| 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 | 39.4 | Very low | 42.6 | Very low | 234 Ų | 234 | 163.4 Ų | 163.4 | 100% | 1.153 | 82% | 0.819 | S | S | * | * | 0 | 86.8 | 0 | -64.4 | -176.2 | -172.2 | 0 | 0 | 105.7 | |||||
| 2 | S | 41.4 | Very low | 42.2 | Very low | 89 Ų | 89 | 158 Ų | 158 | 62% | 0.622 | 81% | 0.808 | S | S | * | * | 69.2 | 102.5 | 88.5 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3 | E | 44.5 | Very low | 41.9 | Very low | 190 Ų | 190 | 159.6 Ų | 159.6 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | 95.9 | 141.3 | 103.5 | -84.6 | 173.9 | 121.9 | 0 | 0 | 110 | |||||
| 4 | A | 46.9 | Very low | 41.8 | Very low | 77 Ų | 77 | 159.9 Ų | 159.9 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | cis | -163.4 | 136.8 | -3.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 5 | E | 49.7 | Very low | 41.2 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | 60.2 | 121.1 | 129.6 | -64.7 | -175.2 | 139.1 | 0 | 0 | 124.3 | |||||
| 6 | Q | 47.4 | Very low | 41.1 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -70.6 | 142.5 | 144.6 | -62.8 | 163.4 | -16 | 0 | 0 | 111 | ||||
| 7 | Q | 41.3 | Very low | 40.9 | Very low | 158 Ų | 158 | 154 Ų | 154 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -162.2 | 115.1 | 153.5 | -108.7 | 172.4 | 14.6 | 0 | 0 | 108.8 | ||||
| 8 | Y | 37.5 | Very low | 40.9 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | 57.9 | 115.9 | 93 | -82.1 | -83.7 | 0 | 0 | 0 | 115.6 | |||||
| 9 | M | 39.3 | Very low | 40.9 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | -173.5 | 128.8 | 114.8 | -108.6 | -174.1 | -102.6 | 0 | 0 | 112.8 | |||||
| 10 | E | 41.7 | Very low | 40.7 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -92.2 | 138.4 | 165.2 | -178 | 178.9 | -168.3 | 0 | 0 | 107.3 | ||||
| 11 | T | 39.3 | Very low | 40.6 | Very low | 122 Ų | 122 | 151 Ų | 151 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -147.2 | 117.8 | 160.2 | 44.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | S | 38.1 | Very low | 40.5 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 24.6 | 128.9 | 140.9 | 59.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 13 | E | 38.6 | Very low | 40.5 | Very low | 179 Ų | 179 | 152.7 Ų | 152.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | 74.2 | 144.3 | 70.5 | -128.1 | -178 | 168.6 | 0 | 0 | 115.5 | |||||
| 14 | N | 39.6 | Very low | 39.9 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 102.1 | 119 | -176.6 | -57.6 | -25.2 | 0 | 0 | 0 | 114.1 | ||||
| 15 | G | 33.4 | Very low | 39.3 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | 110.4 | 105.4 | 15.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 16 | H | 39.8 | Very low | 38.4 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 176.8 | 109.9 | 150.9 | -126.6 | 12.5 | 0 | 0 | 0 | 108.9 | ||||
| 17 | E | 37.5 | Very low | 37.9 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | 66.5 | 110.5 | 100.4 | -69.1 | 172.8 | -141.5 | 0 | 0 | 112.3 | |||||
| 18 | A | 41 | Very low | 37.6 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | 51.1 | 138.8 | 84.2 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 19 | E | 40.5 | Very low | 37.3 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | -167.1 | 160.8 | 28.1 | 0.7 | -157.1 | 137.3 | 0 | 0 | 108.4 | ||||
| 20 | D | 36.8 | Very low | 37 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 41.9 | 126.1 | 147.3 | -57.8 | -28.3 | 0 | 0 | 0 | 122.8 | ||||
| 21 | D | 39.9 | Very low | 36.7 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | -149 | 123.4 | 122.9 | -105.2 | -37.1 | 0 | 0 | 0 | 112.4 | |||||
| 22 | F | 36 | Very low | 36.4 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -81.9 | 136.4 | 175.9 | -147.8 | -102.9 | 0 | 0 | 0 | 108 | ||||
| 23 | N | 41.6 | Very low | 36.2 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -146.5 | 116.6 | 144.5 | -145.3 | 2.7 | 0 | 0 | 0 | 111.2 | ||||
| 24 | G | 32.2 | Very low | 35.9 | Very low | 58 Ų | 58 | 128.2 Ų | 128.2 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | trans | -102 | -176.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 25 | G | 33.3 | Very low | 35.6 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 141 | 99.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 26 | G | 31.3 | Very low | 35.5 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | 72.4 | 118.9 | 58.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 27 | N | 37.4 | Very low | 35.2 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | cis | -175.3 | 142.8 | 47.3 | -159.6 | 35 | 0 | 0 | 0 | 106.5 | ||||
| 28 | D | 34 | Very low | 34.9 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 66.1 | 126.2 | 110.9 | 175.2 | -4.5 | 0 | 0 | 0 | 115.5 | |||||
| 29 | G | 32.2 | Very low | 34.5 | Very low | 62 Ų | 62 | 125.5 Ų | 125.5 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | cis | 170.5 | 173.9 | 12.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | S | 32.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 40.1 | 126.1 | 151.4 | 55.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 31 | A | 35.4 | Very low | 34.1 | Very low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | 93.7 | 119.4 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 32 | E | 33.3 | Very low | 34.3 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | 87.2 | 116.9 | 132.9 | -67.8 | 179.5 | 179.7 | 0 | 0 | 122.5 | ||||
| 33 | N | 34.8 | Very low | 34.7 | Very low | 151 Ų | 151 | 117.8 Ų | 117.8 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 40.4 | 119 | 135.9 | -57.9 | -30.8 | 0 | 0 | 0 | 120.6 | ||||
| 34 | D | 31.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 118 Ų | 118 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | -158.7 | 144 | 126.2 | -162.6 | 43.2 | 0 | 0 | 0 | 111.8 | |||||
| 35 | C | 33.4 | Very low | 34.6 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -107.4 | 137.4 | -178.7 | 43.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 36 | G | 32 | Very low | 34.6 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -163.1 | 121.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 37 | E | 31.8 | Very low | 34.9 | Very low | 201 Ų | 201 | 123 Ų | 123 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -53.4 | 164.3 | 177.8 | -62.5 | 140.9 | 112.4 | 0 | 0 | 114 | ||||
| 38 | G | 31.2 | Very low | 35.1 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | 165.1 | 174.8 | 9.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 39 | A | 33.8 | Very low | 35.8 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | 89.5 | 82.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 40 | G | 31.6 | Very low | 36.3 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | 64.2 | 109.7 | 109.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 41 | T | 36.6 | Very low | 36.6 | Very low | 148 Ų | 148 | 121 Ų | 121 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | -154.3 | 129 | 122.9 | 38.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 42 | D | 44.1 | Very low | 37.2 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 168.5 | -175.9 | -85.3 | -53.4 | 0 | 0 | 0 | 115.8 | ||||
| 43 | P | 44.7 | Very low | 38.2 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -99.1 | 140.2 | -152.3 | 36.7 | -29.9 | 0 | 0 | 0 | 113 | ||||
| 44 | D | 34.8 | Very low | 38.9 | Very low | 169 Ų | 169 | 116.2 Ų | 116.2 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | trans | -99.5 | 109.7 | 163.8 | -133.5 | -41.2 | 0 | 0 | 0 | 109 | ||||
| 45 | G | 36.1 | Very low | 39.8 | Very low | 63 Ų | 63 | 111.1 Ų | 111.1 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | trans | -76.5 | 136.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 46 | N | 34.4 | Very low | 40.5 | Very low | 143 Ų | 143 | 110 Ų | 110 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | -146.5 | 73.8 | 145.3 | -157.5 | 10.6 | 0 | 0 | 0 | 109.5 | Q48 | N46-Q48 VanDerWaalsContact C-N 3.3Å; N46-Q48 PolarHBondContact O-N 2.9Å | ||
| 47 | S | 38.2 | Very low | 41.2 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 93.8 | 164.7 | -60.3 | 0 | 0 | 0 | 0 | 108.6 | D49 | S47-D49 PolarHBondContact O-N 2.94Š| ||
| 48 | Q | 41.1 | Very low | 42.2 | Very low | 184 Ų | 184 | 107.5 Ų | 107.5 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | trans | -66.9 | 75.5 | 155.9 | -82.2 | 176.5 | -36.9 | 0 | 0 | 108.5 | N46 | N46-Q48 VanDerWaalsContact C-N 3.3Å; N46-Q48 PolarHBondContact O-N 2.9Å | ||
| 49 | D | 48.4 | Very low | 43 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | -115.9 | 90.5 | 164.6 | -172.1 | 47 | 0 | 0 | 0 | 109.4 | S47 K76 | S47-D49 PolarHBondContact O-N 2.94Å; D49-K76 IonicContact OD2-NZ 2.74Å | ||
| 50 | G | 43.4 | Very low | 43.9 | Very low | 64 Ų | 64 | 114 Ų | 114 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | trans | -155.1 | 49 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q52 | G50-Q52 PolarHBondContact O-N 3.32Å; G50-Q52 VanDerWaalsContact O-N 3.08Å | ||
| 51 | G | 38 | Very low | 45.3 | Very low | 43 Ų | 43 | 113.1 Ų | 113.1 | 44% | 0.443 | 67% | 0.665 | S | S | . | * | trans | -50.9 | 115.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I53 | G51-I53 PolarHBondContact O-N 3.29Å; G51-I53 VanDerWaalsContact O-N 3.12Å | ||
| 52 | Q | 49.1 | Very low | 46.7 | Very low | 171 Ų | 171 | 109 Ų | 109 | 80% | 0.799 | 65% | 0.646 | S | S | * | * | trans | -71.8 | 103.9 | 174.9 | -159.5 | 171.7 | -2.2 | 0 | 0 | 106 | G50 D54 | G50-Q52 PolarHBondContact O-N 3.32Å; G50-Q52 VanDerWaalsContact O-N 3.08Å; Q52-D54 VanDerWaalsContact C-N 3.27Å; Q52-D54 PolarHBondContact O-N 3.25Å | ||
| 53 | I | 52.5 | Low | 48.1 | Very low | 31 Ų | 31 | 101.5 Ų | 101.5 | 16% | 0.159 | 61% | 0.607 | C | S | . | * | trans | -61.4 | 94.4 | 171.1 | 48.3 | 171.6 | 0 | 0 | 0 | 109.4 | G51 A55 D91 T93 F108 | G51-I53 PolarHBondContact O-N 3.29Å; G51-I53 VanDerWaalsContact O-N 3.12Å; I53-A55 PolarHBondContact O-N 3.39Å; I53-D91 HydrophobicContact CG2-CB 3.96Å; I53-D91 WeakPolarHBondContact CG2-OD2 3.38Å; I53-T93 HydrophobicContact CD1-CG2 4.22Å; I53-T93 WeakPolarHBondContact CD1-OG1 3.27Å; I53-T93 HydrophobicContact CG1-CG2 4.29Å; I53-T93 WeakPolarHBondContact CG1-OG1 3.15Å; I53-F108 HydrophobicContact CD1-CB 3.69Å; I53-F108 HydrophobicContact CD1-CG 4.44Å | ||
| 54 | D | 49.9 | Very low | 50.1 | Low | 103 Ų | 103 | 96.9 Ų | 96.9 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | trans | -66.1 | 100.9 | 170.3 | -96.4 | -36.9 | 0 | 0 | 0 | 107.8 | Q52 S56 | Q52-D54 VanDerWaalsContact C-N 3.27Å; Q52-D54 PolarHBondContact O-N 3.25Å; D54-S56 PolarHBondContact O-N 2.58Å | ||
| 55 | A | 50.4 | Low | 52.6 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 21.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I53 K64 | I53-A55 PolarHBondContact O-N 3.39Å; A55-K64 VanDerWaalsContact CB-NZ 3.31Å |
| 56 | S | 49.4 | Very low | 55.1 | Low | 92 Ų | 92 | 88.8 Ų | 88.8 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | -3.8 | -171.8 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | D54 | D54-S56 PolarHBondContact O-N 2.58Š|
| 57 | K | 45.7 | Very low | 57.8 | Low | 161 Ų | 161 | 82 Ų | 82 | 70% | 0.7 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -97.1 | 113.9 | 170.2 | -82.9 | -175.4 | 175.1 | 178.7 | 0 | 109.6 | ||
| 58 | G | 52.5 | Low | 60.2 | Low | 60 Ų | 60 | 76.9 Ų | 76.9 | 62% | 0.619 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 161.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 59 | E | 48.4 | Very low | 62.5 | Low | 196 Ų | 196 | 69.5 Ų | 69.5 | 92% | 0.916 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -21.5 | -173.4 | -65.1 | -172.8 | 141 | 0 | 0 | 117.3 | ||
| 60 | E | 52 | Low | 64.4 | Low | 121 Ų | 121 | 63.6 Ų | 63.6 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.5 | 176.5 | -63.1 | -175.4 | -162.5 | 0 | 0 | 114.7 | A62 L110 | E60-A62 PolarHBondContact O-N 3.02Å; E60-L110 HydrophobicContact CB-CD1 4.23Å; E60-L110 WeakPolarHBondContact O-CD1 3.32Å; E60-L110 VanDerWaalsContact OE2-CD2 3.29Å; E60-L110 WeakPolarHBondContact OE2-CD2 3.29Å |
| 61 | D | 62 | Low | 66.6 | Low | 55 Ų | 55 | 61.6 Ų | 61.6 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -27 | -177 | -80.5 | -13.7 | 0 | 0 | 0 | 113.5 | K64 A140 | D61-K64 PolarHBondContact O-N 3.08Å; D61-A140 WeakPolarHBondContact OD1-CB 3.31Å; D61-A140 VanDerWaalsContact OD2-CB 3.24Å; D61-A140 WeakPolarHBondContact OD2-CB 3.48Å |
| 62 | A | 65.7 | Low | 68.9 | Low | 61 Ų | 61 | 65.4 Ų | 65.4 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E60 | E60-A62 PolarHBondContact O-N 3.02Š|
| 63 | G | 74 | Confident | 70.7 | Confident | 7 Ų | 7 | 64 Ų | 64 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F111 | G63-F111 PolarHBondContact O-N 3.04Š|
| 64 | K | 85.8 | Confident | 72.3 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131.5 | -173.1 | -161.9 | 177.5 | -171.8 | 159.9 | 0 | 112.3 | A55 D61 I109 L110 A138 | A55-K64 VanDerWaalsContact CB-NZ 3.31Å; D61-K64 PolarHBondContact O-N 3.08Å; K64-I109 CarbonylContact C-O 3.59Å; K64-I109 WeakPolarHBondContact CA-O 3.22Å; K64-L110 HydrophobicContact CB-CD1 4.08Å; K64-A138 HydrophobicContact CB-CB 3.88Å; K64-A138 HydrophobicContact CD-CB 4.04Å; K64-A138 HydrophobicContact CG-CB 3.61Å; K64-A138 VanDerWaalsContact O-CB 3.24Å; K64-A138 WeakPolarHBondContact O-CB 3.5Å; K64-A138 PolarHBondContact O-N 2.81Å |
| 65 | M | 87.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.7 | -179 | -78 | -70.5 | -87.4 | 0 | 0 | 111 | F108 I109 F111 V117 V120 L121 P135 R137 | M65-F108 CarbonylContact O-C 3.57Å; M65-F108 VanDerWaalsContact O-CA 3.22Å; M65-F108 WeakPolarHBondContact O-CA 3.41Å; M65-I109 HydrophobicContact CB-CB 4.45Å; M65-I109 PolarHBondContact N-O 3.01Å; M65-I109 PolarHBondContact O-N 2.97Å; M65-F111 HydrophobicContact CG-CD2 4.27Å; M65-F111 HydrophobicContact CG-CE2 4.2Å; M65-V117 HydrophobicContact CE-CG1 4Å; M65-V117 HydrophobicContact CG-CB 4.11Å; M65-V117 HydrophobicContact CG-CG1 3.74Å; M65-V117 HydrophobicContact CG-CG2 3.56Å; M65-V117 HydrophobicContact SD-CB 4.23Å; M65-V117 HydrophobicContact SD-CG1 3.25Å; M65-V117 WeakPolarHBondContact SD-CG1 3.43Å; M65-V117 HydrophobicContact SD-CG2 4.28Å; M65-V120 HydrophobicContact CE-CB 4.25Å; M65-V120 HydrophobicContact CE-CG1 3.79Å; M65-L121 HydrophobicContact CE-CD1 4.48Å; M65-L121 HydrophobicContact CE-CD2 3.81Å; M65-L121 HydrophobicContact CE-CG 3.89Å; M65-P135 HydrophobicContact CE-CB 3.8Å; M65-R137 WeakPolarHBondContact SD-CA 3.25Å; M65-R137 HydrophobicContact SD-CB 4.5Å; M65-R137 HydrophobicContact SD-CG 4.31Å; M65-R137 PolarHBondContact SD-N 3.38Å |
| 66 | F | 89.6 | Confident | 75.9 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 27% | 0.268 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133 | 166.4 | 170.1 | -92.7 | 0 | 0 | 0 | 108.3 | F106 F108 P135 K136 A138 | F66-F106 HydrophobicContact CD2-CD2 4.45Å; F66-F106 HydrophobicContact CE2-CB 3.86Å; F66-F106 AromaticContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CE2 4.41Å; F66-F106 AromaticContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CZ-CB 3.84Å; F66-F106 HydrophobicContact CZ-CD2 4.36Å; F66-F106 HydrophobicContact CZ-CG 4.29Å; F66-F108 HydrophobicContact CB-CD1 4.31Å; F66-F108 HydrophobicContact CB-CE1 4.17Å; F66-F108 HydrophobicContact CD2-CD1 4.35Å; F66-F108 AromaticContact CD2-CE1 3.77Å; F66-F108 HydrophobicContact CD2-CE1 3.77Å; F66-F108 AromaticContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CG-CE1 4.48Å; F66-P135 CarbonylContact O-C 3.59Å; F66-P135 VanDerWaalsContact O-CA 3.3Å; F66-P135 WeakPolarHBondContact O-CA 3.3Å; F66-K136 HydrophobicContact CD1-CB 4.35Å; F66-K136 PolarHBondContact N-O 3.38Å; F66-K136 PolarHBondContact O-N 3.33Å; F66-K136 VanDerWaalsContact O-O 3.08Å; F66-A138 HydrophobicContact CB-CB 4.47Å |
| 67 | V | 89.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 108.7 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | L70 F83 F106 G107 I109 I133 P135 | V67-L70 HydrophobicContact CB-CD2 4.5Å; V67-L70 HydrophobicContact CG1-CD2 3.63Å; V67-L70 HydrophobicContact CG1-CG 4.21Å; V67-F83 HydrophobicContact CB-CZ 4.39Å; V67-F83 HydrophobicContact CG1-CE2 3.99Å; V67-F83 HydrophobicContact CG1-CZ 3.8Å; V67-F83 HydrophobicContact CG2-CE1 4.38Å; V67-F83 HydrophobicContact CG2-CE2 3.9Å; V67-F83 HydrophobicContact CG2-CZ 3.62Å; V67-F106 CarbonylContact O-C 3.43Å; V67-F106 VanDerWaalsContact O-CA 3.23Å; V67-F106 WeakPolarHBondContact O-CA 3.39Å; V67-G107 PolarHBondContact N-O 2.85Å; V67-G107 PolarHBondContact O-N 3.45Å; V67-I109 HydrophobicContact CG2-CD1 3.63Å; V67-I109 HydrophobicContact CG2-CG1 3.93Å; V67-I133 HydrophobicContact CG1-CB 4.11Å; V67-I133 HydrophobicContact CG1-CD1 3.98Å; V67-I133 HydrophobicContact CG1-CG1 4.35Å; V67-P135 HydrophobicContact CG2-CB 4.45Å |
| 68 | G | 90.2 | Very high | 79.9 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 9% | 0.093 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 162.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L70 I133 D134 | G68-L70 VanDerWaalsContact C-N 3.35Å; G68-I133 CarbonylContact O-C 3.55Å; G68-I133 VanDerWaalsContact O-CA 3.29Å; G68-I133 WeakPolarHBondContact O-CA 3.46Å; G68-D134 PolarHBondContact N-O 2.63Å; G68-D134 PolarHBondContact O-N 2.95Å |
| 69 | G | 88.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 78.7 | 16.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | G105 R131 | G69-G105 PolarHBondContact N-O 3.37Å; G69-R131 WeakPolarHBondContact O-CD 3.39Å; G69-R131 WeakPolarHBondContact O-CG 3.2Å; G69-R131 PolarHBondContact O-NE 3.22Å |
| 70 | L | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -61.6 | 150.2 | 175 | -59.3 | 177.7 | 0 | 0 | 0 | 110.9 | V67 G68 T74 L79 I94 G105 L128 I133 | V67-L70 HydrophobicContact CB-CD2 4.5Å; V67-L70 HydrophobicContact CG1-CD2 3.63Å; V67-L70 HydrophobicContact CG1-CG 4.21Å; G68-L70 VanDerWaalsContact C-N 3.35Å; L70-T74 HydrophobicContact CD2-CG2 4.38Å; L70-L79 HydrophobicContact CD1-CD1 3.52Å; L70-L79 HydrophobicContact CD2-CD1 3.41Å; L70-L79 VanDerWaalsContact CD2-CD1 3.41Å; L70-L79 HydrophobicContact CG-CD1 4.11Å; L70-I94 HydrophobicContact CD1-CG1 4.49Å; L70-G105 PolarHBondContact N-O 3Å; L70-G105 WeakPolarHBondContact O-CA 3.4Å; L70-L128 HydrophobicContact CD2-CD2 4.08Å; L70-I133 HydrophobicContact CD2-CB 4.46Å; L70-I133 HydrophobicContact CD2-CG2 3.84Å | ||
| 71 | S | 88.5 | Confident | 85.4 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | trans | -66.6 | 157.8 | 169.4 | -164.9 | 0 | 0 | 0 | 0 | 110 | D73 T74 | S71-D73 PolarHBondContact O-N 3.32Å; S71-T74 WeakPolarHBondContact CA-OG1 3.24Å; S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.41Å; S71-T74 PolarHBondContact N-OG1 3.26Å; S71-T74 VanDerWaalsContact N-OG1 3.12Å; S71-T74 PolarHBondContact O-N 3.12Å; S71-T74 PolarHBondContact O-OG1 3.16Å | ||
| 72 | W | 87.2 | Confident | 86.7 | Confident | 124 Ų | 124 | 47.9 Ų | 47.9 | 47% | 0.47 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.8 | 176.2 | -64 | -40.7 | 0 | 0 | 0 | 112.4 | S103 | W72-S103 VanDerWaalsContact CD1-O 3.32Å; W72-S103 VanDerWaalsContact O-CB 3.3Å; W72-S103 WeakPolarHBondContact O-CB 3.3Å |
| 73 | D | 86 | Confident | 87.8 | Confident | 141 Ų | 141 | 45 Ų | 45 | 75% | 0.754 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -3.4 | -178.6 | -50.6 | -52.3 | 0 | 0 | 0 | 112.5 | S71 S75 | S71-D73 PolarHBondContact O-N 3.32Å; D73-S75 PolarHBondContact O-N 3.08Å |
| 74 | T | 86.1 | Confident | 88.5 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | trans | -64.2 | 125.7 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 110 | L70 S71 D78 L79 I94 L128 D129 | L70-T74 HydrophobicContact CD2-CG2 4.38Å; S71-T74 WeakPolarHBondContact CA-OG1 3.24Å; S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.41Å; S71-T74 PolarHBondContact N-OG1 3.26Å; S71-T74 VanDerWaalsContact N-OG1 3.12Å; S71-T74 PolarHBondContact O-N 3.12Å; S71-T74 PolarHBondContact O-OG1 3.16Å; T74-D78 HydrophobicContact CG2-CB 4.42Å; T74-L79 HydrophobicContact CG2-CD1 4.41Å; T74-I94 HydrophobicContact CG2-CD1 4.38Å; T74-I94 WeakPolarHBondContact O-CD1 2.92Å; T74-L128 HydrophobicContact CG2-CD2 3.48Å; T74-L128 VanDerWaalsContact CG2-CD2 3.48Å; T74-L128 HydrophobicContact CG2-CG 4.45Å; T74-D129 WeakPolarHBondContact CB-OD2 3.24Å; T74-D129 PolarHBondContact OG1-OD2 3.42Å | ||
| 75 | S | 88.4 | Confident | 88.7 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | trans | -95.4 | 165.4 | 178.2 | 78.3 | 0 | 0 | 0 | 0 | 112.9 | D73 K77 D78 L79 | D73-S75 PolarHBondContact O-N 3.08Å; S75-K77 PolarHBondContact O-N 3.21Å; S75-K77 PolarHBondContact OG-N 3.38Å; S75-D78 VanDerWaalsContact CB-OD2 3.29Å; S75-D78 WeakPolarHBondContact CB-OD2 3.31Å; S75-D78 PolarHBondContact N-OD2 2.78Å; S75-D78 PolarHBondContact O-N 3.2Å; S75-D78 PolarHBondContact OG-N 2.98Å; S75-D78 PolarHBondContact OG-OD2 2.97Å; S75-L79 PolarHBondContact O-N 2.85Å; S75-L79 VanDerWaalsContact O-N 3.16Å | ||
| 76 | K | 88.4 | Confident | 88.7 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 29% | 0.291 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.5 | -36.1 | 173.4 | -177.3 | 179.1 | 172.5 | 169 | 0 | 110.9 | D49 K80 D91 C92 | D49-K76 IonicContact OD2-NZ 2.74Å; K76-K80 WeakPolarHBondContact O-CB 3.27Å; K76-K80 PolarHBondContact O-N 3.08Å; K76-D91 IonicContact NZ-OD1 3.9Å; K76-D91 PolarHBondContact NZ-OD1 3.03Å; K76-C92 VanDerWaalsContact CD-O 3.24Å; K76-C92 WeakPolarHBondContact CD-O 3.25Å; K76-C92 WeakPolarHBondContact CE-O 3.23Å; K76-C92 WeakPolarHBondContact CE-SG 3.45Å; K76-C92 HydrophobicContact CG-CB 4.18Å; K76-C92 WeakPolarHBondContact CG-SG 3.49Å; K76-C92 PolarHBondContact NZ-O 3.44Å |
| 77 | K | 89.6 | Confident | 88.5 | Confident | 143 Ų | 143 | 53.1 Ų | 53.1 | 62% | 0.622 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.7 | -49.3 | -179.7 | -172.7 | -178.8 | 176.6 | -175.4 | 0 | 111.7 | S75 L79 K80 D81 | S75-K77 PolarHBondContact O-N 3.21Å; S75-K77 PolarHBondContact OG-N 3.38Å; K77-L79 VanDerWaalsContact C-N 3.25Å; K77-L79 PolarHBondContact O-N 3.43Å; K77-K80 WeakPolarHBondContact O-CB 3.23Å; K77-K80 PolarHBondContact O-N 3Å; K77-K80 VanDerWaalsContact O-N 3.08Å; K77-D81 WeakPolarHBondContact O-CB 3.01Å; K77-D81 VanDerWaalsContact O-CG 3.25Å; K77-D81 PolarHBondContact O-N 3.29Å |
| 78 | D | 89.6 | Confident | 88.5 | Confident | 59 Ų | 59 | 58.4 Ų | 58.4 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | -179.6 | -51.3 | -47.6 | 0 | 0 | 0 | 111.3 | T74 S75 Y82 | T74-D78 HydrophobicContact CG2-CB 4.42Å; S75-D78 VanDerWaalsContact CB-OD2 3.29Å; S75-D78 WeakPolarHBondContact CB-OD2 3.31Å; S75-D78 PolarHBondContact N-OD2 2.78Å; S75-D78 PolarHBondContact O-N 3.2Å; S75-D78 PolarHBondContact OG-N 2.98Å; S75-D78 PolarHBondContact OG-OD2 2.97Å; D78-Y82 VanDerWaalsContact O-CB 3.31Å; D78-Y82 WeakPolarHBondContact O-CB 3.27Å; D78-Y82 PolarHBondContact O-N 3.22Å |
| 79 | L | 88.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 173.9 | -159.9 | 100.3 | 0 | 0 | 0 | 110.6 | L70 T74 S75 K77 Y82 F83 C92 I109 L128 | L70-L79 HydrophobicContact CD1-CD1 3.52Å; L70-L79 HydrophobicContact CD2-CD1 3.41Å; L70-L79 VanDerWaalsContact CD2-CD1 3.41Å; L70-L79 HydrophobicContact CG-CD1 4.11Å; T74-L79 HydrophobicContact CG2-CD1 4.41Å; S75-L79 PolarHBondContact O-N 2.85Å; S75-L79 VanDerWaalsContact O-N 3.16Å; K77-L79 VanDerWaalsContact C-N 3.25Å; K77-L79 PolarHBondContact O-N 3.43Å; L79-Y82 PolarHBondContact O-N 3.27Å; L79-F83 HydrophobicContact CD1-CE2 4.21Å; L79-F83 HydrophobicContact CG-CD2 4.05Å; L79-F83 HydrophobicContact CG-CE2 4.15Å; L79-F83 VanDerWaalsContact O-CD2 3.23Å; L79-F83 WeakPolarHBondContact O-CD2 3.36Å; L79-F83 PolarHBondContact O-N 2.95Å; L79-C92 HydrophobicContact CD2-CB 3.76Å; L79-I109 HydrophobicContact CD1-CD1 4.41Å; L79-I109 HydrophobicContact CD2-CD1 3.39Å; L79-I109 HydrophobicContact CD2-CG1 3.35Å; L79-I109 HydrophobicContact CG-CD1 3.68Å; L79-I109 HydrophobicContact CG-CG1 4.21Å; L79-L128 HydrophobicContact CD1-CD2 4.33Å |
| 80 | K | 89.6 | Confident | 88.4 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.6 | -51.7 | 178.3 | -168.8 | 174.1 | -178.6 | 174.1 | 0 | 111.1 | K76 K77 Y82 F83 S84 V89 | K76-K80 WeakPolarHBondContact O-CB 3.27Å; K76-K80 PolarHBondContact O-N 3.08Å; K77-K80 WeakPolarHBondContact O-CB 3.23Å; K77-K80 PolarHBondContact O-N 3Å; K77-K80 VanDerWaalsContact O-N 3.08Å; K80-Y82 VanDerWaalsContact C-N 3.28Å; K80-Y82 PolarHBondContact O-N 2.95Å; K80-F83 PolarHBondContact O-N 2.69Å; K80-S84 VanDerWaalsContact O-CB 3.27Å; K80-S84 WeakPolarHBondContact O-CB 3.49Å; K80-S84 PolarHBondContact O-N 3.08Å; K80-S84 PolarHBondContact O-OG 3.35Å; K80-V89 HydrophobicContact CG-CB 4.17Å; K80-V89 HydrophobicContact CG-CG1 4.24Å |
| 81 | D | 90.3 | Very high | 88.2 | Confident | 88 Ų | 88 | 62.1 Ų | 62.1 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | -177.6 | -67.9 | -11.8 | 0 | 0 | 0 | 112 | K77 | K77-D81 WeakPolarHBondContact O-CB 3.01Å; K77-D81 VanDerWaalsContact O-CG 3.25Å; K77-D81 PolarHBondContact O-N 3.29Å |
| 82 | Y | 89.5 | Confident | 88.2 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.8 | -49.2 | 175.5 | -177.3 | -96.9 | 0 | 0 | 0 | 112.4 | D78 L79 K80 S84 K85 F86 H126 R127 L128 I133 | D78-Y82 VanDerWaalsContact O-CB 3.31Å; D78-Y82 WeakPolarHBondContact O-CB 3.27Å; D78-Y82 PolarHBondContact O-N 3.22Å; L79-Y82 PolarHBondContact O-N 3.27Å; K80-Y82 VanDerWaalsContact C-N 3.28Å; K80-Y82 PolarHBondContact O-N 2.95Å; Y82-S84 VanDerWaalsContact C-N 3.33Å; Y82-K85 WeakPolarHBondContact O-CB 3.23Å; Y82-K85 WeakPolarHBondContact O-CG 3.45Å; Y82-K85 PolarHBondContact O-N 2.84Å; Y82-F86 HydrophobicContact CD1-CE2 4.48Å; Y82-F86 HydrophobicContact CE1-CE2 4.04Å; Y82-H126 HydrophobicContact CE1-CB 4.27Å; Y82-H126 AromaticContact CE1-ND1 3.78Å; Y82-H126 AromaticContact CZ-ND1 3.92Å; Y82-H126 WeakPolarHBondContact OH-CA 3.47Å; Y82-H126 WeakPolarHBondContact OH-CB 3.49Å; Y82-H126 PolarHBondContact OH-ND1 2.79Å; Y82-H126 VanDerWaalsContact OH-ND1 3.15Å; Y82-R127 VanDerWaalsContact CE2-O 3.27Å; Y82-R127 WeakPolarHBondContact CE2-O 3.36Å; Y82-R127 PolarHBondContact OH-N 3.32Å; Y82-L128 HydrophobicContact CD2-CD1 3.8Å; Y82-L128 HydrophobicContact CG-CD1 3.74Å; Y82-I133 HydrophobicContact CD1-CD1 4.18Å; Y82-I133 HydrophobicContact CE1-CD1 3.82Å |
| 83 | F | 88.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.2 | -20.2 | -175.9 | -77.5 | -78.4 | 0 | 0 | 0 | 113.3 | V67 L79 K80 K85 F86 G87 V89 I109 F111 V120 I133 P135 | V67-F83 HydrophobicContact CB-CZ 4.39Å; V67-F83 HydrophobicContact CG1-CE2 3.99Å; V67-F83 HydrophobicContact CG1-CZ 3.8Å; V67-F83 HydrophobicContact CG2-CE1 4.38Å; V67-F83 HydrophobicContact CG2-CE2 3.9Å; V67-F83 HydrophobicContact CG2-CZ 3.62Å; L79-F83 HydrophobicContact CD1-CE2 4.21Å; L79-F83 HydrophobicContact CG-CD2 4.05Å; L79-F83 HydrophobicContact CG-CE2 4.15Å; L79-F83 VanDerWaalsContact O-CD2 3.23Å; L79-F83 WeakPolarHBondContact O-CD2 3.36Å; L79-F83 PolarHBondContact O-N 2.95Å; K80-F83 PolarHBondContact O-N 2.69Å; F83-K85 PolarHBondContact O-N 2.78Å; F83-K85 VanDerWaalsContact O-N 3.08Å; F83-F86 HydrophobicContact CD1-CD2 4.45Å; F83-F86 PolarHBondContact O-N 3.48Å; F83-G87 PolarHBondContact O-N 3.11Å; F83-V89 HydrophobicContact CB-CG2 3.91Å; F83-I109 HydrophobicContact CB-CD1 3.94Å; F83-I109 HydrophobicContact CD1-CD1 4.01Å; F83-I109 HydrophobicContact CD2-CD1 2.98Å; F83-I109 HydrophobicContact CD2-CG1 4.49Å; F83-I109 HydrophobicContact CE1-CD1 4.25Å; F83-I109 HydrophobicContact CE2-CD1 3.31Å; F83-I109 HydrophobicContact CG-CD1 3.36Å; F83-I109 HydrophobicContact CZ-CD1 3.93Å; F83-F111 HydrophobicContact CB-CE1 4.3Å; F83-F111 HydrophobicContact CB-CZ 3.87Å; F83-F111 HydrophobicContact CD1-CE2 4.48Å; F83-F111 AromaticContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CG-CZ 4.29Å; F83-V120 HydrophobicContact CD1-CG1 4.39Å; F83-V120 HydrophobicContact CD1-CG2 4Å; F83-V120 HydrophobicContact CE1-CG1 3.83Å; F83-V120 HydrophobicContact CE1-CG2 4.26Å; F83-I133 HydrophobicContact CE2-CD1 3.83Å; F83-I133 HydrophobicContact CZ-CD1 3.58Å; F83-P135 HydrophobicContact CE1-CB 4.32Å; F83-P135 HydrophobicContact CZ-CB 4.4Å |
| 84 | S | 88.8 | Confident | 88.4 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -19.6 | 170.9 | -78.7 | 0 | 0 | 0 | 0 | 113.9 | K80 Y82 F86 G87 | K80-S84 VanDerWaalsContact O-CB 3.27Å; K80-S84 WeakPolarHBondContact O-CB 3.49Å; K80-S84 PolarHBondContact O-N 3.08Å; K80-S84 PolarHBondContact O-OG 3.35Å; Y82-S84 VanDerWaalsContact C-N 3.33Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 3.28Å; S84-G87 VanDerWaalsContact CA-O 3.27Å; S84-G87 WeakPolarHBondContact CA-O 3.37Å |
| 85 | K | 88.9 | Confident | 88.4 | Confident | 160 Ų | 160 | 54.5 Ų | 54.5 | 70% | 0.696 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -23.4 | 174.6 | -61.7 | 177 | -176.6 | 177.4 | 0 | 113.6 | Y82 F83 | Y82-K85 WeakPolarHBondContact O-CB 3.23Å; Y82-K85 WeakPolarHBondContact O-CG 3.45Å; Y82-K85 PolarHBondContact O-N 2.84Å; F83-K85 PolarHBondContact O-N 2.78Å; F83-K85 VanDerWaalsContact O-N 3.08Å |
| 86 | F | 86.8 | Confident | 88.4 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -22.3 | -177 | -56.7 | -86.4 | 0 | 0 | 0 | 112.1 | Y82 F83 S84 S116 V120 Q123 H126 | Y82-F86 HydrophobicContact CD1-CE2 4.48Å; Y82-F86 HydrophobicContact CE1-CE2 4.04Å; F83-F86 HydrophobicContact CD1-CD2 4.45Å; F83-F86 PolarHBondContact O-N 3.48Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 3.28Å; F86-S116 PolarHBondContact O-OG 2.85Å; F86-V120 HydrophobicContact CB-CG2 3.54Å; F86-V120 HydrophobicContact CD1-CG2 4.1Å; F86-V120 HydrophobicContact CD2-CG2 3.98Å; F86-V120 HydrophobicContact CG-CG2 3.61Å; F86-Q123 VanDerWaalsContact CE1-CD 3.45Å; F86-Q123 HydrophobicContact CE1-CG 4.2Å; F86-Q123 VanDerWaalsContact CZ-OE1 3.26Å; F86-H126 AromaticContact CZ-CE1 3.73Å; F86-H126 AromaticContact CZ-ND1 3.94Å |
| 87 | G | 86.9 | Confident | 88.2 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 177.3 | 169.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F83 S84 V89 S116 | F83-G87 PolarHBondContact O-N 3.11Å; S84-G87 VanDerWaalsContact CA-O 3.27Å; S84-G87 WeakPolarHBondContact CA-O 3.37Å; G87-V89 PolarHBondContact O-N 3.37Å; G87-S116 WeakPolarHBondContact CA-OG 3.3Å |
| 88 | E | 88.8 | Confident | 87.7 | Confident | 111 Ų | 111 | 60 Ų | 60 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | trans | -69.2 | 116 | 173.2 | -166.7 | -179.3 | 152.4 | 0 | 0 | 109.8 | F111 K112 | E88-F111 WeakPolarHBondContact O-CA 3.4Å; E88-K112 HydrophobicContact CB-CB 4.22Å; E88-K112 HydrophobicContact CB-CD 4.3Å; E88-K112 HydrophobicContact CG-CD 4.19Å; E88-K112 PolarHBondContact O-N 3.39Å; E88-K112 WeakPolarHBondContact OE1-CD 3.23Å; E88-K112 IonicContact OE1-NZ 2.79Å; E88-K112 PolarHBondContact OE1-NZ 2.87Å; E88-K112 VanDerWaalsContact OE2-CD 3.23Å; E88-K112 WeakPolarHBondContact OE2-CD 3.29Å; E88-K112 IonicContact OE2-NZ 2.85Å; E88-K112 PolarHBondContact OE2-NZ 2.85Å | ||
| 89 | V | 89.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.7 | 177.2 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | K80 F83 G87 D91 C92 I109 L110 F111 | K80-V89 HydrophobicContact CG-CB 4.17Å; K80-V89 HydrophobicContact CG-CG1 4.24Å; F83-V89 HydrophobicContact CB-CG2 3.91Å; G87-V89 PolarHBondContact O-N 3.37Å; V89-D91 WeakPolarHBondContact CG1-O 3.39Å; V89-C92 HydrophobicContact CG1-CB 4.35Å; V89-I109 HydrophobicContact CB-CG2 4.43Å; V89-I109 HydrophobicContact CG1-CG2 3.63Å; V89-I109 HydrophobicContact CG2-CG2 3.99Å; V89-L110 CarbonylContact C-O 3.52Å; V89-F111 HydrophobicContact CG2-CD1 3.96Å; V89-F111 HydrophobicContact CG2-CE1 3.61Å; V89-F111 HydrophobicContact CG2-CZ 4.28Å |
| 90 | T | 87.8 | Confident | 86.9 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -49.1 | 175.7 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | L110 K112 | T90-L110 HydrophobicContact CG2-CD2 4.33Å; T90-L110 PolarHBondContact N-O 2.91Å; T90-K112 WeakPolarHBondContact OG1-CA 3.38Å; T90-K112 PolarHBondContact OG1-N 2.89Å |
| 91 | D | 84.6 | Confident | 86.5 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 13% | 0.134 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157.5 | 178.6 | -157.8 | 4.3 | 0 | 0 | 0 | 112.5 | I53 K76 V89 I109 L110 | I53-D91 HydrophobicContact CG2-CB 3.96Å; I53-D91 WeakPolarHBondContact CG2-OD2 3.38Å; K76-D91 IonicContact NZ-OD1 3.9Å; K76-D91 PolarHBondContact NZ-OD1 3.03Å; V89-D91 WeakPolarHBondContact CG1-O 3.39Å; D91-I109 CarbonylContact O-C 3.52Å; D91-L110 HydrophobicContact CB-CB 4.33Å; D91-L110 PolarHBondContact N-O 3.17Å; D91-L110 PolarHBondContact O-N 3.4Å |
| 92 | C | 87.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 142 | 175.4 | 41.8 | 0 | 0 | 0 | 0 | 110.7 | K76 L79 V89 F108 I109 | K76-C92 VanDerWaalsContact CD-O 3.24Å; K76-C92 WeakPolarHBondContact CD-O 3.25Å; K76-C92 WeakPolarHBondContact CE-O 3.23Å; K76-C92 WeakPolarHBondContact CE-SG 3.45Å; K76-C92 HydrophobicContact CG-CB 4.18Å; K76-C92 WeakPolarHBondContact CG-SG 3.49Å; K76-C92 PolarHBondContact NZ-O 3.44Å; L79-C92 HydrophobicContact CD2-CB 3.76Å; V89-C92 HydrophobicContact CG1-CB 4.35Å; C92-F108 CarbonylContact C-O 3.56Å; C92-F108 WeakPolarHBondContact CA-O 3.48Å; C92-I109 HydrophobicContact CB-CG1 4.35Å |
| 93 | T | 87.1 | Confident | 85.9 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 123.9 | -177.5 | -68.9 | 0 | 0 | 0 | 0 | 109.8 | I53 K95 G107 F108 | I53-T93 HydrophobicContact CD1-CG2 4.22Å; I53-T93 WeakPolarHBondContact CD1-OG1 3.27Å; I53-T93 HydrophobicContact CG1-CG2 4.29Å; I53-T93 WeakPolarHBondContact CG1-OG1 3.15Å; T93-K95 HydrophobicContact CG2-CD 4.44Å; T93-G107 CarbonylContact O-C 3.46Å; T93-G107 WeakPolarHBondContact O-CA 3.24Å; T93-F108 PolarHBondContact N-O 3.31Å; T93-F108 PolarHBondContact O-N 3.12Å |
| 94 | I | 89.6 | Confident | 85.7 | Confident | 17 Ų | 17 | 77 Ų | 77 | 9% | 0.087 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.2 | 173.8 | -60.6 | -178.4 | 0 | 0 | 0 | 108.2 | L70 T74 M96 | L70-I94 HydrophobicContact CD1-CG1 4.49Å; T74-I94 HydrophobicContact CG2-CD1 4.38Å; T74-I94 WeakPolarHBondContact O-CD1 2.92Å; I94-M96 PolarHBondContact O-N 3.23Å |
| 95 | K | 86.9 | Confident | 85.6 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 37% | 0.365 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113.8 | 176.9 | -68 | -58.1 | -173.6 | -174 | 0 | 109 | T93 R104 F106 F108 | T93-K95 HydrophobicContact CG2-CD 4.44Å; K95-R104 VanDerWaalsContact O-CB 3.25Å; K95-R104 WeakPolarHBondContact O-CB 3.46Å; K95-R104 WeakPolarHBondContact O-CG 3.37Å; K95-R104 PolarHBondContact O-N 2.77Å; K95-F106 HydrophobicContact CB-CD2 4.09Å; K95-F106 HydrophobicContact CB-CE1 4.47Å; K95-F106 HydrophobicContact CB-CE2 3.58Å; K95-F106 HydrophobicContact CB-CZ 3.79Å; K95-F106 HydrophobicContact CG-CD2 4.16Å; K95-F106 HydrophobicContact CG-CE2 3.57Å; K95-F106 HydrophobicContact CG-CZ 4.17Å; K95-F106 PolarHBondContact N-O 2.89Å; K95-F108 HydrophobicContact CG-CD2 4.29Å; K95-F108 HydrophobicContact CG-CE2 4.06Å |
| 96 | M | 87.4 | Confident | 85.7 | Confident | 112 Ų | 112 | 69.1 Ų | 69.1 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 151.5 | 174 | -58 | 174.7 | -174.6 | 0 | 0 | 109.6 | I94 R102 | I94-M96 PolarHBondContact O-N 3.23Å; M96-R102 CarbonylContact C-O 3.55Å; M96-R102 WeakPolarHBondContact CA-O 3.29Å |
| 97 | D | 84.3 | Confident | 85.9 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | trans | -71.4 | 125.6 | 171.6 | 176.8 | 11.4 | 0 | 0 | 0 | 109.3 | Q99 T100 G101 R102 R104 | D97-Q99 PolarHBondContact O-N 3.15Å; D97-Q99 PolarHBondContact OD1-N 3.05Å; D97-Q99 VanDerWaalsContact OD1-N 3.08Å; D97-T100 WeakPolarHBondContact CB-OG1 3.47Å; D97-T100 VanDerWaalsContact CG-OG1 3.31Å; D97-T100 WeakPolarHBondContact OD2-CG2 3.38Å; D97-T100 PolarHBondContact OD2-OG1 3.46Å; D97-G101 VanDerWaalsContact O-CA 3.25Å; D97-G101 WeakPolarHBondContact O-CA 3.49Å; D97-G101 PolarHBondContact O-N 2.82Å; D97-R102 PolarHBondContact N-O 2.87Å; D97-R104 HydrophobicContact CB-CG 4.24Å | ||
| 98 | Q | 80.4 | Confident | 86.1 | Confident | 199 Ų | 199 | 69.3 Ų | 69.3 | 93% | 0.93 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22.7 | -177.8 | -73.8 | -174.7 | -24.6 | 0 | 0 | 113.1 | ||
| 99 | Q | 78.7 | Confident | 86.1 | Confident | 184 Ų | 184 | 64 Ų | 64 | 86% | 0.86 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -38.1 | -179.6 | -63.5 | -170.8 | 12.9 | 0 | 0 | 112.5 | D97 | D97-Q99 PolarHBondContact O-N 3.15Å; D97-Q99 PolarHBondContact OD1-N 3.05Å; D97-Q99 VanDerWaalsContact OD1-N 3.08Å |
| 100 | T | 82.6 | Confident | 86.1 | Confident | 96 Ų | 96 | 64.5 Ų | 64.5 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -10.4 | -173.2 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | D97 R102 | D97-T100 WeakPolarHBondContact CB-OG1 3.47Å; D97-T100 VanDerWaalsContact CG-OG1 3.31Å; D97-T100 WeakPolarHBondContact OD2-CG2 3.38Å; D97-T100 PolarHBondContact OD2-OG1 3.46Å; T100-R102 PolarHBondContact O-N 2.78Å; T100-R102 VanDerWaalsContact O-N 3.11Å; T100-R102 PolarHBondContact OG1-N 2.85Å |
| 101 | G | 80.9 | Confident | 86.2 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | trans | 67.6 | 1.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | D97 | D97-G101 VanDerWaalsContact O-CA 3.25Å; D97-G101 WeakPolarHBondContact O-CA 3.49Å; D97-G101 PolarHBondContact O-N 2.82Å | ||
| 102 | R | 81.9 | Confident | 86.3 | Confident | 129 Ų | 129 | 65.4 Ų | 65.4 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -81.3 | 142 | -175.8 | -163.3 | -179.6 | -166 | 177.3 | 11.6 | 111 | M96 D97 T100 R104 | M96-R102 CarbonylContact C-O 3.55Å; M96-R102 WeakPolarHBondContact CA-O 3.29Å; D97-R102 PolarHBondContact N-O 2.87Å; T100-R102 PolarHBondContact O-N 2.78Å; T100-R102 VanDerWaalsContact O-N 3.11Å; T100-R102 PolarHBondContact OG1-N 2.85Å; R102-R104 PolarHBondContact O-N 3.15Å | ||
| 103 | S | 86.1 | Confident | 86.2 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 133.9 | 170.5 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | W72 G105 | W72-S103 VanDerWaalsContact CD1-O 3.32Å; W72-S103 VanDerWaalsContact O-CB 3.3Å; W72-S103 WeakPolarHBondContact O-CB 3.3Å; S103-G105 PolarHBondContact O-N 2.77Å; S103-G105 PolarHBondContact OG-N 2.81Å; S103-G105 VanDerWaalsContact OG-N 3.17Å |
| 104 | R | 84.5 | Confident | 86.2 | Confident | 155 Ų | 155 | 71 Ų | 71 | 59% | 0.585 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 2.6 | 174.8 | -60.4 | 178.5 | 64.3 | -174.4 | -3.6 | 112.3 | K95 D97 R102 F106 | K95-R104 VanDerWaalsContact O-CB 3.25Å; K95-R104 WeakPolarHBondContact O-CB 3.46Å; K95-R104 WeakPolarHBondContact O-CG 3.37Å; K95-R104 PolarHBondContact O-N 2.77Å; D97-R104 HydrophobicContact CB-CG 4.24Å; R102-R104 PolarHBondContact O-N 3.15Å; R104-F106 VanDerWaalsContact C-N 3.3Å; R104-F106 HydrophobicContact CB-CD1 3.67Å; R104-F106 HydrophobicContact CB-CE1 3.39Å; R104-F106 HydrophobicContact CB-CZ 4.27Å; R104-F106 HydrophobicContact CG-CE1 4.28Å; R104-F106 WeakPolarHBondContact O-CD1 3.22Å |
| 105 | G | 86.7 | Confident | 86.1 | Confident | 9 Ų | 9 | 72.6 Ų | 72.6 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.8 | 20.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G69 L70 S103 | G69-G105 PolarHBondContact N-O 3.37Å; L70-G105 PolarHBondContact N-O 3Å; L70-G105 WeakPolarHBondContact O-CA 3.4Å; S103-G105 PolarHBondContact O-N 2.77Å; S103-G105 PolarHBondContact OG-N 2.81Å; S103-G105 VanDerWaalsContact OG-N 3.17Å |
| 106 | F | 89.8 | Confident | 86.1 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.5 | 172.9 | 71 | -91.1 | 0 | 0 | 0 | 111.9 | F66 V67 K95 R104 F108 | F66-F106 HydrophobicContact CD2-CD2 4.45Å; F66-F106 HydrophobicContact CE2-CB 3.86Å; F66-F106 AromaticContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CE2 4.41Å; F66-F106 AromaticContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CZ-CB 3.84Å; F66-F106 HydrophobicContact CZ-CD2 4.36Å; F66-F106 HydrophobicContact CZ-CG 4.29Å; V67-F106 CarbonylContact O-C 3.43Å; V67-F106 VanDerWaalsContact O-CA 3.23Å; V67-F106 WeakPolarHBondContact O-CA 3.39Å; K95-F106 HydrophobicContact CB-CD2 4.09Å; K95-F106 HydrophobicContact CB-CE1 4.47Å; K95-F106 HydrophobicContact CB-CE2 3.58Å; K95-F106 HydrophobicContact CB-CZ 3.79Å; K95-F106 HydrophobicContact CG-CD2 4.16Å; K95-F106 HydrophobicContact CG-CE2 3.57Å; K95-F106 HydrophobicContact CG-CZ 4.17Å; K95-F106 PolarHBondContact N-O 2.89Å; R104-F106 VanDerWaalsContact C-N 3.3Å; R104-F106 HydrophobicContact CB-CD1 3.67Å; R104-F106 HydrophobicContact CB-CE1 3.39Å; R104-F106 HydrophobicContact CB-CZ 4.27Å; R104-F106 HydrophobicContact CG-CE1 4.28Å; R104-F106 WeakPolarHBondContact O-CD1 3.22Å; F106-F108 HydrophobicContact CD2-CE2 4.48Å; F106-F108 HydrophobicContact CE2-CE2 4.3Å |
| 107 | G | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | -179.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V67 T93 | V67-G107 PolarHBondContact N-O 2.85Å; V67-G107 PolarHBondContact O-N 3.45Å; T93-G107 CarbonylContact O-C 3.46Å; T93-G107 WeakPolarHBondContact O-CA 3.24Å |
| 108 | F | 90.9 | Very high | 86.1 | Confident | 45 Ų | 45 | 64 Ų | 64 | 20% | 0.197 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.8 | 174.8 | -63.1 | -86.5 | 0 | 0 | 0 | 109.5 | I53 M65 F66 C92 T93 K95 F106 A138 | I53-F108 HydrophobicContact CD1-CB 3.69Å; I53-F108 HydrophobicContact CD1-CG 4.44Å; M65-F108 CarbonylContact O-C 3.57Å; M65-F108 VanDerWaalsContact O-CA 3.22Å; M65-F108 WeakPolarHBondContact O-CA 3.41Å; F66-F108 HydrophobicContact CB-CD1 4.31Å; F66-F108 HydrophobicContact CB-CE1 4.17Å; F66-F108 HydrophobicContact CD2-CD1 4.35Å; F66-F108 AromaticContact CD2-CE1 3.77Å; F66-F108 HydrophobicContact CD2-CE1 3.77Å; F66-F108 AromaticContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CG-CE1 4.48Å; C92-F108 CarbonylContact C-O 3.56Å; C92-F108 WeakPolarHBondContact CA-O 3.48Å; T93-F108 PolarHBondContact N-O 3.31Å; T93-F108 PolarHBondContact O-N 3.12Å; K95-F108 HydrophobicContact CG-CD2 4.29Å; K95-F108 HydrophobicContact CG-CE2 4.06Å; F106-F108 HydrophobicContact CD2-CE2 4.48Å; F106-F108 HydrophobicContact CE2-CE2 4.3Å; F108-A138 HydrophobicContact CD1-CB 4.29Å |
| 109 | I | 89.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.3 | 176.3 | -57.2 | -176.6 | 0 | 0 | 0 | 107.3 | K64 M65 V67 L79 F83 V89 D91 C92 F111 | K64-I109 CarbonylContact C-O 3.59Å; K64-I109 WeakPolarHBondContact CA-O 3.22Å; M65-I109 HydrophobicContact CB-CB 4.45Å; M65-I109 PolarHBondContact N-O 3.01Å; M65-I109 PolarHBondContact O-N 2.97Å; V67-I109 HydrophobicContact CG2-CD1 3.63Å; V67-I109 HydrophobicContact CG2-CG1 3.93Å; L79-I109 HydrophobicContact CD1-CD1 4.41Å; L79-I109 HydrophobicContact CD2-CD1 3.39Å; L79-I109 HydrophobicContact CD2-CG1 3.35Å; L79-I109 HydrophobicContact CG-CD1 3.68Å; L79-I109 HydrophobicContact CG-CG1 4.21Å; F83-I109 HydrophobicContact CB-CD1 3.94Å; F83-I109 HydrophobicContact CD1-CD1 4.01Å; F83-I109 HydrophobicContact CD2-CD1 2.98Å; F83-I109 HydrophobicContact CD2-CG1 4.49Å; F83-I109 HydrophobicContact CE1-CD1 4.25Å; F83-I109 HydrophobicContact CE2-CD1 3.31Å; F83-I109 HydrophobicContact CG-CD1 3.36Å; F83-I109 HydrophobicContact CZ-CD1 3.93Å; V89-I109 HydrophobicContact CB-CG2 4.43Å; V89-I109 HydrophobicContact CG1-CG2 3.63Å; V89-I109 HydrophobicContact CG2-CG2 3.99Å; D91-I109 CarbonylContact O-C 3.52Å; C92-I109 HydrophobicContact CB-CG1 4.35Å; I109-F111 HydrophobicContact CG2-CD2 4.27Å; I109-F111 HydrophobicContact CG2-CE2 4.04Å; I109-F111 HydrophobicContact CG2-CZ 4.31Å |
| 110 | L | 88.4 | Confident | 86.9 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.4 | 171.5 | -178 | 65.9 | 0 | 0 | 0 | 107.8 | E60 K64 V89 T90 D91 | E60-L110 HydrophobicContact CB-CD1 4.23Å; E60-L110 WeakPolarHBondContact O-CD1 3.32Å; E60-L110 VanDerWaalsContact OE2-CD2 3.29Å; E60-L110 WeakPolarHBondContact OE2-CD2 3.29Å; K64-L110 HydrophobicContact CB-CD1 4.08Å; V89-L110 CarbonylContact C-O 3.52Å; T90-L110 HydrophobicContact CG2-CD2 4.33Å; T90-L110 PolarHBondContact N-O 2.91Å; D91-L110 HydrophobicContact CB-CB 4.33Å; D91-L110 PolarHBondContact N-O 3.17Å; D91-L110 PolarHBondContact O-N 3.4Å |
| 111 | F | 89.9 | Confident | 87.1 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 150.9 | 168.6 | -72.4 | -79.3 | 0 | 0 | 0 | 110.4 | G63 M65 F83 E88 V89 I109 D113 V117 V120 | G63-F111 PolarHBondContact O-N 3.04Å; M65-F111 HydrophobicContact CG-CD2 4.27Å; M65-F111 HydrophobicContact CG-CE2 4.2Å; F83-F111 HydrophobicContact CB-CE1 4.3Å; F83-F111 HydrophobicContact CB-CZ 3.87Å; F83-F111 HydrophobicContact CD1-CE2 4.48Å; F83-F111 AromaticContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CG-CZ 4.29Å; E88-F111 WeakPolarHBondContact O-CA 3.4Å; V89-F111 HydrophobicContact CG2-CD1 3.96Å; V89-F111 HydrophobicContact CG2-CE1 3.61Å; V89-F111 HydrophobicContact CG2-CZ 4.28Å; I109-F111 HydrophobicContact CG2-CD2 4.27Å; I109-F111 HydrophobicContact CG2-CE2 4.04Å; I109-F111 HydrophobicContact CG2-CZ 4.31Å; F111-D113 WeakPolarHBondContact CB-O 3.34Å; F111-V117 HydrophobicContact CB-CG2 4.49Å; F111-V117 HydrophobicContact CD2-CG2 3.77Å; F111-V117 HydrophobicContact CE2-CG2 4.5Å; F111-V117 HydrophobicContact CG-CG2 4.49Å; F111-V120 HydrophobicContact CE2-CG2 4.2Å; F111-V120 HydrophobicContact CZ-CG2 3.93Å |
| 112 | K | 87.8 | Confident | 87.4 | Confident | 121 Ų | 121 | 55 Ų | 55 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.2 | -40.8 | 170.3 | -173.2 | 175 | -179.3 | 176.8 | 0 | 111.6 | E88 T90 | E88-K112 HydrophobicContact CB-CB 4.22Å; E88-K112 HydrophobicContact CB-CD 4.3Å; E88-K112 HydrophobicContact CG-CD 4.19Å; E88-K112 PolarHBondContact O-N 3.39Å; E88-K112 WeakPolarHBondContact OE1-CD 3.23Å; E88-K112 IonicContact OE1-NZ 2.79Å; E88-K112 PolarHBondContact OE1-NZ 2.87Å; E88-K112 VanDerWaalsContact OE2-CD 3.23Å; E88-K112 WeakPolarHBondContact OE2-CD 3.29Å; E88-K112 IonicContact OE2-NZ 2.85Å; E88-K112 PolarHBondContact OE2-NZ 2.85Å; T90-K112 WeakPolarHBondContact OG1-CA 3.38Å; T90-K112 PolarHBondContact OG1-N 2.89Å |
| 113 | D | 86.7 | Confident | 87.4 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -111.5 | 134.8 | 179.8 | -61.4 | -46.7 | 0 | 0 | 0 | 111.3 | F111 A115 S116 | F111-D113 WeakPolarHBondContact CB-O 3.34Å; D113-A115 PolarHBondContact O-N 2.96Å; D113-S116 WeakPolarHBondContact O-CB 3.22Å; D113-S116 PolarHBondContact O-N 2.87Å |
| 114 | S | 85.6 | Confident | 86.9 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 42% | 0.42 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.4 | -26.5 | 172.5 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | S116 V117 D118 | S114-S116 PolarHBondContact O-N 2.79Å; S114-V117 VanDerWaalsContact O-CB 3.23Å; S114-V117 WeakPolarHBondContact O-CB 3.15Å; S114-V117 PolarHBondContact O-N 3.49Å; S114-D118 PolarHBondContact O-N 3.45Å |
| 115 | A | 87.3 | Confident | 86.8 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.6 | -28 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D113 V117 D118 K119 | D113-A115 PolarHBondContact O-N 2.96Å; A115-V117 VanDerWaalsContact C-N 3.3Å; A115-D118 PolarHBondContact O-N 3.45Å; A115-K119 WeakPolarHBondContact O-CG 3.41Å; A115-K119 PolarHBondContact O-N 2.81Å |
| 116 | S | 87.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | F86 G87 D113 S114 D118 K119 V120 | F86-S116 PolarHBondContact O-OG 2.85Å; G87-S116 WeakPolarHBondContact CA-OG 3.3Å; D113-S116 WeakPolarHBondContact O-CB 3.22Å; D113-S116 PolarHBondContact O-N 2.87Å; S114-S116 PolarHBondContact O-N 2.79Å; S116-D118 VanDerWaalsContact C-N 3.33Å; S116-K119 PolarHBondContact O-N 3.15Å; S116-V120 WeakPolarHBondContact O-CG2 3.42Å; S116-V120 PolarHBondContact O-N 2.81Å; S116-V120 VanDerWaalsContact O-N 3.13Å |
| 117 | V | 85.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | M65 F111 S114 A115 K119 V120 L121 R137 | M65-V117 HydrophobicContact CE-CG1 4Å; M65-V117 HydrophobicContact CG-CB 4.11Å; M65-V117 HydrophobicContact CG-CG1 3.74Å; M65-V117 HydrophobicContact CG-CG2 3.56Å; M65-V117 HydrophobicContact SD-CB 4.23Å; M65-V117 HydrophobicContact SD-CG1 3.25Å; M65-V117 WeakPolarHBondContact SD-CG1 3.43Å; M65-V117 HydrophobicContact SD-CG2 4.28Å; F111-V117 HydrophobicContact CB-CG2 4.49Å; F111-V117 HydrophobicContact CD2-CG2 3.77Å; F111-V117 HydrophobicContact CE2-CG2 4.5Å; F111-V117 HydrophobicContact CG-CG2 4.49Å; S114-V117 VanDerWaalsContact O-CB 3.23Å; S114-V117 WeakPolarHBondContact O-CB 3.15Å; S114-V117 PolarHBondContact O-N 3.49Å; A115-V117 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 3.5Å; V117-V120 PolarHBondContact O-N 2.74Å; V117-L121 HydrophobicContact CG1-CD1 3.75Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.34Å; V117-L121 PolarHBondContact O-N 3.02Å; V117-R137 HydrophobicContact CG1-CG 4.13Å |
| 118 | D | 86.8 | Confident | 86.5 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | -179.3 | -58.7 | -25.4 | 0 | 0 | 0 | 111.4 | S114 A115 S116 V120 L121 E122 R137 | S114-D118 PolarHBondContact O-N 3.45Å; A115-D118 PolarHBondContact O-N 3.45Å; S116-D118 VanDerWaalsContact C-N 3.33Å; D118-V120 VanDerWaalsContact C-N 3.34Å; D118-V120 PolarHBondContact O-N 3.5Å; D118-L121 PolarHBondContact O-N 3.49Å; D118-E122 WeakPolarHBondContact O-CB 3.49Å; D118-E122 PolarHBondContact O-N 3.19Å; D118-R137 IonicContact OD1-CZ 2.67Å; D118-R137 IonicContact OD1-NH1 2.95Å; D118-R137 PolarHBondContact OD1-NH1 2.96Å; D118-R137 IonicContact OD1-NH2 3.98Å; D118-R137 PolarHBondContact OD1-NH2 2.98Å |
| 119 | K | 88.1 | Confident | 86.1 | Confident | 112 Ų | 112 | 68.1 Ų | 68.1 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 175.4 | -67.7 | 173.6 | -174.2 | 174.9 | 0 | 113.1 | A115 S116 V117 | A115-K119 WeakPolarHBondContact O-CG 3.41Å; A115-K119 PolarHBondContact O-N 2.81Å; S116-K119 PolarHBondContact O-N 3.15Å; V117-K119 PolarHBondContact O-N 3.5Å |
| 120 | V | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 109.2 | M65 F83 F86 F111 S116 V117 D118 E122 Q123 H126 P135 | M65-V120 HydrophobicContact CE-CB 4.25Å; M65-V120 HydrophobicContact CE-CG1 3.79Å; F83-V120 HydrophobicContact CD1-CG1 4.39Å; F83-V120 HydrophobicContact CD1-CG2 4Å; F83-V120 HydrophobicContact CE1-CG1 3.83Å; F83-V120 HydrophobicContact CE1-CG2 4.26Å; F86-V120 HydrophobicContact CB-CG2 3.54Å; F86-V120 HydrophobicContact CD1-CG2 4.1Å; F86-V120 HydrophobicContact CD2-CG2 3.98Å; F86-V120 HydrophobicContact CG-CG2 3.61Å; F111-V120 HydrophobicContact CE2-CG2 4.2Å; F111-V120 HydrophobicContact CZ-CG2 3.93Å; S116-V120 WeakPolarHBondContact O-CG2 3.42Å; S116-V120 PolarHBondContact O-N 2.81Å; S116-V120 VanDerWaalsContact O-N 3.13Å; V117-V120 PolarHBondContact O-N 2.74Å; D118-V120 VanDerWaalsContact C-N 3.34Å; D118-V120 PolarHBondContact O-N 3.5Å; V120-E122 VanDerWaalsContact C-N 3.26Å; V120-E122 PolarHBondContact O-N 3Å; V120-Q123 WeakPolarHBondContact O-CB 3.48Å; V120-Q123 PolarHBondContact O-N 2.97Å; V120-H126 PolarHBondContact O-CE1 3.38Å; V120-H126 PolarHBondContact O-NE2 3.35Å; V120-P135 HydrophobicContact CG1-CB 3.65Å; V120-P135 HydrophobicContact CG1-CG 3.59Å |
| 121 | L | 86.5 | Confident | 85.6 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.9 | -25.6 | -178.6 | -66.8 | 168 | 0 | 0 | 0 | 114 | M65 V117 D118 Q123 R137 | M65-L121 HydrophobicContact CE-CD1 4.48Å; M65-L121 HydrophobicContact CE-CD2 3.81Å; M65-L121 HydrophobicContact CE-CG 3.89Å; V117-L121 HydrophobicContact CG1-CD1 3.75Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.34Å; V117-L121 PolarHBondContact O-N 3.02Å; D118-L121 PolarHBondContact O-N 3.49Å; L121-Q123 PolarHBondContact O-N 3.29Å; L121-R137 HydrophobicContact CD1-CG 3.56Å |
| 122 | E | 86.6 | Confident | 85.5 | Confident | 170 Ų | 170 | 80.6 Ų | 80.6 | 79% | 0.794 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.8 | -31.6 | 172.2 | -171.6 | 172.6 | -163.1 | 0 | 0 | 111.4 | D118 V120 K124 | D118-E122 WeakPolarHBondContact O-CB 3.49Å; D118-E122 PolarHBondContact O-N 3.19Å; V120-E122 VanDerWaalsContact C-N 3.26Å; V120-E122 PolarHBondContact O-N 3Å; E122-K124 PolarHBondContact O-N 3.45Å |
| 123 | Q | 83.4 | Confident | 85.7 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | trans | -78.1 | 113.1 | 168.6 | -81.5 | -166.5 | 10.9 | 0 | 0 | 111.1 | F86 V120 L121 E125 H126 | F86-Q123 VanDerWaalsContact CE1-CD 3.45Å; F86-Q123 HydrophobicContact CE1-CG 4.2Å; F86-Q123 VanDerWaalsContact CZ-OE1 3.26Å; V120-Q123 WeakPolarHBondContact O-CB 3.48Å; V120-Q123 PolarHBondContact O-N 2.97Å; L121-Q123 PolarHBondContact O-N 3.29Å; Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.26Å; Q123-H126 VanDerWaalsContact CB-CE1 3.42Å; Q123-H126 WeakPolarHBondContact CB-CE1 3.25Å; Q123-H126 WeakPolarHBondContact CB-NE2 3.24Å; Q123-H126 PolarHBondContact O-CD2 3.13Å; Q123-H126 PolarHBondContact O-NE2 3.23Å; Q123-H126 VanDerWaalsContact O-NE2 3.15Å; Q123-H126 PolarHBondContact OE1-CE1 3.46Å | ||
| 124 | K | 73.9 | Confident | 85.7 | Confident | 198 Ų | 198 | 74.4 Ų | 74.4 | 86% | 0.861 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -73.9 | -22.2 | -179.3 | -163 | 174.2 | -179 | 179.4 | 0 | 113.7 | E122 | E122-K124 PolarHBondContact O-N 3.45Š|
| 125 | E | 83.3 | Confident | 85.8 | Confident | 125 Ų | 125 | 72.1 Ų | 72.1 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | trans | -130.8 | 119.8 | -179.4 | -69.4 | -168.5 | -170.7 | 0 | 0 | 111.4 | Q123 | Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.26Å | ||
| 126 | H | 86.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.6 | 171.8 | -65.9 | -82.7 | 0 | 0 | 0 | 110 | Y82 F86 V120 Q123 Q132 I133 P135 | Y82-H126 HydrophobicContact CE1-CB 4.27Å; Y82-H126 AromaticContact CE1-ND1 3.78Å; Y82-H126 AromaticContact CZ-ND1 3.92Å; Y82-H126 WeakPolarHBondContact OH-CA 3.47Å; Y82-H126 WeakPolarHBondContact OH-CB 3.49Å; Y82-H126 PolarHBondContact OH-ND1 2.79Å; Y82-H126 VanDerWaalsContact OH-ND1 3.15Å; F86-H126 AromaticContact CZ-CE1 3.73Å; F86-H126 AromaticContact CZ-ND1 3.94Å; V120-H126 PolarHBondContact O-CE1 3.38Å; V120-H126 PolarHBondContact O-NE2 3.35Å; Q123-H126 VanDerWaalsContact CB-CE1 3.42Å; Q123-H126 WeakPolarHBondContact CB-CE1 3.25Å; Q123-H126 WeakPolarHBondContact CB-NE2 3.24Å; Q123-H126 PolarHBondContact O-CD2 3.13Å; Q123-H126 PolarHBondContact O-NE2 3.23Å; Q123-H126 VanDerWaalsContact O-NE2 3.15Å; Q123-H126 PolarHBondContact OE1-CE1 3.46Å; H126-Q132 CarbonylContact O-C 3.54Å; H126-Q132 WeakPolarHBondContact O-CA 3.23Å; H126-I133 HydrophobicContact CB-CD1 3.74Å; H126-I133 HydrophobicContact CB-CG1 3.22Å; H126-I133 PolarHBondContact O-N 2.67Å; H126-P135 HydrophobicContact CB-CG 4.49Å; H126-P135 WeakPolarHBondContact CD2-CG 3.12Å |
| 127 | R | 87.1 | Confident | 85.8 | Confident | 147 Ų | 147 | 81.3 Ų | 81.3 | 56% | 0.555 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.1 | 177 | -71.3 | -179.7 | -179.3 | -120.8 | 1.4 | 110.2 | Y82 R131 Q132 | Y82-R127 VanDerWaalsContact CE2-O 3.27Å; Y82-R127 WeakPolarHBondContact CE2-O 3.36Å; Y82-R127 PolarHBondContact OH-N 3.32Å; R127-R131 CarbonylContact C-O 3.55Å; R127-R131 VanDerWaalsContact CA-O 3.24Å; R127-R131 WeakPolarHBondContact CA-O 3.49Å; R127-Q132 HydrophobicContact CG-CB 4.47Å |
| 128 | L | 86.4 | Confident | 85.4 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.2 | 176.8 | -169.4 | 70.4 | 0 | 0 | 0 | 108.4 | L70 T74 L79 Y82 G130 R131 I133 | L70-L128 HydrophobicContact CD2-CD2 4.08Å; T74-L128 HydrophobicContact CG2-CD2 3.48Å; T74-L128 VanDerWaalsContact CG2-CD2 3.48Å; T74-L128 HydrophobicContact CG2-CG 4.45Å; L79-L128 HydrophobicContact CD1-CD2 4.33Å; Y82-L128 HydrophobicContact CD2-CD1 3.8Å; Y82-L128 HydrophobicContact CG-CD1 3.74Å; L128-G130 PolarHBondContact O-N 3.48Å; L128-G130 VanDerWaalsContact O-N 3.15Å; L128-R131 PolarHBondContact N-O 3.23Å; L128-R131 PolarHBondContact O-N 3.04Å; L128-R131 VanDerWaalsContact O-O 3.06Å; L128-I133 HydrophobicContact CB-CD1 4.23Å; L128-I133 HydrophobicContact CB-CG2 3.82Å |
| 129 | D | 82.8 | Confident | 84.4 | Confident | 87 Ų | 87 | 86.8 Ų | 86.8 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.7 | -179.9 | -50.7 | -32.7 | 0 | 0 | 0 | 114 | T74 R131 | T74-D129 WeakPolarHBondContact CB-OD2 3.24Å; T74-D129 PolarHBondContact OG1-OD2 3.42Å; D129-R131 PolarHBondContact O-N 3.45Å |
| 130 | G | 81.9 | Confident | 83 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 1.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L128 | L128-G130 PolarHBondContact O-N 3.48Å; L128-G130 VanDerWaalsContact O-N 3.15Å |
| 131 | R | 87 | Confident | 81.6 | Confident | 107 Ų | 107 | 90.7 Ų | 90.7 | 40% | 0.404 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.7 | 178.6 | -161.2 | 166.4 | 178.4 | 163.4 | -2.2 | 111.1 | G69 R127 L128 D129 | G69-R131 WeakPolarHBondContact O-CD 3.39Å; G69-R131 WeakPolarHBondContact O-CG 3.2Å; G69-R131 PolarHBondContact O-NE 3.22Å; R127-R131 CarbonylContact C-O 3.55Å; R127-R131 VanDerWaalsContact CA-O 3.24Å; R127-R131 WeakPolarHBondContact CA-O 3.49Å; L128-R131 PolarHBondContact N-O 3.23Å; L128-R131 PolarHBondContact O-N 3.04Å; L128-R131 VanDerWaalsContact O-O 3.06Å; D129-R131 PolarHBondContact O-N 3.45Å |
| 132 | Q | 87.9 | Confident | 79.9 | Confident | 104 Ų | 104 | 94.9 Ų | 94.9 | 49% | 0.486 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.6 | 174.5 | -172.1 | 172.3 | -0.3 | 0 | 0 | 109.5 | H126 R127 | H126-Q132 CarbonylContact O-C 3.54Å; H126-Q132 WeakPolarHBondContact O-CA 3.23Å; R127-Q132 HydrophobicContact CG-CB 4.47Å |
| 133 | I | 91 | Very high | 78.3 | Confident | 5 Ų | 5 | 96.2 Ų | 96.2 | 3% | 0.026 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 149.1 | 177.7 | 71.9 | 178.5 | 0 | 0 | 0 | 109.2 | V67 G68 L70 Y82 F83 H126 L128 P135 | V67-I133 HydrophobicContact CG1-CB 4.11Å; V67-I133 HydrophobicContact CG1-CD1 3.98Å; V67-I133 HydrophobicContact CG1-CG1 4.35Å; G68-I133 CarbonylContact O-C 3.55Å; G68-I133 VanDerWaalsContact O-CA 3.29Å; G68-I133 WeakPolarHBondContact O-CA 3.46Å; L70-I133 HydrophobicContact CD2-CB 4.46Å; L70-I133 HydrophobicContact CD2-CG2 3.84Å; Y82-I133 HydrophobicContact CD1-CD1 4.18Å; Y82-I133 HydrophobicContact CE1-CD1 3.82Å; F83-I133 HydrophobicContact CE2-CD1 3.83Å; F83-I133 HydrophobicContact CZ-CD1 3.58Å; H126-I133 HydrophobicContact CB-CD1 3.74Å; H126-I133 HydrophobicContact CB-CG1 3.22Å; H126-I133 PolarHBondContact O-N 2.67Å; L128-I133 HydrophobicContact CB-CD1 4.23Å; L128-I133 HydrophobicContact CB-CG2 3.82Å; I133-P135 WeakPolarHBondContact O-CD 3.12Å |
| 134 | D | 87.9 | Confident | 76.9 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 86.9 | -177 | -176.6 | 22.5 | 0 | 0 | 0 | 108.7 | G68 K136 | G68-D134 PolarHBondContact N-O 2.63Å; G68-D134 PolarHBondContact O-N 2.95Å; D134-K136 IonicContact OD1-NZ 2.83Å; D134-K136 WeakPolarHBondContact OD2-CE 3.24Å; D134-K136 IonicContact OD2-NZ 2.83Å; D134-K136 PolarHBondContact OD2-NZ 3.16Å |
| 135 | P | 87.8 | Confident | 76 | Confident | 12 Ų | 12 | 92.1 Ų | 92.1 | 8% | 0.078 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 129.4 | 175.5 | 28.5 | -27.7 | 0 | 0 | 0 | 110.3 | M65 F66 V67 F83 V120 H126 I133 | M65-P135 HydrophobicContact CE-CB 3.8Å; F66-P135 CarbonylContact O-C 3.59Å; F66-P135 VanDerWaalsContact O-CA 3.3Å; F66-P135 WeakPolarHBondContact O-CA 3.3Å; V67-P135 HydrophobicContact CG2-CB 4.45Å; F83-P135 HydrophobicContact CE1-CB 4.32Å; F83-P135 HydrophobicContact CZ-CB 4.4Å; V120-P135 HydrophobicContact CG1-CB 3.65Å; V120-P135 HydrophobicContact CG1-CG 3.59Å; H126-P135 HydrophobicContact CB-CG 4.49Å; H126-P135 WeakPolarHBondContact CD2-CG 3.12Å; I133-P135 WeakPolarHBondContact O-CD 3.12Å |
| 136 | K | 87.7 | Confident | 75.1 | Confident | 109 Ų | 109 | 88.1 Ų | 88.1 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.8 | 178 | -74 | 170.9 | 169.7 | 153.7 | 0 | 108.9 | F66 D134 A138 | F66-K136 HydrophobicContact CD1-CB 4.35Å; F66-K136 PolarHBondContact N-O 3.38Å; F66-K136 PolarHBondContact O-N 3.33Å; F66-K136 VanDerWaalsContact O-O 3.08Å; D134-K136 IonicContact OD1-NZ 2.83Å; D134-K136 WeakPolarHBondContact OD2-CE 3.24Å; D134-K136 IonicContact OD2-NZ 2.83Å; D134-K136 PolarHBondContact OD2-NZ 3.16Å; K136-A138 PolarHBondContact O-N 3.34Å; K136-A138 VanDerWaalsContact O-N 3.16Å |
| 137 | R | 85.5 | Confident | 74.7 | Confident | 136 Ų | 136 | 92.7 Ų | 92.7 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 127.8 | 169.6 | -65.3 | -165.7 | -168.5 | -98.4 | 1.8 | 108.7 | M65 V117 D118 L121 M139 | M65-R137 WeakPolarHBondContact SD-CA 3.25Å; M65-R137 HydrophobicContact SD-CB 4.5Å; M65-R137 HydrophobicContact SD-CG 4.31Å; M65-R137 PolarHBondContact SD-N 3.38Å; V117-R137 HydrophobicContact CG1-CG 4.13Å; D118-R137 IonicContact OD1-CZ 2.67Å; D118-R137 IonicContact OD1-NH1 2.95Å; D118-R137 PolarHBondContact OD1-NH1 2.96Å; D118-R137 IonicContact OD1-NH2 3.98Å; D118-R137 PolarHBondContact OD1-NH2 2.98Å; L121-R137 HydrophobicContact CD1-CG 3.56Å; R137-M139 PolarHBondContact O-N 2.86Å |
| 138 | A | 77.5 | Confident | 74.6 | Confident | 12 Ų | 12 | 88.5 Ų | 88.5 | 10% | 0.099 | 44% | 0.438 | C | S | . | . | trans | -65.4 | 113.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | K64 F66 F108 K136 A140 | K64-A138 HydrophobicContact CB-CB 3.88Å; K64-A138 HydrophobicContact CD-CB 4.04Å; K64-A138 HydrophobicContact CG-CB 3.61Å; K64-A138 VanDerWaalsContact O-CB 3.24Å; K64-A138 WeakPolarHBondContact O-CB 3.5Å; K64-A138 PolarHBondContact O-N 2.81Å; F66-A138 HydrophobicContact CB-CB 4.47Å; F108-A138 HydrophobicContact CD1-CB 4.29Å; K136-A138 PolarHBondContact O-N 3.34Å; K136-A138 VanDerWaalsContact O-N 3.16Å; A138-A140 VanDerWaalsContact C-N 3.25Å; A138-A140 PolarHBondContact O-N 2.61Å | ||
| 139 | M | 66.3 | Low | 74.7 | Confident | 177 Ų | 177 | 87.8 Ų | 87.8 | 87% | 0.872 | 43% | 0.434 | S | S | * | . | trans | -68 | 101.3 | 157.9 | -66.9 | -179.7 | 174.8 | 0 | 0 | 104.5 | R137 M141 | R137-M139 PolarHBondContact O-N 2.86Å; M139-M141 PolarHBondContact O-N 2.97Å | ||
| 140 | A | 59.6 | Low | 74.9 | Confident | 21 Ų | 21 | 86 Ų | 86 | 17% | 0.174 | 42% | 0.423 | C | S | . | . | trans | -51.3 | 116.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | D61 A138 K142 | D61-A140 WeakPolarHBondContact OD1-CB 3.31Å; D61-A140 VanDerWaalsContact OD2-CB 3.24Å; D61-A140 WeakPolarHBondContact OD2-CB 3.48Å; A138-A140 VanDerWaalsContact C-N 3.25Å; A138-A140 PolarHBondContact O-N 2.61Å; A140-K142 PolarHBondContact O-N 2.79Å | ||
| 141 | M | 56.2 | Low | 75.2 | Confident | 173 Ų | 173 | 82.5 Ų | 82.5 | 85% | 0.852 | 39% | 0.387 | S | S | * | . | trans | -62.6 | 84 | 159.6 | -75.9 | 179.2 | 158.3 | 0 | 0 | 103.8 | M139 K143 | M139-M141 PolarHBondContact O-N 2.97Å; M141-K143 PolarHBondContact O-N 3.33Å | ||
| 142 | K | 51 | Low | 75.1 | Confident | 151 Ų | 151 | 77.7 Ų | 77.7 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | trans | -51.5 | 105.8 | 157.7 | -67.7 | -177.2 | -178.7 | -178.3 | 0 | 101.2 | A140 E144 | A140-K142 PolarHBondContact O-N 2.79Å; K142-E144 HydrophobicContact CB-CG 3.98Å; K142-E144 PolarHBondContact O-N 3.21Å | ||
| 143 | K | 53.1 | Low | 74.9 | Confident | 198 Ų | 198 | 75 Ų | 75 | 86% | 0.861 | 37% | 0.37 | S | S | * | . | trans | -59.5 | 83.4 | 145.5 | -82.5 | -179.3 | 176.8 | 175.2 | 0 | 101.6 | M141 P145 | M141-K143 PolarHBondContact O-N 3.33Å; K143-P145 VanDerWaalsContact O-N 3.07Å | ||
| 144 | E | 53.8 | Low | 74.4 | Confident | 142 Ų | 142 | 75.1 Ų | 75.1 | 66% | 0.664 | 37% | 0.371 | S | S | * | . | trans | -49.6 | 126.8 | 174 | -81.6 | 179.8 | 162.1 | 0 | 0 | 103.5 | K142 V146 | K142-E144 HydrophobicContact CB-CG 3.98Å; K142-E144 PolarHBondContact O-N 3.21Å; E144-V146 PolarHBondContact O-N 3.39Å | ||
| 145 | P | 55.7 | Low | 74 | Confident | 63 Ų | 63 | 74.3 Ų | 74.3 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | trans | -56.6 | 103.6 | 175.2 | 22.2 | -30.4 | 0 | 0 | 0 | 105.1 | K143 K147 E198 | K143-P145 VanDerWaalsContact O-N 3.07Å; P145-K147 VanDerWaalsContact C-N 3.3Å; P145-K147 PolarHBondContact O-N 3.38Å; P145-E198 HydrophobicContact CB-CB 4.43Å; P145-E198 HydrophobicContact CB-CG 3.64Å; P145-E198 VanDerWaalsContact CB-OE2 3.28Å; P145-E198 WeakPolarHBondContact CB-OE2 3.36Å; P145-E198 HydrophobicContact CG-CG 4.42Å; P145-E198 VanDerWaalsContact CG-OE2 3.27Å; P145-E198 WeakPolarHBondContact CG-OE2 3.4Å | ||
| 146 | V | 64.2 | Low | 73.3 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 25% | 0.248 | 38% | 0.379 | C | S | . | . | trans | -64.4 | 101.2 | -176.2 | -81.5 | 0 | 0 | 0 | 0 | 105.8 | E144 K148 I221 | E144-V146 PolarHBondContact O-N 3.39Å; V146-K148 PolarHBondContact O-N 3.32Å; V146-K148 VanDerWaalsContact O-N 3.09Å; V146-I221 HydrophobicContact CB-CG2 4.18Å; V146-I221 HydrophobicContact CG1-CG2 4.13Å; V146-I221 HydrophobicContact CG2-CB 3.93Å; V146-I221 HydrophobicContact CG2-CD1 4.28Å; V146-I221 HydrophobicContact CG2-CG1 3.79Å; V146-I221 HydrophobicContact CG2-CG2 3.26Å | ||
| 147 | K | 79.1 | Confident | 72.8 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | trans | -61.7 | -14.5 | 171.6 | -63.8 | -169.7 | 179.8 | -161.4 | 0 | 111.5 | P145 T194 Y195 K196 | P145-K147 VanDerWaalsContact C-N 3.3Å; P145-K147 PolarHBondContact O-N 3.38Å; K147-T194 HydrophobicContact CB-CG2 4.14Å; K147-T194 CarbonylContact O-C 3.53Å; K147-T194 WeakPolarHBondContact O-CA 3.39Å; K147-Y195 WeakPolarHBondContact CB-O 3.23Å; K147-Y195 PolarHBondContact O-N 3.44Å; K147-K196 PolarHBondContact NZ-O 3.01Å; K147-K196 VanDerWaalsContact NZ-O 3.08Å | ||
| 148 | K | 85.4 | Confident | 72.5 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.7 | 179.2 | -163.1 | 167.7 | -175.4 | 164.6 | 0 | 111.3 | V146 E177 F192 I193 A222 | V146-K148 PolarHBondContact O-N 3.32Å; V146-K148 VanDerWaalsContact O-N 3.09Å; K148-E177 IonicContact NZ-OE1 2.65Å; K148-E177 PolarHBondContact NZ-OE1 3.29Å; K148-E177 IonicContact NZ-OE2 2.69Å; K148-E177 PolarHBondContact NZ-OE2 3.4Å; K148-F192 HydrophobicContact CD-CB 4.48Å; K148-F192 HydrophobicContact CG-CB 4.38Å; K148-I193 CarbonylContact C-O 3.57Å; K148-I193 VanDerWaalsContact CA-O 3.31Å; K148-I193 WeakPolarHBondContact CA-O 3.48Å; K148-A222 HydrophobicContact CB-CB 3.89Å; K148-A222 HydrophobicContact CD-CB 4.34Å; K148-A222 HydrophobicContact CG-CB 3.69Å; K148-A222 WeakPolarHBondContact O-CB 3.28Å; K148-A222 PolarHBondContact O-N 3.41Å; K148-A222 VanDerWaalsContact O-N 3.13Å |
| 149 | I | 87.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 150 | 171.8 | 63.6 | 163.4 | 0 | 0 | 0 | 110.6 | V151 F167 F192 I193 Y195 V201 V204 M205 I219 | I149-V151 HydrophobicContact CD1-CG2 3.76Å; I149-V151 HydrophobicContact CG1-CG2 4.23Å; I149-F167 HydrophobicContact CD1-CD1 4.43Å; I149-F167 HydrophobicContact CD1-CE1 4.42Å; I149-F192 VanDerWaalsContact O-CA 3.31Å; I149-F192 WeakPolarHBondContact O-CA 3.35Å; I149-I193 HydrophobicContact CD1-CB 4.17Å; I149-I193 HydrophobicContact CD1-CD1 4.41Å; I149-I193 HydrophobicContact CG1-CB 3.73Å; I149-I193 WeakPolarHBondContact CG1-O 3.43Å; I149-I193 PolarHBondContact N-O 2.8Å; I149-I193 PolarHBondContact O-N 3.03Å; I149-Y195 HydrophobicContact CD1-CE2 3.65Å; I149-Y195 HydrophobicContact CG1-CD2 4.49Å; I149-Y195 HydrophobicContact CG1-CE2 3.98Å; I149-V201 HydrophobicContact CG2-CB 4.15Å; I149-V201 HydrophobicContact CG2-CG1 3.49Å; I149-V201 VanDerWaalsContact CG2-CG1 3.49Å; I149-V201 HydrophobicContact CG2-CG2 3.91Å; I149-V204 HydrophobicContact CD1-CG1 3.85Å; I149-M205 HydrophobicContact CG2-CE 3.75Å; I149-I219 HydrophobicContact CB-CG2 4.18Å; I149-I219 HydrophobicContact CD1-CG2 4.05Å |
| 150 | F | 87.6 | Confident | 73.5 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.8 | 168.9 | 170.4 | -91.2 | 0 | 0 | 0 | 108.3 | F190 F192 I219 K220 A222 | F150-F190 HydrophobicContact CD2-CB 4.34Å; F150-F190 HydrophobicContact CD2-CD2 4.3Å; F150-F190 HydrophobicContact CE2-CB 3.43Å; F150-F190 VanDerWaalsContact CE2-CB 3.43Å; F150-F190 HydrophobicContact CE2-CD1 4.31Å; F150-F190 AromaticContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CE2 4.44Å; F150-F190 AromaticContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CZ-CB 3.54Å; F150-F190 HydrophobicContact CZ-CG 4Å; F150-F192 HydrophobicContact CB-CD1 4.17Å; F150-F192 HydrophobicContact CB-CE1 4.03Å; F150-F192 HydrophobicContact CD2-CD1 4.14Å; F150-F192 AromaticContact CD2-CE1 3.57Å; F150-F192 HydrophobicContact CD2-CE1 3.57Å; F150-F192 AromaticContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CE2-CZ 4.35Å; F150-F192 HydrophobicContact CG-CE1 4.29Å; F150-I219 CarbonylContact O-C 3.43Å; F150-I219 WeakPolarHBondContact O-CA 3.37Å; F150-K220 HydrophobicContact CB-CB 4.41Å; F150-K220 HydrophobicContact CD1-CB 4.13Å; F150-K220 PolarHBondContact N-O 2.65Å; F150-K220 PolarHBondContact O-N 2.75Å; F150-A222 HydrophobicContact CB-CB 4.42Å |
| 151 | V | 87.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 104.7 | 175.3 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | I149 L154 F167 F190 V191 I193 C217 E218 I219 | I149-V151 HydrophobicContact CD1-CG2 3.76Å; I149-V151 HydrophobicContact CG1-CG2 4.23Å; V151-L154 HydrophobicContact CB-CD1 4.16Å; V151-L154 HydrophobicContact CG1-CD1 3.64Å; V151-L154 HydrophobicContact CG1-CD2 4.33Å; V151-L154 HydrophobicContact CG1-CG 3.94Å; V151-F167 HydrophobicContact CB-CZ 4.35Å; V151-F167 HydrophobicContact CG1-CE2 3.99Å; V151-F167 HydrophobicContact CG1-CZ 3.67Å; V151-F167 HydrophobicContact CG2-CE1 4.11Å; V151-F167 HydrophobicContact CG2-CE2 4.19Å; V151-F167 HydrophobicContact CG2-CZ 3.73Å; V151-F190 CarbonylContact O-C 3.57Å; V151-F190 WeakPolarHBondContact O-CA 3.37Å; V151-F190 WeakPolarHBondContact O-CB 3.26Å; V151-V191 PolarHBondContact N-O 3.23Å; V151-V191 PolarHBondContact O-N 3.47Å; V151-I193 HydrophobicContact CG2-CD1 4Å; V151-I193 HydrophobicContact CG2-CG1 4.43Å; V151-C217 HydrophobicContact CG1-CB 3.71Å; V151-E218 CarbonylContact C-O 3.56Å; V151-E218 WeakPolarHBondContact CA-O 3.47Å; V151-I219 HydrophobicContact CG1-CG1 4.44Å; V151-I219 HydrophobicContact CG2-CD1 4.45Å; V151-I219 HydrophobicContact CG2-CG1 4.31Å |
| 152 | G | 86.1 | Confident | 76.3 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 6% | 0.062 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 161.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G189 C217 E218 | G152-G189 CarbonylContact C-O 3.6Å; G152-C217 CarbonylContact O-C 3.56Å; G152-C217 WeakPolarHBondContact O-CA 3.33Å; G152-C217 VanDerWaalsContact O-CB 3.22Å; G152-C217 WeakPolarHBondContact O-CB 3.28Å; G152-E218 PolarHBondContact N-O 3.16Å; G152-E218 PolarHBondContact O-N 3.31Å |
| 153 | G | 81.9 | Confident | 77.9 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 79.8 | 19.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G189 | G153-G189 PolarHBondContact N-O 2.71Š|
| 154 | L | 82.1 | Confident | 79.5 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | trans | -79 | 144.3 | 171.4 | -70.4 | 168.4 | 0 | 0 | 0 | 110 | V151 I163 G189 V191 V212 C217 | V151-L154 HydrophobicContact CB-CD1 4.16Å; V151-L154 HydrophobicContact CG1-CD1 3.64Å; V151-L154 HydrophobicContact CG1-CD2 4.33Å; V151-L154 HydrophobicContact CG1-CG 3.94Å; L154-I163 HydrophobicContact CD1-CD1 3.86Å; L154-I163 HydrophobicContact CD1-CG1 4.39Å; L154-G189 PolarHBondContact N-O 3.34Å; L154-G189 CarbonylContact O-C 3.58Å; L154-G189 WeakPolarHBondContact O-CA 3.46Å; L154-V191 HydrophobicContact CD1-CB 3.83Å; L154-V191 HydrophobicContact CD1-CG2 3.56Å; L154-V212 HydrophobicContact CD2-CB 3.78Å; L154-V212 HydrophobicContact CD2-CG1 4.23Å; L154-V212 HydrophobicContact CD2-CG2 4.45Å; L154-C217 HydrophobicContact CD2-CB 3.76Å; L154-C217 HydrophobicContact CG-CB 3.98Å | ||
| 155 | N | 77.9 | Confident | 81.1 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | trans | -67.4 | 134 | 173.9 | -161.3 | -22.4 | 0 | 0 | 0 | 108.7 | D157 T158 S215 | N155-D157 PolarHBondContact O-N 2.68Å; N155-D157 VanDerWaalsContact O-N 3.08Å; N155-D157 PolarHBondContact OD1-N 3.43Å; N155-T158 WeakPolarHBondContact CB-OG1 3.27Å; N155-T158 WeakPolarHBondContact O-CB 3.44Å; N155-T158 PolarHBondContact O-N 2.78Å; N155-T158 PolarHBondContact O-OG1 2.66Å; N155-S215 WeakPolarHBondContact CB-OG 3.41Å | ||
| 156 | P | 74.1 | Confident | 82.6 | Confident | 52 Ų | 52 | 57 Ų | 57 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26 | 172 | 20.2 | -35.9 | 0 | 0 | 0 | 114 | T158 R187 | P156-T158 VanDerWaalsContact C-N 3.3Å; P156-T158 PolarHBondContact O-N 3.4Å; P156-R187 HydrophobicContact CB-CB 3.92Å; P156-R187 WeakPolarHBondContact O-CD 3.47Å; P156-R187 PolarHBondContact O-NH1 3.01Å |
| 157 | D | 77.7 | Confident | 83.6 | Confident | 136 Ų | 136 | 55 Ų | 55 | 73% | 0.727 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -13.7 | 179.3 | -60.6 | -29.9 | 0 | 0 | 0 | 113.2 | N155 A159 | N155-D157 PolarHBondContact O-N 2.68Å; N155-D157 VanDerWaalsContact O-N 3.08Å; N155-D157 PolarHBondContact OD1-N 3.43Å; D157-A159 PolarHBondContact O-N 3.42Å |
| 158 | T | 79.1 | Confident | 83.9 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | trans | -67.7 | 121 | 179.3 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | N155 P156 V162 I163 R187 V212 | N155-T158 WeakPolarHBondContact CB-OG1 3.27Å; N155-T158 WeakPolarHBondContact O-CB 3.44Å; N155-T158 PolarHBondContact O-N 2.78Å; N155-T158 PolarHBondContact O-OG1 2.66Å; P156-T158 VanDerWaalsContact C-N 3.3Å; P156-T158 PolarHBondContact O-N 3.4Å; T158-V162 HydrophobicContact CG2-CB 4.24Å; T158-V162 HydrophobicContact CG2-CG1 4.37Å; T158-I163 HydrophobicContact CG2-CD1 4.09Å; T158-I163 HydrophobicContact CG2-CG1 3.79Å; T158-R187 PolarHBondContact O-NH1 2.87Å; T158-V212 HydrophobicContact CG2-CG1 4.16Å | ||
| 159 | A | 81.6 | Confident | 84 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 26% | 0.256 | 30% | 0.303 | S | S | . | . | trans | -71.2 | 152.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D157 E161 V162 I163 | D157-A159 PolarHBondContact O-N 3.42Å; A159-E161 PolarHBondContact O-N 3.11Å; A159-V162 PolarHBondContact O-N 2.74Å; A159-I163 PolarHBondContact O-N 3.45Å | ||
| 160 | K | 83.6 | Confident | 83.8 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.7 | -40.1 | 174.8 | 177.4 | -176 | 177.2 | -87.9 | 0 | 111.5 | V162 I163 E164 I176 L178 | K160-V162 PolarHBondContact O-N 2.83Å; K160-I163 WeakPolarHBondContact O-CB 3.38Å; K160-I163 PolarHBondContact O-N 3.34Å; K160-I163 VanDerWaalsContact O-N 3.15Å; K160-E164 IonicContact NZ-OE1 3.96Å; K160-E164 IonicContact NZ-OE2 2.7Å; K160-E164 PolarHBondContact NZ-OE2 2.85Å; K160-E164 WeakPolarHBondContact O-CB 3.02Å; K160-E164 PolarHBondContact O-N 3.19Å; K160-I176 HydrophobicContact CG-CD1 4.26Å; K160-I176 HydrophobicContact CG-CG2 4.45Å; K160-L178 HydrophobicContact CB-CD1 4.2Å; K160-L178 HydrophobicContact CD-CD1 4.33Å; K160-L178 HydrophobicContact CG-CD1 4.12Å |
| 161 | E | 86.4 | Confident | 83.6 | Confident | 147 Ų | 147 | 54.6 Ų | 54.6 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.4 | -45.9 | -177.9 | -67.5 | 142.7 | -155.7 | 0 | 0 | 112.1 | A159 I163 E164 E165 | A159-E161 PolarHBondContact O-N 3.11Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 PolarHBondContact O-N 3.14Å; E161-E164 PolarHBondContact O-N 3.34Å; E161-E165 WeakPolarHBondContact O-CB 3.45Å; E161-E165 PolarHBondContact O-N 3.25Å |
| 162 | V | 86.4 | Confident | 83.6 | Confident | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 179 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | T158 A159 K160 Y166 V212 | T158-V162 HydrophobicContact CG2-CB 4.24Å; T158-V162 HydrophobicContact CG2-CG1 4.37Å; A159-V162 PolarHBondContact O-N 2.74Å; K160-V162 PolarHBondContact O-N 2.83Å; V162-Y166 WeakPolarHBondContact O-CB 3.11Å; V162-Y166 PolarHBondContact O-N 3.05Å; V162-Y166 VanDerWaalsContact O-N 3.1Å; V162-V212 HydrophobicContact CG1-CG1 4.03Å |
| 163 | I | 84.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 176.9 | -62.8 | 168.9 | 0 | 0 | 0 | 109 | L154 T158 A159 K160 E161 Y166 F167 L178 V191 I193 V212 | L154-I163 HydrophobicContact CD1-CD1 3.86Å; L154-I163 HydrophobicContact CD1-CG1 4.39Å; T158-I163 HydrophobicContact CG2-CD1 4.09Å; T158-I163 HydrophobicContact CG2-CG1 3.79Å; A159-I163 PolarHBondContact O-N 3.45Å; K160-I163 WeakPolarHBondContact O-CB 3.38Å; K160-I163 PolarHBondContact O-N 3.34Å; K160-I163 VanDerWaalsContact O-N 3.15Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 PolarHBondContact O-N 3.14Å; I163-Y166 PolarHBondContact O-N 2.96Å; I163-F167 HydrophobicContact CB-CD2 4.43Å; I163-F167 HydrophobicContact CG2-CD2 3.51Å; I163-F167 HydrophobicContact CG2-CE2 3.95Å; I163-F167 VanDerWaalsContact O-CB 3.23Å; I163-F167 WeakPolarHBondContact O-CB 3.33Å; I163-F167 VanDerWaalsContact O-CD2 3.23Å; I163-F167 WeakPolarHBondContact O-CD2 3.39Å; I163-F167 PolarHBondContact O-N 3.14Å; I163-L178 HydrophobicContact CD1-CD2 4.22Å; I163-V191 HydrophobicContact CD1-CG2 3.92Å; I163-V191 HydrophobicContact CG2-CG1 4.43Å; I163-I193 HydrophobicContact CG2-CD1 3.84Å; I163-V212 HydrophobicContact CG1-CG1 4.1Å |
| 164 | E | 87.1 | Confident | 84 | Confident | 80 Ų | 80 | 64 Ų | 64 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 179.6 | -172.3 | 164.7 | -173.9 | 0 | 0 | 112.5 | K160 E161 G168 I173 I176 | K160-E164 IonicContact NZ-OE1 3.96Å; K160-E164 IonicContact NZ-OE2 2.7Å; K160-E164 PolarHBondContact NZ-OE2 2.85Å; K160-E164 WeakPolarHBondContact O-CB 3.02Å; K160-E164 PolarHBondContact O-N 3.19Å; E161-E164 PolarHBondContact O-N 3.34Å; E164-G168 WeakPolarHBondContact O-CA 3.25Å; E164-G168 PolarHBondContact O-N 3Å; E164-I173 HydrophobicContact CG-CD1 4.31Å; E164-I176 HydrophobicContact CB-CD1 3.67Å; E164-I176 HydrophobicContact CG-CD1 3.92Å |
| 165 | E | 87.6 | Confident | 84.1 | Confident | 150 Ų | 150 | 66.6 Ų | 66.6 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.7 | -49 | 175.6 | -174.7 | 178.8 | -174.5 | 0 | 0 | 110.8 | E161 T169 | E161-E165 WeakPolarHBondContact O-CB 3.45Å; E161-E165 PolarHBondContact O-N 3.25Å; E165-T169 WeakPolarHBondContact O-CG2 3.36Å; E165-T169 PolarHBondContact O-N 2.92Å |
| 166 | Y | 87.6 | Confident | 84.4 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.1 | -50.6 | -179.5 | -175.3 | -95.1 | 0 | 0 | 0 | 112.3 | V162 I163 G168 T169 F170 H210 V212 | V162-Y166 WeakPolarHBondContact O-CB 3.11Å; V162-Y166 PolarHBondContact O-N 3.05Å; V162-Y166 VanDerWaalsContact O-N 3.1Å; I163-Y166 PolarHBondContact O-N 2.96Å; Y166-G168 VanDerWaalsContact C-N 3.3Å; Y166-G168 PolarHBondContact O-N 3.13Å; Y166-T169 PolarHBondContact O-N 3.37Å; Y166-T169 PolarHBondContact O-OG1 2.8Å; Y166-F170 AromaticContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CD1-CE2 3.97Å; Y166-F170 AromaticContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CZ 4.14Å; Y166-F170 AromaticContact CZ-CE2 3.89Å; Y166-F170 VanDerWaalsContact O-CD2 3.3Å; Y166-F170 WeakPolarHBondContact O-CD2 3.46Å; Y166-F170 WeakPolarHBondContact O-CE2 3.44Å; Y166-H210 HydrophobicContact CE1-CB 3.82Å; Y166-H210 AromaticContact CE1-CG 3.91Å; Y166-H210 AromaticContact CE1-ND1 3.35Å; Y166-H210 WeakPolarHBondContact CE1-ND1 3.21Å; Y166-H210 AromaticContact CZ-ND1 3.6Å; Y166-H210 PolarHBondContact OH-ND1 2.81Å; Y166-V212 HydrophobicContact CD1-CG2 3.42Å; Y166-V212 VanDerWaalsContact CD1-CG2 3.42Å; Y166-V212 HydrophobicContact CD2-CG2 4.47Å; Y166-V212 HydrophobicContact CE1-CG2 3.74Å; Y166-V212 HydrophobicContact CG-CG2 3.82Å |
| 167 | F | 85.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.4 | -22.3 | -178 | -77.8 | -71.6 | 0 | 0 | 0 | 113.1 | I149 V151 I163 T169 F170 I173 I193 Y195 V204 V212 I219 | I149-F167 HydrophobicContact CD1-CD1 4.43Å; I149-F167 HydrophobicContact CD1-CE1 4.42Å; V151-F167 HydrophobicContact CB-CZ 4.35Å; V151-F167 HydrophobicContact CG1-CE2 3.99Å; V151-F167 HydrophobicContact CG1-CZ 3.67Å; V151-F167 HydrophobicContact CG2-CE1 4.11Å; V151-F167 HydrophobicContact CG2-CE2 4.19Å; V151-F167 HydrophobicContact CG2-CZ 3.73Å; I163-F167 HydrophobicContact CB-CD2 4.43Å; I163-F167 HydrophobicContact CG2-CD2 3.51Å; I163-F167 HydrophobicContact CG2-CE2 3.95Å; I163-F167 VanDerWaalsContact O-CB 3.23Å; I163-F167 WeakPolarHBondContact O-CB 3.33Å; I163-F167 VanDerWaalsContact O-CD2 3.23Å; I163-F167 WeakPolarHBondContact O-CD2 3.39Å; I163-F167 PolarHBondContact O-N 3.14Å; F167-T169 VanDerWaalsContact C-N 3.29Å; F167-F170 PolarHBondContact O-N 3.09Å; F167-I173 HydrophobicContact CB-CD1 3.78Å; F167-I193 HydrophobicContact CB-CD1 3.75Å; F167-I193 HydrophobicContact CD1-CD1 3.99Å; F167-I193 HydrophobicContact CD2-CD1 3.41Å; F167-I193 VanDerWaalsContact CD2-CD1 3.41Å; F167-I193 HydrophobicContact CE1-CD1 4.5Å; F167-I193 HydrophobicContact CE2-CD1 3.97Å; F167-I193 HydrophobicContact CG-CD1 3.41Å; F167-I193 VanDerWaalsContact CG-CD1 3.41Å; F167-I193 HydrophobicContact CZ-CD1 4.49Å; F167-Y195 WeakPolarHBondContact CB-OH 3.35Å; F167-Y195 WeakPolarHBondContact CD1-OH 3.32Å; F167-Y195 PolarHBondContact O-OH 2.81Å; F167-V204 HydrophobicContact CD1-CG1 4.18Å; F167-V204 HydrophobicContact CD1-CG2 4.4Å; F167-V204 HydrophobicContact CE1-CG1 3.88Å; F167-V212 HydrophobicContact CE2-CG2 4Å; F167-V212 HydrophobicContact CZ-CG2 4.38Å; F167-I219 HydrophobicContact CE1-CD1 3.51Å; F167-I219 HydrophobicContact CZ-CD1 3.91Å |
| 168 | G | 84.4 | Confident | 85.2 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.6 | -27 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E164 Y166 F170 G171 | E164-G168 WeakPolarHBondContact O-CA 3.25Å; E164-G168 PolarHBondContact O-N 3Å; Y166-G168 VanDerWaalsContact C-N 3.3Å; Y166-G168 PolarHBondContact O-N 3.13Å; G168-F170 PolarHBondContact O-N 2.68Å; G168-G171 WeakPolarHBondContact CA-O 3.46Å; G168-G171 PolarHBondContact O-N 2.97Å |
| 169 | T | 87.3 | Confident | 85.1 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 67% | 0.669 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.9 | 173.4 | 68.6 | 0 | 0 | 0 | 0 | 113.2 | E165 Y166 F167 | E165-T169 WeakPolarHBondContact O-CG2 3.36Å; E165-T169 PolarHBondContact O-N 2.92Å; Y166-T169 PolarHBondContact O-N 3.37Å; Y166-T169 PolarHBondContact O-OG1 2.8Å; F167-T169 VanDerWaalsContact C-N 3.29Å |
| 170 | F | 84.1 | Confident | 85 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -20.1 | -179.2 | -60.8 | -88 | 0 | 0 | 0 | 112.9 | Y166 F167 G168 V204 H210 | Y166-F170 AromaticContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CD1-CE2 3.97Å; Y166-F170 AromaticContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CZ 4.14Å; Y166-F170 AromaticContact CZ-CE2 3.89Å; Y166-F170 VanDerWaalsContact O-CD2 3.3Å; Y166-F170 WeakPolarHBondContact O-CD2 3.46Å; Y166-F170 WeakPolarHBondContact O-CE2 3.44Å; F167-F170 PolarHBondContact O-N 3.09Å; G168-F170 PolarHBondContact O-N 2.68Å; F170-V204 HydrophobicContact CB-CG2 3.33Å; F170-V204 HydrophobicContact CD1-CG2 4.12Å; F170-V204 HydrophobicContact CD2-CG2 4.13Å; F170-V204 HydrophobicContact CG-CG2 3.6Å; F170-H210 AromaticContact CE1-CE1 3.88Å; F170-H210 AromaticContact CZ-CE1 3.53Å; F170-H210 AromaticContact CZ-ND1 3.75Å |
| 171 | G | 84.3 | Confident | 84.5 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 164.8 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G168 I173 Y195 S200 | G168-G171 WeakPolarHBondContact CA-O 3.46Å; G168-G171 PolarHBondContact O-N 2.97Å; G171-I173 PolarHBondContact O-N 3.07Å; G171-Y195 WeakPolarHBondContact O-CE1 3.41Å; G171-S200 WeakPolarHBondContact CA-OG 3.41Å |
| 172 | E | 86.9 | Confident | 83.6 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 53% | 0.533 | 34% | 0.344 | S | S | . | . | trans | -73.6 | 118.8 | -175 | -164.4 | 179.1 | 174.5 | 0 | 0 | 111.7 | Y195 K196 | E172-Y195 WeakPolarHBondContact O-CD1 3.38Å; E172-K196 HydrophobicContact CG-CD 3.97Å; E172-K196 HydrophobicContact CG-CG 4.46Å; E172-K196 PolarHBondContact O-N 3.01Å; E172-K196 WeakPolarHBondContact OE1-CE 3.31Å; E172-K196 IonicContact OE1-NZ 2.68Å; E172-K196 PolarHBondContact OE1-NZ 2.98Å | ||
| 173 | I | 88.6 | Confident | 82.7 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.5 | 179.8 | -59.1 | 171.7 | 0 | 0 | 0 | 109.1 | E164 F167 G171 I176 I193 Y195 | E164-I173 HydrophobicContact CG-CD1 4.31Å; F167-I173 HydrophobicContact CB-CD1 3.78Å; G171-I173 PolarHBondContact O-N 3.07Å; I173-I176 HydrophobicContact CD1-CD1 4.03Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.51Å; I173-I193 HydrophobicContact CB-CG2 4.39Å; I173-I193 HydrophobicContact CD1-CG2 4.09Å; I173-I193 HydrophobicContact CG1-CG2 3.92Å; I173-I193 HydrophobicContact CG2-CG2 3.66Å; I173-Y195 HydrophobicContact CG1-CD1 4.09Å; I173-Y195 HydrophobicContact CG1-CE1 3.68Å |
| 174 | E | 87.1 | Confident | 82 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -50.6 | 173.4 | -167.7 | -177.4 | -176 | 0 | 0 | 111 | T194 K196 | E174-T194 WeakPolarHBondContact CA-O 3.31Å; E174-T194 WeakPolarHBondContact CB-O 3.45Å; E174-T194 PolarHBondContact N-O 2.8Å; E174-K196 HydrophobicContact CB-CG 3.78Å; E174-K196 HydrophobicContact CG-CG 4.2Å |
| 175 | T | 83.4 | Confident | 80.9 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 146 | -178.6 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | T194 | T175-T194 PolarHBondContact N-O 3.47Å; T175-T194 VanDerWaalsContact N-O 3.16Å; T175-T194 PolarHBondContact O-N 2.81Å; T175-T194 WeakPolarHBondContact OG1-CB 3.15Å; T175-T194 PolarHBondContact OG1-OG1 3.47Å |
| 176 | I | 85 | Confident | 79.9 | Confident | 24 Ų | 24 | 78.3 Ų | 78.3 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.2 | 173 | -51.9 | -179.4 | 0 | 0 | 0 | 108.2 | K160 E164 I173 L178 V191 F192 I193 | K160-I176 HydrophobicContact CG-CD1 4.26Å; K160-I176 HydrophobicContact CG-CG2 4.45Å; E164-I176 HydrophobicContact CB-CD1 3.67Å; E164-I176 HydrophobicContact CG-CD1 3.92Å; I173-I176 HydrophobicContact CD1-CD1 4.03Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.51Å; I176-L178 HydrophobicContact CB-CD1 4.45Å; I176-L178 HydrophobicContact CG2-CD1 3.58Å; I176-L178 HydrophobicContact CG2-CG 4.4Å; I176-V191 HydrophobicContact CG2-CG1 3.44Å; I176-V191 VanDerWaalsContact CG2-CG1 3.44Å; I176-F192 CarbonylContact C-O 3.52Å; I176-F192 WeakPolarHBondContact CA-O 3.38Å; I176-I193 HydrophobicContact CG2-CG1 4.31Å |
| 177 | E | 84.3 | Confident | 78.9 | Confident | 87 Ų | 87 | 79.1 Ų | 79.1 | 41% | 0.407 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.3 | 175.3 | -65.1 | 167.8 | -146.1 | 0 | 0 | 109.2 | K148 P179 V191 F192 | K148-E177 IonicContact NZ-OE1 2.65Å; K148-E177 PolarHBondContact NZ-OE1 3.29Å; K148-E177 IonicContact NZ-OE2 2.69Å; K148-E177 PolarHBondContact NZ-OE2 3.4Å; E177-P179 VanDerWaalsContact O-CD 3.28Å; E177-P179 WeakPolarHBondContact O-CD 3.27Å; E177-V191 WeakPolarHBondContact O-CG1 3.09Å; E177-F192 HydrophobicContact CB-CB 4.24Å; E177-F192 PolarHBondContact N-O 2.79Å; E177-F192 PolarHBondContact O-N 2.76Å |
| 178 | L | 83.8 | Confident | 78 | Confident | 43 Ų | 43 | 85 Ų | 85 | 23% | 0.225 | 43% | 0.433 | C | S | . | . | trans | -114.2 | 86 | 175.4 | -63.9 | 89.7 | 0 | 0 | 0 | 109.5 | K160 I163 I176 Q180 V191 | K160-L178 HydrophobicContact CB-CD1 4.2Å; K160-L178 HydrophobicContact CD-CD1 4.33Å; K160-L178 HydrophobicContact CG-CD1 4.12Å; I163-L178 HydrophobicContact CD1-CD2 4.22Å; I176-L178 HydrophobicContact CB-CD1 4.45Å; I176-L178 HydrophobicContact CG2-CD1 3.58Å; I176-L178 HydrophobicContact CG2-CG 4.4Å; L178-Q180 PolarHBondContact O-N 3.49Å; L178-V191 HydrophobicContact CB-CG2 4.36Å; L178-V191 HydrophobicContact CD1-CG1 4.45Å; L178-V191 HydrophobicContact CD2-CG2 3.77Å; L178-V191 HydrophobicContact CG-CB 4.42Å; L178-V191 HydrophobicContact CG-CG1 4.01Å; L178-V191 HydrophobicContact CG-CG2 3.64Å | ||
| 179 | P | 78.3 | Confident | 77.6 | Confident | 41 Ų | 41 | 84.7 Ų | 84.7 | 27% | 0.266 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 121.4 | 177.6 | -26.1 | 38.3 | 0 | 0 | 0 | 111.5 | E177 R188 F190 F192 | E177-P179 VanDerWaalsContact O-CD 3.28Å; E177-P179 WeakPolarHBondContact O-CD 3.27Å; P179-R188 WeakPolarHBondContact O-CB 3.22Å; P179-R188 WeakPolarHBondContact O-CG 3.41Å; P179-R188 PolarHBondContact O-N 3.49Å; P179-F190 HydrophobicContact CB-CE2 3.89Å; P179-F190 HydrophobicContact CB-CZ 4.25Å; P179-F190 HydrophobicContact CG-CE2 3.83Å; P179-F192 HydrophobicContact CG-CD2 3.94Å; P179-F192 HydrophobicContact CG-CE2 3.99Å |
| 180 | Q | 79.4 | Confident | 77.4 | Confident | 98 Ų | 98 | 81.3 Ų | 81.3 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -93 | 151.3 | 172.8 | -55.5 | -176.9 | 8.1 | 0 | 0 | 109.4 | L178 P182 E185 R187 | L178-Q180 PolarHBondContact O-N 3.49Å; Q180-P182 WeakPolarHBondContact O-CD 3.4Å; Q180-E185 PolarHBondContact OE1-O 3.39Å; Q180-R187 HydrophobicContact CG-CG 4.22Å |
| 181 | D | 72.8 | Confident | 77.6 | Confident | 49 Ų | 49 | 79.9 Ų | 79.9 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 120.7 | 177.9 | -163.9 | -44.6 | 0 | 0 | 0 | 108.6 | K183 T184 E185 K186 R188 | D181-K183 PolarHBondContact O-N 3.08Å; D181-K183 VanDerWaalsContact O-N 3.08Å; D181-K183 PolarHBondContact OD1-N 3.13Å; D181-T184 WeakPolarHBondContact CB-OG1 3.39Å; D181-T184 PolarHBondContact O-N 3.4Å; D181-E185 WeakPolarHBondContact O-CA 3.09Å; D181-E185 PolarHBondContact O-N 3.02Å; D181-K186 PolarHBondContact N-O 3.04Å; D181-R188 HydrophobicContact CB-CG 3.85Å |
| 182 | P | 66.9 | Low | 77.7 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 82% | 0.818 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.2 | -177.3 | 26.4 | -35.3 | 0 | 0 | 0 | 113.4 | Q180 | Q180-P182 WeakPolarHBondContact O-CD 3.4Š|
| 183 | K | 68.7 | Low | 77.8 | Confident | 195 Ų | 195 | 75.8 Ų | 75.8 | 85% | 0.848 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -31.6 | -178.8 | -65 | -176.8 | 179.5 | -177.4 | 0 | 113.8 | D181 | D181-K183 PolarHBondContact O-N 3.08Å; D181-K183 VanDerWaalsContact O-N 3.08Å; D181-K183 PolarHBondContact OD1-N 3.13Å |
| 184 | T | 69.4 | Low | 77.7 | Confident | 86 Ų | 86 | 75.5 Ų | 75.5 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -6.8 | -175.4 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | D181 K186 | D181-T184 WeakPolarHBondContact CB-OG1 3.39Å; D181-T184 PolarHBondContact O-N 3.4Å; T184-K186 PolarHBondContact O-N 3.34Å |
| 185 | E | 62.5 | Low | 77.8 | Confident | 163 Ų | 163 | 70.2 Ų | 70.2 | 76% | 0.762 | 35% | 0.35 | S | S | * | . | trans | 54.5 | -3.8 | -173.4 | -152.4 | 170.3 | -161.7 | 0 | 0 | 114.6 | Q180 D181 | Q180-E185 PolarHBondContact OE1-O 3.39Å; D181-E185 WeakPolarHBondContact O-CA 3.09Å; D181-E185 PolarHBondContact O-N 3.02Å | ||
| 186 | K | 67.1 | Low | 77.9 | Confident | 152 Ų | 152 | 71.5 Ų | 71.5 | 66% | 0.661 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -69 | 139.2 | 170 | -68.9 | -177.4 | 179.3 | -173.4 | 0 | 109.6 | D181 T184 R188 | D181-K186 PolarHBondContact N-O 3.04Å; T184-K186 PolarHBondContact O-N 3.34Å; K186-R188 PolarHBondContact O-N 2.99Å |
| 187 | R | 66.6 | Low | 77.8 | Confident | 90 Ų | 90 | 75.5 Ų | 75.5 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -58 | 130 | 174.6 | -53.9 | -161.1 | -177.2 | 131.8 | -10.5 | 108.8 | P156 T158 Q180 G189 | P156-R187 HydrophobicContact CB-CB 3.92Å; P156-R187 WeakPolarHBondContact O-CD 3.47Å; P156-R187 PolarHBondContact O-NH1 3.01Å; T158-R187 PolarHBondContact O-NH1 2.87Å; Q180-R187 HydrophobicContact CG-CG 4.22Å; R187-G189 PolarHBondContact O-N 3.47Å |
| 188 | R | 66.2 | Low | 77.6 | Confident | 123 Ų | 123 | 74.6 Ų | 74.6 | 46% | 0.464 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 131.1 | 166.7 | -53.7 | 179.9 | 76.8 | -171.3 | -2.9 | 104.2 | P179 D181 K186 F190 | P179-R188 WeakPolarHBondContact O-CB 3.22Å; P179-R188 WeakPolarHBondContact O-CG 3.41Å; P179-R188 PolarHBondContact O-N 3.49Å; D181-R188 HydrophobicContact CB-CG 3.85Å; K186-R188 PolarHBondContact O-N 2.99Å; R188-F190 HydrophobicContact CB-CD1 3.6Å; R188-F190 HydrophobicContact CB-CE1 3.22Å; R188-F190 HydrophobicContact CB-CE2 4.5Å; R188-F190 HydrophobicContact CB-CG 4.42Å; R188-F190 HydrophobicContact CB-CZ 3.73Å; R188-F190 HydrophobicContact CG-CE1 4.02Å; R188-F190 HydrophobicContact CG-CZ 4.26Å; R188-F190 PolarHBondContact O-N 3.45Å |
| 189 | G | 76.4 | Confident | 77.5 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -67.5 | 42 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G152 G153 L154 R187 | G152-G189 CarbonylContact C-O 3.6Å; G153-G189 PolarHBondContact N-O 2.71Å; L154-G189 PolarHBondContact N-O 3.34Å; L154-G189 CarbonylContact O-C 3.58Å; L154-G189 WeakPolarHBondContact O-CA 3.46Å; R187-G189 PolarHBondContact O-N 3.47Å |
| 190 | F | 84.4 | Confident | 77.9 | Confident | 37 Ų | 37 | 74 Ų | 74 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 152.3 | 176.2 | 64.9 | -100.3 | 0 | 0 | 0 | 111.3 | F150 V151 P179 R188 F192 | F150-F190 HydrophobicContact CD2-CB 4.34Å; F150-F190 HydrophobicContact CD2-CD2 4.3Å; F150-F190 HydrophobicContact CE2-CB 3.43Å; F150-F190 VanDerWaalsContact CE2-CB 3.43Å; F150-F190 HydrophobicContact CE2-CD1 4.31Å; F150-F190 AromaticContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CE2 4.44Å; F150-F190 AromaticContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CZ-CB 3.54Å; F150-F190 HydrophobicContact CZ-CG 4Å; V151-F190 CarbonylContact O-C 3.57Å; V151-F190 WeakPolarHBondContact O-CA 3.37Å; V151-F190 WeakPolarHBondContact O-CB 3.26Å; P179-F190 HydrophobicContact CB-CE2 3.89Å; P179-F190 HydrophobicContact CB-CZ 4.25Å; P179-F190 HydrophobicContact CG-CE2 3.83Å; R188-F190 HydrophobicContact CB-CD1 3.6Å; R188-F190 HydrophobicContact CB-CE1 3.22Å; R188-F190 HydrophobicContact CB-CE2 4.5Å; R188-F190 HydrophobicContact CB-CG 4.42Å; R188-F190 HydrophobicContact CB-CZ 3.73Å; R188-F190 HydrophobicContact CG-CE1 4.02Å; R188-F190 HydrophobicContact CG-CZ 4.26Å; R188-F190 PolarHBondContact O-N 3.45Å; F190-F192 HydrophobicContact CD2-CD2 4.45Å; F190-F192 AromaticContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CZ 4.48Å; F190-F192 HydrophobicContact CE2-CD2 4.46Å; F190-F192 AromaticContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CZ 4.34Å |
| 191 | V | 86.7 | Confident | 78 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.9 | -178.3 | 174.2 | 0 | 0 | 0 | 0 | 108.8 | V151 L154 I163 I176 E177 L178 I193 | V151-V191 PolarHBondContact N-O 3.23Å; V151-V191 PolarHBondContact O-N 3.47Å; L154-V191 HydrophobicContact CD1-CB 3.83Å; L154-V191 HydrophobicContact CD1-CG2 3.56Å; I163-V191 HydrophobicContact CD1-CG2 3.92Å; I163-V191 HydrophobicContact CG2-CG1 4.43Å; I176-V191 HydrophobicContact CG2-CG1 3.44Å; I176-V191 VanDerWaalsContact CG2-CG1 3.44Å; E177-V191 WeakPolarHBondContact O-CG1 3.09Å; L178-V191 HydrophobicContact CB-CG2 4.36Å; L178-V191 HydrophobicContact CD1-CG1 4.45Å; L178-V191 HydrophobicContact CD2-CG2 3.77Å; L178-V191 HydrophobicContact CG-CB 4.42Å; L178-V191 HydrophobicContact CG-CG1 4.01Å; L178-V191 HydrophobicContact CG-CG2 3.64Å; V191-I193 HydrophobicContact CG1-CG1 3.99Å |
| 192 | F | 88.4 | Confident | 78.5 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.1 | 167.9 | -62.3 | -85.8 | 0 | 0 | 0 | 110 | K148 I149 F150 I176 E177 P179 F190 A222 | K148-F192 HydrophobicContact CD-CB 4.48Å; K148-F192 HydrophobicContact CG-CB 4.38Å; I149-F192 VanDerWaalsContact O-CA 3.31Å; I149-F192 WeakPolarHBondContact O-CA 3.35Å; F150-F192 HydrophobicContact CB-CD1 4.17Å; F150-F192 HydrophobicContact CB-CE1 4.03Å; F150-F192 HydrophobicContact CD2-CD1 4.14Å; F150-F192 AromaticContact CD2-CE1 3.57Å; F150-F192 HydrophobicContact CD2-CE1 3.57Å; F150-F192 AromaticContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CE2-CZ 4.35Å; F150-F192 HydrophobicContact CG-CE1 4.29Å; I176-F192 CarbonylContact C-O 3.52Å; I176-F192 WeakPolarHBondContact CA-O 3.38Å; E177-F192 HydrophobicContact CB-CB 4.24Å; E177-F192 PolarHBondContact N-O 2.79Å; E177-F192 PolarHBondContact O-N 2.76Å; P179-F192 HydrophobicContact CG-CD2 3.94Å; P179-F192 HydrophobicContact CG-CE2 3.99Å; F190-F192 HydrophobicContact CD2-CD2 4.45Å; F190-F192 AromaticContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CZ 4.48Å; F190-F192 HydrophobicContact CE2-CD2 4.46Å; F190-F192 AromaticContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CZ 4.34Å; F192-A222 HydrophobicContact CD1-CB 3.97Å; F192-A222 HydrophobicContact CE1-CB 4.18Å |
| 193 | I | 87.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.1 | 178.7 | -55.5 | 178.1 | 0 | 0 | 0 | 107.5 | K148 I149 V151 I163 F167 I173 I176 V191 Y195 | K148-I193 CarbonylContact C-O 3.57Å; K148-I193 VanDerWaalsContact CA-O 3.31Å; K148-I193 WeakPolarHBondContact CA-O 3.48Å; I149-I193 HydrophobicContact CD1-CB 4.17Å; I149-I193 HydrophobicContact CD1-CD1 4.41Å; I149-I193 HydrophobicContact CG1-CB 3.73Å; I149-I193 WeakPolarHBondContact CG1-O 3.43Å; I149-I193 PolarHBondContact N-O 2.8Å; I149-I193 PolarHBondContact O-N 3.03Å; V151-I193 HydrophobicContact CG2-CD1 4Å; V151-I193 HydrophobicContact CG2-CG1 4.43Å; I163-I193 HydrophobicContact CG2-CD1 3.84Å; F167-I193 HydrophobicContact CB-CD1 3.75Å; F167-I193 HydrophobicContact CD1-CD1 3.99Å; F167-I193 HydrophobicContact CD2-CD1 3.41Å; F167-I193 VanDerWaalsContact CD2-CD1 3.41Å; F167-I193 HydrophobicContact CE1-CD1 4.5Å; F167-I193 HydrophobicContact CE2-CD1 3.97Å; F167-I193 HydrophobicContact CG-CD1 3.41Å; F167-I193 VanDerWaalsContact CG-CD1 3.41Å; F167-I193 HydrophobicContact CZ-CD1 4.49Å; I173-I193 HydrophobicContact CB-CG2 4.39Å; I173-I193 HydrophobicContact CD1-CG2 4.09Å; I173-I193 HydrophobicContact CG1-CG2 3.92Å; I173-I193 HydrophobicContact CG2-CG2 3.66Å; I176-I193 HydrophobicContact CG2-CG1 4.31Å; V191-I193 HydrophobicContact CG1-CG1 3.99Å; I193-Y195 HydrophobicContact CB-CE2 4.5Å; I193-Y195 HydrophobicContact CG2-CD2 4.23Å; I193-Y195 HydrophobicContact CG2-CE2 3.85Å |
| 194 | T | 87.5 | Confident | 80.1 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.2 | 171.9 | -45.3 | 0 | 0 | 0 | 0 | 108.1 | K147 E174 T175 | K147-T194 HydrophobicContact CB-CG2 4.14Å; K147-T194 CarbonylContact O-C 3.53Å; K147-T194 WeakPolarHBondContact O-CA 3.39Å; E174-T194 WeakPolarHBondContact CA-O 3.31Å; E174-T194 WeakPolarHBondContact CB-O 3.45Å; E174-T194 PolarHBondContact N-O 2.8Å; T175-T194 PolarHBondContact N-O 3.47Å; T175-T194 VanDerWaalsContact N-O 3.16Å; T175-T194 PolarHBondContact O-N 2.81Å; T175-T194 WeakPolarHBondContact OG1-CB 3.15Å; T175-T194 PolarHBondContact OG1-OG1 3.47Å |
| 195 | Y | 89 | Confident | 80.7 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 150.1 | 175 | -73.8 | -83.8 | 0 | 0 | 0 | 111.3 | K147 I149 F167 G171 E172 I173 I193 E197 V201 V204 | K147-Y195 WeakPolarHBondContact CB-O 3.23Å; K147-Y195 PolarHBondContact O-N 3.44Å; I149-Y195 HydrophobicContact CD1-CE2 3.65Å; I149-Y195 HydrophobicContact CG1-CD2 4.49Å; I149-Y195 HydrophobicContact CG1-CE2 3.98Å; F167-Y195 WeakPolarHBondContact CB-OH 3.35Å; F167-Y195 WeakPolarHBondContact CD1-OH 3.32Å; F167-Y195 PolarHBondContact O-OH 2.81Å; G171-Y195 WeakPolarHBondContact O-CE1 3.41Å; E172-Y195 WeakPolarHBondContact O-CD1 3.38Å; I173-Y195 HydrophobicContact CG1-CD1 4.09Å; I173-Y195 HydrophobicContact CG1-CE1 3.68Å; I193-Y195 HydrophobicContact CB-CE2 4.5Å; I193-Y195 HydrophobicContact CG2-CD2 4.23Å; I193-Y195 HydrophobicContact CG2-CE2 3.85Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 WeakPolarHBondContact CB-O 3.35Å; Y195-V201 HydrophobicContact CD2-CG2 3.7Å; Y195-V201 HydrophobicContact CG-CG2 4.29Å; Y195-V204 HydrophobicContact CE2-CG2 4.27Å; Y195-V204 WeakPolarHBondContact OH-CG2 3.12Å |
| 196 | K | 85.6 | Confident | 81.7 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -65.9 | -41.7 | 170.3 | -66.4 | -169.1 | -175.5 | 176 | 0 | 111.3 | K147 E172 E174 | K147-K196 PolarHBondContact NZ-O 3.01Å; K147-K196 VanDerWaalsContact NZ-O 3.08Å; E172-K196 HydrophobicContact CG-CD 3.97Å; E172-K196 HydrophobicContact CG-CG 4.46Å; E172-K196 PolarHBondContact O-N 3.01Å; E172-K196 WeakPolarHBondContact OE1-CE 3.31Å; E172-K196 IonicContact OE1-NZ 2.68Å; E172-K196 PolarHBondContact OE1-NZ 2.98Å; E174-K196 HydrophobicContact CB-CG 3.78Å; E174-K196 HydrophobicContact CG-CG 4.2Å |
| 197 | E | 82 | Confident | 82.3 | Confident | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -104.4 | 132.1 | -173.8 | -67.7 | -59.3 | 152.1 | 0 | 0 | 112.2 | Y195 P199 S200 | Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 WeakPolarHBondContact CB-O 3.35Å; E197-P199 HydrophobicContact CB-CG 4.04Å; E197-S200 WeakPolarHBondContact O-CB 3.3Å; E197-S200 PolarHBondContact O-N 2.81Å; E197-S200 PolarHBondContact O-OG 3.31Å |
| 198 | E | 80.6 | Confident | 82.6 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.4 | -43 | 170.5 | 178.8 | -175.7 | 159.2 | 0 | 0 | 114.3 | P145 S200 V201 K202 | P145-E198 HydrophobicContact CB-CB 4.43Å; P145-E198 HydrophobicContact CB-CG 3.64Å; P145-E198 VanDerWaalsContact CB-OE2 3.28Å; P145-E198 WeakPolarHBondContact CB-OE2 3.36Å; P145-E198 HydrophobicContact CG-CG 4.42Å; P145-E198 VanDerWaalsContact CG-OE2 3.27Å; P145-E198 WeakPolarHBondContact CG-OE2 3.4Å; E198-S200 PolarHBondContact O-N 3.01Å; E198-S200 VanDerWaalsContact O-N 3.13Å; E198-V201 WeakPolarHBondContact O-CB 3.43Å; E198-V201 PolarHBondContact O-N 2.79Å; E198-V201 VanDerWaalsContact O-N 3.08Å; E198-K202 PolarHBondContact O-N 3.29Å; E198-K202 VanDerWaalsContact OE1-CE 3.26Å; E198-K202 WeakPolarHBondContact OE1-CE 3.48Å; E198-K202 IonicContact OE1-NZ 2.97Å; E198-K202 PolarHBondContact OE1-NZ 3.47Å |
| 199 | P | 82.3 | Confident | 83.4 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -25.8 | -178.4 | 22.2 | -35.3 | 0 | 0 | 0 | 113.2 | E197 V201 K202 K203 | E197-P199 HydrophobicContact CB-CG 4.04Å; P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 2.84Å; P199-K202 PolarHBondContact O-N 3.26Å; P199-K203 WeakPolarHBondContact O-CG 3.46Å; P199-K203 PolarHBondContact O-N 2.96Å |
| 200 | S | 85.3 | Confident | 83.8 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.5 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | G171 E197 E198 K202 K203 V204 | G171-S200 WeakPolarHBondContact CA-OG 3.41Å; E197-S200 WeakPolarHBondContact O-CB 3.3Å; E197-S200 PolarHBondContact O-N 2.81Å; E197-S200 PolarHBondContact O-OG 3.31Å; E198-S200 PolarHBondContact O-N 3.01Å; E198-S200 VanDerWaalsContact O-N 3.13Å; S200-K202 PolarHBondContact O-N 3.3Å; S200-K203 PolarHBondContact O-N 3.27Å; S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.47Å; S200-V204 PolarHBondContact O-N 3.08Å; S200-V204 VanDerWaalsContact O-N 3.07Å |
| 201 | V | 82.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | I149 Y195 E198 P199 V204 M205 | I149-V201 HydrophobicContact CG2-CB 4.15Å; I149-V201 HydrophobicContact CG2-CG1 3.49Å; I149-V201 VanDerWaalsContact CG2-CG1 3.49Å; I149-V201 HydrophobicContact CG2-CG2 3.91Å; Y195-V201 HydrophobicContact CD2-CG2 3.7Å; Y195-V201 HydrophobicContact CG-CG2 4.29Å; E198-V201 WeakPolarHBondContact O-CB 3.43Å; E198-V201 PolarHBondContact O-N 2.79Å; E198-V201 VanDerWaalsContact O-N 3.08Å; P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 2.84Å; V201-V204 PolarHBondContact O-N 2.67Å; V201-M205 HydrophobicContact CG1-CE 3.75Å; V201-M205 HydrophobicContact CG1-CG 4.44Å; V201-M205 HydrophobicContact CG1-SD 3.95Å; V201-M205 WeakPolarHBondContact O-CB 3.42Å; V201-M205 VanDerWaalsContact O-CG 3.32Å; V201-M205 WeakPolarHBondContact O-CG 3.34Å; V201-M205 PolarHBondContact O-N 3.41Å |
| 202 | K | 83.4 | Confident | 83.5 | Confident | 133 Ų | 133 | 65.9 Ų | 65.9 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 178.9 | -75.3 | 171.9 | 169 | 162 | 0 | 111.9 | E198 P199 S200 V204 M205 E206 | E198-K202 PolarHBondContact O-N 3.29Å; E198-K202 VanDerWaalsContact OE1-CE 3.26Å; E198-K202 WeakPolarHBondContact OE1-CE 3.48Å; E198-K202 IonicContact OE1-NZ 2.97Å; E198-K202 PolarHBondContact OE1-NZ 3.47Å; P199-K202 PolarHBondContact O-N 3.26Å; S200-K202 PolarHBondContact O-N 3.3Å; K202-V204 VanDerWaalsContact C-N 3.34Å; K202-V204 PolarHBondContact O-N 3.42Å; K202-M205 PolarHBondContact O-N 2.99Å; K202-E206 PolarHBondContact O-N 3.36Å |
| 203 | K | 84.4 | Confident | 82.6 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.1 | -72.4 | 175.2 | -178.6 | 179.6 | 0 | 112.4 | P199 S200 E206 | P199-K203 WeakPolarHBondContact O-CG 3.46Å; P199-K203 PolarHBondContact O-N 2.96Å; S200-K203 PolarHBondContact O-N 3.27Å; K203-E206 WeakPolarHBondContact O-CB 3.23Å; K203-E206 PolarHBondContact O-N 3.1Å |
| 204 | V | 83.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | I149 F167 F170 Y195 S200 V201 K202 E206 K207 H210 I219 | I149-V204 HydrophobicContact CD1-CG1 3.85Å; F167-V204 HydrophobicContact CD1-CG1 4.18Å; F167-V204 HydrophobicContact CD1-CG2 4.4Å; F167-V204 HydrophobicContact CE1-CG1 3.88Å; F170-V204 HydrophobicContact CB-CG2 3.33Å; F170-V204 HydrophobicContact CD1-CG2 4.12Å; F170-V204 HydrophobicContact CD2-CG2 4.13Å; F170-V204 HydrophobicContact CG-CG2 3.6Å; Y195-V204 HydrophobicContact CE2-CG2 4.27Å; Y195-V204 WeakPolarHBondContact OH-CG2 3.12Å; S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.47Å; S200-V204 PolarHBondContact O-N 3.08Å; S200-V204 VanDerWaalsContact O-N 3.07Å; V201-V204 PolarHBondContact O-N 2.67Å; K202-V204 VanDerWaalsContact C-N 3.34Å; K202-V204 PolarHBondContact O-N 3.42Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 3Å; V204-K207 PolarHBondContact O-N 2.65Å; V204-H210 PolarHBondContact O-NE2 3.24Å; V204-I219 HydrophobicContact CG1-CD1 3.12Å; V204-I219 HydrophobicContact CG1-CG1 4.38Å; V204-I219 HydrophobicContact CG1-CG2 4.04Å |
| 205 | M | 82 | Confident | 81.7 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 28% | 0.276 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.4 | -17.5 | 178.3 | -74.2 | -174.3 | 179 | 0 | 0 | 114.6 | I149 V201 K202 K207 I219 I221 | I149-M205 HydrophobicContact CG2-CE 3.75Å; V201-M205 HydrophobicContact CG1-CE 3.75Å; V201-M205 HydrophobicContact CG1-CG 4.44Å; V201-M205 HydrophobicContact CG1-SD 3.95Å; V201-M205 WeakPolarHBondContact O-CB 3.42Å; V201-M205 VanDerWaalsContact O-CG 3.32Å; V201-M205 WeakPolarHBondContact O-CG 3.34Å; V201-M205 PolarHBondContact O-N 3.41Å; K202-M205 PolarHBondContact O-N 2.99Å; M205-K207 PolarHBondContact O-N 3.22Å; M205-I219 HydrophobicContact CE-CG2 4.49Å; M205-I219 HydrophobicContact CG-CG2 4.48Å; M205-I221 HydrophobicContact CE-CB 4.06Å; M205-I221 HydrophobicContact CE-CD1 4.48Å; M205-I221 HydrophobicContact CE-CG1 3.29Å; M205-I221 HydrophobicContact SD-CD1 4.22Å; M205-I221 HydrophobicContact SD-CG1 3.6Å; M205-I221 VanDerWaalsContact SD-CG1 3.6Å |
| 206 | E | 82.4 | Confident | 81.5 | Confident | 161 Ų | 161 | 76 Ų | 76 | 75% | 0.752 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.8 | -35.1 | 174.2 | -166.6 | 175.3 | 176.7 | 0 | 0 | 111.2 | K202 K203 V204 | K202-E206 PolarHBondContact O-N 3.36Å; K203-E206 WeakPolarHBondContact O-CB 3.23Å; K203-E206 PolarHBondContact O-N 3.1Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 3Å |
| 207 | K | 79.8 | Confident | 81.6 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -98 | 108.5 | 173.6 | -70.8 | 177.6 | -175.4 | 176.5 | 0 | 109.6 | V204 M205 Y209 H210 | V204-K207 PolarHBondContact O-N 2.65Å; M205-K207 PolarHBondContact O-N 3.22Å; K207-Y209 PolarHBondContact O-N 2.83Å; K207-Y209 VanDerWaalsContact O-N 3.14Å; K207-H210 WeakPolarHBondContact CB-NE2 3.43Å; K207-H210 PolarHBondContact O-CD2 2.82Å; K207-H210 PolarHBondContact O-NE2 2.84Å |
| 208 | K | 74.3 | Confident | 81.7 | Confident | 162 Ų | 162 | 70.1 Ų | 70.1 | 70% | 0.704 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -59.5 | -26.8 | 178.9 | -69 | -175.8 | 177.8 | 178.6 | 0 | 114 | ||
| 209 | Y | 83.6 | Confident | 82 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 50% | 0.502 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136.3 | -179.7 | -57.5 | -73 | 0 | 0 | 0 | 110.6 | K207 K216 C217 E218 | K207-Y209 PolarHBondContact O-N 2.83Å; K207-Y209 VanDerWaalsContact O-N 3.14Å; Y209-K216 VanDerWaalsContact CB-CE 3.42Å; Y209-K216 HydrophobicContact CD1-CD 4.37Å; Y209-K216 HydrophobicContact CD1-CG 4.39Å; Y209-K216 HydrophobicContact CG-CD 4.48Å; Y209-C217 WeakPolarHBondContact CA-O 3.15Å; Y209-E218 HydrophobicContact CE1-CG 4.4Å |
| 210 | H | 83.8 | Confident | 82.1 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 160.7 | 173.2 | -69 | -103.2 | 0 | 0 | 0 | 109.5 | Y166 F170 V204 K207 K216 C217 I219 | Y166-H210 HydrophobicContact CE1-CB 3.82Å; Y166-H210 AromaticContact CE1-CG 3.91Å; Y166-H210 AromaticContact CE1-ND1 3.35Å; Y166-H210 WeakPolarHBondContact CE1-ND1 3.21Å; Y166-H210 AromaticContact CZ-ND1 3.6Å; Y166-H210 PolarHBondContact OH-ND1 2.81Å; F170-H210 AromaticContact CE1-CE1 3.88Å; F170-H210 AromaticContact CZ-CE1 3.53Å; F170-H210 AromaticContact CZ-ND1 3.75Å; V204-H210 PolarHBondContact O-NE2 3.24Å; K207-H210 WeakPolarHBondContact CB-NE2 3.43Å; K207-H210 PolarHBondContact O-CD2 2.82Å; K207-H210 PolarHBondContact O-NE2 2.84Å; H210-K216 CarbonylContact O-C 3.53Å; H210-K216 WeakPolarHBondContact O-CA 3.46Å; H210-C217 VanDerWaalsContact C-SG 3.55Å; H210-C217 WeakPolarHBondContact CB-SG 3.37Å; H210-C217 PolarHBondContact N-O 2.69Å; H210-C217 PolarHBondContact O-N 2.74Å; H210-C217 PolarHBondContact O-SG 3.1Å; H210-I219 HydrophobicContact CB-CD1 4.49Å; H210-I219 WeakPolarHBondContact CD2-CD1 3.48Å; H210-I219 WeakPolarHBondContact NE2-CD1 3.19Å |
| 211 | T | 83.4 | Confident | 82 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 56% | 0.564 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 114 | 176 | -55.9 | 0 | 0 | 0 | 0 | 107.7 | S215 | T211-S215 WeakPolarHBondContact CA-O 3.44Å |
| 212 | V | 80.6 | Confident | 81.5 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.018 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.3 | -176.7 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | L154 T158 V162 I163 Y166 F167 G214 S215 | L154-V212 HydrophobicContact CD2-CB 3.78Å; L154-V212 HydrophobicContact CD2-CG1 4.23Å; L154-V212 HydrophobicContact CD2-CG2 4.45Å; T158-V212 HydrophobicContact CG2-CG1 4.16Å; V162-V212 HydrophobicContact CG1-CG1 4.03Å; I163-V212 HydrophobicContact CG1-CG1 4.1Å; Y166-V212 HydrophobicContact CD1-CG2 3.42Å; Y166-V212 VanDerWaalsContact CD1-CG2 3.42Å; Y166-V212 HydrophobicContact CD2-CG2 4.47Å; Y166-V212 HydrophobicContact CE1-CG2 3.74Å; Y166-V212 HydrophobicContact CG-CG2 3.82Å; F167-V212 HydrophobicContact CE2-CG2 4Å; F167-V212 HydrophobicContact CZ-CG2 4.38Å; V212-G214 PolarHBondContact O-N 2.8Å; V212-S215 PolarHBondContact N-O 2.97Å; V212-S215 PolarHBondContact O-N 3.41Å; V212-S215 VanDerWaalsContact O-N 3.1Å |
| 213 | G | 70.2 | Confident | 80.8 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 31.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S215 | G213-S215 VanDerWaalsContact C-N 3.27Å; G213-S215 PolarHBondContact O-N 2.81Å |
| 214 | G | 76.4 | Confident | 79.7 | Confident | 74 Ų | 74 | 70.2 Ų | 70.2 | 76% | 0.763 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 4.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V212 | V212-G214 PolarHBondContact O-N 2.8Š|
| 215 | S | 80.5 | Confident | 78.4 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.5 | 175.2 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | N155 T211 V212 G213 C217 | N155-S215 WeakPolarHBondContact CB-OG 3.41Å; T211-S215 WeakPolarHBondContact CA-O 3.44Å; V212-S215 PolarHBondContact N-O 2.97Å; V212-S215 PolarHBondContact O-N 3.41Å; V212-S215 VanDerWaalsContact O-N 3.1Å; G213-S215 VanDerWaalsContact C-N 3.27Å; G213-S215 PolarHBondContact O-N 2.81Å; S215-C217 PolarHBondContact O-N 2.83Å |
| 216 | K | 84.7 | Confident | 77.2 | Confident | 131 Ų | 131 | 83.5 Ų | 83.5 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114.3 | 176.3 | -176 | 178.9 | 178 | -177.8 | 0 | 109.3 | Y209 H210 | Y209-K216 VanDerWaalsContact CB-CE 3.42Å; Y209-K216 HydrophobicContact CD1-CD 4.37Å; Y209-K216 HydrophobicContact CD1-CG 4.39Å; Y209-K216 HydrophobicContact CG-CD 4.48Å; H210-K216 CarbonylContact O-C 3.53Å; H210-K216 WeakPolarHBondContact O-CA 3.46Å |
| 217 | C | 86.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 146.3 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | V151 G152 L154 Y209 H210 S215 | V151-C217 HydrophobicContact CG1-CB 3.71Å; G152-C217 CarbonylContact O-C 3.56Å; G152-C217 WeakPolarHBondContact O-CA 3.33Å; G152-C217 VanDerWaalsContact O-CB 3.22Å; G152-C217 WeakPolarHBondContact O-CB 3.28Å; L154-C217 HydrophobicContact CD2-CB 3.76Å; L154-C217 HydrophobicContact CG-CB 3.98Å; Y209-C217 WeakPolarHBondContact CA-O 3.15Å; H210-C217 VanDerWaalsContact C-SG 3.55Å; H210-C217 WeakPolarHBondContact CB-SG 3.37Å; H210-C217 PolarHBondContact N-O 2.69Å; H210-C217 PolarHBondContact O-N 2.74Å; H210-C217 PolarHBondContact O-SG 3.1Å; S215-C217 PolarHBondContact O-N 2.83Å |
| 218 | E | 84.7 | Confident | 74.9 | Confident | 72 Ų | 72 | 79.8 Ų | 79.8 | 34% | 0.336 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.5 | 176.5 | -175.9 | -171 | -161.6 | 0 | 0 | 109.1 | V151 G152 Y209 K220 | V151-E218 CarbonylContact C-O 3.56Å; V151-E218 WeakPolarHBondContact CA-O 3.47Å; G152-E218 PolarHBondContact N-O 3.16Å; G152-E218 PolarHBondContact O-N 3.31Å; Y209-E218 HydrophobicContact CE1-CG 4.4Å; E218-K220 VanDerWaalsContact CD-CE 3.44Å; E218-K220 WeakPolarHBondContact OE1-CE 3.35Å; E218-K220 IonicContact OE1-NZ 2.61Å; E218-K220 PolarHBondContact OE1-NZ 3.31Å; E218-K220 IonicContact OE2-NZ 3.2Å; E218-K220 PolarHBondContact OE2-NZ 3.26Å |
| 219 | I | 87.2 | Confident | 73.7 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.7 | -178.1 | -52.1 | -172.8 | 0 | 0 | 0 | 110.4 | I149 F150 V151 F167 V204 M205 H210 | I149-I219 HydrophobicContact CB-CG2 4.18Å; I149-I219 HydrophobicContact CD1-CG2 4.05Å; F150-I219 CarbonylContact O-C 3.43Å; F150-I219 WeakPolarHBondContact O-CA 3.37Å; V151-I219 HydrophobicContact CG1-CG1 4.44Å; V151-I219 HydrophobicContact CG2-CD1 4.45Å; V151-I219 HydrophobicContact CG2-CG1 4.31Å; F167-I219 HydrophobicContact CE1-CD1 3.51Å; F167-I219 HydrophobicContact CZ-CD1 3.91Å; V204-I219 HydrophobicContact CG1-CD1 3.12Å; V204-I219 HydrophobicContact CG1-CG1 4.38Å; V204-I219 HydrophobicContact CG1-CG2 4.04Å; M205-I219 HydrophobicContact CE-CG2 4.49Å; M205-I219 HydrophobicContact CG-CG2 4.48Å; H210-I219 HydrophobicContact CB-CD1 4.49Å; H210-I219 WeakPolarHBondContact CD2-CD1 3.48Å; H210-I219 WeakPolarHBondContact NE2-CD1 3.19Å |
| 220 | K | 84.7 | Confident | 72.4 | Confident | 101 Ų | 101 | 78 Ų | 78 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154.3 | 177.4 | -69.8 | 176.4 | 168.4 | 140.3 | 0 | 110.2 | F150 E218 A222 | F150-K220 HydrophobicContact CB-CB 4.41Å; F150-K220 HydrophobicContact CD1-CB 4.13Å; F150-K220 PolarHBondContact N-O 2.65Å; F150-K220 PolarHBondContact O-N 2.75Å; E218-K220 VanDerWaalsContact CD-CE 3.44Å; E218-K220 WeakPolarHBondContact OE1-CE 3.35Å; E218-K220 IonicContact OE1-NZ 2.61Å; E218-K220 PolarHBondContact OE1-NZ 3.31Å; E218-K220 IonicContact OE2-NZ 3.2Å; E218-K220 PolarHBondContact OE2-NZ 3.26Å; K220-A222 PolarHBondContact O-N 3.08Å |
| 221 | I | 81.7 | Confident | 71.1 | Confident | 98 Ų | 98 | 84.4 Ų | 84.4 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 123.4 | 166.3 | -77.8 | 173.4 | 0 | 0 | 0 | 107.5 | V146 M205 Q223 | V146-I221 HydrophobicContact CB-CG2 4.18Å; V146-I221 HydrophobicContact CG1-CG2 4.13Å; V146-I221 HydrophobicContact CG2-CB 3.93Å; V146-I221 HydrophobicContact CG2-CD1 4.28Å; V146-I221 HydrophobicContact CG2-CG1 3.79Å; V146-I221 HydrophobicContact CG2-CG2 3.26Å; M205-I221 HydrophobicContact CE-CB 4.06Å; M205-I221 HydrophobicContact CE-CD1 4.48Å; M205-I221 HydrophobicContact CE-CG1 3.29Å; M205-I221 HydrophobicContact SD-CD1 4.22Å; M205-I221 HydrophobicContact SD-CG1 3.6Å; M205-I221 VanDerWaalsContact SD-CG1 3.6Å; I221-Q223 PolarHBondContact O-N 2.83Å; I221-Q223 VanDerWaalsContact O-N 3.14Å |
| 222 | A | 73.3 | Confident | 69.5 | Low | 7 Ų | 7 | 85.8 Ų | 85.8 | 6% | 0.058 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -69 | 116.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | K148 F150 F192 K220 | K148-A222 HydrophobicContact CB-CB 3.89Å; K148-A222 HydrophobicContact CD-CB 4.34Å; K148-A222 HydrophobicContact CG-CB 3.69Å; K148-A222 WeakPolarHBondContact O-CB 3.28Å; K148-A222 PolarHBondContact O-N 3.41Å; K148-A222 VanDerWaalsContact O-N 3.13Å; F150-A222 HydrophobicContact CB-CB 4.42Å; F192-A222 HydrophobicContact CD1-CB 3.97Å; F192-A222 HydrophobicContact CE1-CB 4.18Å; K220-A222 PolarHBondContact O-N 3.08Å |
| 223 | Q | 68.4 | Low | 67.9 | Low | 102 Ų | 102 | 93.8 Ų | 93.8 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 139.6 | 169.4 | -66.1 | -174.4 | -6.8 | 0 | 0 | 108.8 | I221 K225 | I221-Q223 PolarHBondContact O-N 2.83Å; I221-Q223 VanDerWaalsContact O-N 3.14Å; Q223-K225 PolarHBondContact O-N 3.49Å |
| 224 | P | 62.7 | Low | 66.7 | Low | 80 Ų | 80 | 94.8 Ų | 94.8 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 141.7 | 173 | 24.2 | -31.5 | 0 | 0 | 0 | 109.5 | E226 V227 Y228 | P224-E226 PolarHBondContact O-N 3.25Å; P224-V227 HydrophobicContact CG-CB 4.24Å; P224-V227 HydrophobicContact CG-CG2 3.76Å; P224-V227 PolarHBondContact O-N 2.98Å; P224-Y228 PolarHBondContact O-N 3.26Å |
| 225 | K | 56.7 | Low | 65.3 | Low | 171 Ų | 171 | 95.5 Ų | 95.5 | 74% | 0.743 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -52.4 | -30.8 | -175.6 | -172.4 | 178.5 | 177.3 | -176.7 | 0 | 113 | Q223 Y228 M229 | Q223-K225 PolarHBondContact O-N 3.49Å; K225-Y228 PolarHBondContact O-N 2.96Å; K225-M229 PolarHBondContact O-N 3.41Å |
| 226 | E | 55.4 | Low | 63.5 | Low | 163 Ų | 163 | 105.5 Ų | 105.5 | 76% | 0.762 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -40.8 | 179.4 | -165.5 | 161.4 | -162.3 | 0 | 0 | 113 | P224 M229 Q230 | P224-E226 PolarHBondContact O-N 3.25Å; E226-M229 PolarHBondContact O-N 3.3Å; E226-Q230 PolarHBondContact O-N 3.43Å |
| 227 | V | 56.4 | Low | 61.8 | Low | 63 Ų | 63 | 101.9 Ų | 101.9 | 38% | 0.382 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | P224 Q230 Q231 | P224-V227 HydrophobicContact CG-CB 4.24Å; P224-V227 HydrophobicContact CG-CG2 3.76Å; P224-V227 PolarHBondContact O-N 2.98Å; V227-Q230 PolarHBondContact O-N 3.21Å; V227-Q231 WeakPolarHBondContact O-CB 3.43Å; V227-Q231 PolarHBondContact O-N 3.4Å |
| 228 | Y | 57 | Low | 59.8 | Low | 136 Ų | 136 | 113.4 Ų | 113.4 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.5 | -40.7 | 176.8 | -169.2 | -93.7 | 0 | 0 | 0 | 112.3 | P224 K225 Q231 Q232 | P224-Y228 PolarHBondContact O-N 3.26Å; K225-Y228 PolarHBondContact O-N 2.96Å; Y228-Q231 PolarHBondContact O-N 3.28Å; Y228-Q232 PolarHBondContact O-N 2.7Å; Y228-Q232 VanDerWaalsContact O-N 3.11Å |
| 229 | M | 50.5 | Low | 57.5 | Low | 101 Ų | 101 | 113.7 Ų | 113.7 | 50% | 0.498 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.1 | -41.8 | 173.2 | -83.2 | -176.5 | 68.7 | 0 | 0 | 111.7 | K225 E226 Q231 Q232 Y233 | K225-M229 PolarHBondContact O-N 3.41Å; E226-M229 PolarHBondContact O-N 3.3Å; M229-Q231 VanDerWaalsContact C-N 3.31Å; M229-Q231 PolarHBondContact O-N 3.15Å; M229-Q232 PolarHBondContact O-N 2.73Å; M229-Y233 WeakPolarHBondContact O-CB 3.35Å; M229-Y233 VanDerWaalsContact O-CD2 3.27Å; M229-Y233 WeakPolarHBondContact O-CD2 3.4Å; M229-Y233 PolarHBondContact O-N 3.38Å |
| 230 | Q | 55.3 | Low | 55.3 | Low | 151 Ų | 151 | 116.1 Ų | 116.1 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.9 | -34.6 | 179.5 | -164.4 | 169.1 | 47.5 | 0 | 0 | 112.6 | E226 V227 G234 | E226-Q230 PolarHBondContact O-N 3.43Å; V227-Q230 PolarHBondContact O-N 3.21Å; Q230-G234 WeakPolarHBondContact O-CA 3.37Å; Q230-G234 PolarHBondContact O-N 3.02Å |
| 231 | Q | 56.9 | Low | 53.1 | Low | 137 Ų | 137 | 123.8 Ų | 123.8 | 64% | 0.64 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.1 | -32.9 | 179.8 | -152.8 | 162.6 | 64.2 | 0 | 0 | 112.8 | V227 Y228 M229 | V227-Q231 WeakPolarHBondContact O-CB 3.43Å; V227-Q231 PolarHBondContact O-N 3.4Å; Y228-Q231 PolarHBondContact O-N 3.28Å; M229-Q231 VanDerWaalsContact C-N 3.31Å; M229-Q231 PolarHBondContact O-N 3.15Å |
| 232 | Q | 49.6 | Very low | 50.9 | Low | 122 Ų | 122 | 122.3 Ų | 122.3 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.5 | -27.5 | 176.4 | -160.6 | 168.1 | 22.8 | 0 | 0 | 113 | Y228 M229 | Y228-Q232 PolarHBondContact O-N 2.7Å; Y228-Q232 VanDerWaalsContact O-N 3.11Å; M229-Q232 PolarHBondContact O-N 2.73Å |
| 233 | Y | 47.9 | Very low | 49.4 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -98.3 | -13.6 | 178.7 | -75.5 | -91.2 | 0 | 0 | 0 | 114.4 | M229 A235 | M229-Y233 WeakPolarHBondContact O-CB 3.35Å; M229-Y233 VanDerWaalsContact O-CD2 3.27Å; M229-Y233 WeakPolarHBondContact O-CD2 3.4Å; M229-Y233 PolarHBondContact O-N 3.38Å; Y233-A235 VanDerWaalsContact C-N 3.3Å; Y233-A235 PolarHBondContact O-N 3.08Å |
| 234 | G | 44.3 | Very low | 47.8 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -16.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q230 | Q230-G234 WeakPolarHBondContact O-CA 3.37Å; Q230-G234 PolarHBondContact O-N 3.02Å |
| 235 | A | 46.8 | Very low | 46.6 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y233 | Y233-A235 VanDerWaalsContact C-N 3.3Å; Y233-A235 PolarHBondContact O-N 3.08Å |
| 236 | R | 43.8 | Very low | 45.6 | Very low | 238 Ų | 238 | 136.9 Ų | 136.9 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -129 | 17.7 | -169.8 | -125.2 | -178.8 | -166.9 | 162.2 | 4.2 | 117.5 | ||
| 237 | G | 47 | Very low | 44.6 | Very low | 55 Ų | 55 | 132.8 Ų | 132.8 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -169 | 59.1 | -180 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 238 | Y | 44.6 | Very low | 43.5 | Very low | 241 Ų | 241 | 138.6 Ų | 138.6 | 95% | 0.945 | 75% | 0.753 | S | S | * | * | trans | -153.6 | 48 | 150.2 | -107.4 | -79.8 | 0 | 0 | 0 | 110.4 | G240 | Y238-G240 PolarHBondContact O-N 2.96Š| ||
| 239 | G | 37.3 | Very low | 42.5 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -77.5 | 94.8 | 162 | 0 | 0 | 0 | 0 | 0 | 108.3 | R241 | G239-R241 PolarHBondContact O-N 3.47Š| ||
| 240 | G | 40.2 | Very low | 42 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -49.7 | 129.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y238 G242 | Y238-G240 PolarHBondContact O-N 2.96Å; G240-G242 PolarHBondContact O-N 2.89Å | ||
| 241 | R | 39 | Very low | 40.8 | Very low | 262 Ų | 262 | 138.8 Ų | 138.8 | 99% | 0.989 | 78% | 0.783 | S | S | * | * | trans | -68.2 | 71.8 | 156.6 | -83.5 | -176 | -173.7 | 171.8 | 2.6 | 108.2 | G239 | G239-R241 PolarHBondContact O-N 3.47Š| ||
| 242 | G | 36.5 | Very low | 39.4 | Very low | 67 Ų | 67 | 143.8 Ų | 143.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -76 | 129 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G240 | G240-G242 PolarHBondContact O-N 2.89Š| ||
| 243 | R | 42.1 | Very low | 38.6 | Very low | 259 Ų | 259 | 143.9 Ų | 143.9 | 98% | 0.977 | 80% | 0.8 | S | S | * | * | trans | -47.4 | 140.7 | 172.2 | -66.5 | 172.9 | 172.3 | -178.1 | -3.1 | 112.7 | ||||
| 244 | G | 34.8 | Very low | 38 | Very low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -174.4 | 86.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 245 | R | 36.6 | Very low | 37.4 | Very low | 252 Ų | 252 | 144.4 Ų | 144.4 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | 47.5 | 109.8 | 91.2 | -142.6 | -175.8 | -157.1 | -151.8 | 5.7 | 111 | |||||
| 246 | G | 35.1 | Very low | 36.6 | Very low | 86 Ų | 86 | 151.9 Ų | 151.9 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -50.5 | 141.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 247 | G | 34.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -146.1 | 110.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 248 | Q | 34.3 | Very low | 35.4 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -51 | 131.1 | -173.7 | -163.9 | 160.4 | 4.7 | 0 | 0 | 113.2 | ||||
| 249 | G | 35.1 | Very low | 34.7 | Very low | 74 Ų | 74 | 149.5 Ų | 149.5 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | -64.2 | 133.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 250 | Q | 39.4 | Very low | 34.2 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -134.7 | 115.4 | 157.7 | -68.4 | -171.5 | 13.2 | 0 | 0 | 108.9 | ||||
| 251 | N | 31.7 | Very low | 33.8 | Very low | 139 Ų | 139 | 158.8 Ų | 158.8 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | -60.3 | 126.3 | 170.8 | 177.1 | 4.4 | 0 | 0 | 0 | 110.4 | ||||
| 252 | W | 27.3 | Very low | 33.3 | Very low | 241 Ų | 241 | 153.5 Ų | 153.5 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -148.6 | 131.1 | 141.5 | -93.7 | 99.4 | 0 | 0 | 0 | 111.2 | ||||
| 253 | N | 31.8 | Very low | 33 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | -84.1 | 125.8 | -176.9 | 176.5 | -3.5 | 0 | 0 | 0 | 111 | ||||
| 254 | Q | 36.1 | Very low | 32.4 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -179.7 | 126.6 | 154.1 | -100.4 | 146.3 | 68.9 | 0 | 0 | 106.2 | ||||
| 255 | G | 30.9 | Very low | 32.1 | Very low | 62 Ų | 62 | 155.5 Ų | 155.5 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | cis | 155.2 | 116.4 | 11.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 256 | Y | 30.6 | Very low | 31.9 | Very low | 246 Ų | 246 | 151.4 Ų | 151.4 | 97% | 0.965 | 79% | 0.794 | S | S | * | * | trans | 76 | 117.3 | 159.9 | -84 | -95.4 | 0 | 0 | 0 | 121.6 | ||||
| 257 | N | 33.1 | Very low | 31.6 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -109.5 | 161 | -173.6 | -137.9 | -41.7 | 0 | 0 | 0 | 110.1 | ||||
| 258 | N | 33.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 156.9 Ų | 156.9 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -38.1 | 141.5 | 172.7 | -75.2 | -33.6 | 0 | 0 | 0 | 116.3 | ||||
| 259 | Y | 29.5 | Very low | 31.1 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -97.5 | 135 | 172.9 | -140.4 | -51.3 | 0 | 0 | 0 | 110.6 | ||||
| 260 | W | 27.9 | Very low | 30.8 | Very low | 177 Ų | 177 | 158.9 Ų | 158.9 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 98.2 | 85.2 | 155.8 | -61.3 | 108.9 | 0 | 0 | 0 | 118.1 | ||||
| 261 | N | 30.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -133.4 | 125.3 | 130.4 | -159.7 | -90.1 | 0 | 0 | 0 | 109.7 | ||||
| 262 | Q | 29.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 154.8 Ų | 154.8 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -102 | 129.3 | -170.9 | -177.9 | 172.4 | 23.2 | 0 | 0 | 108.6 | ||||
| 263 | G | 28.4 | Very low | 30.4 | Very low | 69 Ų | 69 | 150.3 Ų | 150.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -171.3 | 82.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 264 | Y | 30.1 | Very low | 30.2 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 19.1 | 115.4 | 146.4 | -85 | -99.7 | 0 | 0 | 0 | 120 | ||||
| 265 | N | 29.5 | Very low | 29.9 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -146.6 | 104 | 148.3 | -160.1 | -51.1 | 0 | 0 | 0 | 110.2 | ||||
| 266 | Q | 31.5 | Very low | 29.8 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | -91.2 | 137.1 | 154.4 | -74.9 | 171.8 | 12.2 | 0 | 0 | 105.1 | ||||
| 267 | G | 29.3 | Very low | 29.7 | Very low | 54 Ų | 54 | 150 Ų | 150 | 56% | 0.557 | 78% | 0.775 | S | S | * | * | cis | 144.2 | 166.6 | 26.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 268 | Y | 30.2 | Very low | 29.5 | Very low | 224 Ų | 224 | 146.2 Ų | 146.2 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | 91.3 | 96.2 | 173.2 | -54.8 | -77.2 | 0 | 0 | 0 | 117.9 | ||||
| 269 | G | 27.7 | Very low | 29.3 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -102 | 136 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 270 | Y | 29.8 | Very low | 29.3 | Very low | 224 Ų | 224 | 142.7 Ų | 142.7 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -126.7 | 123.7 | 153.9 | -91.7 | -99.3 | 0 | 0 | 0 | 102.8 | ||||
| 271 | G | 29.7 | Very low | 29.3 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | cis | 89.5 | 93.7 | 49.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 272 | Q | 29.8 | Very low | 29 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 159.6 | 141.3 | 138 | -93.2 | -160.2 | 112 | 0 | 0 | 115.9 | ||||
| 273 | Q | 30.1 | Very low | 28.9 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | 51.6 | 134.9 | 159.6 | -76.2 | 85.4 | 65 | 0 | 0 | 119.7 | ||||
| 274 | G | 27.8 | Very low | 28.8 | Very low | 61 Ų | 61 | 142.1 Ų | 142.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 118.2 | 124.5 | 21.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 275 | Y | 29.9 | Very low | 28.6 | Very low | 242 Ų | 242 | 142 Ų | 142 | 95% | 0.949 | 77% | 0.769 | S | S | * | * | trans | 91.1 | 123.7 | 164.8 | -58.1 | -80.7 | 0 | 0 | 0 | 120.5 | ||||
| 276 | G | 28.5 | Very low | 28.5 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 159.3 | 90.2 | 157 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 277 | Y | 28.6 | Very low | 28.4 | Very low | 232 Ų | 232 | 135.4 Ų | 135.4 | 91% | 0.91 | 76% | 0.76 | S | S | * | * | trans | -42.9 | 144.5 | 165 | -87.4 | -118.1 | 0 | 0 | 0 | 112.5 | ||||
| 278 | G | 28.6 | Very low | 28.3 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | 118.3 | 135 | 53.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 279 | G | 28.5 | Very low | 28.2 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | 158 | 75.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 280 | Y | 28.9 | Very low | 28.2 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -17.5 | 135.7 | 149 | -11.9 | -84.2 | 0 | 0 | 0 | 116.9 | ||||
| 281 | G | 27.8 | Very low | 28.2 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | 80.5 | 149.7 | 105 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 282 | N | 26 | Very low | 28.1 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | cis | -170.2 | 175.5 | 6.3 | -176.2 | -80.1 | 0 | 0 | 0 | 104.9 | ||||
| 283 | Y | 27.1 | Very low | 28.1 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -34.2 | 154.5 | 176.6 | -71.4 | -116.2 | 0 | 0 | 0 | 117.5 | ||||
| 284 | D | 25.8 | Very low | 28.1 | Very low | 130 Ų | 130 | 134 Ų | 134 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | 176.6 | 153.9 | 88.4 | -130.4 | -25.2 | 0 | 0 | 0 | 116.2 | |||||
| 285 | Y | 25.4 | Very low | 28.1 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | 54.1 | 150.7 | 145.7 | -104.2 | -129.8 | 0 | 0 | 0 | 121.7 | ||||
| 286 | S | 27.7 | Very low | 28.1 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | cis | 171.7 | 165.9 | -12.4 | 172.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 287 | A | 30 | Very low | 28.2 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | 75.4 | 137.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 288 | G | 27.2 | Very low | 28.3 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | 154.5 | 148.1 | 8.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 289 | Y | 26.8 | Very low | 28.4 | Very low | 202 Ų | 202 | 136.3 Ų | 136.3 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | 71.5 | 119.9 | 148.8 | -88.1 | -115.9 | 0 | 0 | 0 | 122.4 | ||||
| 290 | Y | 29 | Very low | 28.7 | Very low | 200 Ų | 200 | 143 Ų | 143 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 54.2 | 129 | 136 | -71.9 | -110.7 | 0 | 0 | 0 | 121.9 | ||||
| 291 | G | 28.3 | Very low | 28.8 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | 115.2 | 113.6 | 121.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 292 | Y | 28.5 | Very low | 28.9 | Very low | 242 Ų | 242 | 140.2 Ų | 140.2 | 95% | 0.949 | 76% | 0.759 | S | S | * | * | trans | 40.2 | 120 | 136.5 | -88.3 | -98.2 | 0 | 0 | 0 | 121.6 | ||||
| 293 | G | 29.7 | Very low | 29.3 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | 90.2 | 117.3 | 113.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 294 | G | 29.6 | Very low | 29.5 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | 84.3 | 115.4 | 126.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 295 | G | 28 | Very low | 29.8 | Very low | 49 Ų | 49 | 138.5 Ų | 138.5 | 51% | 0.505 | 76% | 0.759 | S | S | . | * | 108.5 | 119.6 | 128.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 296 | Y | 29.3 | Very low | 30.3 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | 37.4 | 141.5 | 130.1 | 27.2 | -101.5 | 0 | 0 | 0 | 119.9 | ||||
| 297 | D | 31.5 | Very low | 30.6 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -178.1 | -179.5 | 7.9 | -159.4 | -60.5 | 0 | 0 | 0 | 107.4 | ||||
| 298 | Y | 29.7 | Very low | 31.1 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 83.5 | 145.7 | 162.3 | -91.1 | -105.1 | 0 | 0 | 0 | 120.2 | ||||
| 299 | N | 32.4 | Very low | 32 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | 164.8 | 132.1 | -34.8 | 177.9 | -2.9 | 0 | 0 | 0 | 105.9 | ||||
| 300 | Q | 34.2 | Very low | 32.8 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | trans | -167.4 | 128.1 | 152.6 | -109.7 | 176.2 | 42.8 | 0 | 0 | 105.8 | ||||
| 301 | G | 31.6 | Very low | 33 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | cis | 149.2 | 125.3 | 2.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 302 | N | 30.3 | Very low | 33.3 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -173.9 | 132.9 | 133.4 | -130.7 | -14.5 | 0 | 0 | 0 | 116 | ||||
| 303 | T | 34.1 | Very low | 33.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | 65.2 | 96.6 | 146.3 | -23.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 304 | S | 31.3 | Very low | 34.1 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 33.5 | 115.7 | 120.2 | -169.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 305 | Y | 32.4 | Very low | 34.5 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | -167.5 | 118.7 | 106.3 | -115 | -86.7 | 0 | 0 | 0 | 111.4 | |||||
| 306 | G | 33.9 | Very low | 35 | Very low | 69 Ų | 69 | 150.7 Ų | 150.7 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 76.1 | 101.1 | 134.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 307 | K | 35.1 | Very low | 35.2 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | 78.4 | 88.5 | 140.7 | -63.7 | -171.4 | 177.8 | -178.2 | 0 | 120.9 | ||||
| 308 | T | 39.5 | Very low | 35.5 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | -5.8 | 167.1 | 125.8 | 49.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 309 | P | 47.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -138.5 | 164.3 | -21.9 | 31.1 | -10.2 | 0 | 0 | 0 | 115.9 | ||||
| 310 | R | 42.4 | Very low | 37.6 | Very low | 246 Ų | 246 | 147.5 Ų | 147.5 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -32.5 | 143.3 | 156.3 | -73 | 174.9 | 163.3 | 170.4 | -5 | 114.9 | ||||
| 311 | R | 34.3 | Very low | 38.3 | Very low | 247 Ų | 247 | 152.3 Ų | 152.3 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -126.4 | 105.2 | 139.7 | -166.9 | 171.6 | -173.9 | 172.7 | 1.7 | 109.2 | ||||
| 312 | G | 35 | Very low | 38.6 | Very low | 67 Ų | 67 | 156.7 Ų | 156.7 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | -69.5 | 153 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 313 | G | 35.2 | Very low | 39.1 | Very low | 80 Ų | 80 | 156.5 Ų | 156.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -160 | 83.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 314 | H | 39.4 | Very low | 39.4 | Very low | 184 Ų | 184 | 159.1 Ų | 159.1 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -70.9 | 136.9 | 159.4 | -68.1 | -88.9 | 0 | 0 | 0 | 108.2 | ||||
| 315 | Q | 37.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 163 Ų | 163 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | 160.3 | 135.3 | 117.7 | -88.5 | 180 | -51.2 | 0 | 0 | 112.4 | |||||
| 316 | S | 38.5 | Very low | 40.3 | Very low | 109 Ų | 109 | 158.8 Ų | 158.8 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | 48.5 | 120.6 | 139.4 | -57.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 317 | S | 34.7 | Very low | 40.7 | Very low | 118 Ų | 118 | 164.8 Ų | 164.8 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | 153 | 132.6 | 93.2 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 318 | Y | 37.5 | Very low | 41.1 | Very low | 209 Ų | 209 | 162.1 Ų | 162.1 | 82% | 0.82 | 83% | 0.831 | S | S | * | * | trans | -64.5 | 141 | 166 | -150.1 | -101.5 | 0 | 0 | 0 | 110.3 | ||||
| 319 | K | 44.1 | Very low | 41.3 | Very low | 191 Ų | 191 | 164.5 Ų | 164.5 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | 174.3 | 160.9 | 122.6 | -96.7 | -169.8 | 176.5 | -178.9 | 0 | 113.1 | |||||
| 320 | P | 62 | Low | 40.8 | Very low | 92 Ų | 92 | 168.6 Ų | 168.6 | 60% | 0.597 | 84% | 0.84 | S | S | * | * | trans | -103.4 | 173 | -147.6 | 42 | -36.7 | 0 | 0 | 0 | 113.2 | ||||
| 321 | Y | 48.7 | Very low | 40.6 | Very low | 303 Ų | 303 | 161.5 Ų | 161.5 | 100% | 1.188 | 83% | 0.832 | S | S | * | * | -162.5 | 0 | 116.9 | -105.5 | -78.2 | 0 | 0 | 0 | 108.7 |
Retrieved 321 of 321 residues in 302.1 ms
(Link to these results)