Å; A203-G207 WeakPolarHBondContact O-CA 3.37Å; A203-G207 PolarHBondContact O-N 3.08Å; A203-Y210 HydrophobicContact CB-CD1 4.22Å |
| 204 | Q | 93.7 | Very high | 92 | Very high | 139 Ų | 139 | 62.1 Ų | 62.1 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 174.3 | -73.8 | 169.6 | -8.5 | 0 | 0 | 112.5 | T200 Q201 C202 | T200-Q204 VanDerWaalsContact O-CG 3.27Å; T200-Q204 WeakPolarHBondContact O-CG 3.01Å; T200-Q204 PolarHBondContact O-N 3.06Å; Q201-Q204 WeakPolarHBondContact O-CB 3.49Å; Q201-Q204 PolarHBondContact O-N 3.07Å; C202-Q204 VanDerWaalsContact C-N 3.32Å; C202-Q204 PolarHBondContact O-N 3.24Å |
| 205 | H | 90.2 | Very high | 91.9 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -82.1 | -32.9 | -178 | -74.4 | -61.7 | 0 | 0 | 0 | 114.1 | Q201 C202 A203 R253 I270 | Q201-H205 PolarHBondContact O-CD2 3.36Å; Q201-H205 PolarHBondContact O-N 2.93Å; C202-H205 PolarHBondContact O-N 3.27Å; C202-H205 VanDerWaalsContact O-N 3.15Å; A203-H205 VanDerWaalsContact C-N 3.32Å; A203-H205 PolarHBondContact O-N 2.84Å; H205-R253 PolarHBondContact O-NH1 2.92Å; H205-I270 HydrophobicContact CB-CD1 3.67Å |
| 206 | L | 88.5 | Confident | 91.9 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -117.2 | -13.8 | -167.5 | -59.8 | 179.1 | 0 | 0 | 0 | 113.8 | C202 K209 Y210 C217 F251 I270 L272 | C202-L206 WeakPolarHBondContact O-CB 3.49Å; C202-L206 PolarHBondContact O-N 3.37Å; L206-K209 PolarHBondContact O-N 3.16Å; L206-Y210 HydrophobicContact CD1-CD2 4.4Å; L206-C217 HydrophobicContact CD1-CB 4.04Å; L206-F251 HydrophobicContact CD1-CE2 4.32Å; L206-F251 HydrophobicContact CD2-CD2 3.33Å; L206-F251 HydrophobicContact CD2-CE2 3.6Å; L206-F251 HydrophobicContact CD2-CG 4.01Å; L206-F251 HydrophobicContact CD2-CZ 4.49Å; L206-I270 HydrophobicContact CD1-CG2 4.34Å; L206-I270 HydrophobicContact CD2-CG2 4.23Å; L206-I270 HydrophobicContact CG-CG2 4.48Å; L206-L272 HydrophobicContact CD1-CD1 4.38Å; L206-L272 HydrophobicContact CD1-CD2 3.47Å; L206-L272 VanDerWaalsContact CD1-CD2 3.47Å; L206-L272 HydrophobicContact CD1-CG 3.95Å |
| 207 | G | 87.8 | Confident | 91.8 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | 59.2 | -140.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A203 K209 Y210 | A203-G207 VanDerWaalsContact O-CA 3.25Å; A203-G207 WeakPolarHBondContact O-CA 3.37Å; A203-G207 PolarHBondContact O-N 3.08Å; G207-K209 PolarHBondContact O-N 3.45Å; G207-K209 VanDerWaalsContact O-N 3.1Å; G207-Y210 PolarHBondContact O-N 2.78Å; G207-Y210 VanDerWaalsContact O-N 3.09Å |
| 208 | E | 84.3 | Confident | 91.8 | Very high | 176 Ų | 176 | 56.3 Ų | 56.3 | 82% | 0.822 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -62.4 | -16.8 | -177.7 | -61.8 | -179.2 | 160.1 | 0 | 0 | 114 | Y210 | E208-Y210 PolarHBondContact O-N 2.61Š|
| 209 | K | 82 | Confident | 91.7 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -72 | -16.1 | 176.1 | -59.8 | -176.6 | 179.7 | -176.6 | 0 | 113.1 | L206 G207 F251 | L206-K209 PolarHBondContact O-N 3.16Å; G207-K209 PolarHBondContact O-N 3.45Å; G207-K209 VanDerWaalsContact O-N 3.1Å; K209-F251 HydrophobicContact CD-CE1 4.17Å; K209-F251 HydrophobicContact CD-CZ 4.25Å |
| 210 | Y | 89 | Confident | 91.5 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 6% | 0.059 | 28% | 0.278 | C | S | . | . | trans | -96.6 | 124.9 | 178.1 | 173.1 | -109.3 | 0 | 0 | 0 | 111.2 | P199 C202 A203 L206 G207 E208 P212 M215 C217 L272 | P199-Y210 HydrophobicContact CB-CE1 4.19Å; P199-Y210 WeakPolarHBondContact O-CE1 3.44Å; C202-Y210 HydrophobicContact CB-CD1 3.51Å; C202-Y210 HydrophobicContact CB-CD2 3.68Å; C202-Y210 HydrophobicContact CB-CE1 3.36Å; C202-Y210 HydrophobicContact CB-CE2 3.55Å; C202-Y210 HydrophobicContact CB-CG 3.65Å; A203-Y210 HydrophobicContact CB-CD1 4.22Å; L206-Y210 HydrophobicContact CD1-CD2 4.4Å; G207-Y210 PolarHBondContact O-N 2.78Å; G207-Y210 VanDerWaalsContact O-N 3.09Å; E208-Y210 PolarHBondContact O-N 2.61Å; Y210-P212 HydrophobicContact CE1-CB 3.67Å; Y210-P212 HydrophobicContact CE1-CG 4.34Å; Y210-P212 WeakPolarHBondContact OH-CA 2.88Å; Y210-M215 HydrophobicContact CD2-CB 4.1Å; Y210-M215 HydrophobicContact CD2-SD 4.48Å; Y210-M215 HydrophobicContact CE2-CB 3.9Å; Y210-M215 WeakPolarHBondContact CE2-O 3.25Å; Y210-M215 PolarHBondContact OH-O 2.99Å; Y210-C217 HydrophobicContact CE2-CB 4.46Å; Y210-L272 HydrophobicContact CD2-CD2 4.03Å | ||
| 211 | L | 90 | Very high | 91.2 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | trans | -116.7 | 105.8 | 177 | -67.9 | -178.9 | 0 | 0 | 0 | 110.6 | L140 N213 V214 M215 | L140-L211 HydrophobicContact CD1-CD1 3.18Å; L140-L211 HydrophobicContact CD2-CD1 4.16Å; L140-L211 HydrophobicContact CG-CD1 4.18Å; L211-N213 PolarHBondContact O-N 2.8Å; L211-N213 VanDerWaalsContact O-N 3.14Å; L211-V214 HydrophobicContact CB-CG2 3.61Å; L211-V214 HydrophobicContact CD1-CG2 4.31Å; L211-V214 PolarHBondContact O-N 3.43Å; L211-V214 VanDerWaalsContact O-N 3.08Å; L211-M215 HydrophobicContact CB-CE 4.21Å; L211-M215 HydrophobicContact CB-CG 4.48Å; L211-M215 HydrophobicContact CG-CE 4.5Å; L211-M215 WeakPolarHBondContact O-CG 3.26Å; L211-M215 PolarHBondContact O-N 2.84Å | ||
| 212 | P | 91.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.5 | -169.4 | 24.9 | -34.8 | 0 | 0 | 0 | 114.3 | P199 Y210 V214 K275 | P199-P212 HydrophobicContact CB-CB 4.09Å; Y210-P212 HydrophobicContact CE1-CB 3.67Å; Y210-P212 HydrophobicContact CE1-CG 4.34Å; Y210-P212 WeakPolarHBondContact OH-CA 2.88Å; P212-V214 VanDerWaalsContact C-N 3.29Å; P212-K275 WeakPolarHBondContact O-CE 2.99Å; P212-K275 PolarHBondContact O-NZ 2.01Å |
| 213 | N | 89.4 | Confident | 90.2 | Very high | 141 Ų | 141 | 54 Ų | 54 | 75% | 0.754 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -21.5 | 178.9 | -65.8 | -18.3 | 0 | 0 | 0 | 112.3 | L211 | L211-N213 PolarHBondContact O-N 2.8Å; L211-N213 VanDerWaalsContact O-N 3.14Å |
| 214 | V | 89.3 | Confident | 90 | Very high | 14 Ų | 14 | 53 Ų | 53 | 9% | 0.085 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | -12 | -165.8 | -39.8 | 0 | 0 | 0 | 0 | 112.4 | Y134 L211 P212 K275 | Y134-V214 HydrophobicContact CD1-CG1 4.43Å; Y134-V214 HydrophobicContact CD2-CG2 4.33Å; Y134-V214 HydrophobicContact CE1-CB 4.18Å; Y134-V214 HydrophobicContact CE1-CG1 3.5Å; Y134-V214 HydrophobicContact CE2-CB 3.57Å; Y134-V214 HydrophobicContact CE2-CG1 3.88Å; Y134-V214 HydrophobicContact CE2-CG2 3.84Å; Y134-V214 VanDerWaalsContact CZ-CB 3.4Å; Y134-V214 VanDerWaalsContact OH-CB 3.23Å; Y134-V214 WeakPolarHBondContact OH-CB 3.36Å; Y134-V214 WeakPolarHBondContact OH-CG1 3.21Å; L211-V214 HydrophobicContact CB-CG2 3.61Å; L211-V214 HydrophobicContact CD1-CG2 4.31Å; L211-V214 PolarHBondContact O-N 3.43Å; L211-V214 VanDerWaalsContact O-N 3.08Å; P212-V214 VanDerWaalsContact C-N 3.29Å; V214-K275 PolarHBondContact O-N 2.94Å |
| 215 | M | 92.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.8 | -177.9 | -43.8 | -173.1 | -176.1 | 0 | 0 | 113.3 | L140 M143 Y210 L211 L272 F273 K275 | L140-M215 HydrophobicContact CD2-CE 3.06Å; L140-M215 HydrophobicContact CG-CE 4.45Å; M143-M215 HydrophobicContact CE-CB 4.39Å; M143-M215 HydrophobicContact CE-CE 4.04Å; M143-M215 HydrophobicContact CE-CG 3.63Å; M143-M215 HydrophobicContact CE-SD 4Å; M143-M215 HydrophobicContact SD-CE 3.3Å; M143-M215 WeakPolarHBondContact SD-CE 3.2Å; M143-M215 HydrophobicContact SD-CG 4.18Å; M143-M215 HydrophobicContact SD-SD 3.9Å; Y210-M215 HydrophobicContact CD2-CB 4.1Å; Y210-M215 HydrophobicContact CD2-SD 4.48Å; Y210-M215 HydrophobicContact CE2-CB 3.9Å; Y210-M215 WeakPolarHBondContact CE2-O 3.25Å; Y210-M215 PolarHBondContact OH-O 2.99Å; L211-M215 HydrophobicContact CB-CE 4.21Å; L211-M215 HydrophobicContact CB-CG 4.48Å; L211-M215 HydrophobicContact CG-CE 4.5Å; L211-M215 WeakPolarHBondContact O-CG 3.26Å; L211-M215 PolarHBondContact O-N 2.84Å; M215-L272 HydrophobicContact CB-CD2 4.19Å; M215-L272 HydrophobicContact SD-CD1 3.69Å; M215-L272 HydrophobicContact SD-CD2 3.72Å; M215-L272 HydrophobicContact SD-CG 4.26Å; M215-F273 CarbonylContact C-O 3.47Å; M215-F273 WeakPolarHBondContact CA-O 3.47Å; M215-K275 VanDerWaalsContact O-CE 3.3Å; M215-K275 WeakPolarHBondContact O-CE 3.46Å |
| 216 | Y | 96.5 | Very high | 89.9 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 7% | 0.071 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 157.4 | 150.1 | -56.3 | -70.5 | 0 | 0 | 0 | 109.4 | S171 A172 L233 F244 F273 K275 | S171-Y216 VanDerWaalsContact CA-OH 3.31Å; S171-Y216 WeakPolarHBondContact CA-OH 3.2Å; S171-Y216 WeakPolarHBondContact CB-OH 3.42Å; A172-Y216 HydrophobicContact CB-CD1 4.43Å; A172-Y216 HydrophobicContact CB-CE1 3.9Å; A172-Y216 HydrophobicContact CB-CE2 4.23Å; A172-Y216 PolarHBondContact N-OH 2.94Å; A172-Y216 WeakPolarHBondContact O-CE1 3.49Å; Y216-L233 HydrophobicContact CD2-CD2 4.04Å; Y216-L233 HydrophobicContact CG-CD2 4.47Å; Y216-F244 HydrophobicContact CE2-CB 4.1Å; Y216-F244 WeakPolarHBondContact CE2-O 3.44Å; Y216-F273 PolarHBondContact N-O 2.75Å; Y216-F273 PolarHBondContact O-N 3.38Å; Y216-K275 HydrophobicContact CD2-CG 3.74Å; Y216-K275 HydrophobicContact CE1-CD 4.16Å; Y216-K275 HydrophobicContact CE1-CG 4.4Å; Y216-K275 HydrophobicContact CE2-CB 4.07Å; Y216-K275 HydrophobicContact CE2-CD 3.97Å; Y216-K275 HydrophobicContact CE2-CG 3.47Å; Y216-K275 VanDerWaalsContact CE2-CG 3.47Å; Y216-K275 HydrophobicContact CG-CG 4.31Å |
| 217 | C | 95.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.1 | 162 | 90 | 0 | 0 | 0 | 0 | 110 | L197 C202 L206 Y210 I270 A271 L272 | L197-C217 PolarHBondContact N-O 3.41Å; C202-C217 WeakPolarHBondContact CA-SG 3.36Å; C202-C217 HydrophobicContact CB-CB 3.97Å; C202-C217 WeakPolarHBondContact CB-SG 3.38Å; C202-C217 WeakPolarHBondContact SG-CB 3.33Å; C202-C217 CovalentContact SG-SG 2.02Å; C202-C217 PolarHBondContact SG-SG 2.9Å; L206-C217 HydrophobicContact CD1-CB 4.04Å; Y210-C217 HydrophobicContact CE2-CB 4.46Å; C217-I270 HydrophobicContact CB-CG2 4.39Å; C217-A271 WeakPolarHBondContact CA-O 3.47Å; C217-L272 HydrophobicContact CB-CD2 3.83Å |
| 218 | G | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q195 I270 A271 | Q195-G218 CarbonylContact O-C 3.54Å; Q195-G218 WeakPolarHBondContact O-CA 3.43Å; G218-I270 WeakPolarHBondContact O-CA 3.35Å; G218-A271 PolarHBondContact N-O 2.84Å; G218-A271 PolarHBondContact O-N 3.03Å |
| 219 | V | 94.6 | Very high | 90.9 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.4 | 178.2 | -173 | 0 | 0 | 0 | 0 | 108.8 | Y194 Q195 L197 M255 E269 I270 | Y194-V219 WeakPolarHBondContact CA-O 3.3Å; Q195-V219 PolarHBondContact N-O 3.19Å; Q195-V219 PolarHBondContact O-N 3.26Å; L197-V219 HydrophobicContact CD1-CG2 3.83Å; L197-V219 HydrophobicContact CD2-CG2 4.03Å; L197-V219 HydrophobicContact CG-CG2 4.06Å; V219-M255 HydrophobicContact CB-CE 4.41Å; V219-M255 HydrophobicContact CG1-CE 4.01Å; V219-M255 HydrophobicContact CG1-SD 4.23Å; V219-M255 HydrophobicContact CG2-CE 3.46Å; V219-M255 VanDerWaalsContact CG2-CE 3.46Å; V219-E269 WeakPolarHBondContact CA-O 3.35Å; V219-I270 HydrophobicContact CG2-CG1 4.4Å |
| 220 | G | 92.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 173.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R268 E269 | G220-R268 WeakPolarHBondContact O-CA 3.32Å; G220-E269 PolarHBondContact N-O 3.47Å; G220-E269 PolarHBondContact O-N 3.27Å |
| 221 | Q | 89.1 | Confident | 92 | Very high | 44 Ų | 44 | 37 Ų | 37 | 21% | 0.206 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.2 | 169.6 | -70.4 | 170.4 | -14.4 | 0 | 0 | 109.3 | I192 I224 E266 | I192-Q221 HydrophobicContact CG2-CB 3.9Å; Q221-I224 HydrophobicContact CB-CD1 3.67Å; Q221-I224 HydrophobicContact CG-CD1 4.34Å; Q221-E266 PolarHBondContact NE2-OE2 2.97Å |
| 222 | K | 85.1 | Confident | 92.3 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | trans | -88.1 | 164.3 | 177.1 | -166.5 | -177.8 | 175.2 | -140.2 | 0 | 110.1 | I224 N252 P267 E269 | K222-I224 PolarHBondContact O-N 3.47Å; K222-N252 VanDerWaalsContact CE-OD1 3.23Å; K222-N252 WeakPolarHBondContact CE-OD1 3.31Å; K222-N252 PolarHBondContact NZ-OD1 2.8Å; K222-P267 HydrophobicContact CB-CB 4.08Å; K222-P267 HydrophobicContact CB-CG 4.28Å; K222-P267 VanDerWaalsContact CB-O 3.3Å; K222-P267 WeakPolarHBondContact CB-O 3.33Å; K222-P267 PolarHBondContact N-O 3.41Å; K222-E269 HydrophobicContact CB-CB 4.08Å; K222-E269 HydrophobicContact CB-CG 4.06Å; K222-E269 HydrophobicContact CD-CB 4.15Å; K222-E269 HydrophobicContact CG-CB 4.14Å; K222-E269 HydrophobicContact CG-CG 4.24Å; K222-E269 WeakPolarHBondContact CG-OE2 3.47Å | ||
| 223 | E | 83.9 | Confident | 92.6 | Very high | 130 Ų | 130 | 31.8 Ų | 31.8 | 61% | 0.607 | 16% | 0.16 | S | C | * | . | S | Bend | trans | 66.4 | 7.9 | 167.1 | -77.9 | 153.9 | -145.5 | 0 | 0 | 115.4 | P267 | E223-P267 HydrophobicContact CB-CG 4.33Š|
| 224 | I | 88.8 | Confident | 93 | Very high | 27 Ų | 27 | 25.1 Ų | 25.1 | 14% | 0.138 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -90.8 | -43.2 | 170.7 | -56.6 | 171 | 0 | 0 | 0 | 111.1 | C184 V190 I192 Q221 K222 | C184-I224 VanDerWaalsContact CA-O 3.23Å; C184-I224 WeakPolarHBondContact CA-O 3.35Å; C184-I224 VanDerWaalsContact CB-O 3.28Å; C184-I224 WeakPolarHBondContact CB-O 3.08Å; V190-I224 HydrophobicContact CG2-CG2 4.3Å; I192-I224 HydrophobicContact CD1-CB 3.76Å; I192-I224 HydrophobicContact CD1-CD1 3.8Å; I192-I224 HydrophobicContact CD1-CG1 4.39Å; I192-I224 HydrophobicContact CD1-CG2 3.53Å; I192-I224 HydrophobicContact CG1-CB 4.3Å; I192-I224 HydrophobicContact CG1-CG2 4.42Å; Q221-I224 HydrophobicContact CB-CD1 3.67Å; Q221-I224 HydrophobicContact CG-CD1 4.34Å; K222-I224 PolarHBondContact O-N 3.47Å |
| 225 | L | 91.5 | Very high | 93.4 | Very high | 17 Ų | 17 | 24.4 Ų | 24.4 | 9% | 0.089 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -80.4 | 134.1 | 179.6 | -70.3 | 163 | 0 | 0 | 0 | 111 | V180 V183 V190 I192 P228 | V180-L225 HydrophobicContact CB-CD1 3.99Å; V180-L225 HydrophobicContact CG1-CD1 3.58Å; V183-L225 CarbonylContact O-C 3.51Å; V183-L225 WeakPolarHBondContact O-CA 3.12Å; V190-L225 HydrophobicContact CG2-CD2 3.68Å; I192-L225 HydrophobicContact CB-CD1 4.25Å; I192-L225 HydrophobicContact CG1-CD1 3.78Å; I192-L225 HydrophobicContact CG1-CD2 4.25Å; I192-L225 HydrophobicContact CG1-CG 3.68Å; L225-P228 HydrophobicContact CB-CB 3.92Å; L225-P228 HydrophobicContact CD1-CB 4.29Å |
| 226 | Q | 90.9 | Very high | 93.5 | Very high | 66 Ų | 66 | 26 Ų | 26 | 31% | 0.308 | 13% | 0.127 | S | C | . | . | B | Isolated β-bridge | trans | -96.4 | 135.7 | 168.8 | -61.8 | -61.7 | -46.4 | 0 | 0 | 109.4 | V183 E185 | V183-Q226 HydrophobicContact CG2-CB 4.32Å; V183-Q226 PolarHBondContact O-N 3.31Å; E185-Q226 HydrophobicContact CB-CG 4.33Å |
| 227 | H | 92.2 | Very high | 93.3 | Very high | 65 Ų | 65 | 26.3 Ų | 26.3 | 30% | 0.301 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 51 | 46.7 | -179.1 | -44.2 | 98.1 | 0 | 0 | 0 | 113.4 | A68 T71 I229 | A68-H227 PolarHBondContact O-CD2 2.84Å; T71-H227 PolarHBondContact N-O 2.87Å; T71-H227 VanDerWaalsContact N-O 3.17Å; T71-H227 PolarHBondContact OG1-O 2.92Å; H227-I229 PolarHBondContact O-N 2.9Å; H227-I229 VanDerWaalsContact O-N 3.08Å |
| 228 | P | 94.8 | Very high | 93 | Very high | 27 Ų | 27 | 32.2 Ų | 32.2 | 18% | 0.175 | 17% | 0.173 | C | C | . | . | trans | -64.9 | -17.4 | -171.4 | 28 | -36.7 | 0 | 0 | 0 | 113.9 | L225 G230 S231 Y247 | L225-P228 HydrophobicContact CB-CB 3.92Å; L225-P228 HydrophobicContact CD1-CB 4.29Å; P228-G230 PolarHBondContact O-N 2.81Å; P228-S231 WeakPolarHBondContact O-CB 3.29Å; P228-S231 PolarHBondContact O-N 2.89Å; P228-S231 PolarHBondContact O-OG 2.79Å; P228-Y247 HydrophobicContact CB-CD1 4.04Å; P228-Y247 HydrophobicContact CB-CD2 4.33Å; P228-Y247 HydrophobicContact CB-CE1 3.96Å; P228-Y247 HydrophobicContact CB-CE2 4.24Å; P228-Y247 HydrophobicContact CB-CG 4.24Å; P228-Y247 HydrophobicContact CG-CD1 4.39Å; P228-Y247 HydrophobicContact CG-CE1 3.9Å; P228-Y247 VanDerWaalsContact O-CB 3.3Å; P228-Y247 WeakPolarHBondContact O-CB 3.38Å; P228-Y247 WeakPolarHBondContact O-CD1 3.36Å | ||
| 229 | I | 95.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 34.6 Ų | 34.6 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 129.1 | 174.9 | -59.8 | -179 | 0 | 0 | 0 | 108.6 | C70 T71 A89 R91 C92 H227 S231 D248 | C70-I229 VanDerWaalsContact CB-O 3.26Å; C70-I229 WeakPolarHBondContact CB-O 3.15Å; T71-I229 PolarHBondContact N-O 3.39Å; A89-I229 HydrophobicContact CB-CG2 3.93Å; R91-I229 HydrophobicContact CG-CG2 3.65Å; C92-I229 HydrophobicContact CB-CG2 4.43Å; H227-I229 PolarHBondContact O-N 2.9Å; H227-I229 VanDerWaalsContact O-N 3.08Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.84Å; I229-D248 WeakPolarHBondContact CG1-O 3.35Å |
| 230 | G | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | T71 T88 P228 Y247 | T71-G230 CarbonylContact O-C 3.58Å; T71-G230 VanDerWaalsContact O-CA 3.22Å; T71-G230 WeakPolarHBondContact O-CA 3.36Å; T88-G230 WeakPolarHBondContact OG1-CA 3.26Å; P228-G230 PolarHBondContact O-N 2.81Å; G230-Y247 PolarHBondContact N-O 2.97Å |
| 231 | S | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -63.4 | 142.1 | 175.2 | -76.8 | 0 | 0 | 0 | 0 | 112 | T71 V180 S181 P228 I229 I246 Y247 | T71-S231 WeakPolarHBondContact CB-OG 3.29Å; T71-S231 WeakPolarHBondContact CG2-OG 3.31Å; V180-S231 VanDerWaalsContact CG1-CB 3.46Å; S181-S231 VanDerWaalsContact O-CB 3.23Å; S181-S231 WeakPolarHBondContact O-CB 3.49Å; S181-S231 PolarHBondContact O-OG 2.94Å; P228-S231 WeakPolarHBondContact O-CB 3.29Å; P228-S231 PolarHBondContact O-N 2.89Å; P228-S231 PolarHBondContact O-OG 2.79Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.84Å; S231-I246 WeakPolarHBondContact O-CA 3.36Å; S231-Y247 PolarHBondContact O-N 3Å | ||
| 232 | P | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 136 | 178.8 | 31.1 | -36.1 | 0 | 0 | 0 | 111.9 | T73 V180 S181 L234 Q243 | T73-P232 HydrophobicContact CG2-CB 3.48Å; T73-P232 VanDerWaalsContact CG2-CB 3.48Å; T73-P232 HydrophobicContact CG2-CG 3.36Å; V180-P232 WeakPolarHBondContact CA-O 3.24Å; S181-P232 PolarHBondContact N-O 3.18Å; P232-L234 HydrophobicContact CB-CD2 3.78Å; P232-L234 HydrophobicContact CB-CG 4.11Å; P232-L234 HydrophobicContact CG-CD1 4.43Å; P232-L234 HydrophobicContact CG-CD2 4.19Å; P232-L234 HydrophobicContact CG-CG 4.19Å; P232-L234 PolarHBondContact O-N 2.75Å; P232-Q243 HydrophobicContact CB-CB 4.49Å; P232-Q243 HydrophobicContact CB-CG 3.76Å |
| 233 | L | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 104.4 | 161.3 | 176.7 | 68.6 | 0 | 0 | 0 | 108.5 | C178 V180 L196 Y216 Q243 F244 G245 F273 | C178-L233 HydrophobicContact CB-CD1 3.98Å; V180-L233 HydrophobicContact CG2-CD1 4.24Å; L196-L233 HydrophobicContact CD1-CD2 4.35Å; L196-L233 HydrophobicContact CD2-CD1 4.23Å; L196-L233 HydrophobicContact CD2-CD2 3.97Å; Y216-L233 HydrophobicContact CD2-CD2 4.04Å; Y216-L233 HydrophobicContact CG-CD2 4.47Å; L233-Q243 WeakPolarHBondContact O-CA 3.33Å; L233-F244 PolarHBondContact O-N 3.07Å; L233-G245 PolarHBondContact N-O 2.91Å; L233-F273 HydrophobicContact CB-CD1 3.72Å; L233-F273 HydrophobicContact CB-CE1 4.13Å; L233-F273 HydrophobicContact CB-CG 4.23Å; L233-F273 HydrophobicContact CD1-CD1 4.24Å; L233-F273 HydrophobicContact CD1-CE1 4.02Å; L233-F273 HydrophobicContact CD1-CE2 4.34Å; L233-F273 HydrophobicContact CD1-CZ 4.07Å; L233-F273 HydrophobicContact CD2-CB 3.98Å; L233-F273 HydrophobicContact CD2-CD1 4.11Å; L233-F273 HydrophobicContact CD2-CD2 4.04Å; L233-F273 HydrophobicContact CD2-CG 3.77Å; L233-F273 HydrophobicContact CG-CD1 4.24Å; L233-F273 HydrophobicContact CG-CE1 4.49Å; L233-F273 HydrophobicContact CG-CG 4.39Å |
| 234 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119 | -178.8 | -56.3 | 177.4 | 0 | 0 | 0 | 109.4 | P51 F163 C178 Y179 P232 W241 T242 Q243 | P51-L234 HydrophobicContact CB-CD1 3.61Å; P51-L234 HydrophobicContact CG-CB 4.25Å; P51-L234 HydrophobicContact CG-CD1 3.91Å; F163-L234 HydrophobicContact CB-CD2 3.81Å; F163-L234 HydrophobicContact CD1-CD1 4.16Å; F163-L234 HydrophobicContact CD1-CD2 3.69Å; F163-L234 HydrophobicContact CD2-CD1 4.13Å; F163-L234 HydrophobicContact CD2-CD2 3.5Å; F163-L234 VanDerWaalsContact CD2-CD2 3.5Å; F163-L234 HydrophobicContact CD2-CG 4.46Å; F163-L234 HydrophobicContact CE1-CD1 3.69Å; F163-L234 HydrophobicContact CE1-CD2 4.11Å; F163-L234 HydrophobicContact CE2-CD1 3.67Å; F163-L234 HydrophobicContact CE2-CD2 3.95Å; F163-L234 HydrophobicContact CE2-CG 4.45Å; F163-L234 HydrophobicContact CG-CD1 4.35Å; F163-L234 HydrophobicContact CG-CD2 3.34Å; F163-L234 HydrophobicContact CG-CG 4.49Å; F163-L234 HydrophobicContact CZ-CD1 3.42Å; F163-L234 VanDerWaalsContact CZ-CD1 3.42Å; F163-L234 HydrophobicContact CZ-CD2 4.22Å; F163-L234 HydrophobicContact CZ-CG 4.48Å; C178-L234 CarbonylContact C-O 3.53Å; C178-L234 WeakPolarHBondContact CA-O 3.5Å; Y179-L234 PolarHBondContact N-O 2.99Å; Y179-L234 PolarHBondContact O-N 2.57Å; P232-L234 HydrophobicContact CB-CD2 3.78Å; P232-L234 HydrophobicContact CB-CG 4.11Å; P232-L234 HydrophobicContact CG-CD1 4.43Å; P232-L234 HydrophobicContact CG-CD2 4.19Å; P232-L234 HydrophobicContact CG-CG 4.19Å; P232-L234 PolarHBondContact O-N 2.75Å; L234-W241 HydrophobicContact CB-CE3 4.39Å; L234-T242 WeakPolarHBondContact CA-O 3.32Å; L234-Q243 HydrophobicContact CD2-CB 3.96Å |
| 235 | C | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.9 | 174.4 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | M176 P177 C178 S237 T242 F244 | M176-C235 HydrophobicContact CB-CB 4.26Å; M176-C235 HydrophobicContact SD-CB 4.42Å; P177-C235 VanDerWaalsContact O-CA 3.31Å; P177-C235 WeakPolarHBondContact O-CA 3.23Å; C178-C235 HydrophobicContact CB-CB 4.16Å; C178-C235 WeakPolarHBondContact CB-SG 3.23Å; C178-C235 WeakPolarHBondContact SG-CB 3.47Å; C178-C235 CovalentContact SG-SG 2.05Å; C178-C235 PolarHBondContact SG-SG 3.48Å; C235-S237 PolarHBondContact O-N 3.43Å; C235-T242 PolarHBondContact N-O 2.86Å; C235-T242 PolarHBondContact O-N 3.16Å; C235-F244 HydrophobicContact CB-CD2 3.66Å; C235-F244 HydrophobicContact CB-CE2 3.97Å |
| 236 | E | 94.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 31 Ų | 31 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 117.1 | 173.9 | -171.1 | 174.4 | -156.7 | 0 | 0 | 109.4 | S47 S48 P177 W241 | S47-E236 VanDerWaalsContact OG-CD 3.27Å; S47-E236 PolarHBondContact OG-OE1 3.03Å; S47-E236 PolarHBondContact OG-OE2 2.8Å; S48-E236 PolarHBondContact OG-OE1 2.86Å; P177-E236 HydrophobicContact CG-CB 4.42Å; P177-E236 PolarHBondContact O-N 3.16Å; E236-W241 HydrophobicContact CB-CD2 4.42Å; E236-W241 HydrophobicContact CB-CE3 4.01Å; E236-W241 HydrophobicContact CB-CH2 3.77Å; E236-W241 HydrophobicContact CB-CZ2 4.18Å; E236-W241 HydrophobicContact CB-CZ3 3.69Å |
| 237 | S | 92.5 | Very high | 95 | Very high | 25 Ų | 25 | 28.2 Ų | 28.2 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.3 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 109 | C235 G239 R240 | C235-S237 PolarHBondContact O-N 3.43Å; S237-G239 VanDerWaalsContact C-N 3.27Å; S237-G239 PolarHBondContact O-N 3.03Å; S237-R240 PolarHBondContact N-O 3.14Å; S237-R240 PolarHBondContact O-N 3.13Å; S237-R240 VanDerWaalsContact O-N 3.1Å |
| 238 | S | 88.7 | Confident | 95 | Very high | 124 Ų | 124 | 25.1 Ų | 25.1 | 87% | 0.867 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 42.1 | -179.5 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | R240 | S238-R240 VanDerWaalsContact C-N 3.3Å; S238-R240 PolarHBondContact O-N 3.31Å |
| 239 | G | 89.1 | Confident | 94.9 | Very high | 51 Ų | 51 | 26 Ų | 26 | 53% | 0.526 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 14.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S237 | S237-G239 VanDerWaalsContact C-N 3.27Å; S237-G239 PolarHBondContact O-N 3.03Å |
| 240 | R | 91.5 | Very high | 94.6 | Very high | 163 Ų | 163 | 25.2 Ų | 25.2 | 62% | 0.615 | 15% | 0.145 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.9 | 175.9 | -63.8 | -179.2 | 65.2 | -175.7 | -0.3 | 110.5 | S237 S238 | S237-R240 PolarHBondContact N-O 3.14Å; S237-R240 PolarHBondContact O-N 3.13Å; S237-R240 VanDerWaalsContact O-N 3.1Å; S238-R240 VanDerWaalsContact C-N 3.3Å; S238-R240 PolarHBondContact O-N 3.31Å |
| 241 | W | 94.3 | Very high | 93.9 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 122.2 | 169.1 | -64.1 | 106.8 | 0 | 0 | 0 | 109.9 | Q49 P51 F163 P164 P177 Y179 L234 E236 | Q49-W241 PolarHBondContact O-NE1 3.41Å; P51-W241 VanDerWaalsContact CA-CD1 3.49Å; P51-W241 HydrophobicContact CB-CB 3.94Å; P51-W241 HydrophobicContact CB-CD2 3.74Å; P51-W241 HydrophobicContact CB-CE3 4.27Å; P51-W241 HydrophobicContact CB-CG 3.53Å; P51-W241 HydrophobicContact CG-CD2 3.49Å; P51-W241 VanDerWaalsContact CG-CD2 3.49Å; P51-W241 HydrophobicContact CG-CE3 3.64Å; P51-W241 HydrophobicContact CG-CG 3.88Å; P51-W241 HydrophobicContact CG-CH2 4.36Å; P51-W241 HydrophobicContact CG-CZ2 4.26Å; P51-W241 HydrophobicContact CG-CZ3 4.06Å; F163-W241 HydrophobicContact CD1-CB 4.1Å; F163-W241 HydrophobicContact CE1-CB 4.23Å; P164-W241 WeakPolarHBondContact CD-O 3.09Å; P177-W241 HydrophobicContact CB-CH2 4.4Å; Y179-W241 AromaticContact CD2-CH2 3.79Å; Y179-W241 HydrophobicContact CD2-CH2 3.79Å; Y179-W241 AromaticContact CD2-CZ3 3.79Å; Y179-W241 HydrophobicContact CD2-CZ3 3.79Å; Y179-W241 AromaticContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CZ3 4.23Å; L234-W241 HydrophobicContact CB-CE3 4.39Å; E236-W241 HydrophobicContact CB-CD2 4.42Å; E236-W241 HydrophobicContact CB-CE3 4.01Å; E236-W241 HydrophobicContact CB-CH2 3.77Å; E236-W241 HydrophobicContact CB-CZ2 4.18Å; E236-W241 HydrophobicContact CB-CZ3 3.69Å |
| 242 | T | 95.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.8 | -177.4 | -61 | 0 | 0 | 0 | 0 | 108.9 | P164 P166 L234 C235 F244 | P164-T242 VanDerWaalsContact O-CG2 3.29Å; P164-T242 WeakPolarHBondContact O-CG2 3.34Å; P166-T242 HydrophobicContact CB-CG2 4.02Å; L234-T242 WeakPolarHBondContact CA-O 3.32Å; C235-T242 PolarHBondContact N-O 2.86Å; C235-T242 PolarHBondContact O-N 3.16Å; T242-F244 HydrophobicContact CG2-CD2 3.96Å; T242-F244 HydrophobicContact CG2-CE2 3.76Å; T242-F244 HydrophobicContact CG2-CZ 4.24Å; T242-F244 WeakPolarHBondContact O-CD2 3.23Å; T242-F244 PolarHBondContact O-N 2.89Å |
| 243 | Q | 96.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 94.3 | 176.2 | 177.8 | 179.4 | -14.1 | 0 | 0 | 109.5 | T73 F163 P164 L165 P166 P232 L233 L234 L276 | T73-Q243 PolarHBondContact OG1-NE2 3.21Å; T73-Q243 VanDerWaalsContact OG1-NE2 3.14Å; T73-Q243 PolarHBondContact OG1-OE1 2.81Å; F163-Q243 HydrophobicContact CB-CB 3.85Å; P164-Q243 PolarHBondContact O-N 3.3Å; L165-Q243 HydrophobicContact CD2-CB 4.17Å; L165-Q243 HydrophobicContact CD2-CG 4.23Å; P166-Q243 WeakPolarHBondContact CD-O 3.29Å; P232-Q243 HydrophobicContact CB-CB 4.49Å; P232-Q243 HydrophobicContact CB-CG 3.76Å; L233-Q243 WeakPolarHBondContact O-CA 3.33Å; L234-Q243 HydrophobicContact CD2-CB 3.96Å; Q243-L276 HydrophobicContact CG-CD1 3.89Å; Q243-L276 VanDerWaalsContact NE2-CD1 3.34Å |
| 244 | F | 97.5 | Very high | 88 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -18.2 | 179.6 | -82.7 | -89.5 | 0 | 0 | 0 | 113.6 | P166 T170 A172 M176 Y216 L233 C235 T242 L276 | P166-F244 HydrophobicContact CB-CD1 3.79Å; P166-F244 HydrophobicContact CB-CE1 3.59Å; P166-F244 HydrophobicContact CB-CZ 4.16Å; P166-F244 HydrophobicContact CG-CD1 3.78Å; P166-F244 HydrophobicContact CG-CE1 4.12Å; P166-F244 HydrophobicContact CG-CG 4.35Å; T170-F244 HydrophobicContact CG2-CE1 3.9Å; T170-F244 HydrophobicContact CG2-CZ 3.97Å; A172-F244 HydrophobicContact CB-CB 3.96Å; A172-F244 HydrophobicContact CB-CD1 3.73Å; A172-F244 HydrophobicContact CB-CD2 4.25Å; A172-F244 HydrophobicContact CB-CE1 4.22Å; A172-F244 HydrophobicContact CB-CG 3.72Å; A172-F244 VanDerWaalsContact N-CD1 3.33Å; M176-F244 HydrophobicContact SD-CZ 4.5Å; Y216-F244 HydrophobicContact CE2-CB 4.1Å; Y216-F244 WeakPolarHBondContact CE2-O 3.44Å; L233-F244 PolarHBondContact O-N 3.07Å; C235-F244 HydrophobicContact CB-CD2 3.66Å; C235-F244 HydrophobicContact CB-CE2 3.97Å; T242-F244 HydrophobicContact CG2-CD2 3.96Å; T242-F244 HydrophobicContact CG2-CE2 3.76Å; T242-F244 HydrophobicContact CG2-CZ 4.24Å; T242-F244 WeakPolarHBondContact O-CD2 3.23Å; T242-F244 PolarHBondContact O-N 2.89Å; F244-L276 PolarHBondContact O-N 2.77Å |
| 245 | G | 96.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -177.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | L233 M274 | L233-G245 PolarHBondContact N-O 2.91Å; G245-M274 CarbonylContact C-O 3.47Å; G245-M274 WeakPolarHBondContact CA-O 3.28Å |
| 246 | I | 96.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.1 | 179.7 | -54.5 | -178.9 | 0 | 0 | 0 | 108.1 | V87 A89 L145 S231 D248 F273 M274 L276 | V87-I246 HydrophobicContact CG1-CD1 3.38Å; V87-I246 HydrophobicContact CG1-CG1 4.25Å; A89-I246 HydrophobicContact CB-CG2 4.02Å; L145-I246 HydrophobicContact CD1-CD1 3.65Å; S231-I246 WeakPolarHBondContact O-CA 3.36Å; I246-D248 PolarHBondContact O-N 2.61Å; I246-F273 CarbonylContact O-C 3.54Å; I246-F273 WeakPolarHBondContact O-CA 3.48Å; I246-M274 PolarHBondContact N-O 3.38Å; I246-M274 PolarHBondContact O-N 2.7Å; I246-L276 HydrophobicContact CD1-CD1 3.89Å; I246-L276 HydrophobicContact CD1-CD2 3.92Å; I246-L276 HydrophobicContact CD1-CG 4.25Å; I246-L276 HydrophobicContact CG1-CD1 3.48Å; I246-L276 VanDerWaalsContact CG1-CD1 3.48Å; I246-L276 HydrophobicContact CG1-CD2 4.17Å; I246-L276 HydrophobicContact CG1-CG 3.95Å |
| 247 | Y | 96.4 | Very high | 80.7 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 118.8 | 171.7 | -173.4 | -67.9 | 0 | 0 | 0 | 109.1 | V180 P228 G230 S231 S250 E269 A271 F273 | V180-Y247 HydrophobicContact CG1-CD2 4.32Å; V180-Y247 HydrophobicContact CG2-CD2 4.45Å; P228-Y247 HydrophobicContact CB-CD1 4.04Å; P228-Y247 HydrophobicContact CB-CD2 4.33Å; P228-Y247 HydrophobicContact CB-CE1 3.96Å; P228-Y247 HydrophobicContact CB-CE2 4.24Å; P228-Y247 HydrophobicContact CB-CG 4.24Å; P228-Y247 HydrophobicContact CG-CD1 4.39Å; P228-Y247 HydrophobicContact CG-CE1 3.9Å; P228-Y247 VanDerWaalsContact O-CB 3.3Å; P228-Y247 WeakPolarHBondContact O-CB 3.38Å; P228-Y247 WeakPolarHBondContact O-CD1 3.36Å; G230-Y247 PolarHBondContact N-O 2.97Å; S231-Y247 PolarHBondContact O-N 3Å; Y247-S250 VanDerWaalsContact OH-CB 3.28Å; Y247-S250 WeakPolarHBondContact OH-CB 3.2Å; Y247-S250 PolarHBondContact OH-OG 2.83Å; Y247-E269 WeakPolarHBondContact CE2-OE1 3.45Å; Y247-E269 VanDerWaalsContact OH-CD 3.26Å; Y247-E269 PolarHBondContact OH-OE1 2.83Å; Y247-E269 PolarHBondContact OH-OE2 3.13Å; Y247-A271 HydrophobicContact CD2-CB 4.03Å; Y247-A271 HydrophobicContact CE2-CB 3.5Å; Y247-A271 VanDerWaalsContact CE2-CB 3.5Å; Y247-F273 HydrophobicContact CD2-CD1 4.45Å; Y247-F273 AromaticContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CZ 4.13Å; Y247-F273 HydrophobicContact CG-CE1 4.14Å |
| 248 | D | 93.3 | Very high | 78.3 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -61 | 178.9 | -172.1 | 68.5 | 0 | 0 | 0 | 110.3 | R91 M143 I229 I246 L272 | R91-D248 VanDerWaalsContact CD-O 3.23Å; R91-D248 WeakPolarHBondContact CD-O 3.06Å; R91-D248 IonicContact CZ-OD1 3.86Å; R91-D248 IonicContact CZ-OD2 3.43Å; R91-D248 VanDerWaalsContact CZ-OD2 3.28Å; R91-D248 PolarHBondContact NE-O 3.43Å; R91-D248 IonicContact NE-OD1 3.07Å; R91-D248 PolarHBondContact NE-OD1 2.86Å; R91-D248 IonicContact NE-OD2 2.61Å; R91-D248 PolarHBondContact NE-OD2 2.97Å; R91-D248 IonicContact NH2-OD1 2.7Å; R91-D248 IonicContact NH2-OD2 3.1Å; R91-D248 PolarHBondContact NH2-OD2 2.94Å; M143-D248 HydrophobicContact CE-CB 4.25Å; I229-D248 WeakPolarHBondContact CG1-O 3.35Å; I246-D248 PolarHBondContact O-N 2.61Å; D248-L272 PolarHBondContact N-O 2.87Å |
| 249 | H | 91.3 | Very high | 76 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 21% | 0.213 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 172.5 | 176.9 | 64.5 | -74.8 | 0 | 0 | 0 | 110.5 | F251 L272 | H249-F251 AromaticContact CD2-CZ 3.83Å; H249-F251 AromaticContact NE2-CE1 3.88Å; H249-F251 AromaticContact NE2-CE2 3.54Å; H249-F251 AromaticContact NE2-CZ 3.17Å; H249-F251 WeakPolarHBondContact NE2-CZ 3.3Å; H249-L272 PolarHBondContact O-N 2.97Å |
| 250 | S | 90 | Very high | 73.8 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 161.7 | 172.8 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | Y247 E269 I270 | Y247-S250 VanDerWaalsContact OH-CB 3.28Å; Y247-S250 WeakPolarHBondContact OH-CB 3.2Å; Y247-S250 PolarHBondContact OH-OG 2.83Å; S250-E269 VanDerWaalsContact CB-CD 3.46Å; S250-E269 WeakPolarHBondContact CB-OE2 3.29Å; S250-E269 PolarHBondContact OG-OE2 2.77Å; S250-I270 VanDerWaalsContact CA-O 3.3Å; S250-I270 WeakPolarHBondContact CA-O 3.48Å; S250-I270 WeakPolarHBondContact CB-O 3.33Å |
| 251 | F | 81.4 | Confident | 71.4 | Confident | 47 Ų | 47 | 68 Ų | 68 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.6 | 171.8 | -61 | -84.9 | 0 | 0 | 0 | 110.3 | L206 K209 H249 R253 I270 L272 | L206-F251 HydrophobicContact CD1-CE2 4.32Å; L206-F251 HydrophobicContact CD2-CD2 3.33Å; L206-F251 HydrophobicContact CD2-CE2 3.6Å; L206-F251 HydrophobicContact CD2-CG 4.01Å; L206-F251 HydrophobicContact CD2-CZ 4.49Å; K209-F251 HydrophobicContact CD-CE1 4.17Å; K209-F251 HydrophobicContact CD-CZ 4.25Å; H249-F251 AromaticContact CD2-CZ 3.83Å; H249-F251 AromaticContact NE2-CE1 3.88Å; H249-F251 AromaticContact NE2-CE2 3.54Å; H249-F251 AromaticContact NE2-CZ 3.17Å; H249-F251 WeakPolarHBondContact NE2-CZ 3.3Å; F251-R253 VanDerWaalsContact C-N 3.33Å; F251-R253 PolarHBondContact O-N 3.35Å; F251-I270 PolarHBondContact N-O 3.49Å; F251-L272 HydrophobicContact CE2-CD1 3.52Å; F251-L272 HydrophobicContact CE2-CG 3.91Å; F251-L272 HydrophobicContact CZ-CD1 4.05Å |
| 252 | N | 67.6 | Low | 68.9 | Low | 123 Ų | 123 | 74 Ų | 74 | 66% | 0.658 | 42% | 0.421 | S | S | * | . | trans | -76 | 88.1 | 163.5 | -67 | -37.7 | 0 | 0 | 0 | 108.1 | K222 | K222-N252 VanDerWaalsContact CE-OD1 3.23Å; K222-N252 WeakPolarHBondContact CE-OD1 3.31Å; K222-N252 PolarHBondContact NZ-OD1 2.8Å | ||
| 253 | R | 54 | Low | 66.4 | Low | 151 Ų | 151 | 75.3 Ų | 75.3 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | trans | -108.4 | 125.6 | 158.3 | -110.9 | -179.6 | -179 | -174.5 | -5.3 | 107.5 | H205 F251 M255 | H205-R253 PolarHBondContact O-NH1 2.92Å; F251-R253 VanDerWaalsContact C-N 3.33Å; F251-R253 PolarHBondContact O-N 3.35Å; R253-M255 PolarHBondContact O-N 3.11Å | ||
| 254 | P | 45.9 | Very low | 64.1 | Low | 122 Ų | 122 | 85.4 Ų | 85.4 | 79% | 0.792 | 48% | 0.481 | S | S | * | . | trans | -55.9 | 111 | 159.4 | -6.6 | 18.1 | 0 | 0 | 0 | 105.8 | G256 | P254-G256 PolarHBondContact O-N 2.74Š| ||
| 255 | M | 48.8 | Very low | 61.9 | Low | 50 Ų | 50 | 92.2 Ų | 92.2 | 25% | 0.246 | 51% | 0.513 | C | S | . | . | trans | -60.9 | 109.7 | 164.2 | -93.1 | -172.3 | 167.5 | 0 | 0 | 105.5 | V219 R253 Y257 I270 | V219-M255 HydrophobicContact CB-CE 4.41Å; V219-M255 HydrophobicContact CG1-CE 4.01Å; V219-M255 HydrophobicContact CG1-SD 4.23Å; V219-M255 HydrophobicContact CG2-CE 3.46Å; V219-M255 VanDerWaalsContact CG2-CE 3.46Å; R253-M255 PolarHBondContact O-N 3.11Å; M255-Y257 HydrophobicContact CB-CD2 4.07Å; M255-Y257 HydrophobicContact CB-CE2 4.34Å; M255-Y257 PolarHBondContact O-N 3.05Å; M255-Y257 HydrophobicContact SD-CE2 4.31Å; M255-I270 HydrophobicContact CE-CD1 4.06Å; M255-I270 HydrophobicContact CE-CG1 4.17Å | ||
| 256 | G | 44.2 | Very low | 60.4 | Low | 82 Ų | 82 | 96.9 Ų | 96.9 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | trans | -58.2 | 107.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | P254 | P254-G256 PolarHBondContact O-N 2.74Š| ||
| 257 | Y | 42.5 | Very low | 59.3 | Low | 161 Ų | 161 | 99.5 Ų | 99.5 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | trans | -114.9 | 145.9 | 173.4 | -103.3 | -90.6 | 0 | 0 | 0 | 109.7 | M255 A259 | M255-Y257 HydrophobicContact CB-CD2 4.07Å; M255-Y257 HydrophobicContact CB-CE2 4.34Å; M255-Y257 PolarHBondContact O-N 3.05Å; M255-Y257 HydrophobicContact SD-CE2 4.31Å; Y257-A259 PolarHBondContact O-N 2.96Å | ||
| 258 | N | 43.1 | Very low | 58.8 | Low | 153 Ų | 153 | 105.7 Ų | 105.7 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | trans | -49.8 | 132.4 | -177.1 | -71.7 | -29.8 | 0 | 0 | 0 | 112 | G260 | N258-G260 PolarHBondContact O-N 3.19Š| ||
| 259 | A | 39 | Very low | 58.7 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 95% | 0.95 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 102.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y257 | Y257-A259 PolarHBondContact O-N 2.96Š|
| 260 | G | 44.1 | Very low | 58.8 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 74% | 0.742 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.5 | -7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | N258 | N258-G260 PolarHBondContact O-N 3.19Š|
| 261 | Y | 41.4 | Very low | 59 | Low | 220 Ų | 220 | 102.6 Ų | 102.6 | 86% | 0.863 | 56% | 0.557 | S | S | * | * | trans | -105.1 | 118.4 | 179.7 | -137.9 | -99.1 | 0 | 0 | 0 | 111.8 | ||||
| 262 | T | 42.2 | Very low | 59.6 | Low | 149 Ų | 149 | 100.5 Ų | 100.5 | 91% | 0.914 | 55% | 0.548 | S | S | * | . | trans | -101.8 | 16.8 | -178.3 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 263 | G | 42.3 | Very low | 60.9 | Low | 42 Ų | 42 | 94.6 Ų | 94.6 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -77 | 154 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q265 | G263-Q265 VanDerWaalsContact C-N 3.34Å; G263-Q265 PolarHBondContact O-N 2.85Å |
| 264 | K | 47.6 | Very low | 62.8 | Low | 215 Ų | 215 | 87.7 Ų | 87.7 | 94% | 0.935 | 49% | 0.491 | S | S | * | . | trans | -58 | 100.6 | 164.1 | -76.2 | -175.8 | 179 | -179.6 | 0 | 107.5 | E266 | K264-E266 PolarHBondContact O-N 3Š| ||
| 265 | Q | 52.3 | Low | 65.1 | Low | 144 Ų | 144 | 83.9 Ų | 83.9 | 67% | 0.673 | 46% | 0.461 | S | S | * | . | trans | -75.4 | 114.3 | -176.1 | -165.5 | 171.3 | -2.4 | 0 | 0 | 108.2 | G263 | G263-Q265 VanDerWaalsContact C-N 3.34Å; G263-Q265 PolarHBondContact O-N 2.85Å | ||
| 266 | E | 64.3 | Low | 67.3 | Low | 99 Ų | 99 | 81.6 Ų | 81.6 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 133.4 | 171.3 | -67.3 | 178 | 157.8 | 0 | 0 | 108.9 | Q221 K264 R268 | Q221-E266 PolarHBondContact NE2-OE2 2.97Å; K264-E266 PolarHBondContact O-N 3Å; E266-R268 PolarHBondContact O-N 2.8Å |
| 267 | P | 74.6 | Confident | 69.6 | Low | 55 Ų | 55 | 80.7 Ų | 80.7 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 124.7 | -178.9 | 27.7 | -33.8 | 0 | 0 | 0 | 108.4 | K222 E223 | K222-P267 HydrophobicContact CB-CB 4.08Å; K222-P267 HydrophobicContact CB-CG 4.28Å; K222-P267 VanDerWaalsContact CB-O 3.3Å; K222-P267 WeakPolarHBondContact CB-O 3.33Å; K222-P267 PolarHBondContact N-O 3.41Å; E223-P267 HydrophobicContact CB-CG 4.33Å |
| 268 | R | 85.4 | Confident | 71.7 | Confident | 138 Ų | 138 | 75.3 Ų | 75.3 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 150.4 | 175.1 | -68.8 | -174.3 | 176.8 | -173.9 | -2.1 | 110 | G220 E266 | G220-R268 WeakPolarHBondContact O-CA 3.32Å; E266-R268 PolarHBondContact O-N 2.8Å |
| 269 | E | 90.5 | Very high | 73.9 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156.6 | 173.3 | 65.4 | 179.9 | -175 | 0 | 0 | 112.2 | Y194 V219 G220 K222 Y247 S250 | Y194-E269 PolarHBondContact OH-OE1 3.34Å; V219-E269 WeakPolarHBondContact CA-O 3.35Å; G220-E269 PolarHBondContact N-O 3.47Å; G220-E269 PolarHBondContact O-N 3.27Å; K222-E269 HydrophobicContact CB-CB 4.08Å; K222-E269 HydrophobicContact CB-CG 4.06Å; K222-E269 HydrophobicContact CD-CB 4.15Å; K222-E269 HydrophobicContact CG-CB 4.14Å; K222-E269 HydrophobicContact CG-CG 4.24Å; K222-E269 WeakPolarHBondContact CG-OE2 3.47Å; Y247-E269 WeakPolarHBondContact CE2-OE1 3.45Å; Y247-E269 VanDerWaalsContact OH-CD 3.26Å; Y247-E269 PolarHBondContact OH-OE1 2.83Å; Y247-E269 PolarHBondContact OH-OE2 3.13Å; S250-E269 VanDerWaalsContact CB-CD 3.46Å; S250-E269 WeakPolarHBondContact CB-OE2 3.29Å; S250-E269 PolarHBondContact OG-OE2 2.77Å |
| 270 | I | 92.9 | Very high | 76.3 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.5 | 162.5 | -58.6 | -178.7 | 0 | 0 | 0 | 106.5 | H205 L206 C217 G218 V219 S250 F251 M255 | H205-I270 HydrophobicContact CB-CD1 3.67Å; L206-I270 HydrophobicContact CD1-CG2 4.34Å; L206-I270 HydrophobicContact CD2-CG2 4.23Å; L206-I270 HydrophobicContact CG-CG2 4.48Å; C217-I270 HydrophobicContact CB-CG2 4.39Å; G218-I270 WeakPolarHBondContact O-CA 3.35Å; V219-I270 HydrophobicContact CG2-CG1 4.4Å; S250-I270 VanDerWaalsContact CA-O 3.3Å; S250-I270 WeakPolarHBondContact CA-O 3.48Å; S250-I270 WeakPolarHBondContact CB-O 3.33Å; F251-I270 PolarHBondContact N-O 3.49Å; M255-I270 HydrophobicContact CE-CD1 4.06Å; M255-I270 HydrophobicContact CE-CG1 4.17Å |
| 271 | A | 94.5 | Very high | 78.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 144.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y194 C217 G218 Y247 F273 | Y194-A271 HydrophobicContact CD1-CB 4.34Å; Y194-A271 HydrophobicContact CE1-CB 3.56Å; C217-A271 WeakPolarHBondContact CA-O 3.47Å; G218-A271 PolarHBondContact N-O 2.84Å; G218-A271 PolarHBondContact O-N 3.03Å; Y247-A271 HydrophobicContact CD2-CB 4.03Å; Y247-A271 HydrophobicContact CE2-CB 3.5Å; Y247-A271 VanDerWaalsContact CE2-CB 3.5Å; A271-F273 HydrophobicContact CB-CE1 4.47Å; A271-F273 HydrophobicContact CB-CE2 3.84Å; A271-F273 HydrophobicContact CB-CZ 3.72Å |
| 272 | L | 94.5 | Very high | 80.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.7 | 166.6 | -80.2 | -179.1 | 0 | 0 | 0 | 109.9 | L206 Y210 M215 C217 D248 H249 F251 | L206-L272 HydrophobicContact CD1-CD1 4.38Å; L206-L272 HydrophobicContact CD1-CD2 3.47Å; L206-L272 VanDerWaalsContact CD1-CD2 3.47Å; L206-L272 HydrophobicContact CD1-CG 3.95Å; Y210-L272 HydrophobicContact CD2-CD2 4.03Å; M215-L272 HydrophobicContact CB-CD2 4.19Å; M215-L272 HydrophobicContact SD-CD1 3.69Å; M215-L272 HydrophobicContact SD-CD2 3.72Å; M215-L272 HydrophobicContact SD-CG 4.26Å; C217-L272 HydrophobicContact CB-CD2 3.83Å; D248-L272 PolarHBondContact N-O 2.87Å; H249-L272 PolarHBondContact O-N 2.97Å; F251-L272 HydrophobicContact CE2-CD1 3.52Å; F251-L272 HydrophobicContact CE2-CG 3.91Å; F251-L272 HydrophobicContact CZ-CD1 4.05Å |
| 273 | F | 95.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.4 | 175.6 | -53.8 | -87.7 | 0 | 0 | 0 | 109.3 | V180 Y194 L196 M215 Y216 L233 I246 Y247 A271 K275 | V180-F273 HydrophobicContact CG2-CE1 3.42Å; V180-F273 VanDerWaalsContact CG2-CE1 3.42Å; V180-F273 HydrophobicContact CG2-CZ 3.72Å; Y194-F273 AromaticContact CD1-CE2 3.98Å; Y194-F273 HydrophobicContact CD1-CE2 3.98Å; Y194-F273 AromaticContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD2-CZ 4.48Å; Y194-F273 HydrophobicContact CE1-CE2 4.41Å; Y194-F273 AromaticContact CE1-CZ 3.84Å; Y194-F273 HydrophobicContact CE1-CZ 3.84Å; Y194-F273 AromaticContact CG-CZ 3.96Å; Y194-F273 HydrophobicContact CG-CZ 3.96Å; L196-F273 HydrophobicContact CD2-CD2 4.45Å; L196-F273 HydrophobicContact CD2-CE2 4.41Å; M215-F273 CarbonylContact C-O 3.47Å; M215-F273 WeakPolarHBondContact CA-O 3.47Å; Y216-F273 PolarHBondContact N-O 2.75Å; Y216-F273 PolarHBondContact O-N 3.38Å; L233-F273 HydrophobicContact CB-CD1 3.72Å; L233-F273 HydrophobicContact CB-CE1 4.13Å; L233-F273 HydrophobicContact CB-CG 4.23Å; L233-F273 HydrophobicContact CD1-CD1 4.24Å; L233-F273 HydrophobicContact CD1-CE1 4.02Å; L233-F273 HydrophobicContact CD1-CE2 4.34Å; L233-F273 HydrophobicContact CD1-CZ 4.07Å; L233-F273 HydrophobicContact CD2-CB 3.98Å; L233-F273 HydrophobicContact CD2-CD1 4.11Å; L233-F273 HydrophobicContact CD2-CD2 4.04Å; L233-F273 HydrophobicContact CD2-CG 3.77Å; L233-F273 HydrophobicContact CG-CD1 4.24Å; L233-F273 HydrophobicContact CG-CE1 4.49Å; L233-F273 HydrophobicContact CG-CG 4.39Å; I246-F273 CarbonylContact O-C 3.54Å; I246-F273 WeakPolarHBondContact O-CA 3.48Å; Y247-F273 HydrophobicContact CD2-CD1 4.45Å; Y247-F273 AromaticContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CZ 4.13Å; Y247-F273 HydrophobicContact CG-CE1 4.14Å; A271-F273 HydrophobicContact CB-CE1 4.47Å; A271-F273 HydrophobicContact CB-CE2 3.84Å; A271-F273 HydrophobicContact CB-CZ 3.72Å; F273-K275 PolarHBondContact O-N 2.73Å |
| 274 | M | 93.7 | Very high | 84.9 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131.4 | 165.4 | 173.3 | 161.8 | -63.8 | 0 | 0 | 109.2 | M143 G144 L145 G245 I246 | M143-M274 HydrophobicContact CB-CE 4.4Å; M143-M274 VanDerWaalsContact CE-CA 3.47Å; M143-M274 HydrophobicContact CE-CB 3.71Å; M143-M274 HydrophobicContact CE-CE 4.1Å; M143-M274 HydrophobicContact CG-CE 3.41Å; M143-M274 VanDerWaalsContact CG-CE 3.41Å; G144-M274 VanDerWaalsContact O-SD 3.42Å; L145-M274 HydrophobicContact CB-SD 3.84Å; L145-M274 PolarHBondContact N-SD 3.07Å; L145-M274 VanDerWaalsContact N-SD 3.36Å; G245-M274 CarbonylContact C-O 3.47Å; G245-M274 WeakPolarHBondContact CA-O 3.28Å; I246-M274 PolarHBondContact N-O 3.38Å; I246-M274 PolarHBondContact O-N 2.7Å |
| 275 | K | 94.5 | Very high | 86.7 | Confident | 42 Ų | 42 | 40.3 Ų | 40.3 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 146 | 171.4 | -61.3 | -165 | -176.9 | 179.8 | 0 | 110.8 | P212 V214 M215 Y216 F273 | P212-K275 WeakPolarHBondContact O-CE 2.99Å; P212-K275 PolarHBondContact O-NZ 2.01Å; V214-K275 PolarHBondContact O-N 2.94Å; M215-K275 VanDerWaalsContact O-CE 3.3Å; M215-K275 WeakPolarHBondContact O-CE 3.46Å; Y216-K275 HydrophobicContact CD2-CG 3.74Å; Y216-K275 HydrophobicContact CE1-CD 4.16Å; Y216-K275 HydrophobicContact CE1-CG 4.4Å; Y216-K275 HydrophobicContact CE2-CB 4.07Å; Y216-K275 HydrophobicContact CE2-CD 3.97Å; Y216-K275 HydrophobicContact CE2-CG 3.47Å; Y216-K275 VanDerWaalsContact CE2-CG 3.47Å; Y216-K275 HydrophobicContact CG-CG 4.31Å; F273-K275 PolarHBondContact O-N 2.73Å |
| 276 | L | 94.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -121.4 | 149.8 | 171.4 | -68.1 | 175.5 | 0 | 0 | 0 | 111.3 | V87 L145 L165 P166 Q243 F244 I246 D280 | V87-L276 HydrophobicContact CG1-CD1 4.25Å; L145-L276 HydrophobicContact CD1-CD2 4.09Å; L145-L276 HydrophobicContact CD2-CD2 3.85Å; L145-L276 HydrophobicContact CG-CD2 4.43Å; L165-L276 HydrophobicContact CD2-CB 4.25Å; L165-L276 HydrophobicContact CD2-CD1 3.82Å; P166-L276 WeakPolarHBondContact CG-O 3.42Å; Q243-L276 HydrophobicContact CG-CD1 3.89Å; Q243-L276 VanDerWaalsContact NE2-CD1 3.34Å; F244-L276 PolarHBondContact O-N 2.77Å; I246-L276 HydrophobicContact CD1-CD1 3.89Å; I246-L276 HydrophobicContact CD1-CD2 3.92Å; I246-L276 HydrophobicContact CD1-CG 4.25Å; I246-L276 HydrophobicContact CG1-CD1 3.48Å; I246-L276 VanDerWaalsContact CG1-CD1 3.48Å; I246-L276 HydrophobicContact CG1-CD2 4.17Å; I246-L276 HydrophobicContact CG1-CG 3.95Å; L276-D280 VanDerWaalsContact CA-OD2 3.24Å; L276-D280 WeakPolarHBondContact CA-OD2 3.39Å | ||
| 277 | E | 91.8 | Very high | 88.5 | Confident | 63 Ų | 63 | 35.9 Ų | 35.9 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | trans | -133.9 | 160.3 | 173.4 | -60.6 | -177.9 | 178.1 | 0 | 0 | 110.2 | L165 P166 S168 D279 D280 | L165-E277 WeakPolarHBondContact CD1-O 3.4Å; P166-E277 CarbonylContact O-C 3.5Å; S168-E277 WeakPolarHBondContact CB-OE2 3.48Å; E277-D279 VanDerWaalsContact C-N 3.29Å; E277-D279 PolarHBondContact O-N 2.84Å; E277-D280 PolarHBondContact N-OD2 3.1Å; E277-D280 WeakPolarHBondContact O-CB 3.31Å; E277-D280 PolarHBondContact O-N 3.08Å | ||
| 278 | D | 88.2 | Confident | 87.8 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.5 | -171.5 | 64.7 | -26.3 | 0 | 0 | 0 | 114.9 | R78 L165 P166 Y167 S168 | R78-D278 IonicContact NH2-OD2 2.82Å; L165-D278 HydrophobicContact CB-CB 4.28Å; P166-D278 WeakPolarHBondContact O-CB 3.39Å; P166-D278 PolarHBondContact O-N 2.82Å; Y167-D278 WeakPolarHBondContact CD1-OD2 3.47Å; S168-D278 PolarHBondContact N-OD1 3.06Å |
| 279 | D | 88.2 | Confident | 86.5 | Confident | 59 Ų | 59 | 33.9 Ų | 33.9 | 32% | 0.316 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -14.4 | 173.7 | 72 | -51.2 | 0 | 0 | 0 | 113.6 | S168 E277 V281 A282 R283 | S168-D279 PolarHBondContact OG-OD1 3.38Å; E277-D279 VanDerWaalsContact C-N 3.29Å; E277-D279 PolarHBondContact O-N 2.84Å; D279-V281 PolarHBondContact O-N 3.35Å; D279-A282 PolarHBondContact O-N 2.92Å; D279-A282 VanDerWaalsContact O-N 3.13Å; D279-R283 WeakPolarHBondContact O-CB 3.28Å; D279-R283 PolarHBondContact O-N 2.88Å; D279-R283 IonicContact OD1-NH1 3.92Å; D279-R283 PolarHBondContact OD1-NH1 3Å; D279-R283 IonicContact OD2-CZ 2.99Å; D279-R283 IonicContact OD2-NH1 2.93Å; D279-R283 PolarHBondContact OD2-NH1 3.34Å |
| 280 | D | 89.4 | Confident | 84.5 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.3 | -46.1 | -171.7 | -76.9 | -14.1 | 0 | 0 | 0 | 113.2 | L145 L276 E277 A282 R283 I284 | L145-D280 HydrophobicContact CD2-CB 3.73Å; L276-D280 VanDerWaalsContact CA-OD2 3.24Å; L276-D280 WeakPolarHBondContact CA-OD2 3.39Å; E277-D280 PolarHBondContact N-OD2 3.1Å; E277-D280 WeakPolarHBondContact O-CB 3.31Å; E277-D280 PolarHBondContact O-N 3.08Å; D280-A282 PolarHBondContact O-N 2.81Å; D280-R283 PolarHBondContact O-N 3.24Å; D280-R283 IonicContact OD1-CZ 3.73Å; D280-R283 IonicContact OD1-NH1 2.8Å; D280-R283 PolarHBondContact OD1-NH1 3.16Å; D280-R283 IonicContact OD1-NH2 3.28Å; D280-R283 PolarHBondContact OD1-NH2 3.05Å; D280-I284 WeakPolarHBondContact O-CG1 3.32Å; D280-I284 PolarHBondContact O-N 2.77Å |
| 281 | V | 89.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | -179 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | Y75 V87 V147 L165 D279 Q285 | Y75-V281 HydrophobicContact CD1-CB 4.16Å; Y75-V281 HydrophobicContact CD1-CG1 3.67Å; Y75-V281 HydrophobicContact CD1-CG2 4.06Å; Y75-V281 HydrophobicContact CD2-CG2 3.94Å; Y75-V281 HydrophobicContact CE1-CB 3.92Å; Y75-V281 HydrophobicContact CE1-CG1 3.67Å; Y75-V281 HydrophobicContact CE1-CG2 4.16Å; Y75-V281 HydrophobicContact CE2-CG2 4.08Å; Y75-V281 HydrophobicContact CG-CG1 4.33Å; Y75-V281 HydrophobicContact CG-CG2 3.92Å; V87-V281 HydrophobicContact CG2-CG2 3.69Å; V147-V281 HydrophobicContact CG1-CG1 4.13Å; V147-V281 HydrophobicContact CG2-CB 4.42Å; V147-V281 HydrophobicContact CG2-CG1 4.02Å; V147-V281 HydrophobicContact CG2-CG2 4.31Å; L165-V281 HydrophobicContact CD1-CG2 3.99Å; D279-V281 PolarHBondContact O-N 3.35Å; V281-Q285 WeakPolarHBondContact O-CG 3.38Å; V281-Q285 PolarHBondContact O-N 3.03Å |
| 282 | A | 89.3 | Confident | 79.7 | Confident | 52 Ų | 52 | 53 Ų | 53 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D279 D280 I284 Q285 T286 | D279-A282 PolarHBondContact O-N 2.92Å; D279-A282 VanDerWaalsContact O-N 3.13Å; D280-A282 PolarHBondContact O-N 2.81Å; A282-I284 PolarHBondContact O-N 3.47Å; A282-Q285 PolarHBondContact O-N 3.28Å; A282-T286 WeakPolarHBondContact O-CG2 3.17Å; A282-T286 PolarHBondContact O-N 2.78Å; A282-T286 PolarHBondContact O-OG1 3.45Å |
| 283 | R | 86.6 | Confident | 78.9 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 30% | 0.302 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 179.8 | -170.1 | 171.3 | 70.8 | -132.2 | 1.9 | 111.4 | D279 D280 Q285 T286 L287 | D279-R283 WeakPolarHBondContact O-CB 3.28Å; D279-R283 PolarHBondContact O-N 2.88Å; D279-R283 IonicContact OD1-NH1 3.92Å; D279-R283 PolarHBondContact OD1-NH1 3Å; D279-R283 IonicContact OD2-CZ 2.99Å; D279-R283 IonicContact OD2-NH1 2.93Å; D279-R283 PolarHBondContact OD2-NH1 3.34Å; D280-R283 PolarHBondContact O-N 3.24Å; D280-R283 IonicContact OD1-CZ 3.73Å; D280-R283 IonicContact OD1-NH1 2.8Å; D280-R283 PolarHBondContact OD1-NH1 3.16Å; D280-R283 IonicContact OD1-NH2 3.28Å; D280-R283 PolarHBondContact OD1-NH2 3.05Å; R283-Q285 PolarHBondContact O-N 2.71Å; R283-T286 PolarHBondContact O-N 3.21Å; R283-T286 VanDerWaalsContact O-N 3.16Å; R283-T286 PolarHBondContact O-OG1 3.35Å; R283-L287 HydrophobicContact CG-CD1 4.4Å; R283-L287 WeakPolarHBondContact O-CG 3.35Å; R283-L287 PolarHBondContact O-N 2.71Å |
| 284 | I | 85.4 | Confident | 78 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 179.9 | -71.7 | -172.5 | 0 | 0 | 0 | 112.4 | F129 T131 L145 V147 D280 A282 T286 L287 | F129-I284 HydrophobicContact CB-CG2 3.77Å; T131-I284 VanDerWaalsContact OG1-CG1 3.28Å; T131-I284 WeakPolarHBondContact OG1-CG1 3.39Å; T131-I284 WeakPolarHBondContact OG1-CG2 3.2Å; L145-I284 HydrophobicContact CB-CD1 3.54Å; L145-I284 HydrophobicContact CD2-CD1 3.42Å; L145-I284 VanDerWaalsContact CD2-CD1 3.42Å; L145-I284 HydrophobicContact CD2-CG1 4.46Å; L145-I284 HydrophobicContact CG-CD1 3.42Å; L145-I284 VanDerWaalsContact CG-CD1 3.42Å; V147-I284 HydrophobicContact CG2-CG2 4.42Å; D280-I284 WeakPolarHBondContact O-CG1 3.32Å; D280-I284 PolarHBondContact O-N 2.77Å; A282-I284 PolarHBondContact O-N 3.47Å; I284-T286 PolarHBondContact O-N 2.68Å; I284-L287 PolarHBondContact O-N 3.41Å |
| 285 | Q | 84.6 | Confident | 77.2 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.1 | -32.8 | 176.1 | -70 | 175.9 | -31.7 | 0 | 0 | 112.1 | E85 F129 V281 A282 R283 T289 | E85-Q285 PolarHBondContact OE1-NE2 3.15Å; F129-Q285 HydrophobicContact CB-CG 4.47Å; F129-Q285 HydrophobicContact CD2-CG 3.89Å; F129-Q285 HydrophobicContact CE2-CG 4.2Å; F129-Q285 HydrophobicContact CG-CG 4.05Å; V281-Q285 WeakPolarHBondContact O-CG 3.38Å; V281-Q285 PolarHBondContact O-N 3.03Å; A282-Q285 PolarHBondContact O-N 3.28Å; R283-Q285 PolarHBondContact O-N 2.71Å; Q285-T289 PolarHBondContact O-OG1 3.41Å |
| 286 | T | 81.9 | Confident | 76.2 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 43% | 0.429 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -77.8 | -32.3 | 177.1 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | A282 R283 I284 T289 N290 | A282-T286 WeakPolarHBondContact O-CG2 3.17Å; A282-T286 PolarHBondContact O-N 2.78Å; A282-T286 PolarHBondContact O-OG1 3.45Å; R283-T286 PolarHBondContact O-N 3.21Å; R283-T286 VanDerWaalsContact O-N 3.16Å; R283-T286 PolarHBondContact O-OG1 3.35Å; I284-T286 PolarHBondContact O-N 2.68Å; T286-T289 VanDerWaalsContact CA-OG1 3.28Å; T286-T289 WeakPolarHBondContact CA-OG1 3.09Å; T286-T289 PolarHBondContact O-N 3.44Å; T286-T289 PolarHBondContact O-OG1 3.25Å; T286-N290 PolarHBondContact O-N 3.16Å; T286-N290 PolarHBondContact O-ND2 2.91Å; T286-N290 VanDerWaalsContact O-ND2 3.12Å |
| 287 | L | 72.7 | Confident | 75 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 42% | 0.419 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | -179.6 | -75.2 | 170.2 | 0 | 0 | 0 | 111.4 | T131 R283 I284 S291 | T131-L287 HydrophobicContact CG2-CD1 4.22Å; R283-L287 HydrophobicContact CG-CD1 4.4Å; R283-L287 WeakPolarHBondContact O-CG 3.35Å; R283-L287 PolarHBondContact O-N 2.71Å; I284-L287 PolarHBondContact O-N 3.41Å; L287-S291 PolarHBondContact O-N 3.12Å; L287-S291 PolarHBondContact O-OG 3.3Å |
| 288 | E | 61.2 | Low | 73.9 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -75.1 | -30.6 | 178.9 | -73.3 | -166.5 | 179.4 | 0 | 0 | 113.4 | F129 A130 N290 S291 | F129-E288 WeakPolarHBondContact CA-OE2 3.44Å; F129-E288 HydrophobicContact CD1-CB 4.16Å; F129-E288 VanDerWaalsContact CD1-OE2 3.31Å; F129-E288 WeakPolarHBondContact CD1-OE2 3.13Å; A130-E288 PolarHBondContact N-OE1 3.22Å; A130-E288 VanDerWaalsContact O-OE1 3.1Å; E288-N290 VanDerWaalsContact C-N 3.29Å; E288-N290 PolarHBondContact O-N 3.46Å; E288-S291 WeakPolarHBondContact O-CB 3.43Å; E288-S291 PolarHBondContact O-N 3.42Å |
| 289 | T | 57.4 | Low | 72.9 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 56% | 0.564 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.6 | -28.8 | 175.5 | 24.4 | 0 | 0 | 0 | 0 | 112.9 | Q285 T286 S291 | Q285-T289 PolarHBondContact O-OG1 3.41Å; T286-T289 VanDerWaalsContact CA-OG1 3.28Å; T286-T289 WeakPolarHBondContact CA-OG1 3.09Å; T286-T289 PolarHBondContact O-N 3.44Å; T286-T289 PolarHBondContact O-OG1 3.25Å; T289-S291 VanDerWaalsContact C-N 3.33Å |
| 290 | N | 48.6 | Very low | 71.7 | Confident | 135 Ų | 135 | 68.5 Ų | 68.5 | 72% | 0.722 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.6 | 175.2 | -66.6 | -36.1 | 0 | 0 | 0 | 113.4 | T286 E288 V292 | T286-N290 PolarHBondContact O-N 3.16Å; T286-N290 PolarHBondContact O-ND2 2.91Å; T286-N290 VanDerWaalsContact O-ND2 3.12Å; E288-N290 VanDerWaalsContact C-N 3.29Å; E288-N290 PolarHBondContact O-N 3.46Å; N290-V292 VanDerWaalsContact C-N 3.31Å |
| 291 | S | 45.2 | Very low | 70.3 | Confident | 97 Ų | 97 | 73.8 Ų | 73.8 | 68% | 0.678 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | L287 E288 T289 | L287-S291 PolarHBondContact O-N 3.12Å; L287-S291 PolarHBondContact O-OG 3.3Å; E288-S291 WeakPolarHBondContact O-CB 3.43Å; E288-S291 PolarHBondContact O-N 3.42Å; T289-S291 VanDerWaalsContact C-N 3.33Å |
| 292 | V | 40.5 | Very low | 68.5 | Low | 185 Ų | 185 | 80.5 Ų | 80.5 | 100% | 1.121 | 46% | 0.464 | S | S | * | . | trans | -110.9 | 0 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | N290 | N290-V292 VanDerWaalsContact C-N 3.31Š|
Retrieved 292 of 292 residues in 75.9 ms
(Link to these results)