| 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 | 37.8 | Very low | 36 | Very low | 234 Ų | 234 | 151.2 Ų | 151.2 | 100% | 1.153 | 83% | 0.829 | S | S | * | * | 0 | 119.7 | 0 | -66.1 | -162.3 | 169.5 | 0 | 0 | 108.4 | |||||
| 2 | P | 39.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -96.9 | 118.3 | 170.8 | 29.8 | -17.8 | 0 | 0 | 0 | 109.8 | T4 | P2-T4 PolarHBondContact O-N 3.32Š| ||
| 3 | T | 38.3 | Very low | 35.4 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | trans | -76 | 103.8 | 167.4 | -60.3 | 0 | 0 | 0 | 0 | 108 | T5 | T3-T5 PolarHBondContact O-N 3.06Š| ||
| 4 | T | 34.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -86.1 | 100.5 | 170.8 | -64.2 | 0 | 0 | 0 | 0 | 108.9 | P2 A6 | P2-T4 PolarHBondContact O-N 3.32Å; T4-A6 PolarHBondContact O-N 2.9Å | ||
| 5 | T | 36.8 | Very low | 34.9 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | -66.1 | 113.9 | 169.6 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | T3 | T3-T5 PolarHBondContact O-N 3.06Š| ||
| 6 | A | 32.4 | Very low | 34.5 | Very low | 88 Ų | 88 | 151.9 Ų | 151.9 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -66.1 | 134 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T4 R8 | T4-A6 PolarHBondContact O-N 2.9Å; A6-R8 PolarHBondContact O-N 3.08Å | ||
| 7 | L | 36.9 | Very low | 34.6 | Very low | 163 Ų | 163 | 156.9 Ų | 156.9 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -65 | 120.1 | -179.8 | -140.4 | 88.9 | 0 | 0 | 0 | 110.2 | W9 | L7-W9 PolarHBondContact O-N 3.2Š| ||
| 8 | R | 31.7 | Very low | 34.4 | Very low | 212 Ų | 212 | 158.7 Ų | 158.7 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | -72 | 112.7 | -179 | -155.9 | -179.6 | 173.3 | -169.8 | -1.1 | 109 | A6 T10 | A6-R8 PolarHBondContact O-N 3.08Å; R8-T10 HydrophobicContact CG-CG2 4.19Å; R8-T10 PolarHBondContact O-N 3.09Å | ||
| 9 | W | 34.3 | Very low | 34.1 | Very low | 256 Ų | 256 | 154.1 Ų | 154.1 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | trans | -68.6 | 96.9 | 169.5 | -69.8 | 77.9 | 0 | 0 | 0 | 108.3 | L7 | L7-W9 PolarHBondContact O-N 3.2Š| ||
| 10 | T | 38.5 | Very low | 34.2 | Very low | 111 Ų | 111 | 159.5 Ų | 159.5 | 68% | 0.681 | 83% | 0.829 | S | S | * | * | trans | -116.1 | 92.1 | 169.3 | 42.8 | 0 | 0 | 0 | 0 | 108.5 | R8 | R8-T10 HydrophobicContact CG-CG2 4.19Å; R8-T10 PolarHBondContact O-N 3.09Å | ||
| 11 | A | 34.7 | Very low | 34.1 | Very low | 100 Ų | 100 | 155.6 Ų | 155.6 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -132 | 84.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | A13 | A11-A13 PolarHBondContact O-N 2.95Š| ||
| 12 | A | 31.4 | Very low | 33.5 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -66.5 | 111.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | R14 | A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.25Å | ||
| 13 | A | 33.6 | Very low | 33 | Very low | 94 Ų | 94 | 154.9 Ų | 154.9 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -64.1 | 97.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A11 V15 | A11-A13 PolarHBondContact O-N 2.95Å; A13-V15 PolarHBondContact O-N 3.35Å; A13-V15 VanDerWaalsContact O-N 3.08Å | ||
| 14 | R | 30.6 | Very low | 32.5 | Very low | 234 Ų | 234 | 155.1 Ų | 155.1 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -66.2 | 107.1 | 171.6 | -73.7 | -175.6 | -175.9 | -173.4 | 1.6 | 108.2 | A12 R16 | A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.25Å; R14-R16 PolarHBondContact O-N 3.39Å | ||
| 15 | V | 32.4 | Very low | 32.4 | Very low | 132 Ų | 132 | 156.8 Ų | 156.8 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -71.3 | 97.7 | 165.6 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | A13 | A13-V15 PolarHBondContact O-N 3.35Å; A13-V15 VanDerWaalsContact O-N 3.08Å | ||
| 16 | R | 28 | Very low | 32 | Very low | 215 Ų | 215 | 155.6 Ų | 155.6 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -88.6 | 107.1 | 169.2 | -168.8 | 174.4 | 171.7 | -173.2 | -1.5 | 108 | R14 K18 | R14-R16 PolarHBondContact O-N 3.39Å; R16-K18 PolarHBondContact O-N 3.29Å | ||
| 17 | R | 37.3 | Very low | 31.8 | Very low | 238 Ų | 238 | 155.5 Ų | 155.5 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | -66.2 | 119.6 | 167.8 | -66.6 | -173.8 | -141.2 | 163.7 | 5.7 | 108.9 | ||||
| 18 | K | 30 | Very low | 31.7 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 82% | 0.817 | 83% | 0.826 | S | S | * | * | trans | -136.5 | 133.5 | 155.6 | -142.3 | -179.3 | -177.4 | -172.2 | 0 | 107.5 | R16 | R16-K18 PolarHBondContact O-N 3.29Š| ||
| 19 | G | 29.1 | Very low | 31.4 | Very low | 72 Ų | 72 | 156.5 Ų | 156.5 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | -72.4 | 168.5 | -158 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 20 | R | 36.9 | Very low | 31.3 | Very low | 261 Ų | 261 | 150 Ų | 150 | 99% | 0.985 | 82% | 0.823 | S | S | * | * | trans | 54.5 | 107.2 | 163.6 | -65.1 | -176.6 | -171 | -116 | 0.8 | 116.1 | ||||
| 21 | G | 30.3 | Very low | 31 | Very low | 79 Ų | 79 | 151 Ų | 151 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | 137.1 | 109.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 22 | G | 25.7 | Very low | 30.9 | Very low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | 65.9 | 115.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | V24 | G22-V24 PolarHBondContact O-N 3.19Å; G22-V24 VanDerWaalsContact O-N 3.09Å | ||
| 23 | W | 30.1 | Very low | 31.4 | Very low | 271 Ų | 271 | 155.1 Ų | 155.1 | 100% | 1.027 | 83% | 0.826 | S | S | * | * | trans | -67.5 | 103.3 | 159 | -60.5 | 92.9 | 0 | 0 | 0 | 108.4 | ||||
| 24 | V | 27.7 | Very low | 31.2 | Very low | 134 Ų | 134 | 157.7 Ų | 157.7 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -92.2 | 115.2 | 169 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | G22 A26 | G22-V24 PolarHBondContact O-N 3.19Å; G22-V24 VanDerWaalsContact O-N 3.09Å; V24-A26 PolarHBondContact O-N 3.27Å | ||
| 25 | L | 32.6 | Very low | 31.5 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -56.4 | 114.6 | 170 | -159.2 | 77.7 | 0 | 0 | 0 | 108.2 | A27 | L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3Å | ||
| 26 | A | 28.6 | Very low | 31.6 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | -68.9 | 99.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | V24 L28 | V24-A26 PolarHBondContact O-N 3.27Å; A26-L28 PolarHBondContact O-N 2.87Å | ||
| 27 | A | 27.5 | Very low | 32.1 | Very low | 87 Ų | 87 | 146.2 Ų | 146.2 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | trans | -52.7 | 112.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L25 R29 | L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3Å; A27-R29 PolarHBondContact O-N 3.33Å; A27-R29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | L | 34.3 | Very low | 32.1 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -59.6 | 113.7 | 165.7 | -145.8 | 89 | 0 | 0 | 0 | 106 | A26 S30 | A26-L28 PolarHBondContact O-N 2.87Å; L28-S30 PolarHBondContact O-N 3.38Å | ||
| 29 | R | 27 | Very low | 32.6 | Very low | 230 Ų | 230 | 134.7 Ų | 134.7 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -61.7 | 105.8 | 170 | -80.7 | -174 | 172 | -154.9 | -1.9 | 107.3 | A27 V31 | A27-R29 PolarHBondContact O-N 3.33Å; A27-R29 VanDerWaalsContact O-N 3.12Å; R29-V31 PolarHBondContact O-N 3.49Å | ||
| 30 | S | 31.7 | Very low | 32.9 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -59.9 | 104.1 | 164.7 | 30.9 | 0 | 0 | 0 | 0 | 108.1 | L28 | L28-S30 PolarHBondContact O-N 3.38Š| ||
| 31 | V | 31.8 | Very low | 33.3 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -83.6 | 123.8 | 166 | 177.5 | 0 | 0 | 0 | 0 | 107.1 | R29 | R29-V31 PolarHBondContact O-N 3.49Š| ||
| 32 | S | 32.1 | Very low | 33.5 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -44.7 | 137.3 | -177.4 | -168.6 | 0 | 0 | 0 | 0 | 113 | D34 | S32-D34 PolarHBondContact O-N 2.83Š| ||
| 33 | Q | 42.9 | Very low | 34 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -79.4 | 98.2 | 174.6 | -66.2 | 178.6 | -16 | 0 | 0 | 109.1 | ||||
| 34 | D | 29.9 | Very low | 34.5 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -95.5 | 114.8 | 155 | -72.2 | -37.8 | 0 | 0 | 0 | 108.1 | S32 | S32-D34 PolarHBondContact O-N 2.83Š| ||
| 35 | G | 36.2 | Very low | 35.4 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 131 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 36 | V | 34.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -109.5 | 116.6 | 158.1 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 37 | P | 38.4 | Very low | 37.5 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -74.3 | 132.3 | -179.5 | 26.7 | -25.9 | 0 | 0 | 0 | 109.5 | ||
| 38 | G | 36.8 | Very low | 38.9 | Very low | 71 Ų | 71 | 119.4 Ų | 119.4 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | 125 | 39.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 39 | C | 40.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -126.7 | 49 | 165.3 | -73.6 | 0 | 0 | 0 | 0 | 111.2 | V41 | C39-V41 VanDerWaalsContact C-N 3.29Å; C39-V41 PolarHBondContact O-N 2.97Å | ||
| 40 | T | 36.6 | Very low | 41.7 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | trans | -69.7 | 97.1 | 156.4 | -55.2 | 0 | 0 | 0 | 0 | 106.4 | M42 | T40-M42 PolarHBondContact O-N 3.13Å; T40-M42 VanDerWaalsContact O-N 3.16Å | ||
| 41 | V | 44.6 | Very low | 43.8 | Very low | 90 Ų | 90 | 112.6 Ų | 112.6 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | trans | -68.9 | 107.8 | 165.1 | 178.6 | 0 | 0 | 0 | 0 | 104.8 | C39 G43 | C39-V41 VanDerWaalsContact C-N 3.29Å; C39-V41 PolarHBondContact O-N 2.97Å; V41-G43 PolarHBondContact O-N 3.49Å | ||
| 42 | M | 33.5 | Very low | 46.6 | Very low | 177 Ų | 177 | 108.5 Ų | 108.5 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | trans | -63.4 | 91 | 160.1 | -70.8 | -62.4 | -139.3 | 0 | 0 | 105.6 | T40 G44 | T40-M42 PolarHBondContact O-N 3.13Å; T40-M42 VanDerWaalsContact O-N 3.16Å; M42-G44 VanDerWaalsContact C-N 3.29Å; M42-G44 PolarHBondContact O-N 2.89Å | ||
| 43 | G | 37.8 | Very low | 49.5 | Very low | 58 Ų | 58 | 104.5 Ų | 104.5 | 60% | 0.598 | 63% | 0.632 | S | S | * | * | trans | -69.5 | 91.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | V41 E45 | V41-G43 PolarHBondContact O-N 3.49Å; G43-E45 PolarHBondContact O-N 3.23Å | ||
| 44 | G | 40.3 | Very low | 51.9 | Low | 62 Ų | 62 | 100 Ų | 100 | 64% | 0.639 | 61% | 0.614 | S | S | * | * | trans | -54.9 | 122.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | M42 T46 | M42-G44 VanDerWaalsContact C-N 3.29Å; M42-G44 PolarHBondContact O-N 2.89Å; G44-T46 PolarHBondContact O-N 3.49Å | ||
| 45 | E | 46.6 | Very low | 54.9 | Low | 148 Ų | 148 | 96 Ų | 96 | 69% | 0.692 | 59% | 0.589 | S | S | * | * | trans | -65.8 | 74.9 | -176.7 | -74.2 | -176.4 | 117.5 | 0 | 0 | 110.3 | G43 R47 | G43-E45 PolarHBondContact O-N 3.23Å; E45-R47 HydrophobicContact CB-CG 4.25Å; E45-R47 PolarHBondContact O-N 3.29Å; E45-R47 IonicContact OE1-CZ 3.39Å; E45-R47 IonicContact OE1-NE 3.18Å; E45-R47 PolarHBondContact OE1-NE 2.95Å; E45-R47 IonicContact OE1-NH2 2.73Å; E45-R47 PolarHBondContact OE1-NH2 2.54Å | ||
| 46 | T | 50.6 | Low | 57.7 | Low | 75 Ų | 75 | 95.1 Ų | 95.1 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | trans | -75.1 | 71.4 | 159.6 | -37.2 | 0 | 0 | 0 | 0 | 106.2 | G44 S48 W102 | G44-T46 PolarHBondContact O-N 3.49Å; T46-S48 PolarHBondContact O-N 3.3Å; T46-W102 HydrophobicContact CG2-CZ2 4.29Å; T46-W102 WeakPolarHBondContact O-CZ2 3.39Å | ||
| 47 | R | 54.2 | Low | 60.5 | Low | 161 Ų | 161 | 91.5 Ų | 91.5 | 61% | 0.608 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 130.4 | 173.8 | -69.9 | -177.3 | -178.3 | -157.8 | 2.1 | 107.1 | E45 | E45-R47 HydrophobicContact CB-CG 4.25Å; E45-R47 PolarHBondContact O-N 3.29Å; E45-R47 IonicContact OE1-CZ 3.39Å; E45-R47 IonicContact OE1-NE 3.18Å; E45-R47 PolarHBondContact OE1-NE 2.95Å; E45-R47 IonicContact OE1-NH2 2.73Å; E45-R47 PolarHBondContact OE1-NH2 2.54Å |
| 48 | S | 56.6 | Low | 63.1 | Low | 11 Ų | 11 | 95.5 Ų | 95.5 | 8% | 0.077 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -51.6 | 141.3 | 167.9 | 170.6 | 0 | 0 | 0 | 0 | 108.4 | T46 E50 N51 V53 | T46-S48 PolarHBondContact O-N 3.3Å; S48-E50 PolarHBondContact O-N 3.34Å; S48-N51 PolarHBondContact O-N 3.12Å; S48-V53 WeakPolarHBondContact CB-O 3.49Å; S48-V53 WeakPolarHBondContact OG-CG2 3.49Å |
| 49 | P | 54.8 | Low | 65.9 | Low | 84 Ų | 84 | 94.1 Ų | 94.1 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -49.6 | 125.9 | 165.8 | 21 | -29.5 | 0 | 0 | 0 | 107.7 | N51 | P49-N51 PolarHBondContact O-N 2.93Š|
| 50 | E | 65.6 | Low | 68.6 | Low | 182 Ų | 182 | 92.8 Ų | 92.8 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | 73.8 | 9.2 | 170.6 | -46.4 | 175.1 | -155.1 | 0 | 0 | 118.2 | S48 A52 | S48-E50 PolarHBondContact O-N 3.34Å; E50-A52 PolarHBondContact O-N 3.04Å; E50-A52 VanDerWaalsContact O-N 3.14Å |
| 51 | N | 76.7 | Confident | 71.3 | Confident | 107 Ų | 107 | 93.2 Ų | 93.2 | 57% | 0.572 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | 52.2 | 32.7 | -176.4 | -57.9 | -44.4 | 0 | 0 | 0 | 113.2 | S48 P49 L75 | S48-N51 PolarHBondContact O-N 3.12Å; P49-N51 PolarHBondContact O-N 2.93Å; N51-L75 VanDerWaalsContact O-CD1 3.26Å; N51-L75 WeakPolarHBondContact O-CD1 3.34Å |
| 52 | A | 89 | Confident | 73.6 | Confident | 45 Ų | 45 | 90.5 Ų | 90.5 | 37% | 0.372 | 49% | 0.49 | S | S | . | . | trans | -88.5 | -24.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E50 L75 | E50-A52 PolarHBondContact O-N 3.04Å; E50-A52 VanDerWaalsContact O-N 3.14Å; A52-L75 PolarHBondContact O-N 3.14Å | ||
| 53 | V | 92.8 | Very high | 76.4 | Confident | 15 Ų | 15 | 92 Ų | 92 | 9% | 0.091 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.1 | -179.7 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | S48 I72 A73 V81 W102 F104 | S48-V53 WeakPolarHBondContact CB-O 3.49Å; S48-V53 WeakPolarHBondContact OG-CG2 3.49Å; V53-I72 HydrophobicContact CG2-CD1 4.31Å; V53-A73 WeakPolarHBondContact CA-O 3.21Å; V53-A73 WeakPolarHBondContact CB-O 3.32Å; V53-V81 HydrophobicContact CB-CG2 4.5Å; V53-V81 HydrophobicContact CG1-CG2 3.66Å; V53-W102 HydrophobicContact CG2-CE3 4.33Å; V53-W102 HydrophobicContact CG2-CZ3 3.81Å; V53-F104 HydrophobicContact CG1-CE1 4.3Å; V53-F104 HydrophobicContact CG2-CE1 4.48Å |
| 54 | D | 93.6 | Very high | 78.8 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 163.7 | 173.7 | -163.5 | 3.1 | 0 | 0 | 0 | 110.5 | I72 A73 L75 | D54-I72 CarbonylContact O-C 3.47Å; D54-I72 VanDerWaalsContact O-CA 3.31Å; D54-I72 WeakPolarHBondContact O-CA 3.41Å; D54-A73 PolarHBondContact N-O 3.03Å; D54-A73 PolarHBondContact O-N 3.43Å; D54-L75 HydrophobicContact CB-CD1 4.22Å; D54-L75 HydrophobicContact CB-CD2 3.77Å; D54-L75 HydrophobicContact CB-CG 4.11Å |
| 55 | F | 94.4 | Very high | 81.1 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 28% | 0.276 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.1 | 176.8 | -62.7 | -67.9 | 0 | 0 | 0 | 111.9 | K70 D71 I72 H84 I86 W102 | F55-K70 HydrophobicContact CB-CD 3.83Å; F55-K70 HydrophobicContact CB-CG 4.4Å; F55-K70 HydrophobicContact CD1-CB 4.18Å; F55-K70 HydrophobicContact CD1-CD 3.71Å; F55-K70 HydrophobicContact CD1-CG 4.04Å; F55-K70 HydrophobicContact CG-CD 3.9Å; F55-D71 WeakPolarHBondContact CA-O 3.31Å; F55-I72 HydrophobicContact CD1-CG2 3.93Å; F55-I72 HydrophobicContact CE1-CG2 4.24Å; F55-H84 HydrophobicContact CD1-CB 4.4Å; F55-H84 HydrophobicContact CE1-CB 3.57Å; F55-H84 AromaticContact CE1-CG 3.8Å; F55-H84 AromaticContact CE1-ND1 3.94Å; F55-H84 HydrophobicContact CZ-CB 4.44Å; F55-I86 HydrophobicContact CE1-CD1 4.25Å; F55-W102 HydrophobicContact CE1-CH2 4.16Å; F55-W102 HydrophobicContact CE1-CZ2 4.38Å; F55-W102 HydrophobicContact CE2-CH2 4.42Å; F55-W102 AromaticContact CZ-CH2 3.95Å; F55-W102 HydrophobicContact CZ-CH2 3.95Å; F55-W102 AromaticContact CZ-CZ2 3.93Å; F55-W102 HydrophobicContact CZ-CZ2 3.93Å |
| 56 | T | 94.6 | Very high | 83.2 | Confident | 57 Ų | 57 | 97 Ų | 97 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.2 | 173.5 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | D71 A73 I80 | T56-D71 HydrophobicContact CG2-CB 3.78Å; T56-D71 PolarHBondContact N-O 2.97Å; T56-A73 HydrophobicContact CG2-CB 3.78Å; T56-I80 HydrophobicContact CG2-CG1 4.18Å |
| 57 | G | 93.3 | Very high | 85.2 | Confident | 59 Ų | 59 | 93.8 Ų | 93.8 | 61% | 0.608 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 64.8 | -160.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | K70 | G57-K70 WeakPolarHBondContact O-CE 3.34Å |
| 58 | R | 93.6 | Very high | 87.1 | Confident | 214 Ų | 214 | 89 Ų | 89 | 81% | 0.808 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.2 | -178.9 | -63.6 | -175.8 | -175.3 | -172.3 | 1.4 | 110.4 | ||
| 59 | C | 95.5 | Very high | 88.9 | Confident | 41 Ų | 41 | 89 Ų | 89 | 28% | 0.277 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 146.8 | 169.7 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | K68 L69 | C59-K68 HydrophobicContact CB-CD 4.35Å; C59-K68 VanDerWaalsContact CB-CE 3.43Å; C59-K68 HydrophobicContact CB-CG 4.06Å; C59-L69 CarbonylContact C-O 3.53Å; C59-L69 WeakPolarHBondContact CA-O 3.43Å; C59-L69 WeakPolarHBondContact CB-O 3.21Å |
| 60 | Y | 95.6 | Very high | 90.9 | Very high | 86 Ų | 86 | 86.9 Ų | 86.9 | 34% | 0.337 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 164.8 | 176.7 | 59.3 | -90.3 | 0 | 0 | 0 | 110.8 | K68 L69 D71 | Y60-K68 CarbonylContact O-C 3.53Å; Y60-K68 WeakPolarHBondContact O-CA 3.22Å; Y60-L69 HydrophobicContact CD2-CB 4.35Å; Y60-L69 HydrophobicContact CE1-CB 4.39Å; Y60-L69 HydrophobicContact CE2-CB 3.87Å; Y60-L69 HydrophobicContact CE2-CD1 3.97Å; Y60-L69 HydrophobicContact CE2-CG 4.34Å; Y60-L69 PolarHBondContact N-O 3.22Å; Y60-L69 PolarHBondContact O-N 2.82Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.45Å; Y60-D71 VanDerWaalsContact CZ-OD1 3.31Å; Y60-D71 PolarHBondContact OH-OD1 3.22Å |
| 61 | F | 94.3 | Very high | 92.4 | Very high | 136 Ų | 136 | 79.9 Ų | 79.9 | 60% | 0.596 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.7 | 179.2 | -67.9 | -86.4 | 0 | 0 | 0 | 111.1 | K66 C67 K68 | F61-K66 WeakPolarHBondContact CD1-O 3.43Å; F61-C67 CarbonylContact C-O 3.53Å; F61-C67 VanDerWaalsContact CA-O 3.28Å; F61-C67 WeakPolarHBondContact CA-O 3.3Å; F61-K68 HydrophobicContact CD1-CB 3.96Å; F61-K68 HydrophobicContact CD1-CG 4.42Å; F61-K68 HydrophobicContact CE1-CB 3.62Å; F61-K68 HydrophobicContact CE1-CD 4.29Å; F61-K68 HydrophobicContact CE1-CG 3.96Å; F61-K68 HydrophobicContact CZ-CB 4.21Å; F61-K68 HydrophobicContact CZ-CD 4.07Å; F61-K68 HydrophobicContact CZ-CG 4.05Å |
| 62 | T | 92.7 | Very high | 93.3 | Very high | 33 Ų | 33 | 74.8 Ų | 74.8 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | trans | -69.8 | 141.4 | 171.8 | 68.3 | 0 | 0 | 0 | 0 | 110.3 | I64 C65 K66 C67 L69 | T62-I64 VanDerWaalsContact C-N 3.28Å; T62-I64 PolarHBondContact O-N 3.45Å; T62-C65 PolarHBondContact OG1-N 3.36Å; T62-C65 PolarHBondContact OG1-SG 2.96Å; T62-K66 VanDerWaalsContact O-CA 3.26Å; T62-K66 WeakPolarHBondContact O-CA 3.29Å; T62-K66 PolarHBondContact O-N 2.84Å; T62-K66 VanDerWaalsContact O-N 3.09Å; T62-K66 PolarHBondContact OG1-N 3.16Å; T62-C67 HydrophobicContact CG2-CB 4.27Å; T62-C67 PolarHBondContact N-O 2.96Å; T62-C67 PolarHBondContact OG1-N 3Å; T62-C67 VanDerWaalsContact OG1-N 3.16Å; T62-L69 HydrophobicContact CG2-CD1 3.34Å; T62-L69 HydrophobicContact CG2-CD2 4.42Å; T62-L69 HydrophobicContact CG2-CG 3.75Å | ||
| 63 | K | 91.3 | Very high | 93.6 | Very high | 210 Ų | 210 | 73.3 Ų | 73.3 | 91% | 0.913 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.2 | 177.7 | -64.3 | -177.4 | -179.4 | 179 | 0 | 113 | ||
| 64 | I | 89 | Confident | 93.6 | Very high | 170 Ų | 170 | 73.8 Ų | 73.8 | 87% | 0.872 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -52.1 | -171.6 | -58.2 | 170.5 | 0 | 0 | 0 | 110.9 | T62 | T62-I64 VanDerWaalsContact C-N 3.28Å; T62-I64 PolarHBondContact O-N 3.45Å |
| 65 | C | 88.4 | Confident | 93.6 | Very high | 36 Ų | 36 | 74.8 Ų | 74.8 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 1.5 | -174 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | T62 C67 C89 | T62-C65 PolarHBondContact OG1-N 3.36Å; T62-C65 PolarHBondContact OG1-SG 2.96Å; C65-C67 PolarHBondContact O-N 3.26Å; C65-C67 VanDerWaalsContact O-N 3.13Å; C65-C67 PolarHBondContact SG-SG 3.18Å; C65-C89 WeakPolarHBondContact O-CB 3.39Å; C65-C89 PolarHBondContact O-SG 3.04Å |
| 66 | K | 91.3 | Very high | 93.5 | Very high | 167 Ų | 167 | 81.3 Ų | 81.3 | 73% | 0.726 | 40% | 0.398 | S | S | * | . | trans | 57 | 22.7 | -179 | -53.3 | 178.3 | -179.7 | 176.1 | 0 | 114.1 | F61 T62 | F61-K66 WeakPolarHBondContact CD1-O 3.43Å; T62-K66 VanDerWaalsContact O-CA 3.26Å; T62-K66 WeakPolarHBondContact O-CA 3.29Å; T62-K66 PolarHBondContact O-N 2.84Å; T62-K66 VanDerWaalsContact O-N 3.09Å; T62-K66 PolarHBondContact OG1-N 3.16Å | ||
| 67 | C | 91.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 82.2 Ų | 82.2 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | trans | -66.1 | 140.6 | 170.1 | -68 | 0 | 0 | 0 | 0 | 109.6 | F61 T62 C65 L69 V87 C89 | F61-C67 CarbonylContact C-O 3.53Å; F61-C67 VanDerWaalsContact CA-O 3.28Å; F61-C67 WeakPolarHBondContact CA-O 3.3Å; T62-C67 HydrophobicContact CG2-CB 4.27Å; T62-C67 PolarHBondContact N-O 2.96Å; T62-C67 PolarHBondContact OG1-N 3Å; T62-C67 VanDerWaalsContact OG1-N 3.16Å; C65-C67 PolarHBondContact O-N 3.26Å; C65-C67 VanDerWaalsContact O-N 3.13Å; C65-C67 PolarHBondContact SG-SG 3.18Å; C67-L69 HydrophobicContact CB-CD2 4.01Å; C67-V87 WeakPolarHBondContact CA-O 3.23Å; C67-C89 PolarHBondContact SG-N 2.93Å; C67-C89 VanDerWaalsContact SG-N 3.36Å; C67-C89 VanDerWaalsContact SG-SG 3.63Å | ||
| 68 | K | 94.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 82.1 Ų | 82.1 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 118.6 | 171.6 | -168.2 | 179.8 | -179.1 | -179.6 | 0 | 108.8 | C59 Y60 F61 I86 V87 | C59-K68 HydrophobicContact CB-CD 4.35Å; C59-K68 VanDerWaalsContact CB-CE 3.43Å; C59-K68 HydrophobicContact CB-CG 4.06Å; Y60-K68 CarbonylContact O-C 3.53Å; Y60-K68 WeakPolarHBondContact O-CA 3.22Å; F61-K68 HydrophobicContact CD1-CB 3.96Å; F61-K68 HydrophobicContact CD1-CG 4.42Å; F61-K68 HydrophobicContact CE1-CB 3.62Å; F61-K68 HydrophobicContact CE1-CD 4.29Å; F61-K68 HydrophobicContact CE1-CG 3.96Å; F61-K68 HydrophobicContact CZ-CB 4.21Å; F61-K68 HydrophobicContact CZ-CD 4.07Å; F61-K68 HydrophobicContact CZ-CG 4.05Å; K68-I86 HydrophobicContact CD-CB 4.49Å; K68-I86 HydrophobicContact CD-CG2 4.33Å; K68-I86 HydrophobicContact CG-CB 4.35Å; K68-I86 PolarHBondContact O-N 2.6Å; K68-V87 HydrophobicContact CB-CB 3.83Å; K68-V87 HydrophobicContact CB-CG2 4.18Å; K68-V87 HydrophobicContact CD-CG2 4.13Å; K68-V87 PolarHBondContact N-O 3.06Å; K68-V87 PolarHBondContact O-N 2.82Å; K68-V87 VanDerWaalsContact O-N 3.09Å |
| 69 | L | 95.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 77 Ų | 77 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 161.4 | -179.3 | -51.3 | -173.3 | 0 | 0 | 0 | 110.7 | C59 Y60 T62 C67 Y83 H84 V85 | C59-L69 CarbonylContact C-O 3.53Å; C59-L69 WeakPolarHBondContact CA-O 3.43Å; C59-L69 WeakPolarHBondContact CB-O 3.21Å; Y60-L69 HydrophobicContact CD2-CB 4.35Å; Y60-L69 HydrophobicContact CE1-CB 4.39Å; Y60-L69 HydrophobicContact CE2-CB 3.87Å; Y60-L69 HydrophobicContact CE2-CD1 3.97Å; Y60-L69 HydrophobicContact CE2-CG 4.34Å; Y60-L69 PolarHBondContact N-O 3.22Å; Y60-L69 PolarHBondContact O-N 2.82Å; T62-L69 HydrophobicContact CG2-CD1 3.34Å; T62-L69 HydrophobicContact CG2-CD2 4.42Å; T62-L69 HydrophobicContact CG2-CG 3.75Å; C67-L69 HydrophobicContact CB-CD2 4.01Å; L69-Y83 HydrophobicContact CD1-CD2 3.82Å; L69-Y83 HydrophobicContact CD1-CE2 4.07Å; L69-Y83 HydrophobicContact CD1-CG 4.18Å; L69-Y83 HydrophobicContact CD2-CD2 4.08Å; L69-Y83 HydrophobicContact CD2-CE2 4.35Å; L69-Y83 HydrophobicContact CG-CD2 4.39Å; L69-H84 CarbonylContact C-O 3.54Å; L69-H84 VanDerWaalsContact CA-O 3.27Å; L69-H84 WeakPolarHBondContact CA-O 3.08Å; L69-V85 HydrophobicContact CD2-CB 4.01Å; L69-V85 HydrophobicContact CD2-CG1 4.08Å; L69-V85 HydrophobicContact CD2-CG2 3.68Å |
| 70 | K | 96.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 79.1 Ų | 79.1 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 134.4 | 167.2 | -166.4 | 175.3 | -175 | -165.4 | 0 | 108.9 | F55 G57 Y83 H84 I86 | F55-K70 HydrophobicContact CB-CD 3.83Å; F55-K70 HydrophobicContact CB-CG 4.4Å; F55-K70 HydrophobicContact CD1-CB 4.18Å; F55-K70 HydrophobicContact CD1-CD 3.71Å; F55-K70 HydrophobicContact CD1-CG 4.04Å; F55-K70 HydrophobicContact CG-CD 3.9Å; G57-K70 WeakPolarHBondContact O-CE 3.34Å; K70-Y83 CarbonylContact O-C 3.57Å; K70-Y83 WeakPolarHBondContact O-CA 3.49Å; K70-H84 PolarHBondContact N-O 3.16Å; K70-H84 PolarHBondContact O-N 2.87Å; K70-I86 HydrophobicContact CB-CD1 3.95Å; K70-I86 HydrophobicContact CB-CG1 3.8Å; K70-I86 HydrophobicContact CD-CD1 4.49Å |
| 71 | D | 96.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 75.5 Ų | 75.5 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 151.3 | -179.9 | -66.9 | -28.2 | 0 | 0 | 0 | 111 | F55 T56 Y60 I80 | F55-D71 WeakPolarHBondContact CA-O 3.31Å; T56-D71 HydrophobicContact CG2-CB 3.78Å; T56-D71 PolarHBondContact N-O 2.97Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.45Å; Y60-D71 VanDerWaalsContact CZ-OD1 3.31Å; Y60-D71 PolarHBondContact OH-OD1 3.22Å; D71-I80 HydrophobicContact CB-CD1 4.41Å; D71-I80 HydrophobicContact CB-CG2 4.24Å |
| 72 | I | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137 | 174 | 59.7 | 171.1 | 0 | 0 | 0 | 109.5 | V53 D54 F55 I80 V81 G82 H84 W102 F104 | V53-I72 HydrophobicContact CG2-CD1 4.31Å; D54-I72 CarbonylContact O-C 3.47Å; D54-I72 VanDerWaalsContact O-CA 3.31Å; D54-I72 WeakPolarHBondContact O-CA 3.41Å; F55-I72 HydrophobicContact CD1-CG2 3.93Å; F55-I72 HydrophobicContact CE1-CG2 4.24Å; I72-I80 WeakPolarHBondContact O-CA 3.48Å; I72-V81 HydrophobicContact CD1-CG2 4.38Å; I72-V81 HydrophobicContact CG1-CG2 4.2Å; I72-V81 PolarHBondContact O-N 3.43Å; I72-G82 WeakPolarHBondContact CG1-O 3.41Å; I72-G82 PolarHBondContact N-O 3Å; I72-H84 HydrophobicContact CG2-CB 4.28Å; I72-W102 HydrophobicContact CB-CZ3 4.25Å; I72-W102 HydrophobicContact CD1-CE3 3.69Å; I72-W102 HydrophobicContact CD1-CZ3 4.01Å; I72-W102 HydrophobicContact CG2-CE3 4.07Å; I72-W102 HydrophobicContact CG2-CH2 4.24Å; I72-W102 HydrophobicContact CG2-CZ3 3.55Å; I72-F104 HydrophobicContact CD1-CD1 4.07Å; I72-F104 HydrophobicContact CD1-CE1 3.68Å; I72-F104 HydrophobicContact CD1-CZ 4.28Å |
| 73 | A | 95.7 | Very high | 93.7 | Very high | 13 Ų | 13 | 70.5 Ų | 70.5 | 11% | 0.107 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V53 D54 T56 L75 N79 | V53-A73 WeakPolarHBondContact CA-O 3.21Å; V53-A73 WeakPolarHBondContact CB-O 3.32Å; D54-A73 PolarHBondContact N-O 3.03Å; D54-A73 PolarHBondContact O-N 3.43Å; T56-A73 HydrophobicContact CG2-CB 3.78Å; A73-L75 PolarHBondContact O-N 3.44Å; A73-N79 CarbonylContact C-O 3.59Å; A73-N79 VanDerWaalsContact CA-O 3.23Å; A73-N79 WeakPolarHBondContact CA-O 3.26Å |
| 74 | C | 94.2 | Very high | 93.7 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127 | 172.3 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | K76 C77 G78 N79 V81 | C74-K76 PolarHBondContact O-N 2.81Å; C74-K76 PolarHBondContact SG-N 2.87Å; C74-K76 VanDerWaalsContact SG-N 3.45Å; C74-C77 VanDerWaalsContact CB-SG 3.57Å; C74-G78 VanDerWaalsContact O-CA 3.29Å; C74-G78 WeakPolarHBondContact O-CA 3.06Å; C74-G78 PolarHBondContact O-N 2.83Å; C74-N79 PolarHBondContact N-O 3.49Å; C74-V81 HydrophobicContact CB-CG1 3.95Å |
| 75 | L | 93.1 | Very high | 93.9 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 56% | 0.56 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -18.2 | -179.6 | -73.2 | 171.4 | 0 | 0 | 0 | 113.4 | N51 A52 D54 A73 | N51-L75 VanDerWaalsContact O-CD1 3.26Å; N51-L75 WeakPolarHBondContact O-CD1 3.34Å; A52-L75 PolarHBondContact O-N 3.14Å; D54-L75 HydrophobicContact CB-CD1 4.22Å; D54-L75 HydrophobicContact CB-CD2 3.77Å; D54-L75 HydrophobicContact CB-CG 4.11Å; A73-L75 PolarHBondContact O-N 3.44Å |
| 76 | K | 92.4 | Very high | 94 | Very high | 199 Ų | 199 | 55.4 Ų | 55.4 | 87% | 0.865 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -43.2 | 178.6 | -64 | -178.2 | -178.5 | 174.4 | 0 | 113.4 | C74 | C74-K76 PolarHBondContact O-N 2.81Å; C74-K76 PolarHBondContact SG-N 2.87Å; C74-K76 VanDerWaalsContact SG-N 3.45Å |
| 77 | C | 92.6 | Very high | 94 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 52% | 0.52 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -9.7 | -173.4 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | C74 N79 | C74-C77 VanDerWaalsContact CB-SG 3.57Å; C77-N79 PolarHBondContact O-N 2.71Å |
| 78 | G | 93.3 | Very high | 93.9 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | trans | 74.8 | -2.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | C74 | C74-G78 VanDerWaalsContact O-CA 3.29Å; C74-G78 WeakPolarHBondContact O-CA 3.06Å; C74-G78 PolarHBondContact O-N 2.83Å | ||
| 79 | N | 95.3 | Very high | 93.6 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 57% | 0.572 | 28% | 0.281 | S | S | * | . | trans | -72.4 | 145 | 178 | -67.5 | -34.1 | 0 | 0 | 0 | 111.3 | A73 C74 C77 V81 | A73-N79 CarbonylContact C-O 3.59Å; A73-N79 VanDerWaalsContact CA-O 3.23Å; A73-N79 WeakPolarHBondContact CA-O 3.26Å; C74-N79 PolarHBondContact N-O 3.49Å; C77-N79 PolarHBondContact O-N 2.71Å; N79-V81 PolarHBondContact O-N 3.3Å | ||
| 80 | I | 95.9 | Very high | 93.2 | Very high | 86 Ų | 86 | 55.2 Ų | 55.2 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123 | 168.9 | -62.4 | 173.3 | 0 | 0 | 0 | 108.1 | T56 D71 I72 | T56-I80 HydrophobicContact CG2-CG1 4.18Å; D71-I80 HydrophobicContact CB-CD1 4.41Å; D71-I80 HydrophobicContact CB-CG2 4.24Å; I72-I80 WeakPolarHBondContact O-CA 3.48Å |
| 81 | V | 95.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -9.4 | -177.8 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | V53 I72 C74 N79 F104 H105 A108 V109 | V53-V81 HydrophobicContact CB-CG2 4.5Å; V53-V81 HydrophobicContact CG1-CG2 3.66Å; I72-V81 HydrophobicContact CD1-CG2 4.38Å; I72-V81 HydrophobicContact CG1-CG2 4.2Å; I72-V81 PolarHBondContact O-N 3.43Å; C74-V81 HydrophobicContact CB-CG1 3.95Å; N79-V81 PolarHBondContact O-N 3.3Å; V81-F104 HydrophobicContact CB-CD1 4.34Å; V81-F104 HydrophobicContact CG2-CD1 4.08Å; V81-F104 HydrophobicContact CG2-CE1 4.07Å; V81-F104 WeakPolarHBondContact O-CA 3.41Å; V81-H105 PolarHBondContact O-N 3.07Å; V81-A108 HydrophobicContact CB-CB 4.43Å; V81-A108 HydrophobicContact CG1-CB 4.47Å; V81-V109 HydrophobicContact CB-CG1 3.94Å; V81-V109 HydrophobicContact CG1-CG1 4.29Å |
| 82 | G | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -159.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I72 M103 | I72-G82 WeakPolarHBondContact CG1-O 3.41Å; I72-G82 PolarHBondContact N-O 3Å; G82-M103 CarbonylContact C-O 3.56Å; G82-M103 WeakPolarHBondContact CA-O 3.28Å |
| 83 | Y | 94.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 25% | 0.247 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160.5 | 173.7 | 57.9 | -92.8 | 0 | 0 | 0 | 111.8 | L69 K70 V85 M103 H105 | L69-Y83 HydrophobicContact CD1-CD2 3.82Å; L69-Y83 HydrophobicContact CD1-CE2 4.07Å; L69-Y83 HydrophobicContact CD1-CG 4.18Å; L69-Y83 HydrophobicContact CD2-CD2 4.08Å; L69-Y83 HydrophobicContact CD2-CE2 4.35Å; L69-Y83 HydrophobicContact CG-CD2 4.39Å; K70-Y83 CarbonylContact O-C 3.57Å; K70-Y83 WeakPolarHBondContact O-CA 3.49Å; Y83-V85 HydrophobicContact CD2-CG2 4.44Å; Y83-V85 HydrophobicContact CE2-CG2 4.23Å; Y83-M103 HydrophobicContact CD1-CB 4.46Å; Y83-M103 HydrophobicContact CD2-CB 4.03Å; Y83-M103 HydrophobicContact CD2-CG 4.43Å; Y83-M103 HydrophobicContact CE1-CB 4.01Å; Y83-M103 HydrophobicContact CE2-CB 3.54Å; Y83-M103 HydrophobicContact CE2-CG 3.69Å; Y83-M103 HydrophobicContact CG-CB 4.48Å; Y83-M103 PolarHBondContact N-O 2.79Å; Y83-M103 PolarHBondContact O-N 2.93Å; Y83-H105 AromaticContact CD1-CE1 3.7Å; Y83-H105 AromaticContact CE1-CE1 3.79Å |
| 84 | H | 92.8 | Very high | 90.5 | Very high | 16 Ų | 16 | 66.7 Ų | 66.7 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.2 | 169.2 | -177.5 | -101.1 | 0 | 0 | 0 | 110.5 | F55 L69 K70 I72 I86 F101 W102 | F55-H84 HydrophobicContact CD1-CB 4.4Å; F55-H84 HydrophobicContact CE1-CB 3.57Å; F55-H84 AromaticContact CE1-CG 3.8Å; F55-H84 AromaticContact CE1-ND1 3.94Å; F55-H84 HydrophobicContact CZ-CB 4.44Å; L69-H84 CarbonylContact C-O 3.54Å; L69-H84 VanDerWaalsContact CA-O 3.27Å; L69-H84 WeakPolarHBondContact CA-O 3.08Å; K70-H84 PolarHBondContact N-O 3.16Å; K70-H84 PolarHBondContact O-N 2.87Å; I72-H84 HydrophobicContact CG2-CB 4.28Å; H84-I86 WeakPolarHBondContact ND1-CD1 3.42Å; H84-I86 PolarHBondContact O-N 3.13Å; H84-F101 CarbonylContact C-O 3.5Å; H84-F101 VanDerWaalsContact CA-O 3.28Å; H84-F101 WeakPolarHBondContact CA-O 3.16Å; H84-F101 PolarHBondContact CD2-O 3.36Å; H84-W102 AromaticContact CD2-CD1 3.42Å; H84-W102 VanDerWaalsContact CD2-CD1 3.42Å; H84-W102 AromaticContact CD2-CD2 3.74Å; H84-W102 AromaticContact CD2-CE2 3.41Å; H84-W102 VanDerWaalsContact CD2-CE2 3.41Å; H84-W102 AromaticContact CD2-CG 3.71Å; H84-W102 AromaticContact CD2-NE1 3.2Å; H84-W102 PolarHBondContact CD2-NE1 3.48Å; H84-W102 AromaticContact NE2-CD1 3.85Å; H84-W102 AromaticContact NE2-NE1 3.45Å; H84-W102 PolarHBondContact NE2-NE1 3.3Å |
| 85 | V | 92.1 | Very high | 89.3 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 102.2 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | L69 Y83 P88 F101 | L69-V85 HydrophobicContact CD2-CB 4.01Å; L69-V85 HydrophobicContact CD2-CG1 4.08Å; L69-V85 HydrophobicContact CD2-CG2 3.68Å; Y83-V85 HydrophobicContact CD2-CG2 4.44Å; Y83-V85 HydrophobicContact CE2-CG2 4.23Å; V85-P88 HydrophobicContact CG1-CB 4.12Å; V85-F101 HydrophobicContact CB-CB 4.13Å; V85-F101 HydrophobicContact CB-CD1 3.89Å; V85-F101 HydrophobicContact CB-CG 4.47Å; V85-F101 HydrophobicContact CG1-CD1 4.16Å; V85-F101 PolarHBondContact N-O 2.81Å |
| 86 | I | 91.6 | Very high | 87.5 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -41.6 | 179 | -55.3 | -71.8 | 0 | 0 | 0 | 110.8 | F55 K68 K70 H84 | F55-I86 HydrophobicContact CE1-CD1 4.25Å; K68-I86 HydrophobicContact CD-CB 4.49Å; K68-I86 HydrophobicContact CD-CG2 4.33Å; K68-I86 HydrophobicContact CG-CB 4.35Å; K68-I86 PolarHBondContact O-N 2.6Å; K70-I86 HydrophobicContact CB-CD1 3.95Å; K70-I86 HydrophobicContact CB-CG1 3.8Å; K70-I86 HydrophobicContact CD-CD1 4.49Å; H84-I86 WeakPolarHBondContact ND1-CD1 3.42Å; H84-I86 PolarHBondContact O-N 3.13Å |
| 87 | V | 90.9 | Very high | 86.2 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 110.5 | 176.2 | -175 | 0 | 0 | 0 | 0 | 108.7 | C67 K68 | C67-V87 WeakPolarHBondContact CA-O 3.23Å; K68-V87 HydrophobicContact CB-CB 3.83Å; K68-V87 HydrophobicContact CB-CG2 4.18Å; K68-V87 HydrophobicContact CD-CG2 4.13Å; K68-V87 PolarHBondContact N-O 3.06Å; K68-V87 PolarHBondContact O-N 2.82Å; K68-V87 VanDerWaalsContact O-N 3.09Å |
| 88 | P | 89.5 | Confident | 84.6 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | trans | -70.7 | 146.5 | 170.5 | 30.9 | -34.6 | 0 | 0 | 0 | 110.2 | V85 L93 F101 | V85-P88 HydrophobicContact CG1-CB 4.12Å; P88-L93 HydrophobicContact CB-CD1 4.47Å; P88-L93 HydrophobicContact CG-CD1 3.69Å; P88-F101 HydrophobicContact CB-CE1 4.47Å; P88-F101 HydrophobicContact CG-CE1 4.13Å | ||
| 89 | C | 88.5 | Confident | 83.4 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | trans | -76.3 | 164.6 | 168.1 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | C65 C67 S91 C92 L93 | C65-C89 WeakPolarHBondContact O-CB 3.39Å; C65-C89 PolarHBondContact O-SG 3.04Å; C67-C89 PolarHBondContact SG-N 2.93Å; C67-C89 VanDerWaalsContact SG-N 3.36Å; C67-C89 VanDerWaalsContact SG-SG 3.63Å; C89-S91 PolarHBondContact O-N 2.93Å; C89-S91 VanDerWaalsContact O-N 3.15Å; C89-S91 PolarHBondContact SG-OG 3.09Å; C89-C92 PolarHBondContact O-N 3.09Å; C89-C92 VanDerWaalsContact SG-CB 3.58Å; C89-C92 PolarHBondContact SG-N 3.04Å; C89-C92 VanDerWaalsContact SG-N 3.4Å; C89-C92 PolarHBondContact SG-SG 3.34Å; C89-L93 WeakPolarHBondContact O-CB 3.26Å; C89-L93 PolarHBondContact O-N 2.92Å | ||
| 90 | S | 85.4 | Confident | 82.5 | Confident | 108 Ų | 108 | 64.9 Ų | 64.9 | 76% | 0.755 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.6 | -179.5 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | P94 | S90-P94 WeakPolarHBondContact O-CD 3.43Š|
| 91 | S | 85.8 | Confident | 82.1 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -25.2 | 176.9 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | C89 | C89-S91 PolarHBondContact O-N 2.93Å; C89-S91 VanDerWaalsContact O-N 3.15Å; C89-S91 PolarHBondContact SG-OG 3.09Å |
| 92 | C | 84.3 | Confident | 81.7 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -19.5 | 177.7 | -68 | 0 | 0 | 0 | 0 | 112.6 | C89 S95 | C89-C92 PolarHBondContact O-N 3.09Å; C89-C92 VanDerWaalsContact SG-CB 3.58Å; C89-C92 PolarHBondContact SG-N 3.04Å; C89-C92 VanDerWaalsContact SG-N 3.4Å; C89-C92 PolarHBondContact SG-SG 3.34Å; C92-S95 VanDerWaalsContact O-CB 3.3Å; C92-S95 WeakPolarHBondContact O-CB 3.26Å; C92-S95 PolarHBondContact O-N 2.81Å; C92-S95 VanDerWaalsContact O-N 3.07Å; C92-S95 PolarHBondContact O-OG 3.33Å |
| 93 | L | 81.3 | Confident | 81.5 | Confident | 111 Ų | 111 | 68 Ų | 68 | 58% | 0.581 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -45.4 | 175.2 | -174.8 | 68.6 | 0 | 0 | 0 | 113.3 | P88 C89 S95 | P88-L93 HydrophobicContact CB-CD1 4.47Å; P88-L93 HydrophobicContact CG-CD1 3.69Å; C89-L93 WeakPolarHBondContact O-CB 3.26Å; C89-L93 PolarHBondContact O-N 2.92Å; L93-S95 PolarHBondContact O-N 3.31Å |
| 94 | P | 75.4 | Confident | 81.4 | Confident | 101 Ų | 101 | 69.2 Ų | 69.2 | 66% | 0.656 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.8 | 175.5 | 34 | -37.9 | 0 | 0 | 0 | 113.1 | S90 C96 | S90-P94 WeakPolarHBondContact O-CD 3.43Å; P94-C96 PolarHBondContact O-N 3.33Å |
| 95 | S | 70.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -66.8 | 137.4 | 177.4 | 75.4 | 0 | 0 | 0 | 0 | 109.3 | C92 L93 N97 | C92-S95 VanDerWaalsContact O-CB 3.3Å; C92-S95 WeakPolarHBondContact O-CB 3.26Å; C92-S95 PolarHBondContact O-N 2.81Å; C92-S95 VanDerWaalsContact O-N 3.07Å; C92-S95 PolarHBondContact O-OG 3.33Å; L93-S95 PolarHBondContact O-N 3.31Å; S95-N97 PolarHBondContact O-N 2.79Å |
| 96 | C | 55.8 | Low | 81.5 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 84% | 0.838 | 45% | 0.453 | S | S | * | . | trans | -71.5 | 68.3 | -172.2 | -43.8 | 0 | 0 | 0 | 0 | 111.4 | P94 N98 | P94-C96 PolarHBondContact O-N 3.33Å; C96-N98 VanDerWaalsContact C-N 3.26Å | ||
| 97 | N | 63.8 | Low | 81.6 | Confident | 47 Ų | 47 | 82.7 Ų | 82.7 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | trans | -87 | 7.8 | 176 | 62.4 | 27.3 | 0 | 0 | 0 | 112.7 | S95 G99 H100 | S95-N97 PolarHBondContact O-N 2.79Å; N97-G99 PolarHBondContact O-N 3.47Å; N97-G99 PolarHBondContact OD1-N 3.04Å; N97-H100 WeakPolarHBondContact O-CA 3.36Å; N97-H100 VanDerWaalsContact O-CB 3.26Å; N97-H100 WeakPolarHBondContact O-CB 3.28Å; N97-H100 PolarHBondContact O-N 3.4Å | ||
| 98 | N | 60.5 | Low | 81.6 | Confident | 160 Ų | 160 | 81.4 Ų | 81.4 | 86% | 0.856 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 28.4 | -177.3 | -62.5 | -32.5 | 0 | 0 | 0 | 113.4 | C96 H100 | C96-N98 VanDerWaalsContact C-N 3.26Å; N98-H100 PolarHBondContact O-N 3.15Å |
| 99 | G | 67.5 | Low | 81.7 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 54% | 0.536 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 7.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N97 F101 | N97-G99 PolarHBondContact O-N 3.47Å; N97-G99 PolarHBondContact OD1-N 3.04Å; G99-F101 WeakPolarHBondContact O-CD2 3.27Å; G99-F101 PolarHBondContact O-N 3.45Å |
| 100 | H | 76.6 | Confident | 81.8 | Confident | 96 Ų | 96 | 90.7 Ų | 90.7 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | trans | -90.9 | 92.1 | -177.6 | -162.8 | -106.7 | 0 | 0 | 0 | 110.7 | N97 N98 W102 | N97-H100 WeakPolarHBondContact O-CA 3.36Å; N97-H100 VanDerWaalsContact O-CB 3.26Å; N97-H100 WeakPolarHBondContact O-CB 3.28Å; N97-H100 PolarHBondContact O-N 3.4Å; N98-H100 PolarHBondContact O-N 3.15Å; H100-W102 VanDerWaalsContact C-N 3.26Å; H100-W102 PolarHBondContact CE1-O 3.2Å; H100-W102 PolarHBondContact ND1-O 3.45Å; H100-W102 PolarHBondContact O-N 3.43Å | ||
| 101 | F | 86.1 | Confident | 82 | Confident | 63 Ų | 63 | 92.2 Ų | 92.2 | 28% | 0.276 | 51% | 0.514 | S | S | . | . | trans | -82.7 | -3.4 | 178.8 | -63.8 | -69.3 | 0 | 0 | 0 | 113.7 | H84 V85 P88 G99 | H84-F101 CarbonylContact C-O 3.5Å; H84-F101 VanDerWaalsContact CA-O 3.28Å; H84-F101 WeakPolarHBondContact CA-O 3.16Å; H84-F101 PolarHBondContact CD2-O 3.36Å; V85-F101 HydrophobicContact CB-CB 4.13Å; V85-F101 HydrophobicContact CB-CD1 3.89Å; V85-F101 HydrophobicContact CB-CG 4.47Å; V85-F101 HydrophobicContact CG1-CD1 4.16Å; V85-F101 PolarHBondContact N-O 2.81Å; P88-F101 HydrophobicContact CB-CE1 4.47Å; P88-F101 HydrophobicContact CG-CE1 4.13Å; G99-F101 WeakPolarHBondContact O-CD2 3.27Å; G99-F101 PolarHBondContact O-N 3.45Å | ||
| 102 | W | 88.7 | Confident | 82.2 | Confident | 18 Ų | 18 | 94.7 Ų | 94.7 | 7% | 0.068 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.7 | 174.7 | -66.2 | 76.1 | 0 | 0 | 0 | 109.8 | T46 V53 F55 I72 H84 H100 | T46-W102 HydrophobicContact CG2-CZ2 4.29Å; T46-W102 WeakPolarHBondContact O-CZ2 3.39Å; V53-W102 HydrophobicContact CG2-CE3 4.33Å; V53-W102 HydrophobicContact CG2-CZ3 3.81Å; F55-W102 HydrophobicContact CE1-CH2 4.16Å; F55-W102 HydrophobicContact CE1-CZ2 4.38Å; F55-W102 HydrophobicContact CE2-CH2 4.42Å; F55-W102 AromaticContact CZ-CH2 3.95Å; F55-W102 HydrophobicContact CZ-CH2 3.95Å; F55-W102 AromaticContact CZ-CZ2 3.93Å; F55-W102 HydrophobicContact CZ-CZ2 3.93Å; I72-W102 HydrophobicContact CB-CZ3 4.25Å; I72-W102 HydrophobicContact CD1-CE3 3.69Å; I72-W102 HydrophobicContact CD1-CZ3 4.01Å; I72-W102 HydrophobicContact CG2-CE3 4.07Å; I72-W102 HydrophobicContact CG2-CH2 4.24Å; I72-W102 HydrophobicContact CG2-CZ3 3.55Å; H84-W102 AromaticContact CD2-CD1 3.42Å; H84-W102 VanDerWaalsContact CD2-CD1 3.42Å; H84-W102 AromaticContact CD2-CD2 3.74Å; H84-W102 AromaticContact CD2-CE2 3.41Å; H84-W102 VanDerWaalsContact CD2-CE2 3.41Å; H84-W102 AromaticContact CD2-CG 3.71Å; H84-W102 AromaticContact CD2-NE1 3.2Å; H84-W102 PolarHBondContact CD2-NE1 3.48Å; H84-W102 AromaticContact NE2-CD1 3.85Å; H84-W102 AromaticContact NE2-NE1 3.45Å; H84-W102 PolarHBondContact NE2-NE1 3.3Å; H100-W102 VanDerWaalsContact C-N 3.26Å; H100-W102 PolarHBondContact CE1-O 3.2Å; H100-W102 PolarHBondContact ND1-O 3.45Å; H100-W102 PolarHBondContact O-N 3.43Å |
| 103 | M | 90.2 | Very high | 82.6 | Confident | 81 Ų | 81 | 97.7 Ų | 97.7 | 40% | 0.399 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 121.5 | -179 | -63.9 | -62.2 | -67.2 | 0 | 0 | 109.3 | G82 Y83 | G82-M103 CarbonylContact C-O 3.56Å; G82-M103 WeakPolarHBondContact CA-O 3.28Å; Y83-M103 HydrophobicContact CD1-CB 4.46Å; Y83-M103 HydrophobicContact CD2-CB 4.03Å; Y83-M103 HydrophobicContact CD2-CG 4.43Å; Y83-M103 HydrophobicContact CE1-CB 4.01Å; Y83-M103 HydrophobicContact CE2-CB 3.54Å; Y83-M103 HydrophobicContact CE2-CG 3.69Å; Y83-M103 HydrophobicContact CG-CB 4.48Å; Y83-M103 PolarHBondContact N-O 2.79Å; Y83-M103 PolarHBondContact O-N 2.93Å |
| 104 | F | 92.8 | Very high | 83 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 39% | 0.386 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 143.8 | 175.9 | -63.7 | -77.2 | 0 | 0 | 0 | 111.5 | V53 I72 V81 S106 V109 | V53-F104 HydrophobicContact CG1-CE1 4.3Å; V53-F104 HydrophobicContact CG2-CE1 4.48Å; I72-F104 HydrophobicContact CD1-CD1 4.07Å; I72-F104 HydrophobicContact CD1-CE1 3.68Å; I72-F104 HydrophobicContact CD1-CZ 4.28Å; V81-F104 HydrophobicContact CB-CD1 4.34Å; V81-F104 HydrophobicContact CG2-CD1 4.08Å; V81-F104 HydrophobicContact CG2-CE1 4.07Å; V81-F104 WeakPolarHBondContact O-CA 3.41Å; F104-S106 PolarHBondContact O-N 2.83Å; F104-V109 HydrophobicContact CB-CG1 4.23Å; F104-V109 HydrophobicContact CB-CG2 3.59Å; F104-V109 HydrophobicContact CD1-CG1 3.96Å; F104-V109 HydrophobicContact CG-CG1 4.34Å; F104-V109 HydrophobicContact CG-CG2 4.27Å |
| 105 | H | 94.1 | Very high | 83.8 | Confident | 80 Ų | 80 | 101 Ų | 101 | 37% | 0.37 | 53% | 0.531 | S | S | . | . | trans | -76.5 | 122.8 | 171.3 | -67.1 | -50 | 0 | 0 | 0 | 109.6 | V81 Y83 Q107 A108 V109 | V81-H105 PolarHBondContact O-N 3.07Å; Y83-H105 AromaticContact CD1-CE1 3.7Å; Y83-H105 AromaticContact CE1-CE1 3.79Å; H105-Q107 PolarHBondContact O-N 3Å; H105-A108 HydrophobicContact CB-CB 4.01Å; H105-A108 PolarHBondContact O-N 2.61Å; H105-V109 PolarHBondContact O-N 3.07Å | ||
| 106 | S | 92.5 | Very high | 84.7 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 76% | 0.762 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.7 | -179.2 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | F104 | F104-S106 PolarHBondContact O-N 2.83Š|
| 107 | Q | 92.9 | Very high | 86.2 | Confident | 193 Ų | 193 | 100.6 Ų | 100.6 | 90% | 0.902 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -13.6 | 175.9 | -61.9 | 177.4 | 25.1 | 0 | 0 | 113.1 | H105 | H105-Q107 PolarHBondContact O-N 3Š|
| 108 | A | 91.8 | Very high | 87.4 | Confident | 50 Ų | 50 | 102.4 Ų | 102.4 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -16 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V81 H105 | V81-A108 HydrophobicContact CB-CB 4.43Å; V81-A108 HydrophobicContact CG1-CB 4.47Å; H105-A108 HydrophobicContact CB-CB 4.01Å; H105-A108 PolarHBondContact O-N 2.61Å |
| 109 | V | 91.7 | Very high | 88.8 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 35% | 0.345 | 52% | 0.518 | S | S | . | . | trans | -133.6 | 159 | 178.6 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | V81 F104 H105 | V81-V109 HydrophobicContact CB-CG1 3.94Å; V81-V109 HydrophobicContact CG1-CG1 4.29Å; F104-V109 HydrophobicContact CB-CG1 4.23Å; F104-V109 HydrophobicContact CB-CG2 3.59Å; F104-V109 HydrophobicContact CD1-CG1 3.96Å; F104-V109 HydrophobicContact CG-CG1 4.34Å; F104-V109 HydrophobicContact CG-CG2 4.27Å; H105-V109 PolarHBondContact O-N 3.07Å | ||
| 110 | Y | 91.3 | Very high | 89.9 | Confident | 193 Ų | 193 | 99.7 Ų | 99.7 | 76% | 0.757 | 53% | 0.526 | S | S | * | . | trans | -126 | 145.3 | 167.3 | 59.1 | -87.1 | 0 | 0 | 0 | 108 | I112 | Y110-I112 HydrophobicContact CD2-CD1 4.37Å; Y110-I112 HydrophobicContact CD2-CG1 4.01Å; Y110-I112 HydrophobicContact CE2-CD1 3.68Å; Y110-I112 HydrophobicContact CE2-CG1 3.84Å | ||
| 111 | D | 89.6 | Confident | 90.6 | Very high | 141 Ų | 141 | 99.6 Ų | 99.6 | 75% | 0.754 | 53% | 0.528 | S | S | * | . | trans | -85.7 | 147.7 | 175.9 | 61.8 | -66.1 | 0 | 0 | 0 | 111.1 | ||||
| 112 | I | 89.7 | Confident | 90.8 | Very high | 137 Ų | 137 | 100.4 Ų | 100.4 | 70% | 0.703 | 54% | 0.535 | S | S | * | . | trans | -127.8 | 128.4 | 166.6 | -60.5 | 167.4 | 0 | 0 | 0 | 106.3 | Y110 R114 | Y110-I112 HydrophobicContact CD2-CD1 4.37Å; Y110-I112 HydrophobicContact CD2-CG1 4.01Å; Y110-I112 HydrophobicContact CE2-CD1 3.68Å; Y110-I112 HydrophobicContact CE2-CG1 3.84Å; I112-R114 PolarHBondContact O-N 3.31Å | ||
| 113 | N | 91.3 | Very high | 90.9 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 129.2 | 174.7 | -71.6 | -63.1 | 0 | 0 | 0 | 110.6 | I122 | N113-I122 HydrophobicContact CB-CD1 4.21Å; N113-I122 HydrophobicContact CB-CG1 4.08Å; N113-I122 HydrophobicContact CB-CG2 4.1Å |
| 114 | R | 90.9 | Very high | 91 | Very high | 199 Ų | 199 | 103 Ų | 103 | 75% | 0.751 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135 | 172.3 | -175.1 | 169 | 177.8 | -177.4 | 1.7 | 109.1 | I112 L123 | I112-R114 PolarHBondContact O-N 3.31Å; R114-L123 HydrophobicContact CB-CB 4.47Å; R114-L123 HydrophobicContact CG-CB 4.36Å; R114-L123 HydrophobicContact CG-CD2 4.05Å; R114-L123 WeakPolarHBondContact O-CB 3.04Å; R114-L123 PolarHBondContact O-N 2.8Å |
| 115 | L | 91.6 | Very high | 90.6 | Very high | 84 Ų | 84 | 109.8 Ų | 109.8 | 44% | 0.44 | 57% | 0.574 | S | S | . | * | B | Isolated β-bridge | trans | -90 | 153.3 | 174.3 | -56.5 | 176.7 | 0 | 0 | 0 | 110.2 | G119 N121 | L115-G119 WeakPolarHBondContact CD1-O 3.3Å; L115-N121 CarbonylContact C-O 3.54Å; L115-N121 VanDerWaalsContact CA-O 3.22Å; L115-N121 WeakPolarHBondContact CA-O 3.4Å; L115-N121 WeakPolarHBondContact CD2-O 3.48Å |
| 116 | D | 89.3 | Confident | 90.2 | Very high | 39 Ų | 39 | 109.6 Ų | 109.6 | 21% | 0.209 | 59% | 0.594 | C | S | . | * | trans | -69.4 | -178 | 173.7 | 70.1 | 5.8 | 0 | 0 | 0 | 112 | T118 G119 N121 L123 | D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 3.29Å; D116-T118 VanDerWaalsContact O-N 3.16Å; D116-T118 WeakPolarHBondContact OD1-CA 3.4Å; D116-T118 VanDerWaalsContact OD1-CB 3.3Å; D116-T118 WeakPolarHBondContact OD1-CB 3.44Å; D116-T118 PolarHBondContact OD1-N 3.03Å; D116-T118 PolarHBondContact OD1-OG1 2.73Å; D116-T118 PolarHBondContact OD2-OG1 3.42Å; D116-G119 PolarHBondContact O-N 3.41Å; D116-G119 PolarHBondContact OD1-N 3.09Å; D116-G119 VanDerWaalsContact OD1-N 3.13Å; D116-N121 PolarHBondContact N-O 3.18Å; D116-N121 WeakPolarHBondContact OD2-CB 3.01Å; D116-N121 PolarHBondContact OD2-ND2 3.05Å; D116-L123 HydrophobicContact CB-CD1 4.14Å | ||
| 117 | S | 87.4 | Confident | 89.8 | Confident | 131 Ų | 131 | 110 Ų | 110 | 92% | 0.916 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -19.5 | 178.3 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | G119 | S117-G119 VanDerWaalsContact C-N 3.31Š|
| 118 | T | 89.3 | Confident | 89.2 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 52% | 0.515 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -20.5 | 174.9 | 79.9 | 0 | 0 | 0 | 0 | 111.9 | D116 V120 | D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 3.29Å; D116-T118 VanDerWaalsContact O-N 3.16Å; D116-T118 WeakPolarHBondContact OD1-CA 3.4Å; D116-T118 VanDerWaalsContact OD1-CB 3.3Å; D116-T118 WeakPolarHBondContact OD1-CB 3.44Å; D116-T118 PolarHBondContact OD1-N 3.03Å; D116-T118 PolarHBondContact OD1-OG1 2.73Å; D116-T118 PolarHBondContact OD2-OG1 3.42Å; T118-V120 PolarHBondContact O-N 3.29Å; T118-V120 PolarHBondContact OG1-N 2.87Å |
| 119 | G | 89.4 | Confident | 88.7 | Confident | 42 Ų | 42 | 107.6 Ų | 107.6 | 43% | 0.433 | 58% | 0.58 | S | S | . | * | S | Bend | trans | 70.5 | 13.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L115 D116 S117 | L115-G119 WeakPolarHBondContact CD1-O 3.3Å; D116-G119 PolarHBondContact O-N 3.41Å; D116-G119 PolarHBondContact OD1-N 3.09Å; D116-G119 VanDerWaalsContact OD1-N 3.13Å; S117-G119 VanDerWaalsContact C-N 3.31Å |
| 120 | V | 90.1 | Very high | 88 | Confident | 113 Ų | 113 | 113.9 Ų | 113.9 | 69% | 0.685 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -113.7 | -43.6 | -178 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | T118 | T118-V120 PolarHBondContact O-N 3.29Å; T118-V120 PolarHBondContact OG1-N 2.87Å |
| 121 | N | 90.9 | Very high | 87.2 | Confident | 94 Ų | 94 | 111.9 Ų | 111.9 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -98.3 | 155.8 | -177.5 | -53.3 | -66.1 | 0 | 0 | 0 | 111.5 | L115 D116 L123 | L115-N121 CarbonylContact C-O 3.54Å; L115-N121 VanDerWaalsContact CA-O 3.22Å; L115-N121 WeakPolarHBondContact CA-O 3.4Å; L115-N121 WeakPolarHBondContact CD2-O 3.48Å; D116-N121 PolarHBondContact N-O 3.18Å; D116-N121 WeakPolarHBondContact OD2-CB 3.01Å; D116-N121 PolarHBondContact OD2-ND2 3.05Å; N121-L123 PolarHBondContact O-N 3.15Å |
| 122 | I | 92.3 | Very high | 86 | Confident | 80 Ų | 80 | 114 Ų | 114 | 41% | 0.41 | 61% | 0.611 | S | S | . | * | B | Isolated β-bridge | trans | -67.1 | 132.1 | 170.8 | -62.4 | 173.4 | 0 | 0 | 0 | 108.5 | N113 L124 | N113-I122 HydrophobicContact CB-CD1 4.21Å; N113-I122 HydrophobicContact CB-CG1 4.08Å; N113-I122 HydrophobicContact CB-CG2 4.1Å; I122-L124 HydrophobicContact CG2-CD2 4.02Å; I122-L124 PolarHBondContact O-N 2.89Å |
| 123 | L | 90.8 | Very high | 84.5 | Confident | 55 Ų | 55 | 115.8 Ų | 115.8 | 29% | 0.288 | 62% | 0.617 | S | S | . | * | trans | -70.1 | 113.4 | 173.8 | -176.8 | 65.1 | 0 | 0 | 0 | 109.5 | R114 D116 N121 | R114-L123 HydrophobicContact CB-CB 4.47Å; R114-L123 HydrophobicContact CG-CB 4.36Å; R114-L123 HydrophobicContact CG-CD2 4.05Å; R114-L123 WeakPolarHBondContact O-CB 3.04Å; R114-L123 PolarHBondContact O-N 2.8Å; D116-L123 HydrophobicContact CB-CD1 4.14Å; N121-L123 PolarHBondContact O-N 3.15Å | ||
| 124 | L | 90.4 | Very high | 82.8 | Confident | 98 Ų | 98 | 115.7 Ų | 115.7 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | trans | -107 | 145.1 | 177.1 | -59.1 | 178.2 | 0 | 0 | 0 | 110 | I122 G126 N127 | I122-L124 HydrophobicContact CG2-CD2 4.02Å; I122-L124 PolarHBondContact O-N 2.89Å; L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 2.87Å; L124-N127 PolarHBondContact O-N 3.05Å | ||
| 125 | W | 86.3 | Confident | 81 | Confident | 231 Ų | 231 | 112.4 Ų | 112.4 | 88% | 0.875 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -56 | -38.6 | 178.4 | -71.3 | 99.3 | 0 | 0 | 0 | 113.3 | N127 L128 | W125-N127 PolarHBondContact O-N 3.04Å; W125-L128 HydrophobicContact CB-CD1 4.43Å; W125-L128 HydrophobicContact CD2-CD1 4.1Å; W125-L128 HydrophobicContact CE3-CD1 3.28Å; W125-L128 HydrophobicContact CZ3-CD1 3.81Å; W125-L128 WeakPolarHBondContact O-CD1 3.47Å; W125-L128 PolarHBondContact O-N 2.83Å |
| 126 | G | 85 | Confident | 79.3 | Confident | 77 Ų | 77 | 114.7 Ų | 114.7 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -69.1 | -8.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | L124 | L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 2.87Å |
| 127 | N | 83.3 | Confident | 77.7 | Confident | 116 Ų | 116 | 121.5 Ų | 121.5 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -112.6 | 11 | -179.4 | -59.6 | -8.2 | 0 | 0 | 0 | 112 | L124 W125 | L124-N127 PolarHBondContact O-N 3.05Å; W125-N127 PolarHBondContact O-N 3.04Å |
| 128 | L | 81.6 | Confident | 76 | Confident | 81 Ų | 81 | 122.1 Ų | 122.1 | 42% | 0.424 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -66.4 | 137.1 | 173 | -77.8 | 157.4 | 0 | 0 | 0 | 109 | W125 E130 | W125-L128 HydrophobicContact CB-CD1 4.43Å; W125-L128 HydrophobicContact CD2-CD1 4.1Å; W125-L128 HydrophobicContact CE3-CD1 3.28Å; W125-L128 HydrophobicContact CZ3-CD1 3.81Å; W125-L128 WeakPolarHBondContact O-CD1 3.47Å; W125-L128 PolarHBondContact O-N 2.83Å; L128-E130 PolarHBondContact O-N 2.94Å |
| 129 | P | 80.3 | Confident | 74.3 | Confident | 113 Ų | 113 | 123.9 Ų | 123.9 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136.9 | 175 | 23 | -29.8 | 0 | 0 | 0 | 109.6 | I131 | P129-I131 PolarHBondContact O-N 3.26Š|
| 130 | E | 77.2 | Confident | 72.3 | Confident | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.5 | 168.1 | -70.5 | -179.2 | 174.4 | 0 | 0 | 107.9 | L128 E132 | L128-E130 PolarHBondContact O-N 2.94Å; E130-E132 PolarHBondContact O-N 2.7Å; E130-E132 VanDerWaalsContact O-N 3.09Å |
| 131 | I | 74.8 | Confident | 70.3 | Confident | 152 Ų | 152 | 131.2 Ų | 131.2 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | trans | -64.4 | 114.1 | 170.2 | -82.2 | 168.2 | 0 | 0 | 0 | 105.8 | P129 E133 | P129-I131 PolarHBondContact O-N 3.26Å; I131-E133 PolarHBondContact O-N 2.77Å | ||
| 132 | E | 64 | Low | 68.2 | Low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -60.3 | 111.4 | 163 | -67.3 | 179.1 | -173.4 | 0 | 0 | 105.9 | E130 S134 | E130-E132 PolarHBondContact O-N 2.7Å; E130-E132 VanDerWaalsContact O-N 3.09Å; E132-S134 VanDerWaalsContact C-N 3.33Å; E132-S134 PolarHBondContact O-N 2.73Å | ||
| 133 | E | 57.5 | Low | 65.9 | Low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | -59.6 | 100.4 | 171.5 | -71.5 | -179.9 | 169 | 0 | 0 | 107 | I131 T135 | I131-E133 PolarHBondContact O-N 2.77Å; E133-T135 PolarHBondContact O-N 3.16Å | ||
| 134 | S | 56.4 | Low | 63.9 | Low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | trans | -59.1 | 111.6 | 168.8 | 52.8 | 0 | 0 | 0 | 0 | 106.5 | E132 D136 | E132-S134 VanDerWaalsContact C-N 3.33Å; E132-S134 PolarHBondContact O-N 2.73Å; S134-D136 PolarHBondContact O-N 2.99Å | ||
| 135 | T | 52.4 | Low | 61.9 | Low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -70.7 | 54.2 | 174.6 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | E133 | E133-T135 PolarHBondContact O-N 3.16Š| ||
| 136 | D | 56.5 | Low | 60 | Low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -104.7 | 81.5 | 169.2 | -63.6 | -36 | 0 | 0 | 0 | 105.9 | S134 D138 | S134-D136 PolarHBondContact O-N 2.99Å; D136-D138 PolarHBondContact O-N 3.47Å | ||
| 137 | E | 56.6 | Low | 57.9 | Low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -56.8 | 76.9 | 164.4 | -72 | -84.8 | 164.6 | 0 | 0 | 109.3 | ||||
| 138 | D | 51.6 | Low | 56 | Low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | -158.8 | 102.7 | 164.2 | -89.7 | -40.4 | 0 | 0 | 0 | 111.8 | D136 | D136-D138 PolarHBondContact O-N 3.47Š| ||
| 139 | V | 53 | Low | 53.8 | Low | 121 Ų | 121 | 148 Ų | 148 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 62.6 | 100.4 | 142.5 | -167 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 140 | L | 46.9 | Very low | 52.5 | Low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | -172.3 | 114.3 | 109.1 | -90 | 177.1 | 0 | 0 | 0 | 109.3 | I142 | L140-I142 VanDerWaalsContact C-N 3.32Å; L140-I142 PolarHBondContact O-N 2.97Å | |||
| 141 | N | 49.5 | Very low | 51.2 | Low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -62.2 | 87.8 | 171.3 | -170.5 | 12 | 0 | 0 | 0 | 109.5 | S143 | N141-S143 PolarHBondContact O-N 3.27Š| ||
| 142 | I | 46.9 | Very low | 49.9 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -75.6 | 88.7 | 167.1 | -53 | 172.4 | 0 | 0 | 0 | 105.6 | L140 A144 | L140-I142 VanDerWaalsContact C-N 3.32Å; L140-I142 PolarHBondContact O-N 2.97Å; I142-A144 PolarHBondContact O-N 2.88Å | ||
| 143 | S | 43.6 | Very low | 49.1 | Very low | 60 Ų | 60 | 145.3 Ų | 145.3 | 42% | 0.42 | 77% | 0.769 | S | S | . | * | trans | -47.9 | 126.5 | 169.5 | 148.2 | 0 | 0 | 0 | 0 | 109.1 | N141 E145 | N141-S143 PolarHBondContact O-N 3.27Å; S143-E145 WeakPolarHBondContact CB-OE2 3.5Å; S143-E145 PolarHBondContact O-N 2.8Å; S143-E145 WeakPolarHBondContact OG-CB 3.49Å; S143-E145 PolarHBondContact OG-N 2.56Å; S143-E145 PolarHBondContact OG-OE2 3.01Å | ||
| 144 | A | 48.9 | Very low | 48.6 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 11.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I142 | I142-A144 PolarHBondContact O-N 2.88Š|
| 145 | E | 47.4 | Very low | 48 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 1.7 | -175.2 | -75.5 | 75.9 | -164.9 | 0 | 0 | 114.6 | S143 | S143-E145 WeakPolarHBondContact CB-OE2 3.5Å; S143-E145 PolarHBondContact O-N 2.8Å; S143-E145 WeakPolarHBondContact OG-CB 3.49Å; S143-E145 PolarHBondContact OG-N 2.56Å; S143-E145 PolarHBondContact OG-OE2 3.01Å |
| 146 | E | 46.3 | Very low | 47.7 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -107 | 30.3 | 176.8 | -149.3 | 177.7 | 175.5 | 0 | 0 | 114.2 | ||||
| 147 | C | 41.7 | Very low | 47.1 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -113.8 | 29.7 | 173.6 | -73.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 148 | I | 42.8 | Very low | 46.3 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | -149.4 | 92.2 | 162.6 | -47.3 | 175.1 | 0 | 0 | 0 | 109 | ||||
| 149 | R | 36.7 | Very low | 45.8 | Very low | 290 Ų | 290 | 146.6 Ų | 146.6 | 100% | 1.094 | 77% | 0.771 | S | S | * | * | trans | -141 | 0 | 156.8 | -83.6 | -163.9 | 171.9 | 85 | 3.9 | 110.8 |
Retrieved 149 of 149 residues in 47.8 ms
(Link to these results)