| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 43.2 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 100% | 1.172 | 83% | 0.832 | S | S | * | * | 0 | 127.1 | 0 | -68.2 | 75.4 | -178.8 | 0 | 0 | 107.9 | |||||
| 2 | A | 40.7 | Very low | 42.6 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | 47.2 | 118.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | A | 41.4 | Very low | 42.2 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | cis | 73.2 | 128.4 | 49.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 4 | A | 45.7 | Very low | 42.7 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | 116.7 | 101.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 5 | D | 49.2 | Very low | 42.7 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | 50.6 | 157.9 | 91.6 | -74.4 | -12.8 | 0 | 0 | 0 | 121.6 | |||||
| 6 | P | 49.5 | Very low | 42.9 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 83% | 0.831 | S | S | * | * | trans | -96.4 | 169.6 | -136.5 | 38.5 | -36.7 | 0 | 0 | 0 | 114.9 | S8 | P6-S8 PolarHBondContact O-N 3.29Š| ||
| 7 | W | 42.5 | Very low | 42.9 | Very low | 267 Ų | 267 | 134.6 Ų | 134.6 | 100% | 1.011 | 84% | 0.837 | S | S | * | * | trans | -46.4 | 124 | 171.8 | -105 | -14.7 | 0 | 0 | 0 | 112.4 | ||||
| 8 | S | 38.8 | Very low | 42.6 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 84% | 0.84 | S | S | * | * | trans | -134.9 | 144.3 | 169.9 | 51 | 0 | 0 | 0 | 0 | 110.4 | P6 | P6-S8 PolarHBondContact O-N 3.29Š| ||
| 9 | S | 41.5 | Very low | 42.3 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | 79.5 | 143.3 | 152.9 | -47.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 10 | S | 45.8 | Very low | 41.9 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 83% | 0.834 | S | S | * | * | cis | -178.3 | 163.5 | -14.8 | 51.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 11 | D | 42.8 | Very low | 42 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | 73 | 129.4 | 149.5 | -51.9 | -42 | 0 | 0 | 0 | 123 | ||||
| 12 | G | 35.7 | Very low | 42.1 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 159.3 | 86.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 13 | G | 38.2 | Very low | 42 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -71.4 | -174.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 14 | P | 49.4 | Very low | 42 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -96.8 | 156.4 | -152.5 | 37.1 | -34.3 | 0 | 0 | 0 | 114.9 | ||||
| 15 | A | 42.4 | Very low | 41.5 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -104.7 | 113.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 16 | S | 44.9 | Very low | 41.5 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -93.8 | 140.7 | 172.1 | -46.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 17 | R | 44.4 | Very low | 41.1 | Very low | 251 Ų | 251 | 132.5 Ų | 132.5 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | -160.4 | 100.5 | 152.4 | -97.3 | 178.7 | -175.7 | -166.3 | -0.2 | 105.3 | ||||
| 18 | G | 36.5 | Very low | 41.1 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | 84.9 | 126.7 | 81.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 19 | G | 37 | Very low | 41.7 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | cis | 149.1 | 137.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 20 | F | 34 | Very low | 41.9 | Very low | 206 Ų | 206 | 136.8 Ų | 136.8 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -160.5 | 100.1 | 160.7 | -89.6 | -69.9 | 0 | 0 | 0 | 111.6 | ||||
| 21 | T | 43.8 | Very low | 41.6 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 82% | 0.823 | S | S | * | * | trans | 43.7 | 115 | 138.8 | 62.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 22 | D | 41 | Very low | 42.1 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | 8 | 134.2 | 134.9 | -48.4 | -45.8 | 0 | 0 | 0 | 121.5 | ||||
| 23 | G | 37.7 | Very low | 42 | Very low | 84 Ų | 84 | 134.8 Ų | 134.8 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -150.6 | 89.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 24 | E | 41.5 | Very low | 42.3 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -84.2 | 131.4 | 178.2 | -158.6 | 149.5 | 86 | 0 | 0 | 109.9 | ||||
| 25 | N | 35.5 | Very low | 41.9 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | trans | -150.1 | 95.3 | 161.7 | -165.6 | 25 | 0 | 0 | 0 | 110.3 | ||||
| 26 | S | 48.5 | Very low | 42.2 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -79.9 | 128.3 | 168 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 27 | N | 40.6 | Very low | 41.8 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -146.7 | 95.7 | 154.1 | -95.3 | -40.4 | 0 | 0 | 0 | 109.3 | ||||
| 28 | E | 42.8 | Very low | 42.1 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -64.7 | 130.4 | 159.2 | -128.2 | 107.9 | 94.6 | 0 | 0 | 109 | ||||
| 29 | R | 51.8 | Low | 42.7 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -143.4 | 119.7 | 157.7 | -69.4 | -169.1 | -176.3 | 174.9 | 1.8 | 109.7 | ||||
| 30 | D | 45 | Very low | 43.4 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | -74.1 | 128.1 | 174.9 | -72.2 | -66.8 | 0 | 0 | 0 | 113.6 | ||||
| 31 | G | 39.3 | Very low | 44.3 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 62.9 | 176.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 32 | P | 55 | Low | 44.7 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | cis | -125.9 | 178.8 | -29.1 | 39 | -23.7 | 0 | 0 | 0 | 112.1 | ||||
| 33 | G | 32.3 | Very low | 45.2 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 119.3 | 119.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 34 | G | 45.2 | Very low | 46 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -67.8 | 153.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 35 | S | 39.9 | Very low | 46.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -147.4 | 126.1 | 154.7 | -176.6 | 0 | 0 | 0 | 0 | 106.6 | G37 | S35-G37 PolarHBondContact O-N 3.01Š| ||
| 36 | G | 49.5 | Very low | 47.8 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -52 | 109.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | E38 | G36-E38 PolarHBondContact O-N 3.49Š| ||
| 37 | G | 37.5 | Very low | 48.9 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 95.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | S35 T39 | S35-G37 PolarHBondContact O-N 3.01Å; G37-T39 VanDerWaalsContact C-N 3.35Å; G37-T39 PolarHBondContact O-N 3.12Å | ||
| 38 | E | 50.2 | Low | 50.8 | Low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -49 | 105.4 | 164 | -53.7 | -178.8 | -175.3 | 0 | 0 | 106.5 | G36 E40 | G36-E38 PolarHBondContact O-N 3.49Å; E38-E40 VanDerWaalsContact C-N 3.29Å; E38-E40 PolarHBondContact O-N 3.41Å | ||
| 39 | T | 47.8 | Very low | 53 | Low | 125 Ų | 125 | 127.9 Ų | 127.9 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | -65.7 | 100.9 | 175.9 | -31.5 | 0 | 0 | 0 | 0 | 104.7 | G37 R41 | G37-T39 VanDerWaalsContact C-N 3.35Å; G37-T39 PolarHBondContact O-N 3.12Å; T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.89Å | ||
| 40 | E | 51.6 | Low | 54.9 | Low | 186 Ų | 186 | 117 Ų | 117 | 87% | 0.869 | 70% | 0.703 | S | S | * | * | trans | -49.3 | 103.3 | 165.3 | -72.3 | -164.2 | 151.1 | 0 | 0 | 106.1 | E38 K42 | E38-E40 VanDerWaalsContact C-N 3.29Å; E38-E40 PolarHBondContact O-N 3.41Å; E40-K42 PolarHBondContact O-N 3.49Å | ||
| 41 | R | 54.2 | Low | 57.1 | Low | 237 Ų | 237 | 112.9 Ų | 112.9 | 89% | 0.894 | 68% | 0.681 | S | S | * | * | trans | -68.5 | 89.6 | 175.4 | -67 | -171.4 | -173.5 | -168.5 | 2.4 | 105.4 | T39 | T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.89Å | ||
| 42 | K | 52 | Low | 59.6 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | trans | -40.4 | 127.9 | 159.9 | -109.5 | -178.8 | 177.9 | 173.4 | 0 | 105.8 | E40 D44 | E40-K42 PolarHBondContact O-N 3.49Å; K42-D44 PolarHBondContact O-N 3.47Å | ||
| 43 | P | 50.6 | Low | 61.4 | Low | 112 Ų | 112 | 108.8 Ų | 108.8 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -52.7 | 125.9 | 177.8 | 23.3 | -32.1 | 0 | 0 | 0 | 106.4 | R45 | P43-R45 PolarHBondContact O-N 3.22Š| ||
| 44 | D | 54.6 | Low | 64.2 | Low | 159 Ų | 159 | 110.8 Ų | 110.8 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | trans | -54 | 96.1 | 179 | -74 | -43.6 | 0 | 0 | 0 | 106.7 | K42 A46 | K42-D44 PolarHBondContact O-N 3.47Å; D44-A46 PolarHBondContact O-N 2.89Å; D44-A46 VanDerWaalsContact O-N 3.1Å | ||
| 45 | R | 57 | Low | 66.3 | Low | 149 Ų | 149 | 110.7 Ų | 110.7 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | trans | -47.3 | 123.6 | 171.2 | -29 | 179.9 | -168.6 | 133.6 | 12.2 | 102.4 | P43 T47 | P43-R45 PolarHBondContact O-N 3.22Å; R45-T47 WeakPolarHBondContact O-CG2 3.4Å; R45-T47 PolarHBondContact O-N 3.34Å; R45-T47 PolarHBondContact O-OG1 3.01Å | ||
| 46 | A | 58.9 | Low | 68.5 | Low | 92 Ų | 92 | 108.7 Ų | 108.7 | 76% | 0.76 | 59% | 0.59 | S | S | * | * | trans | -61 | 84 | -176 | 0 | 0 | 0 | 0 | 0 | 109.4 | D44 | D44-A46 PolarHBondContact O-N 2.89Å; D44-A46 VanDerWaalsContact O-N 3.1Å | ||
| 47 | T | 70.2 | Confident | 70.3 | Confident | 79 Ų | 79 | 106 Ų | 106 | 49% | 0.485 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -81.7 | 125.2 | 179.1 | 41.3 | 0 | 0 | 0 | 0 | 105.5 | R45 E49 | R45-T47 WeakPolarHBondContact O-CG2 3.4Å; R45-T47 PolarHBondContact O-N 3.34Å; R45-T47 PolarHBondContact O-OG1 3.01Å; T47-E49 PolarHBondContact O-N 2.98Å; T47-E49 VanDerWaalsContact O-N 3.1Å |
| 48 | F | 81.7 | Confident | 72.6 | Confident | 94 Ų | 94 | 111.5 Ų | 111.5 | 41% | 0.412 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 116.2 | 172.2 | -61.3 | -73.4 | 0 | 0 | 0 | 108 | T56 A57 L68 | F48-T56 WeakPolarHBondContact O-CA 3.47Å; F48-A57 HydrophobicContact CB-CB 4.39Å; F48-A57 WeakPolarHBondContact O-CB 3.47Å; F48-A57 PolarHBondContact O-N 3.15Å; F48-L68 HydrophobicContact CB-CD1 3.93Å; F48-L68 HydrophobicContact CB-CD2 4.14Å; F48-L68 HydrophobicContact CD1-CD1 3.69Å; F48-L68 HydrophobicContact CG-CD1 4.14Å |
| 49 | E | 88.6 | Confident | 74.3 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | B | Isolated β-bridge | trans | -102.9 | 134.9 | -178.6 | -167.6 | -174 | 154.5 | 0 | 0 | 110.2 | T47 L54 L68 | T47-E49 PolarHBondContact O-N 2.98Å; T47-E49 VanDerWaalsContact O-N 3.1Å; E49-L54 WeakPolarHBondContact OE1-CA 3.43Å; E49-L68 WeakPolarHBondContact O-CD2 3.44Å |
| 50 | C | 91.8 | Very high | 76.3 | Confident | 0 Ų | 0 | 103.2 Ų | 103.2 | 0% | 0 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 126.9 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | I52 C53 L54 D55 A57 C70 | C50-I52 PolarHBondContact O-N 3.32Å; C50-I52 PolarHBondContact SG-N 3.25Å; C50-I52 VanDerWaalsContact SG-N 3.43Å; C50-C53 WeakPolarHBondContact CB-SG 3.41Å; C50-L54 VanDerWaalsContact O-CA 3.26Å; C50-L54 WeakPolarHBondContact O-CA 3.27Å; C50-L54 PolarHBondContact O-N 2.83Å; C50-D55 PolarHBondContact N-O 2.69Å; C50-A57 HydrophobicContact CB-CB 4.14Å; C50-C70 WeakPolarHBondContact CB-SG 3.43Å; C50-C70 PolarHBondContact SG-N 2.88Å; C50-C70 VanDerWaalsContact SG-SG 3.66Å |
| 51 | N | 91.3 | Very high | 78.2 | Confident | 76 Ų | 76 | 94.7 Ų | 94.7 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 1.7 | -179.3 | -68.7 | -87.5 | 0 | 0 | 0 | 115 | L68 F69 V89 | N51-L68 PolarHBondContact N-O 2.81Å; N51-L68 VanDerWaalsContact N-O 3.17Å; N51-L68 PolarHBondContact ND2-O 2.87Å; N51-F69 HydrophobicContact CB-CD1 3.99Å; N51-F69 HydrophobicContact CB-CE1 3.63Å; N51-V89 HydrophobicContact CB-CG2 3.77Å |
| 52 | I | 92.2 | Very high | 80.1 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 32% | 0.323 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -48.6 | 176.5 | -64.9 | 162.3 | 0 | 0 | 0 | 110.8 | C50 F69 C73 P88 | C50-I52 PolarHBondContact O-N 3.32Å; C50-I52 PolarHBondContact SG-N 3.25Å; C50-I52 VanDerWaalsContact SG-N 3.43Å; I52-F69 HydrophobicContact CD1-CB 4.32Å; I52-F69 HydrophobicContact CD1-CD1 3.55Å; I52-F69 HydrophobicContact CD1-CE1 4.12Å; I52-F69 HydrophobicContact CD1-CG 4.13Å; I52-F69 HydrophobicContact CG1-CD1 3.64Å; I52-F69 HydrophobicContact CG1-CE1 3.99Å; I52-C73 HydrophobicContact CB-CB 3.9Å; I52-C73 HydrophobicContact CD1-CB 3.71Å; I52-C73 HydrophobicContact CG1-CB 4.42Å; I52-C73 HydrophobicContact CG2-CB 3.91Å; I52-P88 HydrophobicContact CD1-CG 4.1Å; I52-P88 HydrophobicContact CG1-CG 4.19Å |
| 53 | C | 92.4 | Very high | 82 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -7.5 | -178.1 | 68.4 | 0 | 0 | 0 | 0 | 114.1 | C50 D55 | C50-C53 WeakPolarHBondContact CB-SG 3.41Å; C53-D55 PolarHBondContact O-N 3.34Å |
| 54 | L | 90.8 | Very high | 83.9 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | trans | 55 | 34.4 | 177.9 | -50.4 | 178.6 | 0 | 0 | 0 | 113.3 | E49 C50 | E49-L54 WeakPolarHBondContact OE1-CA 3.43Å; C50-L54 VanDerWaalsContact O-CA 3.26Å; C50-L54 WeakPolarHBondContact O-CA 3.27Å; C50-L54 PolarHBondContact O-N 2.83Å | ||
| 55 | D | 89.2 | Confident | 85.6 | Confident | 84 Ų | 84 | 73.3 Ų | 73.3 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -134.2 | 171.6 | 179.4 | -166.6 | 6.3 | 0 | 0 | 0 | 109.1 | C50 C53 A57 | C50-D55 PolarHBondContact N-O 2.69Å; C53-D55 PolarHBondContact O-N 3.34Å; D55-A57 PolarHBondContact O-N 3.16Å; D55-A57 VanDerWaalsContact O-N 3.14Å |
| 56 | T | 87.4 | Confident | 87.2 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -52.9 | 118.1 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 110.1 | F48 R58 | F48-T56 WeakPolarHBondContact O-CA 3.47Å; T56-R58 PolarHBondContact O-N 3.35Å |
| 57 | A | 86.4 | Confident | 88.8 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 12% | 0.124 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 117 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F48 C50 D55 A60 L68 | F48-A57 HydrophobicContact CB-CB 4.39Å; F48-A57 WeakPolarHBondContact O-CB 3.47Å; F48-A57 PolarHBondContact O-N 3.15Å; C50-A57 HydrophobicContact CB-CB 4.14Å; D55-A57 PolarHBondContact O-N 3.16Å; D55-A57 VanDerWaalsContact O-N 3.14Å; A57-A60 HydrophobicContact CB-CB 3.88Å; A57-L68 HydrophobicContact CB-CD2 3.43Å; A57-L68 VanDerWaalsContact CB-CD2 3.43Å |
| 58 | R | 84.9 | Confident | 89.9 | Confident | 181 Ų | 181 | 63.6 Ų | 63.6 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 133.1 | 170.2 | -56.8 | 179.3 | -161.2 | 150.5 | 8.3 | 108.2 | T56 A60 C70 | T56-R58 PolarHBondContact O-N 3.35Å; R58-A60 VanDerWaalsContact C-N 3.34Å; R58-A60 PolarHBondContact O-N 3.12Å; R58-C70 WeakPolarHBondContact O-CA 3.48Å; R58-C70 WeakPolarHBondContact O-CB 3.47Å |
| 59 | D | 87.4 | Confident | 90.5 | Very high | 124 Ų | 124 | 59.1 Ų | 59.1 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 58.2 | -171.6 | -56.4 | -41.4 | 0 | 0 | 0 | 110.9 | V61 W71 | D59-V61 PolarHBondContact O-N 3.04Å; D59-W71 HydrophobicContact CB-CB 3.99Å; D59-W71 PolarHBondContact O-N 3.23Å |
| 60 | A | 89.5 | Confident | 90.7 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 125.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A57 R58 L68 F69 L102 | A57-A60 HydrophobicContact CB-CB 3.88Å; R58-A60 VanDerWaalsContact C-N 3.34Å; R58-A60 PolarHBondContact O-N 3.12Å; A60-L68 HydrophobicContact CB-CD1 4.46Å; A60-L68 HydrophobicContact CB-CD2 4.15Å; A60-L68 HydrophobicContact CB-CG 4.41Å; A60-F69 WeakPolarHBondContact CA-O 3.46Å; A60-L102 HydrophobicContact CB-CB 4.25Å; A60-L102 PolarHBondContact O-N 3.28Å |
| 61 | V | 92.2 | Very high | 90.8 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.5 | 174 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | D59 L68 F69 W71 L74 | D59-V61 PolarHBondContact O-N 3.04Å; V61-L68 WeakPolarHBondContact O-CA 3.47Å; V61-F69 HydrophobicContact CG2-CB 4.31Å; V61-F69 WeakPolarHBondContact CG2-O 3.35Å; V61-F69 PolarHBondContact N-O 2.95Å; V61-F69 PolarHBondContact O-N 3.29Å; V61-W71 HydrophobicContact CG1-CB 4.07Å; V61-W71 HydrophobicContact CG1-CE3 3.93Å; V61-W71 HydrophobicContact CG2-CE3 4.32Å; V61-L74 HydrophobicContact CG2-CB 4.3Å; V61-L74 HydrophobicContact CG2-CD2 3.75Å |
| 62 | I | 92.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.2 | 172.3 | -73.4 | -173.7 | 0 | 0 | 0 | 109.1 | L68 I100 L102 | I62-L68 HydrophobicContact CD1-CD1 4.32Å; I62-L68 HydrophobicContact CG1-CB 4.21Å; I62-L68 HydrophobicContact CG1-CD1 4.15Å; I62-L68 HydrophobicContact CG1-CG 4.2Å; I62-I100 PolarHBondContact N-O 3Å; I62-I100 PolarHBondContact O-N 3.37Å; I62-L102 HydrophobicContact CD1-CD1 3.25Å; I62-L102 HydrophobicContact CD1-CD2 4.17Å; I62-L102 HydrophobicContact CD1-CG 3.82Å; I62-L102 HydrophobicContact CG1-CD1 3.63Å; I62-L102 HydrophobicContact CG1-CG 3.9Å |
| 63 | S | 92.1 | Very high | 91 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 156.8 | 167.5 | 57 | 0 | 0 | 0 | 0 | 111.5 | C65 G66 H67 | S63-C65 PolarHBondContact O-N 3.47Å; S63-C65 PolarHBondContact OG-SG 3.39Å; S63-G66 PolarHBondContact O-N 2.98Å; S63-H67 PolarHBondContact N-O 2.79Å; S63-H67 PolarHBondContact OG-N 3.33Å; S63-H67 VanDerWaalsContact OG-N 3.08Å; S63-H67 PolarHBondContact OG-O 2.96Å |
| 64 | L | 90.1 | Very high | 91.1 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 60% | 0.597 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.4 | 176.7 | -64.5 | -179.9 | 0 | 0 | 0 | 113.8 | G66 K98 I100 | L64-G66 VanDerWaalsContact C-N 3.25Å; L64-G66 PolarHBondContact O-N 3.14Å; L64-K98 HydrophobicContact CD1-CB 3.96Å; L64-K98 HydrophobicContact CD1-CD 4.22Å; L64-K98 HydrophobicContact CG-CB 4.39Å; L64-I100 HydrophobicContact CD2-CD1 4.3Å |
| 65 | C | 91.2 | Very high | 91.2 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.7 | 174.1 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | S63 H67 C90 A92 | S63-C65 PolarHBondContact O-N 3.47Å; S63-C65 PolarHBondContact OG-SG 3.39Å; C65-H67 PolarHBondContact SG-ND1 3.21Å; C65-C90 PolarHBondContact SG-SG 3Å; C65-A92 HydrophobicContact CB-CB 3.72Å |
| 66 | G | 90.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 89.1 | 2.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S63 L64 | S63-G66 PolarHBondContact O-N 2.98Å; L64-G66 VanDerWaalsContact C-N 3.25Å; L64-G66 PolarHBondContact O-N 3.14Å |
| 67 | H | 93 | Very high | 91.6 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | trans | -83.9 | 137 | 177.7 | -62.3 | 92.9 | 0 | 0 | 0 | 111.4 | S63 C65 F69 V89 C90 | S63-H67 PolarHBondContact N-O 2.79Å; S63-H67 PolarHBondContact OG-N 3.33Å; S63-H67 VanDerWaalsContact OG-N 3.08Å; S63-H67 PolarHBondContact OG-O 2.96Å; C65-H67 PolarHBondContact SG-ND1 3.21Å; H67-F69 HydrophobicContact CB-CE1 4.44Å; H67-F69 HydrophobicContact CB-CE2 3.53Å; H67-F69 HydrophobicContact CB-CZ 3.46Å; H67-F69 VanDerWaalsContact CB-CZ 3.46Å; H67-F69 WeakPolarHBondContact O-CE2 3.45Å; H67-V89 HydrophobicContact CB-CG2 4.37Å; H67-V89 VanDerWaalsContact CD2-CB 3.44Å; H67-V89 WeakPolarHBondContact CD2-CB 3.16Å; H67-V89 VanDerWaalsContact CD2-CG1 3.43Å; H67-V89 WeakPolarHBondContact CD2-CG1 3.44Å; H67-V89 VanDerWaalsContact NE2-CG1 3.27Å; H67-V89 WeakPolarHBondContact NE2-CG1 3.25Å; H67-C90 VanDerWaalsContact CE1-CB 3.48Å; H67-C90 WeakPolarHBondContact CE1-CB 3.46Å; H67-C90 PolarHBondContact CE1-SG 2.84Å; H67-C90 PolarHBondContact ND1-SG 3Å | ||
| 68 | L | 92.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 134.3 | -175.8 | -167.9 | 150.7 | 0 | 0 | 0 | 111.2 | F48 E49 N51 A57 A60 V61 I62 L102 | F48-L68 HydrophobicContact CB-CD1 3.93Å; F48-L68 HydrophobicContact CB-CD2 4.14Å; F48-L68 HydrophobicContact CD1-CD1 3.69Å; F48-L68 HydrophobicContact CG-CD1 4.14Å; E49-L68 WeakPolarHBondContact O-CD2 3.44Å; N51-L68 PolarHBondContact N-O 2.81Å; N51-L68 VanDerWaalsContact N-O 3.17Å; N51-L68 PolarHBondContact ND2-O 2.87Å; A57-L68 HydrophobicContact CB-CD2 3.43Å; A57-L68 VanDerWaalsContact CB-CD2 3.43Å; A60-L68 HydrophobicContact CB-CD1 4.46Å; A60-L68 HydrophobicContact CB-CD2 4.15Å; A60-L68 HydrophobicContact CB-CG 4.41Å; V61-L68 WeakPolarHBondContact O-CA 3.47Å; I62-L68 HydrophobicContact CD1-CD1 4.32Å; I62-L68 HydrophobicContact CG1-CB 4.21Å; I62-L68 HydrophobicContact CG1-CD1 4.15Å; I62-L68 HydrophobicContact CG1-CG 4.2Å; L68-L102 HydrophobicContact CD1-CD1 3.89Å |
| 69 | F | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 161.6 | -179.4 | -50.9 | -76.2 | 0 | 0 | 0 | 110.7 | N51 I52 A60 V61 H67 L74 P88 V89 | N51-F69 HydrophobicContact CB-CD1 3.99Å; N51-F69 HydrophobicContact CB-CE1 3.63Å; I52-F69 HydrophobicContact CD1-CB 4.32Å; I52-F69 HydrophobicContact CD1-CD1 3.55Å; I52-F69 HydrophobicContact CD1-CE1 4.12Å; I52-F69 HydrophobicContact CD1-CG 4.13Å; I52-F69 HydrophobicContact CG1-CD1 3.64Å; I52-F69 HydrophobicContact CG1-CE1 3.99Å; A60-F69 WeakPolarHBondContact CA-O 3.46Å; V61-F69 HydrophobicContact CG2-CB 4.31Å; V61-F69 WeakPolarHBondContact CG2-O 3.35Å; V61-F69 PolarHBondContact N-O 2.95Å; V61-F69 PolarHBondContact O-N 3.29Å; H67-F69 HydrophobicContact CB-CE1 4.44Å; H67-F69 HydrophobicContact CB-CE2 3.53Å; H67-F69 HydrophobicContact CB-CZ 3.46Å; H67-F69 VanDerWaalsContact CB-CZ 3.46Å; H67-F69 WeakPolarHBondContact O-CE2 3.45Å; F69-L74 HydrophobicContact CB-CB 4.06Å; F69-L74 HydrophobicContact CD2-CD1 4.1Å; F69-L74 HydrophobicContact CD2-CD2 4.25Å; F69-L74 HydrophobicContact CE2-CD1 4.43Å; F69-P88 HydrophobicContact CE1-CB 4.37Å; F69-P88 HydrophobicContact CE1-CG 3.93Å; F69-P88 HydrophobicContact CZ-CG 4.07Å; F69-V89 HydrophobicContact CE1-CG2 4.06Å; F69-V89 HydrophobicContact CZ-CG2 4.02Å |
| 70 | C | 93.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 140.9 | 160.1 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | C50 R58 P72 C73 L74 | C50-C70 WeakPolarHBondContact CB-SG 3.43Å; C50-C70 PolarHBondContact SG-N 2.88Å; C50-C70 VanDerWaalsContact SG-SG 3.66Å; R58-C70 WeakPolarHBondContact O-CA 3.48Å; R58-C70 WeakPolarHBondContact O-CB 3.47Å; C70-P72 HydrophobicContact CB-CG 4.06Å; C70-C73 HydrophobicContact CB-CB 4.06Å; C70-C73 PolarHBondContact O-N 3.34Å; C70-C73 VanDerWaalsContact O-N 3.16Å; C70-L74 PolarHBondContact O-N 2.77Å |
| 71 | W | 93.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 31% | 0.311 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -49.2 | -51 | 171.5 | 178 | -119.9 | 0 | 0 | 0 | 114.1 | D59 V61 C73 L74 H75 R96 V99 | D59-W71 HydrophobicContact CB-CB 3.99Å; D59-W71 PolarHBondContact O-N 3.23Å; V61-W71 HydrophobicContact CG1-CB 4.07Å; V61-W71 HydrophobicContact CG1-CE3 3.93Å; V61-W71 HydrophobicContact CG2-CE3 4.32Å; W71-C73 VanDerWaalsContact C-N 3.32Å; W71-C73 PolarHBondContact O-N 2.88Å; W71-L74 PolarHBondContact O-N 3.1Å; W71-H75 VanDerWaalsContact O-CB 3.27Å; W71-H75 WeakPolarHBondContact O-CB 3.46Å; W71-H75 PolarHBondContact O-N 2.91Å; W71-R96 HydrophobicContact CH2-CG 3.88Å; W71-V99 HydrophobicContact CE3-CG2 4.36Å; W71-V99 HydrophobicContact CH2-CG2 4.43Å; W71-V99 HydrophobicContact CZ3-CG2 3.66Å |
| 72 | P | 94.1 | Very high | 91.8 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 47% | 0.468 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 179.2 | 23.3 | -35.2 | 0 | 0 | 0 | 113.2 | C70 H75 Q76 | C70-P72 HydrophobicContact CB-CG 4.06Å; P72-H75 PolarHBondContact O-N 3.42Å; P72-Q76 WeakPolarHBondContact O-CB 3.32Å; P72-Q76 PolarHBondContact O-N 2.96Å |
| 73 | C | 94.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | I52 C70 W71 W77 | I52-C73 HydrophobicContact CB-CB 3.9Å; I52-C73 HydrophobicContact CD1-CB 3.71Å; I52-C73 HydrophobicContact CG1-CB 4.42Å; I52-C73 HydrophobicContact CG2-CB 3.91Å; C70-C73 HydrophobicContact CB-CB 4.06Å; C70-C73 PolarHBondContact O-N 3.34Å; C70-C73 VanDerWaalsContact O-N 3.16Å; W71-C73 VanDerWaalsContact C-N 3.32Å; W71-C73 PolarHBondContact O-N 2.88Å; C73-W77 WeakPolarHBondContact O-CB 3.41Å; C73-W77 PolarHBondContact O-N 2.84Å; C73-W77 VanDerWaalsContact O-N 3.15Å |
| 74 | L | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 177.9 | -177 | 61.4 | 0 | 0 | 0 | 111.2 | V61 F69 C70 W71 W77 L78 V99 | V61-L74 HydrophobicContact CG2-CB 4.3Å; V61-L74 HydrophobicContact CG2-CD2 3.75Å; F69-L74 HydrophobicContact CB-CB 4.06Å; F69-L74 HydrophobicContact CD2-CD1 4.1Å; F69-L74 HydrophobicContact CD2-CD2 4.25Å; F69-L74 HydrophobicContact CE2-CD1 4.43Å; C70-L74 PolarHBondContact O-N 2.77Å; W71-L74 PolarHBondContact O-N 3.1Å; L74-W77 WeakPolarHBondContact O-CB 3.21Å; L74-W77 PolarHBondContact O-N 2.95Å; L74-L78 HydrophobicContact CD1-CG 4.43Å; L74-L78 HydrophobicContact CG-CD1 4.27Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.28Å; L74-V99 HydrophobicContact CD2-CG1 3.68Å |
| 75 | H | 93.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 17% | 0.167 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -52.1 | 177.9 | -172.3 | -93.9 | 0 | 0 | 0 | 111.8 | W71 P72 W77 L78 E79 R96 | W71-H75 VanDerWaalsContact O-CB 3.27Å; W71-H75 WeakPolarHBondContact O-CB 3.46Å; W71-H75 PolarHBondContact O-N 2.91Å; P72-H75 PolarHBondContact O-N 3.42Å; H75-W77 PolarHBondContact O-N 2.91Å; H75-L78 PolarHBondContact O-N 3.36Å; H75-L78 VanDerWaalsContact O-N 3.12Å; H75-E79 IonicContact CE1-OE1 3.37Å; H75-E79 PolarHBondContact CE1-OE1 3.1Å; H75-E79 IonicContact CE1-OE2 2.89Å; H75-E79 PolarHBondContact CE1-OE2 2.89Å; H75-E79 VanDerWaalsContact ND1-CD 3.28Å; H75-E79 IonicContact ND1-OE1 3.71Å; H75-E79 PolarHBondContact ND1-OE1 3.43Å; H75-E79 IonicContact ND1-OE2 3.49Å; H75-E79 PolarHBondContact ND1-OE2 3.17Å; H75-E79 VanDerWaalsContact ND1-OE2 3.12Å; H75-E79 IonicContact NE2-OE1 3.78Å; H75-E79 WeakPolarHBondContact O-CG 3.45Å; H75-E79 PolarHBondContact O-N 2.78Å; H75-R96 PolarHBondContact NE2-NH1 3.21Å; H75-R96 PolarHBondContact NE2-NH2 2.82Å |
| 76 | Q | 93.9 | Very high | 91 | Very high | 131 Ų | 131 | 60 Ų | 60 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.7 | -37 | 178.2 | -175.3 | 170.5 | -0.7 | 0 | 0 | 111.9 | P72 E79 T80 | P72-Q76 WeakPolarHBondContact O-CB 3.32Å; P72-Q76 PolarHBondContact O-N 2.96Å; Q76-E79 PolarHBondContact O-N 3.05Å; Q76-T80 WeakPolarHBondContact O-CB 3.26Å; Q76-T80 PolarHBondContact O-N 3.43Å; Q76-T80 PolarHBondContact O-OG1 2.91Å |
| 77 | W | 92.6 | Very high | 91.1 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.9 | 178.3 | -92.4 | 0 | 0 | 0 | 112.5 | C73 L74 H75 E79 T80 R81 Q86 P88 | C73-W77 WeakPolarHBondContact O-CB 3.41Å; C73-W77 PolarHBondContact O-N 2.84Å; C73-W77 VanDerWaalsContact O-N 3.15Å; L74-W77 WeakPolarHBondContact O-CB 3.21Å; L74-W77 PolarHBondContact O-N 2.95Å; H75-W77 PolarHBondContact O-N 2.91Å; W77-E79 VanDerWaalsContact C-N 3.34Å; W77-T80 PolarHBondContact O-N 3.47Å; W77-R81 VanDerWaalsContact CE3-NH2 3.28Å; W77-R81 VanDerWaalsContact CZ2-CZ 3.41Å; W77-R81 PolarHBondContact O-N 2.67Å; W77-Q86 PolarHBondContact NE1-O 3.07Å; W77-P88 HydrophobicContact CD2-CB 4.42Å; W77-P88 HydrophobicContact CD2-CG 3.84Å; W77-P88 HydrophobicContact CE3-CG 4.32Å; W77-P88 HydrophobicContact CG-CG 4.07Å; W77-P88 HydrophobicContact CH2-CB 4.06Å; W77-P88 HydrophobicContact CH2-CG 4.48Å; W77-P88 HydrophobicContact CZ2-CB 3.97Å; W77-P88 HydrophobicContact CZ2-CG 4.09Å; W77-P88 HydrophobicContact CZ3-CB 4.35Å |
| 78 | L | 91.1 | Very high | 91 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -33.8 | -179.8 | -64.4 | 175.6 | 0 | 0 | 0 | 112.2 | L74 H75 R81 Q85 I94 R96 | L74-L78 HydrophobicContact CD1-CG 4.43Å; L74-L78 HydrophobicContact CG-CD1 4.27Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.28Å; H75-L78 PolarHBondContact O-N 3.36Å; H75-L78 VanDerWaalsContact O-N 3.12Å; L78-R81 CarbonylContact O-C 3.38Å; L78-Q85 HydrophobicContact CD2-CB 4.48Å; L78-Q85 PolarHBondContact O-NE2 3.46Å; L78-I94 HydrophobicContact CD1-CG2 4.12Å; L78-I94 HydrophobicContact CD2-CG2 3.91Å; L78-R96 HydrophobicContact CD1-CB 4.25Å |
| 79 | E | 91.5 | Very high | 91 | Very high | 121 Ų | 121 | 59.8 Ų | 59.8 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.3 | -37.8 | 175.4 | -72.3 | -177.8 | 140.4 | 0 | 0 | 112.8 | H75 Q76 W77 R81 | H75-E79 IonicContact CE1-OE1 3.37Å; H75-E79 PolarHBondContact CE1-OE1 3.1Å; H75-E79 IonicContact CE1-OE2 2.89Å; H75-E79 PolarHBondContact CE1-OE2 2.89Å; H75-E79 VanDerWaalsContact ND1-CD 3.28Å; H75-E79 IonicContact ND1-OE1 3.71Å; H75-E79 PolarHBondContact ND1-OE1 3.43Å; H75-E79 IonicContact ND1-OE2 3.49Å; H75-E79 PolarHBondContact ND1-OE2 3.17Å; H75-E79 VanDerWaalsContact ND1-OE2 3.12Å; H75-E79 IonicContact NE2-OE1 3.78Å; H75-E79 WeakPolarHBondContact O-CG 3.45Å; H75-E79 PolarHBondContact O-N 2.78Å; Q76-E79 PolarHBondContact O-N 3.05Å; W77-E79 VanDerWaalsContact C-N 3.34Å; E79-R81 PolarHBondContact O-N 3.05Å |
| 80 | T | 91.3 | Very high | 90.8 | Very high | 94 Ų | 94 | 62.6 Ų | 62.6 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.4 | -26.6 | 179.1 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | Q76 W77 | Q76-T80 WeakPolarHBondContact O-CB 3.26Å; Q76-T80 PolarHBondContact O-N 3.43Å; Q76-T80 PolarHBondContact O-OG1 2.91Å; W77-T80 PolarHBondContact O-N 3.47Å |
| 81 | R | 86.8 | Confident | 90.7 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 33% | 0.328 | 36% | 0.364 | S | S | . | . | trans | -132.7 | 69.9 | -174.9 | -80.9 | 175.5 | -93.4 | -154 | -17.3 | 112.2 | W77 L78 E79 S83 Q84 Q85 | W77-R81 VanDerWaalsContact CE3-NH2 3.28Å; W77-R81 VanDerWaalsContact CZ2-CZ 3.41Å; W77-R81 PolarHBondContact O-N 2.67Å; L78-R81 CarbonylContact O-C 3.38Å; E79-R81 PolarHBondContact O-N 3.05Å; R81-S83 VanDerWaalsContact C-N 3.27Å; R81-S83 PolarHBondContact O-N 3.1Å; R81-Q84 HydrophobicContact CB-CB 4.36Å; R81-Q84 CarbonylContact O-C 3.32Å; R81-Q84 VanDerWaalsContact O-C 3.32Å; R81-Q84 PolarHBondContact O-N 2.59Å; R81-Q84 VanDerWaalsContact O-N 3.07Å; R81-Q85 PolarHBondContact O-NE2 2.92Å | ||
| 82 | P | 83.9 | Confident | 90.5 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -32.7 | -178.4 | 25.9 | -33.8 | 0 | 0 | 0 | 112.6 | Q84 Q85 | P82-Q84 VanDerWaalsContact C-N 3.3Å; P82-Q84 PolarHBondContact O-N 2.98Å; P82-Q85 PolarHBondContact O-NE2 2.8Å |
| 83 | S | 84.1 | Confident | 90.3 | Very high | 110 Ų | 110 | 67.4 Ų | 67.4 | 77% | 0.769 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.8 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | R81 | R81-S83 VanDerWaalsContact C-N 3.27Å; R81-S83 PolarHBondContact O-N 3.1Å |
| 84 | Q | 82.9 | Confident | 90.1 | Very high | 97 Ų | 97 | 66.7 Ų | 66.7 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | trans | -131.8 | 76.6 | -176.5 | -64.1 | -179.4 | 25.1 | 0 | 0 | 109.7 | R81 P82 Q86 | R81-Q84 HydrophobicContact CB-CB 4.36Å; R81-Q84 CarbonylContact O-C 3.32Å; R81-Q84 VanDerWaalsContact O-C 3.32Å; R81-Q84 PolarHBondContact O-N 2.59Å; R81-Q84 VanDerWaalsContact O-N 3.07Å; P82-Q84 VanDerWaalsContact C-N 3.3Å; P82-Q84 PolarHBondContact O-N 2.98Å; Q84-Q86 HydrophobicContact CB-CG 4.15Å; Q84-Q86 PolarHBondContact O-N 3.08Å | ||
| 85 | Q | 88.7 | Confident | 89.7 | Confident | 61 Ų | 61 | 68 Ų | 68 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | trans | -78.4 | 74.1 | 175.8 | -58.3 | -68.4 | -70.3 | 0 | 0 | 109.7 | L78 R81 P82 G93 I94 | L78-Q85 HydrophobicContact CD2-CB 4.48Å; L78-Q85 PolarHBondContact O-NE2 3.46Å; R81-Q85 PolarHBondContact O-NE2 2.92Å; P82-Q85 PolarHBondContact O-NE2 2.8Å; Q85-G93 WeakPolarHBondContact O-CA 3.36Å; Q85-I94 WeakPolarHBondContact CB-O 3.41Å; Q85-I94 PolarHBondContact O-N 3.03Å; Q85-I94 VanDerWaalsContact O-O 3.09Å | ||
| 86 | Q | 92.3 | Very high | 89.3 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -130.3 | 147.7 | -172.6 | 59.9 | -178.8 | 0.9 | 0 | 0 | 111.9 | W77 Q84 A92 | W77-Q86 PolarHBondContact NE1-O 3.07Å; Q84-Q86 HydrophobicContact CB-CG 4.15Å; Q84-Q86 PolarHBondContact O-N 3.08Å; Q86-A92 CarbonylContact C-O 3.54Å; Q86-A92 WeakPolarHBondContact CA-O 3.43Å |
| 87 | C | 92.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | trans | -60.4 | 130.9 | 177 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | V89 C90 K91 A92 I94 | C87-V89 PolarHBondContact O-N 3.45Å; C87-V89 PolarHBondContact SG-N 3.17Å; C87-C90 VanDerWaalsContact SG-SG 3.67Å; C87-K91 VanDerWaalsContact O-CA 3.25Å; C87-K91 WeakPolarHBondContact O-CA 3.12Å; C87-K91 PolarHBondContact O-N 3.24Å; C87-A92 HydrophobicContact CB-CB 4.48Å; C87-A92 PolarHBondContact N-O 3.03Å; C87-I94 HydrophobicContact CB-CD1 3.63Å; C87-I94 HydrophobicContact CB-CG1 4.31Å | ||
| 88 | P | 91.1 | Very high | 88.5 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 25% | 0.253 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.4 | 175.7 | -21 | 27.6 | 0 | 0 | 0 | 114 | I52 F69 W77 | I52-P88 HydrophobicContact CD1-CG 4.1Å; I52-P88 HydrophobicContact CG1-CG 4.19Å; F69-P88 HydrophobicContact CE1-CB 4.37Å; F69-P88 HydrophobicContact CE1-CG 3.93Å; F69-P88 HydrophobicContact CZ-CG 4.07Å; W77-P88 HydrophobicContact CD2-CB 4.42Å; W77-P88 HydrophobicContact CD2-CG 3.84Å; W77-P88 HydrophobicContact CE3-CG 4.32Å; W77-P88 HydrophobicContact CG-CG 4.07Å; W77-P88 HydrophobicContact CH2-CB 4.06Å; W77-P88 HydrophobicContact CH2-CG 4.48Å; W77-P88 HydrophobicContact CZ2-CB 3.97Å; W77-P88 HydrophobicContact CZ2-CG 4.09Å; W77-P88 HydrophobicContact CZ3-CB 4.35Å |
| 89 | V | 92.3 | Very high | 88.4 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -56.1 | -173.5 | -173 | 0 | 0 | 0 | 0 | 111.7 | N51 H67 F69 C87 | N51-V89 HydrophobicContact CB-CG2 3.77Å; H67-V89 HydrophobicContact CB-CG2 4.37Å; H67-V89 VanDerWaalsContact CD2-CB 3.44Å; H67-V89 WeakPolarHBondContact CD2-CB 3.16Å; H67-V89 VanDerWaalsContact CD2-CG1 3.43Å; H67-V89 WeakPolarHBondContact CD2-CG1 3.44Å; H67-V89 VanDerWaalsContact NE2-CG1 3.27Å; H67-V89 WeakPolarHBondContact NE2-CG1 3.25Å; F69-V89 HydrophobicContact CE1-CG2 4.06Å; F69-V89 HydrophobicContact CZ-CG2 4.02Å; C87-V89 PolarHBondContact O-N 3.45Å; C87-V89 PolarHBondContact SG-N 3.17Å |
| 90 | C | 90.7 | Very high | 88.3 | Confident | 59 Ų | 59 | 76.1 Ų | 76.1 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 1.2 | -172.5 | 67.8 | 0 | 0 | 0 | 0 | 115 | C65 H67 C87 A92 | C65-C90 PolarHBondContact SG-SG 3Å; H67-C90 VanDerWaalsContact CE1-CB 3.48Å; H67-C90 WeakPolarHBondContact CE1-CB 3.46Å; H67-C90 PolarHBondContact CE1-SG 2.84Å; H67-C90 PolarHBondContact ND1-SG 3Å; C87-C90 VanDerWaalsContact SG-SG 3.67Å; C90-A92 PolarHBondContact O-N 2.96Å; C90-A92 VanDerWaalsContact SG-CB 3.55Å |
| 91 | K | 91.5 | Very high | 88.2 | Confident | 158 Ų | 158 | 74.5 Ų | 74.5 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | trans | 60.4 | 12.6 | -178.5 | -50.7 | 173 | -176.7 | 177.4 | 0 | 115.2 | C87 | C87-K91 VanDerWaalsContact O-CA 3.25Å; C87-K91 WeakPolarHBondContact O-CA 3.12Å; C87-K91 PolarHBondContact O-N 3.24Å | ||
| 92 | A | 88.6 | Confident | 88.2 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | trans | -63.4 | 145.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | C65 Q86 C87 C90 I94 | C65-A92 HydrophobicContact CB-CB 3.72Å; Q86-A92 CarbonylContact C-O 3.54Å; Q86-A92 WeakPolarHBondContact CA-O 3.43Å; C87-A92 HydrophobicContact CB-CB 4.48Å; C87-A92 PolarHBondContact N-O 3.03Å; C90-A92 PolarHBondContact O-N 2.96Å; C90-A92 VanDerWaalsContact SG-CB 3.55Å; A92-I94 PolarHBondContact O-N 2.81Å | ||
| 93 | G | 88.9 | Confident | 87.9 | Confident | 69 Ų | 69 | 78.5 Ų | 78.5 | 71% | 0.711 | 41% | 0.414 | S | S | * | . | B | Isolated β-bridge | trans | -58.9 | 126.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q85 | Q85-G93 WeakPolarHBondContact O-CA 3.36Å |
| 94 | I | 90.4 | Very high | 87.1 | Confident | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.056 | 40% | 0.401 | C | S | . | . | trans | -120 | 149.2 | 175.5 | -82.5 | 177.4 | 0 | 0 | 0 | 107.5 | L78 Q85 C87 A92 | L78-I94 HydrophobicContact CD1-CG2 4.12Å; L78-I94 HydrophobicContact CD2-CG2 3.91Å; Q85-I94 WeakPolarHBondContact CB-O 3.41Å; Q85-I94 PolarHBondContact O-N 3.03Å; Q85-I94 VanDerWaalsContact O-O 3.09Å; C87-I94 HydrophobicContact CB-CD1 3.63Å; C87-I94 HydrophobicContact CB-CG1 4.31Å; A92-I94 PolarHBondContact O-N 2.81Å | ||
| 95 | S | 86.3 | Confident | 86.2 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 19% | 0.189 | 43% | 0.426 | C | S | . | . | trans | -130 | 155.5 | 163.2 | 85.8 | 0 | 0 | 0 | 0 | 109.4 | E97 K98 | S95-E97 VanDerWaalsContact CB-OE2 3.32Å; S95-E97 WeakPolarHBondContact CB-OE2 3.41Å; S95-E97 PolarHBondContact O-N 3.38Å; S95-E97 PolarHBondContact OG-OE2 3.2Å; S95-K98 PolarHBondContact O-N 2.86Å; S95-K98 VanDerWaalsContact O-N 3.1Å; S95-K98 WeakPolarHBondContact OG-CB 3.33Å; S95-K98 WeakPolarHBondContact OG-CD 3.48Å; S95-K98 WeakPolarHBondContact OG-CG 3.45Å; S95-K98 PolarHBondContact OG-N 3.48Å | ||
| 96 | R | 85.1 | Confident | 84.7 | Confident | 127 Ų | 127 | 82.7 Ų | 82.7 | 48% | 0.479 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.5 | -175.9 | -178.4 | 179.9 | 174.8 | 174.9 | 1.9 | 112.7 | W71 H75 L78 | W71-R96 HydrophobicContact CH2-CG 3.88Å; H75-R96 PolarHBondContact NE2-NH1 3.21Å; H75-R96 PolarHBondContact NE2-NH2 2.82Å; L78-R96 HydrophobicContact CD1-CB 4.25Å |
| 97 | E | 83.7 | Confident | 83 | Confident | 151 Ų | 151 | 84.7 Ų | 84.7 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -18.8 | -179.1 | -46.2 | 70.1 | -149 | 0 | 0 | 111.7 | S95 | S95-E97 VanDerWaalsContact CB-OE2 3.32Å; S95-E97 WeakPolarHBondContact CB-OE2 3.41Å; S95-E97 PolarHBondContact O-N 3.38Å; S95-E97 PolarHBondContact OG-OE2 3.2Å |
| 98 | K | 84.7 | Confident | 81.2 | Confident | 130 Ų | 130 | 89.7 Ų | 89.7 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -102.7 | 42.9 | -177 | -67.2 | 178.3 | -174.4 | 177.5 | 0 | 111.6 | L64 S95 | L64-K98 HydrophobicContact CD1-CB 3.96Å; L64-K98 HydrophobicContact CD1-CD 4.22Å; L64-K98 HydrophobicContact CG-CB 4.39Å; S95-K98 PolarHBondContact O-N 2.86Å; S95-K98 VanDerWaalsContact O-N 3.1Å; S95-K98 WeakPolarHBondContact OG-CB 3.33Å; S95-K98 WeakPolarHBondContact OG-CD 3.48Å; S95-K98 WeakPolarHBondContact OG-CG 3.45Å; S95-K98 PolarHBondContact OG-N 3.48Å |
| 99 | V | 89.4 | Confident | 79.5 | Confident | 24 Ų | 24 | 94.1 Ų | 94.1 | 15% | 0.145 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145.2 | 170.7 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | W71 L74 | W71-V99 HydrophobicContact CE3-CG2 4.36Å; W71-V99 HydrophobicContact CH2-CG2 4.43Å; W71-V99 HydrophobicContact CZ3-CG2 3.66Å; L74-V99 HydrophobicContact CD2-CG1 3.68Å |
| 100 | I | 90.2 | Very high | 77.8 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 110.6 | -179.1 | -58 | 170.9 | 0 | 0 | 0 | 107.1 | I62 L64 | I62-I100 PolarHBondContact N-O 3Å; I62-I100 PolarHBondContact O-N 3.37Å; L64-I100 HydrophobicContact CD2-CD1 4.3Å |
| 101 | P | 89.4 | Confident | 76.2 | Confident | 60 Ų | 60 | 104.7 Ų | 104.7 | 39% | 0.39 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.5 | 136.4 | 174.5 | 28.3 | -32.9 | 0 | 0 | 0 | 110.3 | Y103 | P101-Y103 HydrophobicContact CB-CE2 3.96Å; P101-Y103 HydrophobicContact CG-CE2 3.85Å |
| 102 | L | 85.8 | Confident | 74.6 | Confident | 62 Ų | 62 | 101.5 Ų | 101.5 | 33% | 0.325 | 55% | 0.552 | S | S | . | * | trans | -102 | 112 | 175.2 | -76.1 | -168.6 | 0 | 0 | 0 | 110.9 | A60 I62 L68 G104 | A60-L102 HydrophobicContact CB-CB 4.25Å; A60-L102 PolarHBondContact O-N 3.28Å; I62-L102 HydrophobicContact CD1-CD1 3.25Å; I62-L102 HydrophobicContact CD1-CD2 4.17Å; I62-L102 HydrophobicContact CD1-CG 3.82Å; I62-L102 HydrophobicContact CG1-CD1 3.63Å; I62-L102 HydrophobicContact CG1-CG 3.9Å; L68-L102 HydrophobicContact CD1-CD1 3.89Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.32Å | ||
| 103 | Y | 78.1 | Confident | 73.2 | Confident | 209 Ų | 209 | 103.4 Ų | 103.4 | 82% | 0.82 | 56% | 0.561 | S | S | * | * | trans | -95.2 | 64.9 | 168.5 | -51.4 | -73.6 | 0 | 0 | 0 | 109.3 | P101 | P101-Y103 HydrophobicContact CB-CE2 3.96Å; P101-Y103 HydrophobicContact CG-CE2 3.85Å | ||
| 104 | G | 66.2 | Low | 71.8 | Confident | 48 Ų | 48 | 110.2 Ų | 110.2 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | trans | -86 | 128.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L102 G106 | L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.32Å; G104-G106 PolarHBondContact O-N 3.45Å | ||
| 105 | R | 64.9 | Low | 70.3 | Confident | 261 Ų | 261 | 117.6 Ų | 117.6 | 99% | 0.985 | 60% | 0.604 | S | S | * | * | trans | -70.3 | 67.8 | 169.7 | -66.2 | 171.4 | 92.1 | 112.8 | -4.3 | 110.4 | ||||
| 106 | G | 57.9 | Low | 68.9 | Low | 47 Ų | 47 | 125.7 Ų | 125.7 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | trans | -105.8 | 95.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G104 | G104-G106 PolarHBondContact O-N 3.45Š| ||
| 107 | S | 56.3 | Low | 68 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -173.5 | -7.9 | 145.3 | 48.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 108 | S | 54.7 | Low | 67.1 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -147.6 | 122.2 | 177.6 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 109 | S | 54.3 | Low | 66.1 | Low | 132 Ų | 132 | 122 Ų | 122 | 92% | 0.923 | 65% | 0.654 | S | S | * | * | trans | 68.5 | 88.3 | 167.8 | -136.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 110 | Q | 56.2 | Low | 64.7 | Low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | trans | -95.5 | 114.7 | 160.4 | -175.6 | -178.7 | 56.9 | 0 | 0 | 107.3 | ||||
| 111 | E | 57.6 | Low | 63.7 | Low | 184 Ų | 184 | 132.4 Ų | 132.4 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | trans | -85.1 | 133.1 | 154.6 | -159.6 | 161.9 | -158.1 | 0 | 0 | 107 | P113 | E111-P113 WeakPolarHBondContact O-CD 3.19Š| ||
| 112 | D | 57.4 | Low | 62.3 | Low | 90 Ų | 90 | 135.1 Ų | 135.1 | 48% | 0.481 | 72% | 0.715 | S | S | . | * | trans | -73 | 111.6 | -159.8 | -171.4 | -1.9 | 0 | 0 | 0 | 113.3 | R114 | D112-R114 PolarHBondContact O-N 2.91Å; D112-R114 WeakPolarHBondContact OD1-CB 2.95Å; D112-R114 WeakPolarHBondContact OD1-CD 3.43Å; D112-R114 WeakPolarHBondContact OD1-CG 3.27Å; D112-R114 PolarHBondContact OD1-N 3.01Å; D112-R114 WeakPolarHBondContact OD2-CD 3.08Å | ||
| 113 | P | 60.1 | Low | 61 | Low | 76 Ų | 76 | 135.9 Ų | 135.9 | 49% | 0.494 | 74% | 0.738 | S | S | . | * | G | 310 helix | trans | -76.5 | 3.6 | 175.8 | -10.7 | 28.8 | 0 | 0 | 0 | 113.8 | E111 L115 K116 T117 | E111-P113 WeakPolarHBondContact O-CD 3.19Å; P113-L115 PolarHBondContact O-N 3.07Å; P113-K116 PolarHBondContact O-N 3.09Å; P113-K116 VanDerWaalsContact O-N 3.09Å; P113-T117 PolarHBondContact O-OG1 3.49Å |
| 114 | R | 59.3 | Low | 59.7 | Low | 211 Ų | 211 | 134.5 Ų | 134.5 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -63.5 | -4.7 | 178.8 | -69.9 | 168.7 | 77.7 | 113.7 | 4.4 | 114.3 | D112 | D112-R114 PolarHBondContact O-N 2.91Å; D112-R114 WeakPolarHBondContact OD1-CB 2.95Å; D112-R114 WeakPolarHBondContact OD1-CD 3.43Å; D112-R114 WeakPolarHBondContact OD1-CG 3.27Å; D112-R114 PolarHBondContact OD1-N 3.01Å; D112-R114 WeakPolarHBondContact OD2-CD 3.08Å |
| 115 | L | 58.7 | Low | 59.1 | Low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -85.5 | -1.6 | 171 | -70.8 | 173 | 0 | 0 | 0 | 114.7 | P113 | P113-L115 PolarHBondContact O-N 3.07Š|
| 116 | K | 57.8 | Low | 58.9 | Low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | -6.7 | -179.3 | -113.3 | 113.7 | -177.2 | -175.7 | 0 | 117.3 | P113 | P113-K116 PolarHBondContact O-N 3.09Å; P113-K116 VanDerWaalsContact O-N 3.09Å |
| 117 | T | 64.4 | Low | 59.3 | Low | 105 Ų | 105 | 141.6 Ų | 141.6 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 123.9 | -176.4 | -39.4 | 0 | 0 | 0 | 0 | 110.7 | P113 | P113-T117 PolarHBondContact O-OG1 3.49Š|
| 118 | P | 65.2 | Low | 59.1 | Low | 102 Ų | 102 | 142.1 Ų | 142.1 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 154 | 175.8 | 25.1 | -33.6 | 0 | 0 | 0 | 110.8 | R120 | P118-R120 PolarHBondContact O-N 3.28Š|
| 119 | P | 63.6 | Low | 59.3 | Low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 131.8 | -177.2 | 21.2 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 120 | R | 60.5 | Low | 59.5 | Low | 233 Ų | 233 | 142.6 Ų | 142.6 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 124.5 | 179.4 | 169.7 | 179.9 | -84.9 | 162.6 | -6.3 | 108.3 | P118 | P118-R120 PolarHBondContact O-N 3.28Š|
| 121 | P | 69.3 | Low | 59.4 | Low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136.2 | 177.3 | 21.4 | -30.7 | 0 | 0 | 0 | 108.9 | G123 | P121-G123 PolarHBondContact O-N 3.32Š|
| 122 | P | 61.2 | Low | 59.2 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 134.9 | 177.7 | 23.6 | -32.6 | 0 | 0 | 0 | 108.6 | Q124 | P122-Q124 PolarHBondContact O-N 3.12Š|
| 123 | G | 57.7 | Low | 59 | Low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -60.2 | 106.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P121 R125 | P121-G123 PolarHBondContact O-N 3.32Å; G123-R125 PolarHBondContact O-N 3.27Å | ||
| 124 | Q | 49.6 | Very low | 58.3 | Low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -74.3 | 89.3 | 174.5 | -167.2 | 142.1 | -30 | 0 | 0 | 107.2 | P122 T126 | P122-Q124 PolarHBondContact O-N 3.12Å; Q124-T126 VanDerWaalsContact C-N 3.33Å; Q124-T126 PolarHBondContact O-N 2.89Å | ||
| 125 | R | 55.3 | Low | 58.2 | Low | 225 Ų | 225 | 144.6 Ų | 144.6 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | trans | -63.8 | 102.4 | 163.3 | -176.1 | 178.2 | -171.3 | 142.6 | 0.4 | 105.1 | G123 E127 | G123-R125 PolarHBondContact O-N 3.27Å; R125-E127 PolarHBondContact O-N 2.89Å | ||
| 126 | T | 59.1 | Low | 57.5 | Low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | -56.4 | 109 | 167.6 | -45.1 | 0 | 0 | 0 | 0 | 105.6 | Q124 | Q124-T126 VanDerWaalsContact C-N 3.33Å; Q124-T126 PolarHBondContact O-N 2.89Å | ||
| 127 | E | 66.8 | Low | 56.5 | Low | 155 Ų | 155 | 140.5 Ų | 140.5 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -56 | 135.4 | 172.9 | -159.1 | 175.7 | 179.1 | 0 | 0 | 106.4 | R125 E129 | R125-E127 PolarHBondContact O-N 2.89Å; E127-E129 PolarHBondContact O-N 2.91Å | ||
| 128 | P | 52.6 | Low | 55.3 | Low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | trans | -50.7 | 120.7 | 171.7 | 19.6 | -30.2 | 0 | 0 | 0 | 107.7 | S130 | P128-S130 PolarHBondContact O-N 3Š| ||
| 129 | E | 58.7 | Low | 54.5 | Low | 144 Ų | 144 | 141.2 Ų | 141.2 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | -48.9 | 106.3 | -172.3 | -173.6 | 151.6 | 105.1 | 0 | 0 | 110.3 | E127 R131 | E127-E129 PolarHBondContact O-N 2.91Å; E129-R131 HydrophobicContact CG-CG 4.04Å; E129-R131 PolarHBondContact O-N 3.37Å; E129-R131 IonicContact OE1-CZ 3.41Å; E129-R131 IonicContact OE1-NE 3.78Å; E129-R131 IonicContact OE1-NH2 3.12Å; E129-R131 PolarHBondContact OE1-NH2 2.83Å | ||
| 130 | S | 59.1 | Low | 53.7 | Low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -68.9 | 84.5 | 169.5 | 174.6 | 0 | 0 | 0 | 0 | 107.3 | P128 G132 | P128-S130 PolarHBondContact O-N 3Å; S130-G132 PolarHBondContact O-N 3Å | ||
| 131 | R | 52.5 | Low | 53.4 | Low | 218 Ų | 218 | 134 Ų | 134 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | trans | -67.3 | 94.8 | 166.7 | -72.2 | -171.3 | 165 | 119.2 | 7.4 | 108.8 | E129 | E129-R131 HydrophobicContact CG-CG 4.04Å; E129-R131 PolarHBondContact O-N 3.37Å; E129-R131 IonicContact OE1-CZ 3.41Å; E129-R131 IonicContact OE1-NE 3.78Å; E129-R131 IonicContact OE1-NH2 3.12Å; E129-R131 PolarHBondContact OE1-NH2 2.83Å | ||
| 132 | G | 54.6 | Low | 52.3 | Low | 56 Ų | 56 | 138 Ų | 138 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 159.6 | 146.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S130 | S130-G132 PolarHBondContact O-N 3Š|
| 133 | P | 53.8 | Low | 51.9 | Low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -94.4 | 139.7 | -148.1 | 36.3 | -31.1 | 0 | 0 | 0 | 113.2 | ||||
| 134 | F | 45.4 | Very low | 51.7 | Low | 206 Ų | 206 | 142.6 Ų | 142.6 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | -122.1 | 84 | 160.1 | -143 | -94.9 | 0 | 0 | 0 | 109 | G136 | F134-G136 PolarHBondContact O-N 2.92Š| ||
| 135 | Q | 57.3 | Low | 52.2 | Low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -66.9 | 106.2 | 157.2 | -74.2 | -166.5 | -39 | 0 | 0 | 107.1 | F137 | Q135-F137 PolarHBondContact O-N 3.4Š| ||
| 136 | G | 42.3 | Very low | 52.2 | Low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | trans | -57.1 | 121.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F134 | F134-G136 PolarHBondContact O-N 2.92Š| ||
| 137 | F | 37.3 | Very low | 52.2 | Low | 214 Ų | 214 | 132.9 Ų | 132.9 | 94% | 0.939 | 74% | 0.737 | S | S | * | * | trans | -71.2 | 135.4 | 164.3 | -103.8 | -100.8 | 0 | 0 | 0 | 109.7 | Q135 | Q135-F137 PolarHBondContact O-N 3.4Š| ||
| 138 | G | 38.8 | Very low | 51.8 | Low | 58 Ų | 58 | 134.1 Ų | 134.1 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | trans | 97.7 | 99.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | N140 | G138-N140 PolarHBondContact O-N 3Š| ||
| 139 | D | 49.2 | Very low | 52.3 | Low | 163 Ų | 163 | 131.2 Ų | 131.2 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -68.4 | 51.6 | 162.2 | -153.1 | -9.5 | 0 | 0 | 0 | 111.3 | ||
| 140 | N | 46.5 | Very low | 52.4 | Low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -160.4 | 113.3 | 175.4 | -33.9 | 73.2 | 0 | 0 | 0 | 110.3 | G138 | G138-N140 PolarHBondContact O-N 3Š|
| 141 | G | 54.2 | Low | 51.8 | Low | 63 Ų | 63 | 132.6 Ų | 132.6 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 17.5 | 137.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||
| 142 | F | 45.9 | Very low | 52.1 | Low | 187 Ų | 187 | 127.2 Ų | 127.2 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | trans | 91.7 | 87 | 165.6 | -48.1 | -71.3 | 0 | 0 | 0 | 115.9 | M144 | F142-M144 HydrophobicContact CB-CE 4.25Å; F142-M144 PolarHBondContact O-N 2.88Å | ||
| 143 | H | 53.9 | Low | 52.2 | Low | 162 Ų | 162 | 132.6 Ų | 132.6 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | trans | -61.3 | 126.4 | 157.9 | 78.4 | -76.8 | 0 | 0 | 0 | 108.8 | ||||
| 144 | M | 53.2 | Low | 52.4 | Low | 130 Ų | 130 | 130.5 Ų | 130.5 | 64% | 0.64 | 74% | 0.743 | S | S | * | * | trans | -125.3 | 78.8 | 169.9 | -67.5 | -64.8 | -178.3 | 0 | 0 | 106.5 | F142 F146 | F142-M144 HydrophobicContact CB-CE 4.25Å; F142-M144 PolarHBondContact O-N 2.88Å; M144-F146 HydrophobicContact CB-CD2 3.79Å; M144-F146 HydrophobicContact CB-CE2 3.79Å; M144-F146 HydrophobicContact CG-CE2 4.26Å; M144-F146 PolarHBondContact O-N 2.82Å; M144-F146 HydrophobicContact SD-CE2 3.94Å | ||
| 145 | S | 59.4 | Low | 52.8 | Low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -70.3 | 77.3 | 172.8 | -59 | 0 | 0 | 0 | 0 | 109.5 | G147 | S145-G147 PolarHBondContact O-N 3.37Š| ||
| 146 | F | 55.2 | Low | 52.5 | Low | 156 Ų | 156 | 128.5 Ų | 128.5 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | trans | -90.8 | 54.3 | 165.9 | -69.8 | -81.3 | 0 | 0 | 0 | 110.1 | M144 I148 G149 | M144-F146 HydrophobicContact CB-CD2 3.79Å; M144-F146 HydrophobicContact CB-CE2 3.79Å; M144-F146 HydrophobicContact CG-CE2 4.26Å; M144-F146 PolarHBondContact O-N 2.82Å; M144-F146 HydrophobicContact SD-CE2 3.94Å; F146-I148 PolarHBondContact O-N 2.94Å; F146-G149 WeakPolarHBondContact CD1-O 3.2Å | ||
| 147 | G | 60.2 | Low | 52.7 | Low | 64 Ų | 64 | 132.2 Ų | 132.2 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -79.9 | 104.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S145 | S145-G147 PolarHBondContact O-N 3.37Š|
| 148 | I | 58.7 | Low | 53.5 | Low | 181 Ų | 181 | 128.6 Ų | 128.6 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 71.9 | 73.8 | 175.1 | -41.5 | 166.5 | 0 | 0 | 0 | 113.4 | F146 | F146-I148 PolarHBondContact O-N 2.94Š|
| 149 | G | 61.4 | Low | 54.5 | Low | 44 Ų | 44 | 130.3 Ų | 130.3 | 45% | 0.454 | 74% | 0.736 | S | S | . | * | trans | 170.5 | 106.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F146 | F146-G149 WeakPolarHBondContact CD1-O 3.2Š| ||
| 150 | A | 62 | Low | 54.8 | Low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | 74.6 | 94.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 151 | F | 47.2 | Very low | 54.7 | Low | 186 Ų | 186 | 131.8 Ų | 131.8 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | -164.7 | 135.9 | 128.1 | -120.4 | -93.1 | 0 | 0 | 0 | 109.6 | F153 | F151-F153 PolarHBondContact O-N 2.9Š| |||
| 152 | P | 57.1 | Low | 54.9 | Low | 104 Ų | 104 | 134.7 Ų | 134.7 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 11.6 | -162.7 | 30.1 | -36 | 0 | 0 | 0 | 116.5 | ||
| 153 | F | 58.3 | Low | 54.8 | Low | 170 Ų | 170 | 131.8 Ų | 131.8 | 75% | 0.746 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | 39.4 | -178.9 | -55.4 | -71.4 | 0 | 0 | 0 | 113.4 | F151 F155 | F151-F153 PolarHBondContact O-N 2.9Å; F153-F155 PolarHBondContact O-N 3.47Å |
| 154 | G | 57.6 | Low | 54.6 | Low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -67.3 | 55.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 155 | F | 53.1 | Low | 54.5 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -123.2 | 2.2 | -176.7 | -81.4 | -78.3 | 0 | 0 | 0 | 115.7 | F153 | F153-F155 PolarHBondContact O-N 3.47Š|
| 156 | F | 50.2 | Low | 53.7 | Low | 170 Ų | 170 | 134.6 Ų | 134.6 | 75% | 0.746 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -134.1 | 4.2 | -174.2 | -71.7 | -75.5 | 0 | 0 | 0 | 118.4 | T158 | F156-T158 VanDerWaalsContact C-N 3.31Å; F156-T158 PolarHBondContact O-N 3.22Å |
| 157 | T | 48.1 | Very low | 53.6 | Low | 143 Ų | 143 | 136 Ų | 136 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 5.6 | -175.2 | 61.5 | 0 | 0 | 0 | 0 | 115.4 | V159 | T157-V159 PolarHBondContact O-N 2.96Š|
| 158 | T | 54.3 | Low | 52.8 | Low | 137 Ų | 137 | 143.4 Ų | 143.4 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 2.3 | -179.4 | -17.1 | 0 | 0 | 0 | 0 | 114.8 | F156 | F156-T158 VanDerWaalsContact C-N 3.31Å; F156-T158 PolarHBondContact O-N 3.22Å |
| 159 | V | 59.5 | Low | 51.8 | Low | 94 Ų | 94 | 138.9 Ų | 138.9 | 57% | 0.57 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -133.1 | 6.7 | -163.6 | -124 | 0 | 0 | 0 | 0 | 119.2 | T157 | T157-V159 PolarHBondContact O-N 2.96Š|
| 160 | F | 53.9 | Low | 50.9 | Low | 179 Ų | 179 | 143.5 Ų | 143.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -139.8 | 59.2 | -179.6 | -62.1 | -74.2 | 0 | 0 | 0 | 114.8 | ||||
| 161 | N | 45.9 | Very low | 49.9 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -106 | 63.1 | 152.1 | -153.5 | -56.7 | 0 | 0 | 0 | 109.2 | ||||
| 162 | T | 57.8 | Low | 50 | Low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -99.3 | 76.3 | 173.5 | -45.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 163 | N | 44.3 | Very low | 49.1 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | -157.4 | 76.8 | 168.2 | -167.5 | 43.1 | 0 | 0 | 0 | 112.2 | ||||
| 164 | D | 49.8 | Very low | 48.3 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -129.4 | 106.8 | 161 | -119.1 | -48.6 | 0 | 0 | 0 | 108.9 | ||||
| 165 | P | 50.4 | Low | 47.2 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 58% | 0.578 | 77% | 0.766 | S | S | * | * | trans | -102.8 | 68 | 178 | 37.7 | -30.7 | 0 | 0 | 0 | 111.4 | ||||
| 166 | Y | 42 | Very low | 47.1 | Very low | 222 Ų | 222 | 143.3 Ų | 143.3 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | trans | -149.2 | 76.4 | 160.5 | -77 | -71.5 | 0 | 0 | 0 | 111.9 | ||||
| 167 | H | 53.3 | Low | 46.6 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -77.6 | 123.3 | 148 | -79.9 | -71.7 | 0 | 0 | 0 | 108.8 | ||||
| 168 | R | 44.3 | Very low | 46.1 | Very low | 219 Ų | 219 | 141 Ų | 141 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | 150.7 | 113.9 | 123 | -89.2 | -175.2 | 123.3 | 80.4 | -0.8 | 112.8 | |||||
| 169 | A | 36.8 | Very low | 45.9 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 156 | 126.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 170 | D | 42.5 | Very low | 45.6 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | cis | -164.8 | 123.7 | -2.2 | -89.6 | -47.8 | 0 | 0 | 0 | 103 | ||||
| 171 | A | 42.4 | Very low | 46.1 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -162.6 | 77.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | A173 | A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 2.72Å; A171-A173 VanDerWaalsContact O-N 3.12Å | ||
| 172 | Y | 48.3 | Very low | 46.8 | Very low | 207 Ų | 207 | 133.1 Ų | 133.1 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -67.4 | 95.8 | 153 | -65.1 | -91 | 0 | 0 | 0 | 107.4 | ||||
| 173 | A | 38.7 | Very low | 47.2 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | trans | -163.1 | 124.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A171 | A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 2.72Å; A171-A173 VanDerWaalsContact O-N 3.12Å | ||
| 174 | A | 40.2 | Very low | 48.5 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | trans | 65.1 | 97.5 | 156 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 175 | D | 36.1 | Very low | 49.5 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | 63.2 | 105.7 | 72.3 | -160.5 | 62.4 | 0 | 0 | 0 | 112.8 | |||||
| 176 | H | 50.2 | Low | 50.7 | Low | 164 Ų | 164 | 130.1 Ų | 130.1 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | trans | 42.5 | 126.7 | 146.9 | -76 | -95.8 | 0 | 0 | 0 | 120.6 | ||||
| 177 | Q | 40.4 | Very low | 52.8 | Low | 195 Ų | 195 | 124.2 Ų | 124.2 | 91% | 0.911 | 69% | 0.685 | S | S | * | * | 149.1 | 126.7 | 106.2 | -170.4 | 162.1 | 1.6 | 0 | 0 | 112 | |||||
| 178 | G | 37.5 | Very low | 54.2 | Low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | 173.9 | 47.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | G180 | G178-G180 PolarHBondContact O-N 3.01Š| ||
| 179 | N | 50.6 | Low | 56.2 | Low | 161 Ų | 161 | 117.8 Ų | 117.8 | 86% | 0.861 | 67% | 0.666 | S | S | * | * | trans | 27.3 | 83.7 | 140.7 | -170.2 | 44.4 | 0 | 0 | 0 | 117.6 | ||||
| 180 | G | 53.2 | Low | 58.7 | Low | 47 Ų | 47 | 119.9 Ų | 119.9 | 49% | 0.485 | 66% | 0.659 | S | S | . | * | trans | -142.3 | 92.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G178 N182 | G178-G180 PolarHBondContact O-N 3.01Å; G180-N182 PolarHBondContact O-N 3.49Å | ||
| 181 | N | 63 | Low | 61.1 | Low | 78 Ų | 78 | 118 Ų | 118 | 42% | 0.417 | 65% | 0.653 | S | S | . | * | trans | 44.4 | 61.4 | 160.5 | -51 | -27.7 | 0 | 0 | 0 | 119.4 | W183 Q184 | N181-W183 PolarHBondContact O-N 3.29Å; N181-Q184 HydrophobicContact CB-CB 4.14Å; N181-Q184 HydrophobicContact CB-CG 4.07Å; N181-Q184 VanDerWaalsContact ND2-CD 3.29Å; N181-Q184 PolarHBondContact ND2-NE2 3.17Å; N181-Q184 PolarHBondContact ND2-OE1 2.95Å; N181-Q184 PolarHBondContact O-N 3.19Å | ||
| 182 | N | 61.2 | Low | 63.5 | Low | 118 Ų | 118 | 115 Ų | 115 | 63% | 0.631 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -50.5 | -25.2 | 171.6 | -33.7 | -15.8 | 0 | 0 | 0 | 114 | G180 S186 | G180-N182 PolarHBondContact O-N 3.49Å; N182-S186 WeakPolarHBondContact O-CB 3.4Å; N182-S186 PolarHBondContact O-N 3.37Å; N182-S186 PolarHBondContact O-OG 3.01Å |
| 183 | W | 65.4 | Low | 65.7 | Low | 154 Ų | 154 | 108.7 Ų | 108.7 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -79.2 | -30.8 | -179.9 | 70.2 | -86.2 | 0 | 0 | 0 | 113.1 | N181 L187 | N181-W183 PolarHBondContact O-N 3.29Å; W183-L187 HydrophobicContact CE3-CD1 3.47Å; W183-L187 VanDerWaalsContact CE3-CD1 3.47Å; W183-L187 HydrophobicContact CE3-CG 4.43Å; W183-L187 HydrophobicContact CZ3-CD1 3.67Å; W183-L187 WeakPolarHBondContact O-CB 3.27Å; W183-L187 WeakPolarHBondContact O-CG 3.36Å; W183-L187 PolarHBondContact O-N 3Å |
| 184 | Q | 71.4 | Confident | 68.4 | Low | 79 Ų | 79 | 110.8 Ų | 110.8 | 37% | 0.369 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.6 | -44.1 | 177.8 | -76.1 | 151.7 | 30.3 | 0 | 0 | 110.2 | N181 S186 L187 F188 | N181-Q184 HydrophobicContact CB-CB 4.14Å; N181-Q184 HydrophobicContact CB-CG 4.07Å; N181-Q184 VanDerWaalsContact ND2-CD 3.29Å; N181-Q184 PolarHBondContact ND2-NE2 3.17Å; N181-Q184 PolarHBondContact ND2-OE1 2.95Å; N181-Q184 PolarHBondContact O-N 3.19Å; Q184-S186 VanDerWaalsContact C-N 3.33Å; Q184-S186 PolarHBondContact O-N 3.43Å; Q184-L187 PolarHBondContact O-N 3.37Å; Q184-F188 VanDerWaalsContact O-CB 3.27Å; Q184-F188 WeakPolarHBondContact O-CB 3.35Å; Q184-F188 PolarHBondContact O-N 3.05Å |
| 185 | D | 71.1 | Confident | 70.9 | Confident | 109 Ų | 109 | 111.7 Ų | 111.7 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63 | -42 | 175.2 | -65.4 | -24.8 | 0 | 0 | 0 | 111 | F188 L189 | D185-F188 PolarHBondContact O-N 3.19Å; D185-L189 WeakPolarHBondContact O-CB 3.33Å; D185-L189 PolarHBondContact O-N 3.07Å |
| 186 | S | 76.1 | Confident | 73.7 | Confident | 79 Ų | 79 | 111.5 Ų | 111.5 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | N182 Q184 F190 | N182-S186 WeakPolarHBondContact O-CB 3.4Å; N182-S186 PolarHBondContact O-N 3.37Å; N182-S186 PolarHBondContact O-OG 3.01Å; Q184-S186 VanDerWaalsContact C-N 3.33Å; Q184-S186 PolarHBondContact O-N 3.43Å; S186-F190 PolarHBondContact O-N 3.25Å |
| 187 | L | 85.5 | Confident | 75.9 | Confident | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.3 | -40.8 | 177.4 | -74.8 | 178.5 | 0 | 0 | 0 | 112.1 | W183 Q184 L189 F190 V191 | W183-L187 HydrophobicContact CE3-CD1 3.47Å; W183-L187 VanDerWaalsContact CE3-CD1 3.47Å; W183-L187 HydrophobicContact CE3-CG 4.43Å; W183-L187 HydrophobicContact CZ3-CD1 3.67Å; W183-L187 WeakPolarHBondContact O-CB 3.27Å; W183-L187 WeakPolarHBondContact O-CG 3.36Å; W183-L187 PolarHBondContact O-N 3Å; Q184-L187 PolarHBondContact O-N 3.37Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-F190 PolarHBondContact O-N 3.41Å; L187-V191 WeakPolarHBondContact O-CG2 3.34Å; L187-V191 PolarHBondContact O-N 3.08Å |
| 188 | F | 84.3 | Confident | 78.4 | Confident | 160 Ų | 160 | 108.1 Ų | 108.1 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.3 | -43.9 | 178.3 | -176.2 | -99.3 | 0 | 0 | 0 | 111.3 | Q184 D185 F190 V191 A192 | Q184-F188 VanDerWaalsContact O-CB 3.27Å; Q184-F188 WeakPolarHBondContact O-CB 3.35Å; Q184-F188 PolarHBondContact O-N 3.05Å; D185-F188 PolarHBondContact O-N 3.19Å; F188-F190 VanDerWaalsContact C-N 3.31Å; F188-F190 PolarHBondContact O-N 3.3Å; F188-V191 PolarHBondContact O-N 3.39Å; F188-A192 WeakPolarHBondContact O-CB 3.47Å; F188-A192 PolarHBondContact O-N 3.28Å |
| 189 | L | 84.7 | Confident | 80.9 | Confident | 110 Ų | 110 | 108.9 Ų | 108.9 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 177.8 | -142.1 | 156.9 | 0 | 0 | 0 | 111.4 | D185 L187 I193 | D185-L189 WeakPolarHBondContact O-CB 3.33Å; D185-L189 PolarHBondContact O-N 3.07Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L189-I193 HydrophobicContact CD2-CD1 3.59Å; L189-I193 HydrophobicContact CD2-CG1 4.21Å; L189-I193 VanDerWaalsContact O-CG1 3.27Å; L189-I193 WeakPolarHBondContact O-CG1 3.37Å; L189-I193 PolarHBondContact O-N 3.44Å; L189-I193 VanDerWaalsContact O-N 3.07Å |
| 190 | F | 91.2 | Very high | 82.7 | Confident | 131 Ų | 131 | 107.9 Ų | 107.9 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.5 | -49.9 | 176.5 | -145.1 | -107.9 | 0 | 0 | 0 | 111.9 | S186 L187 F188 A192 I193 F194 | S186-F190 PolarHBondContact O-N 3.25Å; L187-F190 PolarHBondContact O-N 3.41Å; F188-F190 VanDerWaalsContact C-N 3.31Å; F188-F190 PolarHBondContact O-N 3.3Å; F190-A192 VanDerWaalsContact C-N 3.29Å; F190-A192 PolarHBondContact O-N 2.99Å; F190-I193 PolarHBondContact O-N 3.43Å; F190-F194 AromaticContact CD1-CD2 3.84Å; F190-F194 HydrophobicContact CD1-CD2 3.84Å; F190-F194 AromaticContact CD1-CE2 3.52Å; F190-F194 HydrophobicContact CD1-CE2 3.52Å; F190-F194 HydrophobicContact CE1-CD2 4.05Å; F190-F194 AromaticContact CE1-CE2 3.24Å; F190-F194 HydrophobicContact CE1-CE2 3.24Å; F190-F194 HydrophobicContact CE1-CZ 4.08Å; F190-F194 HydrophobicContact CG-CE2 4.37Å; F190-F194 AromaticContact CZ-CE2 3.85Å; F190-F194 HydrophobicContact CZ-CE2 3.85Å; F190-F194 WeakPolarHBondContact O-CD2 3.29Å; F190-F194 PolarHBondContact O-N 2.92Å; F190-F194 VanDerWaalsContact O-N 3.08Å |
| 191 | V | 92.7 | Very high | 84.2 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 178 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | L187 F188 F194 F195 | L187-V191 WeakPolarHBondContact O-CG2 3.34Å; L187-V191 PolarHBondContact O-N 3.08Å; F188-V191 PolarHBondContact O-N 3.39Å; V191-F194 PolarHBondContact O-N 3.49Å; V191-F195 WeakPolarHBondContact O-CB 3.33Å; V191-F195 PolarHBondContact O-N 3.01Å |
| 192 | A | 91.8 | Very high | 84.9 | Confident | 34 Ų | 34 | 113.6 Ų | 113.6 | 28% | 0.281 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.6 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F188 F190 F194 F195 F196 | F188-A192 WeakPolarHBondContact O-CB 3.47Å; F188-A192 PolarHBondContact O-N 3.28Å; F190-A192 VanDerWaalsContact C-N 3.29Å; F190-A192 PolarHBondContact O-N 2.99Å; A192-F194 PolarHBondContact O-N 3.29Å; A192-F195 PolarHBondContact O-N 3.29Å; A192-F196 VanDerWaalsContact O-CD2 3.29Å; A192-F196 WeakPolarHBondContact O-CD2 3.4Å; A192-F196 PolarHBondContact O-N 3.26Å |
| 193 | I | 94.4 | Very high | 86.1 | Confident | 74 Ų | 74 | 113.4 Ų | 113.4 | 38% | 0.379 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.2 | -45.9 | 177.7 | -71.4 | 168.2 | 0 | 0 | 0 | 111.3 | L189 F190 F195 F196 F197 | L189-I193 HydrophobicContact CD2-CD1 3.59Å; L189-I193 HydrophobicContact CD2-CG1 4.21Å; L189-I193 VanDerWaalsContact O-CG1 3.27Å; L189-I193 WeakPolarHBondContact O-CG1 3.37Å; L189-I193 PolarHBondContact O-N 3.44Å; L189-I193 VanDerWaalsContact O-N 3.07Å; F190-I193 PolarHBondContact O-N 3.43Å; I193-F195 VanDerWaalsContact C-N 3.32Å; I193-F195 PolarHBondContact O-N 3.35Å; I193-F196 PolarHBondContact O-N 3.32Å; I193-F197 HydrophobicContact CG2-CD2 3.55Å; I193-F197 HydrophobicContact CG2-CE2 3.31Å; I193-F197 WeakPolarHBondContact O-CD2 3.27Å; I193-F197 PolarHBondContact O-N 3.46Å |
| 194 | F | 94.8 | Very high | 87.2 | Confident | 128 Ų | 128 | 111.3 Ų | 111.3 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.9 | -41.4 | 177.1 | -88.4 | -84.5 | 0 | 0 | 0 | 112.5 | F190 V191 A192 F197 W198 | F190-F194 AromaticContact CD1-CD2 3.84Å; F190-F194 HydrophobicContact CD1-CD2 3.84Å; F190-F194 AromaticContact CD1-CE2 3.52Å; F190-F194 HydrophobicContact CD1-CE2 3.52Å; F190-F194 HydrophobicContact CE1-CD2 4.05Å; F190-F194 AromaticContact CE1-CE2 3.24Å; F190-F194 HydrophobicContact CE1-CE2 3.24Å; F190-F194 HydrophobicContact CE1-CZ 4.08Å; F190-F194 HydrophobicContact CG-CE2 4.37Å; F190-F194 AromaticContact CZ-CE2 3.85Å; F190-F194 HydrophobicContact CZ-CE2 3.85Å; F190-F194 WeakPolarHBondContact O-CD2 3.29Å; F190-F194 PolarHBondContact O-N 2.92Å; F190-F194 VanDerWaalsContact O-N 3.08Å; V191-F194 PolarHBondContact O-N 3.49Å; A192-F194 PolarHBondContact O-N 3.29Å; F194-F197 PolarHBondContact O-N 2.9Å; F194-W198 WeakPolarHBondContact O-CB 3.17Å; F194-W198 PolarHBondContact O-N 2.94Å |
| 195 | F | 94 | Very high | 88.1 | Confident | 114 Ų | 114 | 113.1 Ų | 113.1 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 177.3 | -177 | -104.8 | 0 | 0 | 0 | 112.1 | V191 A192 I193 W198 L199 | V191-F195 WeakPolarHBondContact O-CB 3.33Å; V191-F195 PolarHBondContact O-N 3.01Å; A192-F195 PolarHBondContact O-N 3.29Å; I193-F195 VanDerWaalsContact C-N 3.32Å; I193-F195 PolarHBondContact O-N 3.35Å; F195-W198 HydrophobicContact CD2-CE3 4.33Å; F195-W198 HydrophobicContact CE2-CE3 4.17Å; F195-W198 HydrophobicContact CE2-CZ3 4.22Å; F195-W198 PolarHBondContact O-N 2.84Å; F195-L199 HydrophobicContact CD1-CD1 4.06Å; F195-L199 HydrophobicContact CE1-CD1 3.43Å; F195-L199 VanDerWaalsContact CE1-CD1 3.43Å; F195-L199 HydrophobicContact CE1-CG 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.78Å; F195-L199 WeakPolarHBondContact O-CB 3.47Å; F195-L199 PolarHBondContact O-N 3.02Å |
| 196 | F | 95.4 | Very high | 89.1 | Confident | 137 Ų | 137 | 113.3 Ų | 113.3 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.6 | -46.8 | 174.6 | -93.2 | -74.6 | 0 | 0 | 0 | 112.3 | A192 I193 W198 L199 L200 | A192-F196 VanDerWaalsContact O-CD2 3.29Å; A192-F196 WeakPolarHBondContact O-CD2 3.4Å; A192-F196 PolarHBondContact O-N 3.26Å; I193-F196 PolarHBondContact O-N 3.32Å; F196-W198 VanDerWaalsContact C-N 3.32Å; F196-W198 PolarHBondContact O-N 3.39Å; F196-L199 PolarHBondContact O-N 2.76Å; F196-L200 WeakPolarHBondContact O-CG 3.5Å; F196-L200 PolarHBondContact O-N 2.87Å |
| 197 | F | 95.3 | Very high | 89.9 | Confident | 137 Ų | 137 | 115.4 Ų | 115.4 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.2 | -37.9 | 177.1 | -76.3 | -61.5 | 0 | 0 | 0 | 112.3 | I193 F194 L200 S201 | I193-F197 HydrophobicContact CG2-CD2 3.55Å; I193-F197 HydrophobicContact CG2-CE2 3.31Å; I193-F197 WeakPolarHBondContact O-CD2 3.27Å; I193-F197 PolarHBondContact O-N 3.46Å; F194-F197 PolarHBondContact O-N 2.9Å; F197-L200 PolarHBondContact O-N 3.23Å; F197-S201 WeakPolarHBondContact O-CB 3.36Å; F197-S201 PolarHBondContact O-N 3.12Å; F197-S201 VanDerWaalsContact O-N 3.15Å; F197-S201 PolarHBondContact O-OG 3.42Å |
| 198 | W | 93.4 | Very high | 90.2 | Very high | 152 Ų | 152 | 116.6 Ų | 116.6 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61 | -46.1 | 174.1 | -178.3 | 77.4 | 0 | 0 | 0 | 111.7 | F194 F195 F196 L200 S201 V202 | F194-W198 WeakPolarHBondContact O-CB 3.17Å; F194-W198 PolarHBondContact O-N 2.94Å; F195-W198 HydrophobicContact CD2-CE3 4.33Å; F195-W198 HydrophobicContact CE2-CE3 4.17Å; F195-W198 HydrophobicContact CE2-CZ3 4.22Å; F195-W198 PolarHBondContact O-N 2.84Å; F196-W198 VanDerWaalsContact C-N 3.32Å; F196-W198 PolarHBondContact O-N 3.39Å; W198-L200 VanDerWaalsContact C-N 3.31Å; W198-L200 PolarHBondContact O-N 3.45Å; W198-S201 PolarHBondContact O-N 3.15Å; W198-S201 VanDerWaalsContact O-N 3.12Å; W198-S201 PolarHBondContact O-OG 3.01Å; W198-V202 PolarHBondContact O-N 3.35Å |
| 199 | L | 88.5 | Confident | 90.6 | Very high | 85 Ų | 85 | 113.5 Ų | 113.5 | 45% | 0.445 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.7 | -32.8 | 177 | -112.2 | 166 | 0 | 0 | 0 | 113.8 | F195 F196 S201 | F195-L199 HydrophobicContact CD1-CD1 4.06Å; F195-L199 HydrophobicContact CE1-CD1 3.43Å; F195-L199 VanDerWaalsContact CE1-CD1 3.43Å; F195-L199 HydrophobicContact CE1-CG 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.78Å; F195-L199 WeakPolarHBondContact O-CB 3.47Å; F195-L199 PolarHBondContact O-N 3.02Å; F196-L199 PolarHBondContact O-N 2.76Å; L199-S201 VanDerWaalsContact C-N 3.32Å |
| 200 | L | 88.7 | Confident | 91.1 | Very high | 140 Ų | 140 | 113.8 Ų | 113.8 | 73% | 0.733 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -81.2 | -14.2 | 177.3 | -68.5 | 175.3 | 0 | 0 | 0 | 113.1 | F196 F197 W198 | F196-L200 WeakPolarHBondContact O-CG 3.5Å; F196-L200 PolarHBondContact O-N 2.87Å; F197-L200 PolarHBondContact O-N 3.23Å; W198-L200 VanDerWaalsContact C-N 3.31Å; W198-L200 PolarHBondContact O-N 3.45Å |
| 201 | S | 85.6 | Confident | 91.1 | Very high | 94 Ų | 94 | 112.3 Ų | 112.3 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -100.9 | -9.2 | -178.7 | 71.2 | 0 | 0 | 0 | 0 | 114.5 | F197 W198 L199 | F197-S201 WeakPolarHBondContact O-CB 3.36Å; F197-S201 PolarHBondContact O-N 3.12Å; F197-S201 VanDerWaalsContact O-N 3.15Å; F197-S201 PolarHBondContact O-OG 3.42Å; W198-S201 PolarHBondContact O-N 3.15Å; W198-S201 VanDerWaalsContact O-N 3.12Å; W198-S201 PolarHBondContact O-OG 3.01Å; L199-S201 VanDerWaalsContact C-N 3.32Å |
| 202 | V | 78.4 | Confident | 90.9 | Very high | 152 Ų | 152 | 113.4 Ų | 113.4 | 92% | 0.921 | 57% | 0.569 | S | S | * | * | trans | -98.3 | 0 | 177.6 | 121.5 | 0 | 0 | 0 | 0 | 110.2 | W198 | W198-V202 PolarHBondContact O-N 3.35Š|
Retrieved 202 of 202 residues in 707 ms
(Link to these results)