| 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 | 41.9 | Very low | 40 | Very low | 252 Ų | 252 | 144.5 Ų | 144.5 | 100% | 1.241 | 82% | 0.823 | S | S | * | * | 0 | 107.8 | 0 | -72.1 | -170.5 | 174 | 0 | 0 | 107.5 | |||||
| 2 | A | 39.1 | Very low | 39.5 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -147.2 | 134.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | S | 40.8 | Very low | 38.8 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -77.9 | 165.9 | -163.3 | -179.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 4 | D | 38.6 | Very low | 38.3 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | 123.2 | 125.1 | 151.4 | -71.2 | -4.4 | 0 | 0 | 0 | 112.3 | ||||
| 5 | G | 37.5 | Very low | 37.8 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | 159.4 | 120.5 | 9.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 6 | M | 41.6 | Very low | 38.5 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -76.3 | 143.4 | -168.8 | -91.5 | 151.9 | 66.7 | 0 | 0 | 114.3 | ||||
| 7 | D | 38.7 | Very low | 38 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 69% | 0.69 | 82% | 0.822 | S | S | * | * | trans | 68.2 | 131.6 | 132.6 | -55.3 | -36 | 0 | 0 | 0 | 124.2 | ||||
| 8 | E | 33.4 | Very low | 37.6 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | 98 | 129.5 | 131.3 | -127.8 | -175.3 | 94.9 | 0 | 0 | 121.9 | ||||
| 9 | R | 34.3 | Very low | 37.3 | Very low | 214 Ų | 214 | 142.8 Ų | 142.8 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | 111 | 111.4 | 128.5 | -143.6 | 167 | -174.2 | 125.1 | -7.9 | 118.5 | |||||
| 10 | S | 39.6 | Very low | 37 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -100.8 | 179.1 | 145.2 | -48.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 11 | P | 54.2 | Low | 36.9 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | cis | -131.8 | -176.6 | -26.1 | 26.5 | -3.2 | 0 | 0 | 0 | 113.2 | ||||
| 12 | L | 34.4 | Very low | 36.5 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | 135.8 | 146.7 | 138.5 | -68.9 | -177.6 | 0 | 0 | 0 | 118.3 | ||||
| 13 | L | 30.7 | Very low | 36.9 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 87.8 | 133.3 | 164 | -55.6 | 173.1 | 0 | 0 | 0 | 117 | ||||
| 14 | S | 30.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | -158.7 | 156.5 | 37 | -54.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 15 | A | 31.4 | Very low | 36.1 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -98.8 | -158.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 16 | P | 48.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | -117.2 | 176.8 | -64.8 | 33.9 | -17.9 | 0 | 0 | 0 | 111.8 | |||||
| 17 | N | 30.3 | Very low | 36.9 | Very low | 176 Ų | 176 | 134 Ų | 134 | 94% | 0.941 | 78% | 0.784 | S | S | * | * | trans | -143.8 | 133.7 | 156.7 | -105.5 | -8.8 | 0 | 0 | 0 | 111.9 | ||||
| 18 | S | 32.2 | Very low | 36.5 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -104.9 | 139.6 | -174.9 | 152.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 19 | E | 31.4 | Very low | 36.5 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | trans | -157.7 | 142.3 | 144.4 | -112.5 | 172.9 | 146.4 | 0 | 0 | 111.4 | ||||
| 20 | N | 31.4 | Very low | 36.5 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -127.1 | 125.6 | -158.4 | 179.2 | 57.2 | 0 | 0 | 0 | 107.9 | ||||
| 21 | V | 34.4 | Very low | 36 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -148.6 | 114.8 | 161.9 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | T | 34.3 | Very low | 34.9 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -103.6 | 171.4 | 154.3 | -31.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 23 | P | 47.4 | Very low | 34.9 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -138.4 | -175.4 | 8.3 | 41 | -21.1 | 0 | 0 | 0 | 114.2 | ||||
| 24 | T | 30 | Very low | 35.5 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | 158 | 133.2 | 129.7 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 25 | A | 32.7 | Very low | 35.7 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -122.1 | -177.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 26 | P | 53.5 | Low | 35.9 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -114.5 | -175.1 | -63.3 | 40.6 | -26.1 | 0 | 0 | 0 | 110.6 | |||||
| 27 | P | 41.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -153.9 | 172.8 | 82.8 | 36.9 | -13.8 | 0 | 0 | 0 | 117 | |||||
| 28 | Y | 30.8 | Very low | 35.9 | Very low | 213 Ų | 213 | 142.4 Ų | 142.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -35.1 | 141.4 | 176.8 | -85.9 | -106.5 | 0 | 0 | 0 | 119.6 | ||||
| 29 | L | 33.3 | Very low | 36.4 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -149.5 | 131.2 | 134.6 | -96.6 | -179.8 | 0 | 0 | 0 | 110.6 | ||||
| 30 | Q | 33.4 | Very low | 36.9 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -80.6 | 141.7 | 171.8 | -81.6 | 166.7 | -59.5 | 0 | 0 | 110.7 | ||||
| 31 | D | 28.8 | Very low | 37.3 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -154.5 | 128.3 | 144.5 | -154 | 54.4 | 0 | 0 | 0 | 112.9 | ||||
| 32 | S | 32.5 | Very low | 37.6 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 44.2 | 115.7 | 148.2 | -42.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 33 | S | 34.2 | Very low | 38.3 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -61.3 | 179.1 | 159.5 | -164.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 34 | P | 43.1 | Very low | 38.1 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | cis | -129.2 | 156.1 | -17.9 | 21.9 | -0.2 | 0 | 0 | 0 | 113.6 | ||||
| 35 | R | 34.2 | Very low | 38.7 | Very low | 242 Ų | 242 | 140.4 Ų | 140.4 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -172.8 | 96.8 | 138.1 | -108.9 | 170 | -178.1 | 166.7 | 1.9 | 111.2 | E37 | R35-E37 PolarHBondContact O-N 3.41Š| ||
| 36 | A | 35.7 | Very low | 38.9 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -72 | 110.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | L38 | A36-L38 PolarHBondContact O-N 3.34Š| ||
| 37 | E | 33.9 | Very low | 38 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 110 | 164.8 | -84.3 | -175.3 | 131.6 | 0 | 0 | 108.6 | R35 | R35-E37 PolarHBondContact O-N 3.41Š| ||
| 38 | L | 46.1 | Very low | 38.6 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.4 | 165.4 | -78.7 | 101.9 | 0 | 0 | 0 | 110.3 | A36 | A36-L38 PolarHBondContact O-N 3.34Š|
| 39 | P | 42.8 | Very low | 39.2 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 154.1 | 168.8 | 27.1 | -33.4 | 0 | 0 | 0 | 111.8 | ||
| 40 | P | 41.6 | Very low | 39.4 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 144.2 | -169 | 22.5 | -33.3 | 0 | 0 | 0 | 113.1 | Y42 | P40-Y42 PolarHBondContact O-N 3.34Š|
| 41 | P | 39 | Very low | 40.2 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 124.4 | -171.3 | 27.3 | -32.8 | 0 | 0 | 0 | 111.7 | T43 | P41-T43 PolarHBondContact O-N 3.18Å; P41-T43 VanDerWaalsContact O-N 3.13Å |
| 42 | Y | 41.1 | Very low | 41.2 | Very low | 217 Ų | 217 | 125 Ų | 125 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -69.1 | 93.6 | 160.6 | -167.9 | -96.5 | 0 | 0 | 0 | 108.2 | P40 A44 | P40-Y42 PolarHBondContact O-N 3.34Å; Y42-A44 HydrophobicContact CD1-CB 3.89Å; Y42-A44 HydrophobicContact CE1-CB 3.67Å; Y42-A44 PolarHBondContact O-N 3.13Å | ||
| 43 | T | 47.8 | Very low | 42.5 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -82.6 | 91 | 170.3 | 41.5 | 0 | 0 | 0 | 0 | 109.8 | P41 | P41-T43 PolarHBondContact O-N 3.18Å; P41-T43 VanDerWaalsContact O-N 3.13Å | ||
| 44 | A | 43.2 | Very low | 44.2 | Very low | 58 Ų | 58 | 120.3 Ų | 120.3 | 48% | 0.479 | 73% | 0.734 | S | S | . | * | trans | -92.6 | 135.3 | 159 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y42 | Y42-A44 HydrophobicContact CD1-CB 3.89Å; Y42-A44 HydrophobicContact CE1-CB 3.67Å; Y42-A44 PolarHBondContact O-N 3.13Å | ||
| 45 | I | 43.4 | Very low | 45.8 | Very low | 158 Ų | 158 | 119.4 Ų | 119.4 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | 73.9 | 107.9 | 160.5 | -45.8 | 169.4 | 0 | 0 | 0 | 115.7 | ||||
| 46 | A | 36.9 | Very low | 48 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 84% | 0.843 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 47 | S | 34.9 | Very low | 50.2 | Low | 103 Ų | 103 | 109.1 Ų | 109.1 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 156.3 | 159.3 | -76.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 48 | P | 53.1 | Low | 52.4 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -69.7 | 167.9 | 172 | 35 | -34.9 | 0 | 0 | 0 | 109.5 | ||
| 49 | D | 44.5 | Very low | 53.9 | Low | 162 Ų | 162 | 102.4 Ų | 102.4 | 87% | 0.866 | 64% | 0.638 | S | S | * | * | trans | 91.6 | 58.2 | 177 | -47.8 | -32.8 | 0 | 0 | 0 | 116.7 | ||||
| 50 | A | 37.8 | Very low | 55.7 | Low | 96 Ų | 96 | 100 Ų | 100 | 79% | 0.793 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -164.1 | 145.2 | 134 | 0 | 0 | 0 | 0 | 0 | 107.4 | G52 | A50-G52 PolarHBondContact O-N 3.38Š|
| 51 | G | 48.8 | Very low | 57.5 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 93% | 0.928 | 60% | 0.6 | S | S | * | * | trans | -66.2 | 48.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V53 | G51-V53 PolarHBondContact O-N 2.69Š| ||
| 52 | G | 51.2 | Low | 59.6 | Low | 60 Ų | 60 | 98.8 Ų | 98.8 | 62% | 0.619 | 60% | 0.601 | S | S | * | * | trans | -74.3 | 113.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | A50 P54 | A50-G52 PolarHBondContact O-N 3.38Å; G52-P54 WeakPolarHBondContact O-CD 3.27Å | ||
| 53 | V | 60 | Low | 61.5 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 35% | 0.352 | 57% | 0.569 | S | S | . | * | trans | -51.9 | 123.3 | 171.1 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | G51 V55 N66 D68 | G51-V53 PolarHBondContact O-N 2.69Å; V53-V55 PolarHBondContact O-N 3.27Å; V53-N66 HydrophobicContact CG1-CB 4.26Å; V53-D68 HydrophobicContact CG1-CB 3.87Å | ||
| 54 | P | 69.3 | Low | 63 | Low | 53 Ų | 53 | 89.3 Ų | 89.3 | 34% | 0.344 | 56% | 0.561 | S | S | . | * | trans | -63.6 | 129.2 | -179.4 | 16.3 | -20.8 | 0 | 0 | 0 | 109.2 | G52 L67 L71 | G52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-L67 HydrophobicContact CB-CB 4.31Å; P54-L67 HydrophobicContact CB-CD1 4.09Å; P54-L67 HydrophobicContact CG-CB 4.08Å; P54-L67 WeakPolarHBondContact O-CA 3.27Å; P54-L67 WeakPolarHBondContact O-CB 3.46Å; P54-L67 VanDerWaalsContact O-CG 3.27Å; P54-L67 WeakPolarHBondContact O-CG 3.46Å; P54-L67 PolarHBondContact O-N 2.99Å; P54-L71 HydrophobicContact CB-CD2 4.2Å; P54-L71 HydrophobicContact CG-CD1 3.67Å; P54-L71 HydrophobicContact CG-CD2 3.54Å; P54-L71 HydrophobicContact CG-CG 3.83Å | ||
| 55 | V | 75.8 | Confident | 64.9 | Low | 89 Ų | 89 | 87.2 Ų | 87.2 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.2 | -179.2 | -68.1 | 0 | 0 | 0 | 0 | 110.4 | V53 I64 I65 N66 | V53-V55 PolarHBondContact O-N 3.27Å; V55-I64 HydrophobicContact CB-CG2 3.87Å; V55-I64 HydrophobicContact CG1-CG2 4.03Å; V55-I65 WeakPolarHBondContact CA-O 3.08Å; V55-N66 VanDerWaalsContact CG1-OD1 3.27Å; V55-N66 WeakPolarHBondContact CG1-OD1 3.5Å |
| 56 | I | 81.8 | Confident | 66.7 | Low | 40 Ų | 40 | 84.8 Ų | 84.8 | 21% | 0.205 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.7 | 175.2 | -169.7 | 168.8 | 0 | 0 | 0 | 110.2 | I65 L67 V76 T85 P86 I87 | I56-I65 HydrophobicContact CG2-CB 3.96Å; I56-I65 HydrophobicContact CG2-CD1 4.47Å; I56-I65 HydrophobicContact CG2-CG2 4.49Å; I56-I65 PolarHBondContact N-O 2.88Å; I56-I65 WeakPolarHBondContact O-CB 3.08Å; I56-I65 PolarHBondContact O-N 2.82Å; I56-L67 HydrophobicContact CB-CD1 4.17Å; I56-L67 HydrophobicContact CG2-CD1 4.07Å; I56-L67 HydrophobicContact CG2-CD2 3.67Å; I56-L67 HydrophobicContact CG2-CG 4Å; I56-V76 HydrophobicContact CG2-CG2 4.5Å; I56-T85 HydrophobicContact CD1-CG2 3.94Å; I56-T85 HydrophobicContact CG1-CG2 4.44Å; I56-P86 WeakPolarHBondContact CD1-O 3.39Å; I56-I87 HydrophobicContact CD1-CG1 4.41Å |
| 57 | S | 81.9 | Confident | 68.5 | Low | 78 Ų | 78 | 80.3 Ų | 80.3 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.5 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 111 | R59 | S57-R59 PolarHBondContact O-N 3.49Å |
| 58 | C | 79 | Confident | 70.2 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.007 | 49% | 0.486 | C | S | . | . | trans | -64.2 | 129.9 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | V60 C61 Q62 S63 I65 C78 C81 | C58-V60 PolarHBondContact O-N 3.2Å; C58-V60 VanDerWaalsContact O-N 3.17Å; C58-V60 PolarHBondContact SG-N 3.39Å; C58-C61 VanDerWaalsContact SG-SG 3.67Å; C58-Q62 WeakPolarHBondContact O-CA 3.44Å; C58-Q62 PolarHBondContact O-N 3.43Å; C58-S63 PolarHBondContact N-O 3.17Å; C58-I65 HydrophobicContact CB-CD1 4Å; C58-C78 HydrophobicContact CB-CB 4.22Å; C58-C81 PolarHBondContact SG-SG 3.45Å | ||
| 59 | R | 78.6 | Confident | 70.7 | Confident | 201 Ų | 201 | 79.2 Ų | 79.2 | 76% | 0.758 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.2 | 178.1 | -166.8 | 172.1 | -178.8 | -179.7 | 2.4 | 114.3 | S57 | S57-R59 PolarHBondContact O-N 3.49Š|
| 60 | V | 79.6 | Confident | 71.8 | Confident | 58 Ų | 58 | 76.8 Ų | 76.8 | 35% | 0.352 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -53.6 | -177.1 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | C58 E83 R98 N102 | C58-V60 PolarHBondContact O-N 3.2Å; C58-V60 VanDerWaalsContact O-N 3.17Å; C58-V60 PolarHBondContact SG-N 3.39Å; V60-E83 HydrophobicContact CG2-CB 4.03Å; V60-E83 HydrophobicContact CG2-CG 3.92Å; V60-R98 VanDerWaalsContact CG2-NH2 3.31Å; V60-N102 HydrophobicContact CG2-CB 4.31Å |
| 61 | C | 79.6 | Confident | 73.1 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 33% | 0.331 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 3 | -174.4 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | C58 S63 C81 | C58-C61 VanDerWaalsContact SG-SG 3.67Å; C61-S63 PolarHBondContact O-N 3.19Å; C61-S63 PolarHBondContact SG-OG 2.87Å; C61-C81 HydrophobicContact CB-CB 4.21Å; C61-C81 PolarHBondContact SG-SG 2.84Å |
| 62 | Q | 82.6 | Confident | 73.8 | Confident | 160 Ų | 160 | 80 Ų | 80 | 75% | 0.748 | 45% | 0.447 | S | S | * | . | trans | 58.9 | 3 | 179.7 | -61.1 | 173.7 | 18.1 | 0 | 0 | 115.6 | C58 | C58-Q62 WeakPolarHBondContact O-CA 3.44Å; C58-Q62 PolarHBondContact O-N 3.43Å | ||
| 63 | S | 81.6 | Confident | 74.8 | Confident | 28 Ų | 28 | 82.3 Ų | 82.3 | 20% | 0.196 | 44% | 0.442 | C | S | . | . | trans | -62.2 | 142.8 | 175.4 | 65 | 0 | 0 | 0 | 0 | 111.8 | C58 C61 C78 | C58-S63 PolarHBondContact N-O 3.17Å; C61-S63 PolarHBondContact O-N 3.19Å; C61-S63 PolarHBondContact SG-OG 2.87Å; S63-C78 PolarHBondContact OG-SG 3.3Å | ||
| 64 | I | 80.1 | Confident | 75.5 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.6 | 177.9 | -55.4 | 169.7 | 0 | 0 | 0 | 109.5 | V55 | V55-I64 HydrophobicContact CB-CG2 3.87Å; V55-I64 HydrophobicContact CG1-CG2 4.03Å |
| 65 | I | 81.9 | Confident | 76 | Confident | 14 Ų | 14 | 81.9 Ų | 81.9 | 7% | 0.072 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.2 | 176.7 | -54.3 | 167.2 | 0 | 0 | 0 | 107.9 | V55 I56 C58 V76 C78 | V55-I65 WeakPolarHBondContact CA-O 3.08Å; I56-I65 HydrophobicContact CG2-CB 3.96Å; I56-I65 HydrophobicContact CG2-CD1 4.47Å; I56-I65 HydrophobicContact CG2-CG2 4.49Å; I56-I65 PolarHBondContact N-O 2.88Å; I56-I65 WeakPolarHBondContact O-CB 3.08Å; I56-I65 PolarHBondContact O-N 2.82Å; C58-I65 HydrophobicContact CB-CD1 4Å; I65-V76 HydrophobicContact CG2-CG2 4.39Å; I65-C78 HydrophobicContact CD1-CB 3.81Å |
| 66 | N | 80.8 | Confident | 76.4 | Confident | 106 Ų | 106 | 77.9 Ų | 77.9 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.4 | 172.2 | -61.5 | -54.6 | 0 | 0 | 0 | 109.8 | V53 V55 D68 | V53-N66 HydrophobicContact CG1-CB 4.26Å; V55-N66 VanDerWaalsContact CG1-OD1 3.27Å; V55-N66 WeakPolarHBondContact CG1-OD1 3.5Å; N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 2.9Å |
| 67 | L | 75.6 | Confident | 76.5 | Confident | 8 Ų | 8 | 83.5 Ų | 83.5 | 4% | 0.042 | 43% | 0.432 | C | S | . | . | trans | -91.5 | 17.1 | -177.7 | -60 | 174.9 | 0 | 0 | 0 | 113.6 | P54 I56 G69 K70 L71 V76 I87 | P54-L67 HydrophobicContact CB-CB 4.31Å; P54-L67 HydrophobicContact CB-CD1 4.09Å; P54-L67 HydrophobicContact CG-CB 4.08Å; P54-L67 WeakPolarHBondContact O-CA 3.27Å; P54-L67 WeakPolarHBondContact O-CB 3.46Å; P54-L67 VanDerWaalsContact O-CG 3.27Å; P54-L67 WeakPolarHBondContact O-CG 3.46Å; P54-L67 PolarHBondContact O-N 2.99Å; I56-L67 HydrophobicContact CB-CD1 4.17Å; I56-L67 HydrophobicContact CG2-CD1 4.07Å; I56-L67 HydrophobicContact CG2-CD2 3.67Å; I56-L67 HydrophobicContact CG2-CG 4Å; L67-G69 PolarHBondContact O-N 3.46Å; L67-K70 PolarHBondContact O-N 2.95Å; L67-L71 HydrophobicContact CB-CD2 4.37Å; L67-L71 HydrophobicContact CD1-CD2 4.46Å; L67-V76 HydrophobicContact CD2-CG1 4.29Å; L67-V76 HydrophobicContact CD2-CG2 4.03Å; L67-I87 HydrophobicContact CD1-CG2 3.82Å; L67-I87 HydrophobicContact CD2-CD1 3.46Å; L67-I87 VanDerWaalsContact CD2-CD1 3.46Å; L67-I87 HydrophobicContact CD2-CG1 3.88Å | ||
| 68 | D | 69.9 | Low | 76.6 | Confident | 114 Ų | 114 | 79.9 Ų | 79.9 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 122.4 | -179.5 | -151.7 | -54.8 | 0 | 0 | 0 | 111.2 | V53 N66 K70 | V53-D68 HydrophobicContact CG1-CB 3.87Å; N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 2.9Å; D68-K70 PolarHBondContact O-N 3.22Å |
| 69 | G | 64.9 | Low | 76.8 | Confident | 74 Ų | 74 | 85.1 Ų | 85.1 | 76% | 0.763 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | L67 | L67-G69 PolarHBondContact O-N 3.46Š|
| 70 | K | 67.9 | Low | 77.1 | Confident | 112 Ų | 112 | 80.2 Ų | 80.2 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 4.5 | -173.8 | -68.9 | 177.9 | -176.6 | 168.2 | 0 | 114.5 | L67 D68 H72 Q73 V76 | L67-K70 PolarHBondContact O-N 2.95Å; D68-K70 PolarHBondContact O-N 3.22Å; K70-H72 PolarHBondContact O-N 2.99Å; K70-H72 VanDerWaalsContact O-N 3.14Å; K70-Q73 WeakPolarHBondContact O-CB 3.47Å; K70-Q73 PolarHBondContact O-N 2.73Å; K70-V76 HydrophobicContact CB-CG1 3.98Å; K70-V76 HydrophobicContact CD-CG1 4.03Å |
| 71 | L | 64 | Low | 77.1 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 45% | 0.445 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25 | 176.2 | -75.6 | 170.9 | 0 | 0 | 0 | 114.1 | P54 L67 Q73 K88 | P54-L71 HydrophobicContact CB-CD2 4.2Å; P54-L71 HydrophobicContact CG-CD1 3.67Å; P54-L71 HydrophobicContact CG-CD2 3.54Å; P54-L71 HydrophobicContact CG-CG 3.83Å; L67-L71 HydrophobicContact CB-CD2 4.37Å; L67-L71 HydrophobicContact CD1-CD2 4.46Å; L71-Q73 VanDerWaalsContact C-N 3.26Å; L71-Q73 PolarHBondContact O-N 3.04Å; L71-K88 WeakPolarHBondContact O-CE 3.08Å; L71-K88 PolarHBondContact O-NZ 2.96Å |
| 72 | H | 62.7 | Low | 77.2 | Confident | 168 Ų | 168 | 83 Ų | 83 | 78% | 0.778 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.5 | 176.6 | -156.6 | -79.6 | 0 | 0 | 0 | 112.7 | K70 | K70-H72 PolarHBondContact O-N 2.99Å; K70-H72 VanDerWaalsContact O-N 3.14Å |
| 73 | Q | 73.4 | Confident | 77.3 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | trans | -87.4 | 141.7 | -179.8 | -156.2 | 172.3 | 19.9 | 0 | 0 | 111.1 | K70 L71 V75 | K70-Q73 WeakPolarHBondContact O-CB 3.47Å; K70-Q73 PolarHBondContact O-N 2.73Å; L71-Q73 VanDerWaalsContact C-N 3.26Å; L71-Q73 PolarHBondContact O-N 3.04Å; Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 VanDerWaalsContact CG-O 3.26Å; Q73-V75 WeakPolarHBondContact CG-O 3.44Å; Q73-V75 PolarHBondContact OE1-O 3.18Å | ||
| 74 | H | 74.6 | Confident | 77.4 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 34% | 0.343 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -79 | -20.5 | 179.4 | -67.7 | 61.7 | 0 | 0 | 0 | 113 | I87 K88 N89 Y96 | H74-I87 PolarHBondContact O-N 2.99Å; H74-K88 HydrophobicContact CB-CB 4.41Å; H74-K88 PolarHBondContact O-N 3.33Å; H74-N89 PolarHBondContact CD2-O 3.14Å; H74-Y96 WeakPolarHBondContact CB-OH 3.48Å |
| 75 | V | 78.9 | Confident | 77.4 | Confident | 28 Ų | 28 | 70.3 Ų | 70.3 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 133.4 | -175.2 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | Q73 A84 Y96 L104 I106 | Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 VanDerWaalsContact CG-O 3.26Å; Q73-V75 WeakPolarHBondContact CG-O 3.44Å; Q73-V75 PolarHBondContact OE1-O 3.18Å; V75-A84 HydrophobicContact CG1-CB 3.68Å; V75-Y96 HydrophobicContact CG2-CE1 3.64Å; V75-L104 HydrophobicContact CG1-CD2 3.81Å; V75-L104 HydrophobicContact CG2-CD2 4.29Å; V75-I106 HydrophobicContact CG2-CD1 4.49Å |
| 76 | V | 84.8 | Confident | 77.3 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153.9 | 168.5 | -77.4 | 0 | 0 | 0 | 0 | 111.3 | I56 I65 L67 K70 A84 T85 I87 | I56-V76 HydrophobicContact CG2-CG2 4.5Å; I65-V76 HydrophobicContact CG2-CG2 4.39Å; L67-V76 HydrophobicContact CD2-CG1 4.29Å; L67-V76 HydrophobicContact CD2-CG2 4.03Å; K70-V76 HydrophobicContact CB-CG1 3.98Å; K70-V76 HydrophobicContact CD-CG1 4.03Å; V76-A84 CarbonylContact O-C 3.49Å; V76-A84 WeakPolarHBondContact O-CA 3.31Å; V76-T85 PolarHBondContact N-O 2.93Å; V76-T85 PolarHBondContact O-N 3.42Å; V76-I87 HydrophobicContact CB-CD1 3.7Å; V76-I87 HydrophobicContact CB-CG1 4.47Å; V76-I87 HydrophobicContact CG1-CD1 3.2Å; V76-I87 HydrophobicContact CG1-CG1 4.41Å; V76-I87 HydrophobicContact CG2-CD1 3.39Å; V76-I87 HydrophobicContact CG2-CG1 3.67Å |
| 77 | K | 84.8 | Confident | 77.2 | Confident | 158 Ų | 158 | 69 Ų | 69 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.7 | 170.8 | -62.7 | 179.7 | -176.9 | 176.1 | 0 | 109.1 | ||
| 78 | C | 83.2 | Confident | 77.1 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.007 | 39% | 0.393 | C | S | . | . | trans | -66.1 | 135.2 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 110 | C58 S63 I65 V80 C81 N82 E83 | C58-C78 HydrophobicContact CB-CB 4.22Å; S63-C78 PolarHBondContact OG-SG 3.3Å; I65-C78 HydrophobicContact CD1-CB 3.81Å; C78-V80 VanDerWaalsContact C-N 3.31Å; C78-V80 PolarHBondContact SG-N 3.46Å; C78-V80 VanDerWaalsContact SG-N 3.39Å; C78-C81 VanDerWaalsContact CB-SG 3.53Å; C78-N82 WeakPolarHBondContact O-CA 3.42Å; C78-N82 PolarHBondContact O-N 2.78Å; C78-E83 WeakPolarHBondContact CB-O 3Å; C78-E83 PolarHBondContact N-O 2.72Å | ||
| 79 | T | 84.2 | Confident | 77.3 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.1 | 176.7 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 80 | V | 83.8 | Confident | 77.8 | Confident | 98 Ų | 98 | 73 Ų | 73 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -53.6 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | C78 | C78-V80 VanDerWaalsContact C-N 3.31Å; C78-V80 PolarHBondContact SG-N 3.46Å; C78-V80 VanDerWaalsContact SG-N 3.39Å |
| 81 | C | 80.4 | Confident | 78.4 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 0.5 | -176.2 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | C58 C61 C78 E83 | C58-C81 PolarHBondContact SG-SG 3.45Å; C61-C81 HydrophobicContact CB-CB 4.21Å; C61-C81 PolarHBondContact SG-SG 2.84Å; C78-C81 VanDerWaalsContact CB-SG 3.53Å; C81-E83 PolarHBondContact O-N 3.39Å |
| 82 | N | 82 | Confident | 79 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 66% | 0.663 | 39% | 0.394 | S | S | * | . | trans | 57.2 | 9.3 | -177 | -68.7 | -47.8 | 0 | 0 | 0 | 115.7 | C78 | C78-N82 WeakPolarHBondContact O-CA 3.42Å; C78-N82 PolarHBondContact O-N 2.78Å | ||
| 83 | E | 84.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | trans | -87.7 | 142.9 | -179 | -158.8 | 59.4 | -122.3 | 0 | 0 | 111.5 | V60 C78 C81 R98 N102 C103 R118 | V60-E83 HydrophobicContact CG2-CB 4.03Å; V60-E83 HydrophobicContact CG2-CG 3.92Å; C78-E83 WeakPolarHBondContact CB-O 3Å; C78-E83 PolarHBondContact N-O 2.72Å; C81-E83 PolarHBondContact O-N 3.39Å; E83-R98 VanDerWaalsContact CG-NH2 3.33Å; E83-N102 HydrophobicContact CG-CB 4.19Å; E83-N102 WeakPolarHBondContact CG-O 3.39Å; E83-C103 VanDerWaalsContact OE1-CA 3.31Å; E83-C103 WeakPolarHBondContact OE1-CA 3.4Å; E83-R118 IonicContact OE2-NH2 3.07Å; E83-R118 PolarHBondContact OE2-NH2 2.91Å | ||
| 84 | A | 83.5 | Confident | 80.1 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V75 V76 R98 L104 | V75-A84 HydrophobicContact CG1-CB 3.68Å; V76-A84 CarbonylContact O-C 3.49Å; V76-A84 WeakPolarHBondContact O-CA 3.31Å; A84-R98 PolarHBondContact O-NH2 3.41Å; A84-L104 HydrophobicContact CB-CB 3.93Å; A84-L104 HydrophobicContact CB-CD2 3.99Å |
| 85 | T | 79.9 | Confident | 80.6 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.043 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.3 | 178.1 | -52.6 | 0 | 0 | 0 | 0 | 108.7 | I56 V76 | I56-T85 HydrophobicContact CD1-CG2 3.94Å; I56-T85 HydrophobicContact CG1-CG2 4.44Å; V76-T85 PolarHBondContact N-O 2.93Å; V76-T85 PolarHBondContact O-N 3.42Å |
| 86 | P | 79.8 | Confident | 80.9 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.8 | 176.6 | 30.8 | -32.6 | 0 | 0 | 0 | 110.1 | I56 Y96 L104 | I56-P86 WeakPolarHBondContact CD1-O 3.39Å; P86-Y96 HydrophobicContact CB-CD2 3.98Å; P86-Y96 HydrophobicContact CB-CE2 3.96Å; P86-Y96 HydrophobicContact CB-CG 4.39Å; P86-L104 HydrophobicContact CB-CD2 4.39Å; P86-L104 HydrophobicContact CG-CD2 4.48Å |
| 87 | I | 77.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 21% | 0.21 | 37% | 0.371 | C | S | . | . | trans | -109.1 | -33.3 | 176.1 | -57.9 | 157.3 | 0 | 0 | 0 | 110.9 | I56 L67 H74 V76 | I56-I87 HydrophobicContact CD1-CG1 4.41Å; L67-I87 HydrophobicContact CD1-CG2 3.82Å; L67-I87 HydrophobicContact CD2-CD1 3.46Å; L67-I87 VanDerWaalsContact CD2-CD1 3.46Å; L67-I87 HydrophobicContact CD2-CG1 3.88Å; H74-I87 PolarHBondContact O-N 2.99Å; V76-I87 HydrophobicContact CB-CD1 3.7Å; V76-I87 HydrophobicContact CB-CG1 4.47Å; V76-I87 HydrophobicContact CG1-CD1 3.2Å; V76-I87 HydrophobicContact CG1-CG1 4.41Å; V76-I87 HydrophobicContact CG2-CD1 3.39Å; V76-I87 HydrophobicContact CG2-CG1 3.67Å | ||
| 88 | K | 74.9 | Confident | 80.9 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -116.9 | 160 | 178.7 | -71 | 178.4 | 164.1 | 174.3 | 0 | 110.1 | L71 H74 Y96 | L71-K88 WeakPolarHBondContact O-CE 3.08Å; L71-K88 PolarHBondContact O-NZ 2.96Å; H74-K88 HydrophobicContact CB-CB 4.41Å; H74-K88 PolarHBondContact O-N 3.33Å; K88-Y96 WeakPolarHBondContact O-CE2 3.26Å |
| 89 | N | 73.2 | Confident | 80.9 | Confident | 145 Ų | 145 | 62.7 Ų | 62.7 | 78% | 0.775 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 147.5 | 168.5 | -70.2 | -8.7 | 0 | 0 | 0 | 109.8 | H74 | H74-N89 PolarHBondContact CD2-O 3.14Š|
| 90 | P | 76.2 | Confident | 80.8 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 147.9 | 178.7 | 27.1 | -33.9 | 0 | 0 | 0 | 109.6 | K94 Y96 | P90-K94 HydrophobicContact CB-CB 4.46Å; P90-K94 VanDerWaalsContact CB-O 3.25Å; P90-K94 WeakPolarHBondContact CB-O 3.42Å; P90-K94 WeakPolarHBondContact CG-O 3.37Å; P90-Y96 VanDerWaalsContact CA-CE2 3.45Å; P90-Y96 HydrophobicContact CB-CD2 3.79Å; P90-Y96 HydrophobicContact CB-CE2 3.58Å; P90-Y96 HydrophobicContact CB-CG 4.45Å; P90-Y96 HydrophobicContact CG-CD2 4.08Å; P90-Y96 HydrophobicContact CG-CE2 4.18Å |
| 91 | P | 79.7 | Confident | 80.7 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 31% | 0.312 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 153.3 | 174.6 | 27.3 | -35.1 | 0 | 0 | 0 | 110.5 | G93 K94 | P91-G93 PolarHBondContact O-N 2.71Å; P91-K94 HydrophobicContact CG-CB 4.34Å; P91-K94 HydrophobicContact CG-CD 4.01Å; P91-K94 HydrophobicContact CG-CG 4.39Å; P91-K94 WeakPolarHBondContact O-CB 3.21Å; P91-K94 PolarHBondContact O-N 3.46Å |
| 92 | T | 76.8 | Confident | 80.8 | Confident | 152 Ų | 152 | 59.6 Ų | 59.6 | 93% | 0.933 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 130.9 | -172.8 | -42.3 | 0 | 0 | 0 | 0 | 112.6 | K94 | T92-K94 VanDerWaalsContact C-N 3.32Å; T92-K94 PolarHBondContact O-N 2.9Å |
| 93 | G | 77 | Confident | 81 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 8.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P91 D109 | P91-G93 PolarHBondContact O-N 2.71Å; G93-D109 PolarHBondContact O-N 2.86Å |
| 94 | K | 82.5 | Confident | 81 | Confident | 113 Ų | 113 | 54.8 Ų | 54.8 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 157.2 | 174.4 | -55.9 | -168.9 | -167.4 | 171.5 | 0 | 111.2 | P90 P91 T92 I106 C107 | P90-K94 HydrophobicContact CB-CB 4.46Å; P90-K94 VanDerWaalsContact CB-O 3.25Å; P90-K94 WeakPolarHBondContact CB-O 3.42Å; P90-K94 WeakPolarHBondContact CG-O 3.37Å; P91-K94 HydrophobicContact CG-CB 4.34Å; P91-K94 HydrophobicContact CG-CD 4.01Å; P91-K94 HydrophobicContact CG-CG 4.39Å; P91-K94 WeakPolarHBondContact O-CB 3.21Å; P91-K94 PolarHBondContact O-N 3.46Å; T92-K94 VanDerWaalsContact C-N 3.32Å; T92-K94 PolarHBondContact O-N 2.9Å; K94-I106 HydrophobicContact CB-CG2 3.91Å; K94-I106 HydrophobicContact CD-CG2 3.74Å; K94-I106 HydrophobicContact CG-CG2 4.4Å; K94-C107 CarbonylContact C-O 3.56Å; K94-C107 WeakPolarHBondContact CA-O 3.44Å; K94-C107 WeakPolarHBondContact CB-O 3.47Å |
| 95 | K | 84 | Confident | 81.1 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 22% | 0.222 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.9 | 174.5 | 61.2 | -176.3 | 170.9 | -171.1 | 0 | 110.7 | V97 C107 K108 D109 S111 L127 | K95-V97 HydrophobicContact CD-CG2 4.44Å; K95-V97 HydrophobicContact CG-CG2 4.1Å; K95-C107 PolarHBondContact N-O 3.02Å; K95-C107 PolarHBondContact O-N 2.94Å; K95-K108 VanDerWaalsContact CE-O 3.28Å; K95-K108 WeakPolarHBondContact CE-O 3.34Å; K95-D109 WeakPolarHBondContact CE-O 3.37Å; K95-D109 PolarHBondContact NZ-O 2.92Å; K95-S111 PolarHBondContact NZ-O 3.29Å; K95-L127 HydrophobicContact CD-CD2 4.05Å |
| 96 | Y | 84.8 | Confident | 81.4 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.3 | 169.4 | -68.8 | -62 | 0 | 0 | 0 | 110 | H74 V75 P86 K88 P90 L104 L105 I106 | H74-Y96 WeakPolarHBondContact CB-OH 3.48Å; V75-Y96 HydrophobicContact CG2-CE1 3.64Å; P86-Y96 HydrophobicContact CB-CD2 3.98Å; P86-Y96 HydrophobicContact CB-CE2 3.96Å; P86-Y96 HydrophobicContact CB-CG 4.39Å; K88-Y96 WeakPolarHBondContact O-CE2 3.26Å; P90-Y96 VanDerWaalsContact CA-CE2 3.45Å; P90-Y96 HydrophobicContact CB-CD2 3.79Å; P90-Y96 HydrophobicContact CB-CE2 3.58Å; P90-Y96 HydrophobicContact CB-CG 4.45Å; P90-Y96 HydrophobicContact CG-CD2 4.08Å; P90-Y96 HydrophobicContact CG-CE2 4.18Å; Y96-L104 HydrophobicContact CD1-CD1 4.31Å; Y96-L104 HydrophobicContact CD1-CD2 4.31Å; Y96-L104 HydrophobicContact CD1-CG 4.29Å; Y96-L104 HydrophobicContact CG-CD1 4.49Å; Y96-L105 WeakPolarHBondContact CA-O 3.25Å; Y96-I106 HydrophobicContact CD1-CD1 4.46Å; Y96-I106 HydrophobicContact CD1-CG1 3.86Å; Y96-I106 HydrophobicContact CE1-CD1 3.69Å; Y96-I106 HydrophobicContact CE1-CG1 3.58Å |
| 97 | V | 85.3 | Confident | 81.7 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.2 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | K95 L105 C107 I125 L127 | K95-V97 HydrophobicContact CD-CG2 4.44Å; K95-V97 HydrophobicContact CG-CG2 4.1Å; V97-L105 PolarHBondContact N-O 3Å; V97-L105 PolarHBondContact O-N 2.85Å; V97-C107 HydrophobicContact CG2-CB 4.3Å; V97-I125 HydrophobicContact CG1-CD1 4.33Å; V97-I125 HydrophobicContact CG1-CG2 4.45Å; V97-L127 HydrophobicContact CB-CD2 4.38Å; V97-L127 HydrophobicContact CG1-CD1 4.36Å; V97-L127 HydrophobicContact CG1-CD2 4.07Å; V97-L127 HydrophobicContact CG2-CD2 3.39Å |
| 98 | R | 84.9 | Confident | 81.9 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.5 | 175.6 | -154.8 | 168.3 | -136.5 | -103.9 | -3.5 | 109.3 | V60 E83 A84 N102 | V60-R98 VanDerWaalsContact CG2-NH2 3.31Å; E83-R98 VanDerWaalsContact CG-NH2 3.33Å; A84-R98 PolarHBondContact O-NH2 3.41Å; R98-N102 VanDerWaalsContact CZ-O 3.22Å; R98-N102 PolarHBondContact NH1-O 3.26Å; R98-N102 PolarHBondContact NH1-OD1 3.44Å; R98-N102 PolarHBondContact NH2-O 3.37Å |
| 99 | C | 83.9 | Confident | 82.1 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | trans | -71 | 151.3 | 171.9 | -170 | 0 | 0 | 0 | 0 | 109.8 | C101 N102 C103 C116 I125 | C99-C101 PolarHBondContact O-N 3.25Å; C99-C101 PolarHBondContact SG-SG 3.07Å; C99-N102 WeakPolarHBondContact O-CA 3.43Å; C99-N102 PolarHBondContact O-N 2.98Å; C99-C103 HydrophobicContact CB-CB 4.12Å; C99-C103 PolarHBondContact N-O 3.48Å; C99-C116 HydrophobicContact CB-CB 4.46Å; C99-I125 HydrophobicContact CB-CD1 3.88Å | ||
| 100 | P | 82.6 | Confident | 82.2 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.5 | 171.8 | -28.6 | 35.8 | 0 | 0 | 0 | 114.6 | N102 | P100-N102 PolarHBondContact O-N 3.02Š|
| 101 | C | 80.6 | Confident | 82.2 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 15.4 | 171.7 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | C99 C103 C116 C121 | C99-C101 PolarHBondContact O-N 3.25Å; C99-C101 PolarHBondContact SG-SG 3.07Å; C101-C103 PolarHBondContact O-N 3.38Å; C101-C103 VanDerWaalsContact SG-CB 3.58Å; C101-C116 PolarHBondContact SG-SG 2.95Å; C101-C121 HydrophobicContact CB-CB 3.99Å; C101-C121 VanDerWaalsContact CB-SG 3.59Å |
| 102 | N | 82.6 | Confident | 82.1 | Confident | 69 Ų | 69 | 64 Ų | 64 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 68.9 | -4.6 | -176.4 | -66.7 | -45.5 | 0 | 0 | 0 | 117 | V60 E83 R98 C99 P100 L104 | V60-N102 HydrophobicContact CG2-CB 4.31Å; E83-N102 HydrophobicContact CG-CB 4.19Å; E83-N102 WeakPolarHBondContact CG-O 3.39Å; R98-N102 VanDerWaalsContact CZ-O 3.22Å; R98-N102 PolarHBondContact NH1-O 3.26Å; R98-N102 PolarHBondContact NH1-OD1 3.44Å; R98-N102 PolarHBondContact NH2-O 3.37Å; C99-N102 WeakPolarHBondContact O-CA 3.43Å; C99-N102 PolarHBondContact O-N 2.98Å; P100-N102 PolarHBondContact O-N 3.02Å; N102-L104 PolarHBondContact O-N 3.17Å |
| 103 | C | 85.3 | Confident | 82.4 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | trans | -61.8 | 119.4 | 176.5 | -173.2 | 0 | 0 | 0 | 0 | 112 | E83 C99 C101 | E83-C103 VanDerWaalsContact OE1-CA 3.31Å; E83-C103 WeakPolarHBondContact OE1-CA 3.4Å; C99-C103 HydrophobicContact CB-CB 4.12Å; C99-C103 PolarHBondContact N-O 3.48Å; C101-C103 PolarHBondContact O-N 3.38Å; C101-C103 VanDerWaalsContact SG-CB 3.58Å | ||
| 104 | L | 85.5 | Confident | 82.9 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 123.4 | 172.9 | -172.5 | 69.8 | 0 | 0 | 0 | 110.5 | V75 A84 P86 Y96 N102 | V75-L104 HydrophobicContact CG1-CD2 3.81Å; V75-L104 HydrophobicContact CG2-CD2 4.29Å; A84-L104 HydrophobicContact CB-CB 3.93Å; A84-L104 HydrophobicContact CB-CD2 3.99Å; P86-L104 HydrophobicContact CB-CD2 4.39Å; P86-L104 HydrophobicContact CG-CD2 4.48Å; Y96-L104 HydrophobicContact CD1-CD1 4.31Å; Y96-L104 HydrophobicContact CD1-CD2 4.31Å; Y96-L104 HydrophobicContact CD1-CG 4.29Å; Y96-L104 HydrophobicContact CG-CD1 4.49Å; N102-L104 PolarHBondContact O-N 3.17Å |
| 105 | L | 86.2 | Confident | 83.1 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.9 | -179.4 | -59.3 | 171.2 | 0 | 0 | 0 | 110.3 | Y96 V97 I114 P117 I125 | Y96-L105 WeakPolarHBondContact CA-O 3.25Å; V97-L105 PolarHBondContact N-O 3Å; V97-L105 PolarHBondContact O-N 2.85Å; L105-I114 HydrophobicContact CD1-CG1 4Å; L105-P117 VanDerWaalsContact CD2-CD 3.42Å; L105-P117 HydrophobicContact CD2-CG 3.85Å; L105-I125 HydrophobicContact CD1-CD1 4.48Å |
| 106 | I | 86.8 | Confident | 83.3 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.4 | 172.2 | -48 | -174.5 | 0 | 0 | 0 | 106.6 | V75 K94 Y96 | V75-I106 HydrophobicContact CG2-CD1 4.49Å; K94-I106 HydrophobicContact CB-CG2 3.91Å; K94-I106 HydrophobicContact CD-CG2 3.74Å; K94-I106 HydrophobicContact CG-CG2 4.4Å; Y96-I106 HydrophobicContact CD1-CD1 4.46Å; Y96-I106 HydrophobicContact CD1-CG1 3.86Å; Y96-I106 HydrophobicContact CE1-CD1 3.69Å; Y96-I106 HydrophobicContact CE1-CG1 3.58Å |
| 107 | C | 85.1 | Confident | 83.4 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 159 | -179.6 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | K94 K95 V97 I114 | K94-C107 CarbonylContact C-O 3.56Å; K94-C107 WeakPolarHBondContact CA-O 3.44Å; K94-C107 WeakPolarHBondContact CB-O 3.47Å; K95-C107 PolarHBondContact N-O 3.02Å; K95-C107 PolarHBondContact O-N 2.94Å; V97-C107 HydrophobicContact CG2-CB 4.3Å; C107-I114 VanDerWaalsContact SG-CG1 3.51Å |
| 108 | K | 82 | Confident | 83.4 | Confident | 126 Ų | 126 | 65.9 Ų | 65.9 | 55% | 0.548 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 142.7 | 168.4 | -170.9 | 171.3 | 178.4 | 176.4 | 0 | 108.5 | K95 T110 S111 | K95-K108 VanDerWaalsContact CE-O 3.28Å; K95-K108 WeakPolarHBondContact CE-O 3.34Å; K108-T110 WeakPolarHBondContact CD-OG1 3.06Å; K108-T110 WeakPolarHBondContact CE-OG1 3.43Å; K108-T110 PolarHBondContact O-N 2.94Å; K108-S111 WeakPolarHBondContact CB-OG 3.23Å; K108-S111 PolarHBondContact N-OG 2.95Å; K108-S111 VanDerWaalsContact O-CB 3.22Å; K108-S111 WeakPolarHBondContact O-CB 3.34Å; K108-S111 PolarHBondContact O-N 2.99Å; K108-S111 PolarHBondContact O-OG 3.4Å |
| 109 | D | 78.8 | Confident | 83.2 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -40.7 | 174.1 | 54 | -1.1 | 0 | 0 | 0 | 112.7 | G93 K95 S111 | G93-D109 PolarHBondContact O-N 2.86Å; K95-D109 WeakPolarHBondContact CE-O 3.37Å; K95-D109 PolarHBondContact NZ-O 2.92Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.46Å |
| 110 | T | 74.6 | Confident | 83 | Confident | 93 Ų | 93 | 74.7 Ų | 74.7 | 57% | 0.571 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7.4 | 177.2 | 67.9 | 0 | 0 | 0 | 0 | 115 | K108 R112 | K108-T110 WeakPolarHBondContact CD-OG1 3.06Å; K108-T110 WeakPolarHBondContact CE-OG1 3.43Å; K108-T110 PolarHBondContact O-N 2.94Å; T110-R112 PolarHBondContact O-N 2.92Å; T110-R112 VanDerWaalsContact O-N 3.14Å |
| 111 | S | 76.4 | Confident | 83.1 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 26% | 0.259 | 38% | 0.376 | S | S | . | . | trans | -64.7 | 117 | 179.4 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | K95 K108 D109 | K95-S111 PolarHBondContact NZ-O 3.29Å; K108-S111 WeakPolarHBondContact CB-OG 3.23Å; K108-S111 PolarHBondContact N-OG 2.95Å; K108-S111 VanDerWaalsContact O-CB 3.22Å; K108-S111 WeakPolarHBondContact O-CB 3.34Å; K108-S111 PolarHBondContact O-N 2.99Å; K108-S111 PolarHBondContact O-OG 3.4Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.46Å | ||
| 112 | R | 79.3 | Confident | 83.3 | Confident | 186 Ų | 186 | 79.7 Ų | 79.7 | 70% | 0.702 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -88.3 | -25.1 | 177.7 | -60.9 | -174.9 | -178.2 | -163.9 | -0.6 | 113.3 | T110 N126 L127 | T110-R112 PolarHBondContact O-N 2.92Å; T110-R112 VanDerWaalsContact O-N 3.14Å; R112-N126 CarbonylContact O-C 3.52Å; R112-N126 WeakPolarHBondContact O-CA 3.41Å; R112-L127 PolarHBondContact O-N 2.88Å |
| 113 | R | 82.6 | Confident | 83.4 | Confident | 166 Ų | 166 | 83.1 Ų | 83.1 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 125.4 | -176.5 | -166.6 | 175.6 | -168.8 | -122.5 | 3.9 | 109.8 | I124 I125 | R113-I124 HydrophobicContact CG-CG2 3.26Å; R113-I125 WeakPolarHBondContact CA-O 3.36Å |
| 114 | I | 87.2 | Confident | 83.4 | Confident | 43 Ų | 43 | 86 Ų | 86 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.6 | 177.6 | 171.9 | 68.5 | 0 | 0 | 0 | 109.6 | L105 C107 I125 L127 | L105-I114 HydrophobicContact CD1-CG1 4Å; C107-I114 VanDerWaalsContact SG-CG1 3.51Å; I114-I125 HydrophobicContact CG2-CB 3.94Å; I114-I125 HydrophobicContact CG2-CD1 4.45Å; I114-I125 PolarHBondContact N-O 3.18Å; I114-I125 PolarHBondContact O-N 3.06Å; I114-L127 HydrophobicContact CG2-CD1 3.35Å |
| 115 | G | 87.3 | Confident | 83.3 | Confident | 37 Ų | 37 | 86.1 Ų | 86.1 | 38% | 0.381 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R123 | G115-R123 WeakPolarHBondContact CA-O 3.28Å |
| 116 | C | 87.9 | Confident | 83 | Confident | 5 Ų | 5 | 90.8 Ų | 90.8 | 3% | 0.034 | 45% | 0.447 | C | S | . | . | trans | -71.4 | 129 | 169.2 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | C99 C101 R118 C121 R122 R123 | C99-C116 HydrophobicContact CB-CB 4.46Å; C101-C116 PolarHBondContact SG-SG 2.95Å; C116-R118 PolarHBondContact O-N 3.23Å; C116-C121 HydrophobicContact CB-CB 4.34Å; C116-R122 WeakPolarHBondContact O-CA 3.38Å; C116-R123 PolarHBondContact N-O 3.48Å | ||
| 117 | P | 85.6 | Confident | 82.6 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | trans | -73.5 | -12.5 | 179.8 | 30.7 | -35.5 | 0 | 0 | 0 | 113.3 | L105 | L105-P117 VanDerWaalsContact CD2-CD 3.42Å; L105-P117 HydrophobicContact CD2-CG 3.85Å | ||
| 118 | R | 85.4 | Confident | 81.6 | Confident | 103 Ų | 103 | 92.4 Ų | 92.4 | 39% | 0.389 | 46% | 0.463 | S | S | . | . | trans | -64.5 | 126.6 | -177.4 | -168.6 | 176.7 | -82.6 | -165.5 | 3.7 | 109.4 | E83 C116 N120 C121 R122 | E83-R118 IonicContact OE2-NH2 3.07Å; E83-R118 PolarHBondContact OE2-NH2 2.91Å; C116-R118 PolarHBondContact O-N 3.23Å; R118-N120 PolarHBondContact O-N 3.38Å; R118-N120 VanDerWaalsContact O-N 3.16Å; R118-C121 HydrophobicContact CB-CB 4.08Å; R118-C121 PolarHBondContact O-N 3.01Å; R118-R122 PolarHBondContact O-N 2.63Å; R118-R122 VanDerWaalsContact O-N 3.07Å | ||
| 119 | P | 81.9 | Confident | 80.2 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.7 | -173 | 21.7 | -33.4 | 0 | 0 | 0 | 113 | ||
| 120 | N | 80.2 | Confident | 78.8 | Confident | 160 Ų | 160 | 92.9 Ų | 92.9 | 86% | 0.856 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.4 | 179.6 | -61.3 | -30.3 | 0 | 0 | 0 | 114.4 | R118 | R118-N120 PolarHBondContact O-N 3.38Å; R118-N120 VanDerWaalsContact O-N 3.16Å |
| 121 | C | 84.4 | Confident | 77.3 | Confident | 34 Ų | 34 | 96.2 Ų | 96.2 | 23% | 0.23 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -54.9 | -179.3 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | C101 C116 R118 R123 | C101-C121 HydrophobicContact CB-CB 3.99Å; C101-C121 VanDerWaalsContact CB-SG 3.59Å; C116-C121 HydrophobicContact CB-CB 4.34Å; R118-C121 HydrophobicContact CB-CB 4.08Å; R118-C121 PolarHBondContact O-N 3.01Å; C121-R123 PolarHBondContact O-N 3.38Å |
| 122 | R | 83.6 | Confident | 75.4 | Confident | 187 Ų | 187 | 100.7 Ų | 100.7 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | trans | 39.2 | 20.5 | -177.5 | -68.3 | -177.2 | 177.7 | 165.8 | 1.3 | 116 | C116 R118 | C116-R122 WeakPolarHBondContact O-CA 3.38Å; R118-R122 PolarHBondContact O-N 2.63Å; R118-R122 VanDerWaalsContact O-N 3.07Å | ||
| 123 | R | 85.6 | Confident | 73.6 | Confident | 142 Ų | 142 | 98.5 Ų | 98.5 | 54% | 0.536 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 139.1 | -172.8 | 178.7 | 174.7 | -83.9 | 157.2 | -5.6 | 108.9 | G115 C116 C121 | G115-R123 WeakPolarHBondContact CA-O 3.28Å; C116-R123 PolarHBondContact N-O 3.48Å; C121-R123 PolarHBondContact O-N 3.38Å |
| 124 | I | 85.9 | Confident | 71.8 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 40% | 0.4 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.5 | 178.5 | -53.8 | 174.2 | 0 | 0 | 0 | 108.6 | R113 | R113-I124 HydrophobicContact CG-CG2 3.26Å |
| 125 | I | 83.1 | Confident | 69.6 | Low | 29 Ų | 29 | 103.2 Ų | 103.2 | 15% | 0.149 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.4 | -178.9 | -51.6 | 166.4 | 0 | 0 | 0 | 107.1 | V97 C99 L105 R113 I114 L127 | V97-I125 HydrophobicContact CG1-CD1 4.33Å; V97-I125 HydrophobicContact CG1-CG2 4.45Å; C99-I125 HydrophobicContact CB-CD1 3.88Å; L105-I125 HydrophobicContact CD1-CD1 4.48Å; R113-I125 WeakPolarHBondContact CA-O 3.36Å; I114-I125 HydrophobicContact CG2-CB 3.94Å; I114-I125 HydrophobicContact CG2-CD1 4.45Å; I114-I125 PolarHBondContact N-O 3.18Å; I114-I125 PolarHBondContact O-N 3.06Å; I125-L127 HydrophobicContact CB-CD1 4.31Å; I125-L127 HydrophobicContact CG2-CD1 3.88Å; I125-L127 HydrophobicContact CG2-CG 4.49Å |
| 126 | N | 79.9 | Confident | 67.3 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.6 | 171.3 | -62.4 | -45.3 | 0 | 0 | 0 | 108 | R112 | R112-N126 CarbonylContact O-C 3.52Å; R112-N126 WeakPolarHBondContact O-CA 3.41Å |
| 127 | L | 77 | Confident | 64.8 | Low | 29 Ų | 29 | 116.8 Ų | 116.8 | 15% | 0.152 | 61% | 0.61 | C | S | . | * | trans | -97.3 | 110.8 | 174.9 | -73.6 | 89.9 | 0 | 0 | 0 | 107.6 | K95 V97 R112 I114 I125 | K95-L127 HydrophobicContact CD-CD2 4.05Å; V97-L127 HydrophobicContact CB-CD2 4.38Å; V97-L127 HydrophobicContact CG1-CD1 4.36Å; V97-L127 HydrophobicContact CG1-CD2 4.07Å; V97-L127 HydrophobicContact CG2-CD2 3.39Å; R112-L127 PolarHBondContact O-N 2.88Å; I114-L127 HydrophobicContact CG2-CD1 3.35Å; I125-L127 HydrophobicContact CB-CD1 4.31Å; I125-L127 HydrophobicContact CG2-CD1 3.88Å; I125-L127 HydrophobicContact CG2-CG 4.49Å | ||
| 128 | S | 64.6 | Low | 62.8 | Low | 103 Ų | 103 | 117.2 Ų | 117.2 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | trans | -60.4 | 128.5 | 172.2 | -60.4 | 0 | 0 | 0 | 0 | 108.6 | V130 | S128-V130 PolarHBondContact O-N 2.98Å; S128-V130 VanDerWaalsContact O-N 3.14Å | ||
| 129 | P | 53.3 | Low | 60.7 | Low | 84 Ų | 84 | 117.1 Ų | 117.1 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | trans | -62.9 | 118.9 | 174.5 | 24 | -29.3 | 0 | 0 | 0 | 108.1 | M131 | P129-M131 PolarHBondContact O-N 3.09Š| ||
| 130 | V | 48.9 | Very low | 58.6 | Low | 132 Ų | 132 | 122 Ų | 122 | 80% | 0.8 | 65% | 0.649 | S | S | * | * | trans | -66.2 | 104.8 | 165.4 | 177.8 | 0 | 0 | 0 | 0 | 104.9 | S128 V132 | S128-V130 PolarHBondContact O-N 2.98Å; S128-V130 VanDerWaalsContact O-N 3.14Å; V130-V132 PolarHBondContact O-N 3.04Å; V130-V132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | M | 42.2 | Very low | 56.7 | Low | 163 Ų | 163 | 120.3 Ų | 120.3 | 80% | 0.803 | 65% | 0.647 | S | S | * | * | trans | -66.2 | 110.4 | 169.9 | -62 | -156.7 | -62.6 | 0 | 0 | 105.8 | P129 I133 | P129-M131 PolarHBondContact O-N 3.09Å; M131-I133 VanDerWaalsContact C-N 3.34Å; M131-I133 PolarHBondContact O-N 3.14Å | ||
| 132 | V | 36.4 | Very low | 54.9 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | trans | -67.2 | 99.5 | 173.2 | -167.2 | 0 | 0 | 0 | 0 | 105.6 | V130 | V130-V132 PolarHBondContact O-N 3.04Å; V130-V132 VanDerWaalsContact O-N 3.09Å | ||
| 133 | I | 42.3 | Very low | 52.7 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | trans | -74.4 | 124.6 | 162.4 | -53.1 | 171.7 | 0 | 0 | 0 | 104.3 | M131 E135 | M131-I133 VanDerWaalsContact C-N 3.34Å; M131-I133 PolarHBondContact O-N 3.14Å; I133-E135 PolarHBondContact O-N 2.84Å | ||
| 134 | P | 44.1 | Very low | 50.5 | Low | 121 Ų | 121 | 120.3 Ų | 120.3 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | trans | -60.3 | 110.1 | 169.9 | -19.5 | 32.3 | 0 | 0 | 0 | 108.3 | E136 | P134-E136 PolarHBondContact O-N 3.33Š| ||
| 135 | E | 42.3 | Very low | 48.5 | Very low | 188 Ų | 188 | 124.6 Ų | 124.6 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | trans | -80.1 | 108.2 | -176 | -167.8 | 166.5 | 115.4 | 0 | 0 | 109.2 | I133 | I133-E135 PolarHBondContact O-N 2.84Š| ||
| 136 | E | 38.1 | Very low | 46.6 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | -113.6 | 133.4 | 154.3 | -117.5 | -165.2 | 105 | 0 | 0 | 108.1 | P134 | P134-E136 PolarHBondContact O-N 3.33Š| ||
| 137 | Q | 36.7 | Very low | 45 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 76.6 | 151.8 | 168.6 | -111.7 | 70.3 | -44.2 | 0 | 0 | 118.8 | ||
| 138 | P | 42.3 | Very low | 43.9 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | -123.6 | 158.5 | -122.6 | 16.7 | 11.2 | 0 | 0 | 0 | 112.6 | |||||
| 139 | A | 42.8 | Very low | 43.6 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | 39.9 | 89.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 140 | Q | 36.3 | Very low | 44.3 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | -140.5 | 150.6 | 146.1 | -72.7 | -165.3 | -13.6 | 0 | 0 | 112.2 | ||||
| 141 | P | 40.7 | Very low | 45.5 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -76.9 | 151.5 | -163.6 | -10.7 | 28.3 | 0 | 0 | 0 | 114.3 | L143 | P141-L143 PolarHBondContact O-N 2.85Š| ||
| 142 | A | 45.9 | Very low | 46.9 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -48.5 | 122.1 | -171 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 143 | L | 37.6 | Very low | 48.9 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | trans | -109.6 | 146.1 | 148.8 | -74.9 | 175.5 | 0 | 0 | 0 | 109 | P141 I145 | P141-L143 PolarHBondContact O-N 2.85Å; L143-I145 PolarHBondContact O-N 2.81Å | ||
| 144 | P | 40.4 | Very low | 50.6 | Low | 109 Ų | 109 | 113.1 Ų | 113.1 | 71% | 0.708 | 62% | 0.62 | S | S | * | * | trans | -61 | 123.7 | -177.4 | 24.7 | -31.4 | 0 | 0 | 0 | 109.2 | Q146 | P144-Q146 PolarHBondContact O-N 2.81Š| ||
| 145 | I | 42.9 | Very low | 52 | Low | 169 Ų | 169 | 108.9 Ų | 108.9 | 87% | 0.867 | 60% | 0.598 | S | S | * | * | trans | -65.5 | 81 | 174.6 | -59.2 | 154.6 | 0 | 0 | 0 | 107.5 | L143 | L143-I145 PolarHBondContact O-N 2.81Š| ||
| 146 | Q | 43.2 | Very low | 53.7 | Low | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 57% | 0.571 | S | S | * | * | trans | -60.2 | 136.5 | 153.7 | -75.2 | -84.6 | -27.8 | 0 | 0 | 105.6 | P144 E148 | P144-Q146 PolarHBondContact O-N 2.81Å; Q146-E148 PolarHBondContact O-N 2.96Å | ||
| 147 | P | 46.2 | Very low | 55.7 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | trans | -53.7 | 117.8 | 160.5 | 25.5 | -29.9 | 0 | 0 | 0 | 104.8 | G149 M164 | P147-G149 PolarHBondContact O-N 3.48Å; P147-M164 HydrophobicContact CB-SD 3.94Å; P147-M164 HydrophobicContact CG-CE 4.15Å; P147-M164 HydrophobicContact CG-SD 4Å | ||
| 148 | E | 54.7 | Low | 57.4 | Low | 190 Ų | 190 | 92.3 Ų | 92.3 | 89% | 0.888 | 54% | 0.539 | S | S | * | . | trans | -63.2 | 83.6 | -176.5 | -73.8 | -164.3 | 131.4 | 0 | 0 | 108.6 | Q146 M150 | Q146-E148 PolarHBondContact O-N 2.96Å; E148-M150 PolarHBondContact O-N 3Å | ||
| 149 | G | 58.3 | Low | 59.2 | Low | 14 Ų | 14 | 90.8 Ų | 90.8 | 14% | 0.144 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 121.7 | 166 | 0 | 0 | 0 | 0 | 0 | 106.1 | P147 R151 L162 W163 | P147-G149 PolarHBondContact O-N 3.48Å; G149-R151 PolarHBondContact O-N 3.44Å; G149-L162 WeakPolarHBondContact O-CD2 3.22Å; G149-W163 CarbonylContact C-O 3.55Å; G149-W163 VanDerWaalsContact CA-O 3.23Å; G149-W163 WeakPolarHBondContact CA-O 3.44Å |
| 150 | M | 68.6 | Low | 60.7 | Low | 73 Ų | 73 | 88.6 Ų | 88.6 | 36% | 0.36 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 124.9 | 169.9 | -173.7 | -178.8 | -69.9 | 0 | 0 | 107.6 | E148 V152 W163 P252 | E148-M150 PolarHBondContact O-N 3Å; M150-V152 HydrophobicContact CB-CG2 4.12Å; M150-V152 HydrophobicContact CG-CG2 3.72Å; M150-V152 PolarHBondContact O-N 3.05Å; M150-V152 HydrophobicContact SD-CG2 3.96Å; M150-W163 PolarHBondContact N-O 3.39Å; M150-W163 PolarHBondContact O-N 3.16Å; M150-P252 HydrophobicContact CG-CB 4.13Å; M150-P252 HydrophobicContact SD-CB 3.74Å |
| 151 | R | 72.7 | Confident | 62.7 | Low | 148 Ų | 148 | 80.4 Ų | 80.4 | 56% | 0.558 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 119.3 | 168.6 | -74.6 | -177.8 | -176.2 | -97.5 | -0.5 | 107.8 | G149 T160 L162 E253 | G149-R151 PolarHBondContact O-N 3.44Å; R151-T160 HydrophobicContact CB-CG2 3.84Å; R151-T160 HydrophobicContact CG-CG2 4.27Å; R151-L162 HydrophobicContact CG-CD2 4.25Å; R151-E253 HydrophobicContact CB-CB 4.35Å; R151-E253 PolarHBondContact O-N 3.19Å |
| 152 | V | 73.1 | Confident | 64.2 | Low | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.006 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.2 | -175.7 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | M150 T160 F161 W163 V183 | M150-V152 HydrophobicContact CB-CG2 4.12Å; M150-V152 HydrophobicContact CG-CG2 3.72Å; M150-V152 PolarHBondContact O-N 3.05Å; M150-V152 HydrophobicContact SD-CG2 3.96Å; V152-T160 WeakPolarHBondContact O-CA 3.41Å; V152-F161 HydrophobicContact CB-CE1 4.33Å; V152-F161 HydrophobicContact CB-CE2 4.38Å; V152-F161 HydrophobicContact CB-CZ 4.09Å; V152-F161 HydrophobicContact CG1-CE1 4.3Å; V152-F161 HydrophobicContact CG1-CZ 4.09Å; V152-F161 PolarHBondContact N-O 2.99Å; V152-F161 WeakPolarHBondContact O-CD1 3.44Å; V152-F161 PolarHBondContact O-N 3.07Å; V152-W163 HydrophobicContact CG2-CB 4.03Å; V152-V183 HydrophobicContact CB-CG1 4.29Å; V152-V183 HydrophobicContact CG1-CG1 4.02Å; V152-V183 HydrophobicContact CG1-CG2 3.98Å; V152-V183 HydrophobicContact CG2-CG1 3.59Å |
| 153 | V | 76.8 | Confident | 65.2 | Low | 44 Ų | 44 | 75.9 Ų | 75.9 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.2 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | G155 G158 S250 Y251 E253 | V153-G155 PolarHBondContact O-N 3.44Å; V153-G158 WeakPolarHBondContact CG1-O 3.35Å; V153-S250 WeakPolarHBondContact O-CA 3.33Å; V153-S250 WeakPolarHBondContact O-CB 3.36Å; V153-Y251 PolarHBondContact N-O 3.47Å; V153-Y251 PolarHBondContact O-N 3.12Å; V153-E253 HydrophobicContact CG2-CB 4.19Å |
| 154 | C | 79.6 | Confident | 66.4 | Low | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.007 | 39% | 0.394 | C | S | . | . | trans | -66.5 | 122 | 178.6 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | H156 C157 G158 N159 F161 C177 | C154-H156 PolarHBondContact O-N 3.5Å; C154-H156 PolarHBondContact SG-N 3.44Å; C154-H156 VanDerWaalsContact SG-N 3.44Å; C154-C157 PolarHBondContact O-N 3.29Å; C154-G158 WeakPolarHBondContact O-CA 2.94Å; C154-G158 PolarHBondContact O-N 3.15Å; C154-N159 WeakPolarHBondContact CB-O 3.38Å; C154-N159 PolarHBondContact N-O 2.91Å; C154-F161 HydrophobicContact CB-CD1 4.28Å; C154-F161 HydrophobicContact CB-CE1 4.01Å; C154-C177 PolarHBondContact SG-SG 3.27Å | ||
| 155 | G | 71.8 | Confident | 67.2 | Low | 32 Ų | 32 | 73.8 Ų | 73.8 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -3.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V153 | V153-G155 PolarHBondContact O-N 3.44Š|
| 156 | H | 78.3 | Confident | 67.5 | Low | 69 Ų | 69 | 73.2 Ų | 73.2 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -38.5 | 176 | -63 | -63.2 | 0 | 0 | 0 | 114.2 | C154 K179 I180 S181 | C154-H156 PolarHBondContact O-N 3.5Å; C154-H156 PolarHBondContact SG-N 3.44Å; C154-H156 VanDerWaalsContact SG-N 3.44Å; H156-K179 HydrophobicContact CB-CB 4.49Å; H156-K179 HydrophobicContact CB-CD 4.03Å; H156-K179 VanDerWaalsContact CD2-CB 3.46Å; H156-K179 WeakPolarHBondContact CD2-CB 3.35Å; H156-I180 PolarHBondContact NE2-O 3.29Å; H156-S181 PolarHBondContact CD2-OG 2.07Å; H156-S181 PolarHBondContact NE2-OG 2.81Å |
| 157 | C | 80.2 | Confident | 67.8 | Low | 50 Ų | 50 | 76.5 Ų | 76.5 | 34% | 0.338 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -5.1 | -173.3 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | C154 N159 C177 | C154-C157 PolarHBondContact O-N 3.29Å; C157-N159 PolarHBondContact O-N 2.85Å; C157-C177 HydrophobicContact CB-CB 3.97Å |
| 158 | G | 74.2 | Confident | 67.9 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | trans | 73.6 | -1.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | V153 C154 | V153-G158 WeakPolarHBondContact CG1-O 3.35Å; C154-G158 WeakPolarHBondContact O-CA 2.94Å; C154-G158 PolarHBondContact O-N 3.15Å | ||
| 159 | N | 78.2 | Confident | 67.8 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | trans | -81.3 | 137.3 | 179.4 | -69.5 | -12.5 | 0 | 0 | 0 | 111.3 | C154 C157 H176 | C154-N159 WeakPolarHBondContact CB-O 3.38Å; C154-N159 PolarHBondContact N-O 2.91Å; C157-N159 PolarHBondContact O-N 2.85Å; N159-H176 HydrophobicContact CB-CB 4.49Å; N159-H176 VanDerWaalsContact CB-CD2 3.47Å; N159-H176 WeakPolarHBondContact CB-CD2 3.5Å; N159-H176 PolarHBondContact ND2-ND1 2.68Å | ||
| 160 | T | 76.1 | Confident | 67.8 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131.2 | 175.4 | -46.7 | 0 | 0 | 0 | 0 | 110.5 | R151 V152 E253 | R151-T160 HydrophobicContact CB-CG2 3.84Å; R151-T160 HydrophobicContact CG-CG2 4.27Å; V152-T160 WeakPolarHBondContact O-CA 3.41Å; T160-E253 WeakPolarHBondContact CG2-OE2 3.43Å |
| 161 | F | 76.9 | Confident | 67.5 | Low | 18 Ų | 18 | 82.9 Ų | 82.9 | 8% | 0.079 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.3 | 171.3 | 65.5 | -85.5 | 0 | 0 | 0 | 110.7 | V152 C154 W163 A172 P175 V183 | V152-F161 HydrophobicContact CB-CE1 4.33Å; V152-F161 HydrophobicContact CB-CE2 4.38Å; V152-F161 HydrophobicContact CB-CZ 4.09Å; V152-F161 HydrophobicContact CG1-CE1 4.3Å; V152-F161 HydrophobicContact CG1-CZ 4.09Å; V152-F161 PolarHBondContact N-O 2.99Å; V152-F161 WeakPolarHBondContact O-CD1 3.44Å; V152-F161 PolarHBondContact O-N 3.07Å; C154-F161 HydrophobicContact CB-CD1 4.28Å; C154-F161 HydrophobicContact CB-CE1 4.01Å; F161-W163 HydrophobicContact CD2-CB 4.45Å; F161-W163 HydrophobicContact CE2-CB 4.05Å; F161-W163 HydrophobicContact CE2-CD2 4.48Å; F161-W163 AromaticContact CE2-CE3 3.88Å; F161-W163 HydrophobicContact CE2-CE3 3.88Å; F161-A172 HydrophobicContact CE2-CB 4.11Å; F161-A172 HydrophobicContact CZ-CB 4.07Å; F161-P175 HydrophobicContact CB-CG 4.04Å; F161-V183 HydrophobicContact CE2-CG2 4.25Å; F161-V183 HydrophobicContact CZ-CG2 3.78Å |
| 162 | L | 73.1 | Confident | 67.2 | Low | 91 Ų | 91 | 75.9 Ų | 75.9 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 115.5 | 174.5 | -83.3 | 153.3 | 0 | 0 | 0 | 109.2 | G149 R151 M164 | G149-L162 WeakPolarHBondContact O-CD2 3.22Å; R151-L162 HydrophobicContact CG-CD2 4.25Å; L162-M164 HydrophobicContact CB-CE 4.4Å; L162-M164 HydrophobicContact CD2-CE 4.35Å |
| 163 | W | 66.7 | Low | 67.2 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 16% | 0.155 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.8 | 172.9 | -175.8 | -103.5 | 0 | 0 | 0 | 109.9 | G149 M150 V152 F161 N169 A172 V183 | G149-W163 CarbonylContact C-O 3.55Å; G149-W163 VanDerWaalsContact CA-O 3.23Å; G149-W163 WeakPolarHBondContact CA-O 3.44Å; M150-W163 PolarHBondContact N-O 3.39Å; M150-W163 PolarHBondContact O-N 3.16Å; V152-W163 HydrophobicContact CG2-CB 4.03Å; F161-W163 HydrophobicContact CD2-CB 4.45Å; F161-W163 HydrophobicContact CE2-CB 4.05Å; F161-W163 HydrophobicContact CE2-CD2 4.48Å; F161-W163 AromaticContact CE2-CE3 3.88Å; F161-W163 HydrophobicContact CE2-CE3 3.88Å; W163-N169 WeakPolarHBondContact CZ2-O 3.22Å; W163-A172 HydrophobicContact CD2-CB 4.11Å; W163-A172 HydrophobicContact CE3-CB 3.39Å; W163-A172 HydrophobicContact CH2-CB 3.45Å; W163-A172 VanDerWaalsContact CH2-CB 3.45Å; W163-A172 HydrophobicContact CZ2-CB 4.15Å; W163-A172 HydrophobicContact CZ3-CB 3.03Å; W163-V183 HydrophobicContact CB-CG1 4.15Å; W163-V183 HydrophobicContact CD2-CB 4.33Å; W163-V183 HydrophobicContact CD2-CG1 4.2Å; W163-V183 HydrophobicContact CD2-CG2 4.4Å; W163-V183 HydrophobicContact CG-CB 4.36Å; W163-V183 HydrophobicContact CG-CG1 3.72Å |
| 164 | M | 63.3 | Low | 67.2 | Low | 75 Ų | 75 | 80.5 Ų | 80.5 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | trans | -89.2 | 116.6 | 175.8 | -67.5 | -67.8 | 147.8 | 0 | 0 | 108.9 | P147 L162 L166 | P147-M164 HydrophobicContact CB-SD 3.94Å; P147-M164 HydrophobicContact CG-CE 4.15Å; P147-M164 HydrophobicContact CG-SD 4Å; L162-M164 HydrophobicContact CB-CE 4.4Å; L162-M164 HydrophobicContact CD2-CE 4.35Å; M164-L166 PolarHBondContact O-N 3Å | ||
| 165 | E | 57.2 | Low | 67.2 | Low | 141 Ų | 141 | 84.6 Ų | 84.6 | 66% | 0.659 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -11.2 | 180 | -154.7 | 73.7 | -147.5 | 0 | 0 | 114 | R167 | E165-R167 PolarHBondContact O-N 2.84Å; E165-R167 VanDerWaalsContact O-N 3.15Å |
| 166 | L | 47.5 | Very low | 67.5 | Low | 158 Ų | 158 | 88.3 Ų | 88.3 | 83% | 0.827 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -0.7 | -173.5 | -153.4 | 72.3 | 0 | 0 | 0 | 115.2 | M164 | M164-L166 PolarHBondContact O-N 3Š|
| 167 | R | 50.6 | Low | 67.5 | Low | 198 Ų | 198 | 86.8 Ų | 86.8 | 75% | 0.747 | 45% | 0.445 | S | S | * | . | trans | -111 | 110.3 | 171.5 | -74.1 | -164.3 | -179.7 | -177.3 | 2.1 | 109.6 | E165 N169 | E165-R167 PolarHBondContact O-N 2.84Å; E165-R167 VanDerWaalsContact O-N 3.15Å; R167-N169 PolarHBondContact O-N 2.79Å | ||
| 168 | F | 47.6 | Very low | 67.3 | Low | 210 Ų | 210 | 92 Ų | 92 | 92% | 0.921 | 46% | 0.462 | S | S | * | . | trans | -52.1 | 4.2 | 170 | -62.2 | -83.5 | 0 | 0 | 0 | 115.9 | ||||
| 169 | N | 52.7 | Low | 67.3 | Low | 116 Ų | 116 | 95.6 Ų | 95.6 | 62% | 0.62 | 46% | 0.463 | S | S | * | . | trans | -95.5 | 114.7 | 175.5 | -84.7 | 20.6 | 0 | 0 | 0 | 110.3 | W163 R167 L171 | W163-N169 WeakPolarHBondContact CZ2-O 3.22Å; R167-N169 PolarHBondContact O-N 2.79Å; N169-L171 PolarHBondContact O-N 3.33Å | ||
| 170 | T | 58.5 | Low | 66.9 | Low | 72 Ų | 72 | 97 Ų | 97 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -66.6 | 7.4 | 177.1 | -17 | 0 | 0 | 0 | 0 | 114.4 | S182 | T170-S182 WeakPolarHBondContact O-CA 3.45Å; T170-S182 PolarHBondContact O-OG 3.42Å |
| 171 | L | 62.8 | Low | 66.4 | Low | 98 Ų | 98 | 94.5 Ų | 94.5 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111.3 | -178.5 | -98.6 | 73.4 | 0 | 0 | 0 | 109.3 | N169 I180 | N169-L171 PolarHBondContact O-N 3.33Å; L171-I180 HydrophobicContact CB-CG2 4.02Å; L171-I180 HydrophobicContact CD2-CG2 3.49Å; L171-I180 VanDerWaalsContact CD2-CG2 3.49Å; L171-I180 HydrophobicContact CG-CG2 3.57Å |
| 172 | A | 67.1 | Low | 65.7 | Low | 1 Ų | 1 | 94.2 Ų | 94.2 | 1% | 0.008 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 135.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F161 W163 I180 S181 V183 | F161-A172 HydrophobicContact CE2-CB 4.11Å; F161-A172 HydrophobicContact CZ-CB 4.07Å; W163-A172 HydrophobicContact CD2-CB 4.11Å; W163-A172 HydrophobicContact CE3-CB 3.39Å; W163-A172 HydrophobicContact CH2-CB 3.45Å; W163-A172 VanDerWaalsContact CH2-CB 3.45Å; W163-A172 HydrophobicContact CZ2-CB 4.15Å; W163-A172 HydrophobicContact CZ3-CB 3.03Å; A172-I180 CarbonylContact O-C 3.53Å; A172-I180 WeakPolarHBondContact O-CA 3.45Å; A172-S181 PolarHBondContact N-O 3.11Å; A172-S181 PolarHBondContact O-N 2.84Å; A172-S181 VanDerWaalsContact O-O 3.11Å; A172-V183 HydrophobicContact CB-CB 4.25Å; A172-V183 HydrophobicContact CB-CG2 3.3Å |
| 173 | K | 72.9 | Confident | 65 | Low | 141 Ų | 141 | 90.3 Ų | 90.3 | 61% | 0.613 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.8 | 167.6 | -166.9 | 173.8 | -176.1 | 174.2 | 0 | 108.5 | K178 | K173-K178 WeakPolarHBondContact CE-O 3.14Å; K173-K178 WeakPolarHBondContact CG-O 2.93Å |
| 174 | C | 77.1 | Confident | 64.6 | Low | 2 Ų | 2 | 89.5 Ų | 89.5 | 1% | 0.014 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 124.8 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | H176 C177 K178 K179 | C174-H176 VanDerWaalsContact C-N 3.3Å; C174-H176 PolarHBondContact O-N 3.41Å; C174-C177 HydrophobicContact CB-CB 4.32Å; C174-C177 WeakPolarHBondContact CB-SG 3.29Å; C174-C177 WeakPolarHBondContact SG-CB 3.24Å; C174-C177 PolarHBondContact SG-N 3.3Å; C174-C177 CovalentContact SG-SG 2.07Å; C174-C177 PolarHBondContact SG-SG 3.24Å; C174-K178 WeakPolarHBondContact O-CA 3.46Å; C174-K178 PolarHBondContact O-N 2.95Å; C174-K179 VanDerWaalsContact CB-O 3.29Å; C174-K179 WeakPolarHBondContact CB-O 3.2Å; C174-K179 PolarHBondContact N-O 3.05Å |
| 175 | P | 78.2 | Confident | 64.1 | Low | 87 Ų | 87 | 89 Ų | 89 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -27.5 | 178.7 | 25.2 | -31.8 | 0 | 0 | 0 | 112.9 | F161 | F161-P175 HydrophobicContact CB-CG 4.04Š|
| 176 | H | 78.5 | Confident | 63.7 | Low | 109 Ų | 109 | 85.7 Ų | 85.7 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -42.8 | -179.5 | -57.9 | -77.6 | 0 | 0 | 0 | 112.8 | N159 C174 | N159-H176 HydrophobicContact CB-CB 4.49Å; N159-H176 VanDerWaalsContact CB-CD2 3.47Å; N159-H176 WeakPolarHBondContact CB-CD2 3.5Å; N159-H176 PolarHBondContact ND2-ND1 2.68Å; C174-H176 VanDerWaalsContact C-N 3.3Å; C174-H176 PolarHBondContact O-N 3.41Å |
| 177 | C | 77.7 | Confident | 63.9 | Low | 38 Ų | 38 | 83 Ų | 83 | 26% | 0.257 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -6.9 | -165.9 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | C154 C157 C174 K179 | C154-C177 PolarHBondContact SG-SG 3.27Å; C157-C177 HydrophobicContact CB-CB 3.97Å; C174-C177 HydrophobicContact CB-CB 4.32Å; C174-C177 WeakPolarHBondContact CB-SG 3.29Å; C174-C177 WeakPolarHBondContact SG-CB 3.24Å; C174-C177 PolarHBondContact SG-N 3.3Å; C174-C177 CovalentContact SG-SG 2.07Å; C174-C177 PolarHBondContact SG-SG 3.24Å; C177-K179 PolarHBondContact O-N 3.38Å |
| 178 | K | 77.1 | Confident | 64 | Low | 159 Ų | 159 | 74.9 Ų | 74.9 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | trans | 55.9 | 2.2 | -178 | -63.8 | 177.5 | -177.8 | 173.9 | 0 | 115.4 | K173 C174 | K173-K178 WeakPolarHBondContact CE-O 3.14Å; K173-K178 WeakPolarHBondContact CG-O 2.93Å; C174-K178 WeakPolarHBondContact O-CA 3.46Å; C174-K178 PolarHBondContact O-N 2.95Å | ||
| 179 | K | 73.6 | Confident | 64.7 | Low | 125 Ų | 125 | 73.5 Ų | 73.5 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | trans | -74.8 | 147.5 | 173.4 | -68.7 | -176.4 | -179.2 | -178 | 0 | 110.4 | H156 C174 C177 | H156-K179 HydrophobicContact CB-CB 4.49Å; H156-K179 HydrophobicContact CB-CD 4.03Å; H156-K179 VanDerWaalsContact CD2-CB 3.46Å; H156-K179 WeakPolarHBondContact CD2-CB 3.35Å; C174-K179 VanDerWaalsContact CB-O 3.29Å; C174-K179 WeakPolarHBondContact CB-O 3.2Å; C174-K179 PolarHBondContact N-O 3.05Å; C177-K179 PolarHBondContact O-N 3.38Å | ||
| 180 | I | 70.6 | Confident | 65.2 | Low | 103 Ų | 103 | 77.2 Ų | 77.2 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.7 | -180 | -61.1 | 161 | 0 | 0 | 0 | 107.4 | H156 L171 A172 | H156-I180 PolarHBondContact NE2-O 3.29Å; L171-I180 HydrophobicContact CB-CG2 4.02Å; L171-I180 HydrophobicContact CD2-CG2 3.49Å; L171-I180 VanDerWaalsContact CD2-CG2 3.49Å; L171-I180 HydrophobicContact CG-CG2 3.57Å; A172-I180 CarbonylContact O-C 3.53Å; A172-I180 WeakPolarHBondContact O-CA 3.45Å |
| 181 | S | 65.1 | Low | 65.8 | Low | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.1 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | H156 A172 S250 | H156-S181 PolarHBondContact CD2-OG 2.07Å; H156-S181 PolarHBondContact NE2-OG 2.81Å; A172-S181 PolarHBondContact N-O 3.11Å; A172-S181 PolarHBondContact O-N 2.84Å; A172-S181 VanDerWaalsContact O-O 3.11Å; S181-S250 WeakPolarHBondContact CB-OG 3.21Å |
| 182 | S | 62.2 | Low | 66 | Low | 12 Ų | 12 | 77.7 Ų | 77.7 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125 | 172.8 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | T170 P188 S250 | T170-S182 WeakPolarHBondContact O-CA 3.45Å; T170-S182 PolarHBondContact O-OG 3.42Å; S182-P188 WeakPolarHBondContact OG-CG 3.42Å; S182-S250 PolarHBondContact O-N 3.02Å; S182-S250 PolarHBondContact O-OG 3.21Å |
| 183 | V | 58.5 | Low | 66.2 | Low | 10 Ų | 10 | 80.9 Ų | 80.9 | 6% | 0.061 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.6 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 108.4 | V152 F161 W163 A172 | V152-V183 HydrophobicContact CB-CG1 4.29Å; V152-V183 HydrophobicContact CG1-CG1 4.02Å; V152-V183 HydrophobicContact CG1-CG2 3.98Å; V152-V183 HydrophobicContact CG2-CG1 3.59Å; F161-V183 HydrophobicContact CE2-CG2 4.25Å; F161-V183 HydrophobicContact CZ-CG2 3.78Å; W163-V183 HydrophobicContact CB-CG1 4.15Å; W163-V183 HydrophobicContact CD2-CB 4.33Å; W163-V183 HydrophobicContact CD2-CG1 4.2Å; W163-V183 HydrophobicContact CD2-CG2 4.4Å; W163-V183 HydrophobicContact CG-CB 4.36Å; W163-V183 HydrophobicContact CG-CG1 3.72Å; A172-V183 HydrophobicContact CB-CB 4.25Å; A172-V183 HydrophobicContact CB-CG2 3.3Å |
| 184 | G | 58.8 | Low | 66.5 | Low | 23 Ų | 23 | 76.2 Ų | 76.2 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | trans | 132.9 | 102.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A186 P188 | G184-A186 VanDerWaalsContact C-N 3.3Å; G184-A186 PolarHBondContact O-N 3.41Å; G184-P188 WeakPolarHBondContact O-CD 3.32Å; G184-P188 WeakPolarHBondContact O-CG 3.36Å | ||
| 185 | S | 50.8 | Low | 66.5 | Low | 66 Ų | 66 | 80.9 Ų | 80.9 | 46% | 0.462 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -69.9 | -17.2 | -170.8 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 186 | A | 49.9 | Very low | 66.5 | Low | 70 Ų | 70 | 80.4 Ų | 80.4 | 58% | 0.579 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -106.3 | -31.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G184 R190 | G184-A186 VanDerWaalsContact C-N 3.3Å; G184-A186 PolarHBondContact O-N 3.41Å; A186-R190 WeakPolarHBondContact O-CB 3.44Å |
| 187 | L | 51.8 | Low | 66.8 | Low | 101 Ų | 101 | 78.9 Ų | 78.9 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -89.6 | -38.9 | -167.7 | -72.5 | 158.5 | 0 | 0 | 0 | 115.5 | R190 R191 | L187-R190 PolarHBondContact O-N 2.86Å; L187-R191 WeakPolarHBondContact O-CG 3.44Å; L187-R191 PolarHBondContact O-N 3.19Å |
| 188 | P | 52.3 | Low | 67.1 | Low | 28 Ų | 28 | 81 Ų | 81 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 179.5 | -16.2 | 28.9 | 0 | 0 | 0 | 112 | S182 G184 R191 C192 | S182-P188 WeakPolarHBondContact OG-CG 3.42Å; G184-P188 WeakPolarHBondContact O-CD 3.32Å; G184-P188 WeakPolarHBondContact O-CG 3.36Å; P188-R191 PolarHBondContact O-N 2.85Å; P188-C192 VanDerWaalsContact O-CB 3.32Å; P188-C192 WeakPolarHBondContact O-CB 3.39Å; P188-C192 PolarHBondContact O-N 2.93Å |
| 189 | R | 63.1 | Low | 67.3 | Low | 182 Ų | 182 | 73.4 Ų | 73.4 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.5 | -40.1 | 176.6 | -167.6 | 170.6 | 179.8 | 167.7 | -0.9 | 111.3 | C192 C193 | R189-C192 PolarHBondContact O-N 3.07Å; R189-C193 WeakPolarHBondContact O-CB 3.35Å; R189-C193 PolarHBondContact O-N 2.93Å; R189-C193 PolarHBondContact O-SG 2.87Å |
| 190 | R | 62.9 | Low | 67.8 | Low | 193 Ų | 193 | 71.6 Ų | 71.6 | 73% | 0.728 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 176.6 | -162.4 | 174.2 | -172.8 | -137.6 | 1.5 | 112.5 | A186 L187 A194 | A186-R190 WeakPolarHBondContact O-CB 3.44Å; L187-R190 PolarHBondContact O-N 2.86Å; R190-A194 VanDerWaalsContact O-CB 3.32Å; R190-A194 WeakPolarHBondContact O-CB 3.32Å; R190-A194 PolarHBondContact O-N 3.37Å |
| 191 | R | 70.3 | Confident | 68.7 | Low | 165 Ų | 165 | 71.2 Ų | 71.2 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -70 | -39.8 | 174.4 | -70.3 | -173.7 | -178.3 | -173.8 | 1.7 | 112.2 | L187 P188 A194 Y195 | L187-R191 WeakPolarHBondContact O-CG 3.44Å; L187-R191 PolarHBondContact O-N 3.19Å; P188-R191 PolarHBondContact O-N 2.85Å; R191-A194 PolarHBondContact O-N 2.79Å; R191-Y195 WeakPolarHBondContact O-CD2 3.4Å; R191-Y195 PolarHBondContact O-N 3.37Å |
| 192 | C | 67.2 | Low | 69.6 | Low | 15 Ų | 15 | 72.9 Ų | 72.9 | 10% | 0.101 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 174.1 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | P188 R189 A194 Y195 I196 W244 | P188-C192 VanDerWaalsContact O-CB 3.32Å; P188-C192 WeakPolarHBondContact O-CB 3.39Å; P188-C192 PolarHBondContact O-N 2.93Å; R189-C192 PolarHBondContact O-N 3.07Å; C192-A194 VanDerWaalsContact C-N 3.3Å; C192-A194 PolarHBondContact O-N 3.41Å; C192-Y195 PolarHBondContact O-N 3.03Å; C192-I196 WeakPolarHBondContact O-CG1 3.33Å; C192-I196 PolarHBondContact O-N 3.42Å; C192-W244 HydrophobicContact CB-CB 4.49Å |
| 193 | C | 71.6 | Confident | 70.7 | Confident | 68 Ų | 68 | 75 Ų | 75 | 46% | 0.459 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 174.5 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | R189 I196 T197 | R189-C193 WeakPolarHBondContact O-CB 3.35Å; R189-C193 PolarHBondContact O-N 2.93Å; R189-C193 PolarHBondContact O-SG 2.87Å; C193-I196 PolarHBondContact O-N 3.42Å; C193-T197 WeakPolarHBondContact O-CG2 3.11Å; C193-T197 PolarHBondContact O-N 2.96Å; C193-T197 PolarHBondContact O-OG1 3.24Å |
| 194 | A | 78.8 | Confident | 72.2 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | R190 R191 C192 T197 I198 | R190-A194 VanDerWaalsContact O-CB 3.32Å; R190-A194 WeakPolarHBondContact O-CB 3.32Å; R190-A194 PolarHBondContact O-N 3.37Å; R191-A194 PolarHBondContact O-N 2.79Å; C192-A194 VanDerWaalsContact C-N 3.3Å; C192-A194 PolarHBondContact O-N 3.41Å; A194-T197 WeakPolarHBondContact CA-OG1 3.42Å; A194-T197 PolarHBondContact O-OG1 3.24Å; A194-I198 WeakPolarHBondContact O-CB 3.44Å; A194-I198 WeakPolarHBondContact O-CD1 3.28Å; A194-I198 WeakPolarHBondContact O-CG1 3.32Å; A194-I198 PolarHBondContact O-N 3.49Å |
| 195 | Y | 77.2 | Confident | 73.5 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 175.7 | -75.2 | -62.4 | 0 | 0 | 0 | 112.6 | R191 C192 G199 | R191-Y195 WeakPolarHBondContact O-CD2 3.4Å; R191-Y195 PolarHBondContact O-N 3.37Å; C192-Y195 PolarHBondContact O-N 3.03Å; Y195-G199 PolarHBondContact O-N 3.34Å |
| 196 | I | 79.6 | Confident | 75.2 | Confident | 76 Ų | 76 | 81.7 Ų | 81.7 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 172.9 | -69.7 | -179.3 | 0 | 0 | 0 | 110.3 | C192 C193 G199 M200 A241 | C192-I196 WeakPolarHBondContact O-CG1 3.33Å; C192-I196 PolarHBondContact O-N 3.42Å; C193-I196 PolarHBondContact O-N 3.42Å; I196-G199 PolarHBondContact O-N 2.86Å; I196-M200 HydrophobicContact CG2-CG 4.36Å; I196-M200 VanDerWaalsContact O-CG 3.28Å; I196-M200 WeakPolarHBondContact O-CG 3.43Å; I196-M200 PolarHBondContact O-N 2.73Å; I196-A241 HydrophobicContact CG1-CB 3.78Å |
| 197 | T | 83.2 | Confident | 77.1 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 179.9 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | C193 A194 G199 M200 I201 | C193-T197 WeakPolarHBondContact O-CG2 3.11Å; C193-T197 PolarHBondContact O-N 2.96Å; C193-T197 PolarHBondContact O-OG1 3.24Å; A194-T197 WeakPolarHBondContact CA-OG1 3.42Å; A194-T197 PolarHBondContact O-OG1 3.24Å; T197-G199 PolarHBondContact O-N 3.41Å; T197-M200 PolarHBondContact O-N 3.01Å; T197-I201 WeakPolarHBondContact O-CD1 3.21Å; T197-I201 WeakPolarHBondContact O-CG1 3.08Å; T197-I201 PolarHBondContact O-N 3.14Å |
| 198 | I | 83.7 | Confident | 78.9 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 175 | -67.7 | 166 | 0 | 0 | 0 | 110.9 | A194 M200 I201 C202 | A194-I198 WeakPolarHBondContact O-CB 3.44Å; A194-I198 WeakPolarHBondContact O-CD1 3.28Å; A194-I198 WeakPolarHBondContact O-CG1 3.32Å; A194-I198 PolarHBondContact O-N 3.49Å; I198-M200 PolarHBondContact O-N 2.89Å; I198-I201 PolarHBondContact O-N 3.35Å; I198-C202 PolarHBondContact O-N 2.96Å; I198-C202 PolarHBondContact O-SG 2.85Å |
| 199 | G | 82.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y195 I196 T197 C202 I203 | Y195-G199 PolarHBondContact O-N 3.34Å; I196-G199 PolarHBondContact O-N 2.86Å; T197-G199 PolarHBondContact O-N 3.41Å; G199-C202 PolarHBondContact O-N 2.87Å; G199-I203 PolarHBondContact O-N 3.3Å; G199-I203 VanDerWaalsContact O-N 3.08Å |
| 200 | M | 84.5 | Confident | 81.7 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 42% | 0.424 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 175.4 | -70 | -62.8 | -66.6 | 0 | 0 | 111.4 | I196 T197 I198 C202 I203 F204 | I196-M200 HydrophobicContact CG2-CG 4.36Å; I196-M200 VanDerWaalsContact O-CG 3.28Å; I196-M200 WeakPolarHBondContact O-CG 3.43Å; I196-M200 PolarHBondContact O-N 2.73Å; T197-M200 PolarHBondContact O-N 3.01Å; I198-M200 PolarHBondContact O-N 2.89Å; M200-C202 PolarHBondContact O-N 2.91Å; M200-I203 PolarHBondContact O-N 3.29Å; M200-F204 HydrophobicContact CE-CE2 3.83Å; M200-F204 HydrophobicContact CE-CZ 4.45Å; M200-F204 WeakPolarHBondContact O-CD2 3.18Å; M200-F204 PolarHBondContact O-N 3.03Å |
| 201 | I | 87.9 | Confident | 82.9 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 177.5 | -68.8 | 163.7 | 0 | 0 | 0 | 110.7 | T197 I198 I203 F204 I205 | T197-I201 WeakPolarHBondContact O-CD1 3.21Å; T197-I201 WeakPolarHBondContact O-CG1 3.08Å; T197-I201 PolarHBondContact O-N 3.14Å; I198-I201 PolarHBondContact O-N 3.35Å; I201-I203 VanDerWaalsContact C-N 3.32Å; I201-I203 PolarHBondContact O-N 2.91Å; I201-F204 PolarHBondContact O-N 3Å; I201-I205 HydrophobicContact CG2-CD1 3.64Å; I201-I205 HydrophobicContact CG2-CG1 4.35Å; I201-I205 VanDerWaalsContact O-CG1 3.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.39Å; I201-I205 PolarHBondContact O-N 3.18Å |
| 202 | C | 84.3 | Confident | 83.7 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 177.3 | -72.3 | 0 | 0 | 0 | 0 | 112.7 | I198 G199 M200 G206 | I198-C202 PolarHBondContact O-N 2.96Å; I198-C202 PolarHBondContact O-SG 2.85Å; G199-C202 PolarHBondContact O-N 2.87Å; M200-C202 PolarHBondContact O-N 2.91Å; C202-G206 PolarHBondContact O-N 3.4Å |
| 203 | I | 86.2 | Confident | 84.7 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 175.2 | -73.6 | -173.8 | 0 | 0 | 0 | 111.3 | G199 M200 I201 I205 G206 V207 L238 | G199-I203 PolarHBondContact O-N 3.3Å; G199-I203 VanDerWaalsContact O-N 3.08Å; M200-I203 PolarHBondContact O-N 3.29Å; I201-I203 VanDerWaalsContact C-N 3.32Å; I201-I203 PolarHBondContact O-N 2.91Å; I203-I205 VanDerWaalsContact C-N 3.3Å; I203-I205 PolarHBondContact O-N 3.16Å; I203-G206 PolarHBondContact O-N 3.35Å; I203-G206 VanDerWaalsContact O-N 3.15Å; I203-V207 HydrophobicContact CG2-CG2 4.29Å; I203-V207 WeakPolarHBondContact O-CG2 3.44Å; I203-V207 PolarHBondContact O-N 3.33Å; I203-L238 HydrophobicContact CD1-CD1 3.39Å; I203-L238 HydrophobicContact CD1-CG 4.37Å |
| 204 | F | 88.9 | Confident | 85.1 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | 177.9 | -82.5 | -68.9 | 0 | 0 | 0 | 111.9 | M200 I201 V207 G208 | M200-F204 HydrophobicContact CE-CE2 3.83Å; M200-F204 HydrophobicContact CE-CZ 4.45Å; M200-F204 WeakPolarHBondContact O-CD2 3.18Å; M200-F204 PolarHBondContact O-N 3.03Å; I201-F204 PolarHBondContact O-N 3Å; F204-V207 PolarHBondContact O-N 3.23Å; F204-G208 PolarHBondContact O-N 3.48Å |
| 205 | I | 87.5 | Confident | 85.1 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.7 | -66.2 | 168.5 | 0 | 0 | 0 | 110.6 | I201 I203 V207 G208 L209 | I201-I205 HydrophobicContact CG2-CD1 3.64Å; I201-I205 HydrophobicContact CG2-CG1 4.35Å; I201-I205 VanDerWaalsContact O-CG1 3.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.39Å; I201-I205 PolarHBondContact O-N 3.18Å; I203-I205 VanDerWaalsContact C-N 3.3Å; I203-I205 PolarHBondContact O-N 3.16Å; I205-V207 PolarHBondContact O-N 2.92Å; I205-G208 PolarHBondContact O-N 3.11Å; I205-L209 HydrophobicContact CG2-CD1 3.9Å; I205-L209 HydrophobicContact CG2-CG 4.35Å; I205-L209 WeakPolarHBondContact O-CB 3.43Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 2.92Å |
| 206 | G | 86.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C202 I203 L209 T210 Y231 | C202-G206 PolarHBondContact O-N 3.4Å; I203-G206 PolarHBondContact O-N 3.35Å; I203-G206 VanDerWaalsContact O-N 3.15Å; G206-L209 PolarHBondContact O-N 2.91Å; G206-T210 WeakPolarHBondContact O-CB 3.4Å; G206-T210 PolarHBondContact O-N 3.42Å; G206-T210 PolarHBondContact O-OG1 3.38Å; G206-Y231 PolarHBondContact O-OH 3Å |
| 207 | V | 89.8 | Confident | 84.8 | Confident | 67 Ų | 67 | 71 Ų | 71 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | I203 F204 I205 L209 T210 V211 Y231 | I203-V207 HydrophobicContact CG2-CG2 4.29Å; I203-V207 WeakPolarHBondContact O-CG2 3.44Å; I203-V207 PolarHBondContact O-N 3.33Å; F204-V207 PolarHBondContact O-N 3.23Å; I205-V207 PolarHBondContact O-N 2.92Å; V207-L209 PolarHBondContact O-N 3.47Å; V207-T210 PolarHBondContact O-N 3.42Å; V207-T210 VanDerWaalsContact O-N 3.15Å; V207-V211 HydrophobicContact CG1-CG2 4.43Å; V207-V211 WeakPolarHBondContact O-CG2 3.27Å; V207-V211 PolarHBondContact O-N 2.81Å; V207-Y231 HydrophobicContact CG2-CE1 4.37Å |
| 208 | G | 88.8 | Confident | 84.4 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 45% | 0.454 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F204 I205 T210 V211 G212 | F204-G208 PolarHBondContact O-N 3.48Å; I205-G208 PolarHBondContact O-N 3.11Å; G208-T210 VanDerWaalsContact C-N 3.33Å; G208-T210 PolarHBondContact O-N 2.86Å; G208-V211 PolarHBondContact O-N 3.36Å; G208-G212 PolarHBondContact O-N 3.08Å |
| 209 | L | 87.1 | Confident | 84.2 | Confident | 82 Ų | 82 | 83.5 Ų | 83.5 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 173.8 | -74 | 168.9 | 0 | 0 | 0 | 111.6 | I205 G206 V207 T213 W227 | I205-L209 HydrophobicContact CG2-CD1 3.9Å; I205-L209 HydrophobicContact CG2-CG 4.35Å; I205-L209 WeakPolarHBondContact O-CB 3.43Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 2.92Å; G206-L209 PolarHBondContact O-N 2.91Å; V207-L209 PolarHBondContact O-N 3.47Å; L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.42Å; L209-T213 PolarHBondContact O-N 3.4Å; L209-T213 PolarHBondContact O-OG1 3.06Å; L209-W227 PolarHBondContact O-NE1 3.42Å |
| 210 | T | 86.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 90 Ų | 90 | 10% | 0.104 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 179.7 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | G206 V207 G208 R214 W227 Y231 | G206-T210 WeakPolarHBondContact O-CB 3.4Å; G206-T210 PolarHBondContact O-N 3.42Å; G206-T210 PolarHBondContact O-OG1 3.38Å; V207-T210 PolarHBondContact O-N 3.42Å; V207-T210 VanDerWaalsContact O-N 3.15Å; G208-T210 VanDerWaalsContact C-N 3.33Å; G208-T210 PolarHBondContact O-N 2.86Å; T210-R214 VanDerWaalsContact O-CG 3.31Å; T210-R214 WeakPolarHBondContact O-CG 3.14Å; T210-R214 PolarHBondContact O-N 3.49Å; T210-W227 HydrophobicContact CG2-CD2 4.17Å; T210-W227 HydrophobicContact CG2-CE3 4.05Å; T210-W227 HydrophobicContact CG2-CH2 4.27Å; T210-W227 HydrophobicContact CG2-CZ2 4.37Å; T210-W227 HydrophobicContact CG2-CZ3 4.1Å; T210-Y231 WeakPolarHBondContact CB-OH 3.44Å; T210-Y231 WeakPolarHBondContact OG1-CE2 3.4Å; T210-Y231 PolarHBondContact OG1-OH 3.29Å |
| 211 | V | 89.8 | Confident | 84 | Confident | 82 Ų | 82 | 91.9 Ų | 91.9 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.5 | -44.4 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | V207 G208 | V207-V211 HydrophobicContact CG1-CG2 4.43Å; V207-V211 WeakPolarHBondContact O-CG2 3.27Å; V207-V211 PolarHBondContact O-N 2.81Å; G208-V211 PolarHBondContact O-N 3.36Å |
| 212 | G | 86 | Confident | 83.7 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 69% | 0.691 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -74.8 | -25.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G208 | G208-G212 PolarHBondContact O-N 3.08Å |
| 213 | T | 87.8 | Confident | 83.7 | Confident | 39 Ų | 39 | 89.9 Ų | 89.9 | 24% | 0.239 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 10.9 | -179.2 | -24.2 | 0 | 0 | 0 | 0 | 113.1 | L209 D215 F216 A217 T223 | L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.42Å; L209-T213 PolarHBondContact O-N 3.4Å; L209-T213 PolarHBondContact O-OG1 3.06Å; T213-D215 VanDerWaalsContact C-N 3.35Å; T213-D215 PolarHBondContact O-N 2.93Å; T213-F216 HydrophobicContact CG2-CB 3.66Å; T213-F216 PolarHBondContact O-N 3.49Å; T213-A217 PolarHBondContact O-N 2.9Å; T213-T223 HydrophobicContact CG2-CG2 3.56Å |
| 214 | R | 80.6 | Confident | 83.7 | Confident | 147 Ų | 147 | 92.7 Ų | 92.7 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -42.4 | -175.5 | -120.9 | 169.9 | -168.6 | 157.4 | 2.6 | 113.4 | T210 W227 | T210-R214 VanDerWaalsContact O-CG 3.31Å; T210-R214 WeakPolarHBondContact O-CG 3.14Å; T210-R214 PolarHBondContact O-N 3.49Å; R214-W227 HydrophobicContact CG-CH2 4.33Å |
| 215 | D | 79.3 | Confident | 83.6 | Confident | 135 Ų | 135 | 90.9 Ų | 90.9 | 72% | 0.722 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -32.3 | 179.2 | -64.2 | -64.1 | 0 | 0 | 0 | 112.3 | T213 | T213-D215 VanDerWaalsContact C-N 3.35Å; T213-D215 PolarHBondContact O-N 2.93Å |
| 216 | F | 76.9 | Confident | 83.4 | Confident | 137 Ų | 137 | 89.3 Ų | 89.3 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -73.1 | -30.8 | 176.9 | -112.4 | -93.7 | 0 | 0 | 0 | 113.1 | T213 R218 R219 Y220 | T213-F216 HydrophobicContact CG2-CB 3.66Å; T213-F216 PolarHBondContact O-N 3.49Å; F216-R218 PolarHBondContact O-N 3.26Å; F216-R219 PolarHBondContact O-N 2.95Å; F216-Y220 HydrophobicContact CD1-CD2 4.16Å; F216-Y220 HydrophobicContact CE1-CD2 4.42Å; F216-Y220 HydrophobicContact CE1-CE2 4.33Å; F216-Y220 PolarHBondContact O-N 3.39Å |
| 217 | A | 73.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -63.2 | -24 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T213 R219 T223 Y224 W227 | T213-A217 PolarHBondContact O-N 2.9Å; A217-R219 PolarHBondContact O-N 2.93Å; A217-T223 HydrophobicContact CB-CG2 3.98Å; A217-Y224 HydrophobicContact CB-CE1 4.34Å; A217-Y224 HydrophobicContact CB-CE2 4.08Å; A217-Y224 WeakPolarHBondContact O-CE2 3.29Å; A217-W227 HydrophobicContact CB-CH2 3.45Å; A217-W227 VanDerWaalsContact CB-CH2 3.45Å; A217-W227 HydrophobicContact CB-CZ2 3.83Å; A217-W227 HydrophobicContact CB-CZ3 4.15Å |
| 218 | R | 74.3 | Confident | 83.4 | Confident | 215 Ų | 215 | 90.3 Ų | 90.3 | 81% | 0.811 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -69.3 | -21.4 | 174.6 | -65.7 | -164 | -168.1 | -167.2 | 6.1 | 113.3 | F216 | F216-R218 PolarHBondContact O-N 3.26Š|
| 219 | R | 79.9 | Confident | 83.4 | Confident | 208 Ų | 208 | 94.8 Ų | 94.8 | 79% | 0.785 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -29.6 | -175.1 | -157.6 | 163.5 | -165.8 | 152.7 | 2.4 | 112.9 | F216 A217 | F216-R219 PolarHBondContact O-N 2.95Å; A217-R219 PolarHBondContact O-N 2.93Å |
| 220 | Y | 82.3 | Confident | 83.2 | Confident | 136 Ų | 136 | 92 Ų | 92 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | trans | -129.3 | 110.4 | 179.9 | -65.4 | -82.1 | 0 | 0 | 0 | 110.8 | F216 A222 T223 | F216-Y220 HydrophobicContact CD1-CD2 4.16Å; F216-Y220 HydrophobicContact CE1-CD2 4.42Å; F216-Y220 HydrophobicContact CE1-CE2 4.33Å; F216-Y220 PolarHBondContact O-N 3.39Å; Y220-A222 PolarHBondContact O-N 3.2Å; Y220-A222 VanDerWaalsContact O-N 3.12Å; Y220-T223 WeakPolarHBondContact O-CB 3.32Å; Y220-T223 PolarHBondContact O-N 3.44Å; Y220-T223 VanDerWaalsContact O-N 3.12Å; Y220-T223 PolarHBondContact O-OG1 3.38Å | ||
| 221 | N | 80.6 | Confident | 83.3 | Confident | 125 Ų | 125 | 95.6 Ų | 95.6 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.6 | 178.6 | -66.2 | -35.4 | 0 | 0 | 0 | 113.3 | T223 Y224 | N221-T223 PolarHBondContact O-N 2.97Å; N221-Y224 PolarHBondContact O-N 2.94Å; N221-Y224 VanDerWaalsContact O-N 3.12Å |
| 222 | A | 81.8 | Confident | 83.3 | Confident | 72 Ų | 72 | 96.3 Ų | 96.3 | 60% | 0.595 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.8 | -25.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y220 Y224 V225 S226 | Y220-A222 PolarHBondContact O-N 3.2Å; Y220-A222 VanDerWaalsContact O-N 3.12Å; A222-Y224 VanDerWaalsContact C-N 3.33Å; A222-Y224 PolarHBondContact O-N 3.45Å; A222-V225 PolarHBondContact O-N 3.15Å; A222-S226 PolarHBondContact O-N 3.4Å; A222-S226 VanDerWaalsContact O-N 3.17Å |
| 223 | T | 84.6 | Confident | 83.3 | Confident | 18 Ų | 18 | 97 Ų | 97 | 11% | 0.11 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.7 | -31.4 | 177.6 | -44.3 | 0 | 0 | 0 | 0 | 112.2 | T213 A217 Y220 N221 S226 W227 | T213-T223 HydrophobicContact CG2-CG2 3.56Å; A217-T223 HydrophobicContact CB-CG2 3.98Å; Y220-T223 WeakPolarHBondContact O-CB 3.32Å; Y220-T223 PolarHBondContact O-N 3.44Å; Y220-T223 VanDerWaalsContact O-N 3.12Å; Y220-T223 PolarHBondContact O-OG1 3.38Å; N221-T223 PolarHBondContact O-N 2.97Å; T223-S226 PolarHBondContact O-OG 3.3Å; T223-W227 HydrophobicContact CG2-CZ2 3.94Å; T223-W227 VanDerWaalsContact O-CG 3.26Å; T223-W227 PolarHBondContact O-N 3.43Å |
| 224 | Y | 84.6 | Confident | 83.2 | Confident | 115 Ų | 115 | 95.2 Ų | 95.2 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.2 | -36.5 | 174.1 | -68 | -75 | 0 | 0 | 0 | 112.1 | A217 N221 A222 S226 W227 A228 | A217-Y224 HydrophobicContact CB-CE1 4.34Å; A217-Y224 HydrophobicContact CB-CE2 4.08Å; A217-Y224 WeakPolarHBondContact O-CE2 3.29Å; N221-Y224 PolarHBondContact O-N 2.94Å; N221-Y224 VanDerWaalsContact O-N 3.12Å; A222-Y224 VanDerWaalsContact C-N 3.33Å; A222-Y224 PolarHBondContact O-N 3.45Å; Y224-S226 VanDerWaalsContact C-N 3.34Å; Y224-W227 AromaticContact CD1-CE3 3.8Å; Y224-W227 HydrophobicContact CD1-CE3 3.8Å; Y224-W227 AromaticContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CE1-CE3 4.19Å; Y224-W227 HydrophobicContact CE1-CH2 4.43Å; Y224-W227 AromaticContact CE1-CZ3 3.62Å; Y224-W227 HydrophobicContact CE1-CZ3 3.62Å; Y224-W227 PolarHBondContact O-N 3.23Å; Y224-A228 WeakPolarHBondContact O-CB 3.4Å; Y224-A228 PolarHBondContact O-N 2.85Å |
| 225 | V | 86.5 | Confident | 83.4 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 62% | 0.624 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.6 | -39.4 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | A222 A228 F229 | A222-V225 PolarHBondContact O-N 3.15Å; V225-A228 PolarHBondContact O-N 3.48Å; V225-F229 PolarHBondContact O-N 3.4Å |
| 226 | S | 84.8 | Confident | 83.8 | Confident | 64 Ų | 64 | 90.3 Ų | 90.3 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 176.9 | 70.9 | 0 | 0 | 0 | 0 | 112.5 | A222 T223 Y224 F229 A230 | A222-S226 PolarHBondContact O-N 3.4Å; A222-S226 VanDerWaalsContact O-N 3.17Å; T223-S226 PolarHBondContact O-OG 3.3Å; Y224-S226 VanDerWaalsContact C-N 3.34Å; S226-F229 PolarHBondContact O-N 3.38Å; S226-A230 WeakPolarHBondContact O-CB 3.34Å; S226-A230 PolarHBondContact O-N 3.02Å |
| 227 | W | 86.6 | Confident | 84.1 | Confident | 28 Ų | 28 | 85.3 Ų | 85.3 | 11% | 0.106 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 172.7 | -63.5 | -11.3 | 0 | 0 | 0 | 111.5 | L209 T210 R214 A217 T223 Y224 F229 A230 Y231 | L209-W227 PolarHBondContact O-NE1 3.42Å; T210-W227 HydrophobicContact CG2-CD2 4.17Å; T210-W227 HydrophobicContact CG2-CE3 4.05Å; T210-W227 HydrophobicContact CG2-CH2 4.27Å; T210-W227 HydrophobicContact CG2-CZ2 4.37Å; T210-W227 HydrophobicContact CG2-CZ3 4.1Å; R214-W227 HydrophobicContact CG-CH2 4.33Å; A217-W227 HydrophobicContact CB-CH2 3.45Å; A217-W227 VanDerWaalsContact CB-CH2 3.45Å; A217-W227 HydrophobicContact CB-CZ2 3.83Å; A217-W227 HydrophobicContact CB-CZ3 4.15Å; T223-W227 HydrophobicContact CG2-CZ2 3.94Å; T223-W227 VanDerWaalsContact O-CG 3.26Å; T223-W227 PolarHBondContact O-N 3.43Å; Y224-W227 AromaticContact CD1-CE3 3.8Å; Y224-W227 HydrophobicContact CD1-CE3 3.8Å; Y224-W227 AromaticContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CE1-CE3 4.19Å; Y224-W227 HydrophobicContact CE1-CH2 4.43Å; Y224-W227 AromaticContact CE1-CZ3 3.62Å; Y224-W227 HydrophobicContact CE1-CZ3 3.62Å; Y224-W227 PolarHBondContact O-N 3.23Å; W227-F229 VanDerWaalsContact C-N 3.3Å; W227-F229 PolarHBondContact O-N 2.86Å; W227-A230 PolarHBondContact O-N 3.33Å; W227-Y231 HydrophobicContact CB-CD2 4.4Å; W227-Y231 HydrophobicContact CB-CE2 4.31Å; W227-Y231 WeakPolarHBondContact O-CD2 3.47Å; W227-Y231 PolarHBondContact O-N 3.4Å |
| 228 | A | 88.6 | Confident | 84.5 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 51% | 0.512 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y224 V225 L232 | Y224-A228 WeakPolarHBondContact O-CB 3.4Å; Y224-A228 PolarHBondContact O-N 2.85Å; V225-A228 PolarHBondContact O-N 3.48Å; A228-L232 WeakPolarHBondContact O-CB 3.34Å; A228-L232 PolarHBondContact O-N 2.89Å |
| 229 | F | 88 | Confident | 84.9 | Confident | 138 Ų | 138 | 82.3 Ų | 82.3 | 61% | 0.605 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.4 | -43.3 | 176.8 | -170.9 | -96.1 | 0 | 0 | 0 | 112.5 | V225 S226 W227 L232 L233 | V225-F229 PolarHBondContact O-N 3.4Å; S226-F229 PolarHBondContact O-N 3.38Å; W227-F229 VanDerWaalsContact C-N 3.3Å; W227-F229 PolarHBondContact O-N 2.86Å; F229-L232 PolarHBondContact O-N 3.15Å; F229-L233 HydrophobicContact CE1-CD2 4.47Å; F229-L233 WeakPolarHBondContact O-CB 3.28Å; F229-L233 PolarHBondContact O-N 3.48Å |
| 230 | A | 85 | Confident | 85 | Confident | 25 Ų | 25 | 79.3 Ų | 79.3 | 21% | 0.207 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S226 W227 G234 | S226-A230 WeakPolarHBondContact O-CB 3.34Å; S226-A230 PolarHBondContact O-N 3.02Å; W227-A230 PolarHBondContact O-N 3.33Å; A230-G234 PolarHBondContact O-N 2.92Å |
| 231 | Y | 86.9 | Confident | 84.7 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 36% | 0.361 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 176.4 | -73.5 | -61.8 | 0 | 0 | 0 | 112.6 | G206 V207 T210 W227 G234 L235 | G206-Y231 PolarHBondContact O-OH 3Å; V207-Y231 HydrophobicContact CG2-CE1 4.37Å; T210-Y231 WeakPolarHBondContact CB-OH 3.44Å; T210-Y231 WeakPolarHBondContact OG1-CE2 3.4Å; T210-Y231 PolarHBondContact OG1-OH 3.29Å; W227-Y231 HydrophobicContact CB-CD2 4.4Å; W227-Y231 HydrophobicContact CB-CE2 4.31Å; W227-Y231 WeakPolarHBondContact O-CD2 3.47Å; W227-Y231 PolarHBondContact O-N 3.4Å; Y231-G234 PolarHBondContact O-N 3.49Å; Y231-L235 VanDerWaalsContact O-CB 3.32Å; Y231-L235 WeakPolarHBondContact O-CB 3.5Å; Y231-L235 PolarHBondContact O-N 2.85Å |
| 232 | L | 90.2 | Very high | 84.5 | Confident | 96 Ų | 96 | 71 Ų | 71 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 176.6 | -175.7 | 68.6 | 0 | 0 | 0 | 111.3 | A228 F229 L235 I236 | A228-L232 WeakPolarHBondContact O-CB 3.34Å; A228-L232 PolarHBondContact O-N 2.89Å; F229-L232 PolarHBondContact O-N 3.15Å; L232-L235 PolarHBondContact O-N 2.89Å; L232-I236 HydrophobicContact CD1-CD1 4.46Å; L232-I236 HydrophobicContact CG-CD1 4.06Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.43Å; L232-I236 PolarHBondContact O-N 2.95Å |
| 233 | L | 86.3 | Confident | 84.4 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 177.4 | -168 | 66.7 | 0 | 0 | 0 | 111.2 | F229 L235 I236 C237 | F229-L233 HydrophobicContact CE1-CD2 4.47Å; F229-L233 WeakPolarHBondContact O-CB 3.28Å; F229-L233 PolarHBondContact O-N 3.48Å; L233-L235 PolarHBondContact O-N 2.72Å; L233-I236 PolarHBondContact O-N 3.36Å; L233-C237 WeakPolarHBondContact O-CB 3.09Å; L233-C237 PolarHBondContact O-N 3.21Å; L233-C237 PolarHBondContact O-SG 2.94Å; L233-C237 VanDerWaalsContact O-SG 3.4Å |
| 234 | G | 85.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A230 Y231 C237 L238 | A230-G234 PolarHBondContact O-N 2.92Å; Y231-G234 PolarHBondContact O-N 3.49Å; G234-C237 PolarHBondContact O-N 3.47Å; G234-L238 PolarHBondContact O-N 3.39Å |
| 235 | L | 86.3 | Confident | 82.7 | Confident | 98 Ų | 98 | 76 Ų | 76 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 177 | -173.6 | 75.4 | 0 | 0 | 0 | 111.8 | Y231 L232 L233 C237 L238 I239 | Y231-L235 VanDerWaalsContact O-CB 3.32Å; Y231-L235 WeakPolarHBondContact O-CB 3.5Å; Y231-L235 PolarHBondContact O-N 2.85Å; L232-L235 PolarHBondContact O-N 2.89Å; L233-L235 PolarHBondContact O-N 2.72Å; L235-C237 VanDerWaalsContact C-N 3.32Å; L235-C237 PolarHBondContact O-N 3.32Å; L235-L238 PolarHBondContact O-N 2.7Å; L235-I239 HydrophobicContact CD2-CD1 4.4Å; L235-I239 HydrophobicContact CG-CD1 3.97Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 2.93Å |
| 236 | I | 87.3 | Confident | 81.7 | Confident | 82 Ų | 82 | 75 Ų | 75 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 177.2 | -68.9 | 165.9 | 0 | 0 | 0 | 110.4 | L232 L233 I239 R240 | L232-I236 HydrophobicContact CD1-CD1 4.46Å; L232-I236 HydrophobicContact CG-CD1 4.06Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.43Å; L232-I236 PolarHBondContact O-N 2.95Å; L233-I236 PolarHBondContact O-N 3.36Å; I236-I239 PolarHBondContact O-N 2.86Å; I236-R240 WeakPolarHBondContact O-CG 3.33Å; I236-R240 PolarHBondContact O-N 3.43Å |
| 237 | C | 82.3 | Confident | 81 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.4 | -75.9 | 0 | 0 | 0 | 0 | 112 | L233 G234 L235 R240 A241 | L233-C237 WeakPolarHBondContact O-CB 3.09Å; L233-C237 PolarHBondContact O-N 3.21Å; L233-C237 PolarHBondContact O-SG 2.94Å; L233-C237 VanDerWaalsContact O-SG 3.4Å; G234-C237 PolarHBondContact O-N 3.47Å; L235-C237 VanDerWaalsContact C-N 3.32Å; L235-C237 PolarHBondContact O-N 3.32Å; C237-R240 PolarHBondContact O-N 3.43Å; C237-A241 WeakPolarHBondContact O-CB 3.2Å; C237-A241 PolarHBondContact O-N 2.93Å |
| 238 | L | 81.7 | Confident | 79.8 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.9 | -93.3 | 178.2 | 0 | 0 | 0 | 112.9 | I203 G234 L235 R240 A241 C242 | I203-L238 HydrophobicContact CD1-CD1 3.39Å; I203-L238 HydrophobicContact CD1-CG 4.37Å; G234-L238 PolarHBondContact O-N 3.39Å; L235-L238 PolarHBondContact O-N 2.7Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.49Å; L238-A241 WeakPolarHBondContact O-CB 3.31Å; L238-A241 PolarHBondContact O-N 3.41Å; L238-A241 VanDerWaalsContact O-N 3.11Å; L238-C242 PolarHBondContact O-N 3.47Å; L238-C242 PolarHBondContact O-SG 3Å; L238-C242 VanDerWaalsContact O-SG 3.4Å |
| 239 | I | 83.8 | Confident | 78.6 | Confident | 103 Ų | 103 | 78.3 Ų | 78.3 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 178.1 | -69.7 | 166 | 0 | 0 | 0 | 110.1 | L235 I236 C242 Y243 | L235-I239 HydrophobicContact CD2-CD1 4.4Å; L235-I239 HydrophobicContact CG-CD1 3.97Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 2.93Å; I236-I239 PolarHBondContact O-N 2.86Å; I239-C242 PolarHBondContact O-N 2.98Å; I239-Y243 WeakPolarHBondContact O-CB 3.44Å; I239-Y243 PolarHBondContact O-N 3.36Å |
| 240 | R | 82.1 | Confident | 77.3 | Confident | 145 Ų | 145 | 71.8 Ų | 71.8 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.9 | -68.1 | -173.6 | 82.2 | 82.9 | -0.9 | 110.9 | I236 C237 L238 C242 Y243 W244 | I236-R240 WeakPolarHBondContact O-CG 3.33Å; I236-R240 PolarHBondContact O-N 3.43Å; C237-R240 PolarHBondContact O-N 3.43Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.49Å; R240-C242 PolarHBondContact O-N 2.97Å; R240-Y243 WeakPolarHBondContact O-CB 3.46Å; R240-Y243 PolarHBondContact O-N 2.96Å; R240-W244 PolarHBondContact O-N 3.2Å |
| 241 | A | 75.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I196 C237 L238 Y243 W244 G245 | I196-A241 HydrophobicContact CG1-CB 3.78Å; C237-A241 WeakPolarHBondContact O-CB 3.2Å; C237-A241 PolarHBondContact O-N 2.93Å; L238-A241 WeakPolarHBondContact O-CB 3.31Å; L238-A241 PolarHBondContact O-N 3.41Å; L238-A241 VanDerWaalsContact O-N 3.11Å; A241-Y243 PolarHBondContact O-N 3.17Å; A241-W244 PolarHBondContact O-N 2.76Å; A241-G245 PolarHBondContact O-N 2.96Å |
| 242 | C | 76.9 | Confident | 74.8 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 58% | 0.581 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 174.6 | -71.4 | 0 | 0 | 0 | 0 | 112.2 | L238 I239 R240 W244 G245 A246 | L238-C242 PolarHBondContact O-N 3.47Å; L238-C242 PolarHBondContact O-SG 3Å; L238-C242 VanDerWaalsContact O-SG 3.4Å; I239-C242 PolarHBondContact O-N 2.98Å; R240-C242 PolarHBondContact O-N 2.97Å; C242-W244 PolarHBondContact O-N 3.41Å; C242-G245 PolarHBondContact O-N 3.39Å; C242-A246 VanDerWaalsContact O-CB 3.32Å; C242-A246 WeakPolarHBondContact O-CB 3.3Å; C242-A246 PolarHBondContact O-N 3.42Å |
| 243 | Y | 78.5 | Confident | 73.4 | Confident | 153 Ų | 153 | 74.1 Ų | 74.1 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.7 | -46.2 | 175.7 | 175.5 | -94.4 | 0 | 0 | 0 | 111.9 | I239 R240 A241 G245 A246 I247 | I239-Y243 WeakPolarHBondContact O-CB 3.44Å; I239-Y243 PolarHBondContact O-N 3.36Å; R240-Y243 WeakPolarHBondContact O-CB 3.46Å; R240-Y243 PolarHBondContact O-N 2.96Å; A241-Y243 PolarHBondContact O-N 3.17Å; Y243-G245 VanDerWaalsContact C-N 3.35Å; Y243-A246 PolarHBondContact O-N 2.9Å; Y243-I247 HydrophobicContact CD1-CD1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 3.85Å; Y243-I247 PolarHBondContact O-N 3.17Å |
| 244 | W | 69.4 | Low | 71.9 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 41% | 0.409 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.6 | -29.7 | 176.8 | -70.6 | 106.8 | 0 | 0 | 0 | 112.9 | C192 R240 A241 C242 I247 | C192-W244 HydrophobicContact CB-CB 4.49Å; R240-W244 PolarHBondContact O-N 3.2Å; A241-W244 PolarHBondContact O-N 2.76Å; C242-W244 PolarHBondContact O-N 3.41Å; W244-I247 HydrophobicContact CE3-CD1 4.08Å; W244-I247 HydrophobicContact CZ3-CD1 4.4Å |
| 245 | G | 65 | Low | 70 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 52% | 0.515 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73 | -30.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A241 C242 Y243 I247 | A241-G245 PolarHBondContact O-N 2.96Å; C242-G245 PolarHBondContact O-N 3.39Å; Y243-G245 VanDerWaalsContact C-N 3.35Å; G245-I247 VanDerWaalsContact C-N 3.34Å |
| 246 | A | 65.3 | Low | 68 | Low | 82 Ų | 82 | 84.6 Ų | 84.6 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -79.1 | -16.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C242 Y243 K248 | C242-A246 VanDerWaalsContact O-CB 3.32Å; C242-A246 WeakPolarHBondContact O-CB 3.3Å; C242-A246 PolarHBondContact O-N 3.42Å; Y243-A246 PolarHBondContact O-N 2.9Å; A246-K248 PolarHBondContact O-N 3.37Å |
| 247 | I | 69.8 | Low | 65.4 | Low | 54 Ų | 54 | 88.6 Ų | 88.6 | 28% | 0.277 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -65.7 | 116.5 | 171.8 | -77.6 | 171.5 | 0 | 0 | 0 | 108.9 | Y243 W244 G245 V249 | Y243-I247 HydrophobicContact CD1-CD1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 3.85Å; Y243-I247 PolarHBondContact O-N 3.17Å; W244-I247 HydrophobicContact CE3-CD1 4.08Å; W244-I247 HydrophobicContact CZ3-CD1 4.4Å; G245-I247 VanDerWaalsContact C-N 3.34Å; I247-V249 PolarHBondContact O-N 3.28Å |
| 248 | K | 61.4 | Low | 64.6 | Low | 130 Ų | 130 | 91.5 Ų | 91.5 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 126.6 | 172.9 | -88.1 | -177.6 | 170.9 | 178.6 | 0 | 110.3 | A246 | A246-K248 PolarHBondContact O-N 3.37Š|
| 249 | V | 62.9 | Low | 63.7 | Low | 39 Ų | 39 | 93.7 Ų | 93.7 | 24% | 0.236 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | I247 | I247-V249 PolarHBondContact O-N 3.28Å |
| 250 | S | 60.3 | Low | 62.6 | Low | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131 | 166.8 | 33.6 | 0 | 0 | 0 | 0 | 109.3 | V153 S181 S182 | V153-S250 WeakPolarHBondContact O-CA 3.33Å; V153-S250 WeakPolarHBondContact O-CB 3.36Å; S181-S250 WeakPolarHBondContact CB-OG 3.21Å; S182-S250 PolarHBondContact O-N 3.02Å; S182-S250 PolarHBondContact O-OG 3.21Å |
| 251 | Y | 60.1 | Low | 61.4 | Low | 146 Ų | 146 | 90.2 Ų | 90.2 | 57% | 0.573 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 140 | -175.2 | -61.5 | -84.5 | 0 | 0 | 0 | 110.5 | V153 | V153-Y251 PolarHBondContact N-O 3.47Å; V153-Y251 PolarHBondContact O-N 3.12Å |
| 252 | P | 60.2 | Low | 60.5 | Low | 20 Ų | 20 | 95.8 Ų | 95.8 | 13% | 0.13 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 140.3 | 164.6 | 27.9 | -31.7 | 0 | 0 | 0 | 108.7 | M150 N254 | M150-P252 HydrophobicContact CG-CB 4.13Å; M150-P252 HydrophobicContact SD-CB 3.74Å; P252-N254 PolarHBondContact O-N 3.04Å |
| 253 | E | 60.6 | Low | 59.5 | Low | 96 Ų | 96 | 96.4 Ų | 96.4 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | trans | -71.4 | 88.7 | 169.9 | -164.7 | 167.6 | -162.9 | 0 | 0 | 106.6 | R151 V153 T160 S255 | R151-E253 HydrophobicContact CB-CB 4.35Å; R151-E253 PolarHBondContact O-N 3.19Å; V153-E253 HydrophobicContact CG2-CB 4.19Å; T160-E253 WeakPolarHBondContact CG2-OE2 3.43Å; E253-S255 PolarHBondContact O-N 3.12Å | ||
| 254 | N | 55.5 | Low | 58.1 | Low | 105 Ų | 105 | 92.4 Ų | 92.4 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | trans | -68.8 | 104 | 167 | -72.8 | 11.4 | 0 | 0 | 0 | 105.4 | P252 F256 | P252-N254 PolarHBondContact O-N 3.04Å; N254-F256 HydrophobicContact CB-CD2 3.69Å; N254-F256 HydrophobicContact CB-CE2 3.54Å; N254-F256 HydrophobicContact CB-CZ 4.5Å; N254-F256 PolarHBondContact O-N 3.12Å | ||
| 255 | S | 45.4 | Very low | 57.2 | Low | 116 Ų | 116 | 91.2 Ų | 91.2 | 81% | 0.811 | 54% | 0.536 | S | S | * | . | trans | -60.6 | 80.3 | 166.2 | -52.7 | 0 | 0 | 0 | 0 | 108.6 | E253 A257 | E253-S255 PolarHBondContact O-N 3.12Å; S255-A257 VanDerWaalsContact C-N 3.32Å; S255-A257 PolarHBondContact O-N 3.27Å | ||
| 256 | F | 43.1 | Very low | 56.6 | Low | 180 Ų | 180 | 94.6 Ų | 94.6 | 79% | 0.789 | 54% | 0.537 | S | S | * | . | trans | -76.8 | 96.4 | 159.9 | -75.9 | -76.3 | 0 | 0 | 0 | 105.6 | N254 | N254-F256 HydrophobicContact CB-CD2 3.69Å; N254-F256 HydrophobicContact CB-CE2 3.54Å; N254-F256 HydrophobicContact CB-CZ 4.5Å; N254-F256 PolarHBondContact O-N 3.12Å | ||
| 257 | A | 34.4 | Very low | 55.8 | Low | 167 Ų | 167 | 95.7 Ų | 95.7 | 100% | 1.38 | 53% | 0.525 | S | S | * | . | trans | -60.3 | 0 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S255 | S255-A257 VanDerWaalsContact C-N 3.32Å; S255-A257 PolarHBondContact O-N 3.27Å |
Retrieved 257 of 257 residues in 293.6 ms
(Link to these results)