| 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 | 42 | Very low | 43 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 100% | 1.167 | 83% | 0.826 | S | S | * | * | 0 | 105.2 | 0 | -74.2 | -59 | 162.4 | 0 | 0 | 108.1 | |||||
| 2 | P | 42.4 | Very low | 43.6 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | trans | -88.1 | 134.2 | -176.9 | 33.5 | -30.9 | 0 | 0 | 0 | 111.5 | ||||
| 3 | A | 38 | Very low | 43.3 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -118.2 | 112.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | I | 48.4 | Very low | 43.7 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -104.1 | 106.6 | -178.6 | 45.8 | 169.4 | 0 | 0 | 0 | 110.8 | ||||
| 5 | I | 41.4 | Very low | 44.4 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | 23.7 | 104.3 | 136.7 | -57.3 | 161.6 | 0 | 0 | 0 | 115.1 | K7 | I5-K7 HydrophobicContact CG2-CG 4.05Š| ||
| 6 | S | 35.6 | Very low | 44.9 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -68.2 | 127.9 | 154.8 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 7 | K | 46.6 | Very low | 45.2 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -115.2 | 134 | 160.9 | -82.6 | -179.4 | 177 | -179.2 | 0 | 108.2 | I5 | I5-K7 HydrophobicContact CG2-CG 4.05Š| ||
| 8 | N | 42.2 | Very low | 45.3 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -77.3 | 141.3 | 174.5 | -61 | -47.5 | 0 | 0 | 0 | 110.7 | ||||
| 9 | S | 44.7 | Very low | 45.3 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -141.4 | 90.8 | 148 | 52.8 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 10 | D | 44.5 | Very low | 44.9 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | 61.3 | 133.6 | 65.4 | -157.9 | 15.1 | 0 | 0 | 0 | 111.6 | |||||
| 11 | L | 47.8 | Very low | 45 | Very low | 142 Ų | 142 | 152 Ų | 152 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | 68.1 | 136.9 | -171 | -37.4 | 174.2 | 0 | 0 | 0 | 112 | ||||
| 12 | E | 49.1 | Very low | 45.2 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | cis | -148.3 | 168.3 | 23.6 | -65.1 | 169.2 | -166.6 | 0 | 0 | 111.7 | ||||
| 13 | F | 40.3 | Very low | 45.4 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 74.7 | 76.1 | 162.9 | -102.1 | -91.3 | 0 | 0 | 0 | 120.3 | ||||
| 14 | D | 49.2 | Very low | 46 | Very low | 162 Ų | 162 | 149 Ų | 149 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -127.8 | 105.3 | 140.2 | -174.9 | 13.8 | 0 | 0 | 0 | 109.6 | ||||
| 15 | S | 54.1 | Low | 46.2 | Very low | 84 Ų | 84 | 149.2 Ų | 149.2 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | trans | -164.4 | 63.5 | -179.7 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 16 | L | 51.8 | Low | 46.6 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -128.3 | 97.4 | 163.7 | -71.2 | 176.3 | 0 | 0 | 0 | 110.7 | ||||
| 17 | Q | 49.7 | Very low | 47 | Very low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 138.5 | 165.2 | -72.1 | -169.6 | -82.6 | 0 | 0 | 110.1 | C19 | Q17-C19 PolarHBondContact O-N 2.97Å; Q17-C19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | P | 47.6 | Very low | 47.3 | Very low | 132 Ų | 132 | 155 Ų | 155 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -65.3 | 112.1 | 165.9 | -19.5 | 32.8 | 0 | 0 | 0 | 110.3 | F20 | P18-F20 PolarHBondContact O-N 3.08Š| ||
| 19 | C | 45.4 | Very low | 47.6 | Very low | 113 Ų | 113 | 156 Ų | 156 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -78.1 | 118.7 | 170 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | Q17 | Q17-C19 PolarHBondContact O-N 2.97Å; Q17-C19 VanDerWaalsContact O-N 3.15Å | ||
| 20 | F | 37.2 | Very low | 47.5 | Very low | 201 Ų | 201 | 156.8 Ų | 156.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 114.1 | 167.7 | -142.9 | -91.6 | 0 | 0 | 0 | 107.4 | P18 | P18-F20 PolarHBondContact O-N 3.08Š| ||
| 21 | Y | 46.6 | Very low | 47.4 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -96.5 | 117.9 | 169.6 | -112.3 | -97.1 | 0 | 0 | 0 | 107.9 | ||||
| 22 | P | 46.6 | Very low | 47.6 | Very low | 85 Ų | 85 | 152.9 Ų | 152.9 | 55% | 0.552 | 80% | 0.801 | S | S | * | * | trans | -79.9 | 112.5 | 161.6 | -1.6 | 20.7 | 0 | 0 | 0 | 107.8 | E24 | P22-E24 VanDerWaalsContact C-N 3.26Å; P22-E24 HydrophobicContact CB-CG 4.37Å; P22-E24 PolarHBondContact O-N 2.95Å | ||
| 23 | D | 46.3 | Very low | 47.6 | Very low | 151 Ų | 151 | 152.1 Ų | 152.1 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -77.3 | 82.4 | 170.2 | -73.7 | -25.1 | 0 | 0 | 0 | 109 | D25 | D23-D25 PolarHBondContact O-N 3.34Š| ||
| 24 | E | 50.7 | Low | 47.8 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -81.5 | 82.7 | 166 | -56.3 | -73.2 | 151.9 | 0 | 0 | 108.7 | P22 | P22-E24 VanDerWaalsContact C-N 3.26Å; P22-E24 HydrophobicContact CB-CG 4.37Å; P22-E24 PolarHBondContact O-N 2.95Å | ||
| 25 | D | 52 | Low | 48 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -179.5 | 85.5 | 160 | -96.3 | -28.3 | 0 | 0 | 0 | 111.7 | D23 | D23-D25 PolarHBondContact O-N 3.34Š| ||
| 26 | D | 50.2 | Low | 48.1 | Very low | 173 Ų | 173 | 145 Ų | 145 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -152.6 | 27.5 | 159 | -116.3 | -20.1 | 0 | 0 | 0 | 112.7 | ||||
| 27 | F | 44.7 | Very low | 48.2 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -101.9 | 71.8 | 175.8 | -161 | -85.5 | 0 | 0 | 0 | 110.6 | ||||
| 28 | Y | 52.7 | Low | 48.5 | Very low | 209 Ų | 209 | 137.6 Ų | 137.6 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | 170.9 | 97 | 148.3 | -113.9 | -88.9 | 0 | 0 | 0 | 111.1 | ||||
| 29 | L | 49 | Very low | 48.8 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 95% | 0.948 | 78% | 0.777 | S | S | * | * | trans | -163.2 | 47.7 | 149.5 | -133.4 | 73.9 | 0 | 0 | 0 | 114.2 | ||||
| 30 | C | 41.8 | Very low | 49.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | -100.5 | 107.5 | 169.1 | -119.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 31 | G | 43.1 | Very low | 50.9 | Low | 53 Ų | 53 | 134.7 Ų | 134.7 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | trans | -77.9 | 145.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D33 | G31-D33 VanDerWaalsContact C-N 3.29Å; G31-D33 PolarHBondContact O-N 3.38Å | ||
| 32 | P | 51.7 | Low | 51.6 | Low | 141 Ų | 141 | 135 Ų | 135 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 49.3 | -164.7 | 36.3 | -39.2 | 0 | 0 | 0 | 114.7 | ||
| 33 | D | 48.6 | Very low | 52.3 | Low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.6 | 26.8 | 173 | -146.1 | 6.1 | 0 | 0 | 0 | 115.2 | G31 A35 | G31-D33 VanDerWaalsContact C-N 3.29Å; G31-D33 PolarHBondContact O-N 3.38Å; D33-A35 PolarHBondContact O-N 3.34Å |
| 34 | A | 45.1 | Very low | 52.8 | Low | 88 Ų | 88 | 137.3 Ų | 137.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -96 | 83.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 35 | A | 53.2 | Low | 53.2 | Low | 87 Ų | 87 | 137.1 Ų | 137.1 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | -67.3 | 138 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | D33 | D33-A35 PolarHBondContact O-N 3.34Š| ||
| 36 | P | 56.8 | Low | 53.7 | Low | 102 Ų | 102 | 136.9 Ų | 136.9 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | trans | -66.8 | 142 | 177.6 | -21 | 33.3 | 0 | 0 | 0 | 112.9 | G38 | P36-G38 PolarHBondContact O-N 3.13Š| ||
| 37 | P | 53.8 | Low | 54 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 37.7 | 178.4 | -21.2 | 34.7 | 0 | 0 | 0 | 116.5 | ||
| 38 | G | 54.9 | Low | 54.8 | Low | 46 Ų | 46 | 133.5 Ų | 133.5 | 47% | 0.474 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.9 | -18.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | P36 | P36-G38 PolarHBondContact O-N 3.13Š|
| 39 | E | 54.4 | Low | 55 | Low | 163 Ų | 163 | 129.1 Ų | 129.1 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -95.5 | -16.7 | -157.2 | -61.3 | -175.1 | -178.7 | 0 | 0 | 116.1 | ||
| 40 | D | 62.4 | Low | 55.3 | Low | 112 Ų | 112 | 126.8 Ų | 126.8 | 60% | 0.599 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -93.6 | -12.9 | -169.2 | -162.9 | 45.6 | 0 | 0 | 0 | 114.9 | ||
| 41 | I | 64.3 | Low | 55.7 | Low | 109 Ų | 109 | 125.7 Ų | 125.7 | 56% | 0.559 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -70.6 | -37.2 | -176.2 | -61.6 | 164.5 | 0 | 0 | 0 | 111.4 | ||
| 42 | W | 61.4 | Low | 56.6 | Low | 199 Ų | 199 | 129.1 Ų | 129.1 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -91 | -31.9 | -172.9 | -62.9 | 79.5 | 0 | 0 | 0 | 112.4 | K44 F45 | W42-K44 PolarHBondContact O-N 3.1Å; W42-K44 VanDerWaalsContact O-N 3.1Å; W42-F45 PolarHBondContact O-N 2.93Å |
| 43 | K | 60.7 | Low | 56.7 | Low | 132 Ų | 132 | 130.6 Ų | 130.6 | 57% | 0.574 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -59.3 | -21.9 | 175.6 | -133.4 | 170.4 | -170 | 166.9 | 0 | 113.7 | F45 | K43-F45 VanDerWaalsContact C-N 3.28Å; K43-F45 PolarHBondContact O-N 3.34Å |
| 44 | K | 58.1 | Low | 57.1 | Low | 153 Ų | 153 | 128.2 Ų | 128.2 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -17.5 | 173.4 | -78.5 | 172.8 | 166.4 | -71.3 | 0 | 114.7 | W42 | W42-K44 PolarHBondContact O-N 3.1Å; W42-K44 VanDerWaalsContact O-N 3.1Å |
| 45 | F | 57.8 | Low | 57.4 | Low | 157 Ų | 157 | 130.2 Ų | 130.2 | 69% | 0.689 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -11.9 | -178.7 | -66.4 | -85 | 0 | 0 | 0 | 113.8 | W42 K43 L47 | W42-F45 PolarHBondContact O-N 2.93Å; K43-F45 VanDerWaalsContact C-N 3.28Å; K43-F45 PolarHBondContact O-N 3.34Å; F45-L47 PolarHBondContact O-N 3.21Å |
| 46 | E | 62 | Low | 57 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -4.6 | -178.6 | -63.3 | -176.9 | 138 | 0 | 0 | 114.3 | ||
| 47 | L | 58.1 | Low | 56.6 | Low | 151 Ų | 151 | 138.9 Ų | 138.9 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 19.2 | -170.6 | -90.7 | 164.3 | 0 | 0 | 0 | 115.2 | F45 P49 | F45-L47 PolarHBondContact O-N 3.21Å; L47-P49 WeakPolarHBondContact O-CD 3.32Å |
| 48 | L | 60.8 | Low | 56.4 | Low | 144 Ų | 144 | 136.8 Ų | 136.8 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -87.2 | 115 | 161.3 | -67.9 | -180 | 0 | 0 | 0 | 109 | T50 | L48-T50 PolarHBondContact O-N 3.05Š|
| 49 | P | 56.8 | Low | 55.5 | Low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.4 | 172 | 26.2 | -33.2 | 0 | 0 | 0 | 109.3 | L47 | L47-P49 WeakPolarHBondContact O-CD 3.32Š|
| 50 | T | 54.9 | Low | 55 | Low | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 123 | -178.6 | -43 | 0 | 0 | 0 | 0 | 109.9 | L48 | L48-T50 PolarHBondContact O-N 3.05Š|
| 51 | P | 50.7 | Low | 54 | Low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.2 | 177.8 | 22.9 | -32.1 | 0 | 0 | 0 | 109.3 | ||
| 52 | P | 61.8 | Low | 52.7 | Low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 143.8 | -174.5 | 25.4 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 53 | L | 53.6 | Low | 51.4 | Low | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 140.7 | 176.5 | -65.7 | 169.8 | 0 | 0 | 0 | 110.8 | ||
| 54 | S | 56.6 | Low | 50.7 | Low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 142.5 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 112 | S56 | S54-S56 PolarHBondContact O-N 3.43Š|
| 55 | P | 52.5 | Low | 49.5 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 125.3 | -178.7 | -22.9 | 33.3 | 0 | 0 | 0 | 112.5 | ||
| 56 | S | 45 | Very low | 48.4 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.3 | 169.5 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | S54 A58 | S54-S56 PolarHBondContact O-N 3.43Å; S56-A58 PolarHBondContact O-N 3Å |
| 57 | R | 48.7 | Very low | 47.1 | Very low | 265 Ų | 265 | 129.6 Ų | 129.6 | 100% | 1 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -76.5 | 49.7 | -177.6 | -167.7 | -178.7 | 146.5 | 148 | -5.4 | 112.5 | ||
| 58 | A | 48.9 | Very low | 46 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -147.5 | 60 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S56 | S56-A58 PolarHBondContact O-N 3Š| ||
| 59 | A | 36.5 | Very low | 44.7 | Very low | 92 Ų | 92 | 126.9 Ų | 126.9 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -153.3 | 82.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 60 | L | 43.8 | Very low | 43.5 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 117.9 | 157.9 | -75.7 | 175.5 | 0 | 0 | 0 | 107.8 | ||
| 61 | P | 41.3 | Very low | 42.6 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80 | 127.9 | 169.1 | 31.7 | -30.5 | 0 | 0 | 0 | 109.4 | ||
| 62 | G | 35.8 | Very low | 41.8 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 167.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 63 | E | 34.2 | Very low | 40.6 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -167.8 | 152.9 | 134.4 | -103 | -79.4 | 102.8 | 0 | 0 | 109.3 | ||||
| 64 | P | 47.1 | Very low | 39.6 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 68% | 0.675 | 83% | 0.826 | S | S | * | * | trans | -110.8 | 169.4 | -170.4 | 41.1 | -32.7 | 0 | 0 | 0 | 114 | ||||
| 65 | A | 32.6 | Very low | 39.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -154.9 | 103.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 66 | A | 35.1 | Very low | 38.8 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | 35.4 | 115.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 67 | A | 34.3 | Very low | 38.1 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | -144.8 | 149.7 | 131.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 68 | T | 35.1 | Very low | 37.2 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -103 | 143.4 | -164.8 | 51.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 69 | A | 33.5 | Very low | 36.6 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | 172.6 | 140.3 | 126.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 70 | S | 31.7 | Very low | 37 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | 47.1 | 108.7 | 147 | -61.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 71 | S | 35.4 | Very low | 36.5 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | 57.5 | 130.5 | 106.2 | -142.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 72 | E | 33.9 | Very low | 36.5 | Very low | 188 Ų | 188 | 123.9 Ų | 123.9 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | 58.1 | 111.3 | 159.1 | -65.7 | -161.1 | 151.3 | 0 | 0 | 120.7 | ||||
| 73 | A | 37.5 | Very low | 37 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | -176.7 | 161.9 | 110.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 74 | D | 32 | Very low | 37.7 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -50.6 | 173.9 | -171.5 | -106.2 | -16.8 | 0 | 0 | 0 | 120 | ||||
| 75 | P | 49.5 | Very low | 37.9 | Very low | 103 Ų | 103 | 125 Ų | 125 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -90.7 | 177.8 | -162.3 | 38.1 | -39.6 | 0 | 0 | 0 | 115.9 | ||||
| 76 | L | 43.2 | Very low | 38.2 | Very low | 172 Ų | 172 | 130 Ų | 130 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | 93 | 79.9 | 179 | -53.2 | -179.1 | 0 | 0 | 0 | 115.1 | ||||
| 77 | G | 29 | Very low | 38.5 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -140.8 | 109.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 78 | F | 31.5 | Very low | 39.3 | Very low | 207 Ų | 207 | 125.8 Ų | 125.8 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -82.6 | 175.1 | 172.3 | -101.3 | -102.7 | 0 | 0 | 0 | 111.2 | ||||
| 79 | S | 34.5 | Very low | 39.7 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 79.6 | 142.9 | 170.1 | -71.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 80 | L | 45.8 | Very low | 40.4 | Very low | 146 Ų | 146 | 131 Ų | 131 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | cis | -160.1 | 165.1 | -23.4 | -152.7 | 78 | 0 | 0 | 0 | 107.8 | ||||
| 81 | G | 33.9 | Very low | 41.1 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -158.5 | 32.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 82 | D | 40.4 | Very low | 41.6 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | -113.7 | 128.9 | -174.4 | -164.3 | 37.1 | 0 | 0 | 0 | 110.1 | L84 | D82-L84 PolarHBondContact O-N 3.2Å; D82-L84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | P | 46.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -88 | 77.4 | -171.5 | 34.8 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 84 | L | 49.4 | Very low | 42.2 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 57% | 0.571 | 76% | 0.759 | S | S | * | * | trans | -134.2 | 45 | 172.2 | -158.9 | 64.5 | 0 | 0 | 0 | 112.6 | D82 W86 | D82-L84 PolarHBondContact O-N 3.2Å; D82-L84 VanDerWaalsContact O-N 3.11Å; L84-W86 PolarHBondContact O-N 2.89Å | ||
| 85 | D | 50.5 | Low | 42.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 60.4 | -174.3 | -166.3 | 30.2 | 0 | 0 | 0 | 112.4 | ||
| 86 | W | 39.4 | Very low | 42.6 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.7 | -11.4 | 169.1 | 62.4 | -92.5 | 0 | 0 | 0 | 113.9 | L84 | L84-W86 PolarHBondContact O-N 2.89Š|
| 87 | A | 42.3 | Very low | 42.6 | Very low | 50 Ų | 50 | 136.9 Ų | 136.9 | 41% | 0.413 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -96.5 | -9.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 88 | S | 50.1 | Low | 43.2 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 52% | 0.517 | 76% | 0.764 | S | S | . | * | S | Bend | trans | -99.8 | -8.5 | -172.3 | -59.3 | 0 | 0 | 0 | 0 | 115 | ||
| 89 | E | 43.2 | Very low | 43.7 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -12.9 | -179 | -154.9 | 174 | -167.4 | 0 | 0 | 113.2 | ||
| 90 | L | 47.8 | Very low | 43.6 | Very low | 163 Ų | 163 | 142 Ų | 142 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 1 | 177.2 | -77.4 | 171.7 | 0 | 0 | 0 | 114.7 | ||
| 91 | L | 46.6 | Very low | 43.2 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -116.1 | 15.1 | -176.4 | -66.5 | 176.7 | 0 | 0 | 0 | 114.1 | ||
| 92 | L | 46.2 | Very low | 43.3 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | -124.7 | 62.8 | 173.2 | -83.6 | 93.8 | 0 | 0 | 0 | 112.4 | ||||
| 93 | L | 39 | Very low | 43.6 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -110.8 | 125.9 | 152.8 | -96 | 153.9 | 0 | 0 | 0 | 107.3 | E95 | L93-E95 PolarHBondContact O-N 3.5Š|
| 94 | P | 44.8 | Very low | 43.4 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -59.8 | 129 | -171.6 | -27 | 35.5 | 0 | 0 | 0 | 113.7 | D96 | P94-D96 PolarHBondContact O-N 3.36Š| ||
| 95 | E | 46.8 | Very low | 43 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -69.3 | 119.6 | 154.7 | -61 | -178 | 143.5 | 0 | 0 | 107.9 | L93 | L93-E95 PolarHBondContact O-N 3.5Š| ||
| 96 | D | 43.6 | Very low | 43 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 168.3 | 155.3 | 139.7 | -84.7 | -30.1 | 0 | 0 | 0 | 110.8 | P94 | P94-D96 PolarHBondContact O-N 3.36Š| ||
| 97 | D | 42.6 | Very low | 43.3 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 66 | 62.6 | 173.9 | -67.5 | -16.1 | 0 | 0 | 0 | 119.7 | ||||
| 98 | I | 42 | Very low | 43.1 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 82% | 0.815 | 82% | 0.822 | S | S | * | * | trans | -128.5 | 58 | 154.6 | -47.4 | -179 | 0 | 0 | 0 | 111.5 | ||||
| 99 | W | 42.8 | Very low | 42.3 | Very low | 262 Ų | 262 | 149.6 Ų | 149.6 | 99% | 0.992 | 84% | 0.835 | S | S | * | * | trans | -143.9 | 73.5 | 162.5 | -75.2 | 97.8 | 0 | 0 | 0 | 110.4 | ||||
| 100 | G | 32.7 | Very low | 41.9 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -160.6 | 118.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 101 | A | 36.8 | Very low | 41.4 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 93% | 0.934 | 82% | 0.82 | S | S | * | * | trans | -76.6 | 139.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 102 | S | 35.2 | Very low | 41.4 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -151.2 | 132.7 | 137.6 | -164.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 103 | D | 46.8 | Very low | 41.1 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -40.4 | 121.8 | 159.6 | -178.7 | 32.9 | 0 | 0 | 0 | 113.3 | ||||
| 104 | D | 43 | Very low | 41.6 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | 179.1 | 147.7 | 122 | -143.4 | -28.1 | 0 | 0 | 0 | 112.8 | |||||
| 105 | G | 41.2 | Very low | 41.6 | Very low | 60 Ų | 60 | 139.4 Ų | 139.4 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | trans | 58 | 104.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 106 | D | 50.8 | Low | 41.9 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | 27.4 | 104.9 | 142.8 | -84 | -23.4 | 0 | 0 | 0 | 120.7 | ||||
| 107 | L | 45.8 | Very low | 42.4 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -148.3 | 11 | 155.7 | -161.7 | 48 | 0 | 0 | 0 | 116.5 | ||||
| 108 | F | 36.7 | Very low | 42.8 | Very low | 212 Ų | 212 | 133.2 Ų | 133.2 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -137.1 | 76.5 | 177.2 | -135.5 | -92.3 | 0 | 0 | 0 | 113.4 | ||||
| 109 | G | 33.2 | Very low | 43.7 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -84.2 | 119 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 110 | S | 35.6 | Very low | 44.2 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 56.7 | 110.4 | 158.5 | -153.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 111 | S | 36.4 | Very low | 45.4 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | 58 | 113.7 | 71.8 | -168.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 112 | V | 47.3 | Very low | 46.2 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | 50.4 | 111.9 | 161.7 | -54.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 113 | D | 39.6 | Very low | 46.6 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | -158.2 | 81 | 142.1 | -111.9 | -31.1 | 0 | 0 | 0 | 110.6 | N115 | D113-N115 PolarHBondContact O-N 3.27Š| ||
| 114 | T | 49.8 | Very low | 46.8 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | trans | -76.7 | 72.3 | 178.7 | -47.9 | 0 | 0 | 0 | 0 | 110.5 | P116 | T114-P116 WeakPolarHBondContact O-CD 3.29Š| ||
| 115 | N | 43.9 | Very low | 47.5 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 51% | 0.508 | 74% | 0.736 | S | S | . | * | trans | -106.3 | 97.4 | 177.1 | -168.1 | -12.5 | 0 | 0 | 0 | 111.4 | D113 N117 | D113-N115 PolarHBondContact O-N 3.27Å; N115-N117 PolarHBondContact O-N 3.34Å; N115-N117 VanDerWaalsContact O-N 3.09Å; N115-N117 WeakPolarHBondContact OD1-CB 3.49Å; N115-N117 PolarHBondContact OD1-N 3.04Å; N115-N117 PolarHBondContact OD1-ND2 2.98Å | ||
| 116 | P | 53.4 | Low | 48.3 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -67.3 | -10.3 | -177.2 | 27.6 | -35.2 | 0 | 0 | 0 | 113.9 | T114 N118 I119 | T114-P116 WeakPolarHBondContact O-CD 3.29Å; P116-N118 PolarHBondContact O-N 3.4Å; P116-I119 PolarHBondContact O-N 2.79Å |
| 117 | N | 54.8 | Low | 48.1 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 57% | 0.572 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -71.8 | -7.4 | -178.1 | -60.5 | -67.7 | 0 | 0 | 0 | 114.3 | N115 I120 | N115-N117 PolarHBondContact O-N 3.34Å; N115-N117 VanDerWaalsContact O-N 3.09Å; N115-N117 WeakPolarHBondContact OD1-CB 3.49Å; N115-N117 PolarHBondContact OD1-N 3.04Å; N115-N117 PolarHBondContact OD1-ND2 2.98Å; N117-I120 HydrophobicContact CB-CD1 4.27Å; N117-I120 WeakPolarHBondContact O-CD1 3.32Å; N117-I120 WeakPolarHBondContact O-CG1 3.38Å |
| 118 | N | 51.6 | Low | 48.4 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -87.7 | -0.2 | 175.5 | -112.7 | -5.8 | 0 | 0 | 0 | 114.2 | P116 | P116-N118 PolarHBondContact O-N 3.4Š|
| 119 | I | 60.2 | Low | 49 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -110.4 | 32.1 | 170.9 | -38.4 | -178.9 | 0 | 0 | 0 | 110.4 | P116 I121 | P116-I119 PolarHBondContact O-N 2.79Å; I119-I121 VanDerWaalsContact C-N 3.34Å; I119-I121 PolarHBondContact O-N 2.96Å |
| 120 | I | 54.2 | Low | 49.9 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | trans | -76 | 92.8 | 168.2 | -62.3 | 173.4 | 0 | 0 | 0 | 107.7 | N117 Q122 | N117-I120 HydrophobicContact CB-CD1 4.27Å; N117-I120 WeakPolarHBondContact O-CD1 3.32Å; N117-I120 WeakPolarHBondContact O-CG1 3.38Å; I120-Q122 PolarHBondContact O-N 3.38Å; I120-Q122 VanDerWaalsContact O-N 3.1Å | ||
| 121 | I | 56.7 | Low | 50.8 | Low | 124 Ų | 124 | 131.5 Ų | 131.5 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | -57.6 | 115.4 | 164.7 | -55.7 | 177.8 | 0 | 0 | 0 | 106.7 | I119 D123 | I119-I121 VanDerWaalsContact C-N 3.34Å; I119-I121 PolarHBondContact O-N 2.96Å; I121-D123 HydrophobicContact CG2-CB 4.27Å; I121-D123 VanDerWaalsContact CG2-CG 3.47Å; I121-D123 WeakPolarHBondContact CG2-OD2 3.31Å; I121-D123 PolarHBondContact O-N 2.9Å | ||
| 122 | Q | 53.8 | Low | 51.2 | Low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -79.4 | 53.1 | -177.1 | -157.6 | 175 | 28.4 | 0 | 0 | 111 | I120 C124 | I120-Q122 PolarHBondContact O-N 3.38Å; I120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-C124 VanDerWaalsContact C-N 3.33Å; Q122-C124 PolarHBondContact O-N 3.14Å | ||
| 123 | D | 44.3 | Very low | 51.3 | Low | 107 Ų | 107 | 138.1 Ų | 138.1 | 57% | 0.572 | 74% | 0.739 | S | S | * | * | trans | -68.9 | 88.9 | 179.8 | -88.1 | -19.8 | 0 | 0 | 0 | 110.2 | I121 M125 | I121-D123 HydrophobicContact CG2-CB 4.27Å; I121-D123 VanDerWaalsContact CG2-CG 3.47Å; I121-D123 WeakPolarHBondContact CG2-OD2 3.31Å; I121-D123 PolarHBondContact O-N 2.9Å; D123-M125 HydrophobicContact CB-CE 4.16Å; D123-M125 HydrophobicContact CB-CG 4.35Å; D123-M125 PolarHBondContact O-N 3.48Å | ||
| 124 | C | 51.3 | Low | 51.9 | Low | 109 Ų | 109 | 138.4 Ų | 138.4 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -74 | 54.8 | -179 | -158.4 | 0 | 0 | 0 | 0 | 111.8 | Q122 W126 | Q122-C124 VanDerWaalsContact C-N 3.33Å; Q122-C124 PolarHBondContact O-N 3.14Å; C124-W126 VanDerWaalsContact C-N 3.32Å; C124-W126 PolarHBondContact O-N 3.41Å | ||
| 125 | M | 56.6 | Low | 51.8 | Low | 152 Ų | 152 | 137.4 Ų | 137.4 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 8.5 | -175.1 | -68.6 | -159.8 | -74.9 | 0 | 0 | 114.6 | D123 | D123-M125 HydrophobicContact CB-CE 4.16Å; D123-M125 HydrophobicContact CB-CG 4.35Å; D123-M125 PolarHBondContact O-N 3.48Å |
| 126 | W | 58.4 | Low | 52.2 | Low | 255 Ų | 255 | 139.6 Ų | 139.6 | 97% | 0.966 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 31.4 | 178.5 | -89.2 | -4.9 | 0 | 0 | 0 | 115.2 | C124 | C124-W126 VanDerWaalsContact C-N 3.32Å; C124-W126 PolarHBondContact O-N 3.41Å |
| 127 | S | 46.3 | Very low | 52.3 | Low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -112.6 | 64.9 | 160.4 | -90.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 128 | G | 51.3 | Low | 52.2 | Low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 72% | 0.723 | S | S | * | * | trans | -68.8 | 125.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 129 | F | 49.3 | Very low | 52.2 | Low | 217 Ų | 217 | 138.2 Ų | 138.2 | 95% | 0.952 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 67.2 | 83.4 | 174.2 | -66.4 | -93.7 | 0 | 0 | 0 | 118.3 | ||
| 130 | S | 53.9 | Low | 51.9 | Low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -164.2 | -30.9 | 135.9 | -145.4 | 0 | 0 | 0 | 0 | 114.8 | R132 | S130-R132 PolarHBondContact O-N 2.86Š|
| 131 | A | 52.8 | Low | 51.9 | Low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -12.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 132 | R | 46.2 | Very low | 51.8 | Low | 219 Ų | 219 | 138.4 Ų | 138.4 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -28.7 | -172.8 | -170.5 | 171.7 | 173.7 | -129.7 | -8.2 | 114.8 | S130 | S130-R132 PolarHBondContact O-N 2.86Š|
| 133 | E | 48.3 | Very low | 51.6 | Low | 132 Ų | 132 | 136.3 Ų | 136.3 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -13.2 | -174.2 | -148.5 | -152.6 | 122.3 | 0 | 0 | 114 | R137 | E133-R137 PolarHBondContact O-NH1 3.2Å; E133-R137 IonicContact OE1-CZ 3.32Å; E133-R137 IonicContact OE1-NH1 3.15Å; E133-R137 PolarHBondContact OE1-NH1 3.43Å; E133-R137 IonicContact OE1-NH2 3.87Å; E133-R137 PolarHBondContact OE1-NH2 2.91Å |
| 134 | K | 52 | Low | 51.9 | Low | 168 Ų | 168 | 134 Ų | 134 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -7.8 | -173.7 | -146.3 | 169.1 | -175.3 | 175.9 | 0 | 114.3 | ||
| 135 | L | 49.1 | Very low | 51.9 | Low | 120 Ų | 120 | 135.7 Ų | 135.7 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -36.6 | -178.2 | -167 | 59.5 | 0 | 0 | 0 | 113.2 | R137 V138 V139 | L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.48Å; L135-V138 PolarHBondContact O-N 2.88Å; L135-V139 PolarHBondContact O-N 3.33Å |
| 136 | E | 51.3 | Low | 51.3 | Low | 142 Ų | 142 | 132.5 Ų | 132.5 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66.6 | -28.1 | -179 | -69.3 | -175.6 | 158.7 | 0 | 0 | 113.5 | T140 | E136-T140 WeakPolarHBondContact O-CG2 3.32Å; E136-T140 PolarHBondContact O-OG1 3Å |
| 137 | R | 55 | Low | 51 | Low | 151 Ų | 151 | 127.6 Ų | 127.6 | 57% | 0.57 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -76.9 | -25.7 | 177.5 | -63.7 | -175.1 | -176.7 | 101.1 | -11.4 | 113.5 | E133 L135 T140 E141 | E133-R137 PolarHBondContact O-NH1 3.2Å; E133-R137 IonicContact OE1-CZ 3.32Å; E133-R137 IonicContact OE1-NH1 3.15Å; E133-R137 PolarHBondContact OE1-NH1 3.43Å; E133-R137 IonicContact OE1-NH2 3.87Å; E133-R137 PolarHBondContact OE1-NH2 2.91Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.48Å; R137-T140 PolarHBondContact O-OG1 2.81Å; R137-E141 PolarHBondContact O-N 3.47Å |
| 138 | V | 52.8 | Low | 50.8 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 52% | 0.515 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -85.1 | -36.7 | -178.9 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | L135 K142 | L135-V138 PolarHBondContact O-N 2.88Å; V138-K142 WeakPolarHBondContact O-CB 3.16Å; V138-K142 PolarHBondContact O-N 3.42Å; V138-K142 VanDerWaalsContact O-N 3.12Å |
| 139 | V | 53.3 | Low | 50.3 | Low | 96 Ų | 96 | 130.6 Ų | 130.6 | 58% | 0.582 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67 | -38.7 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | L135 | L135-V139 PolarHBondContact O-N 3.33Å |
| 140 | T | 53 | Low | 49.8 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 64% | 0.644 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.4 | -34.3 | 178.1 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | E136 R137 | E136-T140 WeakPolarHBondContact O-CG2 3.32Å; E136-T140 PolarHBondContact O-OG1 3Å; R137-T140 PolarHBondContact O-OG1 2.81Å |
| 141 | E | 54.6 | Low | 48.7 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 53% | 0.533 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72.4 | -38.6 | 175.6 | -163.2 | -173.1 | 157.7 | 0 | 0 | 112.6 | R137 L143 G144 K145 | R137-E141 PolarHBondContact O-N 3.47Å; E141-L143 PolarHBondContact O-N 2.92Å; E141-G144 PolarHBondContact O-N 3.02Å; E141-K145 HydrophobicContact CG-CD 4.35Å; E141-K145 IonicContact OE1-NZ 2.84Å; E141-K145 PolarHBondContact OE1-NZ 3.42Å |
| 142 | K | 54.5 | Low | 47.8 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76.5 | -18.4 | -172.8 | -149.2 | 177.6 | -177.3 | -174.1 | 0 | 114.1 | V138 | V138-K142 WeakPolarHBondContact O-CB 3.16Å; V138-K142 PolarHBondContact O-N 3.42Å; V138-K142 VanDerWaalsContact O-N 3.12Å |
| 143 | L | 49.9 | Very low | 47.1 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80.7 | -25.6 | 168.8 | -170.7 | 58.4 | 0 | 0 | 0 | 112.4 | E141 | E141-L143 PolarHBondContact O-N 2.92Å |
| 144 | G | 50.8 | Low | 46.3 | Very low | 58 Ų | 58 | 116.7 Ų | 116.7 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -77.4 | -17.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E141 | E141-G144 PolarHBondContact O-N 3.02Å |
| 145 | K | 50 | Low | 45.7 | Very low | 145 Ų | 145 | 120.1 Ų | 120.1 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -5.5 | -177.8 | -101.9 | 86.1 | 172.9 | -167.4 | 0 | 115.4 | E141 | E141-K145 HydrophobicContact CG-CD 4.35Å; E141-K145 IonicContact OE1-NZ 2.84Å; E141-K145 PolarHBondContact OE1-NZ 3.42Å |
| 146 | A | 45.4 | Very low | 45 | Very low | 85 Ų | 85 | 122.2 Ų | 122.2 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -85 | -5.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 147 | I | 50.7 | Low | 44.2 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -121.6 | 55.8 | -178.6 | -43.5 | 179.3 | 0 | 0 | 0 | 110.2 | ||
| 148 | S | 43.7 | Very low | 43.1 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -161.9 | 149.1 | 162.8 | -85 | 0 | 0 | 0 | 0 | 110.9 | ||
| 149 | T | 39.2 | Very low | 42.1 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | 58 | 68.8 | 174.4 | 65.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 150 | A | 38.7 | Very low | 41.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -76.8 | 104.5 | 137.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 151 | S | 32.4 | Very low | 40.2 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -170.3 | 133.1 | 163.8 | -166.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 152 | A | 34 | Very low | 39.7 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | 58.3 | 142.9 | 174 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 153 | G | 31 | Very low | 38.7 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | cis | 126.2 | 104.9 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 154 | G | 31.5 | Very low | 37.9 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 145.2 | 91.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 155 | R | 38.5 | Very low | 37 | Very low | 240 Ų | 240 | 136.4 Ų | 136.4 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | 49 | 112.2 | 129.4 | -64.4 | 178.9 | 162.9 | -167.1 | -7.6 | 123.5 | |||||
| 156 | N | 35.1 | Very low | 36.7 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | 37.5 | 129.4 | 126.8 | -54.2 | -2.6 | 0 | 0 | 0 | 123.6 | |||||
| 157 | A | 34.2 | Very low | 36.3 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -156.7 | 150.1 | 140.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 158 | Y | 31.4 | Very low | 35.5 | Very low | 229 Ų | 229 | 139.8 Ų | 139.8 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -105.1 | 141.3 | -176.4 | -114 | -104.9 | 0 | 0 | 0 | 111.7 | ||||
| 159 | V | 32.9 | Very low | 35.3 | Very low | 148 Ų | 148 | 141 Ų | 141 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -147.4 | 150.9 | 153.5 | -177.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 160 | R | 33.6 | Very low | 35.2 | Very low | 223 Ų | 223 | 140.4 Ų | 140.4 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | trans | -98 | 141.4 | -174.3 | -106.9 | -172.7 | 171.2 | -172.1 | -2.6 | 113.4 | ||||
| 161 | V | 33.2 | Very low | 35.4 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | 50.6 | 135.3 | 125.6 | 176.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 162 | P | 42.8 | Very low | 36.6 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | cis | -139.9 | 170.6 | 37.2 | 27.7 | -2.6 | 0 | 0 | 0 | 119.7 | ||||
| 163 | E | 33.1 | Very low | 38 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | 38.3 | 108.8 | 141 | -166.8 | -177.5 | 167.6 | 0 | 0 | 121.6 | ||||
| 164 | V | 34 | Very low | 39.8 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -146 | 116.8 | 143 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 165 | V | 32.3 | Very low | 41.2 | Very low | 103 Ų | 103 | 147 Ų | 147 | 62% | 0.624 | 80% | 0.798 | S | S | * | * | trans | 10.7 | 126 | 142.9 | -174.5 | 0 | 0 | 0 | 0 | 119.4 | R167 | V165-R167 HydrophobicContact CG1-CG 4.47Å; V165-R167 PolarHBondContact O-N 3.33Å | ||
| 166 | S | 43.6 | Very low | 42.2 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -54.8 | 127.7 | 162.8 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 167 | R | 36.3 | Very low | 43.6 | Very low | 224 Ų | 224 | 135.3 Ų | 135.3 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -131.7 | 113.2 | 163.5 | -73.2 | -167.9 | 169.3 | -166.2 | -5.2 | 111 | V165 | V165-R167 HydrophobicContact CG1-CG 4.47Å; V165-R167 PolarHBondContact O-N 3.33Å | ||
| 168 | S | 34.6 | Very low | 45.1 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -62.7 | 133.3 | 163 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | V170 | S168-V170 PolarHBondContact O-N 3.25Š| ||
| 169 | S | 39.4 | Very low | 46.9 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -91.9 | 88.5 | 176.9 | -61 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 170 | V | 35.9 | Very low | 47.7 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | -89.4 | 134.2 | 163.4 | -69.5 | 0 | 0 | 0 | 0 | 109 | S168 E172 | S168-V170 PolarHBondContact O-N 3.25Å; V170-E172 PolarHBondContact O-N 3.1Å | ||
| 171 | S | 42.8 | Very low | 49.1 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -71.8 | 126.5 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | C173 | S171-C173 PolarHBondContact O-N 2.7Š| ||
| 172 | E | 57.8 | Low | 49.6 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -73.4 | 103 | 178 | -171.2 | 172 | -179.1 | 0 | 0 | 109.8 | V170 V174 | V170-E172 PolarHBondContact O-N 3.1Å; E172-V174 PolarHBondContact O-N 3.06Å | ||
| 173 | C | 63.8 | Low | 50.3 | Low | 124 Ų | 124 | 127.3 Ų | 127.3 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118.3 | 178.6 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | S171 | S171-C173 PolarHBondContact O-N 2.7Š|
| 174 | V | 69.4 | Low | 50.8 | Low | 106 Ų | 106 | 125.1 Ų | 125.1 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 126.3 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | E172 | E172-V174 PolarHBondContact O-N 3.06Š|
| 175 | D | 61.1 | Low | 51.1 | Low | 86 Ų | 86 | 125.6 Ų | 125.6 | 46% | 0.46 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 123.2 | 175.8 | 172.9 | 7.4 | 0 | 0 | 0 | 111.1 | A177 I178 | D175-A177 PolarHBondContact O-N 2.94Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-A177 VanDerWaalsContact OD1-CB 3.31Å; D175-A177 WeakPolarHBondContact OD1-CB 3.25Å; D175-A177 PolarHBondContact OD1-N 2.87Å; D175-I178 HydrophobicContact CB-CD1 3.99Å; D175-I178 HydrophobicContact CB-CG1 4.1Å; D175-I178 WeakPolarHBondContact O-CB 3.45Å; D175-I178 WeakPolarHBondContact O-CG1 3.37Å; D175-I178 PolarHBondContact O-N 3.14Å |
| 176 | P | 58.7 | Low | 51.4 | Low | 88 Ų | 88 | 130.6 Ų | 130.6 | 57% | 0.571 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -61.4 | -20.1 | 178.9 | 25.2 | -34.4 | 0 | 0 | 0 | 113.9 | I178 V179 | P176-I178 PolarHBondContact O-N 3.36Å; P176-V179 WeakPolarHBondContact O-CB 3.36Å; P176-V179 PolarHBondContact O-N 2.69Å |
| 177 | A | 64.3 | Low | 51.1 | Low | 71 Ų | 71 | 134.7 Ų | 134.7 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -62.6 | -23.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D175 V179 | D175-A177 PolarHBondContact O-N 2.94Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-A177 VanDerWaalsContact OD1-CB 3.31Å; D175-A177 WeakPolarHBondContact OD1-CB 3.25Å; D175-A177 PolarHBondContact OD1-N 2.87Å; A177-V179 VanDerWaalsContact C-N 3.33Å |
| 178 | I | 67.3 | Low | 50.9 | Low | 126 Ų | 126 | 129.9 Ų | 129.9 | 65% | 0.646 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -77.9 | -22.7 | 176.4 | -47 | 174.2 | 0 | 0 | 0 | 111.1 | D175 P176 | D175-I178 HydrophobicContact CB-CD1 3.99Å; D175-I178 HydrophobicContact CB-CG1 4.1Å; D175-I178 WeakPolarHBondContact O-CB 3.45Å; D175-I178 WeakPolarHBondContact O-CG1 3.37Å; D175-I178 PolarHBondContact O-N 3.14Å; P176-I178 PolarHBondContact O-N 3.36Å |
| 179 | V | 68 | Low | 50.7 | Low | 97 Ų | 97 | 129.6 Ų | 129.6 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -19.3 | -177.7 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | P176 A177 P181 | P176-V179 WeakPolarHBondContact O-CB 3.36Å; P176-V179 PolarHBondContact O-N 2.69Å; A177-V179 VanDerWaalsContact C-N 3.33Å; V179-P181 WeakPolarHBondContact O-CD 3.4Å |
| 180 | F | 50 | Low | 50.5 | Low | 148 Ų | 148 | 129.5 Ų | 129.5 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | trans | -111.6 | 84.8 | -179.8 | -73.2 | -79.6 | 0 | 0 | 0 | 112.9 | F182 | F180-F182 PolarHBondContact O-N 3.26Š| ||
| 181 | P | 62.3 | Low | 50.3 | Low | 109 Ų | 109 | 128.5 Ų | 128.5 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | -77.2 | 65.4 | 176.6 | 33.6 | -37.3 | 0 | 0 | 0 | 112.4 | V179 | V179-P181 WeakPolarHBondContact O-CD 3.4Š| ||
| 182 | F | 43.3 | Very low | 49.9 | Very low | 172 Ų | 172 | 128 Ų | 128 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -126.9 | 106 | 171.6 | -77.2 | -73.2 | 0 | 0 | 0 | 111.1 | F180 V184 | F180-F182 PolarHBondContact O-N 3.26Å; F182-V184 PolarHBondContact O-N 3.47Å | ||
| 183 | P | 57.7 | Low | 48.8 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | trans | -71.3 | 115.2 | 176.2 | -14 | 28.5 | 0 | 0 | 0 | 110.8 | N185 | P183-N185 PolarHBondContact O-N 2.93Š| ||
| 184 | V | 45.1 | Very low | 47.3 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | trans | -70.6 | 101.1 | 168.2 | -74.4 | 0 | 0 | 0 | 0 | 110.2 | F182 | F182-V184 PolarHBondContact O-N 3.47Š| ||
| 185 | N | 40.5 | Very low | 45.7 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 10.8 | 115.5 | 156.3 | 47.7 | 8.3 | 0 | 0 | 0 | 120 | P183 | P183-N185 PolarHBondContact O-N 2.93Š| ||
| 186 | K | 38.3 | Very low | 44.3 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -42.6 | 137.1 | 159.6 | -68.6 | 166.8 | 168.8 | 170.7 | 0 | 114.1 | ||||
| 187 | K | 36.5 | Very low | 43.2 | Very low | 206 Ų | 206 | 128.3 Ų | 128.3 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | -157.2 | 90.5 | 125.2 | -161.1 | 165.5 | -178.3 | -179.3 | 0 | 114.5 | |||||
| 188 | S | 31.7 | Very low | 41.6 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -148.3 | 120.4 | 148.3 | 56.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 189 | S | 31.9 | Very low | 40 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -108.7 | 135.9 | 176.3 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 190 | S | 34.3 | Very low | 38.3 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 63.3 | 140.2 | 174.4 | 36.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 191 | S | 32.6 | Very low | 37.5 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -150 | 149.7 | 13.9 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 192 | S | 33.4 | Very low | 36.1 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 15.6 | 140.9 | 144.6 | 56.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 193 | S | 35.2 | Very low | 35.6 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | -174.9 | 121.8 | 11.2 | 38.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 194 | S | 32.5 | Very low | 34.5 | Very low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | 73.5 | 135.6 | 104.5 | 85.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 195 | K | 35.6 | Very low | 33.9 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 85.6 | 111 | 165.1 | -54.7 | -164 | 176.4 | 178.9 | 0 | 114.6 | ||||
| 196 | D | 30.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 121.6 Ų | 121.6 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | 83.3 | 140.6 | 78.4 | -60.1 | -27.6 | 0 | 0 | 0 | 109.8 | |||||
| 197 | A | 35.8 | Very low | 33.5 | Very low | 84 Ų | 84 | 119.6 Ų | 119.6 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | cis | -170.9 | 157.7 | -20.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 198 | S | 31.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | 65.1 | 134.7 | 157.8 | -162.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 199 | G | 33.7 | Very low | 33.7 | Very low | 65 Ų | 65 | 113.9 Ų | 113.9 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | -80.6 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 200 | T | 32.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -159.5 | 103.7 | 167 | -92.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 201 | V | 33.2 | Very low | 34.3 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | 44.8 | 116.1 | 98.3 | -53.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 202 | N | 32.1 | Very low | 34.6 | Very low | 156 Ų | 156 | 112.7 Ų | 112.7 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 26.3 | 130.9 | 139.9 | -47.1 | -3 | 0 | 0 | 0 | 117.5 | ||||
| 203 | A | 33.5 | Very low | 34.8 | Very low | 86 Ų | 86 | 114.1 Ų | 114.1 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | -176.5 | 157.6 | 50.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 204 | S | 34.4 | Very low | 35.2 | Very low | 106 Ų | 106 | 113 Ų | 113 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | 32.4 | 131.8 | 142 | -42.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 205 | T | 31.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | 177.4 | 160.4 | 64 | -47.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 206 | A | 34.6 | Very low | 36.3 | Very low | 71 Ų | 71 | 115.6 Ų | 115.6 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | trans | 85.7 | 107.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 207 | N | 37.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | 86.7 | 134.7 | 126.2 | -57.3 | -8.3 | 0 | 0 | 0 | 120.2 | |||||
| 208 | G | 33.6 | Very low | 37.9 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | 142.9 | 77.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 209 | S | 37.6 | Very low | 39 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -75.6 | 128.1 | 172 | -47.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 210 | A | 39.8 | Very low | 39.8 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -178.6 | 118.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 211 | A | 39 | Very low | 41 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | 85.3 | 109.5 | 48.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 212 | S | 39.1 | Very low | 41.8 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 64.5 | 159.3 | 167.7 | -74.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 213 | D | 38.6 | Very low | 43 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -159.4 | 168.8 | 15.5 | -138.3 | 17.7 | 0 | 0 | 0 | 112.2 | ||||
| 214 | S | 42.3 | Very low | 43.8 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 52% | 0.524 | 79% | 0.791 | S | S | . | * | trans | 53.6 | 113.5 | 149.4 | -67.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 215 | E | 43.8 | Very low | 44.3 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | 100.6 | 115.3 | 80.8 | -85.3 | 162.4 | -114.7 | 0 | 0 | 109.7 | |||||
| 216 | E | 46.8 | Very low | 45.3 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 65.7 | 110.3 | 95 | -60.1 | -72.3 | -167.9 | 0 | 0 | 112.6 | |||||
| 217 | E | 50.4 | Low | 45.9 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -166.4 | 115.5 | 144.7 | -111.2 | 164.9 | -153.7 | 0 | 0 | 109.2 | ||||
| 218 | D | 49.8 | Very low | 46.4 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | -73.4 | 139.6 | 169.4 | -51.2 | -76.4 | 0 | 0 | 0 | 110.1 | ||||
| 219 | E | 55.8 | Low | 46.9 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -140.2 | 109.4 | 145.8 | -72.4 | -163.6 | 147.4 | 0 | 0 | 108.7 | ||||
| 220 | D | 49.6 | Very low | 47.5 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -73.7 | 131.3 | 164.3 | -56.1 | -71.9 | 0 | 0 | 0 | 108.9 | ||||
| 221 | E | 58.2 | Low | 47.9 | Very low | 187 Ų | 187 | 156.5 Ų | 156.5 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -128.9 | 116.1 | 155.8 | -75.3 | -164 | 144.8 | 0 | 0 | 109.1 | ||||
| 222 | D | 49.4 | Very low | 48.2 | Very low | 147 Ų | 147 | 160.7 Ų | 160.7 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -73.9 | 126.8 | 174 | -54.5 | -74.5 | 0 | 0 | 0 | 110.1 | ||||
| 223 | E | 57.2 | Low | 48.5 | Very low | 198 Ų | 198 | 164 Ų | 164 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -117.8 | 85.7 | 160.1 | -74.1 | -169.5 | 155 | 0 | 0 | 108.8 | ||||
| 224 | D | 50 | Low | 48.6 | Very low | 145 Ų | 145 | 165.7 Ų | 165.7 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -75.2 | 164.9 | 156.7 | -81 | -40.4 | 0 | 0 | 0 | 110 | ||||
| 225 | D | 45.9 | Very low | 48.6 | Very low | 159 Ų | 159 | 170.3 Ų | 170.3 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | 69.5 | 138.1 | 178.8 | -64.9 | -30.6 | 0 | 0 | 0 | 115.2 | ||||
| 226 | E | 52.7 | Low | 48.5 | Very low | 185 Ų | 185 | 169.1 Ų | 169.1 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | cis | -130.4 | 148.5 | 16.7 | -65.9 | 176.4 | 160.5 | 0 | 0 | 111.8 | ||||
| 227 | E | 48.1 | Very low | 48.3 | Very low | 181 Ų | 181 | 169.9 Ų | 169.9 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -83.1 | 123.8 | 168.5 | -63.4 | -168.4 | -178.1 | 0 | 0 | 110.2 | D229 | E227-D229 PolarHBondContact O-N 3Š| ||
| 228 | E | 47.1 | Very low | 47.8 | Very low | 183 Ų | 183 | 168.9 Ų | 168.9 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -90.6 | 94 | 164.4 | -74.3 | -171.3 | 147.9 | 0 | 0 | 109.2 | D230 | E228-D230 PolarHBondContact O-N 3.32Å; E228-D230 VanDerWaalsContact O-N 3.07Å | ||
| 229 | D | 44.5 | Very low | 47.4 | Very low | 144 Ų | 144 | 171 Ų | 171 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | trans | -64.5 | 92.2 | 160.1 | -95.9 | -36.7 | 0 | 0 | 0 | 108.6 | E227 E231 | E227-D229 PolarHBondContact O-N 3Å; D229-E231 PolarHBondContact O-N 3.28Å; D229-E231 VanDerWaalsContact O-N 3.15Å | ||
| 230 | D | 50 | Low | 46.7 | Very low | 149 Ų | 149 | 170.4 Ų | 170.4 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -74.2 | 96.1 | 164.7 | -96.6 | -26.3 | 0 | 0 | 0 | 108.6 | E228 E232 | E228-D230 PolarHBondContact O-N 3.32Å; E228-D230 VanDerWaalsContact O-N 3.07Å; D230-E232 PolarHBondContact O-N 3.49Å; D230-E232 VanDerWaalsContact O-N 3.16Å | ||
| 231 | E | 47.6 | Very low | 46.4 | Very low | 184 Ų | 184 | 172.4 Ų | 172.4 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -61 | 110.7 | 174 | -65.3 | -175.7 | 153.3 | 0 | 0 | 110.4 | D229 E233 | D229-E231 PolarHBondContact O-N 3.28Å; D229-E231 VanDerWaalsContact O-N 3.15Å; E231-E233 PolarHBondContact O-N 3.46Å; E231-E233 VanDerWaalsContact O-N 3.17Å | ||
| 232 | E | 44.7 | Very low | 45.7 | Very low | 182 Ų | 182 | 171.9 Ų | 171.9 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | trans | -67 | 110.5 | 173.6 | -67.8 | -171.3 | 153.4 | 0 | 0 | 110.5 | D230 E234 | D230-E232 PolarHBondContact O-N 3.49Å; D230-E232 VanDerWaalsContact O-N 3.16Å; E232-E234 PolarHBondContact O-N 2.85Å | ||
| 233 | E | 46.1 | Very low | 45.5 | Very low | 184 Ų | 184 | 174 Ų | 174 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -68.9 | 95.7 | 170.7 | -73.1 | -173.4 | 143.3 | 0 | 0 | 110.5 | E231 E235 | E231-E233 PolarHBondContact O-N 3.46Å; E231-E233 VanDerWaalsContact O-N 3.17Å; E233-E235 PolarHBondContact O-N 2.95Å; E233-E235 VanDerWaalsContact O-N 3.12Å | ||
| 234 | E | 41.8 | Very low | 45.3 | Very low | 170 Ų | 170 | 173 Ų | 173 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -71.8 | 95.5 | 164.4 | -73.2 | -144.1 | -146.7 | 0 | 0 | 110.6 | E232 D236 | E232-E234 PolarHBondContact O-N 2.85Å; E234-D236 PolarHBondContact O-N 3.12Å | ||
| 235 | E | 40.5 | Very low | 45.2 | Very low | 172 Ų | 172 | 173.1 Ų | 173.1 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -78.9 | 95.4 | 164 | -77.2 | -165.6 | 139.9 | 0 | 0 | 110.7 | E233 E237 | E233-E235 PolarHBondContact O-N 2.95Å; E233-E235 VanDerWaalsContact O-N 3.12Å; E235-E237 PolarHBondContact O-N 2.73Å; E235-E237 VanDerWaalsContact O-N 3.09Å | ||
| 236 | D | 42.9 | Very low | 45.5 | Very low | 142 Ų | 142 | 172 Ų | 172 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | trans | -59.5 | 99.3 | 161.8 | -84.7 | -46 | 0 | 0 | 0 | 110.9 | E234 | E234-D236 PolarHBondContact O-N 3.12Š| ||
| 237 | E | 42 | Very low | 45.4 | Very low | 176 Ų | 176 | 169.6 Ų | 169.6 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -106.6 | 78.6 | 159.6 | -74 | -161.2 | 154 | 0 | 0 | 111.1 | E235 E239 | E235-E237 PolarHBondContact O-N 2.73Å; E235-E237 VanDerWaalsContact O-N 3.09Å; E237-E239 PolarHBondContact O-N 2.9Å | ||
| 238 | E | 40.8 | Very low | 45.2 | Very low | 179 Ų | 179 | 166.1 Ų | 166.1 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -70.1 | 96.1 | 157.3 | -70 | -170.2 | 148.2 | 0 | 0 | 110.1 | ||||
| 239 | E | 40.4 | Very low | 45.1 | Very low | 182 Ų | 182 | 163.8 Ų | 163.8 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -113.6 | 95.6 | 156.1 | -73.6 | -156.6 | 153.5 | 0 | 0 | 111 | E237 E241 | E237-E239 PolarHBondContact O-N 2.9Å; E239-E241 PolarHBondContact O-N 3.38Å | ||
| 240 | E | 41.9 | Very low | 44.8 | Very low | 184 Ų | 184 | 164 Ų | 164 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -69 | 110.3 | 159.3 | -62.6 | -176.2 | 134.1 | 0 | 0 | 109.5 | ||||
| 241 | E | 43.6 | Very low | 44.3 | Very low | 187 Ų | 187 | 164.3 Ų | 164.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -105.9 | 102.3 | 155.5 | -86.8 | -158.4 | 142.7 | 0 | 0 | 110.6 | E239 E243 | E239-E241 PolarHBondContact O-N 3.38Å; E241-E243 PolarHBondContact O-N 3.13Å | ||
| 242 | E | 41.6 | Very low | 43.9 | Very low | 176 Ų | 176 | 164 Ų | 164 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -67.7 | 108 | 164.3 | -62.7 | -174.7 | 124.2 | 0 | 0 | 109.9 | E244 | E242-E244 PolarHBondContact O-N 3.47Š| ||
| 243 | E | 46.3 | Very low | 43.6 | Very low | 193 Ų | 193 | 165.2 Ų | 165.2 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -72.1 | 76.4 | 160.6 | -80.1 | -161.7 | 147 | 0 | 0 | 110.1 | E241 I245 | E241-E243 PolarHBondContact O-N 3.13Å; E243-I245 PolarHBondContact O-N 3.02Å | ||
| 244 | E | 53.3 | Low | 43.1 | Very low | 175 Ų | 175 | 167.7 Ų | 167.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 122 | 163.9 | -172 | 174.1 | -153.8 | 0 | 0 | 109.7 | E242 D246 | E242-E244 PolarHBondContact O-N 3.47Å; E244-D246 PolarHBondContact O-N 2.97Å | ||
| 245 | I | 46.4 | Very low | 42.6 | Very low | 149 Ų | 149 | 164.5 Ų | 164.5 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -82.4 | 86.7 | -175.3 | -45.1 | 171.3 | 0 | 0 | 0 | 109.2 | E243 V247 | E243-I245 PolarHBondContact O-N 3.02Å; I245-V247 WeakPolarHBondContact O-CG2 3.41Å; I245-V247 PolarHBondContact O-N 3.15Å | ||
| 246 | D | 53.6 | Low | 42.1 | Very low | 134 Ų | 134 | 163.2 Ų | 163.2 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -64.8 | 106.7 | 179 | -175.7 | 25.5 | 0 | 0 | 0 | 112.3 | E244 V248 | E244-D246 PolarHBondContact O-N 2.97Å; D246-V248 PolarHBondContact O-N 3.49Å; D246-V248 VanDerWaalsContact O-N 3.16Å; D246-V248 WeakPolarHBondContact OD1-CG2 3.44Å | ||
| 247 | V | 49.7 | Very low | 41.9 | Very low | 136 Ų | 136 | 164.2 Ų | 164.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -87.6 | 73 | 178.7 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | I245 | I245-V247 WeakPolarHBondContact O-CG2 3.41Å; I245-V247 PolarHBondContact O-N 3.15Å | ||
| 248 | V | 44.6 | Very low | 41.3 | Very low | 107 Ų | 107 | 161.5 Ų | 161.5 | 65% | 0.648 | 81% | 0.814 | S | S | * | * | trans | -119.1 | 131.2 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | D246 | D246-V248 PolarHBondContact O-N 3.49Å; D246-V248 VanDerWaalsContact O-N 3.16Å; D246-V248 WeakPolarHBondContact OD1-CG2 3.44Å | ||
| 249 | T | 44.9 | Very low | 41.1 | Very low | 134 Ų | 134 | 162.7 Ų | 162.7 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -61.3 | 142.9 | -177.6 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | E251 | T249-E251 PolarHBondContact O-N 3.35Š| ||
| 250 | V | 37.7 | Very low | 40.7 | Very low | 149 Ų | 149 | 160.6 Ų | 160.6 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | trans | -72.9 | 107.2 | -174.6 | -174.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 251 | E | 38.9 | Very low | 40.2 | Very low | 156 Ų | 156 | 157.1 Ų | 157.1 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | trans | -145.7 | 83.2 | 153.5 | -154.5 | -175.7 | 156.6 | 0 | 0 | 116.5 | T249 R253 | T249-E251 PolarHBondContact O-N 3.35Å; E251-R253 IonicContact OE1-NH2 2.74Å; E251-R253 PolarHBondContact OE1-NH2 3.49Å | ||
| 252 | K | 41 | Very low | 40.6 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | 20.1 | 108.7 | 133.4 | -175.2 | -174 | 175.4 | 179.8 | 0 | 119.4 | ||||
| 253 | R | 37.9 | Very low | 40.1 | Very low | 207 Ų | 207 | 153 Ų | 153 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | 179.8 | 117.5 | 124.9 | -102.4 | 166.6 | -89.4 | -157.5 | 0.9 | 117.1 | E251 | E251-R253 IonicContact OE1-NH2 2.74Å; E251-R253 PolarHBondContact OE1-NH2 3.49Å | |||
| 254 | R | 35.1 | Very low | 39.3 | Very low | 237 Ų | 237 | 149.1 Ų | 149.1 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | 52.2 | 105.6 | 135.4 | -137.3 | -179.1 | -171.4 | -141.7 | 1.3 | 122.9 | ||||
| 255 | S | 31.5 | Very low | 38.4 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 42.7 | 122.9 | 136.4 | -47.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 256 | T | 30.5 | Very low | 37.7 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | 170.1 | 164.1 | 104 | 35.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 257 | I | 38.7 | Very low | 36.8 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 138.6 | -176.5 | -172.1 | 171.7 | 0 | 0 | 0 | 114.4 | ||||
| 258 | S | 29.2 | Very low | 36.1 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -173.8 | 148.3 | 139.6 | 48 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 259 | K | 36.1 | Very low | 35.6 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -107.5 | 119.8 | -177.2 | 163.3 | -176.6 | 178.7 | 169.6 | 0 | 109.7 | ||||
| 260 | T | 32 | Very low | 35 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -166.5 | 131.7 | 156.2 | 43.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 261 | S | 31.3 | Very low | 34.6 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -105.2 | -178 | 151.4 | 63.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 262 | P | 53 | Low | 34.4 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -135.7 | -161.7 | -3.3 | 41.7 | -23 | 0 | 0 | 0 | 114 | ||||
| 263 | M | 30.5 | Very low | 34.3 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | trans | 116.5 | 122.2 | 140.9 | -112.3 | -179 | 77.7 | 0 | 0 | 121.2 | ||||
| 264 | T | 30.1 | Very low | 34.8 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | 96.5 | 135.4 | 126.6 | -155.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 265 | T | 33.5 | Very low | 34.8 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 85.5 | 115.5 | 157.4 | -26.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 266 | G | 31.7 | Very low | 34.9 | Very low | 63 Ų | 63 | 134.4 Ų | 134.4 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | cis | 111.5 | 113.4 | 1.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 267 | I | 34.9 | Very low | 35.1 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | 176.4 | 135.6 | 163.4 | -89 | 143.3 | 0 | 0 | 0 | 105.3 | ||||
| 268 | G | 34.3 | Very low | 35.2 | Very low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | cis | 131 | 84.6 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 269 | T | 34.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | 178 | 125.9 | 158.4 | 26.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 270 | I | 33.3 | Very low | 36 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | cis | 77.5 | 105 | 30.6 | -46.9 | 174 | 0 | 0 | 0 | 115 | ||||
| 271 | C | 29.5 | Very low | 36 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 168.2 | 99.9 | 131.2 | -96.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 272 | V | 33.8 | Very low | 36.4 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 71.7 | 123.6 | 95.1 | -59.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 273 | N | 38.5 | Very low | 35.7 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -87.5 | 164.6 | 162 | -67.7 | 5.3 | 0 | 0 | 0 | 111.1 | ||||
| 274 | P | 49.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | trans | -113.4 | 171.4 | 147.2 | 35.9 | -27 | 0 | 0 | 0 | 113 | ||||
| 275 | K | 34.3 | Very low | 36.2 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -142.2 | 137.1 | -161.9 | 166.7 | 176.6 | 175.9 | 172.2 | 0 | 111.9 | ||||
| 276 | S | 34 | Very low | 36.2 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 176.6 | 156.8 | 159 | 42.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 277 | Q | 34.7 | Very low | 36.2 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | cis | 152.9 | 121.9 | -31.7 | -175.4 | 173.4 | 13.9 | 0 | 0 | 107.6 | ||||
| 278 | D | 41.9 | Very low | 36.2 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | 18.4 | 131.7 | 160.6 | -52.4 | -53.2 | 0 | 0 | 0 | 123.3 | ||||
| 279 | A | 39.3 | Very low | 36.5 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -156.3 | 133 | 137.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 280 | R | 43 | Very low | 36.4 | Very low | 261 Ų | 261 | 133.6 Ų | 133.6 | 99% | 0.985 | 81% | 0.812 | S | S | * | * | trans | -106.5 | 143.8 | 164.1 | -78.1 | 178.6 | 169.2 | 148.4 | -4.1 | 109.2 | ||||
| 281 | G | 31.6 | Very low | 36.7 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | -168.9 | 140 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 282 | I | 40 | Very low | 36.8 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -109.5 | 141 | -166.7 | -64.6 | 160.2 | 0 | 0 | 0 | 111 | ||||
| 283 | V | 37.4 | Very low | 37.1 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -155.6 | 144.9 | 141.5 | 73.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 284 | S | 38.2 | Very low | 37 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -100 | 152 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | G | 32.5 | Very low | 36.5 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -166.4 | 106 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 286 | S | 34.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 92% | 0.923 | 81% | 0.809 | S | S | * | * | trans | -100 | 145 | 175.1 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 287 | G | 32 | Very low | 37 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | 151.2 | 88.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 288 | V | 34.4 | Very low | 37.1 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | 43.1 | 122 | 131.3 | -173.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 289 | V | 39.8 | Very low | 37 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | -173.8 | 136.2 | 111.2 | 153.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 290 | S | 33 | Very low | 37.1 | Very low | 83 Ų | 83 | 144.6 Ų | 144.6 | 58% | 0.58 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 148 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 291 | R | 38.6 | Very low | 37.4 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -144.8 | 108.6 | 150.1 | -163.4 | 171.3 | -66.2 | 174.4 | 1.1 | 111.9 | ||||
| 292 | F | 32.4 | Very low | 37.9 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -64.5 | 135.7 | 170.2 | -74 | -102.3 | 0 | 0 | 0 | 111.8 | ||||
| 293 | I | 39.8 | Very low | 38.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -137.8 | 117.4 | 145.4 | -61.3 | -174.9 | 0 | 0 | 0 | 107.9 | ||||
| 294 | S | 35.9 | Very low | 38.9 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -74.6 | 137.7 | 175.5 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 295 | R | 39.5 | Very low | 39 | Very low | 235 Ų | 235 | 149.5 Ų | 149.5 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -148.5 | 136.9 | 153.4 | -150.4 | 168.2 | -178.3 | 175.2 | -1.4 | 110.9 | ||||
| 296 | A | 38 | Very low | 39.6 | Very low | 79 Ų | 79 | 150.7 Ų | 150.7 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 156.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q298 | A296-Q298 PolarHBondContact O-N 3.34Š|
| 297 | P | 40.4 | Very low | 39.9 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 126.4 | 178.6 | 28.1 | -34.6 | 0 | 0 | 0 | 110.4 | ||
| 298 | Q | 36.8 | Very low | 40.6 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 129.2 | 163 | -70.6 | -170.3 | -20.3 | 0 | 0 | 108.2 | A296 L300 | A296-Q298 PolarHBondContact O-N 3.34Å; Q298-L300 PolarHBondContact O-N 3.36Å |
| 299 | E | 38.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 157.1 Ų | 157.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.8 | -179.1 | -60.6 | -174.7 | 156.2 | 0 | 0 | 110.7 | I301 | E299-I301 VanDerWaalsContact C-N 3.33Å; E299-I301 PolarHBondContact O-N 3.11Å |
| 300 | L | 42.8 | Very low | 41.7 | Very low | 169 Ų | 169 | 158.2 Ų | 158.2 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -76.9 | 86.5 | 176.1 | -67 | 175.5 | 0 | 0 | 0 | 109.4 | Q298 L302 | Q298-L300 PolarHBondContact O-N 3.36Å; L300-L302 PolarHBondContact O-N 2.84Å; L300-L302 VanDerWaalsContact O-N 3.1Å | ||
| 301 | I | 48.5 | Very low | 42.5 | Very low | 154 Ų | 154 | 162.3 Ų | 162.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -60.1 | 114.6 | 173.3 | -62 | 173.2 | 0 | 0 | 0 | 108.8 | E299 K303 | E299-I301 VanDerWaalsContact C-N 3.33Å; E299-I301 PolarHBondContact O-N 3.11Å; I301-K303 PolarHBondContact O-N 3.33Å | ||
| 302 | L | 42.8 | Very low | 42.7 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -62.3 | 110.2 | -179.5 | -140.6 | 73.9 | 0 | 0 | 0 | 109.8 | L300 R304 | L300-L302 PolarHBondContact O-N 2.84Å; L300-L302 VanDerWaalsContact O-N 3.1Å; L302-R304 PolarHBondContact O-N 3.13Å | ||
| 303 | K | 52.2 | Low | 43.9 | Very low | 205 Ų | 205 | 156.2 Ų | 156.2 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -70 | 95.8 | -175 | -168.5 | 177.7 | -176.7 | -178.8 | 0 | 110.1 | I301 S305 | I301-K303 PolarHBondContact O-N 3.33Å; K303-S305 PolarHBondContact O-N 2.95Å; K303-S305 VanDerWaalsContact O-N 3.14Å | ||
| 304 | R | 45.6 | Very low | 44.3 | Very low | 240 Ų | 240 | 159 Ų | 159 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -50.3 | 116.9 | 172.9 | -82 | 179.1 | 153.6 | -172.1 | -7.7 | 110.5 | L302 S306 | L302-R304 PolarHBondContact O-N 3.13Å; R304-S306 PolarHBondContact O-N 2.93Å | ||
| 305 | S | 39.8 | Very low | 45.2 | Very low | 113 Ų | 113 | 158.1 Ų | 158.1 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -70.7 | 114.3 | 167.5 | 37.4 | 0 | 0 | 0 | 0 | 109.3 | K303 V307 | K303-S305 PolarHBondContact O-N 2.95Å; K303-S305 VanDerWaalsContact O-N 3.14Å; S305-V307 PolarHBondContact O-N 3.17Å | ||
| 306 | S | 45.7 | Very low | 45.7 | Very low | 104 Ų | 104 | 151.1 Ų | 151.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -77 | 112.7 | 169.5 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | R304 H308 | R304-S306 PolarHBondContact O-N 2.93Å; S306-H308 PolarHBondContact O-N 3.46Å; S306-H308 VanDerWaalsContact O-N 3.11Å | ||
| 307 | V | 41.6 | Very low | 46.5 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -66.1 | 108.6 | 170.3 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | S305 Q309 | S305-V307 PolarHBondContact O-N 3.17Å; V307-Q309 PolarHBondContact O-N 3.08Å; V307-Q309 VanDerWaalsContact O-N 3.13Å | ||
| 308 | H | 45.6 | Very low | 46.7 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | -70.7 | 104 | 170.4 | -114 | 67.3 | 0 | 0 | 0 | 108.4 | S306 Q310 | S306-H308 PolarHBondContact O-N 3.46Å; S306-H308 VanDerWaalsContact O-N 3.11Å; H308-Q310 VanDerWaalsContact C-N 3.34Å; H308-Q310 PolarHBondContact O-N 3.31Å | ||
| 309 | Q | 48.1 | Very low | 47.3 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 89.7 | 174.1 | -166.5 | 171.3 | 27 | 0 | 0 | 108.8 | V307 Q311 | V307-Q309 PolarHBondContact O-N 3.08Å; V307-Q309 VanDerWaalsContact O-N 3.13Å; Q309-Q311 PolarHBondContact O-N 2.72Å | ||
| 310 | Q | 49.9 | Very low | 47.6 | Very low | 152 Ų | 152 | 152 Ų | 152 | 71% | 0.71 | 79% | 0.794 | S | S | * | * | trans | -63.3 | 107.1 | 172.3 | -88.3 | -175 | -21.8 | 0 | 0 | 109.6 | H308 H312 | H308-Q310 VanDerWaalsContact C-N 3.34Å; H308-Q310 PolarHBondContact O-N 3.31Å; Q310-H312 PolarHBondContact O-N 3.43Å | ||
| 311 | Q | 49.5 | Very low | 47.9 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -74.4 | 111.5 | 163.4 | -68 | -171.9 | -16.6 | 0 | 0 | 108.3 | Q309 N313 | Q309-Q311 PolarHBondContact O-N 2.72Å; Q311-N313 PolarHBondContact O-N 3.25Å | ||
| 312 | H | 43.8 | Very low | 47.6 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 63% | 0.625 | 78% | 0.784 | S | S | * | * | trans | -74.2 | 110.6 | 176.7 | -72.9 | -88.3 | 0 | 0 | 0 | 110.3 | Q310 Y314 | Q310-H312 PolarHBondContact O-N 3.43Å; H312-Y314 HydrophobicContact CB-CD2 4.1Å; H312-Y314 HydrophobicContact CB-CE2 3.78Å; H312-Y314 PolarHBondContact O-N 2.86Å | ||
| 313 | N | 55.8 | Low | 47.5 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -77.7 | 101.7 | 172.4 | -81.9 | -74.4 | 0 | 0 | 0 | 110.3 | Q311 A315 | Q311-N313 PolarHBondContact O-N 3.25Å; N313-A315 PolarHBondContact O-N 3.32Å | ||
| 314 | Y | 48.6 | Very low | 47 | Very low | 222 Ų | 222 | 144.1 Ų | 144.1 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 38.5 | 179.6 | -86.1 | -88.2 | 0 | 0 | 0 | 114.1 | H312 | H312-Y314 HydrophobicContact CB-CD2 4.1Å; H312-Y314 HydrophobicContact CB-CE2 3.78Å; H312-Y314 PolarHBondContact O-N 2.86Å | ||
| 315 | A | 55.4 | Low | 46.8 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -140.4 | 33.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | N313 | N313-A315 PolarHBondContact O-N 3.32Š| ||
| 316 | A | 50.6 | Low | 46.8 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 122.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 317 | P | 53.7 | Low | 46.5 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 148.4 | 173 | -22.5 | 34.3 | 0 | 0 | 0 | 113 | ||
| 318 | S | 45.5 | Very low | 46.8 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 129.6 | -179.7 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | Y320 | S318-Y320 VanDerWaalsContact C-N 3.32Å; S318-Y320 PolarHBondContact O-N 3.15Å |
| 319 | P | 49.8 | Very low | 47 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -86.7 | 64.5 | -178.8 | 36.6 | -36.1 | 0 | 0 | 0 | 112 | ||
| 320 | Y | 43.8 | Very low | 47.3 | Very low | 219 Ų | 219 | 135.8 Ų | 135.8 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | -152 | 79.1 | 163.2 | -133.5 | -87.1 | 0 | 0 | 0 | 111.3 | S318 | S318-Y320 VanDerWaalsContact C-N 3.32Å; S318-Y320 PolarHBondContact O-N 3.15Å | ||
| 321 | A | 49.2 | Very low | 46.7 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -142.8 | 96.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 322 | S | 41.8 | Very low | 45.9 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -173.3 | 100.7 | 163.1 | 53.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 323 | D | 41.5 | Very low | 45.5 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | 79.5 | 108.1 | 88.2 | -76.6 | -51.6 | 0 | 0 | 0 | 112.5 | |||||
| 324 | D | 41.6 | Very low | 44.3 | Very low | 177 Ų | 177 | 141 Ų | 141 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | trans | -156.5 | 142.3 | 136.9 | -121.8 | -42.8 | 0 | 0 | 0 | 110 | ||||
| 325 | D | 41.9 | Very low | 43.3 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | -126.2 | 127.5 | -158.1 | 169.8 | 33.8 | 0 | 0 | 0 | 111.9 | ||||
| 326 | L | 39.5 | Very low | 42.1 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -149.8 | 151.7 | 161.4 | -78.3 | -172.2 | 0 | 0 | 0 | 113.2 | ||||
| 327 | T | 38.8 | Very low | 41.1 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -99.8 | 167.7 | -152.5 | 40.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 328 | P | 47.7 | Very low | 40 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -97.7 | -160.8 | -172 | 43.4 | -39.4 | 0 | 0 | 0 | 112.5 | ||||
| 329 | P | 51.3 | Low | 39.2 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | cis | -131.2 | -134.3 | -3.2 | 41.3 | -18.2 | 0 | 0 | 0 | 111.2 | ||||
| 330 | P | 53.2 | Low | 38.4 | Very low | 101 Ų | 101 | 146 Ų | 146 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | cis | -137.1 | 152.2 | -26 | 35.5 | -15.6 | 0 | 0 | 0 | 118.6 | ||||
| 331 | K | 37.1 | Very low | 38.3 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 44.7 | 129.3 | 139.2 | -58.2 | 174.3 | -179.3 | 176.3 | 0 | 122.4 | ||||
| 332 | K | 33.8 | Very low | 38 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | 170.6 | 138.2 | 115.3 | -96.5 | 163.9 | -178.5 | 178.6 | 0 | 115.8 | |||||
| 333 | Q | 35.6 | Very low | 37.4 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 63.7 | 156.4 | 140.3 | -66.9 | 170 | -54.3 | 0 | 0 | 118.5 | ||||
| 334 | K | 29.7 | Very low | 37 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | cis | -174 | 153.2 | -15 | 163 | 177 | 170.3 | 179.6 | 0 | 107.5 | ||||
| 335 | T | 28.1 | Very low | 36.3 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 62.8 | 153.6 | 168.5 | 39.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 336 | S | 30.7 | Very low | 35.7 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | cis | -167.3 | 157.2 | -3.7 | 38.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 337 | E | 28.7 | Very low | 35.4 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 35.3 | 145 | 138.1 | -61.8 | 177.5 | 157.1 | 0 | 0 | 121.4 | ||||
| 338 | T | 30.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -176.1 | 177.4 | -4.9 | -176 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 339 | S | 29.7 | Very low | 34.2 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 79.7 | 103 | 156.2 | -62.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 340 | R | 32.7 | Very low | 33.3 | Very low | 236 Ų | 236 | 144 Ų | 144 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -52.6 | -176.2 | 141.4 | -113.9 | -170.6 | 163.6 | -160.4 | -0.2 | 113.3 | ||||
| 341 | P | 42.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | cis | -132 | -131.5 | -22.4 | 37.4 | -13.7 | 0 | 0 | 0 | 111.8 | ||||
| 342 | P | 42.8 | Very low | 32 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -121.8 | 177.7 | -134.2 | 35 | -10.9 | 0 | 0 | 0 | 115.9 | ||||
| 343 | I | 27.7 | Very low | 32.2 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -122.9 | 134.2 | 160.5 | -58.8 | 172.3 | 0 | 0 | 0 | 106.9 | ||||
| 344 | R | 33.6 | Very low | 32.2 | Very low | 245 Ų | 245 | 137 Ų | 137 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -162.9 | 123.4 | 134.6 | -104.5 | -178.2 | 95.7 | -177.3 | 7.5 | 110.1 | ||||
| 345 | T | 27.7 | Very low | 32.5 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -81.6 | 152.6 | 168.3 | 41.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 346 | S | 28.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -129.5 | 128.9 | 160.8 | 55.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 347 | S | 32.6 | Very low | 32.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -69.1 | 148.2 | -176.2 | 38.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 348 | S | 29.9 | Very low | 33.2 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -110.3 | 135.3 | 173.4 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 349 | S | 33.2 | Very low | 33.4 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -143.6 | 150.8 | 151.9 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 350 | S | 32.2 | Very low | 34 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -148.2 | 128.7 | -153.6 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 351 | T | 31 | Very low | 34.9 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | -156.1 | 117.1 | 161.5 | 41.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 352 | S | 31.9 | Very low | 34.7 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | -162.7 | 125.7 | 157.9 | 60 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 353 | S | 36.8 | Very low | 34.6 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -117.2 | 137 | -178.8 | 26.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 354 | S | 36.4 | Very low | 35.4 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | 52.5 | 115.2 | 152.3 | 58.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 355 | S | 35.1 | Very low | 35.6 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | -169.6 | 154.9 | 102.8 | 29.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 356 | S | 35.2 | Very low | 36.2 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -79.4 | 175 | -179.2 | 44.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 357 | C | 32.5 | Very low | 37.2 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 68% | 0.676 | 82% | 0.821 | S | S | * | * | cis | -166 | 164.8 | 24.3 | 35.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 358 | T | 35.1 | Very low | 37.8 | Very low | 127 Ų | 127 | 122 Ų | 122 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | 59 | 138.4 | 148.9 | 47.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 359 | S | 34.3 | Very low | 39.1 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | cis | -157.9 | 167.5 | 3.1 | -80.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 360 | A | 41.7 | Very low | 39.7 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -106.4 | -171.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 361 | P | 53 | Low | 40.8 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | cis | -135.5 | 170.7 | -11.6 | 31.9 | -9.9 | 0 | 0 | 0 | 116.7 | ||||
| 362 | S | 36.9 | Very low | 41.6 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 27 | 127.8 | 144.7 | -49.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 363 | I | 42.2 | Very low | 42.2 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | -148.8 | 148.1 | 123.8 | -67.4 | -160.4 | 0 | 0 | 0 | 109 | |||||
| 364 | A | 43.7 | Very low | 43 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -91.8 | 153.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 365 | G | 37.6 | Very low | 43.3 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 93.5 | 115.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 366 | A | 40.6 | Very low | 44.2 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -169.5 | 132.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 367 | R | 50.4 | Low | 45.1 | Very low | 256 Ų | 256 | 123.6 Ų | 123.6 | 97% | 0.966 | 77% | 0.772 | S | S | * | * | trans | -73.1 | 134.7 | 163.5 | -73.3 | 169 | 155.1 | 177.9 | -7.2 | 108.8 | ||||
| 368 | S | 44.3 | Very low | 46 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -143 | 105.9 | 159.1 | -142.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 369 | K | 56.1 | Low | 47.1 | Very low | 207 Ų | 207 | 128.7 Ų | 128.7 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 120.7 | 161.9 | -63.5 | 179.9 | 178.4 | -175.3 | 0 | 106.6 | ||||
| 370 | R | 46.4 | Very low | 48.1 | Very low | 200 Ų | 200 | 126 Ų | 126 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -142.5 | 92.2 | 169.4 | -158 | 174.5 | -93.1 | -108.5 | 5.3 | 110.5 | T372 | R370-T372 HydrophobicContact CG-CG2 4.14Å; R370-T372 PolarHBondContact O-N 2.98Å | ||
| 371 | S | 55 | Low | 48.8 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -72 | 111.3 | 163 | -44.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 372 | T | 47.7 | Very low | 49.2 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | trans | -147.4 | 131.3 | 169.7 | 41.8 | 0 | 0 | 0 | 0 | 111.1 | R370 | R370-T372 HydrophobicContact CG-CG2 4.14Å; R370-T372 PolarHBondContact O-N 2.98Å | ||
| 373 | S | 45.7 | Very low | 50.9 | Low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 55.2 | 118.7 | 152.9 | 54.7 | 0 | 0 | 0 | 0 | 118.2 | D375 | S373-D375 PolarHBondContact O-N 2.72Š| ||
| 374 | G | 52.8 | Low | 52.6 | Low | 77 Ų | 77 | 119 Ų | 119 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | -64.1 | 133.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 375 | D | 42.7 | Very low | 54.6 | Low | 134 Ų | 134 | 120 Ų | 120 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | -90.4 | 96.2 | 159 | -179.8 | 43.2 | 0 | 0 | 0 | 108.2 | S373 S377 | S373-D375 PolarHBondContact O-N 2.72Å; D375-S377 VanDerWaalsContact CG-OG 3.3Å; D375-S377 PolarHBondContact O-N 3.01Å; D375-S377 PolarHBondContact OD1-OG 3.28Å; D375-S377 WeakPolarHBondContact OD2-CB 3.3Å; D375-S377 PolarHBondContact OD2-OG 2.98Å | ||
| 376 | S | 55 | Low | 57.3 | Low | 119 Ų | 119 | 119.7 Ų | 119.7 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | trans | -78.7 | 58.5 | 171.4 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | P378 | S376-P378 WeakPolarHBondContact O-CD 3.47Š| ||
| 377 | S | 52.8 | Low | 59.8 | Low | 55 Ų | 55 | 117 Ų | 117 | 39% | 0.385 | 67% | 0.667 | S | S | . | * | trans | -68.1 | 121 | 171.9 | -92 | 0 | 0 | 0 | 0 | 109.9 | D375 R379 | D375-S377 VanDerWaalsContact CG-OG 3.3Å; D375-S377 PolarHBondContact O-N 3.01Å; D375-S377 PolarHBondContact OD1-OG 3.28Å; D375-S377 WeakPolarHBondContact OD2-CB 3.3Å; D375-S377 PolarHBondContact OD2-OG 2.98Å; S377-R379 PolarHBondContact O-N 3.34Å | ||
| 378 | P | 53 | Low | 62 | Low | 128 Ų | 128 | 109 Ų | 109 | 83% | 0.831 | 64% | 0.641 | S | S | * | * | trans | -78.8 | 61.8 | -178.7 | 33.9 | -36.4 | 0 | 0 | 0 | 111.5 | S376 G380 | S376-P378 WeakPolarHBondContact O-CD 3.47Å; P378-G380 VanDerWaalsContact C-N 3.33Å | ||
| 379 | R | 57.6 | Low | 64.5 | Low | 207 Ų | 207 | 112.4 Ų | 112.4 | 78% | 0.781 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 0.1 | 180 | -64.1 | -177.7 | 82.8 | -154.2 | 2.6 | 114 | S377 S381 S382 | S377-R379 PolarHBondContact O-N 3.34Å; R379-S381 PolarHBondContact O-N 3.05Å; R379-S381 VanDerWaalsContact O-N 3.11Å; R379-S382 PolarHBondContact O-N 3.18Å |
| 380 | G | 54.4 | Low | 66.4 | Low | 59 Ų | 59 | 108.4 Ų | 108.4 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.3 | -14.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | P378 S384 | P378-G380 VanDerWaalsContact C-N 3.33Å; G380-S384 PolarHBondContact O-OG 2.82Å |
| 381 | S | 56.2 | Low | 68.9 | Low | 81 Ų | 81 | 106 Ų | 106 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.7 | -26.6 | 177.6 | -167.7 | 0 | 0 | 0 | 0 | 114 | R379 S384 E385 | R379-S381 PolarHBondContact O-N 3.05Å; R379-S381 VanDerWaalsContact O-N 3.11Å; S381-S384 WeakPolarHBondContact CA-OG 3.5Å; S381-S384 PolarHBondContact O-OG 3.36Å; S381-E385 PolarHBondContact O-N 3.4Å |
| 382 | S | 62 | Low | 70.9 | Confident | 90 Ų | 90 | 103.6 Ų | 103.6 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.9 | -32.3 | -175.4 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | R379 D386 | R379-S382 PolarHBondContact O-N 3.18Å; S382-D386 PolarHBondContact O-N 3.48Å |
| 383 | D | 72.8 | Confident | 73.3 | Confident | 108 Ų | 108 | 105 Ų | 105 | 58% | 0.578 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.7 | -30.4 | 178.2 | -174.3 | 62.8 | 0 | 0 | 0 | 111.8 | S387 | D383-S387 VanDerWaalsContact O-CB 3.26Å; D383-S387 WeakPolarHBondContact O-CB 3.27Å; D383-S387 PolarHBondContact O-N 3.37Å; D383-S387 PolarHBondContact O-OG 2.98Å |
| 384 | S | 78.3 | Confident | 75.8 | Confident | 64 Ų | 64 | 104 Ų | 104 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.2 | -40 | 172.2 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | G380 S381 S387 E388 | G380-S384 PolarHBondContact O-OG 2.82Å; S381-S384 WeakPolarHBondContact CA-OG 3.5Å; S381-S384 PolarHBondContact O-OG 3.36Å; S384-S387 PolarHBondContact O-N 3.1Å; S384-E388 WeakPolarHBondContact O-CB 3.36Å; S384-E388 PolarHBondContact O-N 3.32Å |
| 385 | E | 85.8 | Confident | 78 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 55% | 0.547 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | 176.6 | -73.1 | -164 | 131.1 | 0 | 0 | 112.5 | S381 R389 | S381-E385 PolarHBondContact O-N 3.4Å; E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.25Å; E385-R389 PolarHBondContact O-N 2.99Å |
| 386 | D | 93.3 | Very high | 80.7 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 40% | 0.396 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 173.6 | 179.5 | 73 | 0 | 0 | 0 | 112 | S382 E388 R389 R390 | S382-D386 PolarHBondContact O-N 3.48Å; D386-E388 VanDerWaalsContact C-N 3.33Å; D386-E388 PolarHBondContact O-N 2.76Å; D386-R389 PolarHBondContact O-N 3.18Å; D386-R390 PolarHBondContact O-N 3.09Å; D386-R390 IonicContact OD2-CZ 3.32Å; D386-R390 IonicContact OD2-NE 2.76Å; D386-R390 PolarHBondContact OD2-NE 3.17Å; D386-R390 IonicContact OD2-NH2 2.76Å; D386-R390 PolarHBondContact OD2-NH2 3.16Å |
| 387 | S | 93.9 | Very high | 82.7 | Confident | 44 Ų | 44 | 100.2 Ų | 100.2 | 31% | 0.308 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.7 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | D383 S384 R390 R391 | D383-S387 VanDerWaalsContact O-CB 3.26Å; D383-S387 WeakPolarHBondContact O-CB 3.27Å; D383-S387 PolarHBondContact O-N 3.37Å; D383-S387 PolarHBondContact O-OG 2.98Å; S384-S387 PolarHBondContact O-N 3.1Å; S387-R390 PolarHBondContact O-N 3.26Å; S387-R390 PolarHBondContact OG-NH2 3.07Å; S387-R391 WeakPolarHBondContact O-CB 3.47Å; S387-R391 PolarHBondContact O-N 3.07Å |
| 388 | E | 95.8 | Very high | 84.9 | Confident | 88 Ų | 88 | 105.6 Ų | 105.6 | 41% | 0.411 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 174.3 | -167.9 | 57.2 | -130 | 0 | 0 | 111.6 | S384 D386 R391 N392 | S384-E388 WeakPolarHBondContact O-CB 3.36Å; S384-E388 PolarHBondContact O-N 3.32Å; D386-E388 VanDerWaalsContact C-N 3.33Å; D386-E388 PolarHBondContact O-N 2.76Å; E388-R391 WeakPolarHBondContact O-CB 3.44Å; E388-R391 PolarHBondContact O-N 3.11Å; E388-R391 IonicContact OE1-NH1 2.73Å; E388-N392 PolarHBondContact O-N 3.34Å; E388-N392 PolarHBondContact O-ND2 3.27Å; E388-N392 PolarHBondContact OE1-ND2 2.76Å |
| 389 | R | 96.6 | Very high | 87.1 | Confident | 178 Ų | 178 | 104.3 Ų | 104.3 | 67% | 0.672 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -47.2 | 172.8 | -75.1 | 171.6 | -173.4 | -81.1 | -2.4 | 111.8 | E385 D386 R391 N392 H393 | E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.25Å; E385-R389 PolarHBondContact O-N 2.99Å; D386-R389 PolarHBondContact O-N 3.18Å; R389-R391 VanDerWaalsContact C-N 3.31Å; R389-R391 PolarHBondContact O-N 3.45Å; R389-N392 PolarHBondContact O-N 2.97Å; R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 2.76Å |
| 390 | R | 97.1 | Very high | 89.1 | Confident | 123 Ų | 123 | 101.3 Ų | 101.3 | 46% | 0.464 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 174 | -77.8 | -174.1 | -81.1 | 114.3 | 0.8 | 111.7 | D386 S387 N394 | D386-R390 PolarHBondContact O-N 3.09Å; D386-R390 IonicContact OD2-CZ 3.32Å; D386-R390 IonicContact OD2-NE 2.76Å; D386-R390 PolarHBondContact OD2-NE 3.17Å; D386-R390 IonicContact OD2-NH2 2.76Å; D386-R390 PolarHBondContact OD2-NH2 3.16Å; S387-R390 PolarHBondContact O-N 3.26Å; S387-R390 PolarHBondContact OG-NH2 3.07Å; R390-N394 WeakPolarHBondContact O-CB 3.46Å; R390-N394 PolarHBondContact O-N 3.12Å; R390-N394 PolarHBondContact O-ND2 3.04Å |
| 391 | R | 97.8 | Very high | 91.2 | Very high | 148 Ų | 148 | 103.9 Ų | 103.9 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.8 | -49.7 | 176.2 | -173.3 | 176.9 | -174.7 | -84.4 | -5.1 | 111.7 | S387 E388 R389 N394 I395 | S387-R391 WeakPolarHBondContact O-CB 3.47Å; S387-R391 PolarHBondContact O-N 3.07Å; E388-R391 WeakPolarHBondContact O-CB 3.44Å; E388-R391 PolarHBondContact O-N 3.11Å; E388-R391 IonicContact OE1-NH1 2.73Å; R389-R391 VanDerWaalsContact C-N 3.31Å; R389-R391 PolarHBondContact O-N 3.45Å; R391-N394 PolarHBondContact O-N 3.13Å; R391-I395 HydrophobicContact CG-CD1 4.11Å; R391-I395 WeakPolarHBondContact O-CG1 3.43Å; R391-I395 PolarHBondContact O-N 3.05Å |
| 392 | N | 98 | Very high | 93.2 | Very high | 75 Ų | 75 | 103.3 Ų | 103.3 | 40% | 0.401 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.3 | -76.5 | -79.2 | 0 | 0 | 0 | 112.3 | E388 R389 N394 I395 L396 | E388-N392 PolarHBondContact O-N 3.34Å; E388-N392 PolarHBondContact O-ND2 3.27Å; E388-N392 PolarHBondContact OE1-ND2 2.76Å; R389-N392 PolarHBondContact O-N 2.97Å; N392-N394 VanDerWaalsContact C-N 3.33Å; N392-N394 PolarHBondContact O-N 3.41Å; N392-I395 PolarHBondContact O-N 3.3Å; N392-I395 VanDerWaalsContact O-N 3.16Å; N392-L396 WeakPolarHBondContact O-CG 3.41Å; N392-L396 PolarHBondContact O-N 3.29Å |
| 393 | H | 98.3 | Very high | 94.9 | Very high | 124 Ų | 124 | 102.7 Ų | 102.7 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.6 | -45.4 | 173.4 | 177.8 | -90.8 | 0 | 0 | 0 | 112.2 | R389 I395 L396 E397 | R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 2.76Å; H393-I395 VanDerWaalsContact C-N 3.33Å; H393-I395 PolarHBondContact O-N 3.02Å; H393-L396 PolarHBondContact O-N 3.02Å; H393-E397 WeakPolarHBondContact O-CB 3.38Å; H393-E397 PolarHBondContact O-N 3.3Å |
| 394 | N | 98.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 101 Ų | 101 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -32 | 177.3 | -83 | -72.7 | 0 | 0 | 0 | 113.6 | R390 R391 N392 R398 | R390-N394 WeakPolarHBondContact O-CB 3.46Å; R390-N394 PolarHBondContact O-N 3.12Å; R390-N394 PolarHBondContact O-ND2 3.04Å; R391-N394 PolarHBondContact O-N 3.13Å; N392-N394 VanDerWaalsContact C-N 3.33Å; N392-N394 PolarHBondContact O-N 3.41Å; N394-R398 VanDerWaalsContact O-CB 3.29Å; N394-R398 WeakPolarHBondContact O-CB 3.36Å; N394-R398 PolarHBondContact O-N 3.24Å |
| 395 | I | 98.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 103.9 Ų | 103.9 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -50.1 | 174.5 | -69.9 | 163.9 | 0 | 0 | 0 | 109.9 | R391 N392 H393 E397 R398 Q399 | R391-I395 HydrophobicContact CG-CD1 4.11Å; R391-I395 WeakPolarHBondContact O-CG1 3.43Å; R391-I395 PolarHBondContact O-N 3.05Å; N392-I395 PolarHBondContact O-N 3.3Å; N392-I395 VanDerWaalsContact O-N 3.16Å; H393-I395 VanDerWaalsContact C-N 3.33Å; H393-I395 PolarHBondContact O-N 3.02Å; I395-E397 PolarHBondContact O-N 3.28Å; I395-R398 WeakPolarHBondContact O-CB 3.29Å; I395-R398 PolarHBondContact O-N 3.03Å; I395-R398 VanDerWaalsContact O-N 3.16Å; I395-Q399 PolarHBondContact O-N 3.38Å |
| 396 | L | 98.4 | Very high | 97.7 | Very high | 122 Ų | 122 | 101.5 Ų | 101.5 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.4 | -45.1 | 179.8 | -67.6 | 172.2 | 0 | 0 | 0 | 112.2 | N392 H393 R398 Q399 R400 | N392-L396 WeakPolarHBondContact O-CG 3.41Å; N392-L396 PolarHBondContact O-N 3.29Å; H393-L396 PolarHBondContact O-N 3.02Å; L396-R398 VanDerWaalsContact C-N 3.28Å; L396-R398 PolarHBondContact O-N 3.38Å; L396-Q399 WeakPolarHBondContact O-CB 3.2Å; L396-Q399 PolarHBondContact O-N 2.93Å; L396-R400 WeakPolarHBondContact O-CB 3.32Å; L396-R400 PolarHBondContact O-N 3.47Å |
| 397 | E | 98.6 | Very high | 98 | Very high | 48 Ų | 48 | 101.4 Ų | 101.4 | 22% | 0.224 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -73.4 | -18.6 | 177.9 | 177.6 | 49.5 | -151.7 | 0 | 0 | 112.8 | H393 I395 R400 R401 | H393-E397 WeakPolarHBondContact O-CB 3.38Å; H393-E397 PolarHBondContact O-N 3.3Å; I395-E397 PolarHBondContact O-N 3.28Å; E397-R400 IonicContact OE1-NH1 2.69Å; E397-R400 PolarHBondContact OE1-NH1 3.01Å; E397-R400 VanDerWaalsContact OE1-NH1 3.17Å; E397-R400 WeakPolarHBondContact OE2-CD 3.37Å; E397-R400 IonicContact OE2-CZ 2.73Å; E397-R400 IonicContact OE2-NE 2.64Å; E397-R400 IonicContact OE2-NH1 3.6Å; E397-R400 PolarHBondContact OE2-NH1 2.99Å; E397-R401 WeakPolarHBondContact O-CB 3.15Å; E397-R401 VanDerWaalsContact O-CG 3.31Å; E397-R401 WeakPolarHBondContact O-CG 3.34Å; E397-R401 PolarHBondContact O-N 3.17Å; E397-R401 PolarHBondContact O-NE 3.42Å; E397-R401 VanDerWaalsContact OE1-CD 3.31Å; E397-R401 WeakPolarHBondContact OE1-CD 3.13Å; E397-R401 VanDerWaalsContact OE1-CG 3.31Å; E397-R401 WeakPolarHBondContact OE1-CG 3.09Å; E397-R401 IonicContact OE1-CZ 2.7Å; E397-R401 IonicContact OE1-NE 3.72Å; E397-R401 PolarHBondContact OE1-NE 3.28Å; E397-R401 VanDerWaalsContact OE1-NE 3.15Å |
| 398 | R | 98.7 | Very high | 98.2 | Very high | 168 Ų | 168 | 101.1 Ų | 101.1 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -74.8 | -43.2 | 166.2 | -177.7 | 179.4 | -65.7 | 170.5 | -0.6 | 110.9 | N394 I395 L396 R401 N402 | N394-R398 VanDerWaalsContact O-CB 3.29Å; N394-R398 WeakPolarHBondContact O-CB 3.36Å; N394-R398 PolarHBondContact O-N 3.24Å; I395-R398 WeakPolarHBondContact O-CB 3.29Å; I395-R398 PolarHBondContact O-N 3.03Å; I395-R398 VanDerWaalsContact O-N 3.16Å; L396-R398 VanDerWaalsContact C-N 3.28Å; L396-R398 PolarHBondContact O-N 3.38Å; R398-R401 PolarHBondContact O-N 3.12Å; R398-N402 VanDerWaalsContact O-CG 3.29Å; R398-N402 PolarHBondContact O-N 3.33Å; R398-N402 PolarHBondContact O-OD1 3.47Å |
| 399 | Q | 98.8 | Very high | 98.3 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.3 | -54 | 176.9 | -172.1 | 58.7 | 43 | 0 | 0 | 110.4 | I395 L396 R401 N402 D403 | I395-Q399 PolarHBondContact O-N 3.38Å; L396-Q399 WeakPolarHBondContact O-CB 3.2Å; L396-Q399 PolarHBondContact O-N 2.93Å; Q399-R401 VanDerWaalsContact C-N 3.26Å; Q399-R401 PolarHBondContact O-N 2.97Å; Q399-R401 VanDerWaalsContact O-N 3.17Å; Q399-N402 CarbonylContact O-C 3.58Å; Q399-N402 WeakPolarHBondContact O-CA 3.45Å; Q399-N402 WeakPolarHBondContact O-CB 3.44Å; Q399-N402 PolarHBondContact O-N 2.97Å; Q399-D403 PolarHBondContact NE2-OD1 3.2Å; Q399-D403 VanDerWaalsContact O-CG 3.23Å; Q399-D403 PolarHBondContact O-N 3.4Å |
| 400 | R | 98.8 | Very high | 98.4 | Very high | 145 Ų | 145 | 96.1 Ų | 96.1 | 55% | 0.547 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -51.6 | -41.6 | 174.6 | 177.2 | 175.3 | 165.7 | -82.2 | -8.8 | 113.1 | L396 E397 N402 L404 | L396-R400 WeakPolarHBondContact O-CB 3.32Å; L396-R400 PolarHBondContact O-N 3.47Å; E397-R400 IonicContact OE1-NH1 2.69Å; E397-R400 PolarHBondContact OE1-NH1 3.01Å; E397-R400 VanDerWaalsContact OE1-NH1 3.17Å; E397-R400 WeakPolarHBondContact OE2-CD 3.37Å; E397-R400 IonicContact OE2-CZ 2.73Å; E397-R400 IonicContact OE2-NE 2.64Å; E397-R400 IonicContact OE2-NH1 3.6Å; E397-R400 PolarHBondContact OE2-NH1 2.99Å; R400-N402 VanDerWaalsContact C-N 3.34Å; R400-L404 VanDerWaalsContact O-CB 3.29Å; R400-L404 WeakPolarHBondContact O-CB 3.47Å; R400-L404 PolarHBondContact O-N 3.42Å |
| 401 | R | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 93.2 Ų | 93.2 | 43% | 0.426 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.9 | -23.8 | 176.3 | -79 | -176.6 | -77.1 | -179.2 | -9.9 | 113.7 | E397 R398 Q399 R405 | E397-R401 WeakPolarHBondContact O-CB 3.15Å; E397-R401 VanDerWaalsContact O-CG 3.31Å; E397-R401 WeakPolarHBondContact O-CG 3.34Å; E397-R401 PolarHBondContact O-N 3.17Å; E397-R401 PolarHBondContact O-NE 3.42Å; E397-R401 VanDerWaalsContact OE1-CD 3.31Å; E397-R401 WeakPolarHBondContact OE1-CD 3.13Å; E397-R401 VanDerWaalsContact OE1-CG 3.31Å; E397-R401 WeakPolarHBondContact OE1-CG 3.09Å; E397-R401 IonicContact OE1-CZ 2.7Å; E397-R401 IonicContact OE1-NE 3.72Å; E397-R401 PolarHBondContact OE1-NE 3.28Å; E397-R401 VanDerWaalsContact OE1-NE 3.15Å; R398-R401 PolarHBondContact O-N 3.12Å; Q399-R401 VanDerWaalsContact C-N 3.26Å; Q399-R401 PolarHBondContact O-N 2.97Å; Q399-R401 VanDerWaalsContact O-N 3.17Å; R401-R405 VanDerWaalsContact O-CG 3.28Å; R401-R405 WeakPolarHBondContact O-CG 3.42Å; R401-R405 PolarHBondContact O-N 2.96Å; R401-R405 PolarHBondContact O-NH1 3.4Å |
| 402 | N | 98.7 | Very high | 98.5 | Very high | 68 Ų | 68 | 87.4 Ų | 87.4 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -78.9 | -47.1 | 172.6 | -69 | -12.2 | 0 | 0 | 0 | 110.4 | R398 Q399 R400 L404 R405 S406 | R398-N402 VanDerWaalsContact O-CG 3.29Å; R398-N402 PolarHBondContact O-N 3.33Å; R398-N402 PolarHBondContact O-OD1 3.47Å; Q399-N402 CarbonylContact O-C 3.58Å; Q399-N402 WeakPolarHBondContact O-CA 3.45Å; Q399-N402 WeakPolarHBondContact O-CB 3.44Å; Q399-N402 PolarHBondContact O-N 2.97Å; R400-N402 VanDerWaalsContact C-N 3.34Å; N402-L404 VanDerWaalsContact C-N 3.32Å; N402-L404 PolarHBondContact O-N 3.26Å; N402-R405 WeakPolarHBondContact O-CA 3.41Å; N402-R405 WeakPolarHBondContact O-CB 3.42Å; N402-R405 PolarHBondContact O-N 3.06Å; N402-R405 PolarHBondContact OD1-NH1 3.32Å; N402-R405 VanDerWaalsContact OD1-NH1 3.11Å; N402-S406 PolarHBondContact O-N 3.22Å; N402-S406 PolarHBondContact O-OG 3.15Å |
| 403 | D | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 87.7 Ų | 87.7 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 177.1 | -54 | -30.6 | 0 | 0 | 0 | 110.6 | Q399 R405 S406 S407 | Q399-D403 PolarHBondContact NE2-OD1 3.2Å; Q399-D403 VanDerWaalsContact O-CG 3.23Å; Q399-D403 PolarHBondContact O-N 3.4Å; D403-R405 VanDerWaalsContact C-N 3.31Å; D403-R405 PolarHBondContact O-N 2.9Å; D403-S406 WeakPolarHBondContact O-CB 3.48Å; D403-S406 PolarHBondContact O-N 2.83Å; D403-S406 VanDerWaalsContact O-N 3.11Å; D403-S407 PolarHBondContact O-N 2.89Å; D403-S407 PolarHBondContact O-OG 3.37Å |
| 404 | L | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 88 Ų | 88 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 174.6 | -177.3 | 62.3 | 0 | 0 | 0 | 112.8 | R400 N402 S407 F408 | R400-L404 VanDerWaalsContact O-CB 3.29Å; R400-L404 WeakPolarHBondContact O-CB 3.47Å; R400-L404 PolarHBondContact O-N 3.42Å; N402-L404 VanDerWaalsContact C-N 3.32Å; N402-L404 PolarHBondContact O-N 3.26Å; L404-S407 PolarHBondContact O-N 3.49Å; L404-F408 HydrophobicContact CD1-CD2 4.09Å; L404-F408 HydrophobicContact CD1-CE2 3.91Å; L404-F408 HydrophobicContact CG-CD2 4.13Å; L404-F408 HydrophobicContact CG-CE2 4.14Å; L404-F408 VanDerWaalsContact O-CD2 3.31Å; L404-F408 WeakPolarHBondContact O-CD2 3.37Å; L404-F408 PolarHBondContact O-N 3.01Å; L404-F408 VanDerWaalsContact O-N 3.1Å |
| 405 | R | 98.2 | Very high | 98.5 | Very high | 126 Ų | 126 | 83.8 Ų | 83.8 | 48% | 0.475 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 174.7 | -78.1 | 177.9 | -167.6 | 105.4 | -9.7 | 111.1 | R401 N402 D403 S407 F408 L409 | R401-R405 VanDerWaalsContact O-CG 3.28Å; R401-R405 WeakPolarHBondContact O-CG 3.42Å; R401-R405 PolarHBondContact O-N 2.96Å; R401-R405 PolarHBondContact O-NH1 3.4Å; N402-R405 WeakPolarHBondContact O-CA 3.41Å; N402-R405 WeakPolarHBondContact O-CB 3.42Å; N402-R405 PolarHBondContact O-N 3.06Å; N402-R405 PolarHBondContact OD1-NH1 3.32Å; N402-R405 VanDerWaalsContact OD1-NH1 3.11Å; D403-R405 VanDerWaalsContact C-N 3.31Å; D403-R405 PolarHBondContact O-N 2.9Å; R405-S407 VanDerWaalsContact C-N 3.35Å; R405-S407 PolarHBondContact O-N 3.12Å; R405-F408 PolarHBondContact O-N 3.41Å; R405-L409 WeakPolarHBondContact O-CG 3.44Å; R405-L409 PolarHBondContact O-N 2.88Å |
| 406 | S | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 83.7 Ų | 83.7 | 46% | 0.462 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 175 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | N402 D403 F408 L409 T410 | N402-S406 PolarHBondContact O-N 3.22Å; N402-S406 PolarHBondContact O-OG 3.15Å; D403-S406 WeakPolarHBondContact O-CB 3.48Å; D403-S406 PolarHBondContact O-N 2.83Å; D403-S406 VanDerWaalsContact O-N 3.11Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 3.28Å; S406-L409 PolarHBondContact O-N 3.28Å; S406-L409 VanDerWaalsContact O-N 3.12Å; S406-T410 PolarHBondContact O-N 2.91Å; S406-T410 PolarHBondContact O-OG1 3.42Å |
| 407 | S | 98.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 83 Ų | 83 | 51% | 0.51 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.3 | -41.1 | 175 | -54.3 | 0 | 0 | 0 | 0 | 113.1 | D403 L404 R405 T410 L411 | D403-S407 PolarHBondContact O-N 2.89Å; D403-S407 PolarHBondContact O-OG 3.37Å; L404-S407 PolarHBondContact O-N 3.49Å; R405-S407 VanDerWaalsContact C-N 3.35Å; R405-S407 PolarHBondContact O-N 3.12Å; S407-T410 PolarHBondContact O-N 3.1Å; S407-L411 WeakPolarHBondContact O-CB 3.14Å; S407-L411 PolarHBondContact O-N 3.02Å |
| 408 | F | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 80.9 Ų | 80.9 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 175.1 | -93.4 | -75.7 | 0 | 0 | 0 | 113.1 | L404 R405 S406 R412 K426 I429 L430 | L404-F408 HydrophobicContact CD1-CD2 4.09Å; L404-F408 HydrophobicContact CD1-CE2 3.91Å; L404-F408 HydrophobicContact CG-CD2 4.13Å; L404-F408 HydrophobicContact CG-CE2 4.14Å; L404-F408 VanDerWaalsContact O-CD2 3.31Å; L404-F408 WeakPolarHBondContact O-CD2 3.37Å; L404-F408 PolarHBondContact O-N 3.01Å; L404-F408 VanDerWaalsContact O-N 3.1Å; R405-F408 PolarHBondContact O-N 3.41Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 3.28Å; F408-R412 WeakPolarHBondContact O-CB 3.34Å; F408-R412 PolarHBondContact O-N 3.24Å; F408-K426 HydrophobicContact CD1-CB 4.22Å; F408-K426 HydrophobicContact CD1-CG 4.08Å; F408-K426 HydrophobicContact CD2-CD 4.17Å; F408-K426 HydrophobicContact CD2-CG 4.48Å; F408-K426 HydrophobicContact CE1-CB 3.8Å; F408-K426 HydrophobicContact CE1-CD 4.37Å; F408-K426 HydrophobicContact CE1-CG 4.06Å; F408-K426 HydrophobicContact CE2-CD 3.98Å; F408-K426 HydrophobicContact CE2-CG 4.49Å; F408-K426 HydrophobicContact CG-CD 4.47Å; F408-K426 HydrophobicContact CG-CG 4.3Å; F408-K426 HydrophobicContact CZ-CB 4.12Å; F408-K426 HydrophobicContact CZ-CD 4.09Å; F408-K426 HydrophobicContact CZ-CG 4.29Å; F408-I429 HydrophobicContact CD1-CB 4.39Å; F408-I429 HydrophobicContact CD1-CD1 4.3Å; F408-I429 HydrophobicContact CD1-CG2 4.2Å; F408-L430 HydrophobicContact CE1-CD1 4.32Å; F408-L430 HydrophobicContact CE1-CD2 3.95Å; F408-L430 HydrophobicContact CE1-CG 3.94Å; F408-L430 HydrophobicContact CZ-CD1 4.33Å; F408-L430 HydrophobicContact CZ-CD2 4.33Å; F408-L430 HydrophobicContact CZ-CG 4.4Å |
| 409 | L | 98.3 | Very high | 98.3 | Very high | 82 Ų | 82 | 75 Ų | 75 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -47 | 175.4 | -67.5 | 170.4 | 0 | 0 | 0 | 110.7 | R405 S406 L411 R412 D413 | R405-L409 WeakPolarHBondContact O-CG 3.44Å; R405-L409 PolarHBondContact O-N 2.88Å; S406-L409 PolarHBondContact O-N 3.28Å; S406-L409 VanDerWaalsContact O-N 3.12Å; L409-L411 VanDerWaalsContact C-N 3.32Å; L409-L411 PolarHBondContact O-N 3.23Å; L409-R412 VanDerWaalsContact CD2-NH1 3.34Å; L409-R412 WeakPolarHBondContact O-CB 3.41Å; L409-R412 PolarHBondContact O-N 2.91Å; L409-D413 PolarHBondContact O-N 3.05Å |
| 410 | T | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 77.6 Ų | 77.6 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58 | -43.7 | 174.5 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | S406 S407 D413 H414 | S406-T410 PolarHBondContact O-N 2.91Å; S406-T410 PolarHBondContact O-OG1 3.42Å; S407-T410 PolarHBondContact O-N 3.1Å; T410-D413 PolarHBondContact O-N 3.12Å; T410-H414 PolarHBondContact O-N 3.31Å; T410-H414 PolarHBondContact O-ND1 3.3Å |
| 411 | L | 98.6 | Very high | 98 | Very high | 62 Ų | 62 | 73.6 Ų | 73.6 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 176.9 | -179.5 | 59.3 | 0 | 0 | 0 | 111.8 | S407 L409 D413 H414 V415 I429 L430 A433 | S407-L411 WeakPolarHBondContact O-CB 3.14Å; S407-L411 PolarHBondContact O-N 3.02Å; L409-L411 VanDerWaalsContact C-N 3.32Å; L409-L411 PolarHBondContact O-N 3.23Å; L411-D413 PolarHBondContact O-N 3.05Å; L411-H414 PolarHBondContact O-N 3.41Å; L411-H414 VanDerWaalsContact O-N 3.12Å; L411-V415 PolarHBondContact O-N 3.16Å; L411-I429 HydrophobicContact CB-CG2 4.24Å; L411-I429 HydrophobicContact CD2-CG2 3.91Å; L411-I429 HydrophobicContact CG-CG2 3.89Å; L411-L430 HydrophobicContact CD2-CD2 4.15Å; L411-A433 HydrophobicContact CD1-CB 3.92Å; L411-A433 HydrophobicContact CD2-CB 4.18Å; L411-A433 HydrophobicContact CG-CB 4.16Å |
| 412 | R | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 75.7 Ų | 75.7 | 10% | 0.098 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.8 | -42.9 | 175.3 | 179.1 | -154.7 | 65.2 | -170.1 | 6.3 | 111.8 | F408 L409 H414 V415 L418 N421 E422 I429 | F408-R412 WeakPolarHBondContact O-CB 3.34Å; F408-R412 PolarHBondContact O-N 3.24Å; L409-R412 VanDerWaalsContact CD2-NH1 3.34Å; L409-R412 WeakPolarHBondContact O-CB 3.41Å; L409-R412 PolarHBondContact O-N 2.91Å; R412-H414 PolarHBondContact O-N 3.24Å; R412-V415 PolarHBondContact O-N 3.29Å; R412-V415 VanDerWaalsContact O-N 3.08Å; R412-L418 HydrophobicContact CG-CB 3.86Å; R412-L418 WeakPolarHBondContact CG-O 3.39Å; R412-N421 WeakPolarHBondContact CD-O 3.5Å; R412-E422 PolarHBondContact NH1-O 3.46Å; R412-I429 HydrophobicContact CB-CD1 4.03Å; R412-I429 HydrophobicContact CB-CG1 4.13Å; R412-I429 HydrophobicContact CB-CG2 4.25Å; R412-I429 HydrophobicContact CG-CD1 4.4Å; R412-I429 HydrophobicContact CG-CG1 4.34Å |
| 413 | D | 98.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 81.7 Ų | 81.7 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.9 | -19.2 | -176.5 | -62.6 | -15.7 | 0 | 0 | 0 | 113.2 | L409 T410 L411 | L409-D413 PolarHBondContact O-N 3.05Å; T410-D413 PolarHBondContact O-N 3.12Å; L411-D413 PolarHBondContact O-N 3.05Å |
| 414 | H | 98.1 | Very high | 97.7 | Very high | 130 Ų | 130 | 78.7 Ų | 78.7 | 60% | 0.602 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -87.5 | -12.1 | 172.8 | -69.8 | 75.1 | 0 | 0 | 0 | 113.5 | T410 L411 R412 P416 Y436 | T410-H414 PolarHBondContact O-N 3.31Å; T410-H414 PolarHBondContact O-ND1 3.3Å; L411-H414 PolarHBondContact O-N 3.41Å; L411-H414 VanDerWaalsContact O-N 3.12Å; R412-H414 PolarHBondContact O-N 3.24Å; H414-P416 WeakPolarHBondContact O-CD 2.9Å; H414-Y436 VanDerWaalsContact O-CE1 3.32Å; H414-Y436 WeakPolarHBondContact O-CE1 3.46Å |
| 415 | V | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.03 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -94.6 | 109.6 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | L411 R412 E417 L418 A419 K432 A433 | L411-V415 PolarHBondContact O-N 3.16Å; R412-V415 PolarHBondContact O-N 3.29Å; R412-V415 VanDerWaalsContact O-N 3.08Å; V415-E417 VanDerWaalsContact C-N 3.3Å; V415-E417 PolarHBondContact O-N 3.29Å; V415-L418 HydrophobicContact CB-CB 4.25Å; V415-L418 HydrophobicContact CG1-CB 4.1Å; V415-L418 HydrophobicContact CG1-CD1 4.16Å; V415-L418 HydrophobicContact CG1-CG 3.94Å; V415-L418 PolarHBondContact O-N 2.93Å; V415-A419 PolarHBondContact O-N 2.99Å; V415-K432 HydrophobicContact CG1-CB 3.83Å; V415-A433 HydrophobicContact CG2-CB 3.89Å |
| 416 | P | 97.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 76.8 Ų | 76.8 | 49% | 0.494 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -38.6 | -169.1 | -27.8 | 36 | 0 | 0 | 0 | 114.3 | H414 L418 Y436 | H414-P416 WeakPolarHBondContact O-CD 2.9Å; P416-L418 VanDerWaalsContact C-N 3.26Å; P416-L418 PolarHBondContact O-N 3.11Å; P416-Y436 HydrophobicContact CG-CD2 4.45Å; P416-Y436 HydrophobicContact CG-CE1 4.23Å; P416-Y436 HydrophobicContact CG-CE2 3.79Å |
| 417 | E | 97.1 | Very high | 97.7 | Very high | 109 Ų | 109 | 79 Ų | 79 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -27.2 | 178 | -164 | -171.4 | 145.5 | 0 | 0 | 113 | V415 H420 K432 | V415-E417 VanDerWaalsContact C-N 3.3Å; V415-E417 PolarHBondContact O-N 3.29Å; E417-H420 PolarHBondContact O-CE1 2.93Å; E417-K432 VanDerWaalsContact CD-CE 3.48Å; E417-K432 WeakPolarHBondContact OE1-CE 3.15Å; E417-K432 IonicContact OE1-NZ 2.73Å; E417-K432 PolarHBondContact OE1-NZ 3.38Å; E417-K432 WeakPolarHBondContact OE2-CD 3.28Å; E417-K432 WeakPolarHBondContact OE2-CE 3.31Å; E417-K432 IonicContact OE2-NZ 3.04Å; E417-K432 PolarHBondContact OE2-NZ 3.01Å |
| 418 | L | 97.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.016 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -12.6 | -174 | -61.1 | -174.3 | 0 | 0 | 0 | 114.4 | R412 V415 P416 H420 N421 A424 L428 I429 K432 | R412-L418 HydrophobicContact CG-CB 3.86Å; R412-L418 WeakPolarHBondContact CG-O 3.39Å; V415-L418 HydrophobicContact CB-CB 4.25Å; V415-L418 HydrophobicContact CG1-CB 4.1Å; V415-L418 HydrophobicContact CG1-CD1 4.16Å; V415-L418 HydrophobicContact CG1-CG 3.94Å; V415-L418 PolarHBondContact O-N 2.93Å; P416-L418 VanDerWaalsContact C-N 3.26Å; P416-L418 PolarHBondContact O-N 3.11Å; L418-H420 PolarHBondContact O-N 3.2Å; L418-H420 VanDerWaalsContact O-N 3.13Å; L418-N421 PolarHBondContact O-N 3.47Å; L418-A424 HydrophobicContact CD1-CB 4.36Å; L418-A424 HydrophobicContact CD2-CB 4.26Å; L418-L428 HydrophobicContact CD1-CG 4.42Å; L418-L428 HydrophobicContact CD2-CD2 4.07Å; L418-L428 HydrophobicContact CD2-CG 4.32Å; L418-I429 HydrophobicContact CD1-CB 4.36Å; L418-I429 HydrophobicContact CD1-CG1 4.04Å; L418-K432 HydrophobicContact CD1-CB 3.68Å; L418-K432 HydrophobicContact CD1-CG 3.98Å; L418-K432 HydrophobicContact CD2-CG 4.43Å; L418-K432 HydrophobicContact CG-CB 4.15Å; L418-K432 HydrophobicContact CG-CG 4.24Å |
| 419 | A | 96.9 | Very high | 97.7 | Very high | 44 Ų | 44 | 77.2 Ų | 77.2 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V415 | V415-A419 PolarHBondContact O-N 2.99Š|
| 420 | H | 95.6 | Very high | 97.7 | Very high | 156 Ų | 156 | 77.5 Ų | 77.5 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -7.1 | 174.5 | 53.3 | 31.8 | 0 | 0 | 0 | 114.9 | E417 L418 E422 | E417-H420 PolarHBondContact O-CE1 2.93Å; L418-H420 PolarHBondContact O-N 3.2Å; L418-H420 VanDerWaalsContact O-N 3.13Å; H420-E422 PolarHBondContact O-N 3.32Å |
| 421 | N | 96.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 80.1 Ų | 80.1 | 33% | 0.326 | 41% | 0.41 | S | S | . | . | trans | -92.9 | 83.3 | -179.6 | -175.3 | -4.9 | 0 | 0 | 0 | 110.9 | R412 L418 K423 A424 | R412-N421 WeakPolarHBondContact CD-O 3.5Å; L418-N421 PolarHBondContact O-N 3.47Å; N421-K423 PolarHBondContact O-N 3.5Å; N421-K423 PolarHBondContact OD1-N 2.99Å; N421-A424 HydrophobicContact CB-CB 4.37Å; N421-A424 PolarHBondContact O-N 3.34Å; N421-A424 VanDerWaalsContact O-N 3.15Å; N421-A424 PolarHBondContact OD1-N 3.38Å | ||
| 422 | E | 95.1 | Very high | 97.7 | Very high | 157 Ų | 157 | 79 Ų | 79 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.6 | -175.8 | -70.3 | -162.6 | 158.9 | 0 | 0 | 114.8 | R412 H420 | R412-E422 PolarHBondContact NH1-O 3.46Å; H420-E422 PolarHBondContact O-N 3.32Å |
| 423 | K | 96.1 | Very high | 97.7 | Very high | 193 Ų | 193 | 78.3 Ų | 78.3 | 84% | 0.839 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 12.4 | -174 | -62.1 | 179.4 | -177.6 | 173.9 | 0 | 113.6 | N421 A425 | N421-K423 PolarHBondContact O-N 3.5Å; N421-K423 PolarHBondContact OD1-N 2.99Å; K423-A425 PolarHBondContact O-N 2.75Å |
| 424 | A | 97.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 78.8 Ų | 78.8 | 12% | 0.124 | 41% | 0.409 | C | S | . | . | trans | -51.3 | 130.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L418 N421 I429 | L418-A424 HydrophobicContact CD1-CB 4.36Å; L418-A424 HydrophobicContact CD2-CB 4.26Å; N421-A424 HydrophobicContact CB-CB 4.37Å; N421-A424 PolarHBondContact O-N 3.34Å; N421-A424 VanDerWaalsContact O-N 3.15Å; N421-A424 PolarHBondContact OD1-N 3.38Å; A424-I429 HydrophobicContact CB-CD1 4.16Å; A424-I429 HydrophobicContact CB-CG1 3.82Å | ||
| 425 | A | 98.3 | Very high | 97.8 | Very high | 54 Ų | 54 | 76.2 Ų | 76.2 | 45% | 0.446 | 40% | 0.397 | S | S | . | . | trans | -66.1 | 147.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K423 V427 L428 I429 | K423-A425 PolarHBondContact O-N 2.75Å; A425-V427 VanDerWaalsContact C-N 3.28Å; A425-V427 HydrophobicContact CB-CG1 4.36Å; A425-V427 PolarHBondContact O-N 3.48Å; A425-L428 HydrophobicContact CB-CB 4.27Å; A425-L428 WeakPolarHBondContact O-CA 3.43Å; A425-L428 WeakPolarHBondContact O-CB 3.46Å; A425-L428 PolarHBondContact O-N 3.11Å; A425-I429 WeakPolarHBondContact O-CG1 3.39Å; A425-I429 PolarHBondContact O-N 2.87Å | ||
| 426 | K | 98.4 | Very high | 97.8 | Very high | 103 Ų | 103 | 80 Ų | 80 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.5 | -40.7 | -178.8 | -69.7 | -173.3 | 177 | -171.4 | 0 | 113.4 | F408 L428 I429 L430 | F408-K426 HydrophobicContact CD1-CB 4.22Å; F408-K426 HydrophobicContact CD1-CG 4.08Å; F408-K426 HydrophobicContact CD2-CD 4.17Å; F408-K426 HydrophobicContact CD2-CG 4.48Å; F408-K426 HydrophobicContact CE1-CB 3.8Å; F408-K426 HydrophobicContact CE1-CD 4.37Å; F408-K426 HydrophobicContact CE1-CG 4.06Å; F408-K426 HydrophobicContact CE2-CD 3.98Å; F408-K426 HydrophobicContact CE2-CG 4.49Å; F408-K426 HydrophobicContact CG-CD 4.47Å; F408-K426 HydrophobicContact CG-CG 4.3Å; F408-K426 HydrophobicContact CZ-CB 4.12Å; F408-K426 HydrophobicContact CZ-CD 4.09Å; F408-K426 HydrophobicContact CZ-CG 4.29Å; K426-L428 VanDerWaalsContact C-N 3.34Å; K426-I429 PolarHBondContact O-N 2.84Å; K426-L430 WeakPolarHBondContact O-CG 3.39Å; K426-L430 PolarHBondContact O-N 3.17Å; K426-L430 VanDerWaalsContact O-N 3.12Å |
| 427 | V | 98.6 | Very high | 97.8 | Very high | 113 Ų | 113 | 79.9 Ų | 79.9 | 69% | 0.685 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 177.4 | 64.9 | 0 | 0 | 0 | 0 | 111.5 | A425 L430 K431 | A425-V427 VanDerWaalsContact C-N 3.28Å; A425-V427 HydrophobicContact CB-CG1 4.36Å; A425-V427 PolarHBondContact O-N 3.48Å; V427-L430 PolarHBondContact O-N 2.9Å; V427-K431 PolarHBondContact O-N 3.28Å |
| 428 | L | 98.4 | Very high | 97.9 | Very high | 64 Ų | 64 | 77.6 Ų | 77.6 | 34% | 0.335 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 175.8 | -174.8 | 66.9 | 0 | 0 | 0 | 111.6 | L418 A425 K426 L430 K431 K432 | L418-L428 HydrophobicContact CD1-CG 4.42Å; L418-L428 HydrophobicContact CD2-CD2 4.07Å; L418-L428 HydrophobicContact CD2-CG 4.32Å; A425-L428 HydrophobicContact CB-CB 4.27Å; A425-L428 WeakPolarHBondContact O-CA 3.43Å; A425-L428 WeakPolarHBondContact O-CB 3.46Å; A425-L428 PolarHBondContact O-N 3.11Å; K426-L428 VanDerWaalsContact C-N 3.34Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.31Å; L428-K431 PolarHBondContact O-N 2.98Å; L428-K432 HydrophobicContact CD1-CG 3.98Å; L428-K432 HydrophobicContact CG-CG 4.28Å; L428-K432 WeakPolarHBondContact O-CB 3.34Å; L428-K432 WeakPolarHBondContact O-CG 3.47Å; L428-K432 PolarHBondContact O-N 3.01Å |
| 429 | I | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 80.4 Ų | 80.4 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.1 | -64 | 164.2 | 0 | 0 | 0 | 110.7 | F408 L411 R412 L418 A424 A425 K426 A433 | F408-I429 HydrophobicContact CD1-CB 4.39Å; F408-I429 HydrophobicContact CD1-CD1 4.3Å; F408-I429 HydrophobicContact CD1-CG2 4.2Å; L411-I429 HydrophobicContact CB-CG2 4.24Å; L411-I429 HydrophobicContact CD2-CG2 3.91Å; L411-I429 HydrophobicContact CG-CG2 3.89Å; R412-I429 HydrophobicContact CB-CD1 4.03Å; R412-I429 HydrophobicContact CB-CG1 4.13Å; R412-I429 HydrophobicContact CB-CG2 4.25Å; R412-I429 HydrophobicContact CG-CD1 4.4Å; R412-I429 HydrophobicContact CG-CG1 4.34Å; L418-I429 HydrophobicContact CD1-CB 4.36Å; L418-I429 HydrophobicContact CD1-CG1 4.04Å; A424-I429 HydrophobicContact CB-CD1 4.16Å; A424-I429 HydrophobicContact CB-CG1 3.82Å; A425-I429 WeakPolarHBondContact O-CG1 3.39Å; A425-I429 PolarHBondContact O-N 2.87Å; K426-I429 PolarHBondContact O-N 2.84Å; I429-A433 WeakPolarHBondContact O-CB 3.37Å; I429-A433 PolarHBondContact O-N 3.33Å |
| 430 | L | 98.8 | Very high | 98 | Very high | 88 Ų | 88 | 82.2 Ų | 82.2 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.4 | -50.8 | 176.8 | -64.4 | 175 | 0 | 0 | 0 | 111.8 | F408 L411 K426 V427 L428 K432 A433 T434 | F408-L430 HydrophobicContact CE1-CD1 4.32Å; F408-L430 HydrophobicContact CE1-CD2 3.95Å; F408-L430 HydrophobicContact CE1-CG 3.94Å; F408-L430 HydrophobicContact CZ-CD1 4.33Å; F408-L430 HydrophobicContact CZ-CD2 4.33Å; F408-L430 HydrophobicContact CZ-CG 4.4Å; L411-L430 HydrophobicContact CD2-CD2 4.15Å; K426-L430 WeakPolarHBondContact O-CG 3.39Å; K426-L430 PolarHBondContact O-N 3.17Å; K426-L430 VanDerWaalsContact O-N 3.12Å; V427-L430 PolarHBondContact O-N 2.9Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.31Å; L430-K432 PolarHBondContact O-N 3.43Å; L430-A433 PolarHBondContact O-N 3.19Å; L430-T434 PolarHBondContact O-N 3.18Å; L430-T434 PolarHBondContact O-OG1 3.31Å |
| 431 | K | 98.7 | Very high | 98.2 | Very high | 134 Ų | 134 | 80.1 Ų | 80.1 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -55.7 | -50.7 | 179.5 | 175.9 | 167.1 | 177.7 | 174.5 | 0 | 111.2 | V427 L428 A433 T434 E435 | V427-K431 PolarHBondContact O-N 3.28Å; L428-K431 PolarHBondContact O-N 2.98Å; K431-A433 PolarHBondContact O-N 2.91Å; K431-T434 PolarHBondContact O-N 3.16Å; K431-E435 WeakPolarHBondContact CE-OE1 3.33Å; K431-E435 WeakPolarHBondContact CG-OE1 3.39Å; K431-E435 WeakPolarHBondContact O-CG 3.4Å; K431-E435 PolarHBondContact O-N 3.1Å |
| 432 | K | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 81.5 Ų | 81.5 | 17% | 0.165 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -69.6 | -28.8 | 178.6 | -66.8 | -55.5 | -167.4 | 162.4 | 0 | 114.4 | V415 E417 L418 L428 L430 E435 Y436 | V415-K432 HydrophobicContact CG1-CB 3.83Å; E417-K432 VanDerWaalsContact CD-CE 3.48Å; E417-K432 WeakPolarHBondContact OE1-CE 3.15Å; E417-K432 IonicContact OE1-NZ 2.73Å; E417-K432 PolarHBondContact OE1-NZ 3.38Å; E417-K432 WeakPolarHBondContact OE2-CD 3.28Å; E417-K432 WeakPolarHBondContact OE2-CE 3.31Å; E417-K432 IonicContact OE2-NZ 3.04Å; E417-K432 PolarHBondContact OE2-NZ 3.01Å; L418-K432 HydrophobicContact CD1-CB 3.68Å; L418-K432 HydrophobicContact CD1-CG 3.98Å; L418-K432 HydrophobicContact CD2-CG 4.43Å; L418-K432 HydrophobicContact CG-CB 4.15Å; L418-K432 HydrophobicContact CG-CG 4.24Å; L428-K432 HydrophobicContact CD1-CG 3.98Å; L428-K432 HydrophobicContact CG-CG 4.28Å; L428-K432 WeakPolarHBondContact O-CB 3.34Å; L428-K432 WeakPolarHBondContact O-CG 3.47Å; L428-K432 PolarHBondContact O-N 3.01Å; L430-K432 PolarHBondContact O-N 3.43Å; K432-E435 WeakPolarHBondContact CD-OE2 3.31Å; K432-E435 WeakPolarHBondContact CE-OE2 3.31Å; K432-E435 IonicContact NZ-OE2 3.21Å; K432-E435 PolarHBondContact NZ-OE2 3.49Å; K432-Y436 WeakPolarHBondContact O-CB 3.31Å; K432-Y436 PolarHBondContact O-N 2.97Å |
| 433 | A | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 77.8 Ų | 77.8 | 10% | 0.099 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | L411 V415 I429 L430 K431 Y436 V437 | L411-A433 HydrophobicContact CD1-CB 3.92Å; L411-A433 HydrophobicContact CD2-CB 4.18Å; L411-A433 HydrophobicContact CG-CB 4.16Å; V415-A433 HydrophobicContact CG2-CB 3.89Å; I429-A433 WeakPolarHBondContact O-CB 3.37Å; I429-A433 PolarHBondContact O-N 3.33Å; L430-A433 PolarHBondContact O-N 3.19Å; K431-A433 PolarHBondContact O-N 2.91Å; A433-Y436 PolarHBondContact O-N 2.97Å; A433-V437 WeakPolarHBondContact O-CG2 3.29Å; A433-V437 PolarHBondContact O-N 3.24Å |
| 434 | T | 98.8 | Very high | 98.6 | Very high | 91 Ų | 91 | 75.2 Ų | 75.2 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.2 | -50.4 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | L430 K431 Y436 V437 C438 | L430-T434 PolarHBondContact O-N 3.18Å; L430-T434 PolarHBondContact O-OG1 3.31Å; K431-T434 PolarHBondContact O-N 3.16Å; T434-Y436 VanDerWaalsContact C-N 3.25Å; T434-Y436 PolarHBondContact O-N 3.38Å; T434-V437 PolarHBondContact O-N 3.09Å; T434-V437 VanDerWaalsContact O-N 3.17Å; T434-C438 PolarHBondContact O-N 2.96Å; T434-C438 PolarHBondContact O-SG 3.07Å; T434-C438 VanDerWaalsContact O-SG 3.41Å |
| 435 | E | 98.6 | Very high | 98.7 | Very high | 77 Ų | 77 | 79.9 Ų | 79.9 | 36% | 0.36 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -53 | -44.2 | 174.6 | -73.5 | 170.4 | -149.9 | 0 | 0 | 111.6 | K431 K432 C438 S439 | K431-E435 WeakPolarHBondContact CE-OE1 3.33Å; K431-E435 WeakPolarHBondContact CG-OE1 3.39Å; K431-E435 WeakPolarHBondContact O-CG 3.4Å; K431-E435 PolarHBondContact O-N 3.1Å; K432-E435 WeakPolarHBondContact CD-OE2 3.31Å; K432-E435 WeakPolarHBondContact CE-OE2 3.31Å; K432-E435 IonicContact NZ-OE2 3.21Å; K432-E435 PolarHBondContact NZ-OE2 3.49Å; E435-C438 PolarHBondContact O-N 3.15Å; E435-S439 PolarHBondContact O-N 3.39Å |
| 436 | Y | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 83 Ų | 83 | 33% | 0.325 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 179.9 | -176 | -128 | 0 | 0 | 0 | 112.7 | H414 P416 K432 A433 T434 S439 L440 | H414-Y436 VanDerWaalsContact O-CE1 3.32Å; H414-Y436 WeakPolarHBondContact O-CE1 3.46Å; P416-Y436 HydrophobicContact CG-CD2 4.45Å; P416-Y436 HydrophobicContact CG-CE1 4.23Å; P416-Y436 HydrophobicContact CG-CE2 3.79Å; K432-Y436 WeakPolarHBondContact O-CB 3.31Å; K432-Y436 PolarHBondContact O-N 2.97Å; A433-Y436 PolarHBondContact O-N 2.97Å; T434-Y436 VanDerWaalsContact C-N 3.25Å; T434-Y436 PolarHBondContact O-N 3.38Å; Y436-S439 PolarHBondContact O-N 2.99Å; Y436-S439 PolarHBondContact O-OG 2.95Å; Y436-L440 HydrophobicContact CD1-CD1 4.09Å; Y436-L440 HydrophobicContact CD2-CG 4.34Å; Y436-L440 HydrophobicContact CE1-CD1 3.7Å; Y436-L440 HydrophobicContact CE1-CG 4.44Å; Y436-L440 HydrophobicContact CE2-CD1 4.17Å; Y436-L440 HydrophobicContact CE2-CD2 4.08Å; Y436-L440 HydrophobicContact CE2-CG 4.01Å; Y436-L440 HydrophobicContact CG-CD1 4.48Å; Y436-L440 WeakPolarHBondContact O-CG 3.49Å; Y436-L440 PolarHBondContact O-N 2.89Å |
| 437 | V | 98.7 | Very high | 98.7 | Very high | 74 Ų | 74 | 82.2 Ų | 82.2 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | A433 T434 S439 L440 E441 | A433-V437 WeakPolarHBondContact O-CG2 3.29Å; A433-V437 PolarHBondContact O-N 3.24Å; T434-V437 PolarHBondContact O-N 3.09Å; T434-V437 VanDerWaalsContact O-N 3.17Å; V437-S439 VanDerWaalsContact C-N 3.29Å; V437-S439 PolarHBondContact O-N 2.85Å; V437-L440 WeakPolarHBondContact O-CB 3.47Å; V437-L440 PolarHBondContact O-N 3.45Å; V437-E441 HydrophobicContact CG1-CG 4.42Å; V437-E441 WeakPolarHBondContact O-CG 3.4Å; V437-E441 PolarHBondContact O-N 2.83Å |
| 438 | C | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 80.3 Ų | 80.3 | 42% | 0.419 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 112 | T434 E435 L440 E441 T442 | T434-C438 PolarHBondContact O-N 2.96Å; T434-C438 PolarHBondContact O-SG 3.07Å; T434-C438 VanDerWaalsContact O-SG 3.41Å; E435-C438 PolarHBondContact O-N 3.15Å; C438-L440 VanDerWaalsContact C-N 3.31Å; C438-L440 PolarHBondContact O-N 2.79Å; C438-E441 PolarHBondContact O-N 3.1Å; C438-T442 PolarHBondContact O-N 3.26Å; C438-T442 VanDerWaalsContact O-N 3.1Å; C438-T442 PolarHBondContact O-OG1 2.84Å |
| 439 | S | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 83.1 Ų | 83.1 | 43% | 0.434 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 175.9 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | E435 Y436 V437 E443 | E435-S439 PolarHBondContact O-N 3.39Å; Y436-S439 PolarHBondContact O-N 2.99Å; Y436-S439 PolarHBondContact O-OG 2.95Å; V437-S439 VanDerWaalsContact C-N 3.29Å; V437-S439 PolarHBondContact O-N 2.85Å; S439-E443 WeakPolarHBondContact O-CB 3.29Å; S439-E443 PolarHBondContact O-N 3.17Å |
| 440 | L | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 85.5 Ų | 85.5 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 176.3 | -71.6 | 173.1 | 0 | 0 | 0 | 111.8 | Y436 V437 C438 E443 E444 | Y436-L440 HydrophobicContact CD1-CD1 4.09Å; Y436-L440 HydrophobicContact CD2-CG 4.34Å; Y436-L440 HydrophobicContact CE1-CD1 3.7Å; Y436-L440 HydrophobicContact CE1-CG 4.44Å; Y436-L440 HydrophobicContact CE2-CD1 4.17Å; Y436-L440 HydrophobicContact CE2-CD2 4.08Å; Y436-L440 HydrophobicContact CE2-CG 4.01Å; Y436-L440 HydrophobicContact CG-CD1 4.48Å; Y436-L440 WeakPolarHBondContact O-CG 3.49Å; Y436-L440 PolarHBondContact O-N 2.89Å; V437-L440 WeakPolarHBondContact O-CB 3.47Å; V437-L440 PolarHBondContact O-N 3.45Å; C438-L440 VanDerWaalsContact C-N 3.31Å; C438-L440 PolarHBondContact O-N 2.79Å; L440-E443 PolarHBondContact O-N 3.07Å; L440-E444 WeakPolarHBondContact O-CB 3.47Å; L440-E444 PolarHBondContact O-N 2.97Å |
| 441 | E | 98.8 | Very high | 98.8 | Very high | 113 Ų | 113 | 86.2 Ų | 86.2 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.2 | -70.2 | 170.5 | 159.7 | 0 | 0 | 111.2 | V437 C438 E444 M445 | V437-E441 HydrophobicContact CG1-CG 4.42Å; V437-E441 WeakPolarHBondContact O-CG 3.4Å; V437-E441 PolarHBondContact O-N 2.83Å; C438-E441 PolarHBondContact O-N 3.1Å; E441-E444 PolarHBondContact O-N 3.36Å; E441-M445 PolarHBondContact O-N 3.02Å |
| 442 | T | 98.8 | Very high | 98.8 | Very high | 90 Ų | 90 | 83.3 Ų | 83.3 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 174.7 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | C438 M445 R446 | C438-T442 PolarHBondContact O-N 3.26Å; C438-T442 VanDerWaalsContact O-N 3.1Å; C438-T442 PolarHBondContact O-OG1 2.84Å; T442-M445 PolarHBondContact O-N 2.79Å; T442-R446 WeakPolarHBondContact O-CB 3.48Å; T442-R446 PolarHBondContact O-N 3.31Å |
| 443 | E | 98.7 | Very high | 98.8 | Very high | 78 Ų | 78 | 89.2 Ų | 89.2 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 177.9 | 178.3 | 60.9 | -171.9 | 0 | 0 | 112.1 | S439 L440 R446 L447 | S439-E443 WeakPolarHBondContact O-CB 3.29Å; S439-E443 PolarHBondContact O-N 3.17Å; L440-E443 PolarHBondContact O-N 3.07Å; E443-R446 VanDerWaalsContact CD-NH2 3.35Å; E443-R446 PolarHBondContact O-N 3.43Å; E443-R446 IonicContact OE1-CZ 3.15Å; E443-R446 IonicContact OE1-NE 3.8Å; E443-R446 IonicContact OE1-NH2 2.72Å; E443-R446 PolarHBondContact OE1-NH2 3.39Å; E443-R446 IonicContact OE2-CZ 3.74Å; E443-R446 IonicContact OE2-NE 3.25Å; E443-R446 PolarHBondContact OE2-NE 2.78Å; E443-R446 IonicContact OE2-NH2 3.81Å; E443-R446 PolarHBondContact OE2-NH2 2.78Å; E443-L447 HydrophobicContact CG-CD1 3.99Å; E443-L447 HydrophobicContact CG-CG 4.41Å; E443-L447 WeakPolarHBondContact O-CB 3.34Å; E443-L447 VanDerWaalsContact O-CG 3.25Å; E443-L447 WeakPolarHBondContact O-CG 3.49Å; E443-L447 PolarHBondContact O-N 3.16Å |
| 444 | E | 98.8 | Very high | 98.8 | Very high | 140 Ų | 140 | 92.6 Ų | 92.6 | 65% | 0.654 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.2 | -48.4 | 172.8 | 178.9 | 169 | -152.9 | 0 | 0 | 111 | L440 E441 R446 L447 Q448 | L440-E444 WeakPolarHBondContact O-CB 3.47Å; L440-E444 PolarHBondContact O-N 2.97Å; E441-E444 PolarHBondContact O-N 3.36Å; E444-R446 PolarHBondContact O-N 2.9Å; E444-L447 PolarHBondContact O-N 3.01Å; E444-Q448 VanDerWaalsContact O-CB 3.29Å; E444-Q448 WeakPolarHBondContact O-CB 3.35Å; E444-Q448 PolarHBondContact O-N 2.89Å |
| 445 | M | 98.8 | Very high | 98.8 | Very high | 112 Ų | 112 | 92.3 Ų | 92.3 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.1 | -47.6 | 175.3 | -179.2 | 179.7 | 66.2 | 0 | 0 | 111.4 | E441 T442 L447 Q448 Q449 | E441-M445 PolarHBondContact O-N 3.02Å; T442-M445 PolarHBondContact O-N 2.79Å; M445-L447 PolarHBondContact O-N 3.43Å; M445-Q448 PolarHBondContact O-N 3.43Å; M445-Q449 WeakPolarHBondContact O-CG 3.42Å; M445-Q449 PolarHBondContact O-N 2.88Å |
| 446 | R | 98.8 | Very high | 98.8 | Very high | 119 Ų | 119 | 91.2 Ų | 91.2 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 179.2 | -167 | -165.2 | 68.3 | 71.1 | 1.7 | 112.2 | T442 E443 E444 E450 | T442-R446 WeakPolarHBondContact O-CB 3.48Å; T442-R446 PolarHBondContact O-N 3.31Å; E443-R446 VanDerWaalsContact CD-NH2 3.35Å; E443-R446 PolarHBondContact O-N 3.43Å; E443-R446 IonicContact OE1-CZ 3.15Å; E443-R446 IonicContact OE1-NE 3.8Å; E443-R446 IonicContact OE1-NH2 2.72Å; E443-R446 PolarHBondContact OE1-NH2 3.39Å; E443-R446 IonicContact OE2-CZ 3.74Å; E443-R446 IonicContact OE2-NE 3.25Å; E443-R446 PolarHBondContact OE2-NE 2.78Å; E443-R446 IonicContact OE2-NH2 3.81Å; E443-R446 PolarHBondContact OE2-NH2 2.78Å; E444-R446 PolarHBondContact O-N 2.9Å; R446-E450 PolarHBondContact O-N 2.86Å; R446-E450 VanDerWaalsContact O-N 3.13Å |
| 447 | L | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 95.4 Ų | 95.4 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 177.3 | -72.8 | 172.3 | 0 | 0 | 0 | 112.2 | E443 E444 M445 E450 K451 | E443-L447 HydrophobicContact CG-CD1 3.99Å; E443-L447 HydrophobicContact CG-CG 4.41Å; E443-L447 WeakPolarHBondContact O-CB 3.34Å; E443-L447 VanDerWaalsContact O-CG 3.25Å; E443-L447 WeakPolarHBondContact O-CG 3.49Å; E443-L447 PolarHBondContact O-N 3.16Å; E444-L447 PolarHBondContact O-N 3.01Å; M445-L447 PolarHBondContact O-N 3.43Å; L447-E450 PolarHBondContact O-N 2.78Å; L447-K451 VanDerWaalsContact O-CB 3.27Å; L447-K451 WeakPolarHBondContact O-CB 3.42Å; L447-K451 PolarHBondContact O-N 3.2Å |
| 448 | Q | 98.9 | Very high | 98.8 | Very high | 72 Ų | 72 | 100.6 Ų | 100.6 | 34% | 0.336 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 177 | -178.1 | 49.4 | 49 | 0 | 0 | 111.4 | E444 M445 E450 K451 D452 | E444-Q448 VanDerWaalsContact O-CB 3.29Å; E444-Q448 WeakPolarHBondContact O-CB 3.35Å; E444-Q448 PolarHBondContact O-N 2.89Å; M445-Q448 PolarHBondContact O-N 3.43Å; Q448-E450 PolarHBondContact O-N 3.48Å; Q448-K451 WeakPolarHBondContact O-CB 3.34Å; Q448-K451 PolarHBondContact O-N 2.72Å; Q448-D452 PolarHBondContact NE2-OD1 2.84Å; Q448-D452 PolarHBondContact NE2-OD2 2.99Å; Q448-D452 VanDerWaalsContact O-CG 3.31Å; Q448-D452 PolarHBondContact O-N 3.15Å |
| 449 | Q | 98.8 | Very high | 98.8 | Very high | 123 Ų | 123 | 103.3 Ų | 103.3 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.5 | -45.7 | 172.2 | -69.7 | 175.5 | 8.3 | 0 | 0 | 112.2 | M445 K451 D452 R453 | M445-Q449 WeakPolarHBondContact O-CG 3.42Å; M445-Q449 PolarHBondContact O-N 2.88Å; Q449-K451 PolarHBondContact O-N 3.5Å; Q449-D452 PolarHBondContact O-N 3.2Å; Q449-R453 WeakPolarHBondContact O-CB 3.46Å; Q449-R453 PolarHBondContact O-N 2.93Å |
| 450 | E | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 104.4 Ų | 104.4 | 28% | 0.276 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 178.7 | 176.3 | 59.2 | -175.8 | 0 | 0 | 112.2 | R446 L447 Q448 D452 R453 L454 | R446-E450 PolarHBondContact O-N 2.86Å; R446-E450 VanDerWaalsContact O-N 3.13Å; L447-E450 PolarHBondContact O-N 2.78Å; Q448-E450 PolarHBondContact O-N 3.48Å; E450-D452 VanDerWaalsContact C-N 3.34Å; E450-D452 PolarHBondContact O-N 3.22Å; E450-R453 PolarHBondContact O-N 2.96Å; E450-R453 IonicContact OE1-CZ 3.17Å; E450-R453 IonicContact OE1-NE 3.79Å; E450-R453 IonicContact OE1-NH2 3.99Å; E450-R453 PolarHBondContact OE1-NH2 2.92Å; E450-R453 IonicContact OE2-CZ 2.81Å; E450-R453 IonicContact OE2-NE 3.41Å; E450-R453 PolarHBondContact OE2-NE 3.45Å; E450-R453 IonicContact OE2-NH2 2.79Å; E450-R453 PolarHBondContact OE2-NH2 3.37Å; E450-L454 HydrophobicContact CG-CD1 4.02Å; E450-L454 HydrophobicContact CG-CG 4.45Å; E450-L454 WeakPolarHBondContact O-CB 3.44Å; E450-L454 VanDerWaalsContact O-CG 3.25Å; E450-L454 WeakPolarHBondContact O-CG 3.42Å; E450-L454 PolarHBondContact O-N 3.43Å |
| 451 | K | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 104.3 Ų | 104.3 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 173.2 | 164.7 | -178 | 154.8 | -158.5 | 0 | 111 | L447 Q448 Q449 L454 Q455 | L447-K451 VanDerWaalsContact O-CB 3.27Å; L447-K451 WeakPolarHBondContact O-CB 3.42Å; L447-K451 PolarHBondContact O-N 3.2Å; Q448-K451 WeakPolarHBondContact O-CB 3.34Å; Q448-K451 PolarHBondContact O-N 2.72Å; Q449-K451 PolarHBondContact O-N 3.5Å; K451-L454 PolarHBondContact O-N 2.73Å; K451-Q455 WeakPolarHBondContact O-CB 3.36Å; K451-Q455 VanDerWaalsContact O-CG 3.3Å; K451-Q455 WeakPolarHBondContact O-CG 3.26Å; K451-Q455 PolarHBondContact O-N 3.16Å |
| 452 | D | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 104.1 Ų | 104.1 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | -178.3 | -64.1 | -21.1 | 0 | 0 | 0 | 111.7 | Q448 Q449 E450 L454 Q455 A456 | Q448-D452 PolarHBondContact NE2-OD1 2.84Å; Q448-D452 PolarHBondContact NE2-OD2 2.99Å; Q448-D452 VanDerWaalsContact O-CG 3.31Å; Q448-D452 PolarHBondContact O-N 3.15Å; Q449-D452 PolarHBondContact O-N 3.2Å; E450-D452 VanDerWaalsContact C-N 3.34Å; E450-D452 PolarHBondContact O-N 3.22Å; D452-L454 VanDerWaalsContact C-N 3.34Å; D452-L454 PolarHBondContact O-N 3.06Å; D452-Q455 PolarHBondContact O-N 2.88Å; D452-A456 WeakPolarHBondContact O-CB 3.49Å; D452-A456 PolarHBondContact O-N 3.25Å |
| 453 | R | 98.8 | Very high | 98.7 | Very high | 162 Ų | 162 | 106.7 Ų | 106.7 | 61% | 0.611 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.9 | -45.6 | 170.7 | -170.1 | -178.3 | 74.6 | 140.4 | 0.7 | 111.9 | Q449 E450 R457 | Q449-R453 WeakPolarHBondContact O-CB 3.46Å; Q449-R453 PolarHBondContact O-N 2.93Å; E450-R453 PolarHBondContact O-N 2.96Å; E450-R453 IonicContact OE1-CZ 3.17Å; E450-R453 IonicContact OE1-NE 3.79Å; E450-R453 IonicContact OE1-NH2 3.99Å; E450-R453 PolarHBondContact OE1-NH2 2.92Å; E450-R453 IonicContact OE2-CZ 2.81Å; E450-R453 IonicContact OE2-NE 3.41Å; E450-R453 PolarHBondContact OE2-NE 3.45Å; E450-R453 IonicContact OE2-NH2 2.79Å; E450-R453 PolarHBondContact OE2-NH2 3.37Å; R453-R457 WeakPolarHBondContact O-CB 3.48Å; R453-R457 PolarHBondContact O-N 3.05Å |
| 454 | L | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 109.9 Ų | 109.9 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 177.5 | -70.8 | 173.1 | 0 | 0 | 0 | 112.3 | E450 K451 D452 R458 | E450-L454 HydrophobicContact CG-CD1 4.02Å; E450-L454 HydrophobicContact CG-CG 4.45Å; E450-L454 WeakPolarHBondContact O-CB 3.44Å; E450-L454 VanDerWaalsContact O-CG 3.25Å; E450-L454 WeakPolarHBondContact O-CG 3.42Å; E450-L454 PolarHBondContact O-N 3.43Å; K451-L454 PolarHBondContact O-N 2.73Å; D452-L454 VanDerWaalsContact C-N 3.34Å; D452-L454 PolarHBondContact O-N 3.06Å; L454-R458 WeakPolarHBondContact O-CB 3.28Å; L454-R458 PolarHBondContact O-N 3.36Å |
| 455 | Q | 98.8 | Very high | 98.6 | Very high | 85 Ų | 85 | 107.9 Ų | 107.9 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 173.9 | -74.8 | -176.2 | 30.4 | 0 | 0 | 111.9 | K451 D452 R457 R458 Q459 | K451-Q455 WeakPolarHBondContact O-CB 3.36Å; K451-Q455 VanDerWaalsContact O-CG 3.3Å; K451-Q455 WeakPolarHBondContact O-CG 3.26Å; K451-Q455 PolarHBondContact O-N 3.16Å; D452-Q455 PolarHBondContact O-N 2.88Å; Q455-R457 VanDerWaalsContact C-N 3.32Å; Q455-R457 PolarHBondContact O-N 3.04Å; Q455-R458 WeakPolarHBondContact O-CB 3.45Å; Q455-R458 PolarHBondContact O-N 3.38Å; Q455-R458 VanDerWaalsContact O-N 3.14Å; Q455-Q459 WeakPolarHBondContact O-CG 3.41Å; Q455-Q459 PolarHBondContact O-N 3.24Å |
| 456 | A | 98.8 | Very high | 98.5 | Very high | 54 Ų | 54 | 108.6 Ų | 108.6 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D452 R458 Q459 H460 | D452-A456 WeakPolarHBondContact O-CB 3.49Å; D452-A456 PolarHBondContact O-N 3.25Å; A456-R458 PolarHBondContact O-N 2.88Å; A456-Q459 PolarHBondContact O-N 3.32Å; A456-H460 WeakPolarHBondContact O-CB 3.48Å; A456-H460 PolarHBondContact O-N 3.37Å |
| 457 | R | 98.8 | Very high | 98.4 | Very high | 170 Ų | 170 | 108.8 Ų | 108.8 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.3 | -43.4 | 174.4 | -171.7 | 179.4 | -177.9 | -161.9 | 1.6 | 112.2 | R453 Q455 H460 L461 | R453-R457 WeakPolarHBondContact O-CB 3.48Å; R453-R457 PolarHBondContact O-N 3.05Å; Q455-R457 VanDerWaalsContact C-N 3.32Å; Q455-R457 PolarHBondContact O-N 3.04Å; R457-H460 PolarHBondContact O-N 3.11Å; R457-L461 HydrophobicContact CG-CD1 4.28Å; R457-L461 WeakPolarHBondContact O-CG 3.31Å; R457-L461 PolarHBondContact O-N 3.39Å |
| 458 | R | 98.6 | Very high | 98.3 | Very high | 184 Ų | 184 | 107.8 Ų | 107.8 | 69% | 0.694 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -48.1 | 175.1 | 177.9 | -177.1 | 172.1 | -167.4 | -2.9 | 111 | L454 Q455 A456 H460 L461 M462 | L454-R458 WeakPolarHBondContact O-CB 3.28Å; L454-R458 PolarHBondContact O-N 3.36Å; Q455-R458 WeakPolarHBondContact O-CB 3.45Å; Q455-R458 PolarHBondContact O-N 3.38Å; Q455-R458 VanDerWaalsContact O-N 3.14Å; A456-R458 PolarHBondContact O-N 2.88Å; R458-H460 PolarHBondContact O-N 3.47Å; R458-L461 PolarHBondContact O-N 2.86Å; R458-M462 WeakPolarHBondContact O-CG 3.49Å; R458-M462 PolarHBondContact O-N 3.34Å |
| 459 | Q | 98.7 | Very high | 98.1 | Very high | 118 Ų | 118 | 114.2 Ų | 114.2 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 178.4 | -69.6 | 175 | 11.6 | 0 | 0 | 112.1 | Q455 A456 M462 R463 | Q455-Q459 WeakPolarHBondContact O-CG 3.41Å; Q455-Q459 PolarHBondContact O-N 3.24Å; A456-Q459 PolarHBondContact O-N 3.32Å; Q459-M462 PolarHBondContact O-N 3.33Å; Q459-R463 PolarHBondContact O-N 3.47Å |
| 460 | H | 98.6 | Very high | 97.8 | Very high | 85 Ų | 85 | 113.9 Ų | 113.9 | 39% | 0.394 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.3 | 174.6 | 86.8 | 0 | 0 | 0 | 112 | A456 R457 R458 M462 R463 R464 | A456-H460 WeakPolarHBondContact O-CB 3.48Å; A456-H460 PolarHBondContact O-N 3.37Å; R457-H460 PolarHBondContact O-N 3.11Å; R458-H460 PolarHBondContact O-N 3.47Å; H460-M462 PolarHBondContact O-N 3.27Å; H460-R463 PolarHBondContact O-N 3.3Å; H460-R464 WeakPolarHBondContact NE2-CD 3.41Å; H460-R464 PolarHBondContact O-N 2.82Å |
| 461 | L | 98.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 124.2 Ų | 124.2 | 42% | 0.419 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 176.5 | -70.4 | 171.9 | 0 | 0 | 0 | 112.3 | R457 R458 R464 L465 | R457-L461 HydrophobicContact CG-CD1 4.28Å; R457-L461 WeakPolarHBondContact O-CG 3.31Å; R457-L461 PolarHBondContact O-N 3.39Å; R458-L461 PolarHBondContact O-N 2.86Å; L461-R464 PolarHBondContact O-N 3.17Å; L461-L465 WeakPolarHBondContact O-CG 3.13Å; L461-L465 PolarHBondContact O-N 3.43Å |
| 462 | M | 98.3 | Very high | 96.3 | Very high | 108 Ų | 108 | 125.3 Ų | 125.3 | 53% | 0.532 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.8 | -48.4 | 174.1 | -73.2 | -61.9 | -61.7 | 0 | 0 | 111.8 | R458 Q459 H460 R464 L465 E466 | R458-M462 WeakPolarHBondContact O-CG 3.49Å; R458-M462 PolarHBondContact O-N 3.34Å; Q459-M462 PolarHBondContact O-N 3.33Å; H460-M462 PolarHBondContact O-N 3.27Å; M462-R464 VanDerWaalsContact C-N 3.29Å; M462-R464 PolarHBondContact O-N 2.94Å; M462-L465 PolarHBondContact O-N 2.76Å; M462-L465 VanDerWaalsContact O-N 3.13Å; M462-E466 PolarHBondContact O-N 3.12Å |
| 463 | R | 97.9 | Very high | 96.1 | Very high | 144 Ų | 144 | 128.1 Ų | 128.1 | 54% | 0.543 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57 | -41.4 | 174.7 | -75 | -175.5 | -75.1 | 151.6 | -10 | 112.1 | Q459 H460 E466 Q467 | Q459-R463 PolarHBondContact O-N 3.47Å; H460-R463 PolarHBondContact O-N 3.3Å; R463-E466 PolarHBondContact O-N 3.38Å; R463-Q467 VanDerWaalsContact O-CG 3.31Å; R463-Q467 WeakPolarHBondContact O-CG 3.44Å; R463-Q467 PolarHBondContact O-N 2.73Å |
| 464 | R | 97.9 | Very high | 96 | Very high | 146 Ų | 146 | 126.2 Ų | 126.2 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.7 | -37.3 | 175.9 | -76.1 | -175.3 | 60.4 | -172.1 | -0.8 | 113.4 | H460 L461 M462 A468 | H460-R464 WeakPolarHBondContact NE2-CD 3.41Å; H460-R464 PolarHBondContact O-N 2.82Å; L461-R464 PolarHBondContact O-N 3.17Å; M462-R464 VanDerWaalsContact C-N 3.29Å; M462-R464 PolarHBondContact O-N 2.94Å; R464-A468 WeakPolarHBondContact O-CB 3.43Å; R464-A468 PolarHBondContact O-N 3.29Å |
| 465 | L | 97.9 | Very high | 95.8 | Very high | 98 Ų | 98 | 128.6 Ų | 128.6 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.5 | -37 | 174.9 | -75 | 170.9 | 0 | 0 | 0 | 111.8 | L461 M462 A468 R469 | L461-L465 WeakPolarHBondContact O-CG 3.13Å; L461-L465 PolarHBondContact O-N 3.43Å; M462-L465 PolarHBondContact O-N 2.76Å; M462-L465 VanDerWaalsContact O-N 3.13Å; L465-A468 PolarHBondContact O-N 3.28Å; L465-R469 VanDerWaalsContact O-CG 3.29Å; L465-R469 WeakPolarHBondContact O-CG 3.21Å; L465-R469 PolarHBondContact O-N 2.64Å; L465-R469 VanDerWaalsContact O-N 3.08Å |
| 466 | E | 97.4 | Very high | 95.7 | Very high | 127 Ų | 127 | 131.4 Ų | 131.4 | 59% | 0.593 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -48.7 | 174.7 | -174.6 | 170.4 | -155.3 | 0 | 0 | 111.7 | M462 R463 A468 R469 T470 | M462-E466 PolarHBondContact O-N 3.12Å; R463-E466 PolarHBondContact O-N 3.38Å; E466-A468 PolarHBondContact O-N 3.49Å; E466-R469 WeakPolarHBondContact O-CB 3.45Å; E466-R469 PolarHBondContact O-N 2.64Å; E466-T470 PolarHBondContact O-N 3.39Å; E466-T470 VanDerWaalsContact O-N 3.1Å; E466-T470 PolarHBondContact O-OG1 2.74Å |
| 467 | Q | 96.6 | Very high | 95.4 | Very high | 122 Ų | 122 | 136.5 Ų | 136.5 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -58.6 | -29.2 | 172.8 | -70.9 | 172 | -2.2 | 0 | 0 | 113.6 | R463 T470 | R463-Q467 VanDerWaalsContact O-CG 3.31Å; R463-Q467 WeakPolarHBondContact O-CG 3.44Å; R463-Q467 PolarHBondContact O-N 2.73Å; Q467-T470 PolarHBondContact O-OG1 2.94Å |
| 468 | A | 96.1 | Very high | 95.2 | Very high | 68 Ų | 68 | 134.1 Ų | 134.1 | 56% | 0.562 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -11.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R464 L465 E466 | R464-A468 WeakPolarHBondContact O-CB 3.43Å; R464-A468 PolarHBondContact O-N 3.29Å; L465-A468 PolarHBondContact O-N 3.28Å; E466-A468 PolarHBondContact O-N 3.49Å |
| 469 | R | 95.2 | Very high | 94.9 | Very high | 207 Ų | 207 | 130.3 Ų | 130.3 | 78% | 0.781 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -22.5 | 173.1 | -75.7 | 170.2 | 175.3 | -173.6 | -1.1 | 113 | L465 E466 | L465-R469 VanDerWaalsContact O-CG 3.29Å; L465-R469 WeakPolarHBondContact O-CG 3.21Å; L465-R469 PolarHBondContact O-N 2.64Å; L465-R469 VanDerWaalsContact O-N 3.08Å; E466-R469 WeakPolarHBondContact O-CB 3.45Å; E466-R469 PolarHBondContact O-N 2.64Å |
| 470 | T | 91.8 | Very high | 94.6 | Very high | 115 Ų | 115 | 131.3 Ų | 131.3 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | trans | -92.5 | 0.8 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | E466 Q467 | E466-T470 PolarHBondContact O-N 3.39Å; E466-T470 VanDerWaalsContact O-N 3.1Å; E466-T470 PolarHBondContact O-OG1 2.74Å; Q467-T470 PolarHBondContact O-OG1 2.94Å | ||
| 471 | R | 69.4 | Low | 94.3 | Very high | 276 Ų | 276 | 135.5 Ų | 135.5 | 100% | 1.042 | 62% | 0.619 | S | S | * | * | trans | -103.7 | 0 | 167.5 | -72.5 | -177.9 | 176.3 | -167.7 | 0.5 | 110.5 |
Retrieved 471 of 471 residues in 83.2 ms
(Link to these results)