| 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 | 48.8 | Very low | 56.2 | Low | 240 Ų | 240 | 149.1 Ų | 149.1 | 100% | 1.182 | 85% | 0.848 | S | S | * | * | 0 | 126.8 | 0 | -94.6 | 157.1 | 160.1 | 0 | 0 | 107.2 | |||||
| 2 | S | 53.7 | Low | 56.2 | Low | 125 Ų | 125 | 145.4 Ų | 145.4 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | trans | 91.4 | 82.3 | 179.4 | -41.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | D | 54 | Low | 56.1 | Low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 84% | 0.837 | S | S | * | * | trans | -58.5 | 157.3 | 155.7 | -66.2 | -79 | 0 | 0 | 0 | 113.4 | ||||
| 4 | Y | 56.4 | Low | 55.6 | Low | 247 Ų | 247 | 142.1 Ų | 142.1 | 97% | 0.969 | 84% | 0.836 | S | S | * | * | trans | 169.6 | 117.7 | 142.3 | -93 | -71 | 0 | 0 | 0 | 106 | ||||
| 5 | G | 53.4 | Low | 55.5 | Low | 78 Ų | 78 | 143.6 Ų | 143.6 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | cis | 145.5 | 104.7 | 16.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 6 | S | 58 | Low | 55.2 | Low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | trans | -86.8 | 130.5 | -163 | -154.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 7 | T | 60.6 | Low | 54.8 | Low | 109 Ų | 109 | 146.5 Ų | 146.5 | 67% | 0.669 | 83% | 0.827 | S | S | * | * | trans | 20.8 | 146 | 137.6 | 59.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 8 | H | 65.2 | Low | 54.6 | Low | 167 Ų | 167 | 145 Ų | 145 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 92.4 | 100.9 | 146.4 | -84.8 | 41.9 | 0 | 0 | 0 | 116.3 | ||||
| 9 | E | 57.2 | Low | 54.1 | Low | 173 Ų | 173 | 148.5 Ų | 148.5 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | 84.8 | 118.3 | 70.7 | -71 | -103.5 | 148.4 | 0 | 0 | 111.1 | |||||
| 10 | D | 60.3 | Low | 53.8 | Low | 162 Ų | 162 | 153.4 Ų | 153.4 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -66 | 146.3 | -160.6 | -56.8 | -79.9 | 0 | 0 | 0 | 115.4 | ||||
| 11 | G | 50.8 | Low | 53.3 | Low | 77 Ų | 77 | 151.6 Ų | 151.6 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -107.6 | 146.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | A | 55.5 | Low | 53.5 | Low | 105 Ų | 105 | 146.1 Ų | 146.1 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | 154.2 | 113.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 13 | G | 55.3 | Low | 53 | Low | 67 Ų | 67 | 148.5 Ų | 148.5 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | 100.7 | 94 | 94 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 14 | E | 48.9 | Very low | 52.5 | Low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | 80.1 | 139.8 | 96.3 | -72.3 | 179.1 | -168.2 | 0 | 0 | 113.5 | |||||
| 15 | E | 54.2 | Low | 51.7 | Low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | 101.2 | 102.5 | 153.5 | -41.6 | -165.9 | -165.9 | 0 | 0 | 120.6 | ||||
| 16 | E | 50.5 | Low | 51.3 | Low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | 76.6 | 116.1 | 129.6 | -70.1 | -162.9 | 141.1 | 0 | 0 | 124.5 | |||||
| 17 | E | 48.2 | Very low | 50.2 | Low | 150 Ų | 150 | 155.5 Ų | 155.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -55.8 | 154.3 | 158.7 | -98.1 | -112.4 | 171.2 | 0 | 0 | 113.7 | R19 | E17-R19 WeakPolarHBondContact OE2-CG 3.04Å; E17-R19 PolarHBondContact OE2-N 3.21Å; E17-R19 VanDerWaalsContact OE2-N 3.11Å | ||
| 18 | P | 51.1 | Low | 49.4 | Very low | 119 Ų | 119 | 160.6 Ų | 160.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | -151.7 | 136 | 92.7 | 34 | -13.6 | 0 | 0 | 0 | 117.7 | |||||
| 19 | R | 45.9 | Very low | 48.1 | Very low | 212 Ų | 212 | 162.7 Ų | 162.7 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 19.5 | 120.9 | 130.9 | -49.1 | -174.3 | -178.2 | -163.7 | 0.5 | 119.7 | E17 | E17-R19 WeakPolarHBondContact OE2-CG 3.04Å; E17-R19 PolarHBondContact OE2-N 3.21Å; E17-R19 VanDerWaalsContact OE2-N 3.11Å | ||
| 20 | R | 47.3 | Very low | 47.1 | Very low | 245 Ų | 245 | 159.9 Ų | 159.9 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | 167.6 | 120.8 | 119.2 | -99.5 | 178.2 | 177.7 | -164.7 | -0.3 | 112.5 | |||||
| 21 | S | 44.1 | Very low | 46.3 | Very low | 117 Ų | 117 | 157 Ų | 157 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 161.1 | 167.4 | -43 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 22 | P | 52.9 | Low | 45.7 | Very low | 125 Ų | 125 | 158.8 Ų | 158.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | -139.9 | 141.8 | 117.3 | 16.8 | 4.7 | 0 | 0 | 0 | 115.1 | |||||
| 23 | E | 43 | Very low | 45.3 | Very low | 174 Ų | 174 | 165.8 Ų | 165.8 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -49.5 | 152.3 | 158.9 | -73.6 | -177.8 | 102.4 | 0 | 0 | 111.8 | ||||
| 24 | H | 44.1 | Very low | 44.4 | Very low | 154 Ų | 154 | 168.2 Ų | 168.2 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | -171.1 | 95 | 127.5 | -111.7 | -89.3 | 0 | 0 | 0 | 111.6 | |||||
| 25 | N | 39.1 | Very low | 44.2 | Very low | 149 Ų | 149 | 168.4 Ų | 168.4 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -89 | 98.7 | 159.6 | -178.1 | 6.1 | 0 | 0 | 0 | 108.7 | ||||
| 26 | R | 45.1 | Very low | 43.7 | Very low | 209 Ų | 209 | 164.5 Ų | 164.5 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | trans | -138.5 | 104.1 | 163.6 | -69.9 | -168.4 | -174.9 | 172.7 | 3.4 | 111.4 | ||||
| 27 | R | 35 | Very low | 43.4 | Very low | 223 Ų | 223 | 166.3 Ų | 166.3 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -22.6 | 133.5 | 148.1 | -59.9 | 170.6 | 176 | 179.5 | -2.5 | 112.4 | ||||
| 28 | R | 42.9 | Very low | 43.2 | Very low | 216 Ų | 216 | 164.2 Ų | 164.2 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | 172.7 | 125.1 | 123.1 | -92.9 | 163.1 | -169.1 | -146.8 | 4.8 | 113.4 | |||||
| 29 | R | 38 | Very low | 42.9 | Very low | 210 Ų | 210 | 169.4 Ų | 169.4 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | 62.3 | 97.7 | 129.3 | -70.4 | 177.6 | 170.8 | 170.6 | -4.4 | 119.8 | |||||
| 30 | S | 37.1 | Very low | 42.7 | Very low | 114 Ų | 114 | 164.7 Ų | 164.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 39.6 | 117.3 | 120.9 | 53.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 31 | A | 44.2 | Very low | 42.4 | Very low | 103 Ų | 103 | 164.9 Ų | 164.9 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -153.3 | 128.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | S | 37.7 | Very low | 42.3 | Very low | 113 Ų | 113 | 164.9 Ų | 164.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -61 | 142.2 | 178.6 | 46.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 33 | R | 46 | Very low | 41.9 | Very low | 253 Ų | 253 | 167.8 Ų | 167.8 | 96% | 0.955 | 81% | 0.805 | S | S | * | * | trans | -164.1 | 119.2 | 137.7 | -106.9 | 161.5 | -173 | -174.2 | 2 | 110.6 | ||||
| 34 | S | 38 | Very low | 41.7 | Very low | 117 Ų | 117 | 166.9 Ų | 166.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 135.7 | -175.7 | 39 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 35 | Q | 44.3 | Very low | 41.7 | Very low | 181 Ų | 181 | 164.9 Ų | 164.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -157.1 | 106.4 | 149.5 | -155.7 | 151.6 | -31.6 | 0 | 0 | 112.2 | ||||
| 36 | S | 43 | Very low | 41.7 | Very low | 84 Ų | 84 | 166.6 Ų | 166.6 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | trans | 73.4 | 112.2 | 136.4 | -60.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 37 | R | 45.1 | Very low | 41.5 | Very low | 224 Ų | 224 | 167.2 Ų | 167.2 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | 92.3 | 92.5 | 125.2 | -62.7 | 168.4 | -169.7 | -173.9 | 0.3 | 119.2 | |||||
| 38 | S | 43 | Very low | 41.8 | Very low | 106 Ų | 106 | 165.3 Ų | 165.3 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 44.2 | 130 | 121.2 | -25.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 39 | R | 44.4 | Very low | 41.7 | Very low | 228 Ų | 228 | 165.1 Ų | 165.1 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | cis | -160.1 | 126.7 | 19.6 | -66.1 | -175.5 | 167.3 | 141.5 | -5.3 | 110.5 | ||||
| 40 | S | 42.6 | Very low | 41.9 | Very low | 113 Ų | 113 | 166.3 Ų | 166.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 57.3 | 89.8 | 135.2 | -47.2 | 0 | 0 | 0 | 0 | 119.7 | S42 | S40-S42 PolarHBondContact O-N 3.38Š| ||
| 41 | R | 40.6 | Very low | 42 | Very low | 249 Ų | 249 | 165.6 Ų | 165.6 | 94% | 0.94 | 78% | 0.784 | S | S | * | * | trans | -53.5 | 132.9 | 152.1 | -67.9 | 178.6 | 177.3 | 172.2 | -1.9 | 109.6 | R43 | R41-R43 PolarHBondContact O-N 3.34Š| ||
| 42 | S | 43.2 | Very low | 42.1 | Very low | 118 Ų | 118 | 171.8 Ų | 171.8 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -56.6 | 122.2 | -171.3 | 40.4 | 0 | 0 | 0 | 0 | 112.1 | S40 E44 | S40-S42 PolarHBondContact O-N 3.38Å; S42-E44 PolarHBondContact O-N 2.9Å | ||
| 43 | R | 43.7 | Very low | 42.4 | Very low | 186 Ų | 186 | 172.6 Ų | 172.6 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -55.2 | 104.4 | 165.9 | -63.3 | 174.1 | 179.2 | 172.7 | -1.6 | 107.2 | R41 | R41-R43 PolarHBondContact O-N 3.34Š| ||
| 44 | E | 37.7 | Very low | 42.3 | Very low | 154 Ų | 154 | 163.5 Ų | 163.5 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | S | Bend | 58.6 | 111.3 | 88.5 | -171 | 169.6 | -168.2 | 0 | 0 | 110.2 | S42 R46 | S42-E44 PolarHBondContact O-N 2.9Å; E44-R46 PolarHBondContact O-N 3.36Å | |
| 45 | D | 44.4 | Very low | 42.8 | Very low | 113 Ų | 113 | 162.7 Ų | 162.7 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | trans | 46.4 | 33 | 147.2 | -74.7 | -76.6 | 0 | 0 | 0 | 117.2 | R47 R48 | D45-R47 PolarHBondContact O-N 2.59Å; D45-R48 IonicContact OD1-CZ 3.86Å; D45-R48 IonicContact OD1-NH1 3.83Å; D45-R48 PolarHBondContact OD1-NH1 3.15Å; D45-R48 VanDerWaalsContact OD1-NH1 3.1Å | ||
| 46 | R | 39 | Very low | 42.9 | Very low | 184 Ų | 184 | 165.4 Ų | 165.4 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | -77.3 | 80.5 | 165.7 | -78.6 | -176.3 | -179.4 | 168.2 | -1.8 | 108.7 | E44 | E44-R46 PolarHBondContact O-N 3.36Š| ||
| 47 | R | 42.6 | Very low | 43.1 | Very low | 223 Ų | 223 | 172.5 Ų | 172.5 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 75.6 | 51.6 | 143.1 | -52 | 172.4 | -172.2 | -164.8 | 1.1 | 112.4 | D45 R49 | D45-R47 PolarHBondContact O-N 2.59Å; R47-R49 PolarHBondContact O-N 3.31Å; R47-R49 VanDerWaalsContact O-N 3.14Å | ||
| 48 | R | 40.5 | Very low | 43 | Very low | 182 Ų | 182 | 171.1 Ų | 171.1 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | -29.8 | 118.3 | 128.8 | -81 | 172.4 | 169.8 | 163.4 | -10.5 | 109.2 | D45 | D45-R48 IonicContact OD1-CZ 3.86Å; D45-R48 IonicContact OD1-NH1 3.83Å; D45-R48 PolarHBondContact OD1-NH1 3.15Å; D45-R48 VanDerWaalsContact OD1-NH1 3.1Å | |||
| 49 | R | 40.3 | Very low | 43 | Very low | 212 Ų | 212 | 171.1 Ų | 171.1 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 59.7 | 94.8 | 131.7 | -53.9 | 174.8 | -179.3 | -169.4 | -1.9 | 115.1 | R47 | R47-R49 PolarHBondContact O-N 3.31Å; R47-R49 VanDerWaalsContact O-N 3.14Å | ||
| 50 | R | 42.2 | Very low | 43.2 | Very low | 236 Ų | 236 | 171.7 Ų | 171.7 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | 176.6 | 92.5 | 114.8 | -98.2 | 162.3 | 170.2 | 156.7 | -3.7 | 110 | |||||
| 51 | S | 40.3 | Very low | 43.3 | Very low | 98 Ų | 98 | 169.9 Ų | 169.9 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | 25 | 119.9 | 126.6 | 27.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 52 | R | 45.6 | Very low | 43.5 | Very low | 234 Ų | 234 | 167.7 Ų | 167.7 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 67.1 | 87.2 | 140.4 | -65.6 | 176 | 173.5 | 159.6 | -2.8 | 114.5 | G54 | R52-G54 PolarHBondContact O-N 3.41Š| ||
| 53 | S | 43.8 | Very low | 43.5 | Very low | 130 Ų | 130 | 166.3 Ų | 166.3 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -33.2 | 78.6 | 145 | 29.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 54 | G | 44.5 | Very low | 43.7 | Very low | 62 Ų | 62 | 159.7 Ų | 159.7 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | trans | -122.7 | 9.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R52 | R52-G54 PolarHBondContact O-N 3.41Š| ||
| 55 | S | 48.4 | Very low | 44.4 | Very low | 100 Ų | 100 | 157.7 Ų | 157.7 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -97.4 | 1.8 | -163.9 | 47.2 | 0 | 0 | 0 | 0 | 116.2 | R57 | S55-R57 VanDerWaalsContact C-N 3.33Å; S55-R57 PolarHBondContact O-N 3.26Å |
| 56 | R | 46.1 | Very low | 45.1 | Very low | 238 Ų | 238 | 162.2 Ų | 162.2 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -82.6 | -1.1 | 178.6 | -68.5 | -174.4 | -176.7 | 173.4 | 1.4 | 115.2 | ||
| 57 | R | 46.3 | Very low | 46.8 | Very low | 233 Ų | 233 | 154.4 Ų | 154.4 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -102.9 | -4.4 | -179.8 | -70.9 | -171 | 173.3 | -165.2 | -1.3 | 115.3 | S55 | S55-R57 VanDerWaalsContact C-N 3.33Å; S55-R57 PolarHBondContact O-N 3.26Å |
| 58 | R | 44.4 | Very low | 48.7 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 73% | 0.732 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -107.1 | 5.5 | -175.5 | -82.3 | -178.3 | 171.8 | 178.5 | -2.5 | 115.9 | ||
| 59 | S | 43.5 | Very low | 50.9 | Low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -97.7 | -2 | -179.9 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 60 | R | 47.3 | Very low | 53.3 | Low | 241 Ų | 241 | 130.9 Ų | 130.9 | 91% | 0.909 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -96.8 | -3.8 | 173.1 | -72.1 | -179 | 177.8 | 158.3 | -1.9 | 114.1 | ||
| 61 | S | 44.4 | Very low | 55.5 | Low | 75 Ų | 75 | 121.8 Ų | 121.8 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -121.6 | 17.9 | -161.9 | 59.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 62 | R | 45.3 | Very low | 57.9 | Low | 203 Ų | 203 | 117.1 Ų | 117.1 | 77% | 0.766 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -132.7 | 10.5 | -177.8 | -71.8 | -174.4 | 173.3 | 176.4 | -4.4 | 116 | ||
| 63 | S | 42.9 | Very low | 59.9 | Low | 88 Ų | 88 | 106.2 Ų | 106.2 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | trans | -99.1 | 12.7 | 170.5 | 78.7 | 0 | 0 | 0 | 0 | 114 | S65 | S63-S65 PolarHBondContact O-N 2.85Š| ||
| 64 | S | 47.8 | Very low | 61.9 | Low | 48 Ų | 48 | 104.4 Ų | 104.4 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | trans | -75.3 | 10.2 | 179.4 | -173.2 | 0 | 0 | 0 | 0 | 114.3 | R66 G67 Y68 | S64-R66 PolarHBondContact O-N 3.21Å; S64-G67 PolarHBondContact O-N 3.02Å; S64-Y68 PolarHBondContact OG-OH 3.38Å | ||
| 65 | S | 52.3 | Low | 63.8 | Low | 111 Ų | 111 | 102.1 Ų | 102.1 | 78% | 0.776 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 4 | -167.9 | -66 | 0 | 0 | 0 | 0 | 116 | S63 | S63-S65 PolarHBondContact O-N 2.85Š|
| 66 | R | 60.6 | Low | 65.4 | Low | 208 Ų | 208 | 101.1 Ų | 101.1 | 79% | 0.785 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | 18.1 | 172.8 | -71.9 | -171.6 | 177.5 | 175.2 | -6 | 114.5 | S64 | S64-R66 PolarHBondContact O-N 3.21Š|
| 67 | G | 72.8 | Confident | 67.1 | Low | 21 Ų | 21 | 93.6 Ų | 93.6 | 22% | 0.216 | 46% | 0.455 | C | S | . | . | trans | 105.2 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S64 F111 | S64-G67 PolarHBondContact O-N 3.02Å; G67-F111 CarbonylContact C-O 3.54Å; G67-F111 WeakPolarHBondContact CA-O 3.39Å | ||
| 68 | Y | 82.8 | Confident | 68.8 | Low | 70 Ų | 70 | 86.7 Ų | 86.7 | 28% | 0.275 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 106.6 | -175.9 | -64.1 | -88.8 | 0 | 0 | 0 | 109.8 | S64 F111 N112 N113 R114 | S64-Y68 PolarHBondContact OG-OH 3.38Å; Y68-F111 PolarHBondContact N-O 2.88Å; Y68-F111 PolarHBondContact O-N 2.87Å; Y68-N112 WeakPolarHBondContact CD2-O 3.18Å; Y68-N113 WeakPolarHBondContact CD2-O 3.48Å; Y68-R114 HydrophobicContact CD1-CB 3.76Å; Y68-R114 HydrophobicContact CD1-CG 3.66Å; Y68-R114 HydrophobicContact CD2-CB 4.11Å; Y68-R114 HydrophobicContact CE1-CB 3.39Å; Y68-R114 HydrophobicContact CE1-CG 3.42Å; Y68-R114 VanDerWaalsContact CE1-CG 3.42Å; Y68-R114 HydrophobicContact CE2-CB 3.76Å; Y68-R114 HydrophobicContact CG-CB 4.1Å; Y68-R114 HydrophobicContact CG-CG 4.39Å |
| 69 | R | 87.4 | Confident | 70.6 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 20% | 0.2 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.6 | -175.2 | -169.4 | -177.9 | -169.7 | -160.6 | 5.5 | 111.1 | F108 V109 V110 A139 | R69-F108 HydrophobicContact CG-CB 4.37Å; R69-F108 HydrophobicContact CG-CD1 4.11Å; R69-F108 VanDerWaalsContact CZ-CD1 3.42Å; R69-F108 VanDerWaalsContact CZ-CG 3.42Å; R69-F108 VanDerWaalsContact NE-CG 3.34Å; R69-F108 VanDerWaalsContact NH2-CE2 3.27Å; R69-V109 CarbonylContact C-O 3.46Å; R69-V109 WeakPolarHBondContact CA-O 3.18Å; R69-V110 HydrophobicContact CB-CG2 4.19Å; R69-V110 HydrophobicContact CG-CG2 3.99Å; R69-A139 HydrophobicContact CB-CB 3.81Å; R69-A139 HydrophobicContact CG-CB 3.58Å; R69-A139 WeakPolarHBondContact O-CB 3Å; R69-A139 PolarHBondContact O-N 2.71Å |
| 70 | V | 90.1 | Very high | 72.6 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.1 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | I72 F108 V109 F111 A117 V121 V136 | V70-I72 HydrophobicContact CG1-CG1 4.48Å; V70-F108 VanDerWaalsContact O-CA 3.29Å; V70-F108 WeakPolarHBondContact O-CA 3.44Å; V70-V109 PolarHBondContact N-O 3.13Å; V70-V109 PolarHBondContact O-N 2.84Å; V70-F111 HydrophobicContact CB-CE2 4.36Å; V70-F111 HydrophobicContact CG2-CD2 3.77Å; V70-F111 HydrophobicContact CG2-CE2 3.81Å; V70-A117 HydrophobicContact CG2-CB 3.91Å; V70-V121 HydrophobicContact CB-CG2 4.47Å; V70-V121 HydrophobicContact CG1-CG2 3.82Å; V70-V121 HydrophobicContact CG2-CG2 3.88Å; V70-V136 HydrophobicContact CG1-CG1 3.26Å |
| 71 | H | 89.7 | Confident | 74.5 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.5 | 175 | 169.1 | -89.1 | 0 | 0 | 0 | 108.8 | F108 V136 S137 A139 | H71-F108 HydrophobicContact CB-CD1 4.05Å; H71-F108 HydrophobicContact CB-CE1 3.81Å; H71-F108 AromaticContact CD2-CE1 3.49Å; H71-F108 VanDerWaalsContact CD2-CE1 3.49Å; H71-F108 WeakPolarHBondContact CD2-CE1 3.17Å; H71-F108 AromaticContact CD2-CZ 3.7Å; H71-V136 CarbonylContact O-C 3.57Å; H71-V136 WeakPolarHBondContact O-CA 3.46Å; H71-S137 PolarHBondContact N-O 3.24Å; H71-S137 PolarHBondContact O-N 2.77Å; H71-A139 HydrophobicContact CB-CB 4.03Å |
| 72 | I | 89.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 114.5 | 176.6 | -52.8 | 159.8 | 0 | 0 | 0 | 105.9 | V70 I75 L84 F88 F106 A107 V109 L134 R135 V136 | V70-I72 HydrophobicContact CG1-CG1 4.48Å; I72-I75 HydrophobicContact CB-CD1 4.07Å; I72-I75 HydrophobicContact CG2-CD1 3.67Å; I72-I75 HydrophobicContact CG2-CG1 3.88Å; I72-L84 HydrophobicContact CD1-CD1 4.49Å; I72-L84 HydrophobicContact CD1-CD2 4.38Å; I72-F88 HydrophobicContact CD1-CD2 3.94Å; I72-F88 HydrophobicContact CD1-CE1 4.3Å; I72-F88 HydrophobicContact CD1-CE2 3.26Å; I72-F88 HydrophobicContact CD1-CZ 3.46Å; I72-F88 VanDerWaalsContact CD1-CZ 3.46Å; I72-F88 HydrophobicContact CG1-CE2 4Å; I72-F88 HydrophobicContact CG1-CZ 3.71Å; I72-F106 CarbonylContact O-C 3.58Å; I72-F106 VanDerWaalsContact O-CA 3.28Å; I72-F106 WeakPolarHBondContact O-CA 3.16Å; I72-F106 WeakPolarHBondContact O-CB 3.48Å; I72-A107 HydrophobicContact CB-CB 4.21Å; I72-A107 HydrophobicContact CD1-CB 4.17Å; I72-A107 PolarHBondContact N-O 2.82Å; I72-A107 PolarHBondContact O-N 3.46Å; I72-V109 HydrophobicContact CD1-CB 4.49Å; I72-V109 HydrophobicContact CD1-CG2 3.6Å; I72-L134 HydrophobicContact CG2-CB 4.38Å; I72-L134 HydrophobicContact CG2-CD1 4.39Å; I72-L134 HydrophobicContact CG2-CD2 4.04Å; I72-R135 CarbonylContact C-O 3.53Å; I72-R135 WeakPolarHBondContact CA-O 3.49Å; I72-V136 HydrophobicContact CG1-CG1 4.48Å; I72-V136 HydrophobicContact CG1-CG2 4.47Å; I72-V136 HydrophobicContact CG2-CG2 4.44Å |
| 73 | G | 87.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 177.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | R135 | G73-R135 PolarHBondContact N-O 3.14Å; G73-R135 PolarHBondContact O-N 2.84Å |
| 74 | D | 85 | Confident | 80.9 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 59.1 | 50 | 178.7 | -53.6 | -38 | 0 | 0 | 0 | 111.3 | R135 | D74-R135 HydrophobicContact CB-CB 4.14Å; D74-R135 IonicContact OD1-NH1 3.74Å; D74-R135 WeakPolarHBondContact OD2-CB 3.28Å; D74-R135 VanDerWaalsContact OD2-CD 3.32Å; D74-R135 WeakPolarHBondContact OD2-CD 3.24Å; D74-R135 IonicContact OD2-CZ 3.74Å; D74-R135 IonicContact OD2-NE 3.82Å; D74-R135 IonicContact OD2-NH1 2.94Å; D74-R135 PolarHBondContact OD2-NH1 3.37Å |
| 75 | I | 84.6 | Confident | 83 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | trans | -100 | 144.8 | 178.1 | -49.4 | 180 | 0 | 0 | 0 | 108.5 | I72 L79 L84 M99 Y105 A107 L134 | I72-I75 HydrophobicContact CB-CD1 4.07Å; I72-I75 HydrophobicContact CG2-CD1 3.67Å; I72-I75 HydrophobicContact CG2-CG1 3.88Å; I75-L79 HydrophobicContact CG2-CB 3.71Å; I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L84 HydrophobicContact CD1-CD1 4.16Å; I75-M99 HydrophobicContact CG2-CE 4.2Å; I75-Y105 WeakPolarHBondContact O-CB 3.29Å; I75-A107 HydrophobicContact CD1-CB 3.52Å; I75-A107 VanDerWaalsContact CD1-N 3.34Å; I75-L134 HydrophobicContact CG1-CD2 4.39Å | ||
| 76 | D | 82 | Confident | 84.8 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | trans | -103.2 | 165.2 | 171.1 | -158.7 | -1.9 | 0 | 0 | 0 | 111.4 | S78 L79 C132 | D76-S78 PolarHBondContact O-N 2.89Å; D76-S78 VanDerWaalsContact O-N 3.15Å; D76-L79 PolarHBondContact O-N 3.31Å; D76-L79 VanDerWaalsContact O-N 3.13Å; D76-C132 WeakPolarHBondContact CB-SG 3.4Å | ||
| 77 | S | 81.5 | Confident | 86.1 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 56% | 0.559 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.1 | 175.1 | 61 | 0 | 0 | 0 | 0 | 114.3 | L79 | S77-L79 VanDerWaalsContact C-N 3.31Å; S77-L79 PolarHBondContact O-N 2.94Å |
| 78 | S | 82.1 | Confident | 86.9 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 61% | 0.608 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22.8 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 113.7 | D76 | D76-S78 PolarHBondContact O-N 2.89Å; D76-S78 VanDerWaalsContact O-N 3.15Å |
| 79 | L | 84.1 | Confident | 87.3 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | trans | -87.1 | 128.6 | -178.9 | -81.4 | 173.8 | 0 | 0 | 0 | 111.3 | I75 D76 S77 D83 M99 V129 C132 L134 | I75-L79 HydrophobicContact CG2-CB 3.71Å; I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; D76-L79 PolarHBondContact O-N 3.31Å; D76-L79 VanDerWaalsContact O-N 3.13Å; S77-L79 VanDerWaalsContact C-N 3.31Å; S77-L79 PolarHBondContact O-N 2.94Å; L79-D83 HydrophobicContact CD2-CB 4Å; L79-M99 WeakPolarHBondContact O-CE 3.49Å; L79-V129 HydrophobicContact CD2-CB 3.91Å; L79-V129 HydrophobicContact CD2-CG1 3.51Å; L79-C132 HydrophobicContact CD1-CB 3.49Å; L79-C132 VanDerWaalsContact CD1-CB 3.49Å; L79-C132 HydrophobicContact CG-CB 4.13Å; L79-L134 HydrophobicContact CD1-CD2 3.56Å | ||
| 80 | T | 85.3 | Confident | 87.4 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | trans | -99.7 | 162.7 | 176.5 | 71 | 0 | 0 | 0 | 0 | 111.9 | R82 D83 L84 | T80-R82 PolarHBondContact O-N 3.38Å; T80-R82 PolarHBondContact OG1-N 3.2Å; T80-D83 WeakPolarHBondContact CB-OD2 3.18Å; T80-D83 PolarHBondContact N-OD2 2.86Å; T80-D83 PolarHBondContact O-N 3.38Å; T80-D83 VanDerWaalsContact OG1-CG 3.3Å; T80-D83 PolarHBondContact OG1-N 2.95Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; T80-L84 PolarHBondContact O-N 3.02Å | ||
| 81 | E | 87.5 | Confident | 87.3 | Confident | 106 Ų | 106 | 63.4 Ų | 63.4 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.5 | -34 | 170.3 | -170.7 | -170.3 | 150.1 | 0 | 0 | 111.8 | S85 V97 | E81-S85 VanDerWaalsContact O-CB 3.29Å; E81-S85 WeakPolarHBondContact O-CB 3.48Å; E81-S85 PolarHBondContact O-N 3.05Å; E81-V97 HydrophobicContact CG-CB 4.34Å; E81-V97 HydrophobicContact CG-CG1 3.65Å |
| 82 | R | 88.8 | Confident | 87.2 | Confident | 201 Ų | 201 | 62.1 Ų | 62.1 | 76% | 0.758 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.1 | -46.3 | 178.9 | -66.2 | -177.2 | 176.7 | 176 | -0.6 | 111.5 | T80 L84 S85 D86 | T80-R82 PolarHBondContact O-N 3.38Å; T80-R82 PolarHBondContact OG1-N 3.2Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.5Å; R82-S85 WeakPolarHBondContact O-CB 3.28Å; R82-S85 PolarHBondContact O-N 2.74Å; R82-S85 VanDerWaalsContact O-N 3.13Å; R82-D86 PolarHBondContact O-N 2.81Å |
| 83 | D | 89.1 | Confident | 87.1 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 179.1 | -55.4 | -53.5 | 0 | 0 | 0 | 111.3 | L79 T80 A87 V129 | L79-D83 HydrophobicContact CD2-CB 4Å; T80-D83 WeakPolarHBondContact CB-OD2 3.18Å; T80-D83 PolarHBondContact N-OD2 2.86Å; T80-D83 PolarHBondContact O-N 3.38Å; T80-D83 VanDerWaalsContact OG1-CG 3.3Å; T80-D83 PolarHBondContact OG1-N 2.95Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; D83-A87 WeakPolarHBondContact O-CB 3.42Å; D83-A87 PolarHBondContact O-N 2.79Å; D83-V129 HydrophobicContact CB-CG1 4.33Å |
| 84 | L | 88.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 174.1 | -63.4 | 176.9 | 0 | 0 | 0 | 110.7 | I72 I75 T80 R82 D86 A87 F88 A107 L134 | I72-L84 HydrophobicContact CD1-CD1 4.49Å; I72-L84 HydrophobicContact CD1-CD2 4.38Å; I75-L84 HydrophobicContact CD1-CD1 4.16Å; T80-L84 PolarHBondContact O-N 3.02Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.5Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 3.29Å; L84-A87 PolarHBondContact O-N 3.04Å; L84-F88 HydrophobicContact CB-CD2 4.39Å; L84-F88 HydrophobicContact CD2-CE2 4.15Å; L84-F88 WeakPolarHBondContact O-CB 3.37Å; L84-F88 WeakPolarHBondContact O-CD2 3.43Å; L84-F88 PolarHBondContact O-N 2.94Å; L84-A107 HydrophobicContact CD1-CB 3.49Å; L84-A107 VanDerWaalsContact CD1-CB 3.49Å; L84-L134 HydrophobicContact CD2-CD1 4.05Å; L84-L134 HydrophobicContact CD2-CD2 4.37Å |
| 85 | S | 90.2 | Very high | 87.2 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.5 | -49.4 | 177.9 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | E81 R82 F88 K89 | E81-S85 VanDerWaalsContact O-CB 3.29Å; E81-S85 WeakPolarHBondContact O-CB 3.48Å; E81-S85 PolarHBondContact O-N 3.05Å; R82-S85 WeakPolarHBondContact O-CB 3.28Å; R82-S85 PolarHBondContact O-N 2.74Å; R82-S85 VanDerWaalsContact O-N 3.13Å; S85-F88 PolarHBondContact O-N 2.75Å; S85-K89 WeakPolarHBondContact O-CB 3.46Å; S85-K89 PolarHBondContact O-N 2.88Å |
| 86 | D | 90.4 | Very high | 87.3 | Confident | 107 Ų | 107 | 76.6 Ų | 76.6 | 57% | 0.572 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | -179.4 | -71.4 | -26 | 0 | 0 | 0 | 112.1 | R82 L84 F88 | R82-D86 PolarHBondContact O-N 2.81Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 3.29Å; D86-F88 PolarHBondContact O-N 2.74Å |
| 87 | A | 89.1 | Confident | 87.6 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 13% | 0.132 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D83 L84 K90 M124 V129 | D83-A87 WeakPolarHBondContact O-CB 3.42Å; D83-A87 PolarHBondContact O-N 2.79Å; L84-A87 PolarHBondContact O-N 3.04Å; A87-K90 VanDerWaalsContact O-CD 3.29Å; A87-K90 WeakPolarHBondContact O-CD 3.45Å; A87-K90 WeakPolarHBondContact O-CE 3.34Å; A87-K90 VanDerWaalsContact O-CG 3.28Å; A87-K90 WeakPolarHBondContact O-CG 3.29Å; A87-M124 HydrophobicContact CB-CE 3.79Å; A87-V129 HydrophobicContact CB-CG2 4.28Å |
| 88 | F | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -90.2 | -25.2 | -178.4 | -78 | -84 | 0 | 0 | 0 | 113.2 | I72 L84 S85 D86 K90 F91 L94 V109 F111 A120 M124 L134 V136 | I72-F88 HydrophobicContact CD1-CD2 3.94Å; I72-F88 HydrophobicContact CD1-CE1 4.3Å; I72-F88 HydrophobicContact CD1-CE2 3.26Å; I72-F88 HydrophobicContact CD1-CZ 3.46Å; I72-F88 VanDerWaalsContact CD1-CZ 3.46Å; I72-F88 HydrophobicContact CG1-CE2 4Å; I72-F88 HydrophobicContact CG1-CZ 3.71Å; L84-F88 HydrophobicContact CB-CD2 4.39Å; L84-F88 HydrophobicContact CD2-CE2 4.15Å; L84-F88 WeakPolarHBondContact O-CB 3.37Å; L84-F88 WeakPolarHBondContact O-CD2 3.43Å; L84-F88 PolarHBondContact O-N 2.94Å; S85-F88 PolarHBondContact O-N 2.75Å; D86-F88 PolarHBondContact O-N 2.74Å; F88-K90 PolarHBondContact O-N 2.63Å; F88-F91 PolarHBondContact O-N 3.22Å; F88-F91 VanDerWaalsContact O-N 3.15Å; F88-L94 HydrophobicContact CB-CD1 4.22Å; F88-L94 HydrophobicContact CB-CD2 4.11Å; F88-V109 HydrophobicContact CB-CG1 4.36Å; F88-V109 HydrophobicContact CD2-CG2 4.32Å; F88-V109 HydrophobicContact CG-CG2 4.35Å; F88-F111 HydrophobicContact CB-CZ 4.1Å; F88-F111 HydrophobicContact CD1-CE2 4.21Å; F88-F111 AromaticContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CG-CZ 4.47Å; F88-A120 HydrophobicContact CD1-CB 4.01Å; F88-A120 HydrophobicContact CE1-CB 4.25Å; F88-M124 HydrophobicContact CD1-CG 4.27Å; F88-M124 HydrophobicContact CE1-CB 3.91Å; F88-M124 HydrophobicContact CE1-CG 3.81Å; F88-M124 HydrophobicContact CE2-CE 4.29Å; F88-M124 HydrophobicContact CZ-CB 3.93Å; F88-M124 HydrophobicContact CZ-CE 4.38Å; F88-M124 HydrophobicContact CZ-CG 4.07Å; F88-L134 HydrophobicContact CE2-CD1 4.25Å; F88-V136 HydrophobicContact CE1-CG1 4.11Å; F88-V136 HydrophobicContact CZ-CG1 4.2Å; F88-V136 HydrophobicContact CZ-CG2 3.96Å |
| 89 | K | 89.6 | Confident | 88.2 | Confident | 139 Ų | 139 | 73.1 Ų | 73.1 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.9 | -25.9 | 177.3 | -179.5 | 178.1 | 179.3 | -174.7 | 0 | 113.1 | S85 F91 G92 L94 | S85-K89 WeakPolarHBondContact O-CB 3.46Å; S85-K89 PolarHBondContact O-N 2.88Å; K89-F91 PolarHBondContact O-N 3.35Å; K89-G92 PolarHBondContact O-N 3.18Å; K89-L94 HydrophobicContact CB-CD1 4.43Å |
| 90 | K | 89.7 | Confident | 88.1 | Confident | 144 Ų | 144 | 72.7 Ų | 72.7 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24 | 176.3 | 76.8 | -167.3 | 178.2 | -175 | 0 | 114.1 | A87 F88 | A87-K90 VanDerWaalsContact O-CD 3.29Å; A87-K90 WeakPolarHBondContact O-CD 3.45Å; A87-K90 WeakPolarHBondContact O-CE 3.34Å; A87-K90 VanDerWaalsContact O-CG 3.28Å; A87-K90 WeakPolarHBondContact O-CG 3.29Å; F88-K90 PolarHBondContact O-N 2.63Å |
| 91 | F | 88.6 | Confident | 87.6 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 18% | 0.184 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -25.6 | 179.5 | -59 | -76.5 | 0 | 0 | 0 | 113.2 | F88 K89 F111 D119 A120 Y123 M124 | F88-F91 PolarHBondContact O-N 3.22Å; F88-F91 VanDerWaalsContact O-N 3.15Å; K89-F91 PolarHBondContact O-N 3.35Å; F91-F111 HydrophobicContact CB-CE1 4.35Å; F91-D119 HydrophobicContact CD1-CB 4.45Å; F91-A120 HydrophobicContact CB-CB 4Å; F91-A120 HydrophobicContact CD2-CB 3.77Å; F91-A120 HydrophobicContact CE2-CB 4.38Å; F91-A120 HydrophobicContact CG-CB 3.84Å; F91-Y123 HydrophobicContact CD1-CD2 4.27Å; F91-Y123 VanDerWaalsContact CE1-CB 3.47Å; F91-Y123 AromaticContact CE1-CD2 3.67Å; F91-Y123 HydrophobicContact CE1-CD2 3.67Å; F91-Y123 AromaticContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CZ-CG 4.4Å; F91-M124 HydrophobicContact CD2-CG 4.25Å; F91-M124 HydrophobicContact CE2-CG 3.23Å; F91-M124 HydrophobicContact CE2-SD 3.52Å; F91-M124 VanDerWaalsContact CE2-SD 3.52Å; F91-M124 HydrophobicContact CZ-CG 3.59Å; F91-M124 HydrophobicContact CZ-SD 3.74Å |
| 92 | G | 87.1 | Confident | 87.1 | Confident | 17 Ų | 17 | 76.8 Ų | 76.8 | 18% | 0.175 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 170.8 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K89 L94 | K89-G92 PolarHBondContact O-N 3.18Å; G92-L94 PolarHBondContact O-N 2.84Å |
| 93 | K | 87.4 | Confident | 86.4 | Confident | 172 Ų | 172 | 70.7 Ų | 70.7 | 75% | 0.748 | 36% | 0.359 | S | S | * | . | trans | -71.8 | 120.1 | 179.5 | -67 | -177.3 | -179.3 | -179.8 | 0 | 110.6 | N112 | K93-N112 PolarHBondContact O-N 2.73Š| ||
| 94 | L | 88.5 | Confident | 85.7 | Confident | 43 Ų | 43 | 71 Ų | 71 | 23% | 0.225 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130 | 173.2 | -50.4 | -174.4 | 0 | 0 | 0 | 109.4 | F88 K89 G92 V97 V109 F111 | F88-L94 HydrophobicContact CB-CD1 4.22Å; F88-L94 HydrophobicContact CB-CD2 4.11Å; K89-L94 HydrophobicContact CB-CD1 4.43Å; G92-L94 PolarHBondContact O-N 2.84Å; L94-V97 HydrophobicContact CB-CG2 4.28Å; L94-V97 HydrophobicContact CD1-CG2 3.74Å; L94-V109 HydrophobicContact CD1-CG1 4.28Å; L94-V109 HydrophobicContact CD2-CG1 3.4Å; L94-V109 VanDerWaalsContact CD2-CG1 3.4Å; L94-V109 HydrophobicContact CG-CG1 4.3Å; L94-F111 HydrophobicContact CD2-CD1 3.82Å; L94-F111 HydrophobicContact CD2-CE1 3.34Å; L94-F111 HydrophobicContact CD2-CE2 4.28Å; L94-F111 HydrophobicContact CD2-CG 4.46Å; L94-F111 HydrophobicContact CD2-CZ 3.6Å |
| 95 | N | 87.4 | Confident | 85.4 | Confident | 105 Ų | 105 | 74.9 Ų | 74.9 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -39.4 | 175 | -169.4 | 29.3 | 0 | 0 | 0 | 111.2 | V110 | N95-V110 HydrophobicContact CB-CB 4.3Å; N95-V110 HydrophobicContact CB-CG1 4.1Å; N95-V110 WeakPolarHBondContact CB-O 3.46Å; N95-V110 PolarHBondContact N-O 3.2Å |
| 96 | E | 86.1 | Confident | 85.2 | Confident | 97 Ų | 97 | 75.1 Ų | 75.1 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 135.9 | -179.1 | -171.7 | -177.5 | 173 | 0 | 0 | 109.1 | V109 V110 | E96-V109 CarbonylContact O-C 3.58Å; E96-V109 WeakPolarHBondContact O-CA 3.13Å; E96-V110 HydrophobicContact CB-CB 3.96Å; E96-V110 HydrophobicContact CB-CG2 3.91Å; E96-V110 PolarHBondContact N-O 2.73Å; E96-V110 PolarHBondContact O-N 2.81Å |
| 97 | V | 88.8 | Confident | 85.1 | Confident | 29 Ų | 29 | 70 Ų | 70 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133 | 169.9 | -174.8 | 0 | 0 | 0 | 0 | 106.9 | E81 L94 V109 | E81-V97 HydrophobicContact CG-CB 4.34Å; E81-V97 HydrophobicContact CG-CG1 3.65Å; L94-V97 HydrophobicContact CB-CG2 4.28Å; L94-V97 HydrophobicContact CD1-CG2 3.74Å; V97-V109 HydrophobicContact CG1-CG2 4.3Å |
| 98 | W | 88.1 | Confident | 85.2 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.8 | 178.7 | -179.9 | 89.9 | 0 | 0 | 0 | 108.8 | A100 F106 A107 F108 | W98-A100 HydrophobicContact CH2-CB 3.71Å; W98-A100 HydrophobicContact CZ3-CB 3.77Å; W98-F106 HydrophobicContact CE3-CE2 4.45Å; W98-F106 HydrophobicContact CH2-CD2 4.3Å; W98-F106 AromaticContact CH2-CE2 3.47Å; W98-F106 HydrophobicContact CH2-CE2 3.47Å; W98-F106 VanDerWaalsContact CH2-CE2 3.47Å; W98-F106 AromaticContact CH2-CZ 3.94Å; W98-F106 HydrophobicContact CH2-CZ 3.94Å; W98-F106 AromaticContact CZ3-CD2 3.62Å; W98-F106 HydrophobicContact CZ3-CD2 3.62Å; W98-F106 AromaticContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CZ 4.11Å; W98-A107 CarbonylContact O-C 3.54Å; W98-A107 VanDerWaalsContact O-CA 3.22Å; W98-A107 WeakPolarHBondContact O-CA 3.17Å; W98-A107 WeakPolarHBondContact O-CB 3.39Å; W98-F108 AromaticContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CD2 3.49Å; W98-F108 VanDerWaalsContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CE2 4.21Å; W98-F108 HydrophobicContact CE3-CG 4.49Å; W98-F108 AromaticContact CZ3-CD2 3.67Å; W98-F108 HydrophobicContact CZ3-CD2 3.67Å; W98-F108 AromaticContact CZ3-CE2 3.94Å; W98-F108 HydrophobicContact CZ3-CE2 3.94Å; W98-F108 PolarHBondContact N-O 2.78Å; W98-F108 PolarHBondContact O-N 2.86Å |
| 99 | M | 87.2 | Confident | 85.2 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 21% | 0.207 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.9 | 177.9 | -172.3 | 179.3 | 174.1 | 0 | 0 | 109.7 | I75 L79 A107 | I75-M99 HydrophobicContact CG2-CE 4.2Å; L79-M99 WeakPolarHBondContact O-CE 3.49Å; M99-A107 HydrophobicContact CB-CB 4.4Å; M99-A107 HydrophobicContact CG-CB 4.35Å |
| 100 | A | 82.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | trans | -75.4 | 127.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | W98 Y102 F106 | W98-A100 HydrophobicContact CH2-CB 3.71Å; W98-A100 HydrophobicContact CZ3-CB 3.77Å; A100-Y102 VanDerWaalsContact C-N 3.33Å; A100-F106 HydrophobicContact CB-CD1 3.89Å; A100-F106 HydrophobicContact CB-CD2 3.96Å; A100-F106 HydrophobicContact CB-CE1 3.68Å; A100-F106 HydrophobicContact CB-CE2 3.8Å; A100-F106 HydrophobicContact CB-CG 3.98Å; A100-F106 HydrophobicContact CB-CZ 3.63Å; A100-F106 VanDerWaalsContact CB-O 3.24Å; A100-F106 WeakPolarHBondContact CB-O 3.31Å; A100-F106 PolarHBondContact N-O 3.18Å | ||
| 101 | T | 75.6 | Confident | 85.2 | Confident | 131 Ų | 131 | 57.8 Ų | 57.8 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -83.1 | -10.9 | 179.2 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 102 | Y | 76.4 | Confident | 85.1 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -119.3 | 144.6 | -177.7 | 62 | -89.4 | 0 | 0 | 0 | 110.8 | A100 P104 | A100-Y102 VanDerWaalsContact C-N 3.33Å; Y102-P104 CarbonylContact O-C 3.45Å; Y102-P104 VanDerWaalsContact O-O 3.09Å |
| 103 | A | 74.5 | Confident | 85 | Confident | 72 Ų | 72 | 63 Ų | 63 | 60% | 0.595 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -63.2 | 144.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y105 | A103-Y105 HydrophobicContact CB-CE2 4.38Š|
| 104 | P | 72.8 | Confident | 85 | Confident | 71 Ų | 71 | 61 Ų | 61 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | S | Bend | cis | -68.6 | 134.8 | -2.8 | 29.2 | -33.8 | 0 | 0 | 0 | 110.6 | Y102 F106 | Y102-P104 CarbonylContact O-C 3.45Å; Y102-P104 VanDerWaalsContact O-O 3.09Å; P104-F106 HydrophobicContact CG-CD1 4.45Å; P104-F106 WeakPolarHBondContact O-CD1 3.27Å; P104-F106 WeakPolarHBondContact O-CE1 3.41Å; P104-F106 PolarHBondContact O-N 3.4Å |
| 105 | Y | 82.8 | Confident | 85.1 | Confident | 82 Ų | 82 | 64 Ų | 64 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 120.8 | 179.2 | -57.8 | -79.4 | 0 | 0 | 0 | 109.1 | I75 A103 | I75-Y105 WeakPolarHBondContact O-CB 3.29Å; A103-Y105 HydrophobicContact CB-CE2 4.38Å |
| 106 | F | 87.2 | Confident | 85.2 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | trans | -137.1 | 155.2 | 173.5 | 57.1 | -90.5 | 0 | 0 | 0 | 109.7 | I72 W98 A100 P104 F108 | I72-F106 CarbonylContact O-C 3.58Å; I72-F106 VanDerWaalsContact O-CA 3.28Å; I72-F106 WeakPolarHBondContact O-CA 3.16Å; I72-F106 WeakPolarHBondContact O-CB 3.48Å; W98-F106 HydrophobicContact CE3-CE2 4.45Å; W98-F106 HydrophobicContact CH2-CD2 4.3Å; W98-F106 AromaticContact CH2-CE2 3.47Å; W98-F106 HydrophobicContact CH2-CE2 3.47Å; W98-F106 VanDerWaalsContact CH2-CE2 3.47Å; W98-F106 AromaticContact CH2-CZ 3.94Å; W98-F106 HydrophobicContact CH2-CZ 3.94Å; W98-F106 AromaticContact CZ3-CD2 3.62Å; W98-F106 HydrophobicContact CZ3-CD2 3.62Å; W98-F106 AromaticContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CZ 4.11Å; A100-F106 HydrophobicContact CB-CD1 3.89Å; A100-F106 HydrophobicContact CB-CD2 3.96Å; A100-F106 HydrophobicContact CB-CE1 3.68Å; A100-F106 HydrophobicContact CB-CE2 3.8Å; A100-F106 HydrophobicContact CB-CG 3.98Å; A100-F106 HydrophobicContact CB-CZ 3.63Å; A100-F106 VanDerWaalsContact CB-O 3.24Å; A100-F106 WeakPolarHBondContact CB-O 3.31Å; A100-F106 PolarHBondContact N-O 3.18Å; P104-F106 HydrophobicContact CG-CD1 4.45Å; P104-F106 WeakPolarHBondContact O-CD1 3.27Å; P104-F106 WeakPolarHBondContact O-CE1 3.41Å; P104-F106 PolarHBondContact O-N 3.4Å; F106-F108 HydrophobicContact CD2-CD2 4.07Å; F106-F108 AromaticContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CZ 4.17Å; F106-F108 HydrophobicContact CE2-CD2 4.31Å; F106-F108 AromaticContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CZ 4.36Å | ||
| 107 | A | 89 | Confident | 85.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 158.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I72 I75 L84 W98 M99 | I72-A107 HydrophobicContact CB-CB 4.21Å; I72-A107 HydrophobicContact CD1-CB 4.17Å; I72-A107 PolarHBondContact N-O 2.82Å; I72-A107 PolarHBondContact O-N 3.46Å; I75-A107 HydrophobicContact CD1-CB 3.52Å; I75-A107 VanDerWaalsContact CD1-N 3.34Å; L84-A107 HydrophobicContact CD1-CB 3.49Å; L84-A107 VanDerWaalsContact CD1-CB 3.49Å; W98-A107 CarbonylContact O-C 3.54Å; W98-A107 VanDerWaalsContact O-CA 3.22Å; W98-A107 WeakPolarHBondContact O-CA 3.17Å; W98-A107 WeakPolarHBondContact O-CB 3.39Å; M99-A107 HydrophobicContact CB-CB 4.4Å; M99-A107 HydrophobicContact CG-CB 4.35Å |
| 108 | F | 89.5 | Confident | 85.4 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.7 | 174.1 | -68.2 | -79.2 | 0 | 0 | 0 | 109.8 | R69 V70 H71 W98 F106 A139 | R69-F108 HydrophobicContact CG-CB 4.37Å; R69-F108 HydrophobicContact CG-CD1 4.11Å; R69-F108 VanDerWaalsContact CZ-CD1 3.42Å; R69-F108 VanDerWaalsContact CZ-CG 3.42Å; R69-F108 VanDerWaalsContact NE-CG 3.34Å; R69-F108 VanDerWaalsContact NH2-CE2 3.27Å; V70-F108 VanDerWaalsContact O-CA 3.29Å; V70-F108 WeakPolarHBondContact O-CA 3.44Å; H71-F108 HydrophobicContact CB-CD1 4.05Å; H71-F108 HydrophobicContact CB-CE1 3.81Å; H71-F108 AromaticContact CD2-CE1 3.49Å; H71-F108 VanDerWaalsContact CD2-CE1 3.49Å; H71-F108 WeakPolarHBondContact CD2-CE1 3.17Å; H71-F108 AromaticContact CD2-CZ 3.7Å; W98-F108 AromaticContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CD2 3.49Å; W98-F108 VanDerWaalsContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CE2 4.21Å; W98-F108 HydrophobicContact CE3-CG 4.49Å; W98-F108 AromaticContact CZ3-CD2 3.67Å; W98-F108 HydrophobicContact CZ3-CD2 3.67Å; W98-F108 AromaticContact CZ3-CE2 3.94Å; W98-F108 HydrophobicContact CZ3-CE2 3.94Å; W98-F108 PolarHBondContact N-O 2.78Å; W98-F108 PolarHBondContact O-N 2.86Å; F106-F108 HydrophobicContact CD2-CD2 4.07Å; F106-F108 AromaticContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CZ 4.17Å; F106-F108 HydrophobicContact CE2-CD2 4.31Å; F106-F108 AromaticContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CZ 4.36Å; F108-A139 HydrophobicContact CD1-CB 4.15Å; F108-A139 HydrophobicContact CE1-CB 4.14Å |
| 109 | V | 90 | Very high | 85.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.1 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 108 | R69 V70 I72 F88 L94 E96 V97 F111 | R69-V109 CarbonylContact C-O 3.46Å; R69-V109 WeakPolarHBondContact CA-O 3.18Å; V70-V109 PolarHBondContact N-O 3.13Å; V70-V109 PolarHBondContact O-N 2.84Å; I72-V109 HydrophobicContact CD1-CB 4.49Å; I72-V109 HydrophobicContact CD1-CG2 3.6Å; F88-V109 HydrophobicContact CB-CG1 4.36Å; F88-V109 HydrophobicContact CD2-CG2 4.32Å; F88-V109 HydrophobicContact CG-CG2 4.35Å; L94-V109 HydrophobicContact CD1-CG1 4.28Å; L94-V109 HydrophobicContact CD2-CG1 3.4Å; L94-V109 VanDerWaalsContact CD2-CG1 3.4Å; L94-V109 HydrophobicContact CG-CG1 4.3Å; E96-V109 CarbonylContact O-C 3.58Å; E96-V109 WeakPolarHBondContact O-CA 3.13Å; V97-V109 HydrophobicContact CG1-CG2 4.3Å; V109-F111 HydrophobicContact CB-CE2 4.33Å; V109-F111 HydrophobicContact CG1-CD2 4.07Å; V109-F111 HydrophobicContact CG1-CE2 3.6Å; V109-F111 HydrophobicContact CG1-CZ 3.99Å |
| 110 | V | 89.2 | Confident | 85.7 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | R69 N95 E96 | R69-V110 HydrophobicContact CB-CG2 4.19Å; R69-V110 HydrophobicContact CG-CG2 3.99Å; N95-V110 HydrophobicContact CB-CB 4.3Å; N95-V110 HydrophobicContact CB-CG1 4.1Å; N95-V110 WeakPolarHBondContact CB-O 3.46Å; N95-V110 PolarHBondContact N-O 3.2Å; E96-V110 HydrophobicContact CB-CB 3.96Å; E96-V110 HydrophobicContact CB-CG2 3.91Å; E96-V110 PolarHBondContact N-O 2.73Å; E96-V110 PolarHBondContact O-N 2.81Å |
| 111 | F | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 151.8 | 172.6 | -72.6 | -89 | 0 | 0 | 0 | 111.1 | G67 Y68 V70 F88 F91 L94 V109 D116 A117 A120 | G67-F111 CarbonylContact C-O 3.54Å; G67-F111 WeakPolarHBondContact CA-O 3.39Å; Y68-F111 PolarHBondContact N-O 2.88Å; Y68-F111 PolarHBondContact O-N 2.87Å; V70-F111 HydrophobicContact CB-CE2 4.36Å; V70-F111 HydrophobicContact CG2-CD2 3.77Å; V70-F111 HydrophobicContact CG2-CE2 3.81Å; F88-F111 HydrophobicContact CB-CZ 4.1Å; F88-F111 HydrophobicContact CD1-CE2 4.21Å; F88-F111 AromaticContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CG-CZ 4.47Å; F91-F111 HydrophobicContact CB-CE1 4.35Å; L94-F111 HydrophobicContact CD2-CD1 3.82Å; L94-F111 HydrophobicContact CD2-CE1 3.34Å; L94-F111 HydrophobicContact CD2-CE2 4.28Å; L94-F111 HydrophobicContact CD2-CG 4.46Å; L94-F111 HydrophobicContact CD2-CZ 3.6Å; V109-F111 HydrophobicContact CB-CE2 4.33Å; V109-F111 HydrophobicContact CG1-CD2 4.07Å; V109-F111 HydrophobicContact CG1-CE2 3.6Å; V109-F111 HydrophobicContact CG1-CZ 3.99Å; F111-D116 HydrophobicContact CD1-CB 3.87Å; F111-D116 HydrophobicContact CE1-CB 4.43Å; F111-D116 HydrophobicContact CG-CB 4.48Å; F111-A117 HydrophobicContact CB-CB 3.98Å; F111-A117 HydrophobicContact CD2-CB 3.8Å; F111-A117 HydrophobicContact CG-CB 4.05Å; F111-A120 HydrophobicContact CE1-CB 4.38Å; F111-A120 HydrophobicContact CE2-CB 3.86Å; F111-A120 HydrophobicContact CZ-CB 3.59Å |
| 112 | N | 87 | Confident | 86.8 | Confident | 99 Ų | 99 | 55 Ų | 55 | 53% | 0.529 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -69.9 | -40.2 | 171.1 | -171.1 | 45.2 | 0 | 0 | 0 | 111.8 | Y68 K93 | Y68-N112 WeakPolarHBondContact CD2-O 3.18Å; K93-N112 PolarHBondContact O-N 2.73Å |
| 113 | N | 86.3 | Confident | 87.4 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -107.3 | 152.3 | -174.6 | -58.6 | -39.5 | 0 | 0 | 0 | 112.2 | Y68 D116 A117 | Y68-N113 WeakPolarHBondContact CD2-O 3.48Å; N113-D116 HydrophobicContact CB-CB 4.21Å; N113-D116 WeakPolarHBondContact CB-OD2 3.38Å; N113-D116 PolarHBondContact ND2-OD2 3.15Å; N113-A117 PolarHBondContact O-N 3.47Å |
| 114 | R | 86.5 | Confident | 88.1 | Confident | 130 Ų | 130 | 53.4 Ų | 53.4 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.2 | -44 | 176 | -166.7 | 171.2 | 167.5 | -161.2 | -16.2 | 111.8 | Y68 A117 E118 | Y68-R114 HydrophobicContact CD1-CB 3.76Å; Y68-R114 HydrophobicContact CD1-CG 3.66Å; Y68-R114 HydrophobicContact CD2-CB 4.11Å; Y68-R114 HydrophobicContact CE1-CB 3.39Å; Y68-R114 HydrophobicContact CE1-CG 3.42Å; Y68-R114 VanDerWaalsContact CE1-CG 3.42Å; Y68-R114 HydrophobicContact CE2-CB 3.76Å; Y68-R114 HydrophobicContact CG-CB 4.1Å; Y68-R114 HydrophobicContact CG-CG 4.39Å; R114-A117 WeakPolarHBondContact O-CB 3.41Å; R114-A117 PolarHBondContact O-N 2.98Å; R114-E118 HydrophobicContact CG-CG 4.35Å; R114-E118 IonicContact CZ-OE1 2.75Å; R114-E118 IonicContact NE-OE1 3.1Å; R114-E118 PolarHBondContact NE-OE1 2.86Å; R114-E118 IonicContact NH2-OE1 2.74Å; R114-E118 PolarHBondContact NH2-OE1 3.44Å; R114-E118 PolarHBondContact O-N 3Å |
| 115 | N | 89.5 | Confident | 89 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.8 | -49.7 | -173.2 | -60.6 | -6.3 | 0 | 0 | 0 | 108.9 | A117 E118 D119 | N115-A117 VanDerWaalsContact C-N 3.28Å; N115-A117 PolarHBondContact O-N 3.45Å; N115-E118 CarbonylContact O-C 3.59Å; N115-E118 PolarHBondContact O-N 3.12Å; N115-D119 WeakPolarHBondContact O-CB 2.95Å; N115-D119 PolarHBondContact O-N 2.76Å |
| 116 | D | 90.1 | Very high | 89.2 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.15 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.8 | -42.2 | 175 | -50.1 | 7.9 | 0 | 0 | 0 | 111.9 | F111 N113 A120 | F111-D116 HydrophobicContact CD1-CB 3.87Å; F111-D116 HydrophobicContact CE1-CB 4.43Å; F111-D116 HydrophobicContact CG-CB 4.48Å; N113-D116 HydrophobicContact CB-CB 4.21Å; N113-D116 WeakPolarHBondContact CB-OD2 3.38Å; N113-D116 PolarHBondContact ND2-OD2 3.15Å; D116-A120 WeakPolarHBondContact O-CB 3.34Å; D116-A120 PolarHBondContact O-N 2.83Å |
| 117 | A | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V70 F111 N113 R114 N115 V121 M138 | V70-A117 HydrophobicContact CG2-CB 3.91Å; F111-A117 HydrophobicContact CB-CB 3.98Å; F111-A117 HydrophobicContact CD2-CB 3.8Å; F111-A117 HydrophobicContact CG-CB 4.05Å; N113-A117 PolarHBondContact O-N 3.47Å; R114-A117 WeakPolarHBondContact O-CB 3.41Å; R114-A117 PolarHBondContact O-N 2.98Å; N115-A117 VanDerWaalsContact C-N 3.28Å; N115-A117 PolarHBondContact O-N 3.45Å; A117-V121 WeakPolarHBondContact O-CB 3.38Å; A117-V121 WeakPolarHBondContact O-CG2 3.42Å; A117-V121 PolarHBondContact O-N 2.83Å; A117-M138 VanDerWaalsContact C-CE 3.47Å; A117-M138 HydrophobicContact CB-CE 3.79Å; A117-M138 HydrophobicContact CB-SD 4.42Å |
| 118 | E | 89.9 | Confident | 89.1 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 177.5 | -77.2 | -178.9 | -179.8 | 0 | 0 | 111.9 | R114 N115 R122 M138 | R114-E118 HydrophobicContact CG-CG 4.35Å; R114-E118 IonicContact CZ-OE1 2.75Å; R114-E118 IonicContact NE-OE1 3.1Å; R114-E118 PolarHBondContact NE-OE1 2.86Å; R114-E118 IonicContact NH2-OE1 2.74Å; R114-E118 PolarHBondContact NH2-OE1 3.44Å; R114-E118 PolarHBondContact O-N 3Å; N115-E118 CarbonylContact O-C 3.59Å; N115-E118 PolarHBondContact O-N 3.12Å; E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 VanDerWaalsContact O-CG 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.18Å; E118-R122 PolarHBondContact O-N 2.78Å; E118-R122 PolarHBondContact O-NE 3.25Å; E118-M138 VanDerWaalsContact CA-CE 3.5Å; E118-M138 HydrophobicContact CB-CE 4Å; E118-M138 HydrophobicContact CG-CE 3.26Å |
| 119 | D | 91 | Very high | 88.8 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -50.6 | 172.6 | -70.8 | -36.5 | 0 | 0 | 0 | 110 | F91 N115 V121 R122 Y123 | F91-D119 HydrophobicContact CD1-CB 4.45Å; N115-D119 WeakPolarHBondContact O-CB 2.95Å; N115-D119 PolarHBondContact O-N 2.76Å; D119-V121 VanDerWaalsContact C-N 3.31Å; D119-V121 PolarHBondContact O-N 3.5Å; D119-R122 PolarHBondContact O-N 3.21Å; D119-R122 IonicContact OD1-CZ 2.59Å; D119-R122 VanDerWaalsContact OD1-CZ 3.23Å; D119-R122 IonicContact OD1-NE 3.86Å; D119-R122 IonicContact OD1-NH1 3.23Å; D119-R122 IonicContact OD1-NH2 3.15Å; D119-R122 PolarHBondContact OD1-NH2 3.13Å; D119-Y123 HydrophobicContact CB-CD2 4.24Å; D119-Y123 HydrophobicContact CB-CE2 4.31Å; D119-Y123 WeakPolarHBondContact O-CD2 3.29Å; D119-Y123 PolarHBondContact O-N 3Å |
| 120 | A | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.5 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F88 F91 F111 D116 M124 | F88-A120 HydrophobicContact CD1-CB 4.01Å; F88-A120 HydrophobicContact CE1-CB 4.25Å; F91-A120 HydrophobicContact CB-CB 4Å; F91-A120 HydrophobicContact CD2-CB 3.77Å; F91-A120 HydrophobicContact CE2-CB 4.38Å; F91-A120 HydrophobicContact CG-CB 3.84Å; F111-A120 HydrophobicContact CE1-CB 4.38Å; F111-A120 HydrophobicContact CE2-CB 3.86Å; F111-A120 HydrophobicContact CZ-CB 3.59Å; D116-A120 WeakPolarHBondContact O-CB 3.34Å; D116-A120 PolarHBondContact O-N 2.83Å; A120-M124 WeakPolarHBondContact O-CA 3.13Å; A120-M124 WeakPolarHBondContact O-CB 3.22Å; A120-M124 WeakPolarHBondContact O-CG 3.36Å; A120-M124 PolarHBondContact O-N 2.86Å |
| 121 | V | 90.9 | Very high | 88.1 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V70 A117 D119 N125 V136 M138 | V70-V121 HydrophobicContact CB-CG2 4.47Å; V70-V121 HydrophobicContact CG1-CG2 3.82Å; V70-V121 HydrophobicContact CG2-CG2 3.88Å; A117-V121 WeakPolarHBondContact O-CB 3.38Å; A117-V121 WeakPolarHBondContact O-CG2 3.42Å; A117-V121 PolarHBondContact O-N 2.83Å; D119-V121 VanDerWaalsContact C-N 3.31Å; D119-V121 PolarHBondContact O-N 3.5Å; V121-N125 WeakPolarHBondContact O-CB 3.26Å; V121-N125 PolarHBondContact O-N 3.44Å; V121-N125 VanDerWaalsContact O-N 3.15Å; V121-V136 HydrophobicContact CB-CG1 4.41Å; V121-V136 HydrophobicContact CG2-CG1 4Å; V121-M138 HydrophobicContact CG2-CE 4.13Å; V121-M138 HydrophobicContact CG2-CG 4.24Å; V121-M138 HydrophobicContact CG2-SD 4.29Å |
| 122 | R | 90.5 | Very high | 87.8 | Confident | 158 Ų | 158 | 68.7 Ų | 68.7 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | -178.9 | -79.6 | 179.5 | -76.5 | 169.2 | -5.9 | 112.9 | E118 D119 | E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 VanDerWaalsContact O-CG 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.18Å; E118-R122 PolarHBondContact O-N 2.78Å; E118-R122 PolarHBondContact O-NE 3.25Å; D119-R122 PolarHBondContact O-N 3.21Å; D119-R122 IonicContact OD1-CZ 2.59Å; D119-R122 VanDerWaalsContact OD1-CZ 3.23Å; D119-R122 IonicContact OD1-NE 3.86Å; D119-R122 IonicContact OD1-NH1 3.23Å; D119-R122 IonicContact OD1-NH2 3.15Å; D119-R122 PolarHBondContact OD1-NH2 3.13Å |
| 123 | Y | 90 | Very high | 87.8 | Confident | 162 Ų | 162 | 69.5 Ų | 69.5 | 64% | 0.635 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -86 | -34.6 | -175.7 | -71.7 | -72 | 0 | 0 | 0 | 113.5 | F91 D119 | F91-Y123 HydrophobicContact CD1-CD2 4.27Å; F91-Y123 VanDerWaalsContact CE1-CB 3.47Å; F91-Y123 AromaticContact CE1-CD2 3.67Å; F91-Y123 HydrophobicContact CE1-CD2 3.67Å; F91-Y123 AromaticContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CZ-CG 4.4Å; D119-Y123 HydrophobicContact CB-CD2 4.24Å; D119-Y123 HydrophobicContact CB-CE2 4.31Å; D119-Y123 WeakPolarHBondContact O-CD2 3.29Å; D119-Y123 PolarHBondContact O-N 3Å |
| 124 | M | 89.4 | Confident | 88 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -89.7 | -18.7 | -177.1 | -62.4 | -63.1 | -67.3 | 0 | 0 | 113.5 | A87 F88 F91 A120 G126 S127 V129 L134 V136 | A87-M124 HydrophobicContact CB-CE 3.79Å; F88-M124 HydrophobicContact CD1-CG 4.27Å; F88-M124 HydrophobicContact CE1-CB 3.91Å; F88-M124 HydrophobicContact CE1-CG 3.81Å; F88-M124 HydrophobicContact CE2-CE 4.29Å; F88-M124 HydrophobicContact CZ-CB 3.93Å; F88-M124 HydrophobicContact CZ-CE 4.38Å; F88-M124 HydrophobicContact CZ-CG 4.07Å; F91-M124 HydrophobicContact CD2-CG 4.25Å; F91-M124 HydrophobicContact CE2-CG 3.23Å; F91-M124 HydrophobicContact CE2-SD 3.52Å; F91-M124 VanDerWaalsContact CE2-SD 3.52Å; F91-M124 HydrophobicContact CZ-CG 3.59Å; F91-M124 HydrophobicContact CZ-SD 3.74Å; A120-M124 WeakPolarHBondContact O-CA 3.13Å; A120-M124 WeakPolarHBondContact O-CB 3.22Å; A120-M124 WeakPolarHBondContact O-CG 3.36Å; A120-M124 PolarHBondContact O-N 2.86Å; M124-G126 PolarHBondContact O-N 2.75Å; M124-G126 VanDerWaalsContact O-N 3.12Å; M124-S127 VanDerWaalsContact CA-OG 3.31Å; M124-S127 WeakPolarHBondContact CA-OG 3.44Å; M124-S127 WeakPolarHBondContact CE-OG 3.11Å; M124-S127 WeakPolarHBondContact O-CB 3.42Å; M124-S127 PolarHBondContact O-N 2.97Å; M124-S127 PolarHBondContact O-OG 3.23Å; M124-V129 HydrophobicContact CE-CG2 3.71Å; M124-L134 HydrophobicContact CE-CD1 3.99Å; M124-V136 HydrophobicContact CB-CB 4.49Å; M124-V136 HydrophobicContact CB-CG2 3.84Å |
| 125 | N | 90.4 | Very high | 88.1 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 114.7 | 176.7 | -177 | 33.6 | 0 | 0 | 0 | 110.5 | V121 S127 V136 | V121-N125 WeakPolarHBondContact O-CB 3.26Å; V121-N125 PolarHBondContact O-N 3.44Å; V121-N125 VanDerWaalsContact O-N 3.15Å; N125-S127 VanDerWaalsContact C-N 3.31Å; N125-V136 HydrophobicContact CB-CB 4.04Å; N125-V136 PolarHBondContact OD1-N 2.74Å; N125-V136 PolarHBondContact OD1-O 3.26Å |
| 126 | G | 87.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 3.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M124 L134 | M124-G126 PolarHBondContact O-N 2.75Å; M124-G126 VanDerWaalsContact O-N 3.12Å; G126-L134 WeakPolarHBondContact CA-O 3.32Å; G126-L134 PolarHBondContact N-O 3.21Å |
| 127 | S | 88.1 | Confident | 88.1 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | trans | -74.4 | 152.7 | 172.7 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | M124 N125 L134 | M124-S127 VanDerWaalsContact CA-OG 3.31Å; M124-S127 WeakPolarHBondContact CA-OG 3.44Å; M124-S127 WeakPolarHBondContact CE-OG 3.11Å; M124-S127 WeakPolarHBondContact O-CB 3.42Å; M124-S127 PolarHBondContact O-N 2.97Å; M124-S127 PolarHBondContact O-OG 3.23Å; N125-S127 VanDerWaalsContact C-N 3.31Å; S127-L134 PolarHBondContact O-N 3.11Å | ||
| 128 | Y | 86.2 | Confident | 88 | Confident | 154 Ų | 154 | 66.4 Ų | 66.4 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.4 | 173.7 | -68.6 | -96.2 | 0 | 0 | 0 | 109.4 | C132 K133 | Y128-C132 WeakPolarHBondContact CA-O 3.43Å; Y128-K133 HydrophobicContact CD1-CB 4.11Å; Y128-K133 HydrophobicContact CE1-CB 3.77Å; Y128-K133 HydrophobicContact CE1-CG 4.34Å; Y128-K133 HydrophobicContact CE2-CD 4.42Å; Y128-K133 HydrophobicContact CE2-CG 4.39Å |
| 129 | V | 82.9 | Confident | 87.5 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112.5 | 167.7 | -175.6 | 0 | 0 | 0 | 0 | 106 | L79 D83 A87 M124 D131 C132 L134 | L79-V129 HydrophobicContact CD2-CB 3.91Å; L79-V129 HydrophobicContact CD2-CG1 3.51Å; D83-V129 HydrophobicContact CB-CG1 4.33Å; A87-V129 HydrophobicContact CB-CG2 4.28Å; M124-V129 HydrophobicContact CE-CG2 3.71Å; V129-D131 PolarHBondContact O-N 3.39Å; V129-C132 PolarHBondContact N-O 2.79Å; V129-C132 PolarHBondContact O-N 2.96Å; V129-L134 HydrophobicContact CB-CD1 4.09Å; V129-L134 HydrophobicContact CB-CG 4.37Å; V129-L134 HydrophobicContact CG2-CD1 3.39Å; V129-L134 HydrophobicContact CG2-CG 4.03Å |
| 130 | G | 82.4 | Confident | 86.4 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | -132 | -160.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | C132 | G130-C132 VanDerWaalsContact C-N 3.34Š|
| 131 | D | 82.6 | Confident | 85 | Confident | 160 Ų | 160 | 72.2 Ų | 72.2 | 86% | 0.856 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3 | 178.4 | -58.6 | -64.2 | 0 | 0 | 0 | 113.6 | V129 | V129-D131 PolarHBondContact O-N 3.39Š|
| 132 | C | 82.2 | Confident | 83.4 | Confident | 13 Ų | 13 | 79.9 Ų | 79.9 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127 | -171.7 | -62.6 | 0 | 0 | 0 | 0 | 112 | D76 L79 Y128 V129 G130 L134 | D76-C132 WeakPolarHBondContact CB-SG 3.4Å; L79-C132 HydrophobicContact CD1-CB 3.49Å; L79-C132 VanDerWaalsContact CD1-CB 3.49Å; L79-C132 HydrophobicContact CG-CB 4.13Å; Y128-C132 WeakPolarHBondContact CA-O 3.43Å; V129-C132 PolarHBondContact N-O 2.79Å; V129-C132 PolarHBondContact O-N 2.96Å; G130-C132 VanDerWaalsContact C-N 3.34Å; C132-L134 PolarHBondContact O-N 3.15Å |
| 133 | K | 88.1 | Confident | 81.5 | Confident | 115 Ų | 115 | 82.9 Ų | 82.9 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 108.9 | 173.6 | -171.9 | 177.9 | -174.4 | 169.8 | 0 | 110.8 | Y128 | Y128-K133 HydrophobicContact CD1-CB 4.11Å; Y128-K133 HydrophobicContact CE1-CB 3.77Å; Y128-K133 HydrophobicContact CE1-CG 4.34Å; Y128-K133 HydrophobicContact CE2-CD 4.42Å; Y128-K133 HydrophobicContact CE2-CG 4.39Å |
| 134 | L | 90 | Very high | 79.6 | Confident | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | trans | -74.7 | 134.3 | -177.9 | -60.5 | -173.2 | 0 | 0 | 0 | 112.2 | I72 I75 L79 L84 F88 M124 G126 S127 V129 C132 V136 | I72-L134 HydrophobicContact CG2-CB 4.38Å; I72-L134 HydrophobicContact CG2-CD1 4.39Å; I72-L134 HydrophobicContact CG2-CD2 4.04Å; I75-L134 HydrophobicContact CG1-CD2 4.39Å; L79-L134 HydrophobicContact CD1-CD2 3.56Å; L84-L134 HydrophobicContact CD2-CD1 4.05Å; L84-L134 HydrophobicContact CD2-CD2 4.37Å; F88-L134 HydrophobicContact CE2-CD1 4.25Å; M124-L134 HydrophobicContact CE-CD1 3.99Å; G126-L134 WeakPolarHBondContact CA-O 3.32Å; G126-L134 PolarHBondContact N-O 3.21Å; S127-L134 PolarHBondContact O-N 3.11Å; V129-L134 HydrophobicContact CB-CD1 4.09Å; V129-L134 HydrophobicContact CB-CG 4.37Å; V129-L134 HydrophobicContact CG2-CD1 3.39Å; V129-L134 HydrophobicContact CG2-CG 4.03Å; C132-L134 PolarHBondContact O-N 3.15Å; L134-V136 HydrophobicContact CB-CG2 4.01Å | ||
| 135 | R | 88.8 | Confident | 77.7 | Confident | 139 Ų | 139 | 87.9 Ų | 87.9 | 53% | 0.525 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.2 | 166.5 | -168.7 | 170.1 | 101.5 | -142.9 | 14.5 | 110.8 | I72 G73 D74 | I72-R135 CarbonylContact C-O 3.53Å; I72-R135 WeakPolarHBondContact CA-O 3.49Å; G73-R135 PolarHBondContact N-O 3.14Å; G73-R135 PolarHBondContact O-N 2.84Å; D74-R135 HydrophobicContact CB-CB 4.14Å; D74-R135 IonicContact OD1-NH1 3.74Å; D74-R135 WeakPolarHBondContact OD2-CB 3.28Å; D74-R135 VanDerWaalsContact OD2-CD 3.32Å; D74-R135 WeakPolarHBondContact OD2-CD 3.24Å; D74-R135 IonicContact OD2-CZ 3.74Å; D74-R135 IonicContact OD2-NE 3.82Å; D74-R135 IonicContact OD2-NH1 2.94Å; D74-R135 PolarHBondContact OD2-NH1 3.37Å |
| 136 | V | 91.2 | Very high | 75.5 | Confident | 3 Ų | 3 | 90 Ų | 90 | 2% | 0.018 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.6 | -172.2 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | V70 H71 I72 F88 V121 M124 N125 L134 | V70-V136 HydrophobicContact CG1-CG1 3.26Å; H71-V136 CarbonylContact O-C 3.57Å; H71-V136 WeakPolarHBondContact O-CA 3.46Å; I72-V136 HydrophobicContact CG1-CG1 4.48Å; I72-V136 HydrophobicContact CG1-CG2 4.47Å; I72-V136 HydrophobicContact CG2-CG2 4.44Å; F88-V136 HydrophobicContact CE1-CG1 4.11Å; F88-V136 HydrophobicContact CZ-CG1 4.2Å; F88-V136 HydrophobicContact CZ-CG2 3.96Å; V121-V136 HydrophobicContact CB-CG1 4.41Å; V121-V136 HydrophobicContact CG2-CG1 4Å; M124-V136 HydrophobicContact CB-CB 4.49Å; M124-V136 HydrophobicContact CB-CG2 3.84Å; N125-V136 HydrophobicContact CB-CB 4.04Å; N125-V136 PolarHBondContact OD1-N 2.74Å; N125-V136 PolarHBondContact OD1-O 3.26Å; L134-V136 HydrophobicContact CB-CG2 4.01Å |
| 137 | S | 89.2 | Confident | 73.6 | Confident | 48 Ų | 48 | 98.1 Ų | 98.1 | 34% | 0.336 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.8 | 178.8 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | H71 A139 | H71-S137 PolarHBondContact N-O 3.24Å; H71-S137 PolarHBondContact O-N 2.77Å; S137-A139 PolarHBondContact O-N 2.72Å |
| 138 | M | 86.2 | Confident | 71.5 | Confident | 77 Ų | 77 | 107.8 Ų | 107.8 | 38% | 0.379 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 121.6 | 171.8 | -80.3 | -68.2 | 179.4 | 0 | 0 | 109.8 | A117 E118 V121 L140 | A117-M138 VanDerWaalsContact C-CE 3.47Å; A117-M138 HydrophobicContact CB-CE 3.79Å; A117-M138 HydrophobicContact CB-SD 4.42Å; E118-M138 VanDerWaalsContact CA-CE 3.5Å; E118-M138 HydrophobicContact CB-CE 4Å; E118-M138 HydrophobicContact CG-CE 3.26Å; V121-M138 HydrophobicContact CG2-CE 4.13Å; V121-M138 HydrophobicContact CG2-CG 4.24Å; V121-M138 HydrophobicContact CG2-SD 4.29Å; M138-L140 PolarHBondContact O-N 3.1Å |
| 139 | A | 79.7 | Confident | 69.5 | Low | 17 Ų | 17 | 108.5 Ų | 108.5 | 14% | 0.14 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -68 | 137.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R69 H71 F108 S137 | R69-A139 HydrophobicContact CB-CB 3.81Å; R69-A139 HydrophobicContact CG-CB 3.58Å; R69-A139 WeakPolarHBondContact O-CB 3Å; R69-A139 PolarHBondContact O-N 2.71Å; H71-A139 HydrophobicContact CB-CB 4.03Å; F108-A139 HydrophobicContact CD1-CB 4.15Å; F108-A139 HydrophobicContact CE1-CB 4.14Å; S137-A139 PolarHBondContact O-N 2.72Å |
| 140 | L | 67.9 | Low | 67.7 | Low | 140 Ų | 140 | 111.6 Ų | 111.6 | 73% | 0.733 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 136.2 | 168.8 | -65.2 | 172 | 0 | 0 | 0 | 108 | M138 R142 | M138-L140 PolarHBondContact O-N 3.1Å; L140-R142 PolarHBondContact O-N 2.94Å |
| 141 | P | 61.4 | Low | 66.2 | Low | 74 Ų | 74 | 119.1 Ų | 119.1 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 136 | 176.2 | 23.6 | -33.1 | 0 | 0 | 0 | 107.4 | R143 | P141-R143 VanDerWaalsContact C-N 3.33Å; P141-R143 PolarHBondContact O-N 2.99Å |
| 142 | R | 56.1 | Low | 64.9 | Low | 184 Ų | 184 | 122 Ų | 122 | 69% | 0.694 | 54% | 0.542 | S | S | * | . | trans | -48.4 | 106.3 | 173.9 | -71.6 | -178.3 | 92.9 | 134 | 1.2 | 105.7 | L140 R144 | L140-R142 PolarHBondContact O-N 2.94Å; R142-R144 PolarHBondContact O-N 2.81Å | ||
| 143 | R | 51.7 | Low | 63 | Low | 222 Ų | 222 | 130.8 Ų | 130.8 | 84% | 0.838 | 57% | 0.574 | S | S | * | * | trans | -64.2 | 99 | 176.2 | -76.2 | -170.3 | 168.8 | -169.3 | -0.8 | 103.2 | P141 A145 | P141-R143 VanDerWaalsContact C-N 3.33Å; P141-R143 PolarHBondContact O-N 2.99Å; R143-A145 PolarHBondContact O-N 2.73Å | ||
| 144 | R | 49.9 | Very low | 61.4 | Low | 183 Ų | 183 | 130.1 Ų | 130.1 | 69% | 0.691 | 58% | 0.581 | S | S | * | * | trans | -52.7 | 119.3 | 158.5 | -71.3 | -150.5 | -177.8 | -164.3 | 4.5 | 103.6 | R142 N146 | R142-R144 PolarHBondContact O-N 2.81Å; R144-N146 HydrophobicContact CB-CB 4.37Å; R144-N146 PolarHBondContact O-N 3.38Å | ||
| 145 | A | 49.3 | Very low | 59.6 | Low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -61.8 | 25.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R143 R147 | R143-A145 PolarHBondContact O-N 2.73Å; A145-R147 PolarHBondContact O-N 3.07Å |
| 146 | N | 44.6 | Very low | 57.6 | Low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 48.2 | 179.1 | -71.9 | -11.8 | 0 | 0 | 0 | 111.2 | R144 | R144-N146 HydrophobicContact CB-CB 4.37Å; R144-N146 PolarHBondContact O-N 3.38Å |
| 147 | R | 46.5 | Very low | 55.2 | Low | 199 Ų | 199 | 148.1 Ų | 148.1 | 75% | 0.751 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 20.2 | 167 | -79.7 | -153.4 | -85.1 | 170.8 | -7.5 | 115 | A145 F149 D150 | A145-R147 PolarHBondContact O-N 3.07Å; R147-F149 PolarHBondContact O-N 2.98Å; R147-D150 PolarHBondContact O-N 3.05Å |
| 148 | Y | 45.1 | Very low | 53 | Low | 231 Ų | 231 | 152.4 Ų | 152.4 | 91% | 0.906 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 5.7 | 157 | -85.8 | -80 | 0 | 0 | 0 | 113.8 | ||
| 149 | F | 44.5 | Very low | 50.7 | Low | 169 Ų | 169 | 155.9 Ų | 155.9 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | 51.3 | 171.3 | -116.6 | -89.8 | 0 | 0 | 0 | 110.4 | R147 R151 | R147-F149 PolarHBondContact O-N 2.98Å; F149-R151 HydrophobicContact CD1-CG 3.8Å; F149-R151 HydrophobicContact CE1-CG 4.45Å; F149-R151 PolarHBondContact O-N 2.82Å |
| 150 | D | 45.1 | Very low | 48.9 | Very low | 87 Ų | 87 | 164.9 Ų | 164.9 | 47% | 0.465 | 74% | 0.741 | S | S | . | * | trans | -62.9 | 93.4 | 154.6 | -165.8 | -25.8 | 0 | 0 | 0 | 107.3 | R147 R152 Y153 | R147-D150 PolarHBondContact O-N 3.05Å; D150-R152 PolarHBondContact O-N 3.45Å; D150-R152 VanDerWaalsContact OD1-CB 3.25Å; D150-R152 WeakPolarHBondContact OD1-CB 3.25Å; D150-R152 PolarHBondContact OD1-N 3.01Å; D150-Y153 PolarHBondContact O-N 2.86Å | ||
| 151 | R | 51.3 | Low | 47.6 | Very low | 224 Ų | 224 | 170 Ų | 170 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 6 | 175.7 | -69.4 | 177.4 | -168.7 | 174.5 | 2.4 | 113.1 | F149 | F149-R151 HydrophobicContact CD1-CG 3.8Å; F149-R151 HydrophobicContact CE1-CG 4.45Å; F149-R151 PolarHBondContact O-N 2.82Å |
| 152 | R | 54.4 | Low | 46.6 | Very low | 222 Ų | 222 | 176 Ų | 176 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 7.7 | 172.6 | -59.7 | -164.8 | 174.1 | -153.6 | -0.4 | 114.7 | D150 | D150-R152 PolarHBondContact O-N 3.45Å; D150-R152 VanDerWaalsContact OD1-CB 3.25Å; D150-R152 WeakPolarHBondContact OD1-CB 3.25Å; D150-R152 PolarHBondContact OD1-N 3.01Å |
| 153 | Y | 41.4 | Very low | 45.7 | Very low | 197 Ų | 197 | 170.8 Ų | 170.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -145.1 | 99 | 169.5 | -130.1 | -99.1 | 0 | 0 | 0 | 110.4 | D150 | D150-Y153 PolarHBondContact O-N 2.86Š| ||
| 154 | P | 55 | Low | 45.2 | Very low | 100 Ų | 100 | 161.8 Ų | 161.8 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | -62.7 | 133.9 | 169.8 | 27.2 | -31.7 | 0 | 0 | 0 | 107.8 | R156 | P154-R156 VanDerWaalsContact C-N 3.28Å; P154-R156 PolarHBondContact O-N 3.35Å | ||
| 155 | P | 52.9 | Low | 44.8 | Very low | 118 Ų | 118 | 163.1 Ų | 163.1 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -61.9 | 98.5 | 170.3 | 25 | -30 | 0 | 0 | 0 | 107.6 | ||||
| 156 | R | 47.4 | Very low | 44.2 | Very low | 209 Ų | 209 | 161.9 Ų | 161.9 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | trans | -57.3 | 140.5 | 147.2 | -58.9 | -158.2 | 179.6 | -157.1 | 2.2 | 104.7 | P154 | P154-R156 VanDerWaalsContact C-N 3.28Å; P154-R156 PolarHBondContact O-N 3.35Å | ||
| 157 | F | 40 | Very low | 43.9 | Very low | 195 Ų | 195 | 166 Ų | 166 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | 91.4 | 74.1 | -170.8 | -46.6 | -69.7 | 0 | 0 | 0 | 114.9 | ||||
| 158 | N | 41.9 | Very low | 43.5 | Very low | 138 Ų | 138 | 160.2 Ų | 160.2 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | -163.4 | 77.5 | 110.3 | -130.9 | 14.8 | 0 | 0 | 0 | 111.1 | Y160 | N158-Y160 PolarHBondContact O-N 3.1Š| |||
| 159 | N | 39.1 | Very low | 43.2 | Very low | 150 Ų | 150 | 153.5 Ų | 153.5 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -86.9 | 37.6 | 165.5 | -91.6 | -37.7 | 0 | 0 | 0 | 111.3 | ||||
| 160 | Y | 41.6 | Very low | 42.8 | Very low | 205 Ų | 205 | 149 Ų | 149 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -114 | 58.6 | 176.5 | -78.7 | -83.5 | 0 | 0 | 0 | 111.1 | N158 | N158-Y160 PolarHBondContact O-N 3.1Š| ||
| 161 | R | 41.6 | Very low | 42.3 | Very low | 249 Ų | 249 | 148.8 Ų | 148.8 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | trans | -171.3 | 35.3 | 146.5 | -111.2 | -173.2 | -164.8 | -131.7 | 5.9 | 112.8 | G163 | R161-G163 PolarHBondContact O-N 2.93Š| ||
| 162 | R | 38.8 | Very low | 41.5 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -76.2 | 76.4 | 162.8 | -170.9 | -175.3 | -179.6 | -134.5 | -0.9 | 108.5 | G164 | R162-G164 PolarHBondContact NH2-O 2.92Å; R162-G164 PolarHBondContact O-N 3.49Å | ||
| 163 | G | 38.4 | Very low | 40.7 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -70.1 | 99.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | R161 | R161-G163 PolarHBondContact O-N 2.93Š| ||
| 164 | G | 40.3 | Very low | 40.2 | Very low | 34 Ų | 34 | 133.2 Ų | 133.2 | 35% | 0.351 | 77% | 0.766 | S | S | . | * | trans | 170 | 45.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R162 G166 | R162-G164 PolarHBondContact NH2-O 2.92Å; R162-G164 PolarHBondContact O-N 3.49Å; G164-G166 PolarHBondContact O-N 3.02Å | ||
| 165 | Y | 41.5 | Very low | 39.1 | Very low | 210 Ų | 210 | 138 Ų | 138 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -82.5 | 91.4 | 157.7 | 39.7 | -86 | 0 | 0 | 0 | 107.2 | ||||
| 166 | G | 37 | Very low | 38.4 | Very low | 61 Ų | 61 | 135.5 Ų | 135.5 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -74.5 | 120 | 136.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | G164 | G164-G166 PolarHBondContact O-N 3.02Š| ||
| 167 | F | 37.2 | Very low | 37.9 | Very low | 215 Ų | 215 | 131.2 Ų | 131.2 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 49.8 | 127.6 | 151.5 | -72.7 | -92.5 | 0 | 0 | 0 | 121.5 | ||
| 168 | G | 39.3 | Very low | 38 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 93.8 | 103.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 169 | G | 38.5 | Very low | 37.6 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 92% | 0.918 | 76% | 0.761 | S | S | * | * | 78.9 | 120.5 | 65.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 170 | G | 35.7 | Very low | 37.6 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | cis | 174.5 | 161 | 5.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 171 | G | 34.7 | Very low | 37.6 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 73.8 | 120 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 172 | G | 35 | Very low | 37.4 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | cis | 93.9 | 105.1 | 48.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 173 | G | 37.2 | Very low | 37.4 | Very low | 54 Ų | 54 | 121.1 Ų | 121.1 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | trans | 149.7 | 83 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 174 | Y | 30.7 | Very low | 37.4 | Very low | 178 Ų | 178 | 121.5 Ų | 121.5 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | 51 | 140.5 | 111.3 | 62.5 | -128 | 0 | 0 | 0 | 124.7 | |||||
| 175 | Y | 32.3 | Very low | 37.4 | Very low | 199 Ų | 199 | 124 Ų | 124 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 35.6 | 121.6 | 157.2 | 23.3 | -101.6 | 0 | 0 | 0 | 120.7 | ||||
| 176 | G | 39.2 | Very low | 37.2 | Very low | 67 Ų | 67 | 117.8 Ų | 117.8 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -174.5 | 69.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 177 | N | 37 | Very low | 37.4 | Very low | 119 Ų | 119 | 118.7 Ų | 118.7 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -57 | 132.4 | 164.6 | -86.4 | -54.9 | 0 | 0 | 0 | 111.2 | Y179 | N177-Y179 HydrophobicContact CB-CD1 3.71Å; N177-Y179 HydrophobicContact CB-CE1 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CE1 2.83Å | ||
| 178 | F | 41.4 | Very low | 37.6 | Very low | 206 Ų | 206 | 110.5 Ų | 110.5 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -134.4 | 74.8 | 152.1 | -68.5 | -78.5 | 0 | 0 | 0 | 107.7 | ||||
| 179 | Y | 33.3 | Very low | 37.2 | Very low | 176 Ų | 176 | 117.6 Ų | 117.6 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | trans | -72.4 | 115.8 | 146.7 | 41.9 | -97.7 | 0 | 0 | 0 | 105.9 | N177 | N177-Y179 HydrophobicContact CB-CD1 3.71Å; N177-Y179 HydrophobicContact CB-CE1 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CE1 2.83Å | ||
| 180 | D | 39.9 | Very low | 37.1 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -165.4 | 146.5 | 139.9 | -144.2 | -88.7 | 0 | 0 | 0 | 109.9 | ||||
| 181 | R | 40.1 | Very low | 37.3 | Very low | 230 Ų | 230 | 126.6 Ų | 126.6 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | 79.2 | 74 | 168.8 | -158.8 | 169.4 | -92.5 | -166.4 | -9.7 | 117.7 | ||||
| 182 | G | 37.1 | Very low | 37.8 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 96.3 | 125.4 | 99.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 183 | G | 40.3 | Very low | 37.9 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 92.3 | 110.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 184 | G | 37.2 | Very low | 37.9 | Very low | 82 Ų | 82 | 146.1 Ų | 146.1 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | cis | 111.7 | 113.2 | 31.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 185 | G | 40.4 | Very low | 38.3 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 90.4 | 124.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 186 | G | 37.5 | Very low | 38.8 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | cis | 129.9 | 120.4 | 18 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 187 | G | 41.3 | Very low | 39 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 79.4 | 138.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 188 | G | 40.9 | Very low | 39.1 | Very low | 44 Ų | 44 | 141.5 Ų | 141.5 | 45% | 0.454 | 76% | 0.758 | S | S | . | * | cis | -174.9 | 135.2 | 4.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 189 | Y | 30.9 | Very low | 39.3 | Very low | 227 Ų | 227 | 141.6 Ų | 141.6 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | 27.3 | 92 | 137.3 | -32.2 | -79.5 | 0 | 0 | 0 | 118 | ||||
| 190 | Y | 37.1 | Very low | 39.8 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | -133.4 | 121.2 | 128.9 | 8.7 | -87.1 | 0 | 0 | 0 | 107.4 | R192 | Y190-R192 PolarHBondContact O-N 2.69Š| |||
| 191 | D | 38.7 | Very low | 40 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -59.3 | 128.9 | -172.3 | -166.2 | -113.2 | 0 | 0 | 0 | 111 | R193 | D191-R193 PolarHBondContact O-N 3.49Å; D191-R193 WeakPolarHBondContact OD1-CB 3.05Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 192 | R | 45.3 | Very low | 40.1 | Very low | 244 Ų | 244 | 137.8 Ų | 137.8 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -74.3 | 30.5 | -175.9 | -102.1 | -175.4 | -94.8 | 170.4 | -7 | 112.6 | Y190 | Y190-R192 PolarHBondContact O-N 2.69Š|
| 193 | R | 38.1 | Very low | 40.5 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -113.1 | 28.6 | -169.7 | -61.9 | -69.2 | -173.1 | 169.2 | 2.9 | 116 | D191 D195 | D191-R193 PolarHBondContact O-N 3.49Å; D191-R193 WeakPolarHBondContact OD1-CB 3.05Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å; R193-D195 PolarHBondContact O-N 3.46Å | ||
| 194 | Y | 36.4 | Very low | 40.8 | Very low | 214 Ų | 214 | 141.4 Ų | 141.4 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -77.1 | 69.8 | 143.2 | -94.4 | -86.1 | 0 | 0 | 0 | 108.5 | S196 | Y194-S196 PolarHBondContact O-N 2.8Š|
| 195 | D | 40.1 | Very low | 41.1 | Very low | 65 Ų | 65 | 149.1 Ų | 149.1 | 35% | 0.348 | 76% | 0.759 | S | S | . | * | trans | -59.5 | 96.7 | 175 | -167 | -107.1 | 0 | 0 | 0 | 108.4 | R193 R197 | R193-D195 PolarHBondContact O-N 3.46Å; D195-R197 PolarHBondContact O-N 2.96Å; D195-R197 WeakPolarHBondContact OD1-CG 3.46Å; D195-R197 IonicContact OD1-CZ 3.53Å; D195-R197 IonicContact OD1-NE 2.8Å; D195-R197 PolarHBondContact OD1-NE 2.78Å; D195-R197 IonicContact OD1-NH2 3.46Å; D195-R197 PolarHBondContact OD1-NH2 3.34Å | ||
| 196 | S | 42.3 | Very low | 41.5 | Very low | 73 Ų | 73 | 154.6 Ų | 154.6 | 51% | 0.51 | 76% | 0.759 | S | S | . | * | S | Bend | 43.5 | 13 | 121.3 | -58.3 | 0 | 0 | 0 | 0 | 121.1 | Y194 | Y194-S196 PolarHBondContact O-N 2.8Š| |
| 197 | R | 43.4 | Very low | 41.6 | Very low | 208 Ų | 208 | 158.7 Ų | 158.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -109.5 | 10.3 | -171.4 | -64 | -171.2 | -162.9 | 178.4 | 1.7 | 117.2 | D195 | D195-R197 PolarHBondContact O-N 2.96Å; D195-R197 WeakPolarHBondContact OD1-CG 3.46Å; D195-R197 IonicContact OD1-CZ 3.53Å; D195-R197 IonicContact OD1-NE 2.8Å; D195-R197 PolarHBondContact OD1-NE 2.78Å; D195-R197 IonicContact OD1-NH2 3.46Å; D195-R197 PolarHBondContact OD1-NH2 3.34Å | ||
| 198 | N | 40 | Very low | 41.6 | Very low | 120 Ų | 120 | 162.2 Ų | 162.2 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | trans | -119.6 | 35.2 | 168.4 | -93.1 | -12 | 0 | 0 | 0 | 113.4 | L200 | N198-L200 PolarHBondContact O-N 3.45Å; N198-L200 VanDerWaalsContact O-N 3.1Å | ||
| 199 | R | 45.5 | Very low | 41.7 | Very low | 207 Ų | 207 | 168.5 Ų | 168.5 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 28.9 | 170.4 | -64 | -164.9 | -153.8 | 172.2 | 8.5 | 114.1 | ||
| 200 | L | 42.6 | Very low | 42.3 | Very low | 160 Ų | 160 | 163.4 Ų | 163.4 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | -1.8 | -176.4 | -102.4 | 164.7 | 0 | 0 | 0 | 115.5 | N198 | N198-L200 PolarHBondContact O-N 3.45Å; N198-L200 VanDerWaalsContact O-N 3.1Å |
| 201 | L | 45.5 | Very low | 42.6 | Very low | 159 Ų | 159 | 161.4 Ų | 161.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -131.6 | 15.4 | 179.5 | -66 | 173.4 | 0 | 0 | 0 | 114.3 | ||
| 202 | D | 42.2 | Very low | 42.7 | Very low | 158 Ų | 158 | 162.7 Ų | 162.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -110.5 | 66.7 | 175.5 | -73 | -38.1 | 0 | 0 | 0 | 109.9 | ||
| 203 | G | 44.5 | Very low | 42.6 | Very low | 67 Ų | 67 | 158.4 Ų | 158.4 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -176.6 | -15 | 178.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 204 | L | 46.1 | Very low | 42.9 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -140.2 | 23.3 | -165.7 | -81.5 | 173.2 | 0 | 0 | 0 | 117.6 | ||
| 205 | R | 44.2 | Very low | 43.2 | Very low | 243 Ų | 243 | 154.2 Ų | 154.2 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -129.6 | 29.1 | 165.8 | -83.9 | -167.2 | 160.3 | -146.3 | -5.1 | 114.6 | L207 | R205-L207 PolarHBondContact O-N 3.42Š| ||
| 206 | F | 47.8 | Very low | 43.4 | Very low | 202 Ų | 202 | 159.8 Ų | 159.8 | 89% | 0.886 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -70.6 | 94.7 | 152.6 | -118 | -97.6 | 0 | 0 | 0 | 107.4 | L208 | F206-L208 PolarHBondContact O-N 3.24Š|
| 207 | L | 40.3 | Very low | 43.5 | Very low | 166 Ų | 166 | 165.6 Ų | 165.6 | 87% | 0.869 | 85% | 0.854 | S | S | * | * | S | Bend | trans | 50.7 | 35.6 | 146.7 | -151.6 | 101.1 | 0 | 0 | 0 | 119.4 | R205 | R205-L207 PolarHBondContact O-N 3.42Š|
| 208 | L | 40.7 | Very low | 43.5 | Very low | 153 Ų | 153 | 162.6 Ų | 162.6 | 80% | 0.801 | 86% | 0.859 | S | S | * | * | trans | -155.5 | 68.2 | 175.4 | -146.9 | 88.6 | 0 | 0 | 0 | 115.2 | F206 V210 | F206-L208 PolarHBondContact O-N 3.24Å; L208-V210 HydrophobicContact CD1-CG2 4.36Å; L208-V210 HydrophobicContact CG-CG2 4.26Å | ||
| 209 | M | 44.6 | Very low | 43.8 | Very low | 176 Ų | 176 | 165.8 Ų | 165.8 | 87% | 0.867 | 88% | 0.876 | S | S | * | * | trans | -146.8 | 75.3 | 146.7 | -121.3 | 177.6 | 171.3 | 0 | 0 | 101.3 | ||||
| 210 | V | 43.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 162.4 Ų | 162.4 | 73% | 0.733 | 88% | 0.884 | S | S | * | * | 32.9 | 112.6 | 87.8 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | L208 | L208-V210 HydrophobicContact CD1-CG2 4.36Å; L208-V210 HydrophobicContact CG-CG2 4.26Å | |||
| 211 | A | 41.6 | Very low | 43.8 | Very low | 174 Ų | 174 | 162.6 Ų | 162.6 | 100% | 1.438 | 89% | 0.888 | S | S | * | * | trans | 79.5 | 0 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 |
Retrieved 211 of 211 residues in 949.4 ms
(Link to these results)