| 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 | 50.2 | Low | 48.3 | Very low | 245 Ų | 245 | 132.7 Ų | 132.7 | 100% | 1.207 | 83% | 0.833 | S | S | * | * | 0 | 100.4 | 0 | -73.3 | -175.9 | 160.1 | 0 | 0 | 106.6 | |||||
| 2 | S | 43.4 | Very low | 47.9 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -86.6 | 140.4 | 177.8 | -49.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | S | 59.5 | Low | 47.7 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | -146.8 | 81.4 | 165.5 | -58.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 4 | D | 49.1 | Very low | 48 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | -65.2 | 129.1 | 162.3 | -61.6 | -52.2 | 0 | 0 | 0 | 108.3 | ||||
| 5 | N | 54.7 | Low | 47.8 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -117.4 | 93.9 | 167.9 | -158.8 | 21.5 | 0 | 0 | 0 | 108.7 | ||||
| 6 | S | 46.8 | Very low | 47.8 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -100.5 | 109.3 | 165.3 | -67.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 7 | T | 52 | Low | 47.7 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 82% | 0.82 | S | S | * | * | trans | -117.7 | 105.8 | 163.7 | 45.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | A | 40.7 | Very low | 47.4 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -51.1 | 142 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 9 | G | 41.2 | Very low | 47.3 | Very low | 62 Ų | 62 | 140.8 Ų | 140.8 | 64% | 0.639 | 82% | 0.82 | S | S | * | * | trans | -171.3 | 63.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S11 | G9-S11 PolarHBondContact O-N 3.04Å; G9-S11 PolarHBondContact O-OG 2.96Å | ||
| 10 | D | 43.7 | Very low | 47.2 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -50.2 | 103.3 | 170.4 | -79.4 | -41.4 | 0 | 0 | 0 | 109.9 | ||||
| 11 | S | 50.6 | Low | 47.4 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -96.4 | 104.1 | 171.4 | -52.9 | 0 | 0 | 0 | 0 | 106.8 | G9 L13 | G9-S11 PolarHBondContact O-N 3.04Å; G9-S11 PolarHBondContact O-OG 2.96Å; S11-L13 PolarHBondContact O-N 3.39Å; S11-L13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | A | 42.8 | Very low | 47.2 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -50.7 | 111.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 13 | L | 45.9 | Very low | 47.2 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -95.5 | 106.1 | 174.8 | -147.5 | 148.1 | 0 | 0 | 0 | 107.9 | S11 | S11-L13 PolarHBondContact O-N 3.39Å; S11-L13 VanDerWaalsContact O-N 3.09Å | ||
| 14 | F | 51.4 | Low | 46.2 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -5.1 | 110.8 | 168.6 | -154.2 | -102.2 | 0 | 0 | 0 | 116.3 | A16 | F14-A16 PolarHBondContact O-N 3.31Š| ||
| 15 | T | 45.9 | Very low | 45.8 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | -60.6 | 118.8 | 167.7 | 27.9 | 0 | 0 | 0 | 0 | 110.2 | E17 | T15-E17 VanDerWaalsContact C-N 3.3Å; T15-E17 PolarHBondContact O-N 3.44Å | ||
| 16 | A | 47.5 | Very low | 45.2 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -63.5 | 89.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F14 K18 | F14-A16 PolarHBondContact O-N 3.31Å; A16-K18 PolarHBondContact O-N 3.17Å | ||
| 17 | E | 44.9 | Very low | 44.7 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 111.1 | 168.4 | -70.8 | -173.8 | 114.9 | 0 | 0 | 109.2 | T15 | T15-E17 VanDerWaalsContact C-N 3.3Å; T15-E17 PolarHBondContact O-N 3.44Å | ||
| 18 | K | 42.9 | Very low | 44.4 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 55.9 | 81.6 | 148.3 | -59.8 | 170.8 | -177.6 | 166.4 | 0 | 116 | A16 S20 | A16-K18 PolarHBondContact O-N 3.17Å; K18-S20 PolarHBondContact O-N 2.69Å | ||
| 19 | Y | 46.6 | Very low | 44.3 | Very low | 213 Ų | 213 | 136.2 Ų | 136.2 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -78.5 | 103 | 152.9 | -168.6 | -99.6 | 0 | 0 | 0 | 108.4 | V21 | Y19-V21 HydrophobicContact CD1-CG2 3.9Å; Y19-V21 HydrophobicContact CE1-CG2 3.91Å | ||
| 20 | S | 43.6 | Very low | 45 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | -75 | 115.4 | 164.5 | 46.9 | 0 | 0 | 0 | 0 | 108.1 | K18 D22 | K18-S20 PolarHBondContact O-N 2.69Å; S20-D22 PolarHBondContact O-N 2.98Å | ||
| 21 | V | 51.7 | Low | 45.2 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | trans | -72.9 | 112 | 167.6 | 178 | 0 | 0 | 0 | 0 | 106.6 | Y19 E23 | Y19-V21 HydrophobicContact CD1-CG2 3.9Å; Y19-V21 HydrophobicContact CE1-CG2 3.91Å; V21-E23 PolarHBondContact O-N 3.22Å; V21-E23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | D | 45.6 | Very low | 45.5 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -66.9 | 102.3 | 165.3 | -73.2 | -42.8 | 0 | 0 | 0 | 107.8 | S20 S24 | S20-D22 PolarHBondContact O-N 2.98Å; D22-S24 PolarHBondContact O-N 3.26Å | ||
| 23 | E | 43.3 | Very low | 45.7 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -70.1 | 92.4 | 171.7 | -83.2 | -178.8 | 112.9 | 0 | 0 | 109.5 | V21 | V21-E23 PolarHBondContact O-N 3.22Å; V21-E23 VanDerWaalsContact O-N 3.08Å | ||
| 24 | S | 38.4 | Very low | 45.7 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | -135.1 | 91.5 | 155.4 | 62.6 | 0 | 0 | 0 | 0 | 108.2 | D22 | D22-S24 PolarHBondContact O-N 3.26Š| ||
| 25 | D | 41.1 | Very low | 45.6 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 150.2 | 124.2 | 135.5 | -70.8 | -29.4 | 0 | 0 | 0 | 113 | ||
| 26 | A | 42.7 | Very low | 46 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | trans | 75.1 | 90 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | G28 | A26-G28 PolarHBondContact O-N 3.39Š| ||
| 27 | D | 36.9 | Very low | 46.4 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 97% | 0.968 | 76% | 0.756 | S | S | * | * | 49.6 | 63 | 127.9 | -142 | 29.4 | 0 | 0 | 0 | 117 | |||||
| 28 | G | 45.1 | Very low | 47.3 | Very low | 56 Ų | 56 | 134.3 Ų | 134.3 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | trans | -144.6 | 94 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | A26 I30 | A26-G28 PolarHBondContact O-N 3.39Å; G28-I30 PolarHBondContact O-N 2.92Å | ||
| 29 | K | 38.7 | Very low | 48.6 | Very low | 185 Ų | 185 | 132 Ų | 132 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -56.7 | 94.8 | 179.1 | -170.9 | -177.9 | -179 | -171.9 | 0 | 110.7 | D31 | K29-D31 VanDerWaalsContact CE-OD1 3.25Å; K29-D31 WeakPolarHBondContact CE-OD1 3.46Å; K29-D31 WeakPolarHBondContact CG-OD1 3.48Å | ||
| 30 | I | 56 | Low | 50.3 | Low | 144 Ų | 144 | 126.4 Ų | 126.4 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | -95.5 | 106.9 | 168.6 | -58.3 | 177.2 | 0 | 0 | 0 | 106.6 | G28 V32 | G28-I30 PolarHBondContact O-N 2.92Å; I30-V32 HydrophobicContact CB-CG2 4.43Å; I30-V32 HydrophobicContact CG2-CG2 3.8Å; I30-V32 PolarHBondContact O-N 3.38Å | ||
| 31 | D | 48.1 | Very low | 52 | Low | 115 Ų | 115 | 133.2 Ų | 133.2 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | trans | -73.5 | 82.9 | -179.4 | -55.4 | -48.6 | 0 | 0 | 0 | 110.5 | K29 A33 | K29-D31 VanDerWaalsContact CE-OD1 3.25Å; K29-D31 WeakPolarHBondContact CE-OD1 3.46Å; K29-D31 WeakPolarHBondContact CG-OD1 3.48Å; D31-A33 PolarHBondContact O-N 2.91Å; D31-A33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | V | 57 | Low | 53.7 | Low | 126 Ų | 126 | 137.3 Ų | 137.3 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 19 | -177.7 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | I30 | I30-V32 HydrophobicContact CB-CG2 4.43Å; I30-V32 HydrophobicContact CG2-CG2 3.8Å; I30-V32 PolarHBondContact O-N 3.38Å |
| 33 | A | 46.8 | Very low | 55.8 | Low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 13.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | D31 | D31-A33 PolarHBondContact O-N 2.91Å; D31-A33 VanDerWaalsContact O-N 3.11Å |
| 34 | N | 44.6 | Very low | 57.9 | Low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -145.8 | 48.2 | 175.8 | -156.1 | 9 | 0 | 0 | 0 | 114.8 | ||
| 35 | T | 51 | Low | 60.3 | Low | 79 Ų | 79 | 136.9 Ų | 136.9 | 49% | 0.485 | 76% | 0.757 | S | S | . | * | trans | -126.8 | 39.9 | -175.9 | -22.3 | 0 | 0 | 0 | 0 | 112.3 | N37 Q38 | T35-N37 PolarHBondContact O-N 3.34Å; T35-Q38 HydrophobicContact CG2-CB 3.51Å; T35-Q38 HydrophobicContact CG2-CG 4.15Å; T35-Q38 WeakPolarHBondContact CG2-O 3.38Å | ||
| 36 | A | 53.7 | Low | 62.7 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 0.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 37 | N | 56.6 | Low | 65.1 | Low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.3 | 21 | -177.8 | -139 | 7.1 | 0 | 0 | 0 | 115.4 | T35 | T35-N37 PolarHBondContact O-N 3.34Š|
| 38 | Q | 62.3 | Low | 67.8 | Low | 146 Ų | 146 | 136.8 Ų | 136.8 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | trans | -120.3 | 112.6 | 168.3 | -52.6 | -172.7 | -30.3 | 0 | 0 | 109.6 | T35 | T35-Q38 HydrophobicContact CG2-CB 3.51Å; T35-Q38 HydrophobicContact CG2-CG 4.15Å; T35-Q38 WeakPolarHBondContact CG2-O 3.38Å | ||
| 39 | L | 71.4 | Confident | 70.1 | Confident | 138 Ų | 138 | 136.6 Ų | 136.6 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | trans | -58.8 | 145 | 172.3 | -78 | 81 | 0 | 0 | 0 | 109.3 | R41 | L39-R41 PolarHBondContact O-N 3.25Š| ||
| 40 | P | 81.2 | Confident | 72.7 | Confident | 95 Ų | 95 | 134.2 Ų | 134.2 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | trans | -54.4 | 138.2 | 175.8 | 23.5 | -33.4 | 0 | 0 | 0 | 110.4 | F42 | P40-F42 PolarHBondContact O-N 2.73Å; P40-F42 VanDerWaalsContact O-N 3.14Å | ||
| 41 | R | 80 | Confident | 74.5 | Confident | 231 Ų | 231 | 131.9 Ų | 131.9 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -58.6 | -29.6 | -173.5 | -71.3 | -167.5 | -174.6 | -93.6 | 1.2 | 113.9 | L39 | L39-R41 PolarHBondContact O-N 3.25Š|
| 42 | F | 87.7 | Confident | 76.5 | Confident | 193 Ų | 193 | 134.7 Ų | 134.7 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -129.3 | 127.6 | 174.2 | -64.4 | -72.4 | 0 | 0 | 0 | 108.8 | P40 | P40-F42 PolarHBondContact O-N 2.73Å; P40-F42 VanDerWaalsContact O-N 3.14Å | ||
| 43 | Q | 88.4 | Confident | 78 | Confident | 138 Ų | 138 | 138.4 Ų | 138.4 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | trans | -121.4 | 119.2 | 173 | -176.7 | 176.1 | 5.5 | 0 | 0 | 107.3 | T45 | Q43-T45 PolarHBondContact O-N 3.41Å; Q43-T45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | I | 88.3 | Confident | 79.2 | Confident | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -69.5 | 109.5 | 171.7 | -61.4 | 170.3 | 0 | 0 | 0 | 106.5 | F47 | I44-F47 HydrophobicContact CG2-CB 4.35Š| ||
| 45 | T | 88.8 | Confident | 80.5 | Confident | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -83.6 | -36.1 | -178.8 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | Q43 | Q43-T45 PolarHBondContact O-N 3.41Å; Q43-T45 VanDerWaalsContact O-N 3.11Å | ||
| 46 | K | 92 | Very high | 81.6 | Confident | 168 Ų | 168 | 142.3 Ų | 142.3 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | -153.2 | 133.6 | 178.7 | -173.6 | 172.3 | 179.8 | 171.8 | 0 | 109.6 | V48 | K46-V48 HydrophobicContact CG-CG2 4.44Š| ||
| 47 | F | 92.3 | Very high | 82.6 | Confident | 155 Ų | 155 | 138.5 Ų | 138.5 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | trans | -116.7 | 134 | 169.6 | -179.5 | -103.2 | 0 | 0 | 0 | 108.4 | I44 G49 | I44-F47 HydrophobicContact CG2-CB 4.35Å; F47-G49 VanDerWaalsContact CE1-CA 3.44Å | ||
| 48 | V | 93.2 | Very high | 83.3 | Confident | 111 Ų | 111 | 138.1 Ų | 138.1 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | trans | -119.7 | 102.7 | 169.9 | -178.5 | 0 | 0 | 0 | 0 | 106.3 | K46 | K46-V48 HydrophobicContact CG-CG2 4.44Š| ||
| 49 | G | 94 | Very high | 83.9 | Confident | 51 Ų | 51 | 132.7 Ų | 132.7 | 53% | 0.526 | 68% | 0.681 | S | S | . | * | trans | -80.3 | 137.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | F47 | F47-G49 VanDerWaalsContact CE1-CA 3.44Š| ||
| 50 | V | 94.2 | Very high | 84.4 | Confident | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | trans | -112.3 | 126.8 | 167 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 51 | A | 92.7 | Very high | 84.8 | Confident | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | trans | -116.7 | 142.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 52 | L | 91.1 | Very high | 85.4 | Confident | 173 Ų | 173 | 121.2 Ų | 121.2 | 91% | 0.906 | 62% | 0.624 | S | S | * | * | trans | -105.8 | 145.1 | 165.1 | -61.6 | 171.5 | 0 | 0 | 0 | 107 | ||||
| 53 | W | 86.9 | Confident | 85.6 | Confident | 205 Ų | 205 | 113.1 Ų | 113.1 | 78% | 0.777 | 59% | 0.592 | S | S | * | * | trans | -119.2 | 148.9 | 173.1 | 69 | -85.1 | 0 | 0 | 0 | 109.1 | Y55 | W53-Y55 HydrophobicContact CH2-CE2 4.4Å; W53-Y55 HydrophobicContact CZ3-CD2 4.33Å; W53-Y55 HydrophobicContact CZ3-CE1 4.26Å; W53-Y55 AromaticContact CZ3-CE2 3.97Å; W53-Y55 HydrophobicContact CZ3-CE2 3.97Å; W53-Y55 AromaticContact CZ3-CZ 3.93Å | ||
| 54 | S | 72.2 | Confident | 85.8 | Confident | 104 Ų | 104 | 109 Ų | 109 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | trans | -142.1 | 161.3 | 165.8 | 61.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 55 | Y | 72.1 | Confident | 86 | Confident | 137 Ų | 137 | 102.9 Ų | 102.9 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | trans | -66 | 138.8 | 165.9 | -63.4 | -71.5 | 0 | 0 | 0 | 109.2 | W53 I57 | W53-Y55 HydrophobicContact CH2-CE2 4.4Å; W53-Y55 HydrophobicContact CZ3-CD2 4.33Å; W53-Y55 HydrophobicContact CZ3-CE1 4.26Å; W53-Y55 AromaticContact CZ3-CE2 3.97Å; W53-Y55 HydrophobicContact CZ3-CE2 3.97Å; W53-Y55 AromaticContact CZ3-CZ 3.93Å; Y55-I57 VanDerWaalsContact C-N 3.26Å; Y55-I57 VanDerWaalsContact CB-CD1 3.45Å; Y55-I57 HydrophobicContact CD2-CD1 4.44Å; Y55-I57 HydrophobicContact CG-CD1 4.19Å; Y55-I57 PolarHBondContact O-N 2.78Å | ||
| 56 | D | 74.8 | Confident | 86.2 | Confident | 169 Ų | 169 | 103.7 Ų | 103.7 | 90% | 0.904 | 54% | 0.538 | S | S | * | . | trans | -77.8 | 81.3 | 172 | -177.1 | 17.8 | 0 | 0 | 0 | 108.9 | ||||
| 57 | I | 73.9 | Confident | 86.1 | Confident | 29 Ų | 29 | 96.6 Ų | 96.6 | 15% | 0.149 | 51% | 0.51 | C | S | . | . | trans | -115.6 | 128.1 | -177.5 | -55.4 | 174.9 | 0 | 0 | 0 | 107.8 | Y55 N59 I69 T99 | Y55-I57 VanDerWaalsContact C-N 3.26Å; Y55-I57 VanDerWaalsContact CB-CD1 3.45Å; Y55-I57 HydrophobicContact CD2-CD1 4.44Å; Y55-I57 HydrophobicContact CG-CD1 4.19Å; Y55-I57 PolarHBondContact O-N 2.78Å; I57-N59 WeakPolarHBondContact CG2-O 3.12Å; I57-N59 PolarHBondContact O-N 2.81Å; I57-I69 HydrophobicContact CD1-CG1 4.48Å; I57-I69 HydrophobicContact CD1-CG2 3.81Å; I57-T99 HydrophobicContact CG2-CG2 3.98Å; I57-T99 WeakPolarHBondContact CG2-OG1 3.22Å | ||
| 58 | K | 72.2 | Confident | 86 | Confident | 146 Ų | 146 | 92.7 Ų | 92.7 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -62.5 | -26.7 | 177.2 | -68.3 | -170.2 | 176.2 | -178.1 | 0 | 113.3 | T97 | K58-T97 WeakPolarHBondContact CD-OG1 3.34Å; K58-T97 WeakPolarHBondContact CE-OG1 3.42Å; K58-T97 PolarHBondContact NZ-OG1 3.06Å |
| 59 | N | 74.7 | Confident | 85.8 | Confident | 33 Ų | 33 | 87.6 Ų | 87.6 | 18% | 0.176 | 47% | 0.467 | C | S | . | . | trans | -138.2 | 113.9 | -174.7 | -63.5 | 87.7 | 0 | 0 | 0 | 110.9 | I57 W61 | I57-N59 WeakPolarHBondContact CG2-O 3.12Å; I57-N59 PolarHBondContact O-N 2.81Å; N59-W61 PolarHBondContact O-N 3.4Å | ||
| 60 | D | 82 | Confident | 85.4 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -73.6 | -5.4 | 175.7 | -69.3 | -31.5 | 0 | 0 | 0 | 114 | T68 I69 | D60-T68 CarbonylContact O-C 3.52Å; D60-T68 VanDerWaalsContact O-CA 3.26Å; D60-T68 WeakPolarHBondContact O-CA 3.22Å; D60-I69 PolarHBondContact O-N 3.04Å |
| 61 | W | 89 | Confident | 84.9 | Confident | 120 Ų | 120 | 89.2 Ų | 89.2 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -122.7 | 136.7 | -175.9 | 57 | -85.1 | 0 | 0 | 0 | 110.6 | N59 A63 | N59-W61 PolarHBondContact O-N 3.4Å; W61-A63 HydrophobicContact CE3-CB 3.98Å; W61-A63 HydrophobicContact CH2-CB 3.99Å; W61-A63 HydrophobicContact CZ3-CB 3.31Å; W61-A63 PolarHBondContact O-N 2.82Å |
| 62 | C | 92.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 43% | 0.433 | C | S | . | . | trans | -78.9 | 118.4 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | I64 C65 H66 C67 H101 | C62-I64 PolarHBondContact O-N 3.16Å; C62-C65 VanDerWaalsContact CB-SG 3.54Å; C62-C65 PolarHBondContact O-N 3.37Å; C62-H66 VanDerWaalsContact O-CA 3.31Å; C62-H66 WeakPolarHBondContact O-CA 3.37Å; C62-H66 PolarHBondContact O-N 2.85Å; C62-C67 PolarHBondContact N-O 3.05Å; C62-H101 WeakPolarHBondContact CB-ND1 3.16Å | ||
| 63 | A | 92.2 | Very high | 84.6 | Confident | 22 Ų | 22 | 79.3 Ų | 79.3 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W61 F100 L117 | W61-A63 HydrophobicContact CE3-CB 3.98Å; W61-A63 HydrophobicContact CH2-CB 3.99Å; W61-A63 HydrophobicContact CZ3-CB 3.31Å; W61-A63 PolarHBondContact O-N 2.82Å; A63-F100 HydrophobicContact CB-CE1 3.9Å; A63-L117 HydrophobicContact CB-CD2 4.14Å; A63-L117 HydrophobicContact CB-CG 4.46Å |
| 64 | I | 92.5 | Very high | 84.7 | Confident | 51 Ų | 51 | 74 Ų | 74 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -44.8 | -177.3 | -60.6 | 168.3 | 0 | 0 | 0 | 111.1 | C62 F100 C104 I105 W108 P116 | C62-I64 PolarHBondContact O-N 3.16Å; I64-F100 HydrophobicContact CD1-CD1 4.06Å; I64-F100 HydrophobicContact CD1-CG 4.28Å; I64-F100 HydrophobicContact CG1-CD1 4.24Å; I64-C104 HydrophobicContact CB-CB 3.91Å; I64-C104 HydrophobicContact CD1-CB 3.94Å; I64-C104 HydrophobicContact CG2-CB 3.91Å; I64-I105 HydrophobicContact CD1-CD1 4.3Å; I64-W108 HydrophobicContact CD1-CB 3.99Å; I64-W108 HydrophobicContact CD1-CG 4.44Å; I64-P116 HydrophobicContact CD1-CG 4.15Å; I64-P116 HydrophobicContact CG1-CG 4.14Å |
| 65 | C | 93.2 | Very high | 85.4 | Confident | 19 Ų | 19 | 71 Ų | 71 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -10.5 | -178.4 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | C62 C67 L74 H101 | C62-C65 VanDerWaalsContact CB-SG 3.54Å; C62-C65 PolarHBondContact O-N 3.37Å; C65-C67 PolarHBondContact O-N 2.83Å; C65-C67 VanDerWaalsContact O-N 3.16Å; C65-C67 PolarHBondContact SG-N 3.43Å; C65-L74 HydrophobicContact CB-CB 4.17Å; C65-H101 PolarHBondContact SG-ND1 3.32Å |
| 66 | H | 92.4 | Very high | 86.1 | Confident | 150 Ų | 150 | 65 Ų | 65 | 69% | 0.694 | 34% | 0.336 | S | S | * | . | trans | 59.5 | 16.2 | -174.6 | -55.3 | -83.7 | 0 | 0 | 0 | 114.7 | C62 | C62-H66 VanDerWaalsContact O-CA 3.31Å; C62-H66 WeakPolarHBondContact O-CA 3.37Å; C62-H66 PolarHBondContact O-N 2.85Å | ||
| 67 | C | 90 | Very high | 86.6 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -87.7 | 158.3 | 168.9 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | C62 C65 | C62-C67 PolarHBondContact N-O 3.05Å; C65-C67 PolarHBondContact O-N 2.83Å; C65-C67 VanDerWaalsContact O-N 3.16Å; C65-C67 PolarHBondContact SG-N 3.43Å |
| 68 | T | 91 | Very high | 87 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 144.8 | 172.2 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | D60 N70 E71 H101 | D60-T68 CarbonylContact O-C 3.52Å; D60-T68 VanDerWaalsContact O-CA 3.26Å; D60-T68 WeakPolarHBondContact O-CA 3.22Å; T68-N70 PolarHBondContact O-N 3.41Å; T68-E71 PolarHBondContact O-N 3.03Å; T68-E71 VanDerWaalsContact O-N 3.1Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.24Å; T68-H101 PolarHBondContact O-CE1 3.23Å; T68-H101 VanDerWaalsContact O-CE1 3.27Å; T68-H101 PolarHBondContact O-NE2 3.3Å |
| 69 | I | 88.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.2 | -174.5 | -165.8 | 55.3 | 0 | 0 | 0 | 113.1 | I57 D60 P91 T99 F100 H101 | I57-I69 HydrophobicContact CD1-CG1 4.48Å; I57-I69 HydrophobicContact CD1-CG2 3.81Å; D60-I69 PolarHBondContact O-N 3.04Å; I69-P91 HydrophobicContact CD1-CB 3.72Å; I69-P91 HydrophobicContact CG1-CB 3.62Å; I69-T99 HydrophobicContact CD1-CG2 3.84Å; I69-T99 HydrophobicContact CG1-CG2 3.69Å; I69-F100 VanDerWaalsContact CD1-C 3.43Å; I69-H101 PolarHBondContact O-NE2 3.28Å |
| 70 | N | 84.9 | Confident | 86.6 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.3 | 176.9 | -61.7 | -30.4 | 0 | 0 | 0 | 113.3 | T68 | T68-N70 PolarHBondContact O-N 3.41Š|
| 71 | E | 83.9 | Confident | 85.4 | Confident | 113 Ų | 113 | 65.9 Ų | 65.9 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -96.1 | 167.1 | 177.6 | -68.6 | -65.3 | 155.7 | 0 | 0 | 110.8 | T68 H101 | T68-E71 PolarHBondContact O-N 3.03Å; T68-E71 VanDerWaalsContact O-N 3.1Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.24Å; E71-H101 PolarHBondContact O-NE2 2.99Å |
| 72 | L | 87 | Confident | 83.9 | Confident | 59 Ų | 59 | 70 Ų | 70 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 144.4 | 169.7 | -67.9 | 145.8 | 0 | 0 | 0 | 110.2 | C76 Q77 L87 C89 | L72-C76 HydrophobicContact CB-CB 3.98Å; L72-C76 HydrophobicContact CD2-CB 3.84Å; L72-Q77 HydrophobicContact CB-CG 3.94Å; L72-Q77 PolarHBondContact O-NE2 3.14Å; L72-L87 WeakPolarHBondContact CD2-O 3.34Å; L72-C89 HydrophobicContact CD2-CB 4.48Å |
| 73 | C | 91 | Very high | 82.5 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 159.6 | 172.9 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | A75 C76 Q77 H101 C104 | C73-A75 PolarHBondContact O-N 3Å; C73-C76 PolarHBondContact O-N 3.14Å; C73-Q77 WeakPolarHBondContact O-CG 3.41Å; C73-Q77 PolarHBondContact O-N 2.87Å; C73-H101 HydrophobicContact CB-CB 3.96Å; C73-C104 VanDerWaalsContact CB-SG 3.53Å |
| 74 | L | 88.5 | Confident | 81 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -53.8 | -33.2 | -177.1 | -173.3 | 62.3 | 0 | 0 | 0 | 113.7 | C65 Q77 T78 | C65-L74 HydrophobicContact CB-CB 4.17Å; L74-Q77 PolarHBondContact O-N 2.89Å; L74-T78 WeakPolarHBondContact O-CG2 3.38Å; L74-T78 PolarHBondContact O-N 2.82Å; L74-T78 PolarHBondContact O-OG1 3.13Å |
| 75 | A | 86.5 | Confident | 79.4 | Confident | 39 Ų | 39 | 79.2 Ų | 79.2 | 32% | 0.322 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C73 Q77 T78 E79 | C73-A75 PolarHBondContact O-N 3Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.91Å; A75-T78 PolarHBondContact O-N 3.16Å; A75-T78 PolarHBondContact O-OG1 3.17Å; A75-E79 PolarHBondContact O-N 3.13Å |
| 76 | C | 87 | Confident | 77.7 | Confident | 11 Ų | 11 | 82.2 Ų | 82.2 | 7% | 0.074 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.9 | -29.2 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | L72 C73 T78 Q86 H103 | L72-C76 HydrophobicContact CB-CB 3.98Å; L72-C76 HydrophobicContact CD2-CB 3.84Å; C73-C76 PolarHBondContact O-N 3.14Å; C76-T78 VanDerWaalsContact C-N 3.32Å; C76-Q86 PolarHBondContact SG-O 3.48Å; C76-H103 VanDerWaalsContact SG-CE1 3.59Å; C76-H103 PolarHBondContact SG-ND1 3.05Å |
| 77 | Q | 85.4 | Confident | 76.4 | Confident | 92 Ų | 92 | 79.2 Ų | 79.2 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 174.5 | -68.9 | -177.8 | 16.7 | 0 | 0 | 112.4 | L72 C73 L74 A75 | L72-Q77 HydrophobicContact CB-CG 3.94Å; L72-Q77 PolarHBondContact O-NE2 3.14Å; C73-Q77 WeakPolarHBondContact O-CG 3.41Å; C73-Q77 PolarHBondContact O-N 2.87Å; L74-Q77 PolarHBondContact O-N 2.89Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.91Å |
| 78 | T | 82.7 | Confident | 75.8 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 59% | 0.589 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -83.1 | -23.7 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | L74 A75 C76 D80 | L74-T78 WeakPolarHBondContact O-CG2 3.38Å; L74-T78 PolarHBondContact O-N 2.82Å; L74-T78 PolarHBondContact O-OG1 3.13Å; A75-T78 PolarHBondContact O-N 3.16Å; A75-T78 PolarHBondContact O-OG1 3.17Å; C76-T78 VanDerWaalsContact C-N 3.32Å; T78-D80 PolarHBondContact O-N 2.84Å |
| 79 | E | 75.9 | Confident | 75.5 | Confident | 97 Ų | 97 | 82.6 Ų | 82.6 | 45% | 0.453 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -90.1 | 91.6 | 179.2 | -69.6 | 179.7 | -176.5 | 0 | 0 | 108.6 | A75 A81 Q86 | A75-E79 PolarHBondContact O-N 3.13Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.2Å; E79-Q86 VanDerWaalsContact OE2-CD 3.24Å; E79-Q86 PolarHBondContact OE2-NE2 2.93Å; E79-Q86 PolarHBondContact OE2-OE1 3Å |
| 80 | D | 61.4 | Low | 75.4 | Confident | 141 Ų | 141 | 85 Ų | 85 | 75% | 0.754 | 46% | 0.464 | S | S | * | . | trans | -59.2 | 88.9 | 176.4 | -69.7 | -40 | 0 | 0 | 0 | 111.2 | T78 K82 | T78-D80 PolarHBondContact O-N 2.84Å; D80-K82 VanDerWaalsContact C-N 3.33Å; D80-K82 PolarHBondContact O-N 3.05Å | ||
| 81 | A | 57.3 | Low | 75.6 | Confident | 73 Ų | 73 | 82.6 Ų | 82.6 | 60% | 0.603 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 44.4 | 34.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | E79 | E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.2Å |
| 82 | K | 58.4 | Low | 76 | Confident | 208 Ų | 208 | 77.8 Ų | 77.8 | 90% | 0.904 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -90.7 | -20.8 | 175.5 | -75.5 | -175.5 | -175.5 | 177.9 | 0 | 114.5 | D80 | D80-K82 VanDerWaalsContact C-N 3.33Å; D80-K82 PolarHBondContact O-N 3.05Å |
| 83 | D | 61.7 | Low | 76.1 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | trans | -129.8 | 112.6 | 177.3 | -160.4 | -26.2 | 0 | 0 | 0 | 108.7 | S85 Q86 | D83-S85 PolarHBondContact O-N 3.04Å; D83-S85 WeakPolarHBondContact OD1-CB 3.16Å; D83-S85 PolarHBondContact OD1-N 3.46Å; D83-S85 PolarHBondContact OD1-OG 3.45Å; D83-S85 PolarHBondContact OD2-OG 3.27Å; D83-Q86 PolarHBondContact O-N 2.87Å | ||
| 84 | S | 60.6 | Low | 76.1 | Confident | 101 Ų | 101 | 76.7 Ų | 76.7 | 71% | 0.706 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -58.4 | -19.2 | -179.7 | 46.4 | 0 | 0 | 0 | 0 | 112.9 | Q86 L87 | S84-Q86 VanDerWaalsContact C-N 3.29Å; S84-Q86 PolarHBondContact O-N 3.47Å; S84-L87 PolarHBondContact O-N 3.08Å |
| 85 | S | 59 | Low | 76.3 | Confident | 80 Ų | 80 | 75.2 Ų | 75.2 | 56% | 0.559 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -70.5 | -20.6 | 176.8 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | D83 | D83-S85 PolarHBondContact O-N 3.04Å; D83-S85 WeakPolarHBondContact OD1-CB 3.16Å; D83-S85 PolarHBondContact OD1-N 3.46Å; D83-S85 PolarHBondContact OD1-OG 3.45Å; D83-S85 PolarHBondContact OD2-OG 3.27Å |
| 86 | Q | 58.5 | Low | 76.5 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 38% | 0.383 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -92.9 | -9.7 | 178.5 | -65.2 | -178.1 | -52.4 | 0 | 0 | 113.5 | C76 E79 D83 S84 E88 | C76-Q86 PolarHBondContact SG-O 3.48Å; E79-Q86 VanDerWaalsContact OE2-CD 3.24Å; E79-Q86 PolarHBondContact OE2-NE2 2.93Å; E79-Q86 PolarHBondContact OE2-OE1 3Å; D83-Q86 PolarHBondContact O-N 2.87Å; S84-Q86 VanDerWaalsContact C-N 3.29Å; S84-Q86 PolarHBondContact O-N 3.47Å; Q86-E88 VanDerWaalsContact C-N 3.3Å |
| 87 | L | 65.4 | Low | 76.6 | Confident | 88 Ų | 88 | 77 Ų | 77 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -78 | -14.6 | 179.7 | -72.6 | 171.3 | 0 | 0 | 0 | 113 | L72 S84 C89 | L72-L87 WeakPolarHBondContact CD2-O 3.34Å; S84-L87 PolarHBondContact O-N 3.08Å; L87-C89 PolarHBondContact O-N 3.28Å |
| 88 | E | 76.5 | Confident | 76.9 | Confident | 151 Ų | 151 | 74.3 Ų | 74.3 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | trans | -96.1 | 94.3 | 174.7 | -161.1 | 168.8 | -172.7 | 0 | 0 | 108.6 | Q86 P90 | Q86-E88 VanDerWaalsContact C-N 3.3Å; E88-P90 WeakPolarHBondContact O-CD 3.21Å | ||
| 89 | C | 84.9 | Confident | 77.3 | Confident | 13 Ų | 13 | 70 Ų | 70 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | trans | -107.9 | 69.8 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 109 | L72 L87 H101 | L72-C89 HydrophobicContact CD2-CB 4.48Å; L87-C89 PolarHBondContact O-N 3.28Å; C89-H101 VanDerWaalsContact SG-CB 3.59Å | ||
| 90 | P | 87.6 | Confident | 78.2 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | trans | -67.3 | 151.1 | -169.7 | 29.6 | -35.2 | 0 | 0 | 0 | 111 | E88 T92 D102 | E88-P90 WeakPolarHBondContact O-CD 3.21Å; P90-T92 PolarHBondContact O-N 2.95Å; P90-D102 HydrophobicContact CG-CB 4.12Å; P90-D102 WeakPolarHBondContact O-CB 3.47Å; P90-D102 PolarHBondContact O-N 2.76Å | ||
| 91 | P | 89.2 | Confident | 79.6 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.5 | 171.3 | 30.9 | -35.8 | 0 | 0 | 0 | 110.6 | I69 T99 | I69-P91 HydrophobicContact CD1-CB 3.72Å; I69-P91 HydrophobicContact CG1-CB 3.62Å; P91-T99 HydrophobicContact CB-CG2 4.03Å |
| 92 | T | 90.8 | Very high | 81.2 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.2 | 176 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | P90 T99 F100 D102 W122 | P90-T92 PolarHBondContact O-N 2.95Å; T92-T99 WeakPolarHBondContact O-CA 3.48Å; T92-F100 PolarHBondContact N-O 3Å; T92-F100 PolarHBondContact O-N 2.79Å; T92-D102 WeakPolarHBondContact OG1-CB 3.35Å; T92-D102 PolarHBondContact OG1-OD1 3.47Å; T92-W122 HydrophobicContact CG2-CZ2 4.04Å |
| 93 | V | 90.6 | Very high | 82.8 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 22% | 0.218 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.4 | 177.9 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | T99 Q125 | V93-T99 HydrophobicContact CG2-CG2 3.93Å; V93-Q125 WeakPolarHBondContact O-CB 3.31Å; V93-Q125 PolarHBondContact O-N 3.07Å |
| 94 | G | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 162.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C96 T97 H98 W122 R123 | G94-C96 PolarHBondContact O-N 3.41Å; G94-C96 VanDerWaalsContact O-N 3.16Å; G94-T97 WeakPolarHBondContact O-CA 3.45Å; G94-T97 PolarHBondContact O-N 3.17Å; G94-H98 PolarHBondContact N-O 2.73Å; G94-W122 VanDerWaalsContact CA-CH2 3.43Å; G94-W122 VanDerWaalsContact N-CH2 3.28Å; G94-R123 CarbonylContact C-O 3.52Å; G94-R123 WeakPolarHBondContact CA-O 3.38Å |
| 95 | V | 91.5 | Very high | 85.9 | Confident | 65 Ų | 65 | 42 Ų | 42 | 39% | 0.394 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -27 | 171.4 | -176 | 0 | 0 | 0 | 0 | 111.4 | T97 R123 E128 | V95-T97 PolarHBondContact O-N 2.9Å; V95-T97 VanDerWaalsContact O-N 3.13Å; V95-R123 HydrophobicContact CB-CB 4.43Å; V95-R123 HydrophobicContact CG2-CB 3.63Å; V95-R123 WeakPolarHBondContact CG2-O 3.26Å; V95-R123 PolarHBondContact N-O 3.08Å; V95-E128 WeakPolarHBondContact CG1-OE2 3.39Å; V95-E128 HydrophobicContact CG2-CG 4.08Å; V95-E128 WeakPolarHBondContact CG2-OE2 3.25Å |
| 96 | C | 91.1 | Very high | 87.5 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 2 | 169.1 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | G94 H98 D118 | G94-C96 PolarHBondContact O-N 3.41Å; G94-C96 VanDerWaalsContact O-N 3.16Å; C96-H98 PolarHBondContact O-N 3.18Å; C96-D118 WeakPolarHBondContact CB-OD2 3.12Å |
| 97 | T | 89.3 | Confident | 89.1 | Confident | 58 Ų | 58 | 46.1 Ų | 46.1 | 36% | 0.356 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 63.5 | 9.1 | -176.2 | 66.3 | 0 | 0 | 0 | 0 | 115.6 | K58 G94 V95 | K58-T97 WeakPolarHBondContact CD-OG1 3.34Å; K58-T97 WeakPolarHBondContact CE-OG1 3.42Å; K58-T97 PolarHBondContact NZ-OG1 3.06Å; G94-T97 WeakPolarHBondContact O-CA 3.45Å; G94-T97 PolarHBondContact O-N 3.17Å; V95-T97 PolarHBondContact O-N 2.9Å; V95-T97 VanDerWaalsContact O-N 3.13Å |
| 98 | H | 91.1 | Very high | 90.5 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -84 | 138.1 | 172.4 | -64.7 | 126.5 | 0 | 0 | 0 | 110.8 | G94 C96 F100 C115 L117 D118 | G94-H98 PolarHBondContact N-O 2.73Å; C96-H98 PolarHBondContact O-N 3.18Å; H98-F100 HydrophobicContact CB-CE2 3.75Å; H98-F100 HydrophobicContact CB-CZ 3.92Å; H98-C115 PolarHBondContact ND1-SG 3.24Å; H98-C115 VanDerWaalsContact ND1-SG 3.41Å; H98-L117 HydrophobicContact CB-CD1 4.01Å; H98-L117 WeakPolarHBondContact CD2-CD1 3.38Å; H98-D118 IonicContact CE1-OD2 3.74Å; H98-D118 IonicContact ND1-OD2 3.63Å | ||
| 99 | T | 92.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.9 | -174.9 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | I57 I69 P91 T92 V93 | I57-T99 HydrophobicContact CG2-CG2 3.98Å; I57-T99 WeakPolarHBondContact CG2-OG1 3.22Å; I69-T99 HydrophobicContact CD1-CG2 3.84Å; I69-T99 HydrophobicContact CG1-CG2 3.69Å; P91-T99 HydrophobicContact CB-CG2 4.03Å; T92-T99 WeakPolarHBondContact O-CA 3.48Å; V93-T99 HydrophobicContact CG2-CG2 3.93Å |
| 100 | F | 93.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.2 | 178.1 | -55.3 | -73.6 | 0 | 0 | 0 | 109.1 | A63 I64 I69 T92 H98 I105 P116 L117 W122 | A63-F100 HydrophobicContact CB-CE1 3.9Å; I64-F100 HydrophobicContact CD1-CD1 4.06Å; I64-F100 HydrophobicContact CD1-CG 4.28Å; I64-F100 HydrophobicContact CG1-CD1 4.24Å; I69-F100 VanDerWaalsContact CD1-C 3.43Å; T92-F100 PolarHBondContact N-O 3Å; T92-F100 PolarHBondContact O-N 2.79Å; H98-F100 HydrophobicContact CB-CE2 3.75Å; H98-F100 HydrophobicContact CB-CZ 3.92Å; F100-I105 HydrophobicContact CB-CB 3.95Å; F100-I105 HydrophobicContact CD2-CB 4.41Å; F100-I105 HydrophobicContact CD2-CD1 3.9Å; F100-I105 HydrophobicContact CD2-CG1 4.23Å; F100-I105 HydrophobicContact CE2-CD1 4.28Å; F100-I105 HydrophobicContact CG-CB 4.46Å; F100-I105 HydrophobicContact CG-CD1 4.46Å; F100-P116 HydrophobicContact CE1-CG 4.34Å; F100-P116 HydrophobicContact CZ-CG 4.11Å; F100-L117 HydrophobicContact CE1-CD1 4.14Å; F100-L117 HydrophobicContact CE1-CG 4.43Å; F100-L117 HydrophobicContact CZ-CD1 3.86Å; F100-L117 HydrophobicContact CZ-CG 4.08Å; F100-W122 AromaticContact CD2-CH2 3.6Å; F100-W122 HydrophobicContact CD2-CH2 3.6Å; F100-W122 AromaticContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CE2-CE3 4.32Å; F100-W122 HydrophobicContact CE2-CH2 4.02Å; F100-W122 AromaticContact CE2-CZ3 3.5Å; F100-W122 HydrophobicContact CE2-CZ3 3.5Å; F100-W122 VanDerWaalsContact CE2-CZ3 3.5Å |
| 101 | H | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 139 | 165.1 | -65.9 | 119.1 | 0 | 0 | 0 | 110.6 | C62 C65 T68 I69 E71 C73 C89 H103 C104 I105 | C62-H101 WeakPolarHBondContact CB-ND1 3.16Å; C65-H101 PolarHBondContact SG-ND1 3.32Å; T68-H101 PolarHBondContact O-CE1 3.23Å; T68-H101 VanDerWaalsContact O-CE1 3.27Å; T68-H101 PolarHBondContact O-NE2 3.3Å; I69-H101 PolarHBondContact O-NE2 3.28Å; E71-H101 PolarHBondContact O-NE2 2.99Å; C73-H101 HydrophobicContact CB-CB 3.96Å; C89-H101 VanDerWaalsContact SG-CB 3.59Å; H101-H103 VanDerWaalsContact C-N 3.29Å; H101-H103 PolarHBondContact O-N 3.31Å; H101-C104 HydrophobicContact CB-CB 3.92Å; H101-C104 WeakPolarHBondContact O-CB 3.46Å; H101-C104 PolarHBondContact O-N 2.75Å; H101-I105 WeakPolarHBondContact O-CG2 3.47Å; H101-I105 PolarHBondContact O-N 2.76Å |
| 102 | D | 91.5 | Very high | 92.2 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52 | -47.2 | 178.4 | -178.8 | 67.2 | 0 | 0 | 0 | 111.7 | P90 T92 C104 I105 N106 | P90-D102 HydrophobicContact CG-CB 4.12Å; P90-D102 WeakPolarHBondContact O-CB 3.47Å; P90-D102 PolarHBondContact O-N 2.76Å; T92-D102 WeakPolarHBondContact OG1-CB 3.35Å; T92-D102 PolarHBondContact OG1-OD1 3.47Å; D102-C104 VanDerWaalsContact C-N 3.35Å; D102-C104 PolarHBondContact O-N 3.25Å; D102-I105 WeakPolarHBondContact O-CG2 3.09Å; D102-I105 PolarHBondContact O-N 3.48Å; D102-N106 WeakPolarHBondContact O-CB 3.1Å; D102-N106 PolarHBondContact O-N 2.93Å; D102-N106 PolarHBondContact O-ND2 3.44Å; D102-N106 VanDerWaalsContact O-ND2 3.16Å; D102-N106 PolarHBondContact OD1-ND2 2.95Å; D102-N106 PolarHBondContact OD2-ND2 2.82Å |
| 103 | H | 91.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.8 | -66.5 | 158.4 | 0 | 0 | 0 | 113.7 | C76 H101 R107 | C76-H103 VanDerWaalsContact SG-CE1 3.59Å; C76-H103 PolarHBondContact SG-ND1 3.05Å; H101-H103 VanDerWaalsContact C-N 3.29Å; H101-H103 PolarHBondContact O-N 3.31Å; H103-R107 VanDerWaalsContact O-CB 3.24Å; H103-R107 WeakPolarHBondContact O-CB 3.38Å; H103-R107 PolarHBondContact O-N 3.19Å |
| 104 | C | 93.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -48 | 179.8 | -71.7 | 0 | 0 | 0 | 0 | 111.2 | I64 C73 H101 D102 R107 W108 | I64-C104 HydrophobicContact CB-CB 3.91Å; I64-C104 HydrophobicContact CD1-CB 3.94Å; I64-C104 HydrophobicContact CG2-CB 3.91Å; C73-C104 VanDerWaalsContact CB-SG 3.53Å; H101-C104 HydrophobicContact CB-CB 3.92Å; H101-C104 WeakPolarHBondContact O-CB 3.46Å; H101-C104 PolarHBondContact O-N 2.75Å; D102-C104 VanDerWaalsContact C-N 3.35Å; D102-C104 PolarHBondContact O-N 3.25Å; C104-R107 PolarHBondContact O-N 3.27Å; C104-W108 PolarHBondContact O-N 3.47Å |
| 105 | I | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 179.8 | -167.1 | 58.4 | 0 | 0 | 0 | 111 | I64 F100 H101 D102 R107 W108 L109 W122 | I64-I105 HydrophobicContact CD1-CD1 4.3Å; F100-I105 HydrophobicContact CB-CB 3.95Å; F100-I105 HydrophobicContact CD2-CB 4.41Å; F100-I105 HydrophobicContact CD2-CD1 3.9Å; F100-I105 HydrophobicContact CD2-CG1 4.23Å; F100-I105 HydrophobicContact CE2-CD1 4.28Å; F100-I105 HydrophobicContact CG-CB 4.46Å; F100-I105 HydrophobicContact CG-CD1 4.46Å; H101-I105 WeakPolarHBondContact O-CG2 3.47Å; H101-I105 PolarHBondContact O-N 2.76Å; D102-I105 WeakPolarHBondContact O-CG2 3.09Å; D102-I105 PolarHBondContact O-N 3.48Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 3.29Å; I105-W108 HydrophobicContact CD1-CB 4.46Å; I105-W108 WeakPolarHBondContact O-CB 3.48Å; I105-W108 PolarHBondContact O-N 3.48Å; I105-L109 HydrophobicContact CD1-CG 4.32Å; I105-L109 HydrophobicContact CG1-CD1 4.06Å; I105-L109 HydrophobicContact CG1-CG 4.15Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 WeakPolarHBondContact O-CG 3.46Å; I105-L109 PolarHBondContact O-N 2.84Å; I105-W122 HydrophobicContact CB-CZ2 4.46Å; I105-W122 HydrophobicContact CD1-CD2 3.94Å; I105-W122 HydrophobicContact CD1-CE3 3.95Å; I105-W122 HydrophobicContact CD1-CH2 4.38Å; I105-W122 HydrophobicContact CD1-CZ2 4.38Å; I105-W122 HydrophobicContact CD1-CZ3 4.2Å; I105-W122 HydrophobicContact CG1-CD2 3.83Å; I105-W122 HydrophobicContact CG1-CE3 4.19Å; I105-W122 HydrophobicContact CG1-CG 4.46Å; I105-W122 HydrophobicContact CG1-CH2 3.98Å; I105-W122 HydrophobicContact CG1-CZ2 3.6Å; I105-W122 HydrophobicContact CG1-CZ3 4.28Å; I105-W122 HydrophobicContact CG2-CZ2 4.29Å |
| 106 | N | 92.7 | Very high | 92.6 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -33.7 | 176.7 | -73.5 | -28.4 | 0 | 0 | 0 | 112.5 | D102 R110 | D102-N106 WeakPolarHBondContact O-CB 3.1Å; D102-N106 PolarHBondContact O-N 2.93Å; D102-N106 PolarHBondContact O-ND2 3.44Å; D102-N106 VanDerWaalsContact O-ND2 3.16Å; D102-N106 PolarHBondContact OD1-ND2 2.95Å; D102-N106 PolarHBondContact OD2-ND2 2.82Å; N106-R110 WeakPolarHBondContact O-CG 3.37Å |
| 107 | R | 92.6 | Very high | 92.7 | Very high | 184 Ų | 184 | 62.2 Ų | 62.2 | 69% | 0.694 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.8 | -43.2 | 171.5 | -176.8 | 174.1 | -178.8 | 159.5 | -0.1 | 112.1 | H103 C104 I105 R110 | H103-R107 VanDerWaalsContact O-CB 3.24Å; H103-R107 WeakPolarHBondContact O-CB 3.38Å; H103-R107 PolarHBondContact O-N 3.19Å; C104-R107 PolarHBondContact O-N 3.27Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 3.29Å; R107-R110 WeakPolarHBondContact O-CB 3.33Å; R107-R110 PolarHBondContact O-N 3.1Å |
| 108 | W | 94.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 62 Ų | 62 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.3 | 179.8 | -91.5 | 0 | 0 | 0 | 112.4 | I64 C104 I105 R110 T111 Q112 V114 P116 | I64-W108 HydrophobicContact CD1-CB 3.99Å; I64-W108 HydrophobicContact CD1-CG 4.44Å; C104-W108 PolarHBondContact O-N 3.47Å; I105-W108 HydrophobicContact CD1-CB 4.46Å; I105-W108 WeakPolarHBondContact O-CB 3.48Å; I105-W108 PolarHBondContact O-N 3.48Å; W108-R110 PolarHBondContact O-N 3.26Å; W108-T111 PolarHBondContact O-N 2.9Å; W108-T111 PolarHBondContact O-OG1 3.16Å; W108-Q112 HydrophobicContact CZ2-CB 4.44Å; W108-Q112 PolarHBondContact O-N 3.02Å; W108-V114 PolarHBondContact NE1-O 3.46Å; W108-P116 HydrophobicContact CD2-CG 3.95Å; W108-P116 HydrophobicContact CG-CG 4.16Å; W108-P116 HydrophobicContact CZ2-CB 4.16Å; W108-P116 HydrophobicContact CZ2-CG 4.13Å |
| 109 | L | 94.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 66.1 Ų | 66.1 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.5 | 179.6 | -67.3 | 173.5 | 0 | 0 | 0 | 114.4 | I105 T111 Q112 R113 W122 | I105-L109 HydrophobicContact CD1-CG 4.32Å; I105-L109 HydrophobicContact CG1-CD1 4.06Å; I105-L109 HydrophobicContact CG1-CG 4.15Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 WeakPolarHBondContact O-CG 3.46Å; I105-L109 PolarHBondContact O-N 2.84Å; L109-T111 VanDerWaalsContact C-N 3.35Å; L109-Q112 WeakPolarHBondContact CA-O 3.18Å; L109-R113 WeakPolarHBondContact O-CD 2.88Å; L109-R113 PolarHBondContact O-NE 3.25Å; L109-W122 HydrophobicContact CD1-CG 4.07Å; L109-W122 HydrophobicContact CD2-CB 3.47Å; L109-W122 VanDerWaalsContact CD2-CB 3.47Å; L109-W122 HydrophobicContact CD2-CG 3.61Å; L109-W122 HydrophobicContact CG-CG 4.37Å |
| 110 | R | 93.8 | Very high | 92.9 | Very high | 217 Ų | 217 | 71.9 Ų | 71.9 | 82% | 0.819 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -28.8 | 172 | -67.4 | 175.6 | -176.1 | -166.4 | 0.8 | 112.5 | N106 R107 W108 | N106-R110 WeakPolarHBondContact O-CG 3.37Å; R107-R110 WeakPolarHBondContact O-CB 3.33Å; R107-R110 PolarHBondContact O-N 3.1Å; W108-R110 PolarHBondContact O-N 3.26Å |
| 111 | T | 93.6 | Very high | 92.8 | Very high | 104 Ų | 104 | 77.3 Ų | 77.3 | 64% | 0.638 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -41.1 | 179.4 | 56 | 0 | 0 | 0 | 0 | 112 | W108 L109 | W108-T111 PolarHBondContact O-N 2.9Å; W108-T111 PolarHBondContact O-OG1 3.16Å; L109-T111 VanDerWaalsContact C-N 3.35Å |
| 112 | Q | 92.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 78.1 Ų | 78.1 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | trans | -137.7 | 123.6 | -174.3 | -66.2 | -60.5 | -28.9 | 0 | 0 | 110.1 | W108 L109 V114 | W108-Q112 HydrophobicContact CZ2-CB 4.44Å; W108-Q112 PolarHBondContact O-N 3.02Å; L109-Q112 WeakPolarHBondContact CA-O 3.18Å; Q112-V114 HydrophobicContact CB-CG2 4.14Å; Q112-V114 PolarHBondContact O-N 2.86Å; Q112-V114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | R | 92.3 | Very high | 92.9 | Very high | 160 Ų | 160 | 83 Ų | 83 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -82.7 | 20.7 | -179 | -65 | -67.7 | -172.1 | 176.4 | 0.4 | 113.2 | L109 Q121 W122 | L109-R113 WeakPolarHBondContact O-CD 2.88Å; L109-R113 PolarHBondContact O-NE 3.25Å; R113-Q121 VanDerWaalsContact O-CD 3.27Å; R113-Q121 PolarHBondContact O-NE2 3.09Å; R113-Q121 PolarHBondContact O-OE1 3.29Å; R113-W122 PolarHBondContact O-N 2.84Å |
| 114 | V | 94.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 81.5 Ų | 81.5 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -115.6 | 151.7 | -177.5 | -61.6 | 0 | 0 | 0 | 0 | 111 | W108 Q112 N119 Q120 | W108-V114 PolarHBondContact NE1-O 3.46Å; Q112-V114 HydrophobicContact CB-CG2 4.14Å; Q112-V114 PolarHBondContact O-N 2.86Å; Q112-V114 VanDerWaalsContact O-N 3.14Å; V114-N119 WeakPolarHBondContact CG2-OD1 3.46Å; V114-Q120 CarbonylContact C-O 3.46Å; V114-Q120 WeakPolarHBondContact CA-O 3.5Å; V114-Q120 WeakPolarHBondContact CB-O 2.99Å |
| 115 | C | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | trans | -66.7 | 133.8 | 171.1 | 174.6 | 0 | 0 | 0 | 0 | 110 | H98 L117 D118 N119 Q120 W122 | H98-C115 PolarHBondContact ND1-SG 3.24Å; H98-C115 VanDerWaalsContact ND1-SG 3.41Å; C115-L117 PolarHBondContact O-N 2.88Å; C115-L117 VanDerWaalsContact O-N 3.17Å; C115-D118 WeakPolarHBondContact CB-OD1 3.37Å; C115-N119 WeakPolarHBondContact O-CA 3.41Å; C115-N119 PolarHBondContact O-N 2.99Å; C115-Q120 PolarHBondContact N-O 3.25Å; C115-W122 HydrophobicContact CB-CE3 3.99Å | ||
| 116 | P | 92.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 92.6 Ų | 92.6 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.3 | 179.1 | -21.7 | 28.7 | 0 | 0 | 0 | 115.4 | I64 F100 W108 | I64-P116 HydrophobicContact CD1-CG 4.15Å; I64-P116 HydrophobicContact CG1-CG 4.14Å; F100-P116 HydrophobicContact CE1-CG 4.34Å; F100-P116 HydrophobicContact CZ-CG 4.11Å; W108-P116 HydrophobicContact CD2-CG 3.95Å; W108-P116 HydrophobicContact CG-CG 4.16Å; W108-P116 HydrophobicContact CZ2-CB 4.16Å; W108-P116 HydrophobicContact CZ2-CG 4.13Å |
| 117 | L | 91.6 | Very high | 89.9 | Confident | 75 Ų | 75 | 92.7 Ų | 92.7 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -40.7 | -171.6 | -69.8 | 173.4 | 0 | 0 | 0 | 113.7 | A63 H98 F100 C115 | A63-L117 HydrophobicContact CB-CD2 4.14Å; A63-L117 HydrophobicContact CB-CG 4.46Å; H98-L117 HydrophobicContact CB-CD1 4.01Å; H98-L117 WeakPolarHBondContact CD2-CD1 3.38Å; F100-L117 HydrophobicContact CE1-CD1 4.14Å; F100-L117 HydrophobicContact CE1-CG 4.43Å; F100-L117 HydrophobicContact CZ-CD1 3.86Å; F100-L117 HydrophobicContact CZ-CG 4.08Å; C115-L117 PolarHBondContact O-N 2.88Å; C115-L117 VanDerWaalsContact O-N 3.17Å |
| 118 | D | 92.3 | Very high | 88.4 | Confident | 52 Ų | 52 | 87.6 Ų | 87.6 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -3.3 | -177 | 63.9 | 14 | 0 | 0 | 0 | 114.4 | C96 H98 C115 Q120 | C96-D118 WeakPolarHBondContact CB-OD2 3.12Å; H98-D118 IonicContact CE1-OD2 3.74Å; H98-D118 IonicContact ND1-OD2 3.63Å; C115-D118 WeakPolarHBondContact CB-OD1 3.37Å; D118-Q120 HydrophobicContact CB-CG 4.22Å; D118-Q120 PolarHBondContact O-N 3.34Å; D118-Q120 VanDerWaalsContact O-N 3.13Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; D118-Q120 PolarHBondContact OD1-N 2.95Å |
| 119 | N | 92.7 | Very high | 86.6 | Confident | 123 Ų | 123 | 87 Ų | 87 | 66% | 0.658 | 43% | 0.429 | S | S | * | . | trans | 57.8 | 19.5 | -176.8 | -162.4 | 38.7 | 0 | 0 | 0 | 114.4 | V114 C115 | V114-N119 WeakPolarHBondContact CG2-OD1 3.46Å; C115-N119 WeakPolarHBondContact O-CA 3.41Å; C115-N119 PolarHBondContact O-N 2.99Å | ||
| 120 | Q | 91.7 | Very high | 84.7 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 154.8 | 173.5 | -64.2 | -63.2 | -33.4 | 0 | 0 | 110.7 | V114 C115 D118 W122 | V114-Q120 CarbonylContact C-O 3.46Å; V114-Q120 WeakPolarHBondContact CA-O 3.5Å; V114-Q120 WeakPolarHBondContact CB-O 2.99Å; C115-Q120 PolarHBondContact N-O 3.25Å; D118-Q120 HydrophobicContact CB-CG 4.22Å; D118-Q120 PolarHBondContact O-N 3.34Å; D118-Q120 VanDerWaalsContact O-N 3.13Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; D118-Q120 PolarHBondContact OD1-N 2.95Å; Q120-W122 PolarHBondContact O-N 3.33Å; Q120-W122 VanDerWaalsContact O-N 3.14Å |
| 121 | Q | 92.6 | Very high | 82.4 | Confident | 114 Ų | 114 | 92.6 Ų | 92.6 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -55.5 | 120.2 | 174.4 | 176.7 | 58.5 | 52.1 | 0 | 0 | 110 | R113 R123 | R113-Q121 VanDerWaalsContact O-CD 3.27Å; R113-Q121 PolarHBondContact O-NE2 3.09Å; R113-Q121 PolarHBondContact O-OE1 3.29Å; Q121-R123 PolarHBondContact O-N 3.3Å |
| 122 | W | 92.6 | Very high | 81.8 | Confident | 17 Ų | 17 | 92 Ų | 92 | 6% | 0.064 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 131.1 | -179.1 | 177.8 | -91.5 | 0 | 0 | 0 | 110.6 | T92 G94 F100 I105 L109 R113 C115 Q120 S124 | T92-W122 HydrophobicContact CG2-CZ2 4.04Å; G94-W122 VanDerWaalsContact CA-CH2 3.43Å; G94-W122 VanDerWaalsContact N-CH2 3.28Å; F100-W122 AromaticContact CD2-CH2 3.6Å; F100-W122 HydrophobicContact CD2-CH2 3.6Å; F100-W122 AromaticContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CE2-CE3 4.32Å; F100-W122 HydrophobicContact CE2-CH2 4.02Å; F100-W122 AromaticContact CE2-CZ3 3.5Å; F100-W122 HydrophobicContact CE2-CZ3 3.5Å; F100-W122 VanDerWaalsContact CE2-CZ3 3.5Å; I105-W122 HydrophobicContact CB-CZ2 4.46Å; I105-W122 HydrophobicContact CD1-CD2 3.94Å; I105-W122 HydrophobicContact CD1-CE3 3.95Å; I105-W122 HydrophobicContact CD1-CH2 4.38Å; I105-W122 HydrophobicContact CD1-CZ2 4.38Å; I105-W122 HydrophobicContact CD1-CZ3 4.2Å; I105-W122 HydrophobicContact CG1-CD2 3.83Å; I105-W122 HydrophobicContact CG1-CE3 4.19Å; I105-W122 HydrophobicContact CG1-CG 4.46Å; I105-W122 HydrophobicContact CG1-CH2 3.98Å; I105-W122 HydrophobicContact CG1-CZ2 3.6Å; I105-W122 HydrophobicContact CG1-CZ3 4.28Å; I105-W122 HydrophobicContact CG2-CZ2 4.29Å; L109-W122 HydrophobicContact CD1-CG 4.07Å; L109-W122 HydrophobicContact CD2-CB 3.47Å; L109-W122 VanDerWaalsContact CD2-CB 3.47Å; L109-W122 HydrophobicContact CD2-CG 3.61Å; L109-W122 HydrophobicContact CG-CG 4.37Å; R113-W122 PolarHBondContact O-N 2.84Å; C115-W122 HydrophobicContact CB-CE3 3.99Å; Q120-W122 PolarHBondContact O-N 3.33Å; Q120-W122 VanDerWaalsContact O-N 3.14Å; W122-S124 PolarHBondContact NE1-OG 3.11Å; W122-S124 VanDerWaalsContact NE1-OG 3.17Å |
| 123 | R | 91.8 | Very high | 81.2 | Confident | 145 Ų | 145 | 91.3 Ų | 91.3 | 55% | 0.547 | 47% | 0.465 | S | S | . | . | trans | -138.3 | 132 | 168 | -65.8 | -175.2 | -173.1 | 176.4 | 1.5 | 107.6 | G94 V95 Q121 E128 | G94-R123 CarbonylContact C-O 3.52Å; G94-R123 WeakPolarHBondContact CA-O 3.38Å; V95-R123 HydrophobicContact CB-CB 4.43Å; V95-R123 HydrophobicContact CG2-CB 3.63Å; V95-R123 WeakPolarHBondContact CG2-O 3.26Å; V95-R123 PolarHBondContact N-O 3.08Å; Q121-R123 PolarHBondContact O-N 3.3Å; R123-E128 VanDerWaalsContact CD-OE1 3.22Å; R123-E128 WeakPolarHBondContact CD-OE1 3.43Å; R123-E128 IonicContact NH1-OE1 3.34Å; R123-E128 PolarHBondContact NH1-OE1 3.43Å | ||
| 124 | S | 87.2 | Confident | 80.6 | Confident | 32 Ų | 32 | 87.4 Ų | 87.4 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 135.9 | 177.2 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | W122 H126 S127 | W122-S124 PolarHBondContact NE1-OG 3.11Å; W122-S124 VanDerWaalsContact NE1-OG 3.17Å; S124-H126 PolarHBondContact O-N 3.06Å; S124-S127 PolarHBondContact O-N 2.95Å; S124-S127 PolarHBondContact O-OG 3.32Å |
| 125 | Q | 85.1 | Confident | 79.8 | Confident | 110 Ų | 110 | 90.8 Ų | 90.8 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -57.9 | -35.9 | -177.6 | -173.5 | 174.7 | 13.2 | 0 | 0 | 112.4 | V93 S127 E128 | V93-Q125 WeakPolarHBondContact O-CB 3.31Å; V93-Q125 PolarHBondContact O-N 3.07Å; Q125-S127 PolarHBondContact O-N 2.86Å; Q125-E128 PolarHBondContact O-N 3.14Å |
| 126 | H | 72.6 | Confident | 78.9 | Confident | 134 Ų | 134 | 96.4 Ų | 96.4 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -62 | -27.6 | 176.3 | -68.2 | -70.3 | 0 | 0 | 0 | 113.7 | S124 E128 | S124-H126 PolarHBondContact O-N 3.06Å; H126-E128 VanDerWaalsContact C-N 3.29Å; H126-E128 PolarHBondContact O-N 3.11Å |
| 127 | S | 64.7 | Low | 78.1 | Confident | 66 Ų | 66 | 99.8 Ų | 99.8 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -77.2 | -14 | 178.9 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | S124 Q125 | S124-S127 PolarHBondContact O-N 2.95Å; S124-S127 PolarHBondContact O-OG 3.32Å; Q125-S127 PolarHBondContact O-N 2.86Å |
| 128 | E | 59.3 | Low | 77.1 | Confident | 78 Ų | 78 | 101.6 Ų | 101.6 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -13.5 | 177.9 | -65.9 | -170.4 | 165.7 | 0 | 0 | 112.9 | V95 R123 Q125 H126 D130 | V95-E128 WeakPolarHBondContact CG1-OE2 3.39Å; V95-E128 HydrophobicContact CG2-CG 4.08Å; V95-E128 WeakPolarHBondContact CG2-OE2 3.25Å; R123-E128 VanDerWaalsContact CD-OE1 3.22Å; R123-E128 WeakPolarHBondContact CD-OE1 3.43Å; R123-E128 IonicContact NH1-OE1 3.34Å; R123-E128 PolarHBondContact NH1-OE1 3.43Å; Q125-E128 PolarHBondContact O-N 3.14Å; H126-E128 VanDerWaalsContact C-N 3.29Å; H126-E128 PolarHBondContact O-N 3.11Å; E128-D130 VanDerWaalsContact C-N 3.33Å |
| 129 | A | 58.3 | Low | 75.9 | Confident | 77 Ų | 77 | 105.4 Ų | 105.4 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -17.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 130 | D | 52.6 | Low | 74.5 | Confident | 145 Ų | 145 | 103.9 Ų | 103.9 | 78% | 0.775 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 11.3 | -176.9 | -65.6 | -24.5 | 0 | 0 | 0 | 113.8 | E128 | E128-D130 VanDerWaalsContact C-N 3.33Š|
| 131 | N | 46 | Very low | 73 | Confident | 204 Ų | 204 | 102 Ų | 102 | 100% | 1.091 | 53% | 0.53 | S | S | * | . | trans | -117.6 | 0 | 172 | -85 | -35.6 | 0 | 0 | 0 | 111.2 |
Retrieved 131 of 131 residues in 80.7 ms
(Link to these results)