| 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 | 33.5 | Very low | 31.5 | Very low | 257 Ų | 257 | 144.9 Ų | 144.9 | 100% | 1.266 | 85% | 0.851 | S | S | * | * | 0 | 113.6 | 0 | -88.1 | 165 | 150.9 | 0 | 0 | 108 | |||||
| 2 | G | 30.8 | Very low | 31.6 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -171.8 | 123.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | I | 35.4 | Very low | 31.3 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | trans | -113 | 142.5 | -176.7 | -64.6 | 178.6 | 0 | 0 | 0 | 109.2 | ||||
| 4 | S | 34.8 | Very low | 31.6 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | trans | -75.1 | 170.9 | -174.2 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 5 | V | 31.8 | Very low | 31.5 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | -157.9 | 148.5 | 108.3 | 170.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 6 | S | 29.7 | Very low | 31.4 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 63% | 0.629 | 84% | 0.835 | S | S | * | * | trans | -83.8 | 154.2 | -165.5 | 176.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 7 | C | 26.7 | Very low | 31.3 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -139.4 | 131 | 151.9 | -84.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 8 | T | 28.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -126.9 | 133.6 | 172 | 29.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 9 | S | 36.8 | Very low | 31 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -96.5 | 162.5 | 174.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | K | 28 | Very low | 30.8 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | 177.8 | 156.6 | 150.2 | -106.1 | 180 | -179.6 | -171.1 | 0 | 110.1 | ||||
| 11 | E | 29.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -163.2 | 152 | -48.8 | -178.7 | 171 | 160.2 | 0 | 0 | 105.9 | ||||
| 12 | T | 33.5 | Very low | 30.2 | Very low | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -52.5 | 158.1 | -180 | -52.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 13 | T | 26.6 | Very low | 30.2 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | -160.7 | 129.5 | 127.9 | 2.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 14 | L | 36.3 | Very low | 30.3 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -100.2 | 162.8 | 169 | -78.1 | 165.9 | 0 | 0 | 0 | 109.6 | ||||
| 15 | I | 30.6 | Very low | 30.4 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | trans | -172.1 | 143.9 | 133.8 | -87.1 | 146.4 | 0 | 0 | 0 | 109.3 | ||||
| 16 | D | 28.6 | Very low | 30.4 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -123.4 | 159.3 | -168.9 | -128.5 | -18.8 | 0 | 0 | 0 | 112.4 | ||||
| 17 | K | 30.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 70% | 0.704 | 81% | 0.805 | S | S | * | * | trans | 69 | 150 | 159.9 | -89.2 | 177.4 | 147.4 | -134.1 | 0 | 120.6 | ||||
| 18 | E | 31.7 | Very low | 30.4 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | cis | -160.2 | 157.9 | 10.4 | -134.3 | 151.7 | 160.7 | 0 | 0 | 106.1 | ||||
| 19 | D | 24.9 | Very low | 30.5 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | 172.3 | 142.6 | 75.9 | -150 | -5.7 | 0 | 0 | 0 | 112.9 | |||||
| 20 | S | 26.9 | Very low | 30.1 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 24.6 | 131.7 | 150.3 | -54.3 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 21 | L | 26.1 | Very low | 30.3 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | 135.2 | 130.1 | 108.5 | -145.2 | 79.9 | 0 | 0 | 0 | 118.3 | |||||
| 22 | A | 26.8 | Very low | 30.3 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 82.8 | 119 | 148.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 23 | S | 31.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -83.1 | 159.2 | 154.9 | -51 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 24 | P | 37 | Very low | 30.7 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | -139.3 | 156.3 | 127.1 | 25.9 | -6.7 | 0 | 0 | 0 | 114.5 | |||||
| 25 | V | 36 | Very low | 31.3 | Very low | 136 Ų | 136 | 139 Ų | 139 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -92.5 | 140 | 167 | 170.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 26 | E | 32.3 | Very low | 31.7 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -169.9 | 157.2 | 131.7 | -106.4 | -168.7 | -172.7 | 0 | 0 | 114.3 | ||||
| 27 | D | 28.3 | Very low | 32.5 | Very low | 172 Ų | 172 | 135 Ų | 135 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | trans | -61.8 | 162.4 | -168.6 | -105 | -36.8 | 0 | 0 | 0 | 117.7 | ||||
| 28 | G | 27.3 | Very low | 33.4 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 158.4 | 104.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 29 | M | 31.4 | Very low | 34.3 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -48.3 | 143.8 | 173.9 | -155.8 | 94.6 | 89.4 | 0 | 0 | 115.4 | ||||
| 30 | T | 29 | Very low | 35.4 | Very low | 143 Ų | 143 | 133 Ų | 133 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -170.7 | 147.4 | 134.1 | 17.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 31 | E | 31.3 | Very low | 36.4 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -66.8 | 170.5 | -171.3 | -74.8 | 175 | 123.1 | 0 | 0 | 118.1 | ||||
| 32 | N | 30.2 | Very low | 37.3 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 96.6 | 94.4 | 147.1 | -71.3 | -25.7 | 0 | 0 | 0 | 118.7 | ||||
| 33 | G | 32.7 | Very low | 38.4 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | 69.2 | 105.3 | 105.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 34 | S | 36.3 | Very low | 39.7 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -162.5 | 108.4 | 132.9 | 42.6 | 0 | 0 | 0 | 0 | 110 | A36 | S34-A36 PolarHBondContact O-N 3.37Š| ||
| 35 | V | 47.8 | Very low | 40.7 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 93% | 0.933 | 78% | 0.777 | S | S | * | * | trans | -65.9 | 116.1 | 161 | 173.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 36 | A | 39.6 | Very low | 41.5 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -123.2 | 92.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S34 | S34-A36 PolarHBondContact O-N 3.37Š| ||
| 37 | D | 44.9 | Very low | 42.7 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 41.4 | 87.5 | 135.9 | -153.4 | 22.1 | 0 | 0 | 0 | 117.6 | ||||
| 38 | V | 50.2 | Low | 43.8 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -84.7 | 111.5 | 162.3 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | Q40 | V38-Q40 PolarHBondContact O-N 3.2Š| ||
| 39 | S | 50.6 | Low | 45.2 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 54% | 0.538 | 76% | 0.755 | S | S | . | * | trans | -49.3 | 110.3 | 174.7 | 45.1 | 0 | 0 | 0 | 0 | 111.6 | F41 | S39-F41 WeakPolarHBondContact O-CD2 3.13Å; S39-F41 PolarHBondContact O-N 3.17Å; S39-F41 VanDerWaalsContact O-N 3.07Å; S39-F41 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 40 | Q | 48.3 | Very low | 46.3 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -78.7 | 93.3 | 178.5 | -169.3 | 155.4 | -12.5 | 0 | 0 | 109.6 | V38 | V38-Q40 PolarHBondContact O-N 3.2Š| ||
| 41 | F | 47.3 | Very low | 47.8 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.5 | 168 | -68.9 | -84.4 | 0 | 0 | 0 | 109.4 | S39 Y43 | S39-F41 WeakPolarHBondContact O-CD2 3.13Å; S39-F41 PolarHBondContact O-N 3.17Å; S39-F41 VanDerWaalsContact O-N 3.07Å; S39-F41 WeakPolarHBondContact OG-CE2 3.33Å; F41-Y43 PolarHBondContact O-N 3.39Å |
| 42 | P | 44.3 | Very low | 49.4 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 122.5 | -179.9 | 25.2 | -31.3 | 0 | 0 | 0 | 109.9 | V44 | P42-V44 PolarHBondContact O-N 3.14Š|
| 43 | Y | 50.9 | Low | 50.9 | Low | 155 Ų | 155 | 129.1 Ų | 129.1 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.9 | 171.1 | 178 | -107.6 | 0 | 0 | 0 | 109.1 | F41 E45 | F41-Y43 PolarHBondContact O-N 3.39Å; Y43-E45 HydrophobicContact CD1-CG 4.13Å; Y43-E45 HydrophobicContact CE1-CG 3.3Å |
| 44 | V | 58.2 | Low | 52 | Low | 102 Ų | 102 | 128.3 Ų | 128.3 | 62% | 0.618 | 71% | 0.708 | S | S | * | * | trans | -115.3 | 117 | 176 | -97.1 | 0 | 0 | 0 | 0 | 109.1 | P42 F46 | P42-V44 PolarHBondContact O-N 3.14Å; V44-F46 HydrophobicContact CB-CD2 4.37Å; V44-F46 HydrophobicContact CB-CE2 4.3Å; V44-F46 HydrophobicContact CG2-CD2 4.42Å; V44-F46 HydrophobicContact CG2-CE2 4.14Å; V44-F46 PolarHBondContact O-N 3.26Å | ||
| 45 | E | 58.4 | Low | 53.3 | Low | 134 Ų | 134 | 128.1 Ų | 128.1 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | -77.8 | 101.1 | 170.2 | -71.6 | 179.9 | 164.7 | 0 | 0 | 109.2 | Y43 T47 | Y43-E45 HydrophobicContact CD1-CG 4.13Å; Y43-E45 HydrophobicContact CE1-CG 3.3Å; E45-T47 VanDerWaalsContact C-N 3.3Å; E45-T47 PolarHBondContact O-N 3.39Å; E45-T47 VanDerWaalsContact O-N 3.12Å | ||
| 46 | F | 52.1 | Low | 54 | Low | 177 Ų | 177 | 123.2 Ų | 123.2 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -79.7 | 79.5 | 165.7 | -85.6 | -91.4 | 0 | 0 | 0 | 109.1 | V44 G48 | V44-F46 HydrophobicContact CB-CD2 4.37Å; V44-F46 HydrophobicContact CB-CE2 4.3Å; V44-F46 HydrophobicContact CG2-CD2 4.42Å; V44-F46 HydrophobicContact CG2-CE2 4.14Å; V44-F46 PolarHBondContact O-N 3.26Å; F46-G48 PolarHBondContact O-N 3.07Å | ||
| 47 | T | 58.4 | Low | 55.1 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | trans | -76.1 | 72.6 | 164.3 | 56.5 | 0 | 0 | 0 | 0 | 109 | E45 | E45-T47 VanDerWaalsContact C-N 3.3Å; E45-T47 PolarHBondContact O-N 3.39Å; E45-T47 VanDerWaalsContact O-N 3.12Å | ||
| 48 | G | 51.6 | Low | 56.1 | Low | 41 Ų | 41 | 120.5 Ų | 120.5 | 42% | 0.423 | 65% | 0.645 | S | S | . | * | trans | -71.8 | 146.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F46 D50 S51 | F46-G48 PolarHBondContact O-N 3.07Å; G48-D50 PolarHBondContact O-N 3.28Å; G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.95Å; G48-S51 PolarHBondContact O-OG 2.91Å; G48-S51 VanDerWaalsContact O-OG 3.11Å | ||
| 49 | R | 55.8 | Low | 56.9 | Low | 256 Ų | 256 | 115.8 Ų | 115.8 | 97% | 0.966 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -7.1 | -172.5 | -121.5 | 175.5 | -161.2 | 171.9 | 4.5 | 116.3 | ||
| 50 | D | 54.9 | Low | 57.7 | Low | 158 Ų | 158 | 116.3 Ų | 116.3 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 19.7 | 176.9 | -61.9 | -45.9 | 0 | 0 | 0 | 113 | G48 V52 | G48-D50 PolarHBondContact O-N 3.28Å; D50-V52 PolarHBondContact O-N 2.8Å |
| 51 | S | 60.5 | Low | 58.4 | Low | 66 Ų | 66 | 110 Ų | 110 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | trans | -77.8 | 110.4 | 179.1 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | G48 T53 | G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.95Å; G48-S51 PolarHBondContact O-OG 2.91Å; G48-S51 VanDerWaalsContact O-OG 3.11Å; S51-T53 PolarHBondContact O-N 3.37Å | ||
| 52 | V | 63.7 | Low | 59.1 | Low | 141 Ų | 141 | 111.7 Ų | 111.7 | 86% | 0.855 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 117.6 | 170.4 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | D50 C54 | D50-V52 PolarHBondContact O-N 2.8Å; V52-C54 PolarHBondContact O-N 2.93Å |
| 53 | T | 62.5 | Low | 60 | Low | 95 Ų | 95 | 110.2 Ų | 110.2 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.1 | 176.1 | 44.3 | 0 | 0 | 0 | 0 | 110.4 | S51 | S51-T53 PolarHBondContact O-N 3.37Š|
| 54 | C | 56 | Low | 60.7 | Low | 57 Ų | 57 | 106.9 Ų | 106.9 | 39% | 0.385 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 124 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | V52 T56 C57 Q58 | V52-C54 PolarHBondContact O-N 2.93Å; C54-T56 PolarHBondContact O-N 3.31Å; C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact O-N 2.04Å; C54-C57 VanDerWaalsContact SG-SG 3.69Å; C54-Q58 WeakPolarHBondContact O-CA 3.3Å; C54-Q58 PolarHBondContact O-N 2.95Å |
| 55 | P | 63.8 | Low | 60.7 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -24.5 | -175.3 | 24.4 | -32.9 | 0 | 0 | 0 | 113.2 | ||
| 56 | T | 62.4 | Low | 60.9 | Low | 52 Ų | 52 | 109.8 Ų | 109.8 | 32% | 0.319 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -37.9 | -176.5 | -39.8 | 0 | 0 | 0 | 0 | 113 | C54 L71 L74 | C54-T56 PolarHBondContact O-N 3.31Å; T56-L71 HydrophobicContact CG2-CD2 3.71Å; T56-L74 HydrophobicContact CG2-CD2 4.05Å |
| 57 | C | 61.8 | Low | 61.1 | Low | 28 Ų | 28 | 106.4 Ų | 106.4 | 19% | 0.189 | 60% | 0.598 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -113.6 | 0.8 | -179.8 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | C54 G59 T60 | C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact O-N 2.04Å; C54-C57 VanDerWaalsContact SG-SG 3.69Å; C57-G59 PolarHBondContact O-N 3.41Å; C57-T60 WeakPolarHBondContact O-CB 3.37Å; C57-T60 PolarHBondContact O-N 3.46Å; C57-T60 PolarHBondContact O-OG1 3.12Å |
| 58 | Q | 65.4 | Low | 60.9 | Low | 154 Ų | 154 | 104.6 Ų | 104.6 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.9 | 29.4 | -176.9 | -61.3 | -178.2 | 4.5 | 0 | 0 | 113.8 | C54 T60 | C54-Q58 WeakPolarHBondContact O-CA 3.3Å; C54-Q58 PolarHBondContact O-N 2.95Å; Q58-T60 VanDerWaalsContact C-N 3.31Å; Q58-T60 PolarHBondContact O-N 2.81Å |
| 59 | G | 67.6 | Low | 60.8 | Low | 33 Ų | 33 | 110.6 Ų | 110.6 | 34% | 0.34 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.5 | -5.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C57 | C57-G59 PolarHBondContact O-N 3.41Š|
| 60 | T | 66.9 | Low | 60.6 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 55% | 0.546 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -85.1 | -6.1 | -176.3 | 67 | 0 | 0 | 0 | 0 | 114.7 | C57 Q58 R62 | C57-T60 WeakPolarHBondContact O-CB 3.37Å; C57-T60 PolarHBondContact O-N 3.46Å; C57-T60 PolarHBondContact O-OG1 3.12Å; Q58-T60 VanDerWaalsContact C-N 3.31Å; Q58-T60 PolarHBondContact O-N 2.81Å; T60-R62 PolarHBondContact O-N 3.17Å; T60-R62 PolarHBondContact OG1-O 3.26Å |
| 61 | G | 62.8 | Low | 60.5 | Low | 57 Ų | 57 | 100.7 Ų | 100.7 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 64.1 | 2.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 62 | R | 63.7 | Low | 60 | Low | 207 Ų | 207 | 103.7 Ų | 103.7 | 78% | 0.781 | 58% | 0.58 | S | S | * | * | trans | -124.6 | 135.4 | -179.8 | -65.4 | -175.8 | 177.9 | 173.1 | 0.4 | 110.1 | T60 | T60-R62 PolarHBondContact O-N 3.17Å; T60-R62 PolarHBondContact OG1-O 3.26Å | ||
| 63 | I | 62 | Low | 59.6 | Low | 79 Ų | 79 | 100.7 Ų | 100.7 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | trans | -97.7 | 128 | 178 | -63.9 | 164.7 | 0 | 0 | 0 | 107.5 | R65 L71 | I63-R65 PolarHBondContact O-N 2.97Å; I63-L71 HydrophobicContact CD1-CD1 4.39Å; I63-L71 HydrophobicContact CG2-CD1 3.47Å; I63-L71 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 64 | P | 65.2 | Low | 59.4 | Low | 85 Ų | 85 | 102.8 Ų | 102.8 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | trans | -59.5 | 132.5 | 178.7 | -21.1 | 30.8 | 0 | 0 | 0 | 112 | G66 Q67 | P64-G66 PolarHBondContact O-N 3.22Å; P64-Q67 PolarHBondContact O-N 3.35Å | ||
| 65 | R | 59.7 | Low | 59.3 | Low | 220 Ų | 220 | 105 Ų | 105 | 83% | 0.83 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 32.8 | -173.8 | -69.9 | -137.7 | 161.5 | -162.6 | 2.3 | 116.3 | I63 E68 | I63-R65 PolarHBondContact O-N 2.97Å; R65-E68 WeakPolarHBondContact CA-OE1 3.08Å; R65-E68 WeakPolarHBondContact CB-OE1 3.37Å; R65-E68 WeakPolarHBondContact CD-OE1 3.35Å; R65-E68 WeakPolarHBondContact CG-OE1 3.36Å; R65-E68 IonicContact NE-OE1 3.52Å |
| 66 | G | 61.2 | Low | 58.4 | Low | 78 Ų | 78 | 103.2 Ų | 103.2 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -4.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P64 | P64-G66 PolarHBondContact O-N 3.22Š|
| 67 | Q | 56.3 | Low | 57.6 | Low | 106 Ų | 106 | 112 Ų | 112 | 50% | 0.495 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -118 | 7.6 | -175.8 | -153.7 | 166.4 | -0.6 | 0 | 0 | 112.9 | P64 N69 Q70 L71 | P64-Q67 PolarHBondContact O-N 3.35Å; Q67-N69 VanDerWaalsContact C-N 3.32Å; Q67-N69 PolarHBondContact O-N 3.46Å; Q67-Q70 PolarHBondContact O-N 3.16Å; Q67-L71 VanDerWaalsContact O-CD1 3.27Å; Q67-L71 WeakPolarHBondContact O-CD1 3.43Å |
| 68 | E | 54.7 | Low | 57.1 | Low | 81 Ų | 81 | 115.7 Ų | 115.7 | 38% | 0.379 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -63.1 | -36.8 | -177.4 | -54.6 | -177.6 | -132.5 | 0 | 0 | 112.2 | R65 Q70 L71 | R65-E68 WeakPolarHBondContact CA-OE1 3.08Å; R65-E68 WeakPolarHBondContact CB-OE1 3.37Å; R65-E68 WeakPolarHBondContact CD-OE1 3.35Å; R65-E68 WeakPolarHBondContact CG-OE1 3.36Å; R65-E68 IonicContact NE-OE1 3.52Å; E68-Q70 PolarHBondContact O-N 2.86Å; E68-Q70 VanDerWaalsContact O-N 3.13Å; E68-L71 PolarHBondContact O-N 3.33Å; E68-L71 VanDerWaalsContact O-N 3.11Å |
| 69 | N | 49.7 | Very low | 56.6 | Low | 168 Ų | 168 | 110.8 Ų | 110.8 | 90% | 0.898 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -71.3 | -7.2 | -178.5 | -60.6 | -14.8 | 0 | 0 | 0 | 113.5 | Q67 | Q67-N69 VanDerWaalsContact C-N 3.32Å; Q67-N69 PolarHBondContact O-N 3.46Å |
| 70 | Q | 51.2 | Low | 55.8 | Low | 144 Ų | 144 | 117.3 Ų | 117.3 | 67% | 0.673 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -107.6 | 1.1 | 176.4 | -159.6 | 174.1 | 5.1 | 0 | 0 | 112.4 | Q67 E68 | Q67-Q70 PolarHBondContact O-N 3.16Å; E68-Q70 PolarHBondContact O-N 2.86Å; E68-Q70 VanDerWaalsContact O-N 3.13Å |
| 71 | L | 53.2 | Low | 55.1 | Low | 61 Ų | 61 | 124 Ų | 124 | 32% | 0.319 | 64% | 0.643 | S | S | . | * | trans | -114.1 | 62.7 | -176.7 | -73 | 152.2 | 0 | 0 | 0 | 110.2 | T56 I63 Q67 E68 L74 | T56-L71 HydrophobicContact CG2-CD2 3.71Å; I63-L71 HydrophobicContact CD1-CD1 4.39Å; I63-L71 HydrophobicContact CG2-CD1 3.47Å; I63-L71 VanDerWaalsContact CG2-CD1 3.47Å; Q67-L71 VanDerWaalsContact O-CD1 3.27Å; Q67-L71 WeakPolarHBondContact O-CD1 3.43Å; E68-L71 PolarHBondContact O-N 3.33Å; E68-L71 VanDerWaalsContact O-N 3.11Å; L71-L74 HydrophobicContact CD2-CD2 4.49Å | ||
| 72 | V | 50.1 | Low | 54.6 | Low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -106.2 | 108.5 | 163 | 179.7 | 0 | 0 | 0 | 0 | 106.4 | ||
| 73 | A | 56.2 | Low | 54 | Low | 78 Ų | 78 | 125 Ų | 125 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 62.1 | 117.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I75 | A73-I75 PolarHBondContact O-N 3.5Š|
| 74 | L | 56.8 | Low | 54 | Low | 138 Ų | 138 | 123.3 Ų | 123.3 | 72% | 0.723 | 63% | 0.631 | S | S | * | * | trans | -68.7 | 69.4 | 170.3 | -79.4 | 148 | 0 | 0 | 0 | 111.2 | T56 L71 | T56-L74 HydrophobicContact CG2-CD2 4.05Å; L71-L74 HydrophobicContact CD2-CD2 4.49Å | ||
| 75 | I | 54.1 | Low | 53.9 | Low | 105 Ų | 105 | 128.6 Ų | 128.6 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | trans | -109.3 | 115.8 | 157.4 | -57.3 | 173.2 | 0 | 0 | 0 | 105 | A73 Y77 L82 | A73-I75 PolarHBondContact O-N 3.5Å; I75-Y77 PolarHBondContact O-N 2.72Å; I75-L82 HydrophobicContact CG2-CD1 3.91Å; I75-L82 HydrophobicContact CG2-CD2 4.28Å | ||
| 76 | P | 45.7 | Very low | 54.4 | Low | 75 Ų | 75 | 126.7 Ų | 126.7 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | trans | -56.8 | 130.8 | -176.7 | 13.5 | -19.5 | 0 | 0 | 0 | 110.2 | S78 D79 | P76-S78 PolarHBondContact O-N 3.12Å; P76-D79 HydrophobicContact CG-CB 3.92Å; P76-D79 WeakPolarHBondContact O-CB 3.34Å; P76-D79 PolarHBondContact O-N 2.87Å | ||
| 77 | Y | 45.4 | Very low | 55.3 | Low | 235 Ų | 235 | 126.7 Ų | 126.7 | 92% | 0.922 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -18.8 | 177.3 | -163.3 | -93.6 | 0 | 0 | 0 | 112.4 | I75 | I75-Y77 PolarHBondContact O-N 2.72Š|
| 78 | S | 51.6 | Low | 56.4 | Low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 27.6 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | P76 Q80 | P76-S78 PolarHBondContact O-N 3.12Å; S78-Q80 PolarHBondContact O-N 3.04Å; S78-Q80 VanDerWaalsContact O-N 3.08Å |
| 79 | D | 53.6 | Low | 57.8 | Low | 51 Ų | 51 | 129.7 Ų | 129.7 | 27% | 0.273 | 63% | 0.632 | S | S | . | * | trans | -63.9 | 112.4 | 173.8 | -162.2 | -21 | 0 | 0 | 0 | 110.4 | P76 R81 L82 R83 | P76-D79 HydrophobicContact CG-CB 3.92Å; P76-D79 WeakPolarHBondContact O-CB 3.34Å; P76-D79 PolarHBondContact O-N 2.87Å; D79-R81 PolarHBondContact O-N 3Å; D79-R81 WeakPolarHBondContact OD1-CB 3.02Å; D79-R81 PolarHBondContact OD1-N 3.46Å; D79-L82 HydrophobicContact CB-CB 4.33Å; D79-L82 HydrophobicContact CB-CD1 3.98Å; D79-L82 PolarHBondContact O-N 3.09Å; D79-R83 PolarHBondContact O-N 2.94Å | ||
| 80 | Q | 50.8 | Low | 59.6 | Low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -12.5 | 179.7 | -157.1 | 149.3 | -19.7 | 0 | 0 | 112.3 | S78 | S78-Q80 PolarHBondContact O-N 3.04Å; S78-Q80 VanDerWaalsContact O-N 3.08Å |
| 81 | R | 52.7 | Low | 61.5 | Low | 229 Ų | 229 | 126 Ų | 126 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -30.5 | 166.2 | -67.7 | -171.3 | 76.8 | -168.6 | 4.2 | 113.1 | D79 R83 | D79-R81 PolarHBondContact O-N 3Å; D79-R81 WeakPolarHBondContact OD1-CB 3.02Å; D79-R81 PolarHBondContact OD1-N 3.46Å; R81-R83 VanDerWaalsContact C-N 3.34Å |
| 82 | L | 51.8 | Low | 63.3 | Low | 113 Ų | 113 | 126 Ų | 126 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -12.6 | 176.3 | -94.9 | 82.8 | 0 | 0 | 0 | 113.1 | I75 D79 P84 | I75-L82 HydrophobicContact CG2-CD1 3.91Å; I75-L82 HydrophobicContact CG2-CD2 4.28Å; D79-L82 HydrophobicContact CB-CB 4.33Å; D79-L82 HydrophobicContact CB-CD1 3.98Å; D79-L82 PolarHBondContact O-N 3.09Å; L82-P84 WeakPolarHBondContact O-CD 3.44Å; L82-P84 WeakPolarHBondContact O-CG 3.42Å |
| 83 | R | 51.8 | Low | 65.4 | Low | 171 Ų | 171 | 122.3 Ų | 122.3 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | trans | -82.8 | 89.7 | 174.1 | -163.5 | 175.7 | -172.2 | -177 | 4.2 | 109.1 | D79 R81 R85 | D79-R83 PolarHBondContact O-N 2.94Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R83-R85 PolarHBondContact O-N 3.42Å | ||
| 84 | P | 62.7 | Low | 67.2 | Low | 44 Ų | 44 | 122.3 Ų | 122.3 | 29% | 0.286 | 59% | 0.593 | S | S | . | * | trans | -88.6 | 67.9 | -166.4 | 20 | 2.3 | 0 | 0 | 0 | 106.8 | L82 R86 T87 K88 | L82-P84 WeakPolarHBondContact O-CD 3.44Å; L82-P84 WeakPolarHBondContact O-CG 3.42Å; P84-R86 PolarHBondContact O-N 3.44Å; P84-T87 VanDerWaalsContact CB-CB 3.42Å; P84-T87 WeakPolarHBondContact CB-OG1 3.41Å; P84-T87 PolarHBondContact O-N 3.28Å; P84-K88 HydrophobicContact CG-CG 4.42Å; P84-K88 WeakPolarHBondContact O-CB 3.44Å; P84-K88 WeakPolarHBondContact O-CG 3.32Å; P84-K88 PolarHBondContact O-N 3.18Å | ||
| 85 | R | 62.3 | Low | 69.1 | Low | 197 Ų | 197 | 119.5 Ų | 119.5 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.4 | -33.8 | 178 | -115.9 | -176.6 | 173.1 | 178.3 | -2.3 | 110.5 | R83 | R83-R85 PolarHBondContact O-N 3.42Å |
| 86 | R | 71.5 | Confident | 71.1 | Confident | 179 Ų | 179 | 118.4 Ų | 118.4 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82 | -42.9 | 174.3 | -60.5 | -66.9 | -175.6 | 178.1 | 0.5 | 112.3 | P84 K88 L89 Y90 | P84-R86 PolarHBondContact O-N 3.44Å; R86-K88 PolarHBondContact O-N 2.78Å; R86-L89 WeakPolarHBondContact O-CB 3.28Å; R86-L89 PolarHBondContact O-N 2.97Å; R86-L89 VanDerWaalsContact O-N 3.13Å; R86-Y90 VanDerWaalsContact C-CD2 3.5Å; R86-Y90 HydrophobicContact CB-CD2 4.25Å; R86-Y90 HydrophobicContact CB-CE2 3.8Å; R86-Y90 WeakPolarHBondContact O-CD2 3.35Å; R86-Y90 PolarHBondContact O-N 3.33Å |
| 87 | T | 78.3 | Confident | 73.6 | Confident | 78 Ų | 78 | 119.7 Ų | 119.7 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.4 | -34.6 | 179.6 | -25.5 | 0 | 0 | 0 | 0 | 113 | P84 L89 Y90 V91 | P84-T87 VanDerWaalsContact CB-CB 3.42Å; P84-T87 WeakPolarHBondContact CB-OG1 3.41Å; P84-T87 PolarHBondContact O-N 3.28Å; T87-L89 VanDerWaalsContact C-N 3.31Å; T87-L89 PolarHBondContact O-N 3.12Å; T87-Y90 PolarHBondContact O-N 2.91Å; T87-V91 HydrophobicContact CG2-CG2 4.39Å; T87-V91 WeakPolarHBondContact O-CB 3.41Å; T87-V91 WeakPolarHBondContact O-CG2 3.4Å; T87-V91 PolarHBondContact O-N 2.87Å |
| 88 | K | 79.8 | Confident | 76 | Confident | 154 Ų | 154 | 112 Ų | 112 | 67% | 0.67 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.4 | -41 | 171.6 | -72.2 | -173 | 179.4 | -167.2 | 0 | 111.9 | P84 R86 S92 | P84-K88 HydrophobicContact CG-CG 4.42Å; P84-K88 WeakPolarHBondContact O-CB 3.44Å; P84-K88 WeakPolarHBondContact O-CG 3.32Å; P84-K88 PolarHBondContact O-N 3.18Å; R86-K88 PolarHBondContact O-N 2.78Å; K88-S92 WeakPolarHBondContact O-CB 3.35Å; K88-S92 PolarHBondContact O-N 2.94Å; K88-S92 PolarHBondContact O-OG 2.89Å; K88-S92 VanDerWaalsContact O-OG 3.1Å |
| 89 | L | 84.9 | Confident | 78.2 | Confident | 97 Ų | 97 | 112.3 Ų | 112.3 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.1 | -41.6 | 176.5 | -177.5 | 134.8 | 0 | 0 | 0 | 112.2 | R86 T87 S92 A93 | R86-L89 WeakPolarHBondContact O-CB 3.28Å; R86-L89 PolarHBondContact O-N 2.97Å; R86-L89 VanDerWaalsContact O-N 3.13Å; T87-L89 VanDerWaalsContact C-N 3.31Å; T87-L89 PolarHBondContact O-N 3.12Å; L89-S92 WeakPolarHBondContact CA-OG 3.19Å; L89-S92 PolarHBondContact O-N 3.47Å; L89-S92 PolarHBondContact O-OG 2.82Å; L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.72Å |
| 90 | Y | 88.1 | Confident | 80.3 | Confident | 149 Ų | 149 | 114.8 Ų | 114.8 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.7 | -46.1 | 174.8 | -68.5 | -58.3 | 0 | 0 | 0 | 111.7 | R86 T87 A93 S94 | R86-Y90 VanDerWaalsContact C-CD2 3.5Å; R86-Y90 HydrophobicContact CB-CD2 4.25Å; R86-Y90 HydrophobicContact CB-CE2 3.8Å; R86-Y90 WeakPolarHBondContact O-CD2 3.35Å; R86-Y90 PolarHBondContact O-N 3.33Å; T87-Y90 PolarHBondContact O-N 2.91Å; Y90-A93 PolarHBondContact O-N 2.85Å; Y90-S94 WeakPolarHBondContact O-CB 3.38Å; Y90-S94 PolarHBondContact O-N 2.83Å; Y90-S94 PolarHBondContact O-OG 3.48Å |
| 91 | V | 90.7 | Very high | 82.5 | Confident | 86 Ų | 86 | 111.7 Ų | 111.7 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -45.2 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | T87 A93 S94 V95 | T87-V91 HydrophobicContact CG2-CG2 4.39Å; T87-V91 WeakPolarHBondContact O-CB 3.41Å; T87-V91 WeakPolarHBondContact O-CG2 3.4Å; T87-V91 PolarHBondContact O-N 2.87Å; V91-A93 VanDerWaalsContact C-N 3.35Å; V91-A93 PolarHBondContact O-N 2.85Å; V91-S94 PolarHBondContact O-N 2.91Å; V91-V95 VanDerWaalsContact O-CG2 3.31Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 3.22Å |
| 92 | S | 90.6 | Very high | 84.6 | Confident | 61 Ų | 61 | 103.8 Ų | 103.8 | 43% | 0.427 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.2 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | K88 L89 V95 V96 | K88-S92 WeakPolarHBondContact O-CB 3.35Å; K88-S92 PolarHBondContact O-N 2.94Å; K88-S92 PolarHBondContact O-OG 2.89Å; K88-S92 VanDerWaalsContact O-OG 3.1Å; L89-S92 WeakPolarHBondContact CA-OG 3.19Å; L89-S92 PolarHBondContact O-N 3.47Å; L89-S92 PolarHBondContact O-OG 2.82Å; S92-V95 PolarHBondContact O-N 2.94Å; S92-V96 VanDerWaalsContact O-CG2 3.31Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å; S92-V96 PolarHBondContact O-N 3.16Å |
| 93 | A | 93.8 | Very high | 86.7 | Confident | 52 Ų | 52 | 101.8 Ų | 101.8 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L89 Y90 V91 V96 L97 | L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.72Å; Y90-A93 PolarHBondContact O-N 2.85Å; V91-A93 VanDerWaalsContact C-N 3.35Å; V91-A93 PolarHBondContact O-N 2.85Å; A93-V96 PolarHBondContact O-N 2.79Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.07Å; A93-L97 PolarHBondContact O-N 2.93Å |
| 94 | S | 94.8 | Very high | 88.8 | Confident | 77 Ų | 77 | 97.6 Ų | 97.6 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | Y90 V91 L97 C98 | Y90-S94 WeakPolarHBondContact O-CB 3.38Å; Y90-S94 PolarHBondContact O-N 2.83Å; Y90-S94 PolarHBondContact O-OG 3.48Å; V91-S94 PolarHBondContact O-N 2.91Å; S94-L97 PolarHBondContact O-N 2.93Å; S94-C98 VanDerWaalsContact O-CB 3.31Å; S94-C98 WeakPolarHBondContact O-CB 3.16Å; S94-C98 PolarHBondContact O-N 3.3Å |
| 95 | V | 96.8 | Very high | 90.3 | Very high | 80 Ų | 80 | 97.8 Ų | 97.8 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | V91 S92 C98 L99 | V91-V95 VanDerWaalsContact O-CG2 3.31Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 3.22Å; S92-V95 PolarHBondContact O-N 2.94Å; V95-C98 PolarHBondContact O-N 2.92Å; V95-L99 HydrophobicContact CG1-CD1 4.1Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.93Å |
| 96 | V | 96.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 92.7 Ų | 92.7 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | S92 A93 C98 L99 L100 | S92-V96 VanDerWaalsContact O-CG2 3.31Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å; S92-V96 PolarHBondContact O-N 3.16Å; A93-V96 PolarHBondContact O-N 2.79Å; V96-C98 VanDerWaalsContact C-N 3.33Å; V96-C98 PolarHBondContact O-N 3.25Å; V96-L99 PolarHBondContact O-N 2.85Å; V96-L100 HydrophobicContact CG1-CD1 3.97Å; V96-L100 HydrophobicContact CG1-CG 4.32Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 VanDerWaalsContact O-CG 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.35Å; V96-L100 PolarHBondContact O-N 3.41Å |
| 97 | L | 96.9 | Very high | 92.9 | Very high | 102 Ų | 102 | 89 Ų | 89 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 177.2 | -179.5 | 64.7 | 0 | 0 | 0 | 111.5 | A93 S94 L100 L101 | A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.07Å; A93-L97 PolarHBondContact O-N 2.93Å; S94-L97 PolarHBondContact O-N 2.93Å; L97-L100 PolarHBondContact O-N 2.88Å; L97-L101 HydrophobicContact CD1-CD1 4.4Å; L97-L101 HydrophobicContact CD1-CG 4.41Å; L97-L101 HydrophobicContact CG-CD1 4.19Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 2.96Å; L97-L101 PolarHBondContact O-N 3.19Å |
| 98 | C | 97 | Very high | 93.6 | Very high | 73 Ų | 73 | 89.4 Ų | 89.4 | 49% | 0.493 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 176.6 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | S94 V95 V96 L100 L101 S102 | S94-C98 VanDerWaalsContact O-CB 3.31Å; S94-C98 WeakPolarHBondContact O-CB 3.16Å; S94-C98 PolarHBondContact O-N 3.3Å; V95-C98 PolarHBondContact O-N 2.92Å; V96-C98 VanDerWaalsContact C-N 3.33Å; V96-C98 PolarHBondContact O-N 3.25Å; C98-L100 VanDerWaalsContact C-N 3.3Å; C98-L100 PolarHBondContact O-N 3.05Å; C98-L101 PolarHBondContact O-N 2.88Å; C98-S102 WeakPolarHBondContact O-CB 3.45Å; C98-S102 PolarHBondContact O-N 3.29Å; C98-S102 PolarHBondContact O-OG 2.86Å; C98-S102 VanDerWaalsContact O-OG 3.09Å |
| 99 | L | 97.1 | Very high | 94.1 | Very high | 113 Ų | 113 | 86.9 Ų | 86.9 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59 | -41.7 | 176.9 | -70.8 | 175.3 | 0 | 0 | 0 | 112 | V95 V96 S102 S103 | V95-L99 HydrophobicContact CG1-CD1 4.1Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.93Å; V96-L99 PolarHBondContact O-N 2.85Å; L99-S102 PolarHBondContact O-N 2.9Å; L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.17Å; L99-S103 PolarHBondContact O-N 2.82Å; L99-S103 PolarHBondContact O-OG 3.21Å |
| 100 | L | 97.2 | Very high | 94.4 | Very high | 102 Ų | 102 | 88.9 Ų | 88.9 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 175.6 | -73.2 | 173.4 | 0 | 0 | 0 | 111.1 | V96 L97 C98 S102 S103 L104 | V96-L100 HydrophobicContact CG1-CD1 3.97Å; V96-L100 HydrophobicContact CG1-CG 4.32Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 VanDerWaalsContact O-CG 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.35Å; V96-L100 PolarHBondContact O-N 3.41Å; L97-L100 PolarHBondContact O-N 2.88Å; C98-L100 VanDerWaalsContact C-N 3.3Å; C98-L100 PolarHBondContact O-N 3.05Å; L100-S102 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 2.75Å; L100-L104 WeakPolarHBondContact O-CB 3.48Å; L100-L104 PolarHBondContact O-N 3.2Å |
| 101 | L | 96.9 | Very high | 94.5 | Very high | 106 Ų | 106 | 84.6 Ų | 84.6 | 56% | 0.555 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 178.5 | -68.9 | 174 | 0 | 0 | 0 | 112.2 | L97 C98 L104 A105 | L97-L101 HydrophobicContact CD1-CD1 4.4Å; L97-L101 HydrophobicContact CD1-CG 4.41Å; L97-L101 HydrophobicContact CG-CD1 4.19Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 2.96Å; L97-L101 PolarHBondContact O-N 3.19Å; C98-L101 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 2.76Å; L101-A105 WeakPolarHBondContact O-CB 3.18Å; L101-A105 PolarHBondContact O-N 2.93Å |
| 102 | S | 97 | Very high | 94.6 | Very high | 64 Ų | 64 | 84.9 Ų | 84.9 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | C98 L99 L100 L104 A105 V106 | C98-S102 WeakPolarHBondContact O-CB 3.45Å; C98-S102 PolarHBondContact O-N 3.29Å; C98-S102 PolarHBondContact O-OG 2.86Å; C98-S102 VanDerWaalsContact O-OG 3.09Å; L99-S102 PolarHBondContact O-N 2.9Å; L100-S102 PolarHBondContact O-N 2.87Å; S102-L104 VanDerWaalsContact C-N 3.29Å; S102-L104 PolarHBondContact O-N 2.87Å; S102-A105 PolarHBondContact O-N 2.84Å; S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 2.81Å |
| 103 | S | 95.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 85.4 Ų | 85.4 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 177.2 | 72.9 | 0 | 0 | 0 | 0 | 112 | L99 L100 V106 F107 | L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.17Å; L99-S103 PolarHBondContact O-N 2.82Å; L99-S103 PolarHBondContact O-OG 3.21Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 2.75Å; S103-V106 PolarHBondContact O-N 2.86Å; S103-F107 WeakPolarHBondContact O-CB 3.38Å; S103-F107 PolarHBondContact O-N 3.22Å |
| 104 | L | 95.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 83.6 Ų | 83.6 | 44% | 0.44 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 178.6 | -168.4 | 65.9 | 0 | 0 | 0 | 111.2 | L100 L101 S102 F107 F108 | L100-L104 WeakPolarHBondContact O-CB 3.48Å; L100-L104 PolarHBondContact O-N 3.2Å; L101-L104 PolarHBondContact O-N 2.76Å; S102-L104 VanDerWaalsContact C-N 3.29Å; S102-L104 PolarHBondContact O-N 2.87Å; L104-F107 PolarHBondContact O-N 2.87Å; L104-F108 HydrophobicContact CD1-CD2 3.85Å; L104-F108 HydrophobicContact CD1-CE2 3.23Å; L104-F108 HydrophobicContact CD1-CZ 3.94Å; L104-F108 HydrophobicContact CD2-CE2 4Å; L104-F108 HydrophobicContact CG-CD2 3.69Å; L104-F108 HydrophobicContact CG-CE2 3.4Å; L104-F108 VanDerWaalsContact CG-CE2 3.4Å; L104-F108 WeakPolarHBondContact O-CD2 3.37Å; L104-F108 PolarHBondContact O-N 2.91Å |
| 105 | A | 94.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 83.4 Ų | 83.4 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L101 S102 F108 L109 | L101-A105 WeakPolarHBondContact O-CB 3.18Å; L101-A105 PolarHBondContact O-N 2.93Å; S102-A105 PolarHBondContact O-N 2.84Å; A105-F108 PolarHBondContact O-N 2.82Å; A105-L109 VanDerWaalsContact O-CB 3.24Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 2.78Å |
| 106 | V | 93.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 80.4 Ų | 80.4 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | S102 S103 F108 L109 F110 | S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 2.81Å; S103-V106 PolarHBondContact O-N 2.86Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.3Å; V106-L109 PolarHBondContact O-N 3.37Å; V106-F110 HydrophobicContact CG1-CB 4.41Å; V106-F110 WeakPolarHBondContact O-CA 3.44Å; V106-F110 WeakPolarHBondContact O-CB 3.37Å; V106-F110 PolarHBondContact O-N 3.18Å |
| 107 | F | 93.8 | Very high | 94 | Very high | 103 Ų | 103 | 78.8 Ų | 78.8 | 45% | 0.452 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.2 | -39 | -179.3 | 177.4 | -96.4 | 0 | 0 | 0 | 113.7 | S103 L104 Y150 | S103-F107 WeakPolarHBondContact O-CB 3.38Å; S103-F107 PolarHBondContact O-N 3.22Å; L104-F107 PolarHBondContact O-N 2.87Å; F107-Y150 HydrophobicContact CD1-CE2 4.34Å; F107-Y150 AromaticContact CE1-CE2 3.74Å; F107-Y150 HydrophobicContact CE1-CE2 3.74Å; F107-Y150 AromaticContact CE1-CZ 3.84Å; F107-Y150 HydrophobicContact CZ-CE2 4.14Å |
| 108 | F | 93.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 75 Ų | 75 | 38% | 0.377 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -82.5 | -33.1 | 180 | -73 | -56.5 | 0 | 0 | 0 | 114.1 | L104 A105 V106 Y150 | L104-F108 HydrophobicContact CD1-CD2 3.85Å; L104-F108 HydrophobicContact CD1-CE2 3.23Å; L104-F108 HydrophobicContact CD1-CZ 3.94Å; L104-F108 HydrophobicContact CD2-CE2 4Å; L104-F108 HydrophobicContact CG-CD2 3.69Å; L104-F108 HydrophobicContact CG-CE2 3.4Å; L104-F108 VanDerWaalsContact CG-CE2 3.4Å; L104-F108 WeakPolarHBondContact O-CD2 3.37Å; L104-F108 PolarHBondContact O-N 2.91Å; A105-F108 PolarHBondContact O-N 2.82Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.3Å; F108-Y150 HydrophobicContact CD1-CD1 4.05Å; F108-Y150 AromaticContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CE1 4.48Å; F108-Y150 HydrophobicContact CD1-CE2 4.2Å; F108-Y150 AromaticContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CE1-CD1 4.15Å; F108-Y150 HydrophobicContact CE1-CD2 4.47Å; F108-Y150 HydrophobicContact CE1-CE1 4.3Å; F108-Y150 HydrophobicContact CE1-CG 4.24Å |
| 109 | L | 91.1 | Very high | 93.4 | Very high | 100 Ų | 100 | 75.8 Ų | 75.8 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -94.6 | -19.4 | -175.6 | -62.5 | 175.5 | 0 | 0 | 0 | 113.4 | A105 V106 F230 | A105-L109 VanDerWaalsContact O-CB 3.24Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 2.78Å; V106-L109 PolarHBondContact O-N 3.37Å; L109-F230 HydrophobicContact CD2-CE2 4.21Å; L109-F230 HydrophobicContact CD2-CZ 3.8Å |
| 110 | F | 91.4 | Very high | 92.8 | Very high | 139 Ų | 139 | 71.3 Ų | 71.3 | 61% | 0.61 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -63.6 | 126.1 | 178.6 | -166.7 | -95.2 | 0 | 0 | 0 | 109.7 | V106 R112 | V106-F110 HydrophobicContact CG1-CB 4.41Å; V106-F110 WeakPolarHBondContact O-CA 3.44Å; V106-F110 WeakPolarHBondContact O-CB 3.37Å; V106-F110 PolarHBondContact O-N 3.18Å; F110-R112 PolarHBondContact O-N 3.45Å |
| 111 | P | 90.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 126.3 | -174.3 | 26 | -33.4 | 0 | 0 | 0 | 110.7 | Y151 Y229 | P111-Y151 WeakPolarHBondContact CA-OH 3.5Å; P111-Y229 HydrophobicContact CB-CE2 4.08Å |
| 112 | R | 91.8 | Very high | 92.2 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 34% | 0.343 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 159.4 | 168.2 | -68.9 | -174.2 | 173.6 | -174.4 | 2.7 | 109.6 | F110 N148 N149 Y150 | F110-R112 PolarHBondContact O-N 3.45Å; R112-N148 HydrophobicContact CB-CB 4.41Å; R112-N148 VanDerWaalsContact CD-O 3.25Å; R112-N148 WeakPolarHBondContact CD-O 3.41Å; R112-N149 PolarHBondContact N-OD1 2.77Å; R112-N149 PolarHBondContact O-ND2 2.9Å; R112-N149 PolarHBondContact O-OD1 3.13Å; R112-Y150 PolarHBondContact NH1-OH 2.92Å; R112-Y150 PolarHBondContact NH2-OH 2.79Å; R112-Y150 VanDerWaalsContact NH2-OH 3.14Å |
| 113 | S | 89.1 | Confident | 92 | Very high | 73 Ų | 73 | 65.1 Ų | 65.1 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 145.7 | 178.9 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | D115 N148 | S113-D115 PolarHBondContact OG-OD1 3.08Å; S113-D115 VanDerWaalsContact OG-OD1 3.11Å; S113-N148 WeakPolarHBondContact O-CB 3.49Å |
| 114 | I | 93 | Very high | 91.9 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118 | 166.7 | -61.4 | 158 | 0 | 0 | 0 | 105.5 | I145 V153 A227 Y229 I236 | I114-I145 HydrophobicContact CG2-CG2 3.89Å; I114-V153 HydrophobicContact CD1-CG1 3.86Å; I114-V153 HydrophobicContact CD1-CG2 4.31Å; I114-A227 HydrophobicContact CD1-CB 3.68Å; I114-Y229 HydrophobicContact CD1-CD1 4.49Å; I114-Y229 HydrophobicContact CD1-CE1 4.31Å; I114-I236 HydrophobicContact CB-CD1 3.67Å; I114-I236 HydrophobicContact CD1-CD1 4.22Å; I114-I236 HydrophobicContact CG2-CD1 4.06Å |
| 115 | D | 93.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.1 | -175.1 | -57.6 | -28.9 | 0 | 0 | 0 | 109.3 | S113 T146 N148 | S113-D115 PolarHBondContact OG-OD1 3.08Å; S113-D115 VanDerWaalsContact OG-OD1 3.11Å; D115-T146 PolarHBondContact N-O 3.03Å; D115-T146 PolarHBondContact O-N 3.24Å; D115-N148 PolarHBondContact OD2-ND2 2.87Å |
| 116 | V | 93.3 | Very high | 91.8 | Very high | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.9 | 178.6 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | L143 I225 I236 E238 | V116-L143 HydrophobicContact CG1-CD1 4.11Å; V116-L143 HydrophobicContact CG1-CD2 4.09Å; V116-L143 HydrophobicContact CG1-CG 4.23Å; V116-I225 HydrophobicContact CB-CD1 4.28Å; V116-I225 HydrophobicContact CG1-CD1 3.47Å; V116-I225 VanDerWaalsContact CG1-CD1 3.47Å; V116-I225 HydrophobicContact CG2-CD1 3.75Å; V116-I236 HydrophobicContact CB-CG2 4.18Å; V116-I236 HydrophobicContact CG2-CB 4.34Å; V116-I236 HydrophobicContact CG2-CG2 3.76Å; V116-E238 HydrophobicContact CG1-CB 4.22Å |
| 117 | S | 92.6 | Very high | 91.8 | Very high | 48 Ų | 48 | 60.7 Ų | 60.7 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.4 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | N144 | S117-N144 PolarHBondContact N-O 2.95Å; S117-N144 PolarHBondContact O-N 3.03Å; S117-N144 PolarHBondContact OG-O 2.89Å |
| 118 | N | 90.4 | Very high | 91.7 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.8 | 173.7 | -160.9 | -30.7 | 0 | 0 | 0 | 109.4 | G120 T142 Y190 M240 | N118-G120 VanDerWaalsContact C-N 3.29Å; N118-G120 WeakPolarHBondContact OD1-CA 3.24Å; N118-G120 PolarHBondContact OD1-N 3.12Å; N118-T142 PolarHBondContact OD1-O 3.3Å; N118-Y190 PolarHBondContact ND2-OH 2.74Å; N118-M240 HydrophobicContact CB-CB 4.27Å; N118-M240 HydrophobicContact CB-CG 4.46Å |
| 119 | V | 89.1 | Confident | 91.7 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -25.8 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | T142 N144 | V119-T142 HydrophobicContact CB-CG2 4.32Å; V119-T142 WeakPolarHBondContact CB-O 3.46Å; V119-T142 HydrophobicContact CG2-CG2 4.21Å; V119-T142 PolarHBondContact N-O 2.83Å; V119-N144 HydrophobicContact CG2-CB 3.7Å |
| 120 | G | 86 | Confident | 91.7 | Very high | 19 Ų | 19 | 58.9 Ų | 58.9 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.2 | -168.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N118 K122 N141 T142 | N118-G120 VanDerWaalsContact C-N 3.29Å; N118-G120 WeakPolarHBondContact OD1-CA 3.24Å; N118-G120 PolarHBondContact OD1-N 3.12Å; G120-K122 PolarHBondContact O-N 2.97Å; G120-N141 WeakPolarHBondContact O-CA 3.3Å; G120-T142 PolarHBondContact O-N 2.84Å; G120-T142 VanDerWaalsContact O-N 3.08Å |
| 121 | V | 90.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.9 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | V124 I139 N141 Q242 | V121-V124 HydrophobicContact CG1-CG2 3.51Å; V121-I139 HydrophobicContact CG1-CG2 4.32Å; V121-N141 WeakPolarHBondContact CA-OD1 3.16Å; V121-Q242 HydrophobicContact CG2-CB 4.05Å; V121-Q242 HydrophobicContact CG2-CG 3.97Å |
| 122 | K | 90.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 62.3 Ų | 62.3 | 44% | 0.443 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -48.7 | 172.3 | -172.6 | 177.8 | -174.9 | -179.7 | 0 | 111.2 | G120 T140 D189 T251 | G120-K122 PolarHBondContact O-N 2.97Å; K122-T140 WeakPolarHBondContact CA-O 3.38Å; K122-T140 HydrophobicContact CB-CG2 4.32Å; K122-T140 WeakPolarHBondContact CB-O 3.44Å; K122-T140 HydrophobicContact CD-CG2 4.39Å; K122-T140 PolarHBondContact N-O 2.84Å; K122-D189 IonicContact NZ-OD1 2.58Å; K122-D189 IonicContact NZ-OD2 3.64Å; K122-D189 PolarHBondContact NZ-OD2 3.02Å; K122-T251 CarbonylContact O-C 3.57Å |
| 123 | S | 92.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 155.3 | 179.2 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | T140 | S123-T140 PolarHBondContact N-O 3.47Å; S123-T140 PolarHBondContact O-N 2.83Å; S123-T140 WeakPolarHBondContact OG-CB 3.39Å |
| 124 | V | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.1 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 108.6 | V121 V126 L137 N138 I139 V244 T250 | V121-V124 HydrophobicContact CG1-CG2 3.51Å; V124-V126 HydrophobicContact CG1-CG2 4.11Å; V124-L137 HydrophobicContact CG1-CB 4.26Å; V124-N138 WeakPolarHBondContact CA-O 3.47Å; V124-I139 HydrophobicContact CG1-CG1 4.35Å; V124-V244 HydrophobicContact CB-CG1 4.13Å; V124-V244 HydrophobicContact CG1-CG1 3.67Å; V124-V244 HydrophobicContact CG2-CG1 3.36Å; V124-T250 HydrophobicContact CB-CG2 3.87Å; V124-T250 HydrophobicContact CG2-CG2 4.02Å; V124-T250 PolarHBondContact N-O 2.84Å; V124-T250 PolarHBondContact O-N 3.39Å |
| 125 | Y | 94.2 | Very high | 92.1 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.7 | 169.4 | -65 | -84.2 | 0 | 0 | 0 | 109.6 | L137 N138 | Y125-L137 CarbonylContact O-C 3.58Å; Y125-L137 VanDerWaalsContact O-CA 3.3Å; Y125-L137 WeakPolarHBondContact O-CA 3.5Å; Y125-N138 PolarHBondContact N-O 2.83Å; Y125-N138 VanDerWaalsContact N-O 3.12Å; Y125-N138 PolarHBondContact O-N 2.8Å |
| 126 | V | 93.9 | Very high | 92.2 | Very high | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.3 | -174.1 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | V124 Y128 V135 Y136 L137 C246 G248 N249 | V124-V126 HydrophobicContact CG1-CG2 4.11Å; V126-Y128 HydrophobicContact CG1-CE1 3.8Å; V126-Y128 HydrophobicContact CG1-CE2 3.79Å; V126-Y128 WeakPolarHBondContact CG1-OH 3.25Å; V126-V135 HydrophobicContact CG1-CG1 4.24Å; V126-Y136 WeakPolarHBondContact CA-O 3.41Å; V126-L137 HydrophobicContact CB-CD2 4.12Å; V126-L137 HydrophobicContact CG1-CD2 3.81Å; V126-L137 HydrophobicContact CG2-CD2 3.65Å; V126-C246 WeakPolarHBondContact CG1-O 3.36Å; V126-G248 WeakPolarHBondContact CG2-O 3.44Å; V126-N249 PolarHBondContact N-OD1 2.81Å; V126-N249 PolarHBondContact O-OD1 3.28Å |
| 127 | S | 93.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 154.1 | 169 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | Y136 | S127-Y136 PolarHBondContact N-O 3.11Å; S127-Y136 PolarHBondContact O-N 2.82Å; S127-Y136 WeakPolarHBondContact OG-CB 3.33Å |
| 128 | Y | 93.3 | Very high | 92.4 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146.4 | -171.5 | -55.7 | -77.8 | 0 | 0 | 0 | 111.3 | V126 V135 Y204 C207 T208 C246 G247 | V126-Y128 HydrophobicContact CG1-CE1 3.8Å; V126-Y128 HydrophobicContact CG1-CE2 3.79Å; V126-Y128 WeakPolarHBondContact CG1-OH 3.25Å; Y128-V135 HydrophobicContact CD1-CB 4.4Å; Y128-V135 HydrophobicContact CD1-CG1 4.02Å; Y128-V135 HydrophobicContact CD1-CG2 4.02Å; Y128-V135 HydrophobicContact CE1-CG1 3.8Å; Y128-V135 HydrophobicContact CE1-CG2 4.16Å; Y128-Y204 HydrophobicContact CD1-CE2 4.36Å; Y128-C207 HydrophobicContact CE1-CB 4.07Å; Y128-C207 PolarHBondContact OH-O 3.37Å; Y128-T208 HydrophobicContact CD1-CG2 3.76Å; Y128-T208 HydrophobicContact CE1-CG2 3.8Å; Y128-T208 HydrophobicContact CG-CG2 4.23Å; Y128-C246 PolarHBondContact OH-O 2.76Å; Y128-G247 WeakPolarHBondContact OH-CA 3.45Å; Y128-G247 PolarHBondContact OH-O 3.35Å |
| 129 | D | 93.3 | Very high | 92.6 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.7 | 165.3 | -170.3 | -31.4 | 0 | 0 | 0 | 109.2 | D131 Q132 H133 I134 Y136 Y204 | D129-D131 PolarHBondContact OD1-N 3.31Å; D129-Q132 PolarHBondContact OD1-N 2.84Å; D129-Q132 VanDerWaalsContact OD1-N 3.16Å; D129-H133 WeakPolarHBondContact O-CA 3.47Å; D129-H133 PolarHBondContact O-N 3.14Å; D129-I134 HydrophobicContact CB-CB 4.21Å; D129-I134 PolarHBondContact N-O 2.76Å; D129-I134 PolarHBondContact O-N 2.63Å; D129-Y136 HydrophobicContact CB-CE2 4.1Å; D129-Y204 WeakPolarHBondContact O-CE2 3.27Å |
| 130 | L | 89.7 | Confident | 92.8 | Very high | 129 Ų | 129 | 54.3 Ų | 54.3 | 68% | 0.675 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -32.9 | -178.6 | -75.8 | 130 | 0 | 0 | 0 | 112.6 | H133 Y204 | L130-H133 PolarHBondContact O-ND1 3.28Å; L130-Y204 WeakPolarHBondContact CD2-OH 3.3Å; L130-Y204 WeakPolarHBondContact CG-OH 3.48Å |
| 131 | D | 90.8 | Very high | 93.1 | Very high | 154 Ų | 154 | 53.4 Ų | 53.4 | 82% | 0.824 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -40.2 | -174.6 | -66.2 | -30.8 | 0 | 0 | 0 | 110 | D129 | D129-D131 PolarHBondContact OD1-N 3.31Š|
| 132 | Q | 91.1 | Very high | 93.2 | Very high | 117 Ų | 117 | 53 Ų | 53 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.6 | -176.6 | -57.1 | -161.6 | -37.6 | 0 | 0 | 114.4 | D129 I134 | D129-Q132 PolarHBondContact OD1-N 2.84Å; D129-Q132 VanDerWaalsContact OD1-N 3.16Å; Q132-I134 VanDerWaalsContact C-N 3.31Å; Q132-I134 HydrophobicContact CB-CD1 3.63Å; Q132-I134 HydrophobicContact CB-CG1 3.76Å; Q132-I134 PolarHBondContact O-N 2.58Å |
| 133 | H | 93.3 | Very high | 93.3 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 38% | 0.384 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 45.1 | -173.8 | -65.3 | 61.9 | 0 | 0 | 0 | 112.2 | D129 L130 Y204 | D129-H133 WeakPolarHBondContact O-CA 3.47Å; D129-H133 PolarHBondContact O-N 3.14Å; L130-H133 PolarHBondContact O-ND1 3.28Å; H133-Y204 VanDerWaalsContact C-CD2 3.45Å; H133-Y204 HydrophobicContact CB-CD1 3.99Å; H133-Y204 HydrophobicContact CB-CD2 4.26Å; H133-Y204 HydrophobicContact CB-CG 3.8Å; H133-Y204 AromaticContact CD2-CD1 3.41Å; H133-Y204 VanDerWaalsContact CD2-CD1 3.41Å; H133-Y204 WeakPolarHBondContact CD2-CD1 3.36Å; H133-Y204 AromaticContact CD2-CE1 3.73Å; H133-Y204 AromaticContact CG-CD1 3.92Å; H133-Y204 WeakPolarHBondContact O-CB 3.36Å |
| 134 | I | 94.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.7 | -178.4 | -61.6 | 176.1 | 0 | 0 | 0 | 109.9 | D129 Q132 Y136 V195 | D129-I134 HydrophobicContact CB-CB 4.21Å; D129-I134 PolarHBondContact N-O 2.76Å; D129-I134 PolarHBondContact O-N 2.63Å; Q132-I134 VanDerWaalsContact C-N 3.31Å; Q132-I134 HydrophobicContact CB-CD1 3.63Å; Q132-I134 HydrophobicContact CB-CG1 3.76Å; Q132-I134 PolarHBondContact O-N 2.58Å; I134-Y136 HydrophobicContact CB-CE2 4.34Å; I134-Y136 HydrophobicContact CG2-CD1 4.42Å; I134-Y136 HydrophobicContact CG2-CD2 4.26Å; I134-Y136 HydrophobicContact CG2-CE1 3.99Å; I134-Y136 HydrophobicContact CG2-CE2 3.84Å; I134-V195 HydrophobicContact CG2-CG1 3.51Å |
| 135 | V | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.4 | 172.1 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | V126 Y128 L137 I196 Y204 C207 | V126-V135 HydrophobicContact CG1-CG1 4.24Å; Y128-V135 HydrophobicContact CD1-CB 4.4Å; Y128-V135 HydrophobicContact CD1-CG1 4.02Å; Y128-V135 HydrophobicContact CD1-CG2 4.02Å; Y128-V135 HydrophobicContact CE1-CG1 3.8Å; Y128-V135 HydrophobicContact CE1-CG2 4.16Å; V135-L137 HydrophobicContact CG1-CD2 3.77Å; V135-L137 HydrophobicContact CG1-CG 4.21Å; V135-I196 HydrophobicContact CB-CB 4.26Å; V135-I196 PolarHBondContact N-O 3.3Å; V135-I196 PolarHBondContact O-N 3Å; V135-Y204 HydrophobicContact CG2-CD2 4.07Å; V135-C207 HydrophobicContact CG2-CB 4.15Å |
| 136 | Y | 95.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.2 | 173.9 | -61.8 | -80.1 | 0 | 0 | 0 | 109.4 | V126 S127 D129 I134 T194 V195 | V126-Y136 WeakPolarHBondContact CA-O 3.41Å; S127-Y136 PolarHBondContact N-O 3.11Å; S127-Y136 PolarHBondContact O-N 2.82Å; S127-Y136 WeakPolarHBondContact OG-CB 3.33Å; D129-Y136 HydrophobicContact CB-CE2 4.1Å; I134-Y136 HydrophobicContact CB-CE2 4.34Å; I134-Y136 HydrophobicContact CG2-CD1 4.42Å; I134-Y136 HydrophobicContact CG2-CD2 4.26Å; I134-Y136 HydrophobicContact CG2-CE1 3.99Å; I134-Y136 HydrophobicContact CG2-CE2 3.84Å; Y136-T194 WeakPolarHBondContact CA-O 3.37Å; Y136-V195 HydrophobicContact CD1-CB 4.44Å; Y136-V195 HydrophobicContact CD1-CG1 4.1Å; Y136-V195 HydrophobicContact CD1-CG2 3.86Å; Y136-V195 HydrophobicContact CE1-CG1 3.83Å; Y136-V195 HydrophobicContact CE1-CG2 3.96Å |
| 137 | L | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.9 | 174.4 | -38.1 | 161.8 | 0 | 0 | 0 | 110.2 | V124 Y125 V126 V135 I139 T194 I196 I217 C246 | V124-L137 HydrophobicContact CG1-CB 4.26Å; Y125-L137 CarbonylContact O-C 3.58Å; Y125-L137 VanDerWaalsContact O-CA 3.3Å; Y125-L137 WeakPolarHBondContact O-CA 3.5Å; V126-L137 HydrophobicContact CB-CD2 4.12Å; V126-L137 HydrophobicContact CG1-CD2 3.81Å; V126-L137 HydrophobicContact CG2-CD2 3.65Å; V135-L137 HydrophobicContact CG1-CD2 3.77Å; V135-L137 HydrophobicContact CG1-CG 4.21Å; L137-I139 HydrophobicContact CB-CG1 4.15Å; L137-T194 VanDerWaalsContact CB-OG1 3.24Å; L137-T194 WeakPolarHBondContact CB-OG1 3.41Å; L137-T194 PolarHBondContact N-O 2.82Å; L137-T194 WeakPolarHBondContact O-CA 3.46Å; L137-T194 WeakPolarHBondContact O-CB 3.41Å; L137-T194 PolarHBondContact O-N 2.95Å; L137-T194 PolarHBondContact O-OG1 2.9Å; L137-I196 HydrophobicContact CD1-CD1 3.63Å; L137-I196 HydrophobicContact CD1-CG1 4.42Å; L137-I217 HydrophobicContact CD1-CD1 4Å; L137-C246 HydrophobicContact CD1-CB 4.28Å; L137-C246 HydrophobicContact CD2-CB 3.98Å |
| 138 | N | 95.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 43 Ų | 43 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 98.7 | 168.7 | -69.9 | -24.5 | 0 | 0 | 0 | 108.8 | V124 Y125 M191 P193 | V124-N138 WeakPolarHBondContact CA-O 3.47Å; Y125-N138 PolarHBondContact N-O 2.83Å; Y125-N138 VanDerWaalsContact N-O 3.12Å; Y125-N138 PolarHBondContact O-N 2.8Å; N138-M191 HydrophobicContact CB-CG 4.3Å; N138-M191 HydrophobicContact CB-SD 4.01Å; N138-P193 WeakPolarHBondContact OD1-CA 3.47Å |
| 139 | I | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.2 | -176.3 | -53.2 | 175.2 | 0 | 0 | 0 | 108.1 | V121 V124 L137 V162 M191 V192 T194 V219 V244 | V121-I139 HydrophobicContact CG1-CG2 4.32Å; V124-I139 HydrophobicContact CG1-CG1 4.35Å; L137-I139 HydrophobicContact CB-CG1 4.15Å; I139-V162 HydrophobicContact CD1-CG1 4.15Å; I139-M191 CarbonylContact O-C 3.56Å; I139-M191 WeakPolarHBondContact O-CA 3.34Å; I139-V192 PolarHBondContact N-O 3.48Å; I139-V192 PolarHBondContact O-N 2.79Å; I139-T194 HydrophobicContact CD1-CG2 3.9Å; I139-T194 HydrophobicContact CG1-CG2 4.3Å; I139-V219 HydrophobicContact CD1-CG2 4.43Å; I139-V244 HydrophobicContact CD1-CG1 3.94Å; I139-V244 HydrophobicContact CD1-CG2 4.24Å; I139-V244 HydrophobicContact CG1-CG1 4.05Å |
| 140 | T | 94.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.4 | 173.8 | -52.6 | 0 | 0 | 0 | 0 | 109 | K122 S123 D189 Y190 | K122-T140 WeakPolarHBondContact CA-O 3.38Å; K122-T140 HydrophobicContact CB-CG2 4.32Å; K122-T140 WeakPolarHBondContact CB-O 3.44Å; K122-T140 HydrophobicContact CD-CG2 4.39Å; K122-T140 PolarHBondContact N-O 2.84Å; S123-T140 PolarHBondContact N-O 3.47Å; S123-T140 PolarHBondContact O-N 2.83Å; S123-T140 WeakPolarHBondContact OG-CB 3.39Å; T140-D189 HydrophobicContact CG2-CB 4.36Å; T140-Y190 WeakPolarHBondContact CA-O 3.47Å |
| 141 | N | 92.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.2 | 178.2 | -60.1 | -51.5 | 0 | 0 | 0 | 110.4 | G120 V121 D189 Y190 Q242 | G120-N141 WeakPolarHBondContact O-CA 3.3Å; V121-N141 WeakPolarHBondContact CA-OD1 3.16Å; N141-D189 WeakPolarHBondContact O-CA 3.41Å; N141-Y190 HydrophobicContact CB-CD1 4.33Å; N141-Y190 HydrophobicContact CB-CE1 3.65Å; N141-Y190 HydrophobicContact CB-CE2 3.99Å; N141-Y190 VanDerWaalsContact CB-CZ 3.46Å; N141-Y190 WeakPolarHBondContact CB-OH 3.48Å; N141-Y190 PolarHBondContact N-O 2.95Å; N141-Y190 PolarHBondContact O-N 2.79Å; N141-Q242 PolarHBondContact ND2-NE2 3.47Å; N141-Q242 PolarHBondContact OD1-NE2 2.88Å; N141-Q242 PolarHBondContact OD1-OE1 2.81Å |
| 142 | T | 93.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 10% | 0.104 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.8 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | N118 V119 G120 Q187 D189 | N118-T142 PolarHBondContact OD1-O 3.3Å; V119-T142 HydrophobicContact CB-CG2 4.32Å; V119-T142 WeakPolarHBondContact CB-O 3.46Å; V119-T142 HydrophobicContact CG2-CG2 4.21Å; V119-T142 PolarHBondContact N-O 2.83Å; G120-T142 PolarHBondContact O-N 2.84Å; G120-T142 VanDerWaalsContact O-N 3.08Å; T142-Q187 HydrophobicContact CG2-CB 4.21Å; T142-Q187 HydrophobicContact CG2-CG 4.49Å; T142-D189 WeakPolarHBondContact CB-OD1 3.38Å; T142-D189 WeakPolarHBondContact CG2-OD1 3.48Å; T142-D189 PolarHBondContact OG1-OD1 2.85Å |
| 143 | L | 92.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.1 | 177.1 | -160.3 | 94.6 | 0 | 0 | 0 | 110 | V116 I145 Q187 I188 Y190 V223 I225 | V116-L143 HydrophobicContact CG1-CD1 4.11Å; V116-L143 HydrophobicContact CG1-CD2 4.09Å; V116-L143 HydrophobicContact CG1-CG 4.23Å; L143-I145 HydrophobicContact CD2-CD1 3.68Å; L143-I145 HydrophobicContact CD2-CG1 3.49Å; L143-I145 VanDerWaalsContact CD2-CG1 3.49Å; L143-I145 HydrophobicContact CG-CG1 4.39Å; L143-Q187 CarbonylContact O-C 3.58Å; L143-Q187 VanDerWaalsContact O-CA 3.26Å; L143-Q187 WeakPolarHBondContact O-CA 3.22Å; L143-I188 WeakPolarHBondContact CB-O 3.21Å; L143-I188 PolarHBondContact N-O 2.99Å; L143-I188 PolarHBondContact O-N 2.81Å; L143-Y190 HydrophobicContact CB-CD1 3.98Å; L143-Y190 HydrophobicContact CB-CE1 3.84Å; L143-Y190 HydrophobicContact CD1-CE1 3.84Å; L143-Y190 HydrophobicContact CG-CE1 4.46Å; L143-V223 HydrophobicContact CD1-CB 4.29Å; L143-V223 HydrophobicContact CD1-CG1 3.98Å; L143-V223 HydrophobicContact CD1-CG2 4.23Å; L143-I225 HydrophobicContact CD2-CD1 3.18Å; L143-I225 HydrophobicContact CD2-CG1 4.31Å; L143-I225 HydrophobicContact CG-CD1 4.39Å |
| 144 | N | 94.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.6 | 176.2 | -171.6 | 25.1 | 0 | 0 | 0 | 110.4 | S117 V119 M185 Q187 | S117-N144 PolarHBondContact N-O 2.95Å; S117-N144 PolarHBondContact O-N 3.03Å; S117-N144 PolarHBondContact OG-O 2.89Å; V119-N144 HydrophobicContact CG2-CB 3.7Å; N144-M185 PolarHBondContact ND2-SD 2.82Å; N144-M185 WeakPolarHBondContact OD1-CG 3.4Å; N144-M185 PolarHBondContact OD1-SD 3.14Å; N144-Q187 HydrophobicContact CB-CG 4.31Å |
| 145 | I | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.9 | -178.9 | -50.7 | 178.7 | 0 | 0 | 0 | 108.8 | I114 L143 V155 I180 M185 K186 I188 I225 | I114-I145 HydrophobicContact CG2-CG2 3.89Å; L143-I145 HydrophobicContact CD2-CD1 3.68Å; L143-I145 HydrophobicContact CD2-CG1 3.49Å; L143-I145 VanDerWaalsContact CD2-CG1 3.49Å; L143-I145 HydrophobicContact CG-CG1 4.39Å; I145-V155 HydrophobicContact CD1-CG1 4.25Å; I145-V155 HydrophobicContact CD1-CG2 4.47Å; I145-I180 HydrophobicContact CB-CD1 3.81Å; I145-I180 HydrophobicContact CD1-CD1 4.5Å; I145-I180 HydrophobicContact CG2-CD1 3.44Å; I145-I180 VanDerWaalsContact CG2-CD1 3.44Å; I145-M185 CarbonylContact O-C 3.21Å; I145-M185 WeakPolarHBondContact O-CA 3.04Å; I145-K186 PolarHBondContact N-O 3.19Å; I145-K186 PolarHBondContact O-N 3.49Å; I145-I188 HydrophobicContact CD1-CD1 3.76Å; I145-I225 HydrophobicContact CD1-CD1 3.91Å; I145-I225 HydrophobicContact CG1-CD1 4.22Å |
| 146 | T | 95.1 | Very high | 93.5 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.3 | 179.6 | -51.5 | 0 | 0 | 0 | 0 | 110.1 | D115 M185 | D115-T146 PolarHBondContact N-O 3.03Å; D115-T146 PolarHBondContact O-N 3.24Å; T146-M185 HydrophobicContact CG2-CB 4.35Å |
| 147 | N | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 106 | 175.2 | 179.3 | 22.7 | 0 | 0 | 0 | 110.1 | N149 Y151 I180 N181 L183 N184 | N147-N149 VanDerWaalsContact C-N 3.28Å; N147-N149 PolarHBondContact O-N 2.96Å; N147-N149 WeakPolarHBondContact OD1-CB 3.39Å; N147-N149 PolarHBondContact OD1-N 2.85Å; N147-N149 PolarHBondContact OD1-ND2 3.37Å; N147-N149 VanDerWaalsContact OD1-ND2 3.12Å; N147-Y151 PolarHBondContact ND2-O 3.12Å; N147-I180 HydrophobicContact CB-CB 4.3Å; N147-I180 HydrophobicContact CB-CG2 3.67Å; N147-N181 PolarHBondContact ND2-O 2.93Å; N147-N181 VanDerWaalsContact ND2-O 3.07Å; N147-L183 CarbonylContact O-C 3.55Å; N147-L183 WeakPolarHBondContact O-CA 3.36Å; N147-L183 PolarHBondContact O-N 3.36Å; N147-N184 PolarHBondContact N-O 2.92Å; N147-N184 PolarHBondContact O-N 3.17Å |
| 148 | N | 94.4 | Very high | 93.2 | Very high | 47 Ų | 47 | 25 Ų | 25 | 25% | 0.251 | 13% | 0.134 | S | C | . | . | trans | -86.3 | 3.3 | 176.4 | -61.4 | -35.6 | 0 | 0 | 0 | 113.5 | R112 S113 D115 L183 | R112-N148 HydrophobicContact CB-CB 4.41Å; R112-N148 VanDerWaalsContact CD-O 3.25Å; R112-N148 WeakPolarHBondContact CD-O 3.41Å; S113-N148 WeakPolarHBondContact O-CB 3.49Å; D115-N148 PolarHBondContact OD2-ND2 2.87Å; N148-L183 WeakPolarHBondContact O-CD2 3.43Å | ||
| 149 | N | 94.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -78.8 | 156.6 | 176.9 | -66.3 | -79.3 | 0 | 0 | 0 | 112.2 | R112 N147 Y151 P182 L183 | R112-N149 PolarHBondContact N-OD1 2.77Å; R112-N149 PolarHBondContact O-ND2 2.9Å; R112-N149 PolarHBondContact O-OD1 3.13Å; N147-N149 VanDerWaalsContact C-N 3.28Å; N147-N149 PolarHBondContact O-N 2.96Å; N147-N149 WeakPolarHBondContact OD1-CB 3.39Å; N147-N149 PolarHBondContact OD1-N 2.85Å; N147-N149 PolarHBondContact OD1-ND2 3.37Å; N147-N149 VanDerWaalsContact OD1-ND2 3.12Å; N149-Y151 HydrophobicContact CB-CD1 4.07Å; N149-Y151 HydrophobicContact CB-CD2 4.1Å; N149-Y151 HydrophobicContact CB-CE1 3.86Å; N149-Y151 HydrophobicContact CB-CE2 3.88Å; N149-Y151 HydrophobicContact CB-CG 4.21Å; N149-Y151 PolarHBondContact O-N 3.29Å; N149-Y151 PolarHBondContact OD1-OH 3.01Å; N149-Y151 VanDerWaalsContact OD1-OH 3.13Å; N149-P182 WeakPolarHBondContact O-CA 3.25Å; N149-L183 PolarHBondContact O-N 3.04Å |
| 150 | Y | 94.6 | Very high | 93.2 | Very high | 77 Ų | 77 | 24.2 Ų | 24.2 | 30% | 0.302 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -84.9 | 5.5 | 173.3 | -63.7 | -78.5 | 0 | 0 | 0 | 113.5 | F107 F108 R112 L183 | F107-Y150 HydrophobicContact CD1-CE2 4.34Å; F107-Y150 AromaticContact CE1-CE2 3.74Å; F107-Y150 HydrophobicContact CE1-CE2 3.74Å; F107-Y150 AromaticContact CE1-CZ 3.84Å; F107-Y150 HydrophobicContact CZ-CE2 4.14Å; F108-Y150 HydrophobicContact CD1-CD1 4.05Å; F108-Y150 AromaticContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CE1 4.48Å; F108-Y150 HydrophobicContact CD1-CE2 4.2Å; F108-Y150 AromaticContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CE1-CD1 4.15Å; F108-Y150 HydrophobicContact CE1-CD2 4.47Å; F108-Y150 HydrophobicContact CE1-CE1 4.3Å; F108-Y150 HydrophobicContact CE1-CG 4.24Å; R112-Y150 PolarHBondContact NH1-OH 2.92Å; R112-Y150 PolarHBondContact NH2-OH 2.79Å; R112-Y150 VanDerWaalsContact NH2-OH 3.14Å; Y150-L183 HydrophobicContact CD1-CD1 3.88Å; Y150-L183 HydrophobicContact CD1-CD2 4.38Å; Y150-L183 HydrophobicContact CD1-CG 4.22Å; Y150-L183 HydrophobicContact CE1-CD1 3.74Å; Y150-L183 HydrophobicContact CE1-CD2 4.3Å; Y150-L183 HydrophobicContact CE1-CG 4.38Å |
| 151 | Y | 93.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 9% | 0.09 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -128 | 159.2 | 176.6 | 51.5 | -95.3 | 0 | 0 | 0 | 110.3 | P111 N147 N149 V153 Y229 F230 | P111-Y151 WeakPolarHBondContact CA-OH 3.5Å; N147-Y151 PolarHBondContact ND2-O 3.12Å; N149-Y151 HydrophobicContact CB-CD1 4.07Å; N149-Y151 HydrophobicContact CB-CD2 4.1Å; N149-Y151 HydrophobicContact CB-CE1 3.86Å; N149-Y151 HydrophobicContact CB-CE2 3.88Å; N149-Y151 HydrophobicContact CB-CG 4.21Å; N149-Y151 PolarHBondContact O-N 3.29Å; N149-Y151 PolarHBondContact OD1-OH 3.01Å; N149-Y151 VanDerWaalsContact OD1-OH 3.13Å; Y151-V153 HydrophobicContact CD2-CG2 4.26Å; Y151-V153 HydrophobicContact CE2-CG2 4.11Å; Y151-Y229 AromaticContact CE2-CD2 3.95Å; Y151-Y229 HydrophobicContact CE2-CD2 3.95Å; Y151-Y229 AromaticContact CE2-CG 3.88Å; Y151-Y229 HydrophobicContact CE2-CG 3.88Å; Y151-F230 AromaticContact CD1-CE2 3.56Å; Y151-F230 HydrophobicContact CD1-CE2 3.56Å; Y151-F230 AromaticContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD2-CD2 4.36Å; Y151-F230 AromaticContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CZ 4.18Å; Y151-F230 HydrophobicContact CE1-CD2 4.47Å; Y151-F230 AromaticContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CZ 4.46Å; Y151-F230 HydrophobicContact CE2-CD2 4.12Å; Y151-F230 AromaticContact CE2-CE2 3.77Å; Y151-F230 HydrophobicContact CE2-CE2 3.77Å; Y151-F230 AromaticContact CG-CE2 3.58Å; Y151-F230 HydrophobicContact CG-CE2 3.58Å; Y151-F230 AromaticContact CG-CZ 3.78Å; Y151-F230 HydrophobicContact CG-CZ 3.78Å; Y151-F230 AromaticContact CZ-CE2 3.7Å |
| 152 | S | 94.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 26.1 Ų | 26.1 | 41% | 0.406 | 14% | 0.138 | S | C | . | . | trans | -71.5 | 140.9 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | I180 | S152-I180 VanDerWaalsContact CA-O 3.3Å; S152-I180 WeakPolarHBondContact CA-O 3.36Å | ||
| 153 | V | 94.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.5 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | I114 Y151 T179 I180 A227 Y229 | I114-V153 HydrophobicContact CD1-CG1 3.86Å; I114-V153 HydrophobicContact CD1-CG2 4.31Å; Y151-V153 HydrophobicContact CD2-CG2 4.26Å; Y151-V153 HydrophobicContact CE2-CG2 4.11Å; V153-T179 WeakPolarHBondContact O-CA 2.94Å; V153-I180 PolarHBondContact N-O 3.02Å; V153-I180 PolarHBondContact O-N 3.47Å; V153-A227 HydrophobicContact CG1-CB 3.85Å; V153-Y229 HydrophobicContact CG1-CD1 4.34Å; V153-Y229 HydrophobicContact CG2-CD1 4.49Å |
| 154 | E | 93.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 28.4 Ų | 28.4 | 46% | 0.458 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129 | 174.8 | -67.9 | 178.5 | 177.7 | 0 | 0 | 109.9 | V177 T179 A227 T228 | E154-V177 HydrophobicContact CB-CG1 4.18Å; E154-T179 HydrophobicContact CG-CG2 4.39Å; E154-A227 CarbonylContact O-C 3.58Å; E154-A227 WeakPolarHBondContact O-CA 3.02Å; E154-T228 WeakPolarHBondContact CB-OG1 3.44Å; E154-T228 PolarHBondContact N-O 2.92Å; E154-T228 PolarHBondContact O-N 3.08Å; E154-T228 PolarHBondContact O-OG1 2.82Å |
| 155 | V | 92.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113.5 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | I145 I158 V177 I178 I180 I225 | I145-V155 HydrophobicContact CD1-CG1 4.25Å; I145-V155 HydrophobicContact CD1-CG2 4.47Å; V155-I158 HydrophobicContact CG1-CD1 4.4Å; V155-I158 HydrophobicContact CG1-CG1 4.21Å; V155-V177 CarbonylContact O-C 3.52Å; V155-V177 VanDerWaalsContact O-CA 3.26Å; V155-V177 WeakPolarHBondContact O-CA 3.26Å; V155-I178 PolarHBondContact N-O 3.28Å; V155-I178 PolarHBondContact O-N 3.36Å; V155-I180 HydrophobicContact CG2-CD1 3.88Å; V155-I180 HydrophobicContact CG2-CG1 4.42Å; V155-I225 HydrophobicContact CG1-CG2 3.41Å; V155-I225 VanDerWaalsContact CG1-CG2 3.41Å |
| 156 | A | 81.4 | Confident | 93.2 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -44.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S175 V177 T226 | A156-S175 CarbonylContact O-C 3.53Å; A156-S175 VanDerWaalsContact O-CA 3.32Å; A156-S175 WeakPolarHBondContact O-CA 3.47Å; A156-V177 HydrophobicContact CB-CG2 3.95Å; A156-T226 PolarHBondContact N-O 3.24Å |
| 157 | N | 89.9 | Confident | 93.1 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.9 | -175.1 | -68.7 | -56.2 | 0 | 0 | 0 | 110 | R173 I225 T226 | N157-R173 PolarHBondContact OD1-NH2 2.9Å; N157-I225 CarbonylContact O-C 3.52Å; N157-I225 WeakPolarHBondContact O-CA 3.21Å; N157-T226 PolarHBondContact O-N 3.19Å |
| 158 | I | 92.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.7 | 169.8 | -56 | 170.5 | 0 | 0 | 0 | 106.9 | V155 R173 I174 I188 V223 T224 I225 | V155-I158 HydrophobicContact CG1-CD1 4.4Å; V155-I158 HydrophobicContact CG1-CG1 4.21Å; I158-R173 WeakPolarHBondContact O-CA 3.38Å; I158-I174 HydrophobicContact CB-CB 4.33Å; I158-I174 PolarHBondContact N-O 2.81Å; I158-I174 PolarHBondContact O-N 3.06Å; I158-I188 HydrophobicContact CD1-CD1 4.24Å; I158-I188 HydrophobicContact CD1-CG2 4.36Å; I158-V223 HydrophobicContact CG2-CG1 3.85Å; I158-T224 WeakPolarHBondContact CA-O 3.31Å; I158-I225 HydrophobicContact CG1-CG1 4.39Å; I158-I225 HydrophobicContact CG1-CG2 4.33Å; I158-I225 HydrophobicContact CG2-CG1 4.41Å |
| 159 | T | 94.5 | Very high | 93.2 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.8 | 173 | 50.4 | 0 | 0 | 0 | 0 | 108.4 | S172 R173 V223 T224 | T159-S172 CarbonylContact C-O 3.57Å; T159-S172 WeakPolarHBondContact CA-O 3.43Å; T159-R173 HydrophobicContact CG2-CB 4.24Å; T159-R173 HydrophobicContact CG2-CG 3.85Å; T159-V223 CarbonylContact O-C 3.56Å; T159-V223 WeakPolarHBondContact O-CA 3.4Å; T159-T224 PolarHBondContact N-O 2.86Å; T159-T224 PolarHBondContact O-N 2.81Å; T159-T224 WeakPolarHBondContact OG1-CB 3.31Å; T159-T224 PolarHBondContact OG1-O 3.01Å |
| 160 | A | 95.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | N171 S172 Y190 V192 H222 V223 | A160-N171 CarbonylContact O-C 3.56Å; A160-N171 WeakPolarHBondContact O-CA 3.37Å; A160-N171 PolarHBondContact O-OD1 2.84Å; A160-S172 PolarHBondContact N-O 2.87Å; A160-S172 PolarHBondContact O-N 2.88Å; A160-Y190 HydrophobicContact CB-CD2 3.53Å; A160-Y190 HydrophobicContact CB-CE2 3.44Å; A160-Y190 VanDerWaalsContact CB-CE2 3.44Å; A160-V192 HydrophobicContact CB-CG2 3.69Å; A160-H222 WeakPolarHBondContact CA-O 3.29Å; A160-V223 HydrophobicContact CB-CG2 4.14Å |
| 161 | Q | 96.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.5 | 175.4 | -63.8 | 179.5 | 12.2 | 0 | 0 | 109.1 | G170 T221 H222 | Q161-G170 WeakPolarHBondContact CA-O 3.31Å; Q161-T221 CarbonylContact O-C 3.56Å; Q161-T221 WeakPolarHBondContact O-CA 3.24Å; Q161-H222 PolarHBondContact N-O 2.89Å; Q161-H222 PolarHBondContact O-N 3.42Å |
| 162 | V | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.4 | 173 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | I139 I169 G170 V192 T194 V219 M220 T221 | I139-V162 HydrophobicContact CD1-CG1 4.15Å; V162-I169 HydrophobicContact CB-CG1 4.35Å; V162-I169 HydrophobicContact CG1-CD1 3.96Å; V162-I169 HydrophobicContact CG1-CG1 3.92Å; V162-I169 WeakPolarHBondContact O-CG1 3.44Å; V162-I169 PolarHBondContact O-N 3.39Å; V162-G170 PolarHBondContact N-O 3.06Å; V162-G170 PolarHBondContact O-N 2.98Å; V162-V192 HydrophobicContact CB-CG1 4.36Å; V162-V192 HydrophobicContact CG2-CB 3.85Å; V162-V192 HydrophobicContact CG2-CG1 3.77Å; V162-V192 HydrophobicContact CG2-CG2 4.04Å; V162-T194 HydrophobicContact CB-CG2 3.77Å; V162-T194 HydrophobicContact CG1-CG2 3.99Å; V162-T194 HydrophobicContact CG2-CG2 4.02Å; V162-V219 HydrophobicContact CG1-CB 3.73Å; V162-V219 HydrophobicContact CG1-CG1 4.2Å; V162-V219 HydrophobicContact CG1-CG2 3.81Å; V162-M220 WeakPolarHBondContact CA-O 3.29Å; V162-T221 HydrophobicContact CG2-CG2 4.34Å |
| 163 | Q | 95.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.5 | -179.1 | -57.9 | -179.9 | 5.8 | 0 | 0 | 110.7 | T167 V168 V219 M220 | Q163-T167 CarbonylContact C-O 3.5Å; Q163-T167 WeakPolarHBondContact CA-O 3.38Å; Q163-V168 HydrophobicContact CG-CG2 3.97Å; Q163-V219 CarbonylContact O-C 3.59Å; Q163-V219 WeakPolarHBondContact O-CA 3.4Å; Q163-M220 HydrophobicContact CB-CB 4.36Å; Q163-M220 PolarHBondContact N-O 3.48Å; Q163-M220 PolarHBondContact O-N 3.13Å |
| 164 | F | 94.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.5 | 170.1 | 179.5 | -100.7 | 0 | 0 | 0 | 108.6 | R166 T167 I169 L200 M203 I217 V218 V219 | F164-R166 PolarHBondContact O-N 3.32Å; F164-R166 VanDerWaalsContact O-N 3.12Å; F164-T167 PolarHBondContact N-O 3.07Å; F164-T167 WeakPolarHBondContact O-CB 3.47Å; F164-T167 PolarHBondContact O-N 2.86Å; F164-I169 HydrophobicContact CB-CD1 3.78Å; F164-I169 HydrophobicContact CB-CG1 4.24Å; F164-I169 HydrophobicContact CB-CG2 3.98Å; F164-L200 HydrophobicContact CD1-CD1 3.88Å; F164-L200 HydrophobicContact CD1-CD2 4Å; F164-L200 HydrophobicContact CE1-CD2 4.16Å; F164-M203 HydrophobicContact CE1-CG 4.15Å; F164-M203 HydrophobicContact CE1-SD 3.87Å; F164-M203 HydrophobicContact CZ-CG 4.45Å; F164-M203 HydrophobicContact CZ-SD 3.62Å; F164-I217 HydrophobicContact CD2-CD1 4.48Å; F164-I217 HydrophobicContact CE2-CB 4.05Å; F164-I217 HydrophobicContact CE2-CG2 4.47Å; F164-V218 WeakPolarHBondContact CD2-O 3.43Å; F164-V219 HydrophobicContact CD2-CG1 4.41Å |
| 165 | A | 89.4 | Confident | 92.9 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 61% | 0.612 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 36.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T167 | A165-T167 PolarHBondContact O-N 3.42Š|
| 166 | R | 89.2 | Confident | 92.6 | Very high | 231 Ų | 231 | 57.4 Ų | 57.4 | 87% | 0.872 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 0.9 | -174.7 | -51.2 | 174.3 | -179.1 | -92.8 | -1.4 | 115.7 | F164 | F164-R166 PolarHBondContact O-N 3.32Å; F164-R166 VanDerWaalsContact O-N 3.12Å |
| 167 | T | 93.5 | Very high | 92.8 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.1 | 172.2 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | Q163 F164 A165 I169 | Q163-T167 CarbonylContact C-O 3.5Å; Q163-T167 WeakPolarHBondContact CA-O 3.38Å; F164-T167 PolarHBondContact N-O 3.07Å; F164-T167 WeakPolarHBondContact O-CB 3.47Å; F164-T167 PolarHBondContact O-N 2.86Å; A165-T167 PolarHBondContact O-N 3.42Å; T167-I169 PolarHBondContact O-N 2.98Å |
| 168 | V | 95.5 | Very high | 92.9 | Very high | 77 Ų | 77 | 60 Ų | 60 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 113 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | Q163 | Q163-V168 HydrophobicContact CG-CG2 3.97Å |
| 169 | I | 95.4 | Very high | 93 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -10.1 | -178.9 | 57.1 | 163.6 | 0 | 0 | 0 | 112.7 | V162 F164 T167 T194 V195 I196 L200 V219 | V162-I169 HydrophobicContact CB-CG1 4.35Å; V162-I169 HydrophobicContact CG1-CD1 3.96Å; V162-I169 HydrophobicContact CG1-CG1 3.92Å; V162-I169 WeakPolarHBondContact O-CG1 3.44Å; V162-I169 PolarHBondContact O-N 3.39Å; F164-I169 HydrophobicContact CB-CD1 3.78Å; F164-I169 HydrophobicContact CB-CG1 4.24Å; F164-I169 HydrophobicContact CB-CG2 3.98Å; T167-I169 PolarHBondContact O-N 2.98Å; I169-T194 CarbonylContact O-C 3.56Å; I169-T194 VanDerWaalsContact O-CA 3.25Å; I169-T194 WeakPolarHBondContact O-CA 3.32Å; I169-V195 WeakPolarHBondContact CB-O 3.41Å; I169-V195 PolarHBondContact O-N 3.29Å; I169-I196 HydrophobicContact CD1-CD1 4.3Å; I169-I196 HydrophobicContact CD1-CG1 4.01Å; I169-L200 HydrophobicContact CG2-CD1 3.63Å; I169-V219 HydrophobicContact CD1-CG1 4.3Å |
| 170 | G | 95.6 | Very high | 93 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 152.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q161 V162 P193 | Q161-G170 WeakPolarHBondContact CA-O 3.31Å; V162-G170 PolarHBondContact N-O 3.06Å; V162-G170 PolarHBondContact O-N 2.98Å; G170-P193 WeakPolarHBondContact CA-O 3.27Å |
| 171 | N | 96.1 | Very high | 93 | Very high | 96 Ų | 96 | 65.7 Ų | 65.7 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 138.9 | 178 | -174.4 | 7.4 | 0 | 0 | 0 | 109 | A160 | A160-N171 CarbonylContact O-C 3.56Å; A160-N171 WeakPolarHBondContact O-CA 3.37Å; A160-N171 PolarHBondContact O-OD1 2.84Å |
| 172 | S | 95.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 16% | 0.161 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.8 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | T159 A160 M191 | T159-S172 CarbonylContact C-O 3.57Å; T159-S172 WeakPolarHBondContact CA-O 3.43Å; A160-S172 PolarHBondContact N-O 2.87Å; A160-S172 PolarHBondContact O-N 2.88Å; S172-M191 VanDerWaalsContact CB-O 3.27Å; S172-M191 WeakPolarHBondContact CB-O 3.41Å; S172-M191 PolarHBondContact OG-O 3.27Å |
| 173 | R | 94.3 | Very high | 92.8 | Very high | 166 Ų | 166 | 70.5 Ų | 70.5 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.1 | 175.4 | -177.9 | 174.9 | 178.4 | -143.3 | -3 | 109.7 | N157 I158 T159 | N157-R173 PolarHBondContact OD1-NH2 2.9Å; I158-R173 WeakPolarHBondContact O-CA 3.38Å; T159-R173 HydrophobicContact CG2-CB 4.24Å; T159-R173 HydrophobicContact CG2-CG 3.85Å |
| 174 | I | 91 | Very high | 92.8 | Very high | 35 Ų | 35 | 72.3 Ų | 72.3 | 18% | 0.179 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.5 | 174.8 | -60.3 | 161.7 | 0 | 0 | 0 | 107.1 | I158 N176 | I158-I174 HydrophobicContact CB-CB 4.33Å; I158-I174 PolarHBondContact N-O 2.81Å; I158-I174 PolarHBondContact O-N 3.06Å; I174-N176 HydrophobicContact CG2-CB 4.1Å |
| 175 | S | 87.3 | Confident | 92.8 | Very high | 79 Ų | 79 | 75.5 Ų | 75.5 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | trans | -107.8 | 24.6 | -178.4 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | A156 | A156-S175 CarbonylContact O-C 3.53Å; A156-S175 VanDerWaalsContact O-CA 3.32Å; A156-S175 WeakPolarHBondContact O-CA 3.47Å | ||
| 176 | N | 86.8 | Confident | 92.9 | Very high | 110 Ų | 110 | 76.4 Ų | 76.4 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | trans | -80.8 | 122.8 | 178.8 | -72.5 | -31.5 | 0 | 0 | 0 | 109.7 | I174 I178 | I174-N176 HydrophobicContact CG2-CB 4.1Å; N176-I178 PolarHBondContact O-N 2.96Å | ||
| 177 | V | 85.6 | Confident | 93.1 | Very high | 90 Ų | 90 | 70.8 Ų | 70.8 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | trans | -77.2 | 121.6 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | E154 V155 A156 | E154-V177 HydrophobicContact CB-CG1 4.18Å; V155-V177 CarbonylContact O-C 3.52Å; V155-V177 VanDerWaalsContact O-CA 3.26Å; V155-V177 WeakPolarHBondContact O-CA 3.26Å; A156-V177 HydrophobicContact CB-CG2 3.95Å | ||
| 178 | I | 91.7 | Very high | 93.1 | Very high | 30 Ų | 30 | 69 Ų | 69 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.6 | -178.2 | -57.7 | 167.7 | 0 | 0 | 0 | 108.9 | V155 N176 K186 I188 | V155-I178 PolarHBondContact N-O 3.28Å; V155-I178 PolarHBondContact O-N 3.36Å; N176-I178 PolarHBondContact O-N 2.96Å; I178-K186 HydrophobicContact CG2-CD 3.68Å; I178-I188 HydrophobicContact CD1-CD1 3.37Å; I178-I188 HydrophobicContact CD1-CG1 3.88Å; I178-I188 HydrophobicContact CD1-CG2 4.38Å |
| 179 | T | 93.2 | Very high | 92.9 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.2 | 173.9 | -42.6 | 0 | 0 | 0 | 0 | 110.4 | V153 E154 | V153-T179 WeakPolarHBondContact O-CA 2.94Å; E154-T179 HydrophobicContact CG-CG2 4.39Å |
| 180 | I | 94.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.9 | 173.6 | -53.2 | 178.3 | 0 | 0 | 0 | 108 | I145 N147 S152 V153 V155 N184 K186 | I145-I180 HydrophobicContact CB-CD1 3.81Å; I145-I180 HydrophobicContact CD1-CD1 4.5Å; I145-I180 HydrophobicContact CG2-CD1 3.44Å; I145-I180 VanDerWaalsContact CG2-CD1 3.44Å; N147-I180 HydrophobicContact CB-CB 4.3Å; N147-I180 HydrophobicContact CB-CG2 3.67Å; S152-I180 VanDerWaalsContact CA-O 3.3Å; S152-I180 WeakPolarHBondContact CA-O 3.36Å; V153-I180 PolarHBondContact N-O 3.02Å; V153-I180 PolarHBondContact O-N 3.47Å; V155-I180 HydrophobicContact CG2-CD1 3.88Å; V155-I180 HydrophobicContact CG2-CG1 4.42Å; I180-N184 WeakPolarHBondContact CG2-O 3.41Å; I180-K186 HydrophobicContact CD1-CB 4.32Å; I180-K186 HydrophobicContact CG1-CB 4.25Å; I180-K186 HydrophobicContact CG1-CD 4.44Å |
| 181 | N | 95.2 | Very high | 92.8 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | trans | -65.5 | 162.8 | -179.6 | -70.7 | -20.9 | 0 | 0 | 0 | 112 | N147 N184 | N147-N181 PolarHBondContact ND2-O 2.93Å; N147-N181 VanDerWaalsContact ND2-O 3.07Å; N181-N184 HydrophobicContact CB-CB 4.03Å; N181-N184 WeakPolarHBondContact O-CB 3.42Å; N181-N184 PolarHBondContact O-N 2.86Å | ||
| 182 | P | 94.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 138.9 | 174.2 | -24.7 | 34.7 | 0 | 0 | 0 | 112.1 | N149 N184 | N149-P182 WeakPolarHBondContact O-CA 3.25Å; P182-N184 PolarHBondContact O-N 2.82Å |
| 183 | L | 93.9 | Very high | 92.8 | Very high | 104 Ų | 104 | 69.9 Ų | 69.9 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 30.1 | 176.9 | -56 | 177.7 | 0 | 0 | 0 | 114 | N147 N148 N149 Y150 | N147-L183 CarbonylContact O-C 3.55Å; N147-L183 WeakPolarHBondContact O-CA 3.36Å; N147-L183 PolarHBondContact O-N 3.36Å; N148-L183 WeakPolarHBondContact O-CD2 3.43Å; N149-L183 PolarHBondContact O-N 3.04Å; Y150-L183 HydrophobicContact CD1-CD1 3.88Å; Y150-L183 HydrophobicContact CD1-CD2 4.38Å; Y150-L183 HydrophobicContact CD1-CG 4.22Å; Y150-L183 HydrophobicContact CE1-CD1 3.74Å; Y150-L183 HydrophobicContact CE1-CD2 4.3Å; Y150-L183 HydrophobicContact CE1-CG 4.38Å |
| 184 | N | 95.5 | Very high | 92.9 | Very high | 79 Ų | 79 | 62 Ų | 62 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | trans | -121.6 | 159 | -175.8 | -160.7 | 6.4 | 0 | 0 | 0 | 111.4 | N147 I180 N181 P182 | N147-N184 PolarHBondContact N-O 2.92Å; N147-N184 PolarHBondContact O-N 3.17Å; I180-N184 WeakPolarHBondContact CG2-O 3.41Å; N181-N184 HydrophobicContact CB-CB 4.03Å; N181-N184 WeakPolarHBondContact O-CB 3.42Å; N181-N184 PolarHBondContact O-N 2.86Å; P182-N184 PolarHBondContact O-N 2.82Å | ||
| 185 | M | 94.4 | Very high | 93.1 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.4 | -178 | -178.9 | -174.3 | 73.2 | 0 | 0 | 109.7 | N144 I145 T146 | N144-M185 PolarHBondContact ND2-SD 2.82Å; N144-M185 WeakPolarHBondContact OD1-CG 3.4Å; N144-M185 PolarHBondContact OD1-SD 3.14Å; I145-M185 CarbonylContact O-C 3.21Å; I145-M185 WeakPolarHBondContact O-CA 3.04Å; T146-M185 HydrophobicContact CG2-CB 4.35Å |
| 186 | K | 93 | Very high | 93.5 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 40% | 0.4 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.7 | 176.4 | -157.6 | 169.6 | -174.3 | 174.2 | 0 | 110.7 | I145 I178 I180 | I145-K186 PolarHBondContact N-O 3.19Å; I145-K186 PolarHBondContact O-N 3.49Å; I178-K186 HydrophobicContact CG2-CD 3.68Å; I180-K186 HydrophobicContact CD1-CB 4.32Å; I180-K186 HydrophobicContact CG1-CB 4.25Å; I180-K186 HydrophobicContact CG1-CD 4.44Å |
| 187 | Q | 93.5 | Very high | 93.7 | Very high | 113 Ų | 113 | 55.1 Ų | 55.1 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.6 | 174.3 | -69.1 | -177.7 | -4.8 | 0 | 0 | 110.4 | T142 L143 N144 | T142-Q187 HydrophobicContact CG2-CB 4.21Å; T142-Q187 HydrophobicContact CG2-CG 4.49Å; L143-Q187 CarbonylContact O-C 3.58Å; L143-Q187 VanDerWaalsContact O-CA 3.26Å; L143-Q187 WeakPolarHBondContact O-CA 3.22Å; N144-Q187 HydrophobicContact CB-CG 4.31Å |
| 188 | I | 91.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.2 | -179.3 | -61.8 | 159.4 | 0 | 0 | 0 | 108 | L143 I145 I158 I178 | L143-I188 WeakPolarHBondContact CB-O 3.21Å; L143-I188 PolarHBondContact N-O 2.99Å; L143-I188 PolarHBondContact O-N 2.81Å; I145-I188 HydrophobicContact CD1-CD1 3.76Å; I158-I188 HydrophobicContact CD1-CD1 4.24Å; I158-I188 HydrophobicContact CD1-CG2 4.36Å; I178-I188 HydrophobicContact CD1-CD1 3.37Å; I178-I188 HydrophobicContact CD1-CG1 3.88Å; I178-I188 HydrophobicContact CD1-CG2 4.38Å |
| 189 | D | 93.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 64 Ų | 64 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 133.7 | 173.3 | -61.4 | -33.7 | 0 | 0 | 0 | 109.9 | K122 T140 N141 T142 | K122-D189 IonicContact NZ-OD1 2.58Å; K122-D189 IonicContact NZ-OD2 3.64Å; K122-D189 PolarHBondContact NZ-OD2 3.02Å; T140-D189 HydrophobicContact CG2-CB 4.36Å; N141-D189 WeakPolarHBondContact O-CA 3.41Å; T142-D189 WeakPolarHBondContact CB-OD1 3.38Å; T142-D189 WeakPolarHBondContact CG2-OD1 3.48Å; T142-D189 PolarHBondContact OG1-OD1 2.85Å |
| 190 | Y | 92.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.5 | 174.4 | 67.1 | -84.4 | 0 | 0 | 0 | 110.3 | N118 T140 N141 L143 A160 V192 T221 V223 | N118-Y190 PolarHBondContact ND2-OH 2.74Å; T140-Y190 WeakPolarHBondContact CA-O 3.47Å; N141-Y190 HydrophobicContact CB-CD1 4.33Å; N141-Y190 HydrophobicContact CB-CE1 3.65Å; N141-Y190 HydrophobicContact CB-CE2 3.99Å; N141-Y190 VanDerWaalsContact CB-CZ 3.46Å; N141-Y190 WeakPolarHBondContact CB-OH 3.48Å; N141-Y190 PolarHBondContact N-O 2.95Å; N141-Y190 PolarHBondContact O-N 2.79Å; L143-Y190 HydrophobicContact CB-CD1 3.98Å; L143-Y190 HydrophobicContact CB-CE1 3.84Å; L143-Y190 HydrophobicContact CD1-CE1 3.84Å; L143-Y190 HydrophobicContact CG-CE1 4.46Å; A160-Y190 HydrophobicContact CB-CD2 3.53Å; A160-Y190 HydrophobicContact CB-CE2 3.44Å; A160-Y190 VanDerWaalsContact CB-CE2 3.44Å; Y190-V192 HydrophobicContact CD2-CG2 3.88Å; Y190-V192 HydrophobicContact CE2-CG2 3.95Å; Y190-T221 HydrophobicContact CE2-CG2 4.3Å; Y190-T221 WeakPolarHBondContact OH-CG2 3.37Å; Y190-V223 HydrophobicContact CE1-CG2 4.22Å; Y190-V223 HydrophobicContact CE2-CG2 3.96Å; Y190-V223 WeakPolarHBondContact OH-CG2 3.41Å |
| 191 | M | 94.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 64.1 Ų | 64.1 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.4 | 177.6 | -170.3 | -157.5 | -41.2 | 0 | 0 | 109.6 | N138 I139 S172 | N138-M191 HydrophobicContact CB-CG 4.3Å; N138-M191 HydrophobicContact CB-SD 4.01Å; I139-M191 CarbonylContact O-C 3.56Å; I139-M191 WeakPolarHBondContact O-CA 3.34Å; S172-M191 VanDerWaalsContact CB-O 3.27Å; S172-M191 WeakPolarHBondContact CB-O 3.41Å; S172-M191 PolarHBondContact OG-O 3.27Å |
| 192 | V | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.2 | 171.2 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | I139 A160 V162 Y190 T194 | I139-V192 PolarHBondContact N-O 3.48Å; I139-V192 PolarHBondContact O-N 2.79Å; A160-V192 HydrophobicContact CB-CG2 3.69Å; V162-V192 HydrophobicContact CB-CG1 4.36Å; V162-V192 HydrophobicContact CG2-CB 3.85Å; V162-V192 HydrophobicContact CG2-CG1 3.77Å; V162-V192 HydrophobicContact CG2-CG2 4.04Å; Y190-V192 HydrophobicContact CD2-CG2 3.88Å; Y190-V192 HydrophobicContact CE2-CG2 3.95Å; V192-T194 HydrophobicContact CB-CG2 4.35Å; V192-T194 HydrophobicContact CG1-CG2 3.98Å; V192-T194 PolarHBondContact O-N 2.8Å |
| 193 | P | 96.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 64.4 Ų | 64.4 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 126 | 166.7 | 30.5 | -30.9 | 0 | 0 | 0 | 108.1 | N138 G170 | N138-P193 WeakPolarHBondContact OD1-CA 3.47Å; G170-P193 WeakPolarHBondContact CA-O 3.27Å |
| 194 | T | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142 | -178.8 | 69.7 | 0 | 0 | 0 | 0 | 109.8 | Y136 L137 I139 V162 I169 V192 | Y136-T194 WeakPolarHBondContact CA-O 3.37Å; L137-T194 VanDerWaalsContact CB-OG1 3.24Å; L137-T194 WeakPolarHBondContact CB-OG1 3.41Å; L137-T194 PolarHBondContact N-O 2.82Å; L137-T194 WeakPolarHBondContact O-CA 3.46Å; L137-T194 WeakPolarHBondContact O-CB 3.41Å; L137-T194 PolarHBondContact O-N 2.95Å; L137-T194 PolarHBondContact O-OG1 2.9Å; I139-T194 HydrophobicContact CD1-CG2 3.9Å; I139-T194 HydrophobicContact CG1-CG2 4.3Å; V162-T194 HydrophobicContact CB-CG2 3.77Å; V162-T194 HydrophobicContact CG1-CG2 3.99Å; V162-T194 HydrophobicContact CG2-CG2 4.02Å; I169-T194 CarbonylContact O-C 3.56Å; I169-T194 VanDerWaalsContact O-CA 3.25Å; I169-T194 WeakPolarHBondContact O-CA 3.32Å; V192-T194 HydrophobicContact CB-CG2 4.35Å; V192-T194 HydrophobicContact CG1-CG2 3.98Å; V192-T194 PolarHBondContact O-N 2.8Å |
| 195 | V | 95.4 | Very high | 92.9 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.8 | -178.3 | -171.2 | 0 | 0 | 0 | 0 | 107.3 | I134 Y136 I169 | I134-V195 HydrophobicContact CG2-CG1 3.51Å; Y136-V195 HydrophobicContact CD1-CB 4.44Å; Y136-V195 HydrophobicContact CD1-CG1 4.1Å; Y136-V195 HydrophobicContact CD1-CG2 3.86Å; Y136-V195 HydrophobicContact CE1-CG1 3.83Å; Y136-V195 HydrophobicContact CE1-CG2 3.96Å; I169-V195 WeakPolarHBondContact CB-O 3.41Å; I169-V195 PolarHBondContact O-N 3.29Å |
| 196 | I | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 104.1 | 172.7 | -55.7 | 178.3 | 0 | 0 | 0 | 106.3 | V135 L137 I169 L200 M203 I217 | V135-I196 HydrophobicContact CB-CB 4.26Å; V135-I196 PolarHBondContact N-O 3.3Å; V135-I196 PolarHBondContact O-N 3Å; L137-I196 HydrophobicContact CD1-CD1 3.63Å; L137-I196 HydrophobicContact CD1-CG1 4.42Å; I169-I196 HydrophobicContact CD1-CD1 4.3Å; I169-I196 HydrophobicContact CD1-CG1 4.01Å; I196-L200 HydrophobicContact CG2-CB 3.66Å; I196-L200 HydrophobicContact CG2-CD1 4.28Å; I196-M203 HydrophobicContact CG2-CB 3.69Å; I196-M203 HydrophobicContact CG2-CG 4.01Å; I196-I217 HydrophobicContact CD1-CD1 3.62Å |
| 197 | G | 92 | Very high | 92.8 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | trans | -159.6 | -167.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E199 L200 N201 | G197-E199 PolarHBondContact O-N 3.43Å; G197-E199 VanDerWaalsContact O-N 3.12Å; G197-L200 PolarHBondContact O-N 2.88Å; G197-N201 WeakPolarHBondContact CA-OD1 3.09Å | ||
| 198 | D | 88.8 | Confident | 92.7 | Very high | 143 Ų | 143 | 55.4 Ų | 55.4 | 77% | 0.765 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | 54.2 | -107.6 | -178 | -56.5 | -46.4 | 0 | 0 | 0 | 112.6 | L200 N201 | D198-L200 PolarHBondContact O-N 2.75Å; D198-N201 PolarHBondContact N-OD1 3.29Å; D198-N201 PolarHBondContact O-N 3.25Å; D198-N201 PolarHBondContact O-ND2 2.93Å; D198-N201 PolarHBondContact O-OD1 2.84Å |
| 199 | E | 89 | Confident | 92.8 | Very high | 165 Ų | 165 | 57.9 Ų | 57.9 | 77% | 0.771 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -65.1 | -16.6 | 177.6 | -61.1 | -177 | 172.7 | 0 | 0 | 112.8 | G197 | G197-E199 PolarHBondContact O-N 3.43Å; G197-E199 VanDerWaalsContact O-N 3.12Å |
| 200 | L | 91.5 | Very high | 92.5 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -107.2 | 14 | -178.3 | -58.1 | 175.1 | 0 | 0 | 0 | 113.5 | F164 I169 I196 G197 D198 Y202 M203 | F164-L200 HydrophobicContact CD1-CD1 3.88Å; F164-L200 HydrophobicContact CD1-CD2 4Å; F164-L200 HydrophobicContact CE1-CD2 4.16Å; I169-L200 HydrophobicContact CG2-CD1 3.63Å; I196-L200 HydrophobicContact CG2-CB 3.66Å; I196-L200 HydrophobicContact CG2-CD1 4.28Å; G197-L200 PolarHBondContact O-N 2.88Å; D198-L200 PolarHBondContact O-N 2.75Å; L200-Y202 HydrophobicContact CD2-CE1 3.9Å; L200-Y202 PolarHBondContact O-N 3.46Å; L200-M203 WeakPolarHBondContact O-CB 3.48Å; L200-M203 PolarHBondContact O-N 3.48Å |
| 201 | N | 88.6 | Confident | 92.3 | Very high | 61 Ų | 61 | 69.1 Ų | 69.1 | 33% | 0.326 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.7 | -178.7 | -80.3 | -3 | 0 | 0 | 0 | 114.2 | G197 D198 M203 Y204 | G197-N201 WeakPolarHBondContact CA-OD1 3.09Å; D198-N201 PolarHBondContact N-OD1 3.29Å; D198-N201 PolarHBondContact O-N 3.25Å; D198-N201 PolarHBondContact O-ND2 2.93Å; D198-N201 PolarHBondContact O-OD1 2.84Å; N201-M203 PolarHBondContact O-N 2.84Å; N201-M203 VanDerWaalsContact O-N 3.09Å; N201-Y204 VanDerWaalsContact O-CB 3.28Å; N201-Y204 WeakPolarHBondContact O-CB 3.26Å; N201-Y204 PolarHBondContact O-N 2.93Å |
| 202 | Y | 90.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 67.6 Ų | 67.6 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -19.2 | 175.8 | 67.1 | -86.5 | 0 | 0 | 0 | 113.3 | L200 Y204 | L200-Y202 HydrophobicContact CD2-CE1 3.9Å; L200-Y202 PolarHBondContact O-N 3.46Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å |
| 203 | M | 93 | Very high | 91.2 | Very high | 23 Ų | 23 | 77.1 Ų | 77.1 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.2 | -22.4 | 175.1 | -64.1 | -74.9 | 73.7 | 0 | 0 | 113.2 | F164 I196 L200 N201 E205 Y206 C207 | F164-M203 HydrophobicContact CE1-CG 4.15Å; F164-M203 HydrophobicContact CE1-SD 3.87Å; F164-M203 HydrophobicContact CZ-CG 4.45Å; F164-M203 HydrophobicContact CZ-SD 3.62Å; I196-M203 HydrophobicContact CG2-CB 3.69Å; I196-M203 HydrophobicContact CG2-CG 4.01Å; L200-M203 WeakPolarHBondContact O-CB 3.48Å; L200-M203 PolarHBondContact O-N 3.48Å; N201-M203 PolarHBondContact O-N 2.84Å; N201-M203 VanDerWaalsContact O-N 3.09Å; M203-E205 PolarHBondContact O-N 3.21Å; M203-Y206 HydrophobicContact CE-CD1 4.47Å; M203-Y206 HydrophobicContact CE-CG 4.34Å; M203-Y206 PolarHBondContact O-N 2.92Å; M203-C207 WeakPolarHBondContact O-CB 3.46Å; M203-C207 PolarHBondContact O-N 2.94Å; M203-C207 PolarHBondContact O-SG 2.89Å |
| 204 | Y | 93.8 | Very high | 90.7 | Very high | 20 Ų | 20 | 77.5 Ų | 77.5 | 8% | 0.078 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 175.8 | 177.4 | -89.1 | 0 | 0 | 0 | 111.8 | Y128 D129 L130 H133 V135 N201 Y202 Y206 C207 T208 | Y128-Y204 HydrophobicContact CD1-CE2 4.36Å; D129-Y204 WeakPolarHBondContact O-CE2 3.27Å; L130-Y204 WeakPolarHBondContact CD2-OH 3.3Å; L130-Y204 WeakPolarHBondContact CG-OH 3.48Å; H133-Y204 VanDerWaalsContact C-CD2 3.45Å; H133-Y204 HydrophobicContact CB-CD1 3.99Å; H133-Y204 HydrophobicContact CB-CD2 4.26Å; H133-Y204 HydrophobicContact CB-CG 3.8Å; H133-Y204 AromaticContact CD2-CD1 3.41Å; H133-Y204 VanDerWaalsContact CD2-CD1 3.41Å; H133-Y204 WeakPolarHBondContact CD2-CD1 3.36Å; H133-Y204 AromaticContact CD2-CE1 3.73Å; H133-Y204 AromaticContact CG-CD1 3.92Å; H133-Y204 WeakPolarHBondContact O-CB 3.36Å; V135-Y204 HydrophobicContact CG2-CD2 4.07Å; N201-Y204 VanDerWaalsContact O-CB 3.28Å; N201-Y204 WeakPolarHBondContact O-CB 3.26Å; N201-Y204 PolarHBondContact O-N 2.93Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y204-Y206 VanDerWaalsContact C-N 3.29Å; Y204-Y206 PolarHBondContact O-N 3.36Å; Y204-C207 PolarHBondContact O-N 3.42Å; Y204-T208 HydrophobicContact CD1-CG2 4.48Å; Y204-T208 HydrophobicContact CD2-CG2 4.31Å; Y204-T208 HydrophobicContact CE1-CG2 4.13Å; Y204-T208 HydrophobicContact CE2-CG2 3.97Å; Y204-T208 WeakPolarHBondContact O-CB 3.26Å; Y204-T208 WeakPolarHBondContact O-CG2 3.43Å; Y204-T208 PolarHBondContact O-N 3.1Å; Y204-T208 PolarHBondContact O-OG1 3.28Å |
| 205 | E | 92.3 | Very high | 90.5 | Very high | 137 Ų | 137 | 77.9 Ų | 77.9 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.5 | -40 | 177.5 | -67.7 | -175.3 | 178 | 0 | 0 | 111.4 | M203 L209 | M203-E205 PolarHBondContact O-N 3.21Å; E205-L209 WeakPolarHBondContact O-CB 3.44Å; E205-L209 PolarHBondContact O-N 3.46Å |
| 206 | Y | 92.9 | Very high | 90.2 | Very high | 79 Ų | 79 | 78 Ų | 78 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -54.8 | 175.3 | 176.3 | -105.2 | 0 | 0 | 0 | 111 | M203 Y204 T208 L209 I212 H215 N216 I217 | M203-Y206 HydrophobicContact CE-CD1 4.47Å; M203-Y206 HydrophobicContact CE-CG 4.34Å; M203-Y206 PolarHBondContact O-N 2.92Å; Y204-Y206 VanDerWaalsContact C-N 3.29Å; Y204-Y206 PolarHBondContact O-N 3.36Å; Y206-T208 VanDerWaalsContact C-N 3.26Å; Y206-T208 PolarHBondContact O-N 3.36Å; Y206-L209 VanDerWaalsContact O-CB 3.3Å; Y206-L209 WeakPolarHBondContact O-CB 3.31Å; Y206-L209 PolarHBondContact O-N 3.09Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; Y206-I212 HydrophobicContact CE2-CD1 4.17Å; Y206-H215 HydrophobicContact CD1-CB 4.34Å; Y206-H215 HydrophobicContact CE1-CB 3.88Å; Y206-H215 PolarHBondContact O-CD2 3.31Å; Y206-H215 PolarHBondContact O-NE2 3.26Å; Y206-H215 VanDerWaalsContact O-NE2 3.12Å; Y206-N216 PolarHBondContact OH-O 3.34Å; Y206-I217 HydrophobicContact CD1-CG2 4.41Å; Y206-I217 HydrophobicContact CE1-CG2 3.99Å |
| 207 | C | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -25.1 | -174.9 | -61.9 | 0 | 0 | 0 | 0 | 113.7 | Y128 V135 M203 Y204 H215 C246 G247 | Y128-C207 HydrophobicContact CE1-CB 4.07Å; Y128-C207 PolarHBondContact OH-O 3.37Å; V135-C207 HydrophobicContact CG2-CB 4.15Å; M203-C207 WeakPolarHBondContact O-CB 3.46Å; M203-C207 PolarHBondContact O-N 2.94Å; M203-C207 PolarHBondContact O-SG 2.89Å; Y204-C207 PolarHBondContact O-N 3.42Å; C207-H215 PolarHBondContact O-CE1 2.92Å; C207-C246 HydrophobicContact CB-CB 3.95Å; C207-C246 WeakPolarHBondContact CB-O 3.13Å; C207-C246 WeakPolarHBondContact CB-SG 3.47Å; C207-C246 WeakPolarHBondContact SG-CB 3.44Å; C207-C246 CovalentContact SG-SG 2.04Å; C207-C246 PolarHBondContact SG-SG 2.69Å; C207-G247 WeakPolarHBondContact O-CA 3.22Å |
| 208 | T | 92.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.8 | 178.5 | 58 | 0 | 0 | 0 | 0 | 113.8 | Y128 Y204 Y206 E210 | Y128-T208 HydrophobicContact CD1-CG2 3.76Å; Y128-T208 HydrophobicContact CE1-CG2 3.8Å; Y128-T208 HydrophobicContact CG-CG2 4.23Å; Y204-T208 HydrophobicContact CD1-CG2 4.48Å; Y204-T208 HydrophobicContact CD2-CG2 4.31Å; Y204-T208 HydrophobicContact CE1-CG2 4.13Å; Y204-T208 HydrophobicContact CE2-CG2 3.97Å; Y204-T208 WeakPolarHBondContact O-CB 3.26Å; Y204-T208 WeakPolarHBondContact O-CG2 3.43Å; Y204-T208 PolarHBondContact O-N 3.1Å; Y204-T208 PolarHBondContact O-OG1 3.28Å; Y206-T208 VanDerWaalsContact C-N 3.26Å; Y206-T208 PolarHBondContact O-N 3.36Å; T208-E210 PolarHBondContact O-N 2.86Å; T208-E210 VanDerWaalsContact O-N 3.14Å |
| 209 | L | 92.1 | Very high | 90.5 | Very high | 74 Ų | 74 | 74 Ų | 74 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | trans | -68.4 | 110.8 | -173.8 | -170 | 66 | 0 | 0 | 0 | 112.3 | E205 Y206 T211 I212 H215 | E205-L209 WeakPolarHBondContact O-CB 3.44Å; E205-L209 PolarHBondContact O-N 3.46Å; Y206-L209 VanDerWaalsContact O-CB 3.3Å; Y206-L209 WeakPolarHBondContact O-CB 3.31Å; Y206-L209 PolarHBondContact O-N 3.09Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; L209-T211 WeakPolarHBondContact CD2-OG1 3.45Å; L209-T211 VanDerWaalsContact CG-OG1 3.31Å; L209-T211 WeakPolarHBondContact CG-OG1 3.27Å; L209-T211 PolarHBondContact O-N 2.84Å; L209-I212 HydrophobicContact CD2-CD1 3.86Å; L209-I212 HydrophobicContact CD2-CG1 4.09Å; L209-I212 PolarHBondContact O-N 3.39Å; L209-I212 VanDerWaalsContact O-O 3.07Å; L209-H215 PolarHBondContact O-CE1 3.48Å; L209-H215 PolarHBondContact O-NE2 2.9Å | ||
| 210 | E | 87.8 | Confident | 90.8 | Very high | 189 Ų | 189 | 67.4 Ų | 67.4 | 88% | 0.883 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.8 | -176.8 | -62.6 | -174.2 | 171.8 | 0 | 0 | 114.8 | T208 I212 | T208-E210 PolarHBondContact O-N 2.86Å; T208-E210 VanDerWaalsContact O-N 3.14Å; E210-I212 PolarHBondContact O-N 2.95Å |
| 211 | T | 87.9 | Confident | 90.9 | Very high | 121 Ų | 121 | 66.8 Ų | 66.8 | 74% | 0.742 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.1 | -179.9 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | L209 | L209-T211 WeakPolarHBondContact CD2-OG1 3.45Å; L209-T211 VanDerWaalsContact CG-OG1 3.31Å; L209-T211 WeakPolarHBondContact CG-OG1 3.27Å; L209-T211 PolarHBondContact O-N 2.84Å |
| 212 | I | 85.3 | Confident | 91.2 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | trans | -109.1 | 128.7 | 179.1 | -58.2 | 177.7 | 0 | 0 | 0 | 108.1 | Y206 L209 E210 V214 H215 | Y206-I212 HydrophobicContact CE2-CD1 4.17Å; L209-I212 HydrophobicContact CD2-CD1 3.86Å; L209-I212 HydrophobicContact CD2-CG1 4.09Å; L209-I212 PolarHBondContact O-N 3.39Å; L209-I212 VanDerWaalsContact O-O 3.07Å; E210-I212 PolarHBondContact O-N 2.95Å; I212-V214 WeakPolarHBondContact CG2-O 3.33Å; I212-H215 PolarHBondContact O-CE1 2.94Å; I212-H215 PolarHBondContact O-NE2 3.35Å | ||
| 213 | K | 82.1 | Confident | 91.4 | Very high | 199 Ų | 199 | 59.5 Ų | 59.5 | 87% | 0.865 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -86 | -18.1 | -179.6 | -67.5 | -171.3 | 176.6 | -175.3 | 0 | 114.2 | ||
| 214 | V | 86.7 | Confident | 91.5 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | trans | -139.6 | 118.4 | -175.1 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | I212 N216 | I212-V214 WeakPolarHBondContact CG2-O 3.33Å; V214-N216 WeakPolarHBondContact CG1-ND2 3.46Å | ||
| 215 | H | 90.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | trans | -110 | 67.6 | -173 | -55.3 | 88.3 | 0 | 0 | 0 | 109.8 | Y206 C207 L209 I212 I217 D245 C246 G247 | Y206-H215 HydrophobicContact CD1-CB 4.34Å; Y206-H215 HydrophobicContact CE1-CB 3.88Å; Y206-H215 PolarHBondContact O-CD2 3.31Å; Y206-H215 PolarHBondContact O-NE2 3.26Å; Y206-H215 VanDerWaalsContact O-NE2 3.12Å; C207-H215 PolarHBondContact O-CE1 2.92Å; L209-H215 PolarHBondContact O-CE1 3.48Å; L209-H215 PolarHBondContact O-NE2 2.9Å; I212-H215 PolarHBondContact O-CE1 2.94Å; I212-H215 PolarHBondContact O-NE2 3.35Å; H215-I217 PolarHBondContact O-N 3.36Å; H215-D245 PolarHBondContact N-OD1 2.94Å; H215-C246 VanDerWaalsContact CB-SG 3.57Å; H215-C246 PolarHBondContact O-N 3.32Å; H215-C246 PolarHBondContact O-SG 2.85Å; H215-G247 WeakPolarHBondContact ND1-CA 3.17Å | ||
| 216 | N | 90.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126.4 | -179 | -71 | -40.3 | 0 | 0 | 0 | 111 | Y206 V214 V244 | Y206-N216 PolarHBondContact OH-O 3.34Å; V214-N216 WeakPolarHBondContact CG1-ND2 3.46Å; N216-V244 CarbonylContact C-O 3.49Å; N216-V244 WeakPolarHBondContact CA-O 3.32Å |
| 217 | I | 92.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151 | 169.4 | 61.3 | 168 | 0 | 0 | 0 | 109.5 | L137 F164 I196 Y206 H215 V219 Y243 V244 C246 | L137-I217 HydrophobicContact CD1-CD1 4Å; F164-I217 HydrophobicContact CD2-CD1 4.48Å; F164-I217 HydrophobicContact CE2-CB 4.05Å; F164-I217 HydrophobicContact CE2-CG2 4.47Å; I196-I217 HydrophobicContact CD1-CD1 3.62Å; Y206-I217 HydrophobicContact CD1-CG2 4.41Å; Y206-I217 HydrophobicContact CE1-CG2 3.99Å; H215-I217 PolarHBondContact O-N 3.36Å; I217-V219 HydrophobicContact CD1-CG1 4.04Å; I217-V219 HydrophobicContact CG1-CG1 4.3Å; I217-Y243 WeakPolarHBondContact O-CA 3.09Å; I217-V244 HydrophobicContact CG1-CB 4.18Å; I217-V244 WeakPolarHBondContact CG1-O 3Å; I217-V244 PolarHBondContact N-O 3.49Å; I217-V244 PolarHBondContact O-N 2.99Å; I217-C246 HydrophobicContact CD1-CB 4.18Å; I217-C246 HydrophobicContact CG1-CB 4.4Å |
| 218 | V | 93.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 51 Ų | 51 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.9 | 174.4 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | F164 Y241 Y243 | F164-V218 WeakPolarHBondContact CD2-O 3.43Å; V218-Y241 HydrophobicContact CG1-CD1 4.15Å; V218-Y243 HydrophobicContact CG2-CD1 3.62Å; V218-Y243 HydrophobicContact CG2-CE1 3.3Å; V218-Y243 HydrophobicContact CG2-CG 4.46Å |
| 219 | V | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 148.6 | 172.1 | -52.6 | 0 | 0 | 0 | 0 | 110 | I139 V162 Q163 F164 I169 I217 Y241 Q242 V244 | I139-V219 HydrophobicContact CD1-CG2 4.43Å; V162-V219 HydrophobicContact CG1-CB 3.73Å; V162-V219 HydrophobicContact CG1-CG1 4.2Å; V162-V219 HydrophobicContact CG1-CG2 3.81Å; Q163-V219 CarbonylContact O-C 3.59Å; Q163-V219 WeakPolarHBondContact O-CA 3.4Å; F164-V219 HydrophobicContact CD2-CG1 4.41Å; I169-V219 HydrophobicContact CD1-CG1 4.3Å; I217-V219 HydrophobicContact CD1-CG1 4.04Å; I217-V219 HydrophobicContact CG1-CG1 4.3Å; V219-Y241 WeakPolarHBondContact O-CA 3.02Å; V219-Q242 HydrophobicContact CG2-CG 3.69Å; V219-Q242 PolarHBondContact N-O 3.37Å; V219-Q242 PolarHBondContact O-N 3.33Å; V219-V244 HydrophobicContact CB-CG2 4.26Å; V219-V244 HydrophobicContact CG1-CG2 3.95Å; V219-V244 HydrophobicContact CG2-CG2 3.38Å |
| 220 | M | 94.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.9 | 171.4 | -175.4 | 178.5 | 178.4 | 0 | 0 | 108.3 | V162 Q163 E239 Y241 | V162-M220 WeakPolarHBondContact CA-O 3.29Å; Q163-M220 HydrophobicContact CB-CB 4.36Å; Q163-M220 PolarHBondContact N-O 3.48Å; Q163-M220 PolarHBondContact O-N 3.13Å; M220-E239 HydrophobicContact CE-CB 3.79Å; M220-E239 HydrophobicContact CE-CG 3.77Å; M220-E239 WeakPolarHBondContact CE-OE2 2.98Å; M220-Y241 HydrophobicContact CB-CD1 3.91Å; M220-Y241 HydrophobicContact CB-CE1 3.71Å; M220-Y241 HydrophobicContact CG-CD1 4.23Å; M220-Y241 HydrophobicContact CG-CE1 3.85Å; M220-Y241 HydrophobicContact SD-CE1 3.88Å; M220-Y241 PolarHBondContact SD-OH 2.79Å |
| 221 | T | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.4 | 175.7 | -55.3 | 0 | 0 | 0 | 0 | 108.5 | Q161 V162 Y190 V223 E239 M240 Q242 | Q161-T221 CarbonylContact O-C 3.56Å; Q161-T221 WeakPolarHBondContact O-CA 3.24Å; V162-T221 HydrophobicContact CG2-CG2 4.34Å; Y190-T221 HydrophobicContact CE2-CG2 4.3Å; Y190-T221 WeakPolarHBondContact OH-CG2 3.37Å; T221-V223 HydrophobicContact CG2-CG2 3.98Å; T221-E239 WeakPolarHBondContact O-CA 3.44Å; T221-M240 PolarHBondContact N-O 3.22Å; T221-M240 PolarHBondContact O-N 3.48Å; T221-Q242 PolarHBondContact OG1-NE2 3.44Å |
| 222 | H | 95.3 | Very high | 91.3 | Very high | 35 Ų | 35 | 48 Ų | 48 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.7 | 175.5 | 173.6 | -120.6 | 0 | 0 | 0 | 108.1 | A160 Q161 T224 E239 | A160-H222 WeakPolarHBondContact CA-O 3.29Å; Q161-H222 PolarHBondContact N-O 2.89Å; Q161-H222 PolarHBondContact O-N 3.42Å; H222-T224 PolarHBondContact CE1-OG1 3.32Å; H222-T224 VanDerWaalsContact CE1-OG1 3.3Å; H222-E239 HydrophobicContact CB-CG 4.22Å; H222-E239 VanDerWaalsContact CD2-CG 3.44Å; H222-E239 WeakPolarHBondContact CD2-CG 3.27Å; H222-E239 IonicContact CD2-OE1 3.99Å |
| 223 | V | 94.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.6 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L143 I158 T159 A160 Y190 T221 I225 S237 E238 | L143-V223 HydrophobicContact CD1-CB 4.29Å; L143-V223 HydrophobicContact CD1-CG1 3.98Å; L143-V223 HydrophobicContact CD1-CG2 4.23Å; I158-V223 HydrophobicContact CG2-CG1 3.85Å; T159-V223 CarbonylContact O-C 3.56Å; T159-V223 WeakPolarHBondContact O-CA 3.4Å; A160-V223 HydrophobicContact CB-CG2 4.14Å; Y190-V223 HydrophobicContact CE1-CG2 4.22Å; Y190-V223 HydrophobicContact CE2-CG2 3.96Å; Y190-V223 WeakPolarHBondContact OH-CG2 3.41Å; T221-V223 HydrophobicContact CG2-CG2 3.98Å; V223-I225 HydrophobicContact CG1-CD1 4.46Å; V223-I225 HydrophobicContact CG1-CG1 4.02Å; V223-S237 CarbonylContact O-C 3.59Å; V223-S237 WeakPolarHBondContact O-CA 3.45Å; V223-E238 PolarHBondContact N-O 3.44Å; V223-E238 PolarHBondContact O-N 3.11Å |
| 224 | T | 94.7 | Very high | 92 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.9 | 171.7 | -44 | 0 | 0 | 0 | 0 | 109.3 | I158 T159 H222 Q235 I236 | I158-T224 WeakPolarHBondContact CA-O 3.31Å; T159-T224 PolarHBondContact N-O 2.86Å; T159-T224 PolarHBondContact O-N 2.81Å; T159-T224 WeakPolarHBondContact OG1-CB 3.31Å; T159-T224 PolarHBondContact OG1-O 3.01Å; H222-T224 PolarHBondContact CE1-OG1 3.32Å; H222-T224 VanDerWaalsContact CE1-OG1 3.3Å; T224-Q235 HydrophobicContact CG2-CB 4.38Å; T224-I236 CarbonylContact C-O 3.49Å; T224-I236 WeakPolarHBondContact CA-O 3.31Å |
| 225 | I | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.2 | -175.8 | -54.5 | 179.5 | 0 | 0 | 0 | 108.3 | V116 L143 I145 V155 N157 I158 V223 Q235 I236 | V116-I225 HydrophobicContact CB-CD1 4.28Å; V116-I225 HydrophobicContact CG1-CD1 3.47Å; V116-I225 VanDerWaalsContact CG1-CD1 3.47Å; V116-I225 HydrophobicContact CG2-CD1 3.75Å; L143-I225 HydrophobicContact CD2-CD1 3.18Å; L143-I225 HydrophobicContact CD2-CG1 4.31Å; L143-I225 HydrophobicContact CG-CD1 4.39Å; I145-I225 HydrophobicContact CD1-CD1 3.91Å; I145-I225 HydrophobicContact CG1-CD1 4.22Å; V155-I225 HydrophobicContact CG1-CG2 3.41Å; V155-I225 VanDerWaalsContact CG1-CG2 3.41Å; N157-I225 CarbonylContact O-C 3.52Å; N157-I225 WeakPolarHBondContact O-CA 3.21Å; I158-I225 HydrophobicContact CG1-CG1 4.39Å; I158-I225 HydrophobicContact CG1-CG2 4.33Å; I158-I225 HydrophobicContact CG2-CG1 4.41Å; V223-I225 HydrophobicContact CG1-CD1 4.46Å; V223-I225 HydrophobicContact CG1-CG1 4.02Å; I225-Q235 CarbonylContact O-C 3.59Å; I225-Q235 VanDerWaalsContact O-CA 3.31Å; I225-Q235 WeakPolarHBondContact O-CA 3.49Å; I225-I236 PolarHBondContact N-O 3.4Å; I225-I236 PolarHBondContact O-N 2.82Å |
| 226 | T | 94.2 | Very high | 92.4 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.3 | 170.1 | -49.2 | 0 | 0 | 0 | 0 | 109.4 | A156 N157 T228 E234 Q235 | A156-T226 PolarHBondContact N-O 3.24Å; N157-T226 PolarHBondContact O-N 3.19Å; T226-T228 HydrophobicContact CG2-CG2 4.42Å; T226-E234 WeakPolarHBondContact CA-O 3.21Å; T226-Q235 HydrophobicContact CG2-CG 4.42Å |
| 227 | A | 92.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I114 V153 E154 S233 E234 | I114-A227 HydrophobicContact CD1-CB 3.68Å; V153-A227 HydrophobicContact CG1-CB 3.85Å; E154-A227 CarbonylContact O-C 3.58Å; E154-A227 WeakPolarHBondContact O-CA 3.02Å; A227-S233 CarbonylContact O-C 3.51Å; A227-S233 WeakPolarHBondContact O-CA 3.15Å; A227-E234 PolarHBondContact N-O 3.13Å; A227-E234 PolarHBondContact O-N 3.25Å |
| 228 | T | 92.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.7 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 111 | E154 T226 H232 S233 | E154-T228 WeakPolarHBondContact CB-OG1 3.44Å; E154-T228 PolarHBondContact N-O 2.92Å; E154-T228 PolarHBondContact O-N 3.08Å; E154-T228 PolarHBondContact O-OG1 2.82Å; T226-T228 HydrophobicContact CG2-CG2 4.42Å; T228-H232 CarbonylContact C-O 3.49Å; T228-H232 VanDerWaalsContact CA-O 3.22Å; T228-H232 WeakPolarHBondContact CA-O 2.97Å; T228-S233 VanDerWaalsContact CG2-OG 3.26Å; T228-S233 WeakPolarHBondContact CG2-OG 3.38Å |
| 229 | Y | 91.3 | Very high | 92.6 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 139.4 | 179.8 | 52.8 | -92.9 | 0 | 0 | 0 | 110 | P111 I114 Y151 V153 G231 H232 E234 | P111-Y229 HydrophobicContact CB-CE2 4.08Å; I114-Y229 HydrophobicContact CD1-CD1 4.49Å; I114-Y229 HydrophobicContact CD1-CE1 4.31Å; Y151-Y229 AromaticContact CE2-CD2 3.95Å; Y151-Y229 HydrophobicContact CE2-CD2 3.95Å; Y151-Y229 AromaticContact CE2-CG 3.88Å; Y151-Y229 HydrophobicContact CE2-CG 3.88Å; V153-Y229 HydrophobicContact CG1-CD1 4.34Å; V153-Y229 HydrophobicContact CG2-CD1 4.49Å; Y229-G231 PolarHBondContact O-N 3.17Å; Y229-H232 HydrophobicContact CD2-CB 4.47Å; Y229-H232 HydrophobicContact CE2-CB 4.26Å; Y229-H232 PolarHBondContact N-O 3.41Å; Y229-H232 WeakPolarHBondContact O-CA 3.35Å; Y229-H232 WeakPolarHBondContact O-CB 3.37Å; Y229-H232 PolarHBondContact O-N 2.95Å; Y229-E234 HydrophobicContact CE1-CB 4.34Å; Y229-E234 PolarHBondContact OH-OE2 2.92Å |
| 230 | F | 88.7 | Confident | 92.5 | Very high | 129 Ų | 129 | 57.3 Ų | 57.3 | 57% | 0.566 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 32.6 | -179 | -59.3 | -59.4 | 0 | 0 | 0 | 115.1 | L109 Y151 H232 | L109-F230 HydrophobicContact CD2-CE2 4.21Å; L109-F230 HydrophobicContact CD2-CZ 3.8Å; Y151-F230 AromaticContact CD1-CE2 3.56Å; Y151-F230 HydrophobicContact CD1-CE2 3.56Å; Y151-F230 AromaticContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD2-CD2 4.36Å; Y151-F230 AromaticContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CZ 4.18Å; Y151-F230 HydrophobicContact CE1-CD2 4.47Å; Y151-F230 AromaticContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CZ 4.46Å; Y151-F230 HydrophobicContact CE2-CD2 4.12Å; Y151-F230 AromaticContact CE2-CE2 3.77Å; Y151-F230 HydrophobicContact CE2-CE2 3.77Å; Y151-F230 AromaticContact CG-CE2 3.58Å; Y151-F230 HydrophobicContact CG-CE2 3.58Å; Y151-F230 AromaticContact CG-CZ 3.78Å; Y151-F230 HydrophobicContact CG-CZ 3.78Å; Y151-F230 AromaticContact CZ-CE2 3.7Å; F230-H232 PolarHBondContact O-N 2.98Å |
| 231 | G | 84.9 | Confident | 92.4 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 86% | 0.856 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | -3.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y229 | Y229-G231 PolarHBondContact O-N 3.17Š|
| 232 | H | 88.4 | Confident | 92.3 | Very high | 130 Ų | 130 | 63.9 Ų | 63.9 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 146.2 | 167.8 | -69.1 | -78.8 | 0 | 0 | 0 | 110.5 | T228 Y229 F230 | T228-H232 CarbonylContact C-O 3.49Å; T228-H232 VanDerWaalsContact CA-O 3.22Å; T228-H232 WeakPolarHBondContact CA-O 2.97Å; Y229-H232 HydrophobicContact CD2-CB 4.47Å; Y229-H232 HydrophobicContact CE2-CB 4.26Å; Y229-H232 PolarHBondContact N-O 3.41Å; Y229-H232 WeakPolarHBondContact O-CA 3.35Å; Y229-H232 WeakPolarHBondContact O-CB 3.37Å; Y229-H232 PolarHBondContact O-N 2.95Å; F230-H232 PolarHBondContact O-N 2.98Å |
| 233 | S | 91.3 | Very high | 92.1 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.1 | 175 | -57 | 0 | 0 | 0 | 0 | 108.9 | A227 T228 | A227-S233 CarbonylContact O-C 3.51Å; A227-S233 WeakPolarHBondContact O-CA 3.15Å; T228-S233 VanDerWaalsContact CG2-OG 3.26Å; T228-S233 WeakPolarHBondContact CG2-OG 3.38Å |
| 234 | E | 91.4 | Very high | 92 | Very high | 80 Ų | 80 | 69.3 Ų | 69.3 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.4 | -179.9 | -175.1 | 175.1 | -180 | 0 | 0 | 109.3 | T226 A227 Y229 I236 | T226-E234 WeakPolarHBondContact CA-O 3.21Å; A227-E234 PolarHBondContact N-O 3.13Å; A227-E234 PolarHBondContact O-N 3.25Å; Y229-E234 HydrophobicContact CE1-CB 4.34Å; Y229-E234 PolarHBondContact OH-OE2 2.92Å; E234-I236 HydrophobicContact CG-CG1 4.42Å |
| 235 | Q | 93.6 | Very high | 91.9 | Very high | 145 Ų | 145 | 69.1 Ų | 69.1 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.2 | 176.8 | -73.2 | -178.6 | 73.2 | 0 | 0 | 109.9 | T224 I225 T226 | T224-Q235 HydrophobicContact CG2-CB 4.38Å; I225-Q235 CarbonylContact O-C 3.59Å; I225-Q235 VanDerWaalsContact O-CA 3.31Å; I225-Q235 WeakPolarHBondContact O-CA 3.49Å; T226-Q235 HydrophobicContact CG2-CG 4.42Å |
| 236 | I | 93.2 | Very high | 91.8 | Very high | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.5 | -179.1 | -58.3 | 160.9 | 0 | 0 | 0 | 107.2 | I114 V116 T224 I225 E234 | I114-I236 HydrophobicContact CB-CD1 3.67Å; I114-I236 HydrophobicContact CD1-CD1 4.22Å; I114-I236 HydrophobicContact CG2-CD1 4.06Å; V116-I236 HydrophobicContact CB-CG2 4.18Å; V116-I236 HydrophobicContact CG2-CB 4.34Å; V116-I236 HydrophobicContact CG2-CG2 3.76Å; T224-I236 CarbonylContact C-O 3.49Å; T224-I236 WeakPolarHBondContact CA-O 3.31Å; I225-I236 PolarHBondContact N-O 3.4Å; I225-I236 PolarHBondContact O-N 2.82Å; E234-I236 HydrophobicContact CG-CG1 4.42Å |
| 237 | S | 93.4 | Very high | 91.6 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.2 | -179 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | V223 | V223-S237 CarbonylContact O-C 3.59Å; V223-S237 WeakPolarHBondContact O-CA 3.45Å |
| 238 | E | 94 | Very high | 91.1 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 34% | 0.341 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.7 | 176.7 | -179.6 | 67.2 | 172.6 | 0 | 0 | 110 | V116 V223 | V116-E238 HydrophobicContact CG1-CB 4.22Å; V223-E238 PolarHBondContact N-O 3.44Å; V223-E238 PolarHBondContact O-N 3.11Å |
| 239 | E | 93.5 | Very high | 90.6 | Very high | 113 Ų | 113 | 73.8 Ų | 73.8 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132 | 178.9 | -68 | -176.7 | 164.3 | 0 | 0 | 110.6 | M220 T221 H222 | M220-E239 HydrophobicContact CE-CB 3.79Å; M220-E239 HydrophobicContact CE-CG 3.77Å; M220-E239 WeakPolarHBondContact CE-OE2 2.98Å; T221-E239 WeakPolarHBondContact O-CA 3.44Å; H222-E239 HydrophobicContact CB-CG 4.22Å; H222-E239 VanDerWaalsContact CD2-CG 3.44Å; H222-E239 WeakPolarHBondContact CD2-CG 3.27Å; H222-E239 IonicContact CD2-OE1 3.99Å |
| 240 | M | 91.9 | Very high | 89.6 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 42% | 0.424 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 135.1 | 179.6 | -175.6 | 60.1 | 176.4 | 0 | 0 | 111.8 | N118 T221 | N118-M240 HydrophobicContact CB-CB 4.27Å; N118-M240 HydrophobicContact CB-CG 4.46Å; T221-M240 PolarHBondContact N-O 3.22Å; T221-M240 PolarHBondContact O-N 3.48Å |
| 241 | Y | 92.8 | Very high | 88.4 | Confident | 150 Ų | 150 | 72.5 Ų | 72.5 | 59% | 0.588 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.1 | 169.9 | -67.7 | -83.2 | 0 | 0 | 0 | 110.1 | V218 V219 M220 | V218-Y241 HydrophobicContact CG1-CD1 4.15Å; V219-Y241 WeakPolarHBondContact O-CA 3.02Å; M220-Y241 HydrophobicContact CB-CD1 3.91Å; M220-Y241 HydrophobicContact CB-CE1 3.71Å; M220-Y241 HydrophobicContact CG-CD1 4.23Å; M220-Y241 HydrophobicContact CG-CE1 3.85Å; M220-Y241 HydrophobicContact SD-CE1 3.88Å; M220-Y241 PolarHBondContact SD-OH 2.79Å |
| 242 | Q | 91.5 | Very high | 87 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.9 | -178.9 | 58.6 | -174.8 | 6.6 | 0 | 0 | 112.4 | V121 N141 V219 T221 V244 | V121-Q242 HydrophobicContact CG2-CB 4.05Å; V121-Q242 HydrophobicContact CG2-CG 3.97Å; N141-Q242 PolarHBondContact ND2-NE2 3.47Å; N141-Q242 PolarHBondContact OD1-NE2 2.88Å; N141-Q242 PolarHBondContact OD1-OE1 2.81Å; V219-Q242 HydrophobicContact CG2-CG 3.69Å; V219-Q242 PolarHBondContact N-O 3.37Å; V219-Q242 PolarHBondContact O-N 3.33Å; T221-Q242 PolarHBondContact OG1-NE2 3.44Å; Q242-V244 HydrophobicContact CG-CG2 4.41Å |
| 243 | Y | 91.8 | Very high | 85.1 | Confident | 151 Ų | 151 | 69.2 Ų | 69.2 | 59% | 0.592 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.9 | 175.3 | -67.3 | -88.7 | 0 | 0 | 0 | 109.7 | I217 V218 | I217-Y243 WeakPolarHBondContact O-CA 3.09Å; V218-Y243 HydrophobicContact CG2-CD1 3.62Å; V218-Y243 HydrophobicContact CG2-CE1 3.3Å; V218-Y243 HydrophobicContact CG2-CG 4.46Å |
| 244 | V | 92.8 | Very high | 82.9 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.3 | -176.2 | -155 | 0 | 0 | 0 | 0 | 107.7 | V124 I139 N216 I217 V219 Q242 | V124-V244 HydrophobicContact CB-CG1 4.13Å; V124-V244 HydrophobicContact CG1-CG1 3.67Å; V124-V244 HydrophobicContact CG2-CG1 3.36Å; I139-V244 HydrophobicContact CD1-CG1 3.94Å; I139-V244 HydrophobicContact CD1-CG2 4.24Å; I139-V244 HydrophobicContact CG1-CG1 4.05Å; N216-V244 CarbonylContact C-O 3.49Å; N216-V244 WeakPolarHBondContact CA-O 3.32Å; I217-V244 HydrophobicContact CG1-CB 4.18Å; I217-V244 WeakPolarHBondContact CG1-O 3Å; I217-V244 PolarHBondContact N-O 3.49Å; I217-V244 PolarHBondContact O-N 2.99Å; V219-V244 HydrophobicContact CB-CG2 4.26Å; V219-V244 HydrophobicContact CG1-CG2 3.95Å; V219-V244 HydrophobicContact CG2-CG2 3.38Å; Q242-V244 HydrophobicContact CG-CG2 4.41Å |
| 245 | D | 92.3 | Very high | 80.6 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.6 | 173.3 | -171.1 | -3 | 0 | 0 | 0 | 108.9 | H215 G247 T250 | H215-D245 PolarHBondContact N-OD1 2.94Å; D245-G247 PolarHBondContact OD1-N 2.96Å; D245-T250 HydrophobicContact CB-CG2 4.03Å |
| 246 | C | 92.4 | Very high | 78.2 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -92.5 | -0.1 | 176.5 | 71 | 0 | 0 | 0 | 0 | 113.4 | V126 Y128 L137 C207 H215 I217 | V126-C246 WeakPolarHBondContact CG1-O 3.36Å; Y128-C246 PolarHBondContact OH-O 2.76Å; L137-C246 HydrophobicContact CD1-CB 4.28Å; L137-C246 HydrophobicContact CD2-CB 3.98Å; C207-C246 HydrophobicContact CB-CB 3.95Å; C207-C246 WeakPolarHBondContact CB-O 3.13Å; C207-C246 WeakPolarHBondContact CB-SG 3.47Å; C207-C246 WeakPolarHBondContact SG-CB 3.44Å; C207-C246 CovalentContact SG-SG 2.04Å; C207-C246 PolarHBondContact SG-SG 2.69Å; H215-C246 VanDerWaalsContact CB-SG 3.57Å; H215-C246 PolarHBondContact O-N 3.32Å; H215-C246 PolarHBondContact O-SG 2.85Å; I217-C246 HydrophobicContact CD1-CB 4.18Å; I217-C246 HydrophobicContact CG1-CB 4.4Å |
| 247 | G | 89.6 | Confident | 75.8 | Confident | 20 Ų | 20 | 79.8 Ų | 79.8 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -98.1 | -46.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y128 C207 H215 D245 | Y128-G247 WeakPolarHBondContact OH-CA 3.45Å; Y128-G247 PolarHBondContact OH-O 3.35Å; C207-G247 WeakPolarHBondContact O-CA 3.22Å; H215-G247 WeakPolarHBondContact ND1-CA 3.17Å; D245-G247 PolarHBondContact OD1-N 2.96Å |
| 248 | G | 82.1 | Confident | 73 | Confident | 27 Ų | 27 | 86.5 Ų | 86.5 | 28% | 0.278 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -118 | 150.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V126 T250 | V126-G248 WeakPolarHBondContact CG2-O 3.44Å; G248-T250 PolarHBondContact O-N 2.91Å |
| 249 | N | 81.8 | Confident | 70.4 | Confident | 111 Ų | 111 | 88.7 Ų | 88.7 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | trans | -66.3 | 105.3 | 167.1 | -74.1 | -28.5 | 0 | 0 | 0 | 109.2 | V126 | V126-N249 PolarHBondContact N-OD1 2.81Å; V126-N249 PolarHBondContact O-OD1 3.28Å | ||
| 250 | T | 70.8 | Confident | 68.1 | Low | 30 Ų | 30 | 91.2 Ų | 91.2 | 18% | 0.184 | 48% | 0.48 | C | S | . | . | B | Isolated β-bridge | trans | -109.2 | 123 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | V124 D245 G248 | V124-T250 HydrophobicContact CB-CG2 3.87Å; V124-T250 HydrophobicContact CG2-CG2 4.02Å; V124-T250 PolarHBondContact N-O 2.84Å; V124-T250 PolarHBondContact O-N 3.39Å; D245-T250 HydrophobicContact CB-CG2 4.03Å; G248-T250 PolarHBondContact O-N 2.91Å |
| 251 | T | 63.9 | Low | 65.8 | Low | 106 Ų | 106 | 90.1 Ų | 90.1 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -93.2 | 6 | 177.3 | 42.2 | 0 | 0 | 0 | 0 | 114.4 | K122 | K122-T251 CarbonylContact O-C 3.57Š|
| 252 | A | 54.3 | Low | 63.4 | Low | 61 Ų | 61 | 90.2 Ų | 90.2 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | trans | 174.2 | 141.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 253 | I | 48.8 | Very low | 61.5 | Low | 83 Ų | 83 | 95.7 Ų | 95.7 | 43% | 0.426 | 54% | 0.538 | S | S | . | . | trans | -88.3 | 125.1 | 149.3 | -65.5 | 177.1 | 0 | 0 | 0 | 106.5 | G255 | I253-G255 VanDerWaalsContact C-N 3.34Å; I253-G255 PolarHBondContact O-N 3.11Å | ||
| 254 | R | 45.9 | Very low | 59.4 | Low | 230 Ų | 230 | 93.5 Ų | 93.5 | 87% | 0.868 | 55% | 0.552 | S | S | * | * | trans | -57.7 | 97.6 | 166.7 | -75.4 | -178.1 | 176.2 | -178.9 | -1.1 | 108.3 | N256 | R254-N256 PolarHBondContact O-N 3.12Š| ||
| 255 | G | 41.9 | Very low | 57 | Low | 63 Ų | 63 | 106.2 Ų | 106.2 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | trans | -58.3 | 103.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I253 T257 | I253-G255 VanDerWaalsContact C-N 3.34Å; I253-G255 PolarHBondContact O-N 3.11Å; G255-T257 PolarHBondContact O-N 2.91Å | ||
| 256 | N | 43.3 | Very low | 55.2 | Low | 136 Ų | 136 | 110.7 Ų | 110.7 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -68 | 83.4 | 170.3 | -113.1 | 18.6 | 0 | 0 | 0 | 107.5 | R254 R258 | R254-N256 PolarHBondContact O-N 3.12Å; N256-R258 PolarHBondContact O-N 3.24Å | ||
| 257 | T | 42.7 | Very low | 53.3 | Low | 133 Ų | 133 | 116.5 Ų | 116.5 | 82% | 0.816 | 67% | 0.671 | S | S | * | * | trans | -65.4 | 90.9 | 154.6 | 30.5 | 0 | 0 | 0 | 0 | 106.6 | G255 P259 | G255-T257 PolarHBondContact O-N 2.91Å; T257-P259 WeakPolarHBondContact O-CD 3.49Å | ||
| 258 | R | 34.7 | Very low | 51.3 | Low | 213 Ų | 213 | 121.8 Ų | 121.8 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -66.5 | 116.3 | 160.5 | -77 | -176.1 | 176 | 178.4 | -0 | 106.3 | N256 I260 | N256-R258 PolarHBondContact O-N 3.24Å; R258-I260 PolarHBondContact O-N 3.4Å | ||
| 259 | P | 40.1 | Very low | 49.4 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | -63.6 | 126.7 | 161.8 | 26.9 | -29.3 | 0 | 0 | 0 | 106.8 | T257 G261 | T257-P259 WeakPolarHBondContact O-CD 3.49Å; P259-G261 PolarHBondContact O-N 3.25Å | ||
| 260 | I | 45.6 | Very low | 47.4 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | -57.8 | 105.9 | 167.1 | -66.6 | 173.2 | 0 | 0 | 0 | 105.6 | R258 N262 | R258-I260 PolarHBondContact O-N 3.4Å; I260-N262 PolarHBondContact O-N 3.07Å | ||
| 261 | G | 42.7 | Very low | 45.9 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P259 | P259-G261 PolarHBondContact O-N 3.25Š|
| 262 | N | 41.5 | Very low | 44.6 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 140.5 | 168.9 | -72.6 | -17.3 | 0 | 0 | 0 | 109.8 | I260 A264 | I260-N262 PolarHBondContact O-N 3.07Å; N262-A264 PolarHBondContact O-N 3.04Å |
| 263 | P | 52.3 | Low | 43.8 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 128.9 | 166.7 | 26.3 | -29.7 | 0 | 0 | 0 | 108.5 | ||
| 264 | A | 47.4 | Very low | 43.4 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | N262 | N262-A264 PolarHBondContact O-N 3.04Š|
| 265 | E | 42.9 | Very low | 43.2 | Very low | 267 Ų | 267 | 140.5 Ų | 140.5 | 100% | 1.248 | 82% | 0.821 | S | S | * | * | trans | -107.2 | 0 | 158.3 | -158 | 176.3 | 174.6 | 0 | 0 | 107.7 |
Retrieved 265 of 265 residues in 39.6 ms
(Link to these results)