| 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 | 34.6 | Very low | 36.1 | Very low | 220 Ų | 220 | 141.2 Ų | 141.2 | 100% | 1.084 | 81% | 0.812 | S | S | * | * | 0 | 88.2 | 0 | -115.8 | 162.7 | 174.7 | 0 | 0 | 105.6 | |||||
| 2 | E | 37.1 | Very low | 35.7 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | 96.9 | 129.9 | 84.9 | -89.8 | 179 | 101 | 0 | 0 | 110.1 | |||||
| 3 | E | 39.1 | Very low | 35.8 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -59.7 | -173.2 | 178.2 | -122 | -159.7 | 91.1 | 0 | 0 | 113.2 | ||||
| 4 | P | 52.1 | Low | 35.9 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | cis | -142.6 | 175.6 | 6.2 | 37.3 | -15.8 | 0 | 0 | 0 | 118.8 | ||||
| 5 | A | 38.3 | Very low | 35.8 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 64 | 155.4 | 140 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 6 | A | 33.5 | Very low | 36.4 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | cis | 177 | 144.3 | -23.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 7 | V | 34.4 | Very low | 36.4 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | 177.9 | 108.3 | 139.3 | 162.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 8 | E | 33.6 | Very low | 36.6 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 47.1 | 133.3 | 135.6 | -63.3 | 175.7 | 110.1 | 0 | 0 | 124.5 | ||||
| 9 | G | 30.7 | Very low | 36.7 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 168.4 | 68.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 10 | Q | 32.6 | Very low | 37.2 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -35.9 | 145.3 | 169 | -101.5 | 170.8 | -26.8 | 0 | 0 | 113.8 | ||||
| 11 | V | 31.4 | Very low | 37.6 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | -169.9 | 118.2 | 72.4 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 12 | Q | 30.7 | Very low | 38.1 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 40.7 | 118.8 | 129.8 | -139.5 | 138.1 | -4.9 | 0 | 0 | 123.8 | |||||
| 13 | L | 37.6 | Very low | 38.5 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -72.2 | 156.2 | 154.2 | -97.5 | 144 | 0 | 0 | 0 | 111.8 | ||||
| 14 | P | 37.3 | Very low | 38.7 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -143.3 | 164.2 | 110.5 | 34.9 | -18.7 | 0 | 0 | 0 | 116.3 | |||||
| 15 | S | 33.6 | Very low | 38.4 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -72.5 | 176.5 | 180 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 16 | P | 46.3 | Very low | 38.6 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -95.9 | 145.7 | -154 | 37 | -32 | 0 | 0 | 0 | 113.3 | ||||
| 17 | H | 35.3 | Very low | 39 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -168.9 | 138.7 | 150.8 | -102.5 | -65.2 | 0 | 0 | 0 | 112 | ||||
| 18 | Q | 41.3 | Very low | 39.3 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 59.4 | 84.6 | 147.1 | -69.4 | 175.4 | -32.8 | 0 | 0 | 118.3 | ||||
| 19 | G | 38.4 | Very low | 39.8 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -152.3 | -1.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 20 | S | 45.4 | Very low | 40.3 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -110.8 | -13 | -168.6 | -161.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 21 | L | 47 | Very low | 40.7 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -89.4 | -9.1 | -175.9 | -86.8 | 163.3 | 0 | 0 | 0 | 115.6 | ||
| 22 | R | 45.5 | Very low | 40.9 | Very low | 236 Ų | 236 | 132.8 Ų | 132.8 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -90.6 | -10.5 | -177.4 | -73.7 | -175.4 | 175.2 | 174.4 | -1.1 | 114.9 | ||
| 23 | K | 45 | Very low | 40.9 | Very low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -13.3 | 178.9 | -116 | 175.5 | 179.9 | 174.7 | 0 | 114.3 | ||
| 24 | A | 43.2 | Very low | 40.7 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 58% | 0.579 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -20.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 25 | V | 46.1 | Very low | 40.5 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 56% | 0.564 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -24.1 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | A28 | V25-A28 PolarHBondContact O-N 3.46Š|
| 26 | A | 41.5 | Very low | 40.8 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -16.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 27 | A | 41.2 | Very low | 40.4 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -12.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 28 | A | 42.6 | Very low | 40.8 | Very low | 79 Ų | 79 | 128 Ų | 128 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -95.5 | -3.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V25 | V25-A28 PolarHBondContact O-N 3.46Š|
| 29 | L | 42.6 | Very low | 40.7 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -119.4 | 13 | -172.9 | -70.3 | 175 | 0 | 0 | 0 | 114.7 | ||
| 30 | A | 40.8 | Very low | 40.9 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -110.1 | 12.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 31 | L | 42.9 | Very low | 40.7 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -141.5 | 62 | 175.9 | -67 | 174.7 | 0 | 0 | 0 | 111.3 | ||
| 32 | D | 34.2 | Very low | 40.4 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -140 | 123.4 | 160.5 | -162.2 | 26.8 | 0 | 0 | 0 | 108.8 | ||||
| 33 | G | 31.7 | Very low | 40 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 150.3 | 57.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 34 | E | 32.2 | Very low | 39.7 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 34.2 | 113.8 | 137.6 | -160.5 | 129.8 | 115.1 | 0 | 0 | 121.2 | ||||
| 35 | S | 32.8 | Very low | 39.2 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -151.9 | 120.7 | 135.7 | 86.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 36 | T | 40.7 | Very low | 38.6 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -39.9 | 129.9 | 168.7 | 49.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 37 | I | 37.8 | Very low | 38.3 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -160.9 | 122.6 | 138.6 | -98.6 | 147.5 | 0 | 0 | 0 | 108.2 | ||||
| 38 | G | 44.7 | Very low | 38 | Very low | 80 Ų | 80 | 164.6 Ų | 164.6 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -68.3 | 135 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 39 | R | 38.2 | Very low | 37.8 | Very low | 238 Ų | 238 | 166.6 Ų | 166.6 | 90% | 0.898 | 84% | 0.841 | S | S | * | * | trans | -134.8 | 98.1 | 160.5 | -150.6 | 172.6 | -175.4 | 175.9 | 1.4 | 108.3 | K41 | R39-K41 PolarHBondContact O-N 3.31Š| ||
| 40 | R | 43.4 | Very low | 37.4 | Very low | 254 Ų | 254 | 167.5 Ų | 167.5 | 96% | 0.958 | 84% | 0.841 | S | S | * | * | trans | -45.9 | 100.2 | 172.7 | -79.2 | 174.3 | 169.3 | 171.8 | -4.3 | 109.7 | K42 | R40-K42 VanDerWaalsContact C-N 3.32Å; R40-K42 PolarHBondContact O-N 2.96Å | ||
| 41 | K | 40.7 | Very low | 37.5 | Very low | 207 Ų | 207 | 168 Ų | 168 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | -74 | 95 | 163.8 | -81.1 | -173.9 | 177.2 | 177.9 | 0 | 107.2 | R39 K43 | R39-K41 PolarHBondContact O-N 3.31Å; K41-K43 PolarHBondContact O-N 3.46Å | ||
| 42 | K | 40.5 | Very low | 37.5 | Very low | 203 Ų | 203 | 165.4 Ų | 165.4 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -44.3 | 106.1 | 171.4 | -161.9 | 174.6 | -174.8 | 177.9 | 0 | 108.4 | R40 R44 | R40-K42 VanDerWaalsContact C-N 3.32Å; R40-K42 PolarHBondContact O-N 2.96Å; K42-R44 PolarHBondContact O-N 3.26Å | ||
| 43 | K | 36.3 | Very low | 37.8 | Very low | 195 Ų | 195 | 162.1 Ų | 162.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -49.2 | 116.2 | 161.6 | -92.1 | -176 | 172.4 | -179.2 | 0 | 105.6 | K41 K45 | K41-K43 PolarHBondContact O-N 3.46Å; K43-K45 PolarHBondContact O-N 3.42Å | ||
| 44 | R | 38.5 | Very low | 38.2 | Very low | 251 Ų | 251 | 164.4 Ų | 164.4 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | trans | -64.3 | 88.5 | 161.1 | -118.7 | -175 | 178.5 | -156.6 | 1.2 | 104.8 | K42 E46 | K42-R44 PolarHBondContact O-N 3.26Å; R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 PolarHBondContact O-N 3.23Å; R44-E46 VanDerWaalsContact O-N 3.15Å | ||
| 45 | K | 34.1 | Very low | 38.3 | Very low | 195 Ų | 195 | 162.8 Ų | 162.8 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -68 | 103.2 | 163.4 | -166.8 | 174.1 | -178 | -170.4 | 0 | 102.9 | K43 S47 | K43-K45 PolarHBondContact O-N 3.42Å; K45-S47 PolarHBondContact O-N 3.06Å | ||
| 46 | E | 33 | Very low | 38.4 | Very low | 178 Ų | 178 | 166.3 Ų | 166.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -50 | 118.7 | 166.5 | -97 | 166.6 | 163.9 | 0 | 0 | 106.6 | R44 R48 | R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 PolarHBondContact O-N 3.23Å; R44-E46 VanDerWaalsContact O-N 3.15Å; E46-R48 PolarHBondContact O-N 3.11Å | ||
| 47 | S | 34.9 | Very low | 38 | Very low | 115 Ų | 115 | 165.9 Ų | 165.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -62.9 | 92.6 | 172.7 | 44.5 | 0 | 0 | 0 | 0 | 106.4 | K45 | K45-S47 PolarHBondContact O-N 3.06Š| ||
| 48 | R | 35.3 | Very low | 37.7 | Very low | 220 Ų | 220 | 163 Ų | 163 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -53.8 | 129.9 | 161.3 | -77.3 | -175.6 | 172.1 | -175.3 | -4.1 | 106.7 | E46 E50 | E46-R48 PolarHBondContact O-N 3.11Å; R48-E50 PolarHBondContact O-N 2.85Å | ||
| 49 | P | 38.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 165.7 Ų | 165.7 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -63.2 | 110.7 | 168.8 | 25.2 | -29.8 | 0 | 0 | 0 | 107.3 | S51 | P49-S51 VanDerWaalsContact C-N 3.34Å; P49-S51 PolarHBondContact O-N 3.15Å; P49-S51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | E | 34.9 | Very low | 36.7 | Very low | 166 Ų | 166 | 163.6 Ų | 163.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -77.2 | 90.2 | 170.1 | -71.1 | -179 | 177.5 | 0 | 0 | 106.9 | R48 I52 | R48-E50 PolarHBondContact O-N 2.85Å; E50-I52 PolarHBondContact O-N 3.42Å | ||
| 51 | S | 43.4 | Very low | 36.1 | Very low | 88 Ų | 88 | 160 Ų | 160 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | -79 | 105.6 | 170.8 | 59.5 | 0 | 0 | 0 | 0 | 108.5 | P49 | P49-S51 VanDerWaalsContact C-N 3.34Å; P49-S51 PolarHBondContact O-N 3.15Å; P49-S51 VanDerWaalsContact O-N 3.12Å | ||
| 52 | I | 41.4 | Very low | 35.5 | Very low | 124 Ų | 124 | 156 Ų | 156 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -85.8 | 120.1 | 175.5 | -65.8 | 167.9 | 0 | 0 | 0 | 107.9 | E50 I54 | E50-I52 PolarHBondContact O-N 3.42Å; I52-I54 HydrophobicContact CG2-CG1 4.07Å | ||
| 53 | I | 40.6 | Very low | 34.9 | Very low | 102 Ų | 102 | 154 Ų | 154 | 52% | 0.523 | 75% | 0.752 | S | S | . | * | trans | -89.6 | 114.4 | 176.7 | -54.7 | 173.6 | 0 | 0 | 0 | 107.4 | Y55 V118 | I53-Y55 HydrophobicContact CG2-CE1 4.31Å; I53-Y55 HydrophobicContact CG2-CE2 4.22Å; I53-V118 HydrophobicContact CG2-CG1 4.32Å | ||
| 54 | I | 40.3 | Very low | 34.7 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 120.3 | 174.6 | -55.8 | 178 | 0 | 0 | 0 | 108.1 | I52 | I52-I54 HydrophobicContact CG2-CG1 4.07Š|
| 55 | Y | 33.8 | Very low | 34.4 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 60% | 0.6 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 128.3 | 177.9 | -63.3 | -85.5 | 0 | 0 | 0 | 110.2 | I53 S57 | I53-Y55 HydrophobicContact CG2-CE1 4.31Å; I53-Y55 HydrophobicContact CG2-CE2 4.22Å; Y55-S57 PolarHBondContact O-N 2.94Å |
| 56 | R | 35.8 | Very low | 34.3 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 116.1 | 166 | -156.9 | -178.4 | -160.9 | 127.8 | -1.1 | 107.9 | D58 | R56-D58 PolarHBondContact O-N 2.77Š|
| 57 | S | 31.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -77.4 | 96.9 | 170.2 | -64.2 | 0 | 0 | 0 | 0 | 108.1 | Y55 N59 | Y55-S57 PolarHBondContact O-N 2.94Å; S57-N59 PolarHBondContact O-N 3.33Å | ||
| 58 | D | 31.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | trans | -68.3 | 99.3 | 167.4 | -59.9 | -30.4 | 0 | 0 | 0 | 107.5 | R56 Q116 | R56-D58 PolarHBondContact O-N 2.77Å; D58-Q116 PolarHBondContact OD2-NE2 2.93Å | ||
| 59 | N | 34.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | -118.5 | 76.3 | 161.9 | -171.5 | 43.1 | 0 | 0 | 0 | 107.9 | S57 | S57-N59 PolarHBondContact O-N 3.33Š| ||
| 60 | E | 28.5 | Very low | 33 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 91% | 0.907 | 74% | 0.741 | S | S | * | * | trans | -140 | 117.7 | 152.1 | -155.1 | 166.1 | 106.2 | 0 | 0 | 107.5 | ||||
| 61 | K | 29.6 | Very low | 32.7 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -69.5 | 140 | -165.5 | -71.3 | 167.6 | 174.4 | 173.4 | 0 | 111.1 | D63 | K61-D63 PolarHBondContact O-N 3.13Š| ||
| 62 | T | 27.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -56.8 | 113.5 | 152 | -54.6 | 0 | 0 | 0 | 0 | 109 | E64 | T62-E64 HydrophobicContact CG2-CG 4.21Š| ||
| 63 | D | 28.6 | Very low | 31.3 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -94.3 | 98.7 | 155.6 | -91.9 | -32.2 | 0 | 0 | 0 | 107.3 | K61 | K61-D63 PolarHBondContact O-N 3.13Š| ||
| 64 | E | 31.8 | Very low | 30.8 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -121.4 | 123.6 | 149.2 | -68.6 | -158.8 | 153.8 | 0 | 0 | 106.4 | T62 | T62-E64 HydrophobicContact CG2-CG 4.21Š| ||
| 65 | E | 32.1 | Very low | 31.2 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | -175.2 | 147.1 | 120 | -90.8 | -116.1 | 104.4 | 0 | 0 | 111.8 | |||||
| 66 | P | 32.8 | Very low | 31 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 127.9 | 168 | 31.7 | -27.4 | 0 | 0 | 0 | 109 | ||||
| 67 | G | 28.6 | Very low | 30.8 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -82.6 | 137 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 68 | E | 28.3 | Very low | 30.7 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -151.4 | 127 | 146.8 | -61.3 | -164.7 | 153.2 | 0 | 0 | 111.3 | ||||
| 69 | S | 27.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 72.6 | 108.1 | 147.8 | -66.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 70 | E | 29.8 | Very low | 30.4 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | 82.6 | 113.2 | 115.3 | -145.7 | -178.9 | 149.1 | 0 | 0 | 121.2 | |||||
| 71 | G | 27.6 | Very low | 30.6 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 115.7 | 109.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 72 | G | 27.2 | Very low | 30.8 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 106.2 | 102.4 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 73 | D | 27.6 | Very low | 30.8 | Very low | 173 Ų | 173 | 145 Ų | 145 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | 77.1 | 128 | 138.9 | -56.1 | -36.4 | 0 | 0 | 0 | 124 | ||||
| 74 | R | 30.4 | Very low | 31.4 | Very low | 240 Ų | 240 | 144.4 Ų | 144.4 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -91.3 | -169 | 178.1 | -73.1 | -178.8 | 159.7 | -169.8 | -4 | 112.1 | ||||
| 75 | P | 48.4 | Very low | 31.3 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | -132.5 | -171.6 | -61.3 | 39.2 | -21.7 | 0 | 0 | 0 | 112.7 | |||||
| 76 | K | 30.4 | Very low | 31.6 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 129.6 | 141.4 | 158 | -78.1 | 170.1 | 155.3 | -131.5 | 0 | 111.7 | ||||
| 77 | E | 31.1 | Very low | 31.7 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | cis | -169.4 | 150.8 | 18.4 | -114.5 | 154.4 | -149.9 | 0 | 0 | 108.4 | ||||
| 78 | E | 29.9 | Very low | 32.3 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | 46.7 | 143.2 | 136 | -90.2 | 173.6 | -176 | 0 | 0 | 121.2 | ||||
| 79 | E | 33.2 | Very low | 32.5 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -179.8 | 155.2 | 12.7 | -158 | 173 | 161.7 | 0 | 0 | 108 | ||||
| 80 | G | 27.3 | Very low | 33.2 | Very low | 68 Ų | 68 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 79.6 | 133.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 81 | D | 31.6 | Very low | 33.2 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | cis | -158.3 | 127.4 | 24.1 | 46.2 | -25.5 | 0 | 0 | 0 | 110.4 | ||||
| 82 | D | 34.4 | Very low | 33.8 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -77.3 | 124.7 | 170 | -168.1 | 19.4 | 0 | 0 | 0 | 108.3 | ||||
| 83 | F | 28 | Very low | 34.1 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -144.3 | 65.1 | 163.1 | -141 | -90 | 0 | 0 | 0 | 109.9 | D85 | F83-D85 HydrophobicContact CD1-CB 4.07Å; F83-D85 HydrophobicContact CE1-CB 3.78Å; F83-D85 PolarHBondContact O-N 2.88Å | ||
| 84 | L | 41.1 | Very low | 34.6 | Very low | 147 Ų | 147 | 152.3 Ų | 152.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -70.6 | 103.1 | 152.8 | -71.3 | 175.8 | 0 | 0 | 0 | 108.3 | ||||
| 85 | D | 29 | Very low | 34.9 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | trans | -133.7 | 112.3 | 159 | -149 | 20.9 | 0 | 0 | 0 | 109.2 | F83 | F83-D85 HydrophobicContact CD1-CB 4.07Å; F83-D85 HydrophobicContact CE1-CB 3.78Å; F83-D85 PolarHBondContact O-N 2.88Å | ||
| 86 | Y | 39.2 | Very low | 34.2 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | -81.5 | 128.3 | 169.9 | -98.5 | -97.9 | 0 | 0 | 0 | 108 | ||||
| 87 | P | 34.9 | Very low | 34.6 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -93.6 | 102.4 | 149.3 | 28.3 | -18.3 | 0 | 0 | 0 | 108.5 | D89 | P87-D89 PolarHBondContact O-N 2.85Š| ||
| 88 | V | 42.3 | Very low | 34.8 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | trans | -64.4 | 114 | 144.4 | 169.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 89 | D | 30.6 | Very low | 35 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -167.8 | 120.7 | 142.3 | -98.2 | -48.5 | 0 | 0 | 0 | 110.4 | P87 D91 | P87-D89 PolarHBondContact O-N 2.85Å; D89-D91 PolarHBondContact O-N 3.32Å | ||
| 90 | D | 42.5 | Very low | 35.4 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | trans | 23.3 | 85.5 | 137.9 | -87.6 | -80.2 | 0 | 0 | 0 | 117.5 | ||||
| 91 | D | 31.2 | Very low | 35.8 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -147.7 | 86.8 | 135.6 | -92.5 | -43.9 | 0 | 0 | 0 | 108.4 | D89 W93 | D89-D91 PolarHBondContact O-N 3.32Å; D91-W93 PolarHBondContact O-N 3.31Å | ||
| 92 | M | 39.5 | Very low | 36.1 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -36.8 | 86.2 | 154.6 | -175.8 | 130.4 | 48.3 | 0 | 0 | 110.8 | N94 | M92-N94 PolarHBondContact O-N 3.45Å; M92-N94 PolarHBondContact O-ND2 3.14Å | ||
| 93 | W | 34.4 | Very low | 36.4 | Very low | 233 Ų | 233 | 135.6 Ų | 135.6 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | trans | -50.2 | 116.3 | 161.5 | -69.6 | 98.4 | 0 | 0 | 0 | 105.8 | D91 L95 | D91-W93 PolarHBondContact O-N 3.31Å; W93-L95 PolarHBondContact O-N 3.18Å | ||
| 94 | N | 38 | Very low | 37.2 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | trans | -63.5 | 87.3 | -179.9 | -82.8 | -111.2 | 0 | 0 | 0 | 107.6 | M92 P96 | M92-N94 PolarHBondContact O-N 3.45Å; M92-N94 PolarHBondContact O-ND2 3.14Å; N94-P96 VanDerWaalsContact O-CD 3.29Å; N94-P96 WeakPolarHBondContact O-CD 3.22Å | ||
| 95 | L | 36.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 56% | 0.555 | 66% | 0.659 | S | S | * | * | trans | -75.1 | 111.9 | 174.8 | 176.3 | 63.2 | 0 | 0 | 0 | 106.8 | W93 L97 Y101 | W93-L95 PolarHBondContact O-N 3.18Å; L95-L97 PolarHBondContact O-N 3.39Å; L95-Y101 VanDerWaalsContact CD1-OH 3.24Å; L95-Y101 WeakPolarHBondContact CD1-OH 3.45Å | ||
| 96 | P | 32.5 | Very low | 38.2 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 61% | 0.61 | 64% | 0.64 | S | S | * | * | trans | -65.6 | 120.9 | 165.5 | -8.2 | 25.5 | 0 | 0 | 0 | 106.4 | N94 D98 | N94-P96 VanDerWaalsContact O-CD 3.29Å; N94-P96 WeakPolarHBondContact O-CD 3.22Å; P96-D98 PolarHBondContact O-N 2.88Å | ||
| 97 | L | 39.1 | Very low | 38.3 | Very low | 176 Ų | 176 | 119.8 Ų | 119.8 | 92% | 0.921 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 21.2 | -179.5 | -94.1 | 148.8 | 0 | 0 | 0 | 114.8 | L95 | L95-L97 PolarHBondContact O-N 3.39Š|
| 98 | D | 34.6 | Very low | 38.6 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 70% | 0.695 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 6.6 | -171.7 | -122.8 | -13.9 | 0 | 0 | 0 | 115.2 | P96 R100 | P96-D98 PolarHBondContact O-N 2.88Å; D98-R100 PolarHBondContact O-N 3.23Å |
| 99 | S | 34.4 | Very low | 38.6 | Very low | 47 Ų | 47 | 116.8 Ų | 116.8 | 33% | 0.329 | 61% | 0.609 | S | S | . | * | trans | -84.6 | 95.3 | 174.3 | 61.9 | 0 | 0 | 0 | 0 | 111 | Y101 | S99-Y101 WeakPolarHBondContact O-CD2 3.25Å; S99-Y101 VanDerWaalsContact O-CE2 3.25Å; S99-Y101 WeakPolarHBondContact O-CE2 3.15Å; S99-Y101 PolarHBondContact O-N 2.94Å; S99-Y101 PolarHBondContact OG-OH 2.87Å | ||
| 100 | R | 41.8 | Very low | 38.9 | Very low | 187 Ų | 187 | 121 Ų | 121 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | trans | -65 | 110.8 | 164.3 | -81.1 | -177.1 | -78.8 | -179 | -3.6 | 109.1 | D98 | D98-R100 PolarHBondContact O-N 3.23Š| ||
| 101 | Y | 35.7 | Very low | 38.9 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | trans | -73.9 | 130.5 | 178.5 | -59.5 | -86.3 | 0 | 0 | 0 | 110.2 | L95 S99 | L95-Y101 VanDerWaalsContact CD1-OH 3.24Å; L95-Y101 WeakPolarHBondContact CD1-OH 3.45Å; S99-Y101 WeakPolarHBondContact O-CD2 3.25Å; S99-Y101 VanDerWaalsContact O-CE2 3.25Å; S99-Y101 WeakPolarHBondContact O-CE2 3.15Å; S99-Y101 PolarHBondContact O-N 2.94Å; S99-Y101 PolarHBondContact OG-OH 2.87Å | ||
| 102 | V | 37.9 | Very low | 39.2 | Very low | 61 Ų | 61 | 121.1 Ų | 121.1 | 37% | 0.37 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 118 | 170.4 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | L104 V122 | V102-L104 HydrophobicContact CG1-CD2 4.34Å; V102-L104 HydrophobicContact CG1-CG 4.28Å; V102-V122 PolarHBondContact O-N 2.79Å |
| 103 | T | 41.5 | Very low | 39.5 | Very low | 63 Ų | 63 | 120.3 Ų | 120.3 | 39% | 0.387 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 122.1 | 174.1 | -46.4 | 0 | 0 | 0 | 0 | 108.1 | D119 H121 | T103-D119 HydrophobicContact CG2-CB 3.46Å; T103-D119 VanDerWaalsContact CG2-CB 3.46Å; T103-D119 VanDerWaalsContact CG2-CG 3.46Å; T103-H121 PolarHBondContact OG1-CE1 2.68Å; T103-H121 PolarHBondContact OG1-ND1 3.46Å |
| 104 | L | 44.7 | Very low | 39.3 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.6 | 175.1 | -69.4 | 168 | 0 | 0 | 0 | 109 | V102 G106 I120 V122 | V102-L104 HydrophobicContact CG1-CD2 4.34Å; V102-L104 HydrophobicContact CG1-CG 4.28Å; L104-G106 PolarHBondContact O-N 3.4Å; L104-I120 PolarHBondContact N-O 3.38Å; L104-I120 PolarHBondContact O-N 2.97Å; L104-V122 HydrophobicContact CD1-CB 4.48Å; L104-V122 HydrophobicContact CD1-CG2 4.12Å |
| 105 | T | 42.7 | Very low | 39.6 | Very low | 99 Ų | 99 | 112.5 Ų | 112.5 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 119.7 | 178.2 | -46 | 0 | 0 | 0 | 0 | 110.2 | M117 D119 | T105-M117 HydrophobicContact CG2-CB 4.18Å; T105-D119 WeakPolarHBondContact CA-OD1 3.03Å; T105-D119 WeakPolarHBondContact CB-OD1 3.43Å; T105-D119 WeakPolarHBondContact CG2-OD1 3.11Å; T105-D119 PolarHBondContact OG1-OD1 3.24Å |
| 106 | G | 48.1 | Very low | 39.7 | Very low | 27 Ų | 27 | 109.6 Ų | 109.6 | 28% | 0.278 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 162.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L104 M117 V118 | L104-G106 PolarHBondContact O-N 3.4Å; G106-M117 CarbonylContact O-C 3.58Å; G106-M117 WeakPolarHBondContact O-CA 3.35Å; G106-V118 PolarHBondContact N-O 2.91Å; G106-V118 PolarHBondContact O-N 3.37Å; G106-V118 VanDerWaalsContact O-O 3.09Å |
| 107 | T | 41.4 | Very low | 39.9 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.8 | 175.5 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | T109 M117 | T107-T109 PolarHBondContact O-N 3.23Å; T107-M117 HydrophobicContact CG2-CB 4.34Å |
| 108 | I | 41.8 | Very low | 40 | Very low | 61 Ų | 61 | 104.3 Ų | 104.3 | 31% | 0.313 | 54% | 0.54 | S | S | . | . | trans | -77.3 | 114.6 | 179.1 | -63.6 | 177.5 | 0 | 0 | 0 | 109.8 | G115 Q116 V118 | I108-G115 PolarHBondContact O-N 2.97Å; I108-Q116 PolarHBondContact N-O 3Å; I108-V118 HydrophobicContact CD1-CB 4.22Å; I108-V118 HydrophobicContact CD1-CG2 3.38Å; I108-V118 HydrophobicContact CG1-CB 4.35Å; I108-V118 HydrophobicContact CG1-CG2 3.84Å | ||
| 109 | T | 40.9 | Very low | 40.3 | Very low | 110 Ų | 110 | 100.7 Ų | 100.7 | 68% | 0.675 | 52% | 0.521 | S | S | * | . | trans | -91.6 | -7.7 | -175 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | T107 K114 | T107-T109 PolarHBondContact O-N 3.23Å; T109-K114 WeakPolarHBondContact O-CE 3.41Å | ||
| 110 | R | 37.5 | Very low | 40.8 | Very low | 228 Ų | 228 | 102.5 Ų | 102.5 | 86% | 0.86 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -154.3 | 135.7 | 176.9 | -147.6 | 172.2 | -178.4 | 151.7 | -0.1 | 114.7 | ||
| 111 | G | 42.6 | Very low | 40.6 | Very low | 51 Ų | 51 | 97.4 Ų | 97.4 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | S | Bend | trans | 135.4 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K113 K114 | G111-K113 PolarHBondContact O-N 3.22Å; G111-K114 PolarHBondContact O-N 3.48Å |
| 112 | K | 36.5 | Very low | 41 | Very low | 227 Ų | 227 | 93.7 Ų | 93.7 | 99% | 0.987 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -7 | -179.4 | -140.6 | -176.4 | -175 | -172.7 | 0 | 113.8 | ||
| 113 | K | 46.8 | Very low | 41.1 | Very low | 139 Ų | 139 | 95.3 Ų | 95.3 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | 55.8 | 172.4 | -63.9 | -161.5 | 176.5 | -168.4 | 0 | 111.2 | G111 G115 | G111-K113 PolarHBondContact O-N 3.22Å; K113-G115 PolarHBondContact O-N 3.19Å |
| 114 | K | 30.4 | Very low | 41.2 | Very low | 161 Ų | 161 | 95.9 Ų | 95.9 | 70% | 0.7 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 124.9 | 172.3 | -175.6 | -179.8 | -179.3 | -173.1 | 0 | 108.8 | T109 G111 | T109-K114 WeakPolarHBondContact O-CE 3.41Å; G111-K114 PolarHBondContact O-N 3.48Å |
| 115 | G | 44.9 | Very low | 41.3 | Very low | 63 Ų | 63 | 96.2 Ų | 96.2 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105 | 2.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | I108 K113 | I108-G115 PolarHBondContact O-N 2.97Å; K113-G115 PolarHBondContact O-N 3.19Å |
| 116 | Q | 37.3 | Very low | 41.3 | Very low | 45 Ų | 45 | 97.9 Ų | 97.9 | 21% | 0.21 | 52% | 0.519 | C | S | . | . | trans | -89.2 | 130 | 174 | -154.5 | 175.1 | 5.3 | 0 | 0 | 110.1 | D58 I108 | D58-Q116 PolarHBondContact OD2-NE2 2.93Å; I108-Q116 PolarHBondContact N-O 3Å | ||
| 117 | M | 38.4 | Very low | 41.3 | Very low | 143 Ų | 143 | 104.4 Ų | 104.4 | 70% | 0.704 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.9 | 172.2 | 46.3 | -173.2 | 168.7 | 0 | 0 | 109.5 | T105 G106 T107 | T105-M117 HydrophobicContact CG2-CB 4.18Å; G106-M117 CarbonylContact O-C 3.58Å; G106-M117 WeakPolarHBondContact O-CA 3.35Å; T107-M117 HydrophobicContact CG2-CB 4.34Å |
| 118 | V | 40.8 | Very low | 41.7 | Very low | 16 Ų | 16 | 104.6 Ų | 104.6 | 10% | 0.097 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.3 | -179.9 | -180 | 0 | 0 | 0 | 0 | 109.3 | I53 G106 I108 I120 | I53-V118 HydrophobicContact CG2-CG1 4.32Å; G106-V118 PolarHBondContact N-O 2.91Å; G106-V118 PolarHBondContact O-N 3.37Å; G106-V118 VanDerWaalsContact O-O 3.09Å; I108-V118 HydrophobicContact CD1-CB 4.22Å; I108-V118 HydrophobicContact CD1-CG2 3.38Å; I108-V118 HydrophobicContact CG1-CB 4.35Å; I108-V118 HydrophobicContact CG1-CG2 3.84Å; V118-I120 PolarHBondContact O-N 3.33Å |
| 119 | D | 39.8 | Very low | 41.9 | Very low | 54 Ų | 54 | 103.8 Ų | 103.8 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.1 | 175 | -81.4 | -18.7 | 0 | 0 | 0 | 109.7 | T103 T105 | T103-D119 HydrophobicContact CG2-CB 3.46Å; T103-D119 VanDerWaalsContact CG2-CB 3.46Å; T103-D119 VanDerWaalsContact CG2-CG 3.46Å; T105-D119 WeakPolarHBondContact CA-OD1 3.03Å; T105-D119 WeakPolarHBondContact CB-OD1 3.43Å; T105-D119 WeakPolarHBondContact CG2-OD1 3.11Å; T105-D119 PolarHBondContact OG1-OD1 3.24Å |
| 120 | I | 44.8 | Very low | 41.9 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 107.9 | 175.7 | -54 | 174.9 | 0 | 0 | 0 | 107.3 | L104 V118 V122 | L104-I120 PolarHBondContact N-O 3.38Å; L104-I120 PolarHBondContact O-N 2.97Å; V118-I120 PolarHBondContact O-N 3.33Å; I120-V122 HydrophobicContact CG2-CG2 3.75Å; I120-V122 PolarHBondContact O-N 3.4Å |
| 121 | H | 38.4 | Very low | 42.6 | Very low | 79 Ų | 79 | 101 Ų | 101 | 37% | 0.366 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 102.9 | 170.7 | -76.1 | -86.2 | 0 | 0 | 0 | 109.2 | T103 | T103-H121 PolarHBondContact OG1-CE1 2.68Å; T103-H121 PolarHBondContact OG1-ND1 3.46Å |
| 122 | V | 44.8 | Very low | 42.7 | Very low | 59 Ų | 59 | 105.2 Ų | 105.2 | 36% | 0.358 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113.2 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | V102 L104 I120 L124 | V102-V122 PolarHBondContact O-N 2.79Å; L104-V122 HydrophobicContact CD1-CB 4.48Å; L104-V122 HydrophobicContact CD1-CG2 4.12Å; I120-V122 HydrophobicContact CG2-CG2 3.75Å; I120-V122 PolarHBondContact O-N 3.4Å; V122-L124 VanDerWaalsContact C-N 3.35Å; V122-L124 HydrophobicContact CG1-CD2 4.41Å; V122-L124 HydrophobicContact CG1-CG 4.21Å; V122-L124 PolarHBondContact O-N 3.21Å |
| 123 | T | 39.9 | Very low | 43 | Very low | 94 Ų | 94 | 99 Ų | 99 | 58% | 0.577 | 51% | 0.509 | S | S | * | . | trans | -76.7 | 86.3 | 171.5 | 44.1 | 0 | 0 | 0 | 0 | 109.5 | T125 | T123-T125 PolarHBondContact O-N 2.88Š| ||
| 124 | L | 41.7 | Very low | 42.3 | Very low | 75 Ų | 75 | 99.7 Ų | 99.7 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | trans | -68.4 | 124.9 | 172.2 | -74.9 | 165.6 | 0 | 0 | 0 | 109.5 | V122 E128 | V122-L124 VanDerWaalsContact C-N 3.35Å; V122-L124 HydrophobicContact CG1-CD2 4.41Å; V122-L124 HydrophobicContact CG1-CG 4.21Å; V122-L124 PolarHBondContact O-N 3.21Å; L124-E128 HydrophobicContact CD2-CB 4.09Å; L124-E128 HydrophobicContact CD2-CG 4.38Å | ||
| 125 | T | 46.8 | Very low | 42.5 | Very low | 102 Ų | 102 | 96.8 Ų | 96.8 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | trans | -74 | 143.3 | 174.8 | -44.1 | 0 | 0 | 0 | 0 | 108.8 | T123 K127 E128 | T123-T125 PolarHBondContact O-N 2.88Å; T125-K127 PolarHBondContact O-N 3.23Å; T125-E128 PolarHBondContact O-N 3.31Å | ||
| 126 | E | 43.1 | Very low | 42.2 | Very low | 133 Ų | 133 | 103 Ų | 103 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -48.5 | -22.1 | -172.5 | -170.6 | 164.2 | -163.3 | 0 | 0 | 115.9 | L129 Q130 | E126-L129 PolarHBondContact O-N 3.31Å; E126-Q130 PolarHBondContact O-N 3.49Å |
| 127 | K | 49.1 | Very low | 42 | Very low | 165 Ų | 165 | 109.4 Ų | 109.4 | 72% | 0.717 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.5 | -35.9 | 175.7 | -62.2 | -176.2 | 179.6 | 178.1 | 0 | 113.6 | T125 | T125-K127 PolarHBondContact O-N 3.23Å |
| 128 | E | 48.7 | Very low | 41.9 | Very low | 106 Ų | 106 | 106.7 Ų | 106.7 | 50% | 0.495 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.8 | -32.4 | 178 | -56.8 | -63.7 | 145.2 | 0 | 0 | 110.9 | L124 T125 Q130 E131 L132 | L124-E128 HydrophobicContact CD2-CB 4.09Å; L124-E128 HydrophobicContact CD2-CG 4.38Å; T125-E128 PolarHBondContact O-N 3.31Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-E131 PolarHBondContact O-N 2.89Å; E128-L132 WeakPolarHBondContact O-CG 3.44Å; E128-L132 PolarHBondContact O-N 3.5Å; E128-L132 VanDerWaalsContact O-N 3.15Å |
| 129 | L | 47.3 | Very low | 41.6 | Very low | 44 Ų | 44 | 111.4 Ų | 111.4 | 23% | 0.23 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -70.3 | -32.1 | 176.6 | -140.7 | 153.3 | 0 | 0 | 0 | 111.2 | E126 L132 T133 | E126-L129 PolarHBondContact O-N 3.31Å; L129-L132 PolarHBondContact O-N 3.39Å; L129-T133 WeakPolarHBondContact CD2-OG1 3.19Å; L129-T133 VanDerWaalsContact O-CB 3.29Å; L129-T133 WeakPolarHBondContact O-CB 3.48Å; L129-T133 PolarHBondContact O-N 2.97Å; L129-T133 PolarHBondContact O-OG1 2.85Å |
| 130 | Q | 40.8 | Very low | 41.4 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 59% | 0.593 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.5 | -28.6 | 173.3 | -119.3 | -177.1 | 30.9 | 0 | 0 | 113.5 | E126 E128 K134 | E126-Q130 PolarHBondContact O-N 3.49Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-K134 WeakPolarHBondContact O-CB 3.39Å; Q130-K134 PolarHBondContact O-N 3.42Å |
| 131 | E | 50.8 | Low | 40.7 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 72% | 0.715 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.4 | -32.2 | 172.6 | -72.5 | -160.1 | 165.4 | 0 | 0 | 112.2 | E128 | E128-E131 PolarHBondContact O-N 2.89Å |
| 132 | L | 44.9 | Very low | 40.4 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 72% | 0.723 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81 | -27.6 | 176.7 | -65.4 | 172.1 | 0 | 0 | 0 | 113.8 | E128 L129 | E128-L132 WeakPolarHBondContact O-CG 3.44Å; E128-L132 PolarHBondContact O-N 3.5Å; E128-L132 VanDerWaalsContact O-N 3.15Å; L129-L132 PolarHBondContact O-N 3.39Å |
| 133 | T | 42.8 | Very low | 39.7 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 59% | 0.589 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -95.7 | -9.5 | -179.1 | -44.4 | 0 | 0 | 0 | 0 | 112.8 | L129 P135 | L129-T133 WeakPolarHBondContact CD2-OG1 3.19Å; L129-T133 VanDerWaalsContact O-CB 3.29Å; L129-T133 WeakPolarHBondContact O-CB 3.48Å; L129-T133 PolarHBondContact O-N 2.97Å; L129-T133 PolarHBondContact O-OG1 2.85Å; T133-P135 WeakPolarHBondContact O-CD 3.36Å |
| 134 | K | 33.8 | Very low | 39.4 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -72.4 | 107.3 | 165.5 | -95.8 | 179.5 | 175.6 | 175.7 | 0 | 107.4 | Q130 K136 | Q130-K134 WeakPolarHBondContact O-CB 3.39Å; Q130-K134 PolarHBondContact O-N 3.42Å; K134-K136 PolarHBondContact O-N 3.23Å |
| 135 | P | 33.7 | Very low | 39.4 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -55.4 | 147.1 | 168.6 | 25.9 | -33.3 | 0 | 0 | 0 | 107.8 | T133 E137 | T133-P135 WeakPolarHBondContact O-CD 3.36Å; P135-E137 PolarHBondContact O-N 3.13Å | ||
| 136 | K | 38.1 | Very low | 38.8 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -55.2 | 68.4 | 166.3 | -175.5 | -179.5 | 175.1 | 173.9 | 0 | 110.7 | K134 S138 | K134-K136 PolarHBondContact O-N 3.23Å; K136-S138 PolarHBondContact O-N 3.5Å | ||
| 137 | E | 34.5 | Very low | 38.3 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | trans | -86.1 | 62.5 | 153.1 | -72.4 | -168.3 | 152.6 | 0 | 0 | 106.7 | P135 S139 | P135-E137 PolarHBondContact O-N 3.13Å; E137-S139 VanDerWaalsContact C-N 3.28Å; E137-S139 PolarHBondContact O-N 3.45Å | ||
| 138 | S | 34.4 | Very low | 38.1 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -66.8 | 97.3 | 163.2 | 56.1 | 0 | 0 | 0 | 0 | 107.4 | K136 | K136-S138 PolarHBondContact O-N 3.5Š| ||
| 139 | S | 35.2 | Very low | 37.4 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 62.3 | 57.2 | 143.1 | -167.4 | 0 | 0 | 0 | 0 | 116 | E137 | E137-S139 VanDerWaalsContact C-N 3.28Å; E137-S139 PolarHBondContact O-N 3.45Å | ||
| 140 | R | 35.5 | Very low | 37.4 | Very low | 247 Ų | 247 | 145.9 Ų | 145.9 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -110.4 | 71.9 | 149.2 | -97.3 | -179.8 | 76.9 | 164.8 | 2.5 | 108.8 | ||||
| 141 | E | 29.7 | Very low | 37.5 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -105.8 | 104.2 | 154.9 | -164 | 159.6 | -171.1 | 0 | 0 | 108.5 | T143 | E141-T143 PolarHBondContact O-N 3.02Š| ||
| 142 | T | 32.4 | Very low | 37.3 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -47 | 120.7 | 166.4 | 29.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 143 | T | 30.5 | Very low | 37.7 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -134.4 | 146.1 | 135.9 | 14.8 | 0 | 0 | 0 | 0 | 108.3 | E141 | E141-T143 PolarHBondContact O-N 3.02Š| ||
| 144 | P | 33.2 | Very low | 38.2 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -73.8 | 153.2 | -149.2 | 30.8 | -35.2 | 0 | 0 | 0 | 112.3 | G146 | P144-G146 PolarHBondContact O-N 3.3Š| ||
| 145 | E | 41 | Very low | 39 | Very low | 213 Ų | 213 | 139.9 Ų | 139.9 | 100% | 0.995 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -50.2 | 102.7 | 158.1 | -66.7 | -166.9 | 116.5 | 0 | 0 | 108.9 | ||
| 146 | G | 34.8 | Very low | 40 | Very low | 59 Ų | 59 | 141.9 Ų | 141.9 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | -169 | 76.6 | -165 | 0 | 0 | 0 | 0 | 0 | 112.3 | P144 | P144-G146 PolarHBondContact O-N 3.3Š| ||
| 147 | R | 32.8 | Very low | 41.2 | Very low | 241 Ų | 241 | 132.7 Ų | 132.7 | 91% | 0.909 | 72% | 0.723 | S | S | * | * | trans | 77.4 | 99.6 | 165.8 | -52.9 | 178.7 | -177.4 | -178 | 0.5 | 115.5 | A149 | R147-A149 VanDerWaalsContact C-N 3.27Å; R147-A149 PolarHBondContact O-N 3.29Å | ||
| 148 | M | 44.7 | Very low | 42.7 | Very low | 211 Ų | 211 | 128.6 Ų | 128.6 | 100% | 1.039 | 71% | 0.712 | S | S | * | * | trans | -56 | 93.3 | 147.2 | -77.1 | -173.9 | 168.3 | 0 | 0 | 109 | ||||
| 149 | A | 34 | Very low | 44.6 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 56% | 0.562 | 71% | 0.706 | S | S | * | * | trans | -113.7 | 120.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | R147 Q151 | R147-A149 VanDerWaalsContact C-N 3.27Å; R147-A149 PolarHBondContact O-N 3.29Å; A149-Q151 PolarHBondContact O-N 3.4Å | ||
| 150 | C | 47 | Very low | 46.2 | Very low | 134 Ų | 134 | 124 Ų | 124 | 91% | 0.905 | 67% | 0.668 | S | S | * | * | trans | -54.5 | 97 | 172.2 | -76.5 | 0 | 0 | 0 | 0 | 109.5 | V152 | C150-V152 PolarHBondContact O-N 2.93Š| ||
| 151 | Q | 43.8 | Very low | 47.7 | Very low | 174 Ų | 174 | 114.5 Ų | 114.5 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | trans | -86.9 | 90.6 | 169.2 | -68.1 | -169.9 | 41.5 | 0 | 0 | 108 | A149 G153 | A149-Q151 PolarHBondContact O-N 3.4Å; Q151-G153 PolarHBondContact O-N 3.43Å; Q151-G153 VanDerWaalsContact O-N 3.16Å | ||
| 152 | V | 47.5 | Very low | 49.7 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | trans | -72.7 | 96.5 | 162.6 | 175.9 | 0 | 0 | 0 | 0 | 106.4 | C150 | C150-V152 PolarHBondContact O-N 2.93Š| ||
| 153 | G | 52.7 | Low | 51.4 | Low | 36 Ų | 36 | 111.9 Ų | 111.9 | 37% | 0.371 | 62% | 0.615 | S | S | . | * | B | Isolated β-bridge | trans | -101 | 165.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q151 D155 R156 | Q151-G153 PolarHBondContact O-N 3.43Å; Q151-G153 VanDerWaalsContact O-N 3.16Å; G153-D155 PolarHBondContact O-N 3.44Å; G153-R156 PolarHBondContact N-O 3.45Å; G153-R156 CarbonylContact O-C 3.28Å; G153-R156 VanDerWaalsContact O-C 3.28Å; G153-R156 PolarHBondContact O-N 2.82Å |
| 154 | A | 53.8 | Low | 53.2 | Low | 95 Ų | 95 | 106 Ų | 106 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -21.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | H159 | A154-H159 PolarHBondContact O-NE2 2.92Š|
| 155 | D | 49.6 | Very low | 55 | Low | 123 Ų | 123 | 106 Ų | 106 | 66% | 0.658 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -3.1 | 175.4 | -75.3 | -49.8 | 0 | 0 | 0 | 114.7 | G153 | G153-D155 PolarHBondContact O-N 3.44Š|
| 156 | R | 54.4 | Low | 56.7 | Low | 142 Ų | 142 | 100.3 Ų | 100.3 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | B | Isolated β-bridge | trans | -140.7 | 102.5 | -178 | -91.3 | -175.6 | 166.7 | 149 | -1 | 110.3 | G153 | G153-R156 PolarHBondContact N-O 3.45Å; G153-R156 CarbonylContact O-C 3.28Å; G153-R156 VanDerWaalsContact O-C 3.28Å; G153-R156 PolarHBondContact O-N 2.82Å |
| 157 | G | 63.4 | Low | 58.2 | Low | 0 Ų | 0 | 98.8 Ų | 98.8 | 0% | 0 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -167.2 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | H159 V160 | G157-H159 PolarHBondContact O-N 3.39Å; G157-H159 VanDerWaalsContact O-N 3.09Å; G157-V160 WeakPolarHBondContact O-CB 3.49Å; G157-V160 PolarHBondContact O-N 3.16Å |
| 158 | P | 66.9 | Low | 60 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -18.6 | 179.8 | 25.6 | -34.8 | 0 | 0 | 0 | 113 | V161 L162 | P158-V161 PolarHBondContact O-N 2.95Å; P158-L162 WeakPolarHBondContact O-CB 3.05Å; P158-L162 PolarHBondContact O-N 3.39Å |
| 159 | H | 73 | Confident | 61.4 | Low | 102 Ų | 102 | 82.9 Ų | 82.9 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 173 | 63.2 | -87 | 0 | 0 | 0 | 112.4 | A154 G157 L162 W163 | A154-H159 PolarHBondContact O-NE2 2.92Å; G157-H159 PolarHBondContact O-N 3.39Å; G157-H159 VanDerWaalsContact O-N 3.09Å; H159-L162 PolarHBondContact O-N 3Å; H159-W163 WeakPolarHBondContact O-CB 3.47Å; H159-W163 PolarHBondContact O-N 2.66Å |
| 160 | V | 68.9 | Low | 63.4 | Low | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.018 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | G157 L162 W163 T164 W238 | G157-V160 WeakPolarHBondContact O-CB 3.49Å; G157-V160 PolarHBondContact O-N 3.16Å; V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.08Å; V160-W163 PolarHBondContact O-N 3.42Å; V160-T164 HydrophobicContact CG1-CG2 4.43Å; V160-T164 WeakPolarHBondContact O-CG2 3.05Å; V160-T164 PolarHBondContact O-N 3.01Å; V160-T164 PolarHBondContact O-OG1 3Å; V160-W238 HydrophobicContact CG1-CE3 4.37Å |
| 161 | V | 67.4 | Low | 64.5 | Low | 49 Ų | 49 | 77.9 Ų | 77.9 | 30% | 0.297 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | P158 T164 L165 | P158-V161 PolarHBondContact O-N 2.95Å; V161-T164 WeakPolarHBondContact CA-OG1 3.26Å; V161-T164 PolarHBondContact O-N 3.18Å; V161-T164 PolarHBondContact O-OG1 3.35Å; V161-L165 VanDerWaalsContact O-CB 3.3Å; V161-L165 WeakPolarHBondContact O-CB 3.49Å; V161-L165 PolarHBondContact O-N 3.33Å |
| 162 | L | 71.4 | Confident | 66.2 | Low | 119 Ų | 119 | 72.6 Ų | 72.6 | 62% | 0.623 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 176.3 | -156.6 | 108.1 | 0 | 0 | 0 | 111.4 | P158 H159 V160 L165 V166 | P158-L162 WeakPolarHBondContact O-CB 3.05Å; P158-L162 PolarHBondContact O-N 3.39Å; H159-L162 PolarHBondContact O-N 3Å; V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.08Å; L162-L165 PolarHBondContact O-N 3.49Å; L162-V166 WeakPolarHBondContact O-CG2 2.99Å; L162-V166 PolarHBondContact O-N 2.8Å |
| 163 | W | 69.7 | Low | 67.7 | Low | 132 Ų | 132 | 71.9 Ų | 71.9 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 175.4 | -176.2 | -93 | 0 | 0 | 0 | 112.1 | H159 V160 L165 V166 C167 W238 | H159-W163 WeakPolarHBondContact O-CB 3.47Å; H159-W163 PolarHBondContact O-N 2.66Å; V160-W163 PolarHBondContact O-N 3.42Å; W163-L165 VanDerWaalsContact C-N 3.3Å; W163-L165 PolarHBondContact O-N 3.31Å; W163-V166 PolarHBondContact O-N 3.47Å; W163-C167 WeakPolarHBondContact O-CB 3.17Å; W163-C167 PolarHBondContact O-N 3.33Å; W163-W238 AromaticContact CD1-CZ3 3.49Å; W163-W238 VanDerWaalsContact CD1-CZ3 3.49Å; W163-W238 HydrophobicContact CG-CZ3 4.11Å; W163-W238 AromaticContact NE1-CH2 3.76Å; W163-W238 AromaticContact NE1-CZ3 3.73Å |
| 164 | T | 66.6 | Low | 68.7 | Low | 9 Ų | 9 | 75.2 Ų | 75.2 | 6% | 0.055 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -35 | 176 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | V160 V161 C167 L168 W241 | V160-T164 HydrophobicContact CG1-CG2 4.43Å; V160-T164 WeakPolarHBondContact O-CG2 3.05Å; V160-T164 PolarHBondContact O-N 3.01Å; V160-T164 PolarHBondContact O-OG1 3Å; V161-T164 WeakPolarHBondContact CA-OG1 3.26Å; V161-T164 PolarHBondContact O-N 3.18Å; V161-T164 PolarHBondContact O-OG1 3.35Å; T164-C167 CarbonylContact O-C 3.53Å; T164-C167 PolarHBondContact O-N 2.8Å; T164-L168 WeakPolarHBondContact O-CB 3.35Å; T164-L168 PolarHBondContact O-N 2.84Å; T164-W241 HydrophobicContact CG2-CB 4.4Å; T164-W241 HydrophobicContact CG2-CD2 3.87Å; T164-W241 HydrophobicContact CG2-CG 3.6Å |
| 165 | L | 71.6 | Confident | 69.7 | Low | 110 Ų | 110 | 71.4 Ų | 71.4 | 58% | 0.576 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 172.6 | -171.4 | 71.3 | 0 | 0 | 0 | 112.5 | V161 L162 W163 L168 | V161-L165 VanDerWaalsContact O-CB 3.3Å; V161-L165 WeakPolarHBondContact O-CB 3.49Å; V161-L165 PolarHBondContact O-N 3.33Å; L162-L165 PolarHBondContact O-N 3.49Å; W163-L165 VanDerWaalsContact C-N 3.3Å; W163-L165 PolarHBondContact O-N 3.31Å; L165-L168 HydrophobicContact CD1-CD1 4.31Å; L165-L168 VanDerWaalsContact O-CB 3.28Å; L165-L168 WeakPolarHBondContact O-CB 3.43Å; L165-L168 PolarHBondContact O-N 2.87Å |
| 166 | V | 76 | Confident | 71.2 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.8 | -34.8 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | L162 W163 P169 | L162-V166 WeakPolarHBondContact O-CG2 2.99Å; L162-V166 PolarHBondContact O-N 2.8Å; W163-V166 PolarHBondContact O-N 3.47Å; V166-P169 VanDerWaalsContact O-CD 3.28Å; V166-P169 WeakPolarHBondContact O-CD 3.46Å; V166-P169 WeakPolarHBondContact O-CG 3.04Å |
| 167 | C | 66.9 | Low | 72.4 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -79.9 | -16.2 | 175.8 | -72 | 0 | 0 | 0 | 0 | 114 | W163 T164 V170 V171 W241 | W163-C167 WeakPolarHBondContact O-CB 3.17Å; W163-C167 PolarHBondContact O-N 3.33Å; T164-C167 CarbonylContact O-C 3.53Å; T164-C167 PolarHBondContact O-N 2.8Å; C167-V170 WeakPolarHBondContact O-CB 3.2Å; C167-V170 PolarHBondContact O-N 2.89Å; C167-V170 VanDerWaalsContact O-N 3.08Å; C167-V171 WeakPolarHBondContact O-CG2 3.43Å; C167-V171 PolarHBondContact O-N 3.09Å; C167-W241 HydrophobicContact CB-CH2 4.38Å; C167-W241 HydrophobicContact CB-CZ2 3.93Å |
| 168 | L | 70.6 | Confident | 73.1 | Confident | 50 Ų | 50 | 68 Ų | 68 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -51.4 | -47.7 | 179 | -167.2 | 155.1 | 0 | 0 | 0 | 114.1 | T164 L165 V170 V171 F172 A230 L234 | T164-L168 WeakPolarHBondContact O-CB 3.35Å; T164-L168 PolarHBondContact O-N 2.84Å; L165-L168 HydrophobicContact CD1-CD1 4.31Å; L165-L168 VanDerWaalsContact O-CB 3.28Å; L165-L168 WeakPolarHBondContact O-CB 3.43Å; L165-L168 PolarHBondContact O-N 2.87Å; L168-V170 VanDerWaalsContact C-N 3.31Å; L168-V170 PolarHBondContact O-N 3.47Å; L168-V171 PolarHBondContact O-N 3.45Å; L168-F172 WeakPolarHBondContact O-CB 3.31Å; L168-F172 PolarHBondContact O-N 3.36Å; L168-A230 HydrophobicContact CD1-CB 4.29Å; L168-A230 HydrophobicContact CD2-CB 3.75Å; L168-A230 HydrophobicContact CG-CB 3.81Å; L168-L234 HydrophobicContact CD1-CD1 4.36Å |
| 169 | P | 75.1 | Confident | 73.7 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 176.7 | 23.1 | -35.4 | 0 | 0 | 0 | 113.1 | V166 F172 I173 | V166-P169 VanDerWaalsContact O-CD 3.28Å; V166-P169 WeakPolarHBondContact O-CD 3.46Å; V166-P169 WeakPolarHBondContact O-CG 3.04Å; P169-F172 PolarHBondContact O-N 2.99Å; P169-I173 WeakPolarHBondContact O-CD1 3.1Å; P169-I173 WeakPolarHBondContact O-CG1 3.29Å; P169-I173 PolarHBondContact O-N 3.26Å |
| 170 | V | 74.6 | Confident | 74.3 | Confident | 86 Ų | 86 | 64 Ų | 64 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | C167 L168 I173 L174 | C167-V170 WeakPolarHBondContact O-CB 3.2Å; C167-V170 PolarHBondContact O-N 2.89Å; C167-V170 VanDerWaalsContact O-N 3.08Å; L168-V170 VanDerWaalsContact C-N 3.31Å; L168-V170 PolarHBondContact O-N 3.47Å; V170-I173 PolarHBondContact O-N 2.86Å; V170-L174 HydrophobicContact CG1-CD1 4.22Å; V170-L174 WeakPolarHBondContact O-CG 3.46Å; V170-L174 PolarHBondContact O-N 2.94Å |
| 171 | V | 71 | Confident | 74.9 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 172.9 | 160.2 | 0 | 0 | 0 | 0 | 111.1 | C167 L168 I173 L174 S175 M248 | C167-V171 WeakPolarHBondContact O-CG2 3.43Å; C167-V171 PolarHBondContact O-N 3.09Å; L168-V171 PolarHBondContact O-N 3.45Å; V171-I173 VanDerWaalsContact C-N 3.28Å; V171-I173 PolarHBondContact O-N 3.06Å; V171-L174 PolarHBondContact O-N 2.87Å; V171-S175 WeakPolarHBondContact O-CB 3.5Å; V171-S175 PolarHBondContact O-N 2.97Å; V171-S175 PolarHBondContact O-OG 3.42Å; V171-M248 HydrophobicContact CB-CE 4.45Å; V171-M248 HydrophobicContact CG1-CE 3.77Å; V171-M248 HydrophobicContact CG2-CE 4.17Å |
| 172 | F | 78.2 | Confident | 75.5 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 27% | 0.272 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 179.8 | 174.8 | -90.2 | 0 | 0 | 0 | 110.8 | L168 P169 F176 G226 | L168-F172 WeakPolarHBondContact O-CB 3.31Å; L168-F172 PolarHBondContact O-N 3.36Å; P169-F172 PolarHBondContact O-N 2.99Å; F172-F176 WeakPolarHBondContact O-CB 3.41Å; F172-F176 PolarHBondContact O-N 2.9Å; F172-G226 WeakPolarHBondContact CD2-O 3.49Å |
| 173 | I | 79.4 | Confident | 76.1 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.1 | -67.7 | 163.1 | 0 | 0 | 0 | 111 | P169 V170 V171 F176 V177 | P169-I173 WeakPolarHBondContact O-CD1 3.1Å; P169-I173 WeakPolarHBondContact O-CG1 3.29Å; P169-I173 PolarHBondContact O-N 3.26Å; V170-I173 PolarHBondContact O-N 2.86Å; V171-I173 VanDerWaalsContact C-N 3.28Å; V171-I173 PolarHBondContact O-N 3.06Å; I173-F176 PolarHBondContact O-N 3.48Å; I173-V177 HydrophobicContact CG2-CG2 4.39Å; I173-V177 WeakPolarHBondContact O-CB 3.1Å; I173-V177 VanDerWaalsContact O-CG2 3.27Å; I173-V177 WeakPolarHBondContact O-CG2 3.37Å; I173-V177 PolarHBondContact O-N 2.95Å |
| 174 | L | 74.6 | Confident | 76.8 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 56% | 0.555 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 179.5 | -71 | 171.7 | 0 | 0 | 0 | 111.6 | V170 V171 F176 V177 V178 | V170-L174 HydrophobicContact CG1-CD1 4.22Å; V170-L174 WeakPolarHBondContact O-CG 3.46Å; V170-L174 PolarHBondContact O-N 2.94Å; V171-L174 PolarHBondContact O-N 2.87Å; L174-F176 VanDerWaalsContact C-N 3.33Å; L174-F176 PolarHBondContact O-N 3.48Å; L174-V177 PolarHBondContact O-N 2.88Å; L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.14Å; L174-V178 PolarHBondContact O-N 2.95Å |
| 175 | S | 73.6 | Confident | 77.4 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 11% | 0.112 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 175.2 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | V171 V177 V178 S179 | V171-S175 WeakPolarHBondContact O-CB 3.5Å; V171-S175 PolarHBondContact O-N 2.97Å; V171-S175 PolarHBondContact O-OG 3.42Å; S175-V177 PolarHBondContact O-N 3.27Å; S175-V178 PolarHBondContact O-N 3.46Å; S175-S179 VanDerWaalsContact O-CB 3.31Å; S175-S179 WeakPolarHBondContact O-CB 3.35Å; S175-S179 PolarHBondContact O-N 2.91Å; S175-S179 PolarHBondContact O-OG 3.37Å; S175-S179 VanDerWaalsContact O-OG 3.09Å |
| 176 | F | 81.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176.2 | 178.5 | -90.2 | 0 | 0 | 0 | 111.7 | F172 I173 L174 F180 M219 A222 | F172-F176 WeakPolarHBondContact O-CB 3.41Å; F172-F176 PolarHBondContact O-N 2.9Å; I173-F176 PolarHBondContact O-N 3.48Å; L174-F176 VanDerWaalsContact C-N 3.33Å; L174-F176 PolarHBondContact O-N 3.48Å; F176-F180 WeakPolarHBondContact O-CB 3.27Å; F176-F180 PolarHBondContact O-N 2.98Å; F176-M219 HydrophobicContact CE2-CE 4.41Å; F176-M219 HydrophobicContact CE2-SD 4.24Å; F176-M219 HydrophobicContact CZ-CE 4.08Å; F176-M219 HydrophobicContact CZ-SD 3.67Å; F176-A222 HydrophobicContact CD2-CB 3.65Å; F176-A222 HydrophobicContact CE2-CB 3.64Å; F176-A222 HydrophobicContact CG-CB 4.45Å; F176-A222 HydrophobicContact CZ-CB 4.42Å |
| 177 | V | 80.2 | Confident | 78.2 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 178 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | I173 L174 S175 F180 Y181 | I173-V177 HydrophobicContact CG2-CG2 4.39Å; I173-V177 WeakPolarHBondContact O-CB 3.1Å; I173-V177 VanDerWaalsContact O-CG2 3.27Å; I173-V177 WeakPolarHBondContact O-CG2 3.37Å; I173-V177 PolarHBondContact O-N 2.95Å; L174-V177 PolarHBondContact O-N 2.88Å; S175-V177 PolarHBondContact O-N 3.27Å; V177-F180 PolarHBondContact O-N 3.22Å; V177-Y181 WeakPolarHBondContact O-CB 3.37Å; V177-Y181 PolarHBondContact O-N 2.91Å |
| 178 | V | 77.8 | Confident | 78.8 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.5 | -46.5 | 179 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L174 S175 F180 Y181 Y182 | L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.14Å; L174-V178 PolarHBondContact O-N 2.95Å; S175-V178 PolarHBondContact O-N 3.46Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 PolarHBondContact O-N 2.87Å; V178-Y181 PolarHBondContact O-N 3.19Å; V178-Y182 HydrophobicContact CG1-CD2 3.59Å; V178-Y182 HydrophobicContact CG1-CE2 3.46Å; V178-Y182 VanDerWaalsContact CG1-CE2 3.46Å; V178-Y182 VanDerWaalsContact O-CD2 3.26Å; V178-Y182 WeakPolarHBondContact O-CD2 3.4Å; V178-Y182 PolarHBondContact O-N 3.02Å |
| 179 | S | 80.2 | Confident | 79.3 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -36.4 | 175.4 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | S175 G183 L225 | S175-S179 VanDerWaalsContact O-CB 3.31Å; S175-S179 WeakPolarHBondContact O-CB 3.35Å; S175-S179 PolarHBondContact O-N 2.91Å; S175-S179 PolarHBondContact O-OG 3.37Å; S175-S179 VanDerWaalsContact O-OG 3.09Å; S179-G183 WeakPolarHBondContact O-CA 3.49Å; S179-G183 PolarHBondContact O-N 3.43Å; S179-L225 WeakPolarHBondContact OG-CD2 3.2Å |
| 180 | F | 84 | Confident | 79.4 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 37% | 0.373 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -50.3 | 172.1 | -178.6 | -93.1 | 0 | 0 | 0 | 110.1 | F176 V177 V178 G183 T184 I218 | F176-F180 WeakPolarHBondContact O-CB 3.27Å; F176-F180 PolarHBondContact O-N 2.98Å; V177-F180 PolarHBondContact O-N 3.22Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 PolarHBondContact O-N 2.87Å; F180-G183 PolarHBondContact O-N 3.41Å; F180-T184 HydrophobicContact CD1-CG2 3.8Å; F180-T184 HydrophobicContact CD2-CG2 4.45Å; F180-T184 HydrophobicContact CE1-CG2 3.53Å; F180-T184 HydrophobicContact CE2-CG2 4.21Å; F180-T184 HydrophobicContact CG-CG2 4.25Å; F180-T184 HydrophobicContact CZ-CG2 3.75Å; F180-T184 WeakPolarHBondContact O-CG2 3.4Å; F180-T184 PolarHBondContact O-N 2.87Å; F180-T184 PolarHBondContact O-OG1 3.47Å; F180-I218 HydrophobicContact CD2-CG2 3.27Å; F180-I218 HydrophobicContact CE2-CG2 3.55Å; F180-I218 HydrophobicContact CG-CG2 4.3Å |
| 181 | Y | 83.3 | Confident | 79.6 | Confident | 138 Ų | 138 | 67.1 Ų | 67.1 | 54% | 0.541 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.5 | -55.1 | 179.3 | 177 | -103.5 | 0 | 0 | 0 | 112.4 | V177 V178 G183 T184 I185 | V177-Y181 WeakPolarHBondContact O-CB 3.37Å; V177-Y181 PolarHBondContact O-N 2.91Å; V178-Y181 PolarHBondContact O-N 3.19Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; Y181-G183 PolarHBondContact O-N 3.44Å; Y181-T184 PolarHBondContact O-N 2.81Å; Y181-T184 PolarHBondContact O-OG1 3.05Å; Y181-I185 HydrophobicContact CD1-CD1 4.02Å; Y181-I185 HydrophobicContact CD2-CD1 4.36Å; Y181-I185 HydrophobicContact CE1-CD1 3.47Å; Y181-I185 VanDerWaalsContact CE1-CD1 3.47Å; Y181-I185 HydrophobicContact CE2-CD1 3.87Å; Y181-I185 HydrophobicContact CG-CD1 4.44Å; Y181-I185 WeakPolarHBondContact O-CG1 3.2Å; Y181-I185 PolarHBondContact O-N 3.18Å; Y181-I185 VanDerWaalsContact O-N 3.13Å |
| 182 | Y | 80 | Confident | 79.8 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 29% | 0.286 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.8 | -72.9 | -62.8 | 0 | 0 | 0 | 111.9 | V178 T184 I185 T186 E249 P267 | V178-Y182 HydrophobicContact CG1-CD2 3.59Å; V178-Y182 HydrophobicContact CG1-CE2 3.46Å; V178-Y182 VanDerWaalsContact CG1-CE2 3.46Å; V178-Y182 VanDerWaalsContact O-CD2 3.26Å; V178-Y182 WeakPolarHBondContact O-CD2 3.4Å; V178-Y182 PolarHBondContact O-N 3.02Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 2Å; Y182-I185 PolarHBondContact O-N 3.39Å; Y182-T186 PolarHBondContact O-N 3.19Å; Y182-T186 PolarHBondContact O-OG1 3.06Å; Y182-T186 VanDerWaalsContact O-OG1 3.06Å; Y182-E249 PolarHBondContact OH-OE1 3.49Å; Y182-P267 HydrophobicContact CE1-CG 3.99Å |
| 183 | G | 84.1 | Confident | 79.6 | Confident | 26 Ų | 26 | 71.4 Ų | 71.4 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S179 F180 Y181 W187 | S179-G183 WeakPolarHBondContact O-CA 3.49Å; S179-G183 PolarHBondContact O-N 3.43Å; F180-G183 PolarHBondContact O-N 3.41Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; Y181-G183 PolarHBondContact O-N 3.44Å; G183-W187 WeakPolarHBondContact O-CB 3.36Å; G183-W187 PolarHBondContact O-N 2.93Å |
| 184 | T | 82.5 | Confident | 79.1 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 176.9 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | F180 Y181 Y182 W187 Y188 Y214 I218 | F180-T184 HydrophobicContact CD1-CG2 3.8Å; F180-T184 HydrophobicContact CD2-CG2 4.45Å; F180-T184 HydrophobicContact CE1-CG2 3.53Å; F180-T184 HydrophobicContact CE2-CG2 4.21Å; F180-T184 HydrophobicContact CG-CG2 4.25Å; F180-T184 HydrophobicContact CZ-CG2 3.75Å; F180-T184 WeakPolarHBondContact O-CG2 3.4Å; F180-T184 PolarHBondContact O-N 2.87Å; F180-T184 PolarHBondContact O-OG1 3.47Å; Y181-T184 PolarHBondContact O-N 2.81Å; Y181-T184 PolarHBondContact O-OG1 3.05Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 2Å; T184-W187 PolarHBondContact O-N 3.08Å; T184-Y188 VanDerWaalsContact O-CB 3.31Å; T184-Y188 WeakPolarHBondContact O-CB 3.31Å; T184-Y188 PolarHBondContact O-N 3.2Å; T184-Y214 WeakPolarHBondContact CG2-OH 2.71Å; T184-I218 HydrophobicContact CG2-CD1 3.9Å |
| 185 | I | 80.8 | Confident | 78.8 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.9 | -47.9 | 178 | -67.6 | 171.7 | 0 | 0 | 0 | 110.4 | Y181 Y182 W187 Y188 N189 | Y181-I185 HydrophobicContact CD1-CD1 4.02Å; Y181-I185 HydrophobicContact CD2-CD1 4.36Å; Y181-I185 HydrophobicContact CE1-CD1 3.47Å; Y181-I185 VanDerWaalsContact CE1-CD1 3.47Å; Y181-I185 HydrophobicContact CE2-CD1 3.87Å; Y181-I185 HydrophobicContact CG-CD1 4.44Å; Y181-I185 WeakPolarHBondContact O-CG1 3.2Å; Y181-I185 PolarHBondContact O-N 3.18Å; Y181-I185 VanDerWaalsContact O-N 3.13Å; Y182-I185 PolarHBondContact O-N 3.39Å; I185-W187 VanDerWaalsContact C-N 3.3Å; I185-W187 PolarHBondContact O-N 3.4Å; I185-Y188 WeakPolarHBondContact O-CB 3.31Å; I185-Y188 PolarHBondContact O-N 3.32Å; I185-N189 PolarHBondContact O-N 3.14Å; I185-N189 PolarHBondContact O-ND2 3.47Å |
| 186 | T | 81.5 | Confident | 78.6 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.6 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | Y182 Y188 N189 I190 | Y182-T186 PolarHBondContact O-N 3.19Å; Y182-T186 PolarHBondContact O-OG1 3.06Å; Y182-T186 VanDerWaalsContact O-OG1 3.06Å; T186-Y188 PolarHBondContact O-N 3.27Å; T186-N189 PolarHBondContact O-N 3.03Å; T186-I190 HydrophobicContact CG2-CD1 4.13Å; T186-I190 WeakPolarHBondContact O-CG1 3.49Å; T186-I190 PolarHBondContact O-N 2.87Å |
| 187 | W | 82.5 | Confident | 77.5 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 17% | 0.167 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.6 | -170.3 | -90.4 | 0 | 0 | 0 | 112.5 | G183 T184 I185 N189 I190 F191 L210 Y214 L217 I218 | G183-W187 WeakPolarHBondContact O-CB 3.36Å; G183-W187 PolarHBondContact O-N 2.93Å; T184-W187 PolarHBondContact O-N 3.08Å; I185-W187 VanDerWaalsContact C-N 3.3Å; I185-W187 PolarHBondContact O-N 3.4Å; W187-N189 VanDerWaalsContact C-N 3.33Å; W187-N189 PolarHBondContact O-N 2.97Å; W187-I190 PolarHBondContact O-N 3.1Å; W187-F191 WeakPolarHBondContact O-CB 3.34Å; W187-F191 PolarHBondContact O-N 3.09Å; W187-L210 HydrophobicContact CH2-CD2 3.54Å; W187-L210 HydrophobicContact CZ2-CB 4Å; W187-L210 HydrophobicContact CZ2-CD2 3.55Å; W187-L210 HydrophobicContact CZ2-CG 4.37Å; W187-L210 WeakPolarHBondContact CZ2-O 3.5Å; W187-Y214 HydrophobicContact CB-CD2 4.04Å; W187-Y214 HydrophobicContact CB-CE2 3.84Å; W187-Y214 AromaticContact CD1-CD2 3.12Å; W187-Y214 AromaticContact CD1-CE2 3.46Å; W187-Y214 VanDerWaalsContact CD1-CE2 3.46Å; W187-Y214 AromaticContact CD1-CG 3.97Å; W187-Y214 AromaticContact CD2-CD2 3.59Å; W187-Y214 HydrophobicContact CD2-CD2 3.59Å; W187-Y214 HydrophobicContact CD2-CE2 4.31Å; W187-Y214 AromaticContact CE2-CD2 3.62Å; W187-Y214 HydrophobicContact CE3-CD2 4.49Å; W187-Y214 AromaticContact CG-CD2 3.3Å; W187-Y214 HydrophobicContact CG-CD2 3.3Å; W187-Y214 AromaticContact CG-CE2 3.57Å; W187-Y214 HydrophobicContact CG-CE2 3.57Å; W187-Y214 HydrophobicContact CG-CG 4.43Å; W187-Y214 AromaticContact NE1-CD2 3.3Å; W187-Y214 VanDerWaalsContact NE1-CD2 3.3Å; W187-Y214 AromaticContact NE1-CG 3.76Å; W187-L217 HydrophobicContact CH2-CD1 3.73Å; W187-L217 HydrophobicContact CZ3-CD1 3.81Å; W187-I218 HydrophobicContact CB-CD1 4.49Å |
| 188 | Y | 79.6 | Confident | 76.2 | Confident | 152 Ų | 152 | 87.7 Ų | 87.7 | 60% | 0.596 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 175.4 | -178.5 | -97.1 | 0 | 0 | 0 | 111.7 | T184 I185 T186 F191 L192 | T184-Y188 VanDerWaalsContact O-CB 3.31Å; T184-Y188 WeakPolarHBondContact O-CB 3.31Å; T184-Y188 PolarHBondContact O-N 3.2Å; I185-Y188 WeakPolarHBondContact O-CB 3.31Å; I185-Y188 PolarHBondContact O-N 3.32Å; T186-Y188 PolarHBondContact O-N 3.27Å; Y188-F191 WeakPolarHBondContact O-CB 3.41Å; Y188-F191 PolarHBondContact O-N 2.88Å; Y188-L192 HydrophobicContact CE1-CD1 4.16Å; Y188-L192 WeakPolarHBondContact O-CB 3.26Å; Y188-L192 PolarHBondContact O-N 3.05Å |
| 189 | N | 80.2 | Confident | 75.1 | Confident | 88 Ų | 88 | 89.4 Ų | 89.4 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 174.8 | -75.4 | -33.6 | 0 | 0 | 0 | 112 | I185 T186 W187 F191 L192 V193 | I185-N189 PolarHBondContact O-N 3.14Å; I185-N189 PolarHBondContact O-ND2 3.47Å; T186-N189 PolarHBondContact O-N 3.03Å; W187-N189 VanDerWaalsContact C-N 3.33Å; W187-N189 PolarHBondContact O-N 2.97Å; N189-F191 VanDerWaalsContact C-N 3.32Å; N189-F191 PolarHBondContact O-N 3.25Å; N189-L192 PolarHBondContact O-N 3.4Å; N189-V193 WeakPolarHBondContact O-CG2 3.45Å; N189-V193 PolarHBondContact O-N 3.24Å |
| 190 | I | 77.8 | Confident | 74.1 | Confident | 74 Ų | 74 | 96.9 Ų | 96.9 | 38% | 0.379 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 174.5 | -70.1 | 165.1 | 0 | 0 | 0 | 110.4 | T186 W187 L192 V193 Y194 | T186-I190 HydrophobicContact CG2-CD1 4.13Å; T186-I190 WeakPolarHBondContact O-CG1 3.49Å; T186-I190 PolarHBondContact O-N 2.87Å; W187-I190 PolarHBondContact O-N 3.1Å; I190-L192 VanDerWaalsContact C-N 3.3Å; I190-L192 PolarHBondContact O-N 3Å; I190-V193 PolarHBondContact O-N 2.87Å; I190-Y194 WeakPolarHBondContact O-CB 3.07Å; I190-Y194 PolarHBondContact O-N 3.1Å |
| 191 | F | 77.9 | Confident | 72.9 | Confident | 58 Ų | 58 | 103.7 Ų | 103.7 | 25% | 0.254 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 177.8 | -178.4 | -97.9 | 0 | 0 | 0 | 111.8 | W187 Y188 N189 N195 C207 I211 | W187-F191 WeakPolarHBondContact O-CB 3.34Å; W187-F191 PolarHBondContact O-N 3.09Å; Y188-F191 WeakPolarHBondContact O-CB 3.41Å; Y188-F191 PolarHBondContact O-N 2.88Å; N189-F191 VanDerWaalsContact C-N 3.32Å; N189-F191 PolarHBondContact O-N 3.25Å; F191-N195 VanDerWaalsContact O-CB 3.26Å; F191-N195 WeakPolarHBondContact O-CB 3.24Å; F191-N195 PolarHBondContact O-N 3.33Å; F191-C207 VanDerWaalsContact CE2-SG 3.57Å; F191-I211 HydrophobicContact CE2-CD1 3.94Å; F191-I211 HydrophobicContact CE2-CG1 4.02Å; F191-I211 HydrophobicContact CZ-CD1 4.35Å |
| 192 | L | 75.2 | Confident | 71.9 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 41% | 0.408 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 179.2 | -159.3 | 160 | 0 | 0 | 0 | 111.1 | Y188 N189 I190 Y194 N195 E196 | Y188-L192 HydrophobicContact CE1-CD1 4.16Å; Y188-L192 WeakPolarHBondContact O-CB 3.26Å; Y188-L192 PolarHBondContact O-N 3.05Å; N189-L192 PolarHBondContact O-N 3.4Å; I190-L192 VanDerWaalsContact C-N 3.3Å; I190-L192 PolarHBondContact O-N 3Å; L192-Y194 PolarHBondContact O-N 3.23Å; L192-N195 WeakPolarHBondContact O-CB 3.31Å; L192-N195 PolarHBondContact O-N 2.97Å; L192-E196 PolarHBondContact O-N 3.07Å |
| 193 | V | 74.1 | Confident | 71.2 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | N189 I190 N195 E196 E197 | N189-V193 WeakPolarHBondContact O-CG2 3.45Å; N189-V193 PolarHBondContact O-N 3.24Å; I190-V193 PolarHBondContact O-N 2.87Å; V193-N195 VanDerWaalsContact C-N 3.25Å; V193-N195 PolarHBondContact O-N 3.23Å; V193-E196 PolarHBondContact O-N 3.08Å; V193-E197 PolarHBondContact O-N 3.49Å |
| 194 | Y | 69.6 | Low | 70.4 | Confident | 107 Ų | 107 | 108 Ų | 108 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.3 | -21.2 | 179.6 | -128 | -79.4 | 0 | 0 | 0 | 113.3 | I190 L192 Y206 L210 | I190-Y194 WeakPolarHBondContact O-CB 3.07Å; I190-Y194 PolarHBondContact O-N 3.1Å; L192-Y194 PolarHBondContact O-N 3.23Å; Y194-Y206 AromaticContact CD1-CD1 3.46Å; Y194-Y206 HydrophobicContact CD1-CD1 3.46Å; Y194-Y206 VanDerWaalsContact CD1-CD1 3.46Å; Y194-Y206 AromaticContact CD1-CE1 3.5Å; Y194-Y206 HydrophobicContact CD1-CE1 3.5Å; Y194-Y206 VanDerWaalsContact CD1-CE1 3.5Å; Y194-Y206 HydrophobicContact CD2-CE1 4.01Å; Y194-Y206 AromaticContact CE1-CD1 3.17Å; Y194-Y206 HydrophobicContact CE1-CD1 3.17Å; Y194-Y206 AromaticContact CE1-CE1 3.1Å; Y194-Y206 HydrophobicContact CE1-CE1 3.1Å; Y194-Y206 HydrophobicContact CE1-CG 4.1Å; Y194-Y206 AromaticContact CE2-CE1 3.66Å; Y194-Y206 HydrophobicContact CE2-CE1 3.66Å; Y194-Y206 HydrophobicContact CG-CD1 4.26Å; Y194-Y206 AromaticContact CG-CE1 3.92Å; Y194-Y206 HydrophobicContact CG-CE1 3.92Å; Y194-Y206 AromaticContact CZ-CD1 3.77Å; Y194-Y206 AromaticContact CZ-CE1 3.17Å; Y194-Y206 AromaticContact CZ-CZ 3.7Å; Y194-L210 HydrophobicContact CG-CD1 4.41Å |
| 195 | N | 68.4 | Low | 70 | Confident | 64 Ų | 64 | 110.1 Ų | 110.1 | 34% | 0.342 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.5 | -31.2 | 174.8 | -159 | -66.5 | 0 | 0 | 0 | 112 | F191 L192 V193 K203 | F191-N195 VanDerWaalsContact O-CB 3.26Å; F191-N195 WeakPolarHBondContact O-CB 3.24Å; F191-N195 PolarHBondContact O-N 3.33Å; L192-N195 WeakPolarHBondContact O-CB 3.31Å; L192-N195 PolarHBondContact O-N 2.97Å; V193-N195 VanDerWaalsContact C-N 3.25Å; V193-N195 PolarHBondContact O-N 3.23Å; N195-K203 PolarHBondContact O-NZ 3.35Å; N195-K203 WeakPolarHBondContact OD1-CE 3.4Å; N195-K203 PolarHBondContact OD1-NZ 3.44Å |
| 196 | E | 68.9 | Low | 69.7 | Low | 154 Ų | 154 | 111.8 Ų | 111.8 | 72% | 0.72 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -84 | -34 | -173.4 | -150.4 | 169.1 | -168.9 | 0 | 0 | 112.3 | L192 V193 | L192-E196 PolarHBondContact O-N 3.07Å; V193-E196 PolarHBondContact O-N 3.08Å |
| 197 | E | 59.7 | Low | 69.2 | Low | 145 Ų | 145 | 109.4 Ų | 109.4 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -103.3 | 105.1 | -178.1 | -65.6 | -167.8 | 174.4 | 0 | 0 | 114.7 | V193 | V193-E197 PolarHBondContact O-N 3.49Š|
| 198 | R | 51.3 | Low | 69 | Low | 221 Ų | 221 | 110.6 Ų | 110.6 | 83% | 0.834 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 86.3 | 133.1 | 153.1 | -59.1 | -130.1 | -176.4 | 157 | 1.5 | 121.9 | ||
| 199 | T | 55.8 | Low | 69 | Low | 100 Ų | 100 | 106 Ų | 106 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | trans | 43.9 | 125.9 | 161.9 | 67.7 | 0 | 0 | 0 | 0 | 120.6 | W201 H202 K203 | T199-W201 VanDerWaalsContact C-N 3.26Å; T199-W201 PolarHBondContact O-N 3.09Å; T199-H202 PolarHBondContact O-N 3.15Å; T199-H202 VanDerWaalsContact O-N 3.11Å; T199-K203 PolarHBondContact O-N 2.89Å | ||
| 200 | F | 58.2 | Low | 68.9 | Low | 184 Ų | 184 | 102.7 Ų | 102.7 | 81% | 0.807 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -51.5 | -32.1 | -176.5 | -81.6 | -86.6 | 0 | 0 | 0 | 115.8 | I204 | F200-I204 PolarHBondContact O-N 3.46Å |
| 201 | W | 59.3 | Low | 69.1 | Low | 227 Ų | 227 | 103.8 Ų | 103.8 | 86% | 0.86 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -77.5 | -34.1 | -178.8 | -86.5 | 65.7 | 0 | 0 | 0 | 113.4 | T199 | T199-W201 VanDerWaalsContact C-N 3.26Å; T199-W201 PolarHBondContact O-N 3.09Å |
| 202 | H | 62.2 | Low | 69.5 | Low | 98 Ų | 98 | 106.7 Ų | 106.7 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.8 | -32.7 | 174.4 | -134.2 | -89.1 | 0 | 0 | 0 | 110.6 | T199 I204 S205 Y206 | T199-H202 PolarHBondContact O-N 3.15Å; T199-H202 VanDerWaalsContact O-N 3.11Å; H202-I204 VanDerWaalsContact C-N 3.34Å; H202-I204 PolarHBondContact O-N 3.23Å; H202-S205 PolarHBondContact O-N 2.87Å; H202-Y206 AromaticContact CE1-CD2 3.93Å; H202-Y206 AromaticContact CE1-CG 3.96Å; H202-Y206 AromaticContact ND1-CG 3.83Å; H202-Y206 WeakPolarHBondContact O-CB 3.24Å; H202-Y206 PolarHBondContact O-N 3.3Å |
| 203 | K | 64.9 | Low | 69.9 | Low | 96 Ų | 96 | 108.1 Ų | 108.1 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | 174.8 | -159.3 | 164.1 | -174.9 | 152.1 | 0 | 113.4 | N195 T199 C207 | N195-K203 PolarHBondContact O-NZ 3.35Å; N195-K203 WeakPolarHBondContact OD1-CE 3.4Å; N195-K203 PolarHBondContact OD1-NZ 3.44Å; T199-K203 PolarHBondContact O-N 2.89Å; K203-C207 WeakPolarHBondContact O-CB 3.17Å |
| 204 | I | 68.6 | Low | 70.4 | Confident | 134 Ų | 134 | 107.2 Ų | 107.2 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.7 | -30.4 | 179.6 | -135.3 | 77.8 | 0 | 0 | 0 | 113.1 | F200 H202 P208 | F200-I204 PolarHBondContact O-N 3.46Å; H202-I204 VanDerWaalsContact C-N 3.34Å; H202-I204 PolarHBondContact O-N 3.23Å; I204-P208 VanDerWaalsContact O-CD 3.25Å; I204-P208 WeakPolarHBondContact O-CD 3.5Å; I204-P208 WeakPolarHBondContact O-CG 3.28Å |
| 205 | S | 72.7 | Confident | 71.2 | Confident | 75 Ų | 75 | 105.2 Ų | 105.2 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -102.8 | -40.1 | -172.7 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | H202 P208 C209 | H202-S205 PolarHBondContact O-N 2.87Å; S205-P208 WeakPolarHBondContact O-CG 3.47Å; S205-C209 PolarHBondContact O-SG 3.46Å |
| 206 | Y | 74.5 | Confident | 72.1 | Confident | 83 Ų | 83 | 106.7 Ų | 106.7 | 33% | 0.325 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -84.2 | -35.4 | -174.5 | -166.8 | -102.3 | 0 | 0 | 0 | 113 | Y194 H202 C209 L210 | Y194-Y206 AromaticContact CD1-CD1 3.46Å; Y194-Y206 HydrophobicContact CD1-CD1 3.46Å; Y194-Y206 VanDerWaalsContact CD1-CD1 3.46Å; Y194-Y206 AromaticContact CD1-CE1 3.5Å; Y194-Y206 HydrophobicContact CD1-CE1 3.5Å; Y194-Y206 VanDerWaalsContact CD1-CE1 3.5Å; Y194-Y206 HydrophobicContact CD2-CE1 4.01Å; Y194-Y206 AromaticContact CE1-CD1 3.17Å; Y194-Y206 HydrophobicContact CE1-CD1 3.17Å; Y194-Y206 AromaticContact CE1-CE1 3.1Å; Y194-Y206 HydrophobicContact CE1-CE1 3.1Å; Y194-Y206 HydrophobicContact CE1-CG 4.1Å; Y194-Y206 AromaticContact CE2-CE1 3.66Å; Y194-Y206 HydrophobicContact CE2-CE1 3.66Å; Y194-Y206 HydrophobicContact CG-CD1 4.26Å; Y194-Y206 AromaticContact CG-CE1 3.92Å; Y194-Y206 HydrophobicContact CG-CE1 3.92Å; Y194-Y206 AromaticContact CZ-CD1 3.77Å; Y194-Y206 AromaticContact CZ-CE1 3.17Å; Y194-Y206 AromaticContact CZ-CZ 3.7Å; H202-Y206 AromaticContact CE1-CD2 3.93Å; H202-Y206 AromaticContact CE1-CG 3.96Å; H202-Y206 AromaticContact ND1-CG 3.83Å; H202-Y206 WeakPolarHBondContact O-CB 3.24Å; H202-Y206 PolarHBondContact O-N 3.3Å; Y206-C209 PolarHBondContact O-N 3.03Å; Y206-L210 HydrophobicContact CD1-CD1 3.56Å; Y206-L210 HydrophobicContact CD1-CG 3.93Å; Y206-L210 HydrophobicContact CE1-CD1 3.29Å; Y206-L210 HydrophobicContact CE1-CD2 4.08Å; Y206-L210 HydrophobicContact CE1-CG 3.61Å; Y206-L210 PolarHBondContact O-N 3.14Å |
| 207 | C | 72.4 | Confident | 72.9 | Confident | 31 Ų | 31 | 103.2 Ų | 103.2 | 21% | 0.209 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -59.2 | -50 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 113.5 | F191 K203 C209 L210 I211 | F191-C207 VanDerWaalsContact CE2-SG 3.57Å; K203-C207 WeakPolarHBondContact O-CB 3.17Å; C207-C209 VanDerWaalsContact C-N 3.33Å; C207-C209 PolarHBondContact O-N 3.44Å; C207-L210 PolarHBondContact O-N 2.96Å; C207-I211 WeakPolarHBondContact O-CG1 3.44Å; C207-I211 PolarHBondContact O-N 3.44Å; C207-I211 VanDerWaalsContact O-N 3.14Å |
| 208 | P | 78.7 | Confident | 74.2 | Confident | 69 Ų | 69 | 97 Ų | 97 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.7 | -33.1 | 176.3 | 26.7 | -34.6 | 0 | 0 | 0 | 112.3 | I204 S205 I211 L212 | I204-P208 VanDerWaalsContact O-CD 3.25Å; I204-P208 WeakPolarHBondContact O-CD 3.5Å; I204-P208 WeakPolarHBondContact O-CG 3.28Å; S205-P208 WeakPolarHBondContact O-CG 3.47Å; P208-I211 PolarHBondContact O-N 2.8Å; P208-L212 WeakPolarHBondContact O-CB 3.33Å; P208-L212 PolarHBondContact O-N 3.22Å |
| 209 | C | 78.6 | Confident | 75.8 | Confident | 55 Ų | 55 | 90.9 Ų | 90.9 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 174 | -72.8 | 0 | 0 | 0 | 0 | 111.6 | S205 Y206 C207 I211 L212 F213 | S205-C209 PolarHBondContact O-SG 3.46Å; Y206-C209 PolarHBondContact O-N 3.03Å; C207-C209 VanDerWaalsContact C-N 3.33Å; C207-C209 PolarHBondContact O-N 3.44Å; C209-I211 PolarHBondContact O-N 3.21Å; C209-L212 PolarHBondContact O-N 3.5Å; C209-F213 HydrophobicContact CB-CD2 4.23Å; C209-F213 HydrophobicContact CB-CE2 4.21Å; C209-F213 WeakPolarHBondContact O-CB 3.28Å; C209-F213 WeakPolarHBondContact O-CD2 3Å; C209-F213 PolarHBondContact O-N 3.42Å |
| 210 | L | 78.1 | Confident | 77.3 | Confident | 19 Ų | 19 | 88.9 Ų | 88.9 | 10% | 0.099 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58 | -48 | 176.1 | -83.5 | 174.1 | 0 | 0 | 0 | 111.6 | W187 Y194 Y206 C207 L212 F213 Y214 | W187-L210 HydrophobicContact CH2-CD2 3.54Å; W187-L210 HydrophobicContact CZ2-CB 4Å; W187-L210 HydrophobicContact CZ2-CD2 3.55Å; W187-L210 HydrophobicContact CZ2-CG 4.37Å; W187-L210 WeakPolarHBondContact CZ2-O 3.5Å; Y194-L210 HydrophobicContact CG-CD1 4.41Å; Y206-L210 HydrophobicContact CD1-CD1 3.56Å; Y206-L210 HydrophobicContact CD1-CG 3.93Å; Y206-L210 HydrophobicContact CE1-CD1 3.29Å; Y206-L210 HydrophobicContact CE1-CD2 4.08Å; Y206-L210 HydrophobicContact CE1-CG 3.61Å; Y206-L210 PolarHBondContact O-N 3.14Å; C207-L210 PolarHBondContact O-N 2.96Å; L210-L212 PolarHBondContact O-N 3.19Å; L210-F213 PolarHBondContact O-N 3.21Å; L210-Y214 WeakPolarHBondContact O-CB 3.38Å; L210-Y214 PolarHBondContact O-N 2.96Å |
| 211 | I | 82.1 | Confident | 78.5 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 178.8 | -65 | 167.2 | 0 | 0 | 0 | 111.4 | F191 C207 P208 C209 Y214 P215 | F191-I211 HydrophobicContact CE2-CD1 3.94Å; F191-I211 HydrophobicContact CE2-CG1 4.02Å; F191-I211 HydrophobicContact CZ-CD1 4.35Å; C207-I211 WeakPolarHBondContact O-CG1 3.44Å; C207-I211 PolarHBondContact O-N 3.44Å; C207-I211 VanDerWaalsContact O-N 3.14Å; P208-I211 PolarHBondContact O-N 2.8Å; C209-I211 PolarHBondContact O-N 3.21Å; I211-Y214 WeakPolarHBondContact O-CB 3.47Å; I211-P215 WeakPolarHBondContact O-CD 3.3Å |
| 212 | L | 85.5 | Confident | 79.6 | Confident | 119 Ų | 119 | 74.9 Ų | 74.9 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -75.3 | -36.6 | 179.6 | -169.7 | 143.6 | 0 | 0 | 0 | 112.8 | P208 C209 L210 P215 | P208-L212 WeakPolarHBondContact O-CB 3.33Å; P208-L212 PolarHBondContact O-N 3.22Å; C209-L212 PolarHBondContact O-N 3.5Å; L210-L212 PolarHBondContact O-N 3.19Å; L212-P215 WeakPolarHBondContact O-CD 3.47Å |
| 213 | F | 85.2 | Confident | 80.6 | Confident | 109 Ų | 109 | 72.3 Ų | 72.3 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -81.8 | -20.3 | 177.2 | -72.4 | -63.6 | 0 | 0 | 0 | 113.5 | C209 L210 V216 L217 | C209-F213 HydrophobicContact CB-CD2 4.23Å; C209-F213 HydrophobicContact CB-CE2 4.21Å; C209-F213 WeakPolarHBondContact O-CB 3.28Å; C209-F213 WeakPolarHBondContact O-CD2 3Å; C209-F213 PolarHBondContact O-N 3.42Å; L210-F213 PolarHBondContact O-N 3.21Å; F213-V216 PolarHBondContact O-N 3.48Å; F213-V216 VanDerWaalsContact O-N 3.13Å; F213-L217 HydrophobicContact CB-CD1 4.02Å; F213-L217 HydrophobicContact CB-CG 4.36Å; F213-L217 WeakPolarHBondContact O-CB 3.43Å; F213-L217 WeakPolarHBondContact O-CG 3.32Å; F213-L217 PolarHBondContact O-N 3.47Å |
| 214 | Y | 84.3 | Confident | 81.4 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 26% | 0.255 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -45.2 | -58.3 | 177.3 | 167.1 | -110.8 | 0 | 0 | 0 | 114.7 | T184 W187 L210 I211 V216 L217 I218 | T184-Y214 WeakPolarHBondContact CG2-OH 2.71Å; W187-Y214 HydrophobicContact CB-CD2 4.04Å; W187-Y214 HydrophobicContact CB-CE2 3.84Å; W187-Y214 AromaticContact CD1-CD2 3.12Å; W187-Y214 AromaticContact CD1-CE2 3.46Å; W187-Y214 VanDerWaalsContact CD1-CE2 3.46Å; W187-Y214 AromaticContact CD1-CG 3.97Å; W187-Y214 AromaticContact CD2-CD2 3.59Å; W187-Y214 HydrophobicContact CD2-CD2 3.59Å; W187-Y214 HydrophobicContact CD2-CE2 4.31Å; W187-Y214 AromaticContact CE2-CD2 3.62Å; W187-Y214 HydrophobicContact CE3-CD2 4.49Å; W187-Y214 AromaticContact CG-CD2 3.3Å; W187-Y214 HydrophobicContact CG-CD2 3.3Å; W187-Y214 AromaticContact CG-CE2 3.57Å; W187-Y214 HydrophobicContact CG-CE2 3.57Å; W187-Y214 HydrophobicContact CG-CG 4.43Å; W187-Y214 AromaticContact NE1-CD2 3.3Å; W187-Y214 VanDerWaalsContact NE1-CD2 3.3Å; W187-Y214 AromaticContact NE1-CG 3.76Å; L210-Y214 WeakPolarHBondContact O-CB 3.38Å; L210-Y214 PolarHBondContact O-N 2.96Å; I211-Y214 WeakPolarHBondContact O-CB 3.47Å; Y214-V216 VanDerWaalsContact C-N 3.27Å; Y214-V216 PolarHBondContact O-N 3.12Å; Y214-L217 PolarHBondContact O-N 3.47Å; Y214-I218 HydrophobicContact CD2-CD1 3.75Å; Y214-I218 HydrophobicContact CD2-CG1 3.99Å; Y214-I218 HydrophobicContact CE2-CD1 3.09Å; Y214-I218 HydrophobicContact CE2-CG1 3.85Å; Y214-I218 WeakPolarHBondContact O-CB 3.4Å; Y214-I218 PolarHBondContact O-N 3.01Å |
| 215 | P | 86.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | -177.1 | 26.2 | -34.3 | 0 | 0 | 0 | 111.5 | I211 L212 M219 | I211-P215 WeakPolarHBondContact O-CD 3.3Å; L212-P215 WeakPolarHBondContact O-CD 3.47Å; P215-M219 WeakPolarHBondContact O-CB 3.28Å; P215-M219 WeakPolarHBondContact O-CG 3.48Å; P215-M219 PolarHBondContact O-N 3.4Å |
| 216 | V | 87.8 | Confident | 81.9 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.6 | -45.7 | -180 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | F213 Y214 A220 | F213-V216 PolarHBondContact O-N 3.48Å; F213-V216 VanDerWaalsContact O-N 3.13Å; Y214-V216 VanDerWaalsContact C-N 3.27Å; Y214-V216 PolarHBondContact O-N 3.12Å; V216-A220 VanDerWaalsContact O-CB 3.29Å; V216-A220 WeakPolarHBondContact O-CB 3.28Å; V216-A220 PolarHBondContact O-N 2.79Å |
| 217 | L | 84.1 | Confident | 82.1 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | -179.6 | -68.7 | 174.3 | 0 | 0 | 0 | 111.7 | W187 F213 Y214 A220 M221 | W187-L217 HydrophobicContact CH2-CD1 3.73Å; W187-L217 HydrophobicContact CZ3-CD1 3.81Å; F213-L217 HydrophobicContact CB-CD1 4.02Å; F213-L217 HydrophobicContact CB-CG 4.36Å; F213-L217 WeakPolarHBondContact O-CB 3.43Å; F213-L217 WeakPolarHBondContact O-CG 3.32Å; F213-L217 PolarHBondContact O-N 3.47Å; Y214-L217 PolarHBondContact O-N 3.47Å; L217-A220 PolarHBondContact O-N 3.43Å; L217-M221 WeakPolarHBondContact O-CB 3.21Å; L217-M221 WeakPolarHBondContact O-CG 3.32Å; L217-M221 PolarHBondContact O-N 2.95Å |
| 218 | I | 87 | Confident | 82.4 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 176.4 | -76.6 | -156.4 | 0 | 0 | 0 | 111.4 | F180 T184 W187 Y214 A220 M221 A222 | F180-I218 HydrophobicContact CD2-CG2 3.27Å; F180-I218 HydrophobicContact CE2-CG2 3.55Å; F180-I218 HydrophobicContact CG-CG2 4.3Å; T184-I218 HydrophobicContact CG2-CD1 3.9Å; W187-I218 HydrophobicContact CB-CD1 4.49Å; Y214-I218 HydrophobicContact CD2-CD1 3.75Å; Y214-I218 HydrophobicContact CD2-CG1 3.99Å; Y214-I218 HydrophobicContact CE2-CD1 3.09Å; Y214-I218 HydrophobicContact CE2-CG1 3.85Å; Y214-I218 WeakPolarHBondContact O-CB 3.4Å; Y214-I218 PolarHBondContact O-N 3.01Å; I218-A220 VanDerWaalsContact C-N 3.33Å; I218-A220 PolarHBondContact O-N 3.3Å; I218-M221 PolarHBondContact O-N 2.98Å; I218-A222 WeakPolarHBondContact O-CB 3.26Å; I218-A222 PolarHBondContact O-N 2.97Å |
| 219 | M | 86.6 | Confident | 81.9 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 178 | -71.4 | -67.2 | -64.6 | 0 | 0 | 111.4 | F176 P215 S223 | F176-M219 HydrophobicContact CE2-CE 4.41Å; F176-M219 HydrophobicContact CE2-SD 4.24Å; F176-M219 HydrophobicContact CZ-CE 4.08Å; F176-M219 HydrophobicContact CZ-SD 3.67Å; P215-M219 WeakPolarHBondContact O-CB 3.28Å; P215-M219 WeakPolarHBondContact O-CG 3.48Å; P215-M219 PolarHBondContact O-N 3.4Å; M219-S223 WeakPolarHBondContact O-CB 3.15Å; M219-S223 PolarHBondContact O-N 2.91Å; M219-S223 PolarHBondContact O-OG 3.09Å |
| 220 | A | 87.3 | Confident | 81.4 | Confident | 57 Ų | 57 | 62 Ų | 62 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V216 L217 I218 S224 | V216-A220 VanDerWaalsContact O-CB 3.29Å; V216-A220 WeakPolarHBondContact O-CB 3.28Å; V216-A220 PolarHBondContact O-N 2.79Å; L217-A220 PolarHBondContact O-N 3.43Å; I218-A220 VanDerWaalsContact C-N 3.33Å; I218-A220 PolarHBondContact O-N 3.3Å; A220-S224 WeakPolarHBondContact O-CB 3.31Å; A220-S224 PolarHBondContact O-N 3.38Å; A220-S224 PolarHBondContact O-OG 3.29Å |
| 221 | M | 82.6 | Confident | 81.1 | Confident | 114 Ų | 114 | 65.5 Ų | 65.5 | 56% | 0.562 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.8 | -45.2 | -179.8 | -65.2 | -63.5 | -78.9 | 0 | 0 | 111.6 | L217 I218 S223 S224 L225 | L217-M221 WeakPolarHBondContact O-CB 3.21Å; L217-M221 WeakPolarHBondContact O-CG 3.32Å; L217-M221 PolarHBondContact O-N 2.95Å; I218-M221 PolarHBondContact O-N 2.98Å; M221-S223 VanDerWaalsContact C-N 3.33Å; M221-S223 PolarHBondContact O-N 3.14Å; M221-S224 PolarHBondContact O-N 2.91Å; M221-S224 PolarHBondContact O-OG 3.15Å; M221-L225 WeakPolarHBondContact O-CB 3.5Å; M221-L225 WeakPolarHBondContact O-CD1 3.35Å; M221-L225 PolarHBondContact O-N 2.87Å |
| 222 | A | 83.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F176 I218 G226 | F176-A222 HydrophobicContact CD2-CB 3.65Å; F176-A222 HydrophobicContact CE2-CB 3.64Å; F176-A222 HydrophobicContact CG-CB 4.45Å; F176-A222 HydrophobicContact CZ-CB 4.42Å; I218-A222 WeakPolarHBondContact O-CB 3.26Å; I218-A222 PolarHBondContact O-N 2.97Å; A222-G226 PolarHBondContact O-N 3.46Å |
| 223 | S | 82.5 | Confident | 79.3 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 176.3 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | M219 M221 G226 L227 | M219-S223 WeakPolarHBondContact O-CB 3.15Å; M219-S223 PolarHBondContact O-N 2.91Å; M219-S223 PolarHBondContact O-OG 3.09Å; M221-S223 VanDerWaalsContact C-N 3.33Å; M221-S223 PolarHBondContact O-N 3.14Å; S223-G226 PolarHBondContact O-N 3.12Å; S223-L227 VanDerWaalsContact O-CB 3.24Å; S223-L227 WeakPolarHBondContact O-CB 3.25Å; S223-L227 PolarHBondContact O-N 2.89Å |
| 224 | S | 80.9 | Confident | 78.4 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | A220 M221 Y228 | A220-S224 WeakPolarHBondContact O-CB 3.31Å; A220-S224 PolarHBondContact O-N 3.38Å; A220-S224 PolarHBondContact O-OG 3.29Å; M221-S224 PolarHBondContact O-N 2.91Å; M221-S224 PolarHBondContact O-OG 3.15Å; S224-Y228 VanDerWaalsContact O-CB 3.24Å; S224-Y228 WeakPolarHBondContact O-CB 3.46Å; S224-Y228 PolarHBondContact O-N 2.73Å |
| 225 | L | 76.6 | Confident | 77.4 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 173.7 | -93.9 | 72.8 | 0 | 0 | 0 | 112.3 | S179 M221 L227 Y228 A229 F252 | S179-L225 WeakPolarHBondContact OG-CD2 3.2Å; M221-L225 WeakPolarHBondContact O-CB 3.5Å; M221-L225 WeakPolarHBondContact O-CD1 3.35Å; M221-L225 PolarHBondContact O-N 2.87Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 2.77Å; L225-Y228 PolarHBondContact O-N 3.3Å; L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 3.46Å; L225-F252 HydrophobicContact CD1-CE1 3.97Å; L225-F252 HydrophobicContact CD2-CD1 4.26Å; L225-F252 HydrophobicContact CD2-CE1 4.08Å; L225-F252 HydrophobicContact CG-CD1 4.13Å; L225-F252 HydrophobicContact CG-CE1 3.65Å |
| 226 | G | 76.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F172 A222 S223 A229 A230 | F172-G226 WeakPolarHBondContact CD2-O 3.49Å; A222-G226 PolarHBondContact O-N 3.46Å; S223-G226 PolarHBondContact O-N 3.12Å; G226-A229 PolarHBondContact O-N 3.17Å; G226-A230 VanDerWaalsContact O-CB 3.31Å; G226-A230 WeakPolarHBondContact O-CB 3.36Å; G226-A230 PolarHBondContact O-N 3.43Å |
| 227 | L | 79.1 | Confident | 74.2 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.5 | -42.5 | 178.3 | -175.7 | 63.7 | 0 | 0 | 0 | 111.4 | S223 L225 A230 V231 | S223-L227 VanDerWaalsContact O-CB 3.24Å; S223-L227 WeakPolarHBondContact O-CB 3.25Å; S223-L227 PolarHBondContact O-N 2.89Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 2.77Å; L227-A230 PolarHBondContact O-N 3.48Å; L227-V231 WeakPolarHBondContact O-CG2 3.43Å; L227-V231 PolarHBondContact O-N 3.39Å |
| 228 | Y | 77.4 | Confident | 72.3 | Confident | 104 Ų | 104 | 61.1 Ų | 61.1 | 41% | 0.408 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.6 | 177.4 | -93.5 | 0 | 0 | 0 | 111.7 | S224 L225 A230 V231 V232 F252 | S224-Y228 VanDerWaalsContact O-CB 3.24Å; S224-Y228 WeakPolarHBondContact O-CB 3.46Å; S224-Y228 PolarHBondContact O-N 2.73Å; L225-Y228 PolarHBondContact O-N 3.3Å; Y228-A230 VanDerWaalsContact C-N 3.31Å; Y228-A230 PolarHBondContact O-N 3.26Å; Y228-V231 PolarHBondContact O-N 2.95Å; Y228-V232 HydrophobicContact CD1-CG2 4.19Å; Y228-V232 HydrophobicContact CD2-CG2 4.39Å; Y228-V232 HydrophobicContact CE1-CG2 3.7Å; Y228-V232 HydrophobicContact CE2-CG2 3.97Å; Y228-V232 WeakPolarHBondContact O-CG2 3.35Å; Y228-V232 PolarHBondContact O-N 2.93Å; Y228-F252 HydrophobicContact CD1-CD1 4.45Å; Y228-F252 AromaticContact CD1-CD2 3.59Å; Y228-F252 HydrophobicContact CD1-CD2 3.59Å; Y228-F252 AromaticContact CD1-CE2 3.65Å; Y228-F252 HydrophobicContact CD1-CE2 3.65Å; Y228-F252 AromaticContact CD1-CG 3.98Å; Y228-F252 HydrophobicContact CD1-CG 3.98Å; Y228-F252 HydrophobicContact CD1-CZ 4.16Å; Y228-F252 HydrophobicContact CE1-CB 4.23Å; Y228-F252 AromaticContact CE1-CD2 3.05Å; Y228-F252 HydrophobicContact CE1-CD2 3.05Å; Y228-F252 AromaticContact CE1-CE2 3.37Å; Y228-F252 HydrophobicContact CE1-CE2 3.37Å; Y228-F252 AromaticContact CE1-CG 3.74Å; Y228-F252 HydrophobicContact CE1-CG 3.74Å; Y228-F252 HydrophobicContact CE1-CZ 4.3Å; Y228-F252 HydrophobicContact CE2-CE2 4.27Å; Y228-F252 HydrophobicContact CG-CE2 4.23Å; Y228-F252 AromaticContact CZ-CD2 3.66Å; Y228-F252 AromaticContact CZ-CE2 3.68Å |
| 229 | A | 69.1 | Low | 70.5 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L225 G226 V231 V232 Q233 | L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 3.46Å; G226-A229 PolarHBondContact O-N 3.17Å; A229-V231 VanDerWaalsContact C-N 3.35Å; A229-V231 PolarHBondContact O-N 3.28Å; A229-V232 PolarHBondContact O-N 3.4Å; A229-Q233 WeakPolarHBondContact O-CB 3.27Å; A229-Q233 VanDerWaalsContact O-CG 3.25Å; A229-Q233 WeakPolarHBondContact O-CG 3.4Å; A229-Q233 PolarHBondContact O-N 3.07Å; A229-Q233 VanDerWaalsContact O-N 3.14Å; A229-Q233 PolarHBondContact O-NE2 2.91Å; A229-Q233 VanDerWaalsContact O-NE2 3.07Å |
| 230 | A | 68.4 | Low | 69 | Low | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.033 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L168 G226 L227 Y228 L234 | L168-A230 HydrophobicContact CD1-CB 4.29Å; L168-A230 HydrophobicContact CD2-CB 3.75Å; L168-A230 HydrophobicContact CG-CB 3.81Å; G226-A230 VanDerWaalsContact O-CB 3.31Å; G226-A230 WeakPolarHBondContact O-CB 3.36Å; G226-A230 PolarHBondContact O-N 3.43Å; L227-A230 PolarHBondContact O-N 3.48Å; Y228-A230 VanDerWaalsContact C-N 3.31Å; Y228-A230 PolarHBondContact O-N 3.26Å; A230-L234 WeakPolarHBondContact O-CD1 3.48Å |
| 231 | V | 70.1 | Confident | 67.5 | Low | 92 Ų | 92 | 59.2 Ų | 59.2 | 56% | 0.558 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -71.5 | -42.8 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L227 Y228 A229 Q233 L234 | L227-V231 WeakPolarHBondContact O-CG2 3.43Å; L227-V231 PolarHBondContact O-N 3.39Å; Y228-V231 PolarHBondContact O-N 2.95Å; A229-V231 VanDerWaalsContact C-N 3.35Å; A229-V231 PolarHBondContact O-N 3.28Å; V231-Q233 PolarHBondContact O-N 2.93Å; V231-L234 PolarHBondContact O-N 3.03Å |
| 232 | V | 66.8 | Low | 65.9 | Low | 89 Ų | 89 | 60.5 Ų | 60.5 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.1 | -22.8 | -179.3 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | Y228 A229 L234 | Y228-V232 HydrophobicContact CD1-CG2 4.19Å; Y228-V232 HydrophobicContact CD2-CG2 4.39Å; Y228-V232 HydrophobicContact CE1-CG2 3.7Å; Y228-V232 HydrophobicContact CE2-CG2 3.97Å; Y228-V232 WeakPolarHBondContact O-CG2 3.35Å; Y228-V232 PolarHBondContact O-N 2.93Å; A229-V232 PolarHBondContact O-N 3.4Å; V232-L234 VanDerWaalsContact C-N 3.3Å; V232-L234 PolarHBondContact O-N 3.03Å |
| 233 | Q | 64 | Low | 64.5 | Low | 15 Ų | 15 | 65.3 Ų | 65.3 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -0.4 | 177.1 | -76 | 173.3 | 53.8 | 0 | 0 | 115.1 | A229 V231 S235 M248 | A229-Q233 WeakPolarHBondContact O-CB 3.27Å; A229-Q233 VanDerWaalsContact O-CG 3.25Å; A229-Q233 WeakPolarHBondContact O-CG 3.4Å; A229-Q233 PolarHBondContact O-N 3.07Å; A229-Q233 VanDerWaalsContact O-N 3.14Å; A229-Q233 PolarHBondContact O-NE2 2.91Å; A229-Q233 VanDerWaalsContact O-NE2 3.07Å; V231-Q233 PolarHBondContact O-N 2.93Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; Q233-S235 PolarHBondContact O-N 2.92Å; Q233-M248 PolarHBondContact NE2-SD 3.02Å |
| 234 | L | 65.5 | Low | 63.1 | Low | 103 Ų | 103 | 65.4 Ų | 65.4 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | trans | -66.8 | 95.9 | 165.7 | -87.8 | 93.7 | 0 | 0 | 0 | 109.2 | L168 A230 V231 V232 | L168-L234 HydrophobicContact CD1-CD1 4.36Å; A230-L234 WeakPolarHBondContact O-CD1 3.48Å; V231-L234 PolarHBondContact O-N 3.03Å; V232-L234 VanDerWaalsContact C-N 3.3Å; V232-L234 PolarHBondContact O-N 3.03Å | ||
| 235 | S | 63.8 | Low | 61.9 | Low | 24 Ų | 24 | 63.8 Ų | 63.8 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | trans | -116.3 | 144.5 | 173.4 | 112.8 | 0 | 0 | 0 | 0 | 110.6 | Q233 S237 W241 | Q233-S235 VanDerWaalsContact C-N 3.31Å; Q233-S235 PolarHBondContact O-N 2.92Å; S235-S237 VanDerWaalsContact C-N 3.3Å; S235-S237 PolarHBondContact OG-N 2.8Å; S235-S237 PolarHBondContact OG-O 3.05Å; S235-W241 WeakPolarHBondContact OG-CB 3.14Å; S235-W241 PolarHBondContact OG-N 3.02Å | ||
| 236 | W | 51.2 | Low | 60.7 | Low | 170 Ų | 170 | 71.3 Ų | 71.3 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -83.5 | -4 | 178.8 | -160.6 | -69.5 | 0 | 0 | 0 | 112.1 | ||
| 237 | S | 55.4 | Low | 59.7 | Low | 26 Ų | 26 | 74.3 Ų | 74.3 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -136.6 | 130.2 | -173 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | S235 G239 A240 W241 | S235-S237 VanDerWaalsContact C-N 3.3Å; S235-S237 PolarHBondContact OG-N 2.8Å; S235-S237 PolarHBondContact OG-O 3.05Å; S237-G239 PolarHBondContact O-N 3.03Å; S237-A240 PolarHBondContact O-N 3.33Å; S237-A240 VanDerWaalsContact OG-CB 3.3Å; S237-A240 WeakPolarHBondContact OG-CB 3.4Å; S237-W241 PolarHBondContact O-N 3.47Å |
| 238 | W | 45.2 | Very low | 58.3 | Low | 113 Ų | 113 | 72 Ų | 72 | 43% | 0.428 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.3 | -46.6 | -174.2 | -177.2 | -100.8 | 0 | 0 | 0 | 114.4 | V160 W163 A240 W241 W242 | V160-W238 HydrophobicContact CG1-CE3 4.37Å; W163-W238 AromaticContact CD1-CZ3 3.49Å; W163-W238 VanDerWaalsContact CD1-CZ3 3.49Å; W163-W238 HydrophobicContact CG-CZ3 4.11Å; W163-W238 AromaticContact NE1-CH2 3.76Å; W163-W238 AromaticContact NE1-CZ3 3.73Å; W238-A240 PolarHBondContact O-N 3.41Å; W238-W241 PolarHBondContact O-N 3.26Å; W238-W242 PolarHBondContact O-N 2.94Å |
| 239 | G | 49.5 | Very low | 57.1 | Low | 55 Ų | 55 | 73 Ų | 73 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.7 | -37.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S237 Q243 | S237-G239 PolarHBondContact O-N 3.03Å; G239-Q243 WeakPolarHBondContact O-CB 3.49Å; G239-Q243 PolarHBondContact O-N 2.58Å |
| 240 | A | 54.9 | Low | 56 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.1 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | S237 W238 A244 | S237-A240 PolarHBondContact O-N 3.33Å; S237-A240 VanDerWaalsContact OG-CB 3.3Å; S237-A240 WeakPolarHBondContact OG-CB 3.4Å; W238-A240 PolarHBondContact O-N 3.41Å; A240-A244 WeakPolarHBondContact O-CB 3.32Å; A240-A244 PolarHBondContact O-N 2.83Å |
| 241 | W | 55.8 | Low | 55.3 | Low | 19 Ų | 19 | 82.8 Ų | 82.8 | 7% | 0.072 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 173.4 | 179.9 | 74.4 | 0 | 0 | 0 | 111.8 | T164 C167 S235 S237 W238 Q243 A244 A245 | T164-W241 HydrophobicContact CG2-CB 4.4Å; T164-W241 HydrophobicContact CG2-CD2 3.87Å; T164-W241 HydrophobicContact CG2-CG 3.6Å; C167-W241 HydrophobicContact CB-CH2 4.38Å; C167-W241 HydrophobicContact CB-CZ2 3.93Å; S235-W241 WeakPolarHBondContact OG-CB 3.14Å; S235-W241 PolarHBondContact OG-N 3.02Å; S237-W241 PolarHBondContact O-N 3.47Å; W238-W241 PolarHBondContact O-N 3.26Å; W241-Q243 VanDerWaalsContact C-N 3.33Å; W241-Q243 PolarHBondContact O-N 3.16Å; W241-A244 PolarHBondContact O-N 3.34Å; W241-A245 HydrophobicContact CZ2-CB 4.5Å; W241-A245 WeakPolarHBondContact O-CB 3.49Å; W241-A245 PolarHBondContact O-N 2.9Å |
| 242 | W | 48.8 | Very low | 54.2 | Low | 141 Ų | 141 | 80.4 Ų | 80.4 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | -178.9 | -173.4 | -109.3 | 0 | 0 | 0 | 112.3 | W238 R246 | W238-W242 PolarHBondContact O-N 2.94Å; W242-R246 WeakPolarHBondContact O-CB 3.44Å; W242-R246 PolarHBondContact O-N 2.78Å |
| 243 | Q | 52.9 | Low | 53.2 | Low | 104 Ų | 104 | 78.9 Ų | 78.9 | 49% | 0.486 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68 | -46.3 | 174.4 | -167.6 | 64.7 | 26.7 | 0 | 0 | 111.3 | G239 W241 A245 R246 D247 | G239-Q243 WeakPolarHBondContact O-CB 3.49Å; G239-Q243 PolarHBondContact O-N 2.58Å; W241-Q243 VanDerWaalsContact C-N 3.33Å; W241-Q243 PolarHBondContact O-N 3.16Å; Q243-A245 PolarHBondContact O-N 2.9Å; Q243-R246 PolarHBondContact O-N 3.33Å; Q243-R246 VanDerWaalsContact O-N 3.12Å; Q243-D247 PolarHBondContact NE2-OD2 3.29Å; Q243-D247 WeakPolarHBondContact O-CB 3.3Å; Q243-D247 PolarHBondContact O-N 3.39Å |
| 244 | A | 54.5 | Low | 52.5 | Low | 46 Ų | 46 | 80.3 Ų | 80.3 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A240 W241 R246 D247 | A240-A244 WeakPolarHBondContact O-CB 3.32Å; A240-A244 PolarHBondContact O-N 2.83Å; W241-A244 PolarHBondContact O-N 3.34Å; A244-R246 VanDerWaalsContact C-N 3.27Å; A244-R246 PolarHBondContact O-N 2.8Å; A244-D247 PolarHBondContact O-N 3.03Å |
| 245 | A | 55.3 | Low | 51.7 | Low | 25 Ų | 25 | 81.7 Ų | 81.7 | 21% | 0.207 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -72.5 | -21.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W241 Q243 M248 | W241-A245 HydrophobicContact CZ2-CB 4.5Å; W241-A245 WeakPolarHBondContact O-CB 3.49Å; W241-A245 PolarHBondContact O-N 2.9Å; Q243-A245 PolarHBondContact O-N 2.9Å; A245-M248 HydrophobicContact CB-CE 4.41Å; A245-M248 VanDerWaalsContact O-CG 3.26Å; A245-M248 WeakPolarHBondContact O-CG 3.37Å |
| 246 | R | 51.8 | Low | 50.6 | Low | 191 Ų | 191 | 82.7 Ų | 82.7 | 72% | 0.721 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -89.1 | -26.4 | 175.4 | -145.3 | -179.9 | -172.5 | 156.8 | 3.6 | 112.5 | W242 Q243 A244 M248 | W242-R246 WeakPolarHBondContact O-CB 3.44Å; W242-R246 PolarHBondContact O-N 2.78Å; Q243-R246 PolarHBondContact O-N 3.33Å; Q243-R246 VanDerWaalsContact O-N 3.12Å; A244-R246 VanDerWaalsContact C-N 3.27Å; A244-R246 PolarHBondContact O-N 2.8Å; R246-M248 PolarHBondContact O-N 2.91Å |
| 247 | D | 54.9 | Low | 50.4 | Low | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | trans | -94.1 | 29.5 | -179.3 | -74.9 | -37.9 | 0 | 0 | 0 | 113.8 | Q243 A244 E249 K250 G251 | Q243-D247 PolarHBondContact NE2-OD2 3.29Å; Q243-D247 WeakPolarHBondContact O-CB 3.3Å; Q243-D247 PolarHBondContact O-N 3.39Å; A244-D247 PolarHBondContact O-N 3.03Å; D247-E249 PolarHBondContact O-N 3.01Å; D247-E249 VanDerWaalsContact O-N 3.15Å; D247-K250 HydrophobicContact CB-CB 4.49Å; D247-K250 PolarHBondContact O-N 3.45Å; D247-K250 VanDerWaalsContact O-N 3.09Å; D247-G251 PolarHBondContact O-N 3.06Å | ||
| 248 | M | 49.8 | Very low | 50.1 | Low | 62 Ų | 62 | 79.3 Ų | 79.3 | 31% | 0.305 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.8 | -28.4 | 179.8 | -61.9 | -79.2 | -156.8 | 0 | 0 | 113.8 | V171 Q233 A245 R246 | V171-M248 HydrophobicContact CB-CE 4.45Å; V171-M248 HydrophobicContact CG1-CE 3.77Å; V171-M248 HydrophobicContact CG2-CE 4.17Å; Q233-M248 PolarHBondContact NE2-SD 3.02Å; A245-M248 HydrophobicContact CB-CE 4.41Å; A245-M248 VanDerWaalsContact O-CG 3.26Å; A245-M248 WeakPolarHBondContact O-CG 3.37Å; R246-M248 PolarHBondContact O-N 2.91Å |
| 249 | E | 51.8 | Low | 50 | Low | 124 Ų | 124 | 81.4 Ų | 81.4 | 58% | 0.579 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -85.2 | -21.2 | 178.6 | -76.7 | -171.7 | 134.8 | 0 | 0 | 113.6 | Y182 D247 | Y182-E249 PolarHBondContact OH-OE1 3.49Å; D247-E249 PolarHBondContact O-N 3.01Å; D247-E249 VanDerWaalsContact O-N 3.15Å |
| 250 | K | 46.5 | Very low | 49.9 | Very low | 176 Ų | 176 | 83.9 Ų | 83.9 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -89.6 | -24 | -176.4 | -86.6 | -176.7 | 174.5 | -177.9 | 0 | 114.3 | D247 | D247-K250 HydrophobicContact CB-CB 4.49Å; D247-K250 PolarHBondContact O-N 3.45Å; D247-K250 VanDerWaalsContact O-N 3.09Å |
| 251 | G | 53.1 | Low | 49.2 | Very low | 52 Ų | 52 | 84.4 Ų | 84.4 | 54% | 0.536 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -83.4 | -59.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D247 W255 | D247-G251 PolarHBondContact O-N 3.06Å; G251-W255 WeakPolarHBondContact O-CB 3.21Å |
| 252 | F | 47 | Very low | 48.5 | Very low | 42 Ų | 42 | 88.4 Ų | 88.4 | 18% | 0.184 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -103.7 | -36.9 | -165.7 | -172.2 | -102.4 | 0 | 0 | 0 | 114.5 | L225 Y228 G254 W255 L256 | L225-F252 HydrophobicContact CD1-CE1 3.97Å; L225-F252 HydrophobicContact CD2-CD1 4.26Å; L225-F252 HydrophobicContact CD2-CE1 4.08Å; L225-F252 HydrophobicContact CG-CD1 4.13Å; L225-F252 HydrophobicContact CG-CE1 3.65Å; Y228-F252 HydrophobicContact CD1-CD1 4.45Å; Y228-F252 AromaticContact CD1-CD2 3.59Å; Y228-F252 HydrophobicContact CD1-CD2 3.59Å; Y228-F252 AromaticContact CD1-CE2 3.65Å; Y228-F252 HydrophobicContact CD1-CE2 3.65Å; Y228-F252 AromaticContact CD1-CG 3.98Å; Y228-F252 HydrophobicContact CD1-CG 3.98Å; Y228-F252 HydrophobicContact CD1-CZ 4.16Å; Y228-F252 HydrophobicContact CE1-CB 4.23Å; Y228-F252 AromaticContact CE1-CD2 3.05Å; Y228-F252 HydrophobicContact CE1-CD2 3.05Å; Y228-F252 AromaticContact CE1-CE2 3.37Å; Y228-F252 HydrophobicContact CE1-CE2 3.37Å; Y228-F252 AromaticContact CE1-CG 3.74Å; Y228-F252 HydrophobicContact CE1-CG 3.74Å; Y228-F252 HydrophobicContact CE1-CZ 4.3Å; Y228-F252 HydrophobicContact CE2-CE2 4.27Å; Y228-F252 HydrophobicContact CG-CE2 4.23Å; Y228-F252 AromaticContact CZ-CD2 3.66Å; Y228-F252 AromaticContact CZ-CE2 3.68Å; F252-G254 VanDerWaalsContact C-N 3.3Å; F252-G254 PolarHBondContact O-N 3.47Å; F252-W255 HydrophobicContact CD2-CD2 4.44Å; F252-W255 AromaticContact CD2-CE3 3.61Å; F252-W255 HydrophobicContact CD2-CE3 3.61Å; F252-W255 HydrophobicContact CD2-CZ3 4.11Å; F252-W255 HydrophobicContact CE2-CD2 4.43Å; F252-W255 AromaticContact CE2-CE3 3.3Å; F252-W255 HydrophobicContact CE2-CE3 3.3Å; F252-W255 HydrophobicContact CE2-CH2 4.44Å; F252-W255 AromaticContact CE2-CZ3 3.32Å; F252-W255 HydrophobicContact CE2-CZ3 3.32Å; F252-W255 HydrophobicContact CZ-CE3 4.06Å; F252-W255 AromaticContact CZ-CZ3 3.88Å; F252-W255 HydrophobicContact CZ-CZ3 3.88Å; F252-W255 PolarHBondContact O-N 3.3Å; F252-L256 HydrophobicContact CE1-CB 4.23Å; F252-L256 HydrophobicContact CE1-CD2 3.94Å; F252-L256 HydrophobicContact CZ-CB 4.47Å; F252-L256 HydrophobicContact CZ-CD2 4.49Å; F252-L256 VanDerWaalsContact O-CB 3.28Å; F252-L256 WeakPolarHBondContact O-CB 3.29Å; F252-L256 PolarHBondContact O-N 2.9Å |
| 253 | C | 46.2 | Very low | 48.3 | Very low | 57 Ų | 57 | 89.8 Ų | 89.8 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 174.6 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | C257 | C253-C257 VanDerWaalsContact O-CB 3.27Å; C253-C257 WeakPolarHBondContact O-CB 3.4Å; C253-C257 PolarHBondContact O-N 2.66Å; C253-C257 VanDerWaalsContact O-N 3.1Å; C253-C257 PolarHBondContact O-SG 2.93Å |
| 254 | G | 49.3 | Very low | 47.8 | Very low | 44 Ų | 44 | 88.4 Ų | 88.4 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | F252 S258 | F252-G254 VanDerWaalsContact C-N 3.3Å; F252-G254 PolarHBondContact O-N 3.47Å; G254-S258 VanDerWaalsContact O-CB 3.31Å; G254-S258 WeakPolarHBondContact O-CB 3.46Å; G254-S258 PolarHBondContact O-N 3.15Å |
| 255 | W | 48.1 | Very low | 47.4 | Very low | 132 Ų | 132 | 89.4 Ų | 89.4 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 177.9 | 176.8 | 85.3 | 0 | 0 | 0 | 113.1 | G251 F252 S258 K259 | G251-W255 WeakPolarHBondContact O-CB 3.21Å; F252-W255 HydrophobicContact CD2-CD2 4.44Å; F252-W255 AromaticContact CD2-CE3 3.61Å; F252-W255 HydrophobicContact CD2-CE3 3.61Å; F252-W255 HydrophobicContact CD2-CZ3 4.11Å; F252-W255 HydrophobicContact CE2-CD2 4.43Å; F252-W255 AromaticContact CE2-CE3 3.3Å; F252-W255 HydrophobicContact CE2-CE3 3.3Å; F252-W255 HydrophobicContact CE2-CH2 4.44Å; F252-W255 AromaticContact CE2-CZ3 3.32Å; F252-W255 HydrophobicContact CE2-CZ3 3.32Å; F252-W255 HydrophobicContact CZ-CE3 4.06Å; F252-W255 AromaticContact CZ-CZ3 3.88Å; F252-W255 HydrophobicContact CZ-CZ3 3.88Å; F252-W255 PolarHBondContact O-N 3.3Å; W255-S258 PolarHBondContact O-N 3.25Å; W255-K259 HydrophobicContact CZ2-CG 4.19Å; W255-K259 WeakPolarHBondContact O-CB 3.25Å; W255-K259 PolarHBondContact O-N 3.21Å |
| 256 | L | 40.8 | Very low | 46.8 | Very low | 45 Ų | 45 | 91.1 Ų | 91.1 | 24% | 0.236 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.9 | -38.7 | -179 | -175.3 | 64.3 | 0 | 0 | 0 | 111.2 | F252 K259 L260 | F252-L256 HydrophobicContact CE1-CB 4.23Å; F252-L256 HydrophobicContact CE1-CD2 3.94Å; F252-L256 HydrophobicContact CZ-CB 4.47Å; F252-L256 HydrophobicContact CZ-CD2 4.49Å; F252-L256 VanDerWaalsContact O-CB 3.28Å; F252-L256 WeakPolarHBondContact O-CB 3.29Å; F252-L256 PolarHBondContact O-N 2.9Å; L256-K259 PolarHBondContact O-N 3.41Å; L256-L260 HydrophobicContact CD1-CD1 3.9Å; L256-L260 HydrophobicContact CD1-CG 4.24Å; L256-L260 HydrophobicContact CD2-CD1 4.36Å; L256-L260 HydrophobicContact CG-CD1 3.71Å; L256-L260 HydrophobicContact CG-CG 4.42Å; L256-L260 VanDerWaalsContact O-CB 3.31Å; L256-L260 WeakPolarHBondContact O-CB 3.29Å; L256-L260 VanDerWaalsContact O-CG 3.28Å; L256-L260 WeakPolarHBondContact O-CG 3.24Å; L256-L260 PolarHBondContact O-N 2.74Å |
| 257 | C | 46.9 | Very low | 46.1 | Very low | 24 Ų | 24 | 85.1 Ų | 85.1 | 16% | 0.162 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 177 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | C253 G261 L262 C265 | C253-C257 VanDerWaalsContact O-CB 3.27Å; C253-C257 WeakPolarHBondContact O-CB 3.4Å; C253-C257 PolarHBondContact O-N 2.66Å; C253-C257 VanDerWaalsContact O-N 3.1Å; C253-C257 PolarHBondContact O-SG 2.93Å; C257-G261 PolarHBondContact O-N 3.45Å; C257-G261 VanDerWaalsContact O-N 3.14Å; C257-L262 PolarHBondContact O-N 2.86Å; C257-C265 HydrophobicContact CB-CB 3.61Å; C257-C265 WeakPolarHBondContact CB-SG 3.44Å; C257-C265 WeakPolarHBondContact SG-CB 3.21Å; C257-C265 CovalentContact SG-SG 2Å; C257-C265 PolarHBondContact SG-SG 2.98Å |
| 258 | S | 48.6 | Very low | 45.4 | Very low | 102 Ų | 102 | 92.6 Ų | 92.6 | 71% | 0.713 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -37.1 | 168.3 | 177 | 0 | 0 | 0 | 0 | 112.7 | G254 W255 | G254-S258 VanDerWaalsContact O-CB 3.31Å; G254-S258 WeakPolarHBondContact O-CB 3.46Å; G254-S258 PolarHBondContact O-N 3.15Å; W255-S258 PolarHBondContact O-N 3.25Å |
| 259 | K | 43.1 | Very low | 44.8 | Very low | 156 Ų | 156 | 93.7 Ų | 93.7 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -77.1 | -29.9 | 178 | -91.3 | -69.1 | -179.2 | -172.5 | 0 | 114.4 | W255 L256 G261 | W255-K259 HydrophobicContact CZ2-CG 4.19Å; W255-K259 WeakPolarHBondContact O-CB 3.25Å; W255-K259 PolarHBondContact O-N 3.21Å; L256-K259 PolarHBondContact O-N 3.41Å; K259-G261 VanDerWaalsContact C-N 3.34Å |
| 260 | L | 47 | Very low | 44.5 | Very low | 107 Ų | 107 | 93 Ų | 93 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -86.3 | -6.5 | 178 | -71.3 | 168.9 | 0 | 0 | 0 | 112.9 | L256 L262 | L256-L260 HydrophobicContact CD1-CD1 3.9Å; L256-L260 HydrophobicContact CD1-CG 4.24Å; L256-L260 HydrophobicContact CD2-CD1 4.36Å; L256-L260 HydrophobicContact CG-CD1 3.71Å; L256-L260 HydrophobicContact CG-CG 4.42Å; L256-L260 VanDerWaalsContact O-CB 3.31Å; L256-L260 WeakPolarHBondContact O-CB 3.29Å; L256-L260 VanDerWaalsContact O-CG 3.28Å; L256-L260 WeakPolarHBondContact O-CG 3.24Å; L256-L260 PolarHBondContact O-N 2.74Å; L260-L262 HydrophobicContact CB-CD1 3.84Å; L260-L262 PolarHBondContact O-N 3.32Å |
| 261 | G | 40.8 | Very low | 44.3 | Very low | 61 Ų | 61 | 89.8 Ų | 89.8 | 63% | 0.629 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | C257 K259 | C257-G261 PolarHBondContact O-N 3.45Å; C257-G261 VanDerWaalsContact O-N 3.14Å; K259-G261 VanDerWaalsContact C-N 3.34Å |
| 262 | L | 41.5 | Very low | 43.3 | Very low | 104 Ų | 104 | 93.5 Ų | 93.5 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | trans | -95 | 96.7 | 176.7 | -89.1 | 131.3 | 0 | 0 | 0 | 107 | C257 L260 D264 | C257-L262 PolarHBondContact O-N 2.86Å; L260-L262 HydrophobicContact CB-CD1 3.84Å; L260-L262 PolarHBondContact O-N 3.32Å; L262-D264 PolarHBondContact O-N 3.47Å; L262-D264 VanDerWaalsContact O-N 3.08Å | ||
| 263 | E | 44.4 | Very low | 42.7 | Very low | 169 Ų | 169 | 98.8 Ų | 98.8 | 79% | 0.79 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -62 | -9.2 | 178.7 | -76.6 | 167.4 | 132.5 | 0 | 0 | 113.2 | ||
| 264 | D | 43.1 | Very low | 42.1 | Very low | 76 Ų | 76 | 103 Ų | 103 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | trans | -128.7 | 66.3 | -177.3 | -73.7 | -45 | 0 | 0 | 0 | 114.2 | L262 I270 | L262-D264 PolarHBondContact O-N 3.47Å; L262-D264 VanDerWaalsContact O-N 3.08Å; D264-I270 WeakPolarHBondContact OD1-CG1 2.98Å | ||
| 265 | C | 46.3 | Very low | 41.5 | Very low | 66 Ų | 66 | 108.8 Ų | 108.8 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | trans | -90.5 | -5.3 | 169.1 | -77.8 | 0 | 0 | 0 | 0 | 114.8 | C257 | C257-C265 HydrophobicContact CB-CB 3.61Å; C257-C265 WeakPolarHBondContact CB-SG 3.44Å; C257-C265 WeakPolarHBondContact SG-CB 3.21Å; C257-C265 CovalentContact SG-SG 2Å; C257-C265 PolarHBondContact SG-SG 2.98Å | ||
| 266 | S | 41.4 | Very low | 40.9 | Very low | 62 Ų | 62 | 107.3 Ų | 107.3 | 43% | 0.434 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -85.8 | 139.8 | 174.7 | 83.4 | 0 | 0 | 0 | 0 | 109.4 | Y268 S269 | S266-Y268 PolarHBondContact O-N 3.42Å; S266-S269 PolarHBondContact OG-N 2.75Å |
| 267 | P | 37.9 | Very low | 40.6 | Very low | 64 Ų | 64 | 111.1 Ų | 111.1 | 42% | 0.416 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -64.2 | -22 | -179.7 | 26.3 | -34.9 | 0 | 0 | 0 | 112.7 | Y182 | Y182-P267 HydrophobicContact CE1-CG 3.99Š|
| 268 | Y | 39.9 | Very low | 40.2 | Very low | 220 Ų | 220 | 116.7 Ų | 116.7 | 86% | 0.863 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -159.7 | 111.7 | 166.8 | -64.7 | -72.3 | 0 | 0 | 0 | 111.1 | S266 | S266-Y268 PolarHBondContact O-N 3.42Š|
| 269 | S | 38 | Very low | 39.6 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 59% | 0.587 | 64% | 0.638 | S | S | * | * | trans | 167 | 89.7 | 132.9 | 179.2 | 0 | 0 | 0 | 0 | 108 | S266 V271 | S266-S269 PolarHBondContact OG-N 2.75Å; S269-V271 PolarHBondContact O-N 3.22Å; S269-V271 VanDerWaalsContact O-N 3.1Å | ||
| 270 | I | 45.6 | Very low | 39.3 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 57% | 0.569 | 65% | 0.647 | S | S | * | * | trans | -61.8 | 108.7 | 161.3 | -65.9 | 155.2 | 0 | 0 | 0 | 106.7 | D264 E272 | D264-I270 WeakPolarHBondContact OD1-CG1 2.98Å; I270-E272 HydrophobicContact CG2-CG 3.96Å | ||
| 271 | V | 41.8 | Very low | 38.6 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 65% | 0.648 | 65% | 0.653 | S | S | * | * | trans | -124.4 | 88.9 | 150.2 | -176.1 | 0 | 0 | 0 | 0 | 104.6 | S269 L273 | S269-V271 PolarHBondContact O-N 3.22Å; S269-V271 VanDerWaalsContact O-N 3.1Å; V271-L273 VanDerWaalsContact C-N 3.28Å; V271-L273 HydrophobicContact CG1-CG 4.38Å; V271-L273 PolarHBondContact O-N 3.18Å | ||
| 272 | E | 31.7 | Very low | 38.3 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 61% | 0.607 | 66% | 0.656 | S | S | * | * | trans | -62.8 | 93.1 | 168 | -78.1 | 168.5 | -169.9 | 0 | 0 | 107.9 | I270 L274 | I270-E272 HydrophobicContact CG2-CG 3.96Å; E272-L274 PolarHBondContact O-N 3.44Å; E272-L274 VanDerWaalsContact O-N 3.14Å | ||
| 273 | L | 33.7 | Very low | 38 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 80% | 0.801 | 67% | 0.674 | S | S | * | * | trans | -76.9 | 83.3 | 159.6 | -78.5 | 145.2 | 0 | 0 | 0 | 106.6 | V271 E275 | V271-L273 VanDerWaalsContact C-N 3.28Å; V271-L273 HydrophobicContact CG1-CG 4.38Å; V271-L273 PolarHBondContact O-N 3.18Å; L273-E275 PolarHBondContact O-N 3.25Å | ||
| 274 | L | 33.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | trans | -64.8 | 96.7 | 157.7 | -93.1 | 155.3 | 0 | 0 | 0 | 106.9 | E272 S276 | E272-L274 PolarHBondContact O-N 3.44Å; E272-L274 VanDerWaalsContact O-N 3.14Å; L274-S276 VanDerWaalsContact C-N 3.31Å; L274-S276 PolarHBondContact O-N 2.67Å | ||
| 275 | E | 37.3 | Very low | 37.4 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | trans | -55.4 | 94 | 164.5 | -172.1 | 168 | -140.3 | 0 | 0 | 107.7 | L273 D277 | L273-E275 PolarHBondContact O-N 3.25Å; E275-D277 PolarHBondContact O-N 3.2Å | ||
| 276 | S | 34.9 | Very low | 36.6 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -76.6 | 72.3 | 168.4 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | L274 N278 | L274-S276 VanDerWaalsContact C-N 3.31Å; L274-S276 PolarHBondContact O-N 2.67Å; S276-N278 PolarHBondContact O-N 2.78Å | ||
| 277 | D | 35.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | trans | -56 | 122.6 | 148 | -93.1 | -22.8 | 0 | 0 | 0 | 107.2 | E275 | E275-D277 PolarHBondContact O-N 3.2Š| ||
| 278 | N | 37.7 | Very low | 36 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 105.1 | 47.8 | 176.1 | -57.9 | -70.9 | 0 | 0 | 0 | 119.1 | S276 | S276-N278 PolarHBondContact O-N 2.78Š| ||
| 279 | I | 36.4 | Very low | 35.5 | Very low | 147 Ų | 147 | 133 Ų | 133 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -133.9 | 58.5 | 141.7 | -41.6 | 173.5 | 0 | 0 | 0 | 110.1 | ||
| 280 | S | 36.1 | Very low | 35.1 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -140.7 | 57.3 | 162.6 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 281 | S | 33.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -145.3 | -0.4 | 167.4 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 282 | T | 34.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -128.5 | 67.1 | 176.6 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 283 | L | 34.7 | Very low | 33.8 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -169.9 | 43.9 | 153.8 | -102.5 | 173.2 | 0 | 0 | 0 | 111.5 | ||
| 284 | S | 34.1 | Very low | 33.6 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -137.8 | 48.7 | 161.8 | -173 | 0 | 0 | 0 | 0 | 110.3 | ||
| 285 | N | 39.7 | Very low | 33.3 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -149.8 | 87.8 | 158.4 | -165.1 | -18.7 | 0 | 0 | 0 | 108.5 | ||||
| 286 | K | 30.3 | Very low | 33.1 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -162.4 | 90.9 | 153.7 | -162.4 | 162.2 | 179.9 | 172.6 | 0 | 108.9 | ||||
| 287 | D | 32.5 | Very low | 33 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | trans | -56.6 | 142.6 | 152.6 | -75.2 | -62.4 | 0 | 0 | 0 | 109.1 | ||||
| 288 | P | 33.3 | Very low | 32.9 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 67% | 0.669 | 83% | 0.825 | S | S | * | * | -140.9 | 129.9 | 123.6 | 33.8 | -19 | 0 | 0 | 0 | 111.2 | |||||
| 289 | I | 29.8 | Very low | 32.6 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | 178.3 | 104.7 | 123.9 | -81.9 | 147.4 | 0 | 0 | 0 | 106.2 | E291 | I289-E291 HydrophobicContact CG2-CG 4.26Å; I289-E291 PolarHBondContact O-N 3.3Å | |||
| 290 | Q | 29.6 | Very low | 32.4 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 94% | 0.935 | 83% | 0.833 | S | S | * | * | trans | -67.4 | 107.4 | 158.3 | -97 | 178.7 | -18.7 | 0 | 0 | 107.5 | ||||
| 291 | E | 31.4 | Very low | 32.2 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -92.2 | 99.8 | 151.3 | -85.2 | -168.9 | 140.9 | 0 | 0 | 107.7 | I289 | I289-E291 HydrophobicContact CG2-CG 4.26Å; I289-E291 PolarHBondContact O-N 3.3Å | ||
| 292 | V | 31.5 | Very low | 32.1 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 78% | 0.782 | 84% | 0.841 | S | S | * | * | trans | -151.7 | 115.6 | 150.2 | 178.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 293 | E | 29.3 | Very low | 32 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | -165.5 | 106.3 | 126.2 | -102.7 | -176.9 | 168.5 | 0 | 0 | 110.8 | |||||
| 294 | T | 30.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 153.1 Ų | 153.1 | 67% | 0.669 | 85% | 0.845 | S | S | * | * | trans | 71.2 | 117.2 | 132.4 | -2.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 295 | S | 27 | Very low | 31.6 | Very low | 127 Ų | 127 | 155.4 Ų | 155.4 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | -132.3 | 109.9 | 139.7 | -82.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 296 | T | 33.8 | Very low | 30.9 | Very low | 127 Ų | 127 | 155.7 Ų | 155.7 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | trans | -109.4 | 105.4 | 150.9 | 43.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 297 | V | 32 | Very low | 31 | Very low | 220 Ų | 220 | 152.6 Ų | 152.6 | 100% | 1.333 | 85% | 0.848 | S | S | * | * | trans | -157.5 | 0 | 130.5 | 176.4 | 0 | 0 | 0 | 0 | 106.6 |
Retrieved 297 of 297 residues in 863.3 ms
(Link to these results)