| 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 | 35.2 | Very low | 34.2 | Very low | 236 Ų | 236 | 167 Ų | 167 | 100% | 1.163 | 82% | 0.818 | S | S | * | * | 0 | 109.3 | 0 | -55.1 | 72.8 | 166.5 | 0 | 0 | 105.8 | |||||
| 2 | A | 24.8 | Very low | 33.8 | Very low | 87 Ų | 87 | 160.3 Ų | 160.3 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | cis | 85.9 | 83.7 | 49.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | H | 31.5 | Very low | 33.4 | Very low | 181 Ų | 181 | 157.5 Ų | 157.5 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | 58.5 | 167.3 | 145 | -66.3 | -81.3 | 0 | 0 | 0 | 120.9 | ||||
| 4 | P | 43.8 | Very low | 33.2 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | cis | -128.3 | 158.1 | -13.7 | 20.4 | 2.3 | 0 | 0 | 0 | 115.3 | ||||
| 5 | Y | 31.7 | Very low | 33 | Very low | 214 Ų | 214 | 152.3 Ų | 152.3 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -119.8 | 127.9 | 142.9 | 175.8 | -90.5 | 0 | 0 | 0 | 106 | ||||
| 6 | E | 36.9 | Very low | 32.9 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | trans | -146.7 | 158 | 175.8 | -93 | -63.3 | 101 | 0 | 0 | 110.2 | ||||
| 7 | P | 46.8 | Very low | 32.5 | Very low | 75 Ų | 75 | 145 Ų | 145 | 49% | 0.487 | 81% | 0.807 | S | S | . | * | trans | -103.6 | 174.5 | -156.1 | 41 | -37.7 | 0 | 0 | 0 | 114.2 | ||||
| 8 | W | 31 | Very low | 32.7 | Very low | 256 Ų | 256 | 144.1 Ų | 144.1 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -124.5 | 84.5 | 168.4 | -57.9 | 95.8 | 0 | 0 | 0 | 111.3 | ||||
| 9 | L | 32.1 | Very low | 32.7 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -81.5 | 130.7 | 155.3 | -95.8 | 167.5 | 0 | 0 | 0 | 108.8 | ||||
| 10 | R | 32.2 | Very low | 32.9 | Very low | 225 Ų | 225 | 147.5 Ų | 147.5 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | trans | 38.8 | 117.9 | 159.3 | -68.9 | -176 | 171.7 | -153.9 | -2.8 | 118.7 | ||||
| 11 | T | 30.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 149 Ų | 149 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | -119.2 | 137.3 | 123.8 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 12 | A | 29.6 | Very low | 33 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -111.7 | 131 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 13 | P | 28 | Very low | 33.5 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -76.9 | 123.3 | 167.9 | 30 | -30.4 | 0 | 0 | 0 | 109.5 | ||||
| 14 | S | 30.8 | Very low | 33.9 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -99.2 | 92 | 175.1 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | S | 30.3 | Very low | 33.7 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -162.4 | 139.3 | 155.8 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 16 | G | 31.1 | Very low | 34.3 | Very low | 86 Ų | 86 | 137 Ų | 137 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -89 | 135.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 17 | S | 26 | Very low | 34.5 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -137.1 | 138.8 | 131.3 | 56 | 0 | 0 | 0 | 0 | 108.1 | E19 | S17-E19 PolarHBondContact O-N 3.45Š| ||
| 18 | S | 37.1 | Very low | 34.2 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -86.1 | 84.5 | 179.1 | 52 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 19 | E | 32.5 | Very low | 34.8 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -110 | 121.2 | 167.5 | -74.9 | 177.4 | 107.5 | 0 | 0 | 109.3 | S17 M21 | S17-E19 PolarHBondContact O-N 3.45Å; E19-M21 PolarHBondContact O-N 3Å; E19-M21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | E | 36.1 | Very low | 35 | Very low | 196 Ų | 196 | 132.4 Ų | 132.4 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | trans | -64.8 | 109.6 | 177.6 | -66.4 | -172.2 | 109.4 | 0 | 0 | 109.3 | N22 | E20-N22 PolarHBondContact O-N 3.21Š| ||
| 21 | M | 32.5 | Very low | 35.4 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -66.1 | 89.5 | 168.1 | -84.8 | -176.1 | -95.6 | 0 | 0 | 109.4 | E19 I23 | E19-M21 PolarHBondContact O-N 3Å; E19-M21 VanDerWaalsContact O-N 3.08Å; M21-I23 VanDerWaalsContact C-N 3.33Å; M21-I23 PolarHBondContact O-N 3.36Å | ||
| 22 | N | 36.7 | Very low | 35.8 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | -65.4 | 92.2 | 169.2 | -174.1 | 0.4 | 0 | 0 | 0 | 108.7 | E20 P24 | E20-N22 PolarHBondContact O-N 3.21Å; N22-P24 WeakPolarHBondContact O-CD 3.17Å | ||
| 23 | I | 37.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | -65.2 | 113.2 | -179.7 | -57.8 | 176.3 | 0 | 0 | 0 | 108.1 | M21 S25 | M21-I23 VanDerWaalsContact C-N 3.33Å; M21-I23 PolarHBondContact O-N 3.36Å; I23-S25 PolarHBondContact O-N 3.48Å | ||
| 24 | P | 40.1 | Very low | 36.9 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | trans | -63.3 | 129.1 | -175.7 | -23.2 | 35.3 | 0 | 0 | 0 | 111.3 | N22 | N22-P24 WeakPolarHBondContact O-CD 3.17Š| ||
| 25 | S | 38.4 | Very low | 37 | Very low | 43 Ų | 43 | 134.9 Ų | 134.9 | 30% | 0.301 | 72% | 0.724 | S | S | . | * | trans | -63.7 | 138.1 | 174.3 | 31 | 0 | 0 | 0 | 0 | 111.8 | I23 W27 D28 | I23-S25 PolarHBondContact O-N 3.48Å; S25-W27 PolarHBondContact O-N 3.45Å; S25-W27 PolarHBondContact OG-NE1 3.08Å; S25-D28 WeakPolarHBondContact O-CB 3.45Å; S25-D28 PolarHBondContact O-N 3.11Å; S25-D28 PolarHBondContact OG-OD2 3.03Å | ||
| 26 | W | 45.1 | Very low | 37.5 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 56% | 0.564 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -12.1 | -172.6 | 67.9 | -87.7 | 0 | 0 | 0 | 116 | D28 | W26-D28 VanDerWaalsContact C-N 3.26Š|
| 27 | W | 40.1 | Very low | 37.5 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 66% | 0.659 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -22.7 | 171.2 | 38.5 | 67.2 | 0 | 0 | 0 | 113 | S25 H30 | S25-W27 PolarHBondContact O-N 3.45Å; S25-W27 PolarHBondContact OG-NE1 3.08Å; W27-H30 PolarHBondContact O-N 2.8Å |
| 28 | D | 40.1 | Very low | 37.9 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 46% | 0.46 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | -73.8 | -25.5 | 178.8 | -62 | -66.1 | 0 | 0 | 0 | 113.1 | S25 W26 H30 | S25-D28 WeakPolarHBondContact O-CB 3.45Å; S25-D28 PolarHBondContact O-N 3.11Å; S25-D28 PolarHBondContact OG-OD2 3.03Å; W26-D28 VanDerWaalsContact C-N 3.26Å; D28-H30 VanDerWaalsContact C-N 3.28Å; D28-H30 PolarHBondContact O-N 3.27Å |
| 29 | L | 44.6 | Very low | 38.2 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -77.9 | -6.4 | 174.8 | -102.3 | 83.7 | 0 | 0 | 0 | 114.2 | ||
| 30 | H | 37 | Very low | 38.5 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -96.5 | 10.5 | -167.2 | -140.7 | -63 | 0 | 0 | 0 | 114.8 | W27 D28 | W27-H30 PolarHBondContact O-N 2.8Å; D28-H30 VanDerWaalsContact C-N 3.28Å; D28-H30 PolarHBondContact O-N 3.27Å |
| 31 | R | 40.3 | Very low | 39.1 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -92.8 | -11.6 | 179.7 | -170.1 | 158.7 | 56.7 | -148.4 | -7.2 | 114.6 | ||
| 32 | D | 37.9 | Very low | 39.8 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | -113.4 | 63.1 | -176 | -69.6 | -67.2 | 0 | 0 | 0 | 113.4 | ||||
| 33 | V | 42.5 | Very low | 40.8 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 74% | 0.739 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -127.8 | 39.7 | 168.2 | -162.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 34 | Q | 37.9 | Very low | 41.3 | Very low | 203 Ų | 203 | 129.3 Ų | 129.3 | 95% | 0.949 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -139.8 | 1.2 | 169.8 | -113.8 | 178 | -4.6 | 0 | 0 | 115.6 | ||
| 35 | A | 34.6 | Very low | 41.2 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 69% | 0.69 | S | S | * | * | trans | -114.6 | 109 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | S37 | A35-S37 PolarHBondContact O-N 2.92Š| ||
| 36 | G | 39.6 | Very low | 41.2 | Very low | 89 Ų | 89 | 135 Ų | 135 | 92% | 0.918 | 71% | 0.708 | S | S | * | * | trans | -84.6 | 91.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 37 | S | 32.4 | Very low | 40.9 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | trans | -166 | 144 | 153.4 | -164.2 | 0 | 0 | 0 | 0 | 110.5 | A35 | A35-S37 PolarHBondContact O-N 2.92Š| ||
| 38 | W | 34.3 | Very low | 40.7 | Very low | 240 Ų | 240 | 129.5 Ų | 129.5 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -92.1 | 124.1 | 168.6 | -68.6 | 82.5 | 0 | 0 | 0 | 108.8 | ||||
| 39 | I | 43.2 | Very low | 40.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 59% | 0.59 | 74% | 0.742 | S | S | * | * | trans | -121.1 | 129.5 | 170.5 | 15.1 | 172.6 | 0 | 0 | 0 | 108.5 | L41 | I39-L41 PolarHBondContact O-N 3.06Š| ||
| 40 | D | 39.2 | Very low | 40.2 | Very low | 88 Ų | 88 | 131 Ų | 131 | 47% | 0.471 | 75% | 0.745 | S | S | . | * | trans | -72.8 | 119.4 | 173.5 | 179 | -86 | 0 | 0 | 0 | 109.7 | Q42 T43 G44 | D40-Q42 PolarHBondContact O-N 3.03Å; D40-Q42 WeakPolarHBondContact OD1-CA 3.33Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.42Å; D40-Q42 PolarHBondContact OD1-N 2.89Å; D40-T43 PolarHBondContact O-N 2.91Å; D40-T43 PolarHBondContact OD1-N 3.21Å; D40-T43 VanDerWaalsContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.22Å; D40-G44 PolarHBondContact O-N 3.39Å | ||
| 41 | L | 46.8 | Very low | 39.9 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -4.4 | -174.5 | -103.5 | 84.2 | 0 | 0 | 0 | 114.4 | I39 | I39-L41 PolarHBondContact O-N 3.06Š|
| 42 | Q | 48.2 | Very low | 39.5 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -20.8 | 178.9 | -147.2 | 108.7 | 18.5 | 0 | 0 | 112.5 | D40 | D40-Q42 PolarHBondContact O-N 3.03Å; D40-Q42 WeakPolarHBondContact OD1-CA 3.33Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.42Å; D40-Q42 PolarHBondContact OD1-N 2.89Å |
| 43 | T | 57.9 | Low | 39.3 | Very low | 104 Ų | 104 | 126 Ų | 126 | 64% | 0.638 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | -16.1 | -171 | 55.4 | 0 | 0 | 0 | 0 | 116.1 | D40 Q45 | D40-T43 PolarHBondContact O-N 2.91Å; D40-T43 PolarHBondContact OD1-N 3.21Å; D40-T43 VanDerWaalsContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.22Å; T43-Q45 VanDerWaalsContact C-N 3.34Å; T43-Q45 PolarHBondContact O-N 3.06Å |
| 44 | G | 47.9 | Very low | 39.1 | Very low | 58 Ų | 58 | 127.3 Ų | 127.3 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | trans | 68.6 | 20.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | D40 | D40-G44 PolarHBondContact O-N 3.39Š| ||
| 45 | Q | 37.6 | Very low | 38.6 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -113.1 | 148.9 | 173.8 | -71.1 | -166.5 | -27.9 | 0 | 0 | 112.7 | T43 | T43-Q45 VanDerWaalsContact C-N 3.34Å; T43-Q45 PolarHBondContact O-N 3.06Å | ||
| 46 | S | 37.6 | Very low | 38.4 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 123.7 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 47 | V | 38.8 | Very low | 38 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 120.9 | 172.7 | -72.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 48 | G | 36.7 | Very low | 38 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 149.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 49 | V | 37.5 | Very low | 37.7 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 133.3 | 175.6 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | S51 | V49-S51 PolarHBondContact O-N 2.79Š|
| 50 | P | 36.3 | Very low | 37.4 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77 | 118.5 | 175.2 | 28.9 | -32.3 | 0 | 0 | 0 | 111.1 | ||
| 51 | S | 31.2 | Very low | 37 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129.1 | 168.5 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | V49 S53 | V49-S51 PolarHBondContact O-N 2.79Å; S51-S53 PolarHBondContact O-N 2.75Å |
| 52 | V | 32.3 | Very low | 36.3 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 92% | 0.915 | 81% | 0.805 | S | S | * | * | trans | -80.8 | 97.4 | 170.8 | -72.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 53 | S | 32 | Very low | 35.7 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -81.9 | 134.9 | 169.1 | 40.2 | 0 | 0 | 0 | 0 | 110.9 | S51 G55 | S51-S53 PolarHBondContact O-N 2.75Å; S53-G55 PolarHBondContact O-N 2.9Å | ||
| 54 | T | 38.3 | Very low | 34.5 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -64.3 | 124.3 | 174 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 55 | G | 28.9 | Very low | 33.6 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -134.9 | 123 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S53 | S53-G55 PolarHBondContact O-N 2.9Š| ||
| 56 | S | 29.7 | Very low | 34 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -84.3 | 148.9 | -174.7 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 57 | S | 31.5 | Very low | 33.7 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | 51.9 | 110.3 | 140.9 | 62.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 58 | M | 31.6 | Very low | 33.2 | Very low | 203 Ų | 203 | 129.7 Ų | 129.7 | 100% | 1 | 82% | 0.821 | S | S | * | * | trans | -139.9 | 133.7 | 130 | -68.3 | -163.6 | -163 | 0 | 0 | 108.6 | ||||
| 59 | G | 29.3 | Very low | 33.1 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | 177.3 | 65.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 60 | L | 36 | Very low | 32.9 | Very low | 176 Ų | 176 | 132 Ų | 132 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 54.9 | 105.1 | 150.3 | -61.8 | 172.5 | 0 | 0 | 0 | 120.3 | ||||
| 61 | Q | 32.2 | Very low | 33.4 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -60.2 | 129.7 | 153.4 | 42.5 | 177.3 | -12.7 | 0 | 0 | 113.2 | ||||
| 62 | N | 31.2 | Very low | 33.6 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -156.3 | 148.2 | 146.5 | -141.4 | -4.2 | 0 | 0 | 0 | 111.4 | ||||
| 63 | S | 35.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -95.5 | 154.7 | -163.8 | -59 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 64 | L | 33 | Very low | 33.4 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | 159.3 | 135.8 | 130 | -82.4 | 166.7 | 0 | 0 | 0 | 110.6 | ||||
| 65 | G | 27.4 | Very low | 33 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -107.9 | -150.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 66 | P | 47.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | cis | -139.2 | -175.5 | -10.8 | 28.5 | -3.6 | 0 | 0 | 0 | 114.8 | ||||
| 67 | Y | 30.9 | Very low | 34.4 | Very low | 232 Ų | 232 | 135.9 Ų | 135.9 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | trans | 67.8 | 136.4 | 166.5 | -63.7 | -79.1 | 0 | 0 | 0 | 120.8 | ||||
| 68 | G | 28.5 | Very low | 34.7 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 151.4 | 83.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 69 | S | 33.9 | Very low | 34.9 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 44.8 | 117.7 | 147.8 | 54.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 70 | D | 33.5 | Very low | 35.1 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -51 | 155.8 | 147.5 | -119.4 | -75.4 | 0 | 0 | 0 | 112.1 | Q72 | D70-Q72 PolarHBondContact OD1-N 2.92Š| ||
| 71 | P | 46 | Very low | 35.1 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -150.4 | 148.7 | 72.8 | 40.1 | -20.9 | 0 | 0 | 0 | 118.7 | |||||
| 72 | Q | 36.5 | Very low | 35.2 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 52.8 | 107.4 | 131.9 | -66.2 | -67.1 | -59.2 | 0 | 0 | 117.8 | D70 | D70-Q72 PolarHBondContact OD1-N 2.92Š| ||
| 73 | L | 29.8 | Very low | 35.3 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 160.9 | 158.9 | 78.7 | -90.8 | 145 | 0 | 0 | 0 | 106.9 | |||||
| 74 | C | 28.8 | Very low | 35.1 | Very low | 101 Ų | 101 | 133 Ų | 133 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | cis | -135.6 | 156.7 | -2.3 | -82.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 75 | T | 30.3 | Very low | 35.1 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | -132.2 | 122.4 | 165.8 | -47 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 76 | M | 45.4 | Very low | 35.5 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 145.9 | 172 | -72.7 | -69.3 | 162.7 | 0 | 0 | 110.5 | ||
| 77 | P | 43.2 | Very low | 34.9 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 147.8 | -175.4 | 31.3 | -35.6 | 0 | 0 | 0 | 112.6 | T79 | P77-T79 PolarHBondContact O-N 3.17Š|
| 78 | P | 38.4 | Very low | 35.4 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 122 | 170.4 | 30.1 | -32.4 | 0 | 0 | 0 | 110.9 | Q80 | P78-Q80 PolarHBondContact O-N 2.9Š|
| 79 | T | 34.7 | Very low | 35.7 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.5 | 172.5 | -7.7 | 0 | 0 | 0 | 0 | 110.3 | P77 | P77-T79 PolarHBondContact O-N 3.17Š|
| 80 | Q | 33.8 | Very low | 35.6 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 127.2 | 172.5 | -63 | -166.3 | 13.1 | 0 | 0 | 110.5 | P78 | P78-Q80 PolarHBondContact O-N 2.9Š|
| 81 | H | 35.3 | Very low | 35.5 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | -129 | 127.1 | 158 | -80.7 | -79.8 | 0 | 0 | 0 | 110.3 | ||||
| 82 | T | 35.2 | Very low | 35.3 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 139.7 | -175.5 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | T84 | T82-T84 PolarHBondContact O-N 3.15Š| ||
| 83 | P | 34 | Very low | 35.4 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -79.8 | 108.3 | 167.3 | 31 | -31.3 | 0 | 0 | 0 | 110.9 | ||||
| 84 | T | 29.8 | Very low | 35.6 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | trans | -73.2 | 129 | 169.6 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | T82 | T82-T84 PolarHBondContact O-N 3.15Š| ||
| 85 | S | 33.1 | Very low | 36.1 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -73.7 | 131.6 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 86 | H | 36.4 | Very low | 36.2 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | trans | -137.1 | 100.3 | 161 | -80.6 | -80.7 | 0 | 0 | 0 | 109.8 | ||||
| 87 | S | 35.4 | Very low | 35.7 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.7 | 166.1 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 88 | P | 40.7 | Very low | 35.2 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 147 | 150.8 | 31.9 | -27 | 0 | 0 | 0 | 110.7 | ||
| 89 | H | 34.8 | Very low | 35.2 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 146.4 | -172.1 | -93.3 | -125 | 0 | 0 | 0 | 115.1 | F91 | H89-F91 HydrophobicContact CB-CE2 4.46Š|
| 90 | L | 32.5 | Very low | 35.3 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 136.8 | 155.1 | -69.8 | 163.3 | 0 | 0 | 0 | 109.9 | ||
| 91 | F | 31.9 | Very low | 35.4 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -122.7 | 129.3 | 157.1 | -86.2 | -85.6 | 0 | 0 | 0 | 108.1 | H89 | H89-F91 HydrophobicContact CB-CE2 4.46Š| ||
| 92 | P | 41.4 | Very low | 35.7 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -81.8 | 143.1 | 174.5 | 33.3 | -32.3 | 0 | 0 | 0 | 110.4 | ||||
| 93 | L | 38.2 | Very low | 36 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -129 | 118.9 | 162.2 | -74.4 | 178.4 | 0 | 0 | 0 | 108.9 | ||||
| 94 | D | 34.2 | Very low | 36.4 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -67.9 | 143.1 | 179 | -72.6 | -86.9 | 0 | 0 | 0 | 113.3 | ||||
| 95 | G | 40 | Very low | 36.9 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 48.4 | 92.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 96 | F | 32.8 | Very low | 37 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -127.8 | 101.8 | 141.7 | -103.1 | -88.3 | 0 | 0 | 0 | 110.3 | ||||
| 97 | K | 33.7 | Very low | 37 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -88 | 118.3 | 173.8 | 179.1 | -179 | 174.8 | -171.1 | 0 | 108.2 | ||||
| 98 | M | 33.1 | Very low | 37 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 84% | 0.837 | 80% | 0.8 | S | S | * | * | trans | -108.1 | 122.7 | 165.5 | -63.3 | -171.2 | -157.7 | 0 | 0 | 108.7 | ||||
| 99 | E | 39.3 | Very low | 36.9 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 148.5 | 168.4 | -73.3 | -174.4 | 83.7 | 0 | 0 | 110.5 | ||
| 100 | P | 35.8 | Very low | 37.1 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126.3 | 174.1 | 31 | -32.4 | 0 | 0 | 0 | 110.7 | ||
| 101 | L | 36.8 | Very low | 37 | Very low | 175 Ų | 175 | 153.4 Ų | 153.4 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 132.6 | 167 | -68 | 170.3 | 0 | 0 | 0 | 109.5 | ||
| 102 | G | 40.5 | Very low | 37 | Very low | 66 Ų | 66 | 149.2 Ų | 149.2 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 167.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 103 | P | 42.7 | Very low | 36.9 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 120.8 | 179.5 | 31.7 | -32.8 | 0 | 0 | 0 | 111.8 | ||
| 104 | E | 42.1 | Very low | 36.8 | Very low | 185 Ų | 185 | 153.6 Ų | 153.6 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 158.8 | 168.7 | -106.2 | -98.5 | 66.9 | 0 | 0 | 111 | ||
| 105 | M | 39 | Very low | 37.2 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 77% | 0.768 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 162.4 | -149.6 | -72.6 | -173.1 | 57.8 | 0 | 0 | 117.2 | ||
| 106 | L | 36.6 | Very low | 37.2 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 65% | 0.654 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57 | 128.6 | 160.5 | -93.4 | 66 | 0 | 0 | 0 | 111.3 | Q108 | L106-Q108 HydrophobicContact CD2-CG 4.08Š|
| 107 | Q | 36.8 | Very low | 37.2 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -110.8 | 111.6 | 138.1 | -111 | 71.7 | 31.7 | 0 | 0 | 108.5 | ||||
| 108 | Q | 34.7 | Very low | 37.6 | Very low | 159 Ų | 159 | 156 Ų | 156 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | -84 | 113.4 | 163.2 | -70.9 | 169.6 | -49.7 | 0 | 0 | 107.5 | L106 T110 | L106-Q108 HydrophobicContact CD2-CG 4.08Å; Q108-T110 PolarHBondContact O-N 3.15Å | ||
| 109 | E | 39.1 | Very low | 37.6 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -81.3 | 115.2 | 162.2 | -71 | -152.8 | 112.6 | 0 | 0 | 109.2 | F111 | E109-F111 PolarHBondContact O-N 3Š| ||
| 110 | T | 37.6 | Very low | 37.4 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -73.9 | 110.8 | 174.6 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | Q108 | Q108-T110 PolarHBondContact O-N 3.15Š| ||
| 111 | F | 30.8 | Very low | 37.7 | Very low | 206 Ų | 206 | 152.5 Ų | 152.5 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -93.3 | 99 | 169.1 | -157.4 | -94 | 0 | 0 | 0 | 110.2 | E109 | E109-F111 PolarHBondContact O-N 3Š| ||
| 112 | S | 32.1 | Very low | 37.6 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 66% | 0.664 | 81% | 0.81 | S | S | * | * | trans | -64.7 | 150.3 | 174.1 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 113 | L | 38.3 | Very low | 37.8 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -70.4 | 131.5 | 167 | -69.4 | 157.5 | 0 | 0 | 0 | 110.1 | ||||
| 114 | E | 36.7 | Very low | 37.5 | Very low | 198 Ų | 198 | 156.7 Ų | 156.7 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -129.5 | 142.9 | 152.5 | -83.2 | -168.5 | 84 | 0 | 0 | 109.8 | ||||
| 115 | E | 42.1 | Very low | 37.5 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -81.2 | 162.3 | -173.8 | -91.4 | -170.8 | 98.8 | 0 | 0 | 113.4 | ||||
| 116 | P | 40.4 | Very low | 37.8 | Very low | 104 Ų | 104 | 155 Ų | 155 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | trans | -72.7 | 146.5 | -176.3 | 30.5 | -35.6 | 0 | 0 | 0 | 112.9 | ||||
| 117 | Q | 33.3 | Very low | 37.8 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -122 | 125.6 | 167.8 | -69.3 | -70.3 | -75.4 | 0 | 0 | 109.8 | ||||
| 118 | E | 42 | Very low | 37.9 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -72.4 | 127.9 | -174.4 | -62.2 | -83.9 | 124.2 | 0 | 0 | 112.4 | ||||
| 119 | T | 33.3 | Very low | 38 | Very low | 131 Ų | 131 | 159.9 Ų | 159.9 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -143.8 | 101.7 | 159.2 | 40.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 120 | S | 33.9 | Very low | 37.7 | Very low | 102 Ų | 102 | 162.5 Ų | 162.5 | 71% | 0.713 | 84% | 0.837 | S | S | * | * | trans | 27.5 | 112.4 | 143.5 | 61.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 121 | V | 42.8 | Very low | 37.5 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | 22.2 | 115.2 | 138.9 | -82.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 122 | S | 34.2 | Very low | 37.8 | Very low | 125 Ų | 125 | 157.4 Ų | 157.4 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -151.4 | 147.3 | 132.3 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | R124 | S122-R124 PolarHBondContact O-N 2.86Š| ||
| 123 | A | 44.3 | Very low | 38.3 | Very low | 99 Ų | 99 | 158.1 Ų | 158.1 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 124.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 124 | R | 37.1 | Very low | 38.5 | Very low | 242 Ų | 242 | 161.6 Ų | 161.6 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 125.9 | 176.9 | -145.5 | 175.4 | -155.1 | -100.5 | 4.8 | 110.7 | S122 | S122-R124 PolarHBondContact O-N 2.86Š|
| 125 | P | 43.1 | Very low | 38.6 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 147.5 | 179.7 | 27.5 | -33.8 | 0 | 0 | 0 | 111.9 | ||
| 126 | K | 44.7 | Very low | 38.5 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.8 | 176.9 | -71.1 | 174.4 | 177.8 | 172.7 | 0 | 110.9 | Q128 | K126-Q128 PolarHBondContact O-N 2.83Š|
| 127 | P | 37.1 | Very low | 38.8 | Very low | 131 Ų | 131 | 150 Ų | 150 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -65.9 | 106.5 | 175.2 | 27.3 | -33.5 | 0 | 0 | 0 | 110.3 | R129 | P127-R129 PolarHBondContact O-N 3.16Š| ||
| 128 | Q | 39.2 | Very low | 39.3 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -64.4 | 131.7 | 169.6 | -76.8 | 179.5 | -65.2 | 0 | 0 | 109.7 | K126 R130 | K126-Q128 PolarHBondContact O-N 2.83Å; Q128-R130 PolarHBondContact O-N 3.06Å; Q128-R130 VanDerWaalsContact O-N 3.11Å | ||
| 129 | R | 35.5 | Very low | 39.5 | Very low | 244 Ų | 244 | 148 Ų | 148 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -54.8 | 116.7 | 164.6 | -87.8 | 175.9 | 155.6 | -115.1 | 0.5 | 108.6 | P127 S131 | P127-R129 PolarHBondContact O-N 3.16Å; R129-S131 PolarHBondContact O-N 3.4Å | ||
| 130 | R | 32.7 | Very low | 40.2 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | trans | -64.4 | 107 | 163 | -74.6 | -173.7 | 176.8 | -130.4 | 0.3 | 108.3 | Q128 S132 | Q128-R130 PolarHBondContact O-N 3.06Å; Q128-R130 VanDerWaalsContact O-N 3.11Å; R130-S132 PolarHBondContact O-N 2.89Å | ||
| 131 | S | 33.6 | Very low | 40.9 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -66 | 96.2 | 165.6 | 48.1 | 0 | 0 | 0 | 0 | 108.5 | R129 S133 | R129-S131 PolarHBondContact O-N 3.4Å; S131-S133 PolarHBondContact O-N 2.78Å | ||
| 132 | S | 36.7 | Very low | 41.5 | Very low | 111 Ų | 111 | 155.2 Ų | 155.2 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -64.8 | 118.9 | 170.8 | -167.8 | 0 | 0 | 0 | 0 | 108.5 | R130 R134 | R130-S132 PolarHBondContact O-N 2.89Å; S132-R134 PolarHBondContact O-N 2.81Å | ||
| 133 | S | 42.2 | Very low | 42.1 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -64.3 | 107.1 | -178.4 | 45.6 | 0 | 0 | 0 | 0 | 109.8 | S131 G135 | S131-S133 PolarHBondContact O-N 2.78Å; S133-G135 PolarHBondContact O-N 2.98Å; S133-G135 VanDerWaalsContact O-N 3.16Å | ||
| 134 | R | 43.9 | Very low | 42.5 | Very low | 248 Ų | 248 | 155.1 Ų | 155.1 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62 | 116.7 | 165.1 | -67.4 | -179.4 | -176.5 | 172.5 | 0.6 | 107.1 | S132 | S132-R134 PolarHBondContact O-N 2.81Š|
| 135 | G | 37.7 | Very low | 43.2 | Very low | 70 Ų | 70 | 151 Ų | 151 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 146.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S133 | S133-G135 PolarHBondContact O-N 2.98Å; S133-G135 VanDerWaalsContact O-N 3.16Å |
| 136 | A | 40.6 | Very low | 43.4 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 143.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q138 | A136-Q138 PolarHBondContact O-N 3.16Š|
| 137 | G | 46.1 | Very low | 43.7 | Very low | 67 Ų | 67 | 147.2 Ų | 147.2 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T139 | G137-T139 VanDerWaalsContact C-N 3.33Å; G137-T139 PolarHBondContact O-N 3.29Å; G137-T139 VanDerWaalsContact O-N 3.07Å |
| 138 | Q | 45.6 | Very low | 44.2 | Very low | 199 Ų | 199 | 149.9 Ų | 149.9 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -72.4 | 94.3 | 157.8 | -67.3 | 178.4 | 35.8 | 0 | 0 | 107.5 | A136 M140 | A136-Q138 PolarHBondContact O-N 3.16Å; Q138-M140 PolarHBondContact O-N 3.14Å; Q138-M140 VanDerWaalsContact O-N 3.13Å | ||
| 139 | T | 45.5 | Very low | 44.5 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -66.4 | 107.4 | 169.9 | 49.4 | 0 | 0 | 0 | 0 | 108.5 | G137 C141 | G137-T139 VanDerWaalsContact C-N 3.33Å; G137-T139 PolarHBondContact O-N 3.29Å; G137-T139 VanDerWaalsContact O-N 3.07Å; T139-C141 PolarHBondContact O-N 3.06Å; T139-C141 VanDerWaalsContact O-N 3.14Å | ||
| 140 | M | 47.4 | Very low | 44.8 | Very low | 179 Ų | 179 | 142 Ų | 142 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 113.4 | 179.8 | -174.3 | -173.7 | -68.8 | 0 | 0 | 110.4 | Q138 R142 | Q138-M140 PolarHBondContact O-N 3.14Å; Q138-M140 VanDerWaalsContact O-N 3.13Å; M140-R142 PolarHBondContact O-N 3.25Å | ||
| 141 | C | 50 | Low | 45.6 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 119.3 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | T139 C143 | T139-C141 PolarHBondContact O-N 3.06Å; T139-C141 VanDerWaalsContact O-N 3.14Å; C141-C143 VanDerWaalsContact C-N 3.34Å; C141-C143 PolarHBondContact O-N 3.34Å | ||
| 142 | R | 54.2 | Low | 46.1 | Very low | 251 Ų | 251 | 141.8 Ų | 141.8 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | trans | -96.6 | 55.2 | -175.6 | -158.4 | 170.6 | -175.6 | 168.7 | 0.2 | 111.7 | M140 | M140-R142 PolarHBondContact O-N 3.25Š| ||
| 143 | C | 47.2 | Very low | 46.4 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 54% | 0.541 | 79% | 0.793 | S | S | . | * | trans | -99 | 133.6 | 178.9 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | C141 N145 | C141-C143 VanDerWaalsContact C-N 3.34Å; C141-C143 PolarHBondContact O-N 3.34Å; C143-N145 PolarHBondContact O-N 2.77Å | ||
| 144 | P | 52 | Low | 46.6 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 0.7 | -177.3 | -23 | 34.3 | 0 | 0 | 0 | 116.9 | ||
| 145 | N | 51.9 | Low | 46.5 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | 36.9 | -164.2 | -128.8 | -8.9 | 0 | 0 | 0 | 113.8 | C143 | C143-N145 PolarHBondContact O-N 2.77Š|
| 146 | C | 47.8 | Very low | 47.1 | Very low | 68 Ų | 68 | 139 Ų | 139 | 46% | 0.459 | 80% | 0.799 | S | S | . | * | trans | -92.8 | 133.9 | 173.8 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | H148 | C146-H148 PolarHBondContact O-N 2.8Š| ||
| 147 | I | 51.8 | Low | 47.4 | Very low | 159 Ų | 159 | 140 Ų | 140 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -78.3 | 49 | -175.4 | -39 | 178.4 | 0 | 0 | 0 | 112.1 | ||
| 148 | H | 47.6 | Very low | 47.7 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -126.3 | 18.8 | 173.1 | -71.6 | 160.6 | 0 | 0 | 0 | 111.7 | C146 | C146-H148 PolarHBondContact O-N 2.8Š| ||
| 149 | A | 45.3 | Very low | 48 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -94.7 | -3.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 150 | E | 41.8 | Very low | 48.6 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -97.6 | 0 | -165.2 | -79.8 | 177.5 | 92.9 | 0 | 0 | 116.6 | ||
| 151 | Q | 48.4 | Very low | 49 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -137.9 | 61.5 | 175.4 | -69.9 | -171.4 | -4.9 | 0 | 0 | 113.6 | ||
| 152 | M | 43.5 | Very low | 49.8 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -168.3 | 72 | 143.2 | -85.1 | -36.9 | 167.5 | 0 | 0 | 109.9 | Q154 | M152-Q154 VanDerWaalsContact C-N 3.34Å; M152-Q154 PolarHBondContact O-N 3.26Å | ||
| 153 | G | 44.5 | Very low | 50.7 | Low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -77.7 | 76.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 154 | Q | 45.3 | Very low | 52.4 | Low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -171.3 | 127.7 | 149 | -103.9 | 149.3 | 56.2 | 0 | 0 | 112.3 | M152 | M152-Q154 VanDerWaalsContact C-N 3.34Å; M152-Q154 PolarHBondContact O-N 3.26Å |
| 155 | S | 41.4 | Very low | 53.9 | Low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -31.8 | 131.3 | -179.8 | 50.4 | 0 | 0 | 0 | 0 | 117.5 | D157 | S155-D157 PolarHBondContact O-N 3.12Å; S155-D157 VanDerWaalsContact O-N 3.08Å | ||
| 156 | A | 51.5 | Low | 55.3 | Low | 113 Ų | 113 | 131.2 Ų | 131.2 | 93% | 0.934 | 71% | 0.71 | S | S | * | * | trans | -70.3 | 93 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 157 | D | 46 | Very low | 57 | Low | 123 Ų | 123 | 128.6 Ų | 128.6 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | trans | -94.6 | 127.1 | 156.4 | -173.7 | -97.6 | 0 | 0 | 0 | 108.5 | S155 S159 | S155-D157 PolarHBondContact O-N 3.12Å; S155-D157 VanDerWaalsContact O-N 3.08Å; D157-S159 VanDerWaalsContact C-N 3.27Å; D157-S159 PolarHBondContact O-N 3.47Å | ||
| 158 | D | 52.9 | Low | 58.3 | Low | 164 Ų | 164 | 129.9 Ų | 129.9 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | trans | -79.9 | 77.1 | -175.7 | -160.6 | -35.3 | 0 | 0 | 0 | 109.8 | ||||
| 159 | S | 52.6 | Low | 59.8 | Low | 80 Ų | 80 | 124 Ų | 124 | 56% | 0.559 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -150.3 | 145.9 | 167.8 | -96 | 0 | 0 | 0 | 0 | 114.2 | D157 T161 | D157-S159 VanDerWaalsContact C-N 3.27Å; D157-S159 PolarHBondContact O-N 3.47Å; S159-T161 PolarHBondContact O-N 3.5Å; S159-T161 PolarHBondContact O-OG1 3.15Å |
| 160 | R | 56.9 | Low | 60.6 | Low | 248 Ų | 248 | 125.9 Ų | 125.9 | 94% | 0.936 | 67% | 0.674 | S | S | * | * | trans | -77.1 | 55.1 | -171.8 | -162.2 | -179.2 | -162.7 | 156.9 | 3 | 111.2 | K162 | R160-K162 PolarHBondContact O-N 3.29Š| ||
| 161 | T | 55.9 | Low | 62 | Low | 127 Ų | 127 | 121.7 Ų | 121.7 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | trans | -71.4 | 73.1 | -173.9 | -48 | 0 | 0 | 0 | 0 | 110.8 | S159 H163 | S159-T161 PolarHBondContact O-N 3.5Å; S159-T161 PolarHBondContact O-OG1 3.15Å; T161-H163 PolarHBondContact O-N 3.42Å | ||
| 162 | K | 66.3 | Low | 63.4 | Low | 116 Ų | 116 | 114.1 Ų | 114.1 | 50% | 0.504 | 65% | 0.645 | S | S | . | * | trans | -59.6 | 106.8 | 176.9 | -175.9 | 174.4 | -177.4 | -157.6 | 0 | 108.5 | R160 M164 A177 | R160-K162 PolarHBondContact O-N 3.29Å; K162-M164 HydrophobicContact CB-CE 4.44Å; K162-M164 WeakPolarHBondContact O-CE 3.45Å; K162-M164 PolarHBondContact O-N 3.39Å; K162-M164 VanDerWaalsContact O-N 3.13Å; K162-A177 HydrophobicContact CD-CB 3.95Å; K162-A177 WeakPolarHBondContact CE-O 3.41Å; K162-A177 HydrophobicContact CG-CB 4.46Å; K162-A177 PolarHBondContact NZ-O 3.35Å | ||
| 163 | H | 74.6 | Confident | 65 | Low | 136 Ų | 136 | 109 Ų | 109 | 63% | 0.63 | 64% | 0.639 | S | S | * | * | trans | -45.3 | 120.1 | -178.3 | 175.5 | 89.9 | 0 | 0 | 0 | 110.9 | T161 H165 | T161-H163 PolarHBondContact O-N 3.42Å; H163-H165 AromaticContact CD2-CE1 3.39Å; H163-H165 PolarHBondContact CD2-CE1 3.17Å; H163-H165 AromaticContact CD2-ND1 3.64Å; H163-H165 AromaticContact CD2-NE2 3.97Å; H163-H165 AromaticContact NE2-CE1 3.79Å; H163-H165 AromaticContact NE2-ND1 3.67Å | ||
| 164 | M | 81.8 | Confident | 66.6 | Low | 89 Ų | 89 | 110.2 Ų | 110.2 | 44% | 0.438 | 62% | 0.622 | S | S | . | * | trans | -90.7 | 131.1 | -177.8 | -72.7 | -68.9 | 147.8 | 0 | 0 | 109.8 | K162 N166 A175 A177 | K162-M164 HydrophobicContact CB-CE 4.44Å; K162-M164 WeakPolarHBondContact O-CE 3.45Å; K162-M164 PolarHBondContact O-N 3.39Å; K162-M164 VanDerWaalsContact O-N 3.13Å; M164-N166 PolarHBondContact O-OD1 3.44Å; M164-A175 HydrophobicContact CB-CB 4.29Å; M164-A177 HydrophobicContact CE-CB 3.53Å; M164-A177 HydrophobicContact SD-CB 3.88Å; M164-A177 PolarHBondContact SD-N 2.98Å | ||
| 165 | H | 83.6 | Confident | 68.3 | Low | 47 Ų | 47 | 103.9 Ų | 103.9 | 22% | 0.218 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.2 | 104.4 | 175.7 | -56.4 | -75 | 0 | 0 | 0 | 109 | H163 Y176 K178 T179 L182 | H163-H165 AromaticContact CD2-CE1 3.39Å; H163-H165 PolarHBondContact CD2-CE1 3.17Å; H163-H165 AromaticContact CD2-ND1 3.64Å; H163-H165 AromaticContact CD2-NE2 3.97Å; H163-H165 AromaticContact NE2-CE1 3.79Å; H163-H165 AromaticContact NE2-ND1 3.67Å; H165-Y176 WeakPolarHBondContact CB-O 3.4Å; H165-Y176 PolarHBondContact CD2-O 3.07Å; H165-Y176 PolarHBondContact N-O 3.03Å; H165-Y176 PolarHBondContact O-N 3.48Å; H165-K178 VanDerWaalsContact CD2-C 3.41Å; H165-T179 PolarHBondContact CD2-N 2.84Å; H165-T179 WeakPolarHBondContact CE1-CG2 3.48Å; H165-T179 WeakPolarHBondContact NE2-CG2 3.42Å; H165-T179 PolarHBondContact NE2-N 3.2Å; H165-L182 HydrophobicContact CB-CB 3.99Å; H165-L182 HydrophobicContact CB-CD2 3.66Å; H165-L182 HydrophobicContact CB-CG 4.42Å |
| 166 | N | 82.3 | Confident | 70.3 | Confident | 108 Ų | 108 | 101.2 Ų | 101.2 | 58% | 0.578 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.3 | 146.8 | -176.1 | -67.4 | 19.7 | 0 | 0 | 0 | 111.5 | M164 A175 L182 | M164-N166 PolarHBondContact O-OD1 3.44Å; N166-A175 VanDerWaalsContact OD1-CB 3.24Å; N166-A175 WeakPolarHBondContact OD1-CB 3.41Å; N166-L182 WeakPolarHBondContact O-CD2 3.44Å |
| 167 | C | 82.7 | Confident | 71.9 | Confident | 12 Ų | 12 | 97.4 Ų | 97.4 | 8% | 0.081 | 54% | 0.543 | C | S | . | . | trans | -77.3 | 120.4 | 170.8 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | I169 C172 K174 L182 H185 H189 | C167-I169 VanDerWaalsContact C-N 3.28Å; C167-I169 PolarHBondContact O-N 2.95Å; C167-C172 HydrophobicContact CB-CB 4.38Å; C167-K174 WeakPolarHBondContact CB-O 3.42Å; C167-K174 PolarHBondContact N-O 3.09Å; C167-L182 HydrophobicContact CB-CD1 4.03Å; C167-H185 PolarHBondContact SG-NE2 3.47Å; C167-H189 PolarHBondContact SG-NE2 3.4Å | ||
| 168 | H | 80.4 | Confident | 73.5 | Confident | 186 Ų | 186 | 96.8 Ų | 96.8 | 86% | 0.861 | 54% | 0.535 | S | S | * | . | trans | -78.7 | -9.1 | 179.7 | -174.5 | 68.4 | 0 | 0 | 0 | 113.4 | ||||
| 169 | I | 77.6 | Confident | 74.8 | Confident | 65 Ų | 65 | 92.7 Ų | 92.7 | 33% | 0.333 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -64.9 | 124 | 179.5 | -57.3 | -77.1 | 0 | 0 | 0 | 109.4 | C167 G171 C172 L186 H189 | C167-I169 VanDerWaalsContact C-N 3.28Å; C167-I169 PolarHBondContact O-N 2.95Å; I169-G171 PolarHBondContact O-N 3.39Å; I169-C172 HydrophobicContact CB-CB 4.15Å; I169-C172 HydrophobicContact CG2-CB 4.48Å; I169-C172 WeakPolarHBondContact O-CB 3.48Å; I169-C172 PolarHBondContact O-N 2.91Å; I169-C172 VanDerWaalsContact O-N 3.12Å; I169-L186 HydrophobicContact CG1-CD2 4.13Å; I169-H189 HydrophobicContact CD1-CB 4.08Å; I169-H189 HydrophobicContact CG1-CB 4.1Å |
| 170 | P | 63.1 | Low | 76.1 | Confident | 124 Ų | 124 | 92 Ų | 92 | 81% | 0.805 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 138.5 | -179.9 | 23.5 | -33.6 | 0 | 0 | 0 | 111.1 | C172 | P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.09Å |
| 171 | G | 70.2 | Confident | 77.2 | Confident | 91 Ų | 91 | 84 Ų | 84 | 94% | 0.938 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -4.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | I169 | I169-G171 PolarHBondContact O-N 3.39Š|
| 172 | C | 77.8 | Confident | 78.3 | Confident | 19 Ų | 19 | 79.1 Ų | 79.1 | 13% | 0.128 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -47 | -179.5 | -168.3 | 0 | 0 | 0 | 0 | 114.3 | C167 I169 P170 K174 H185 H189 | C167-C172 HydrophobicContact CB-CB 4.38Å; I169-C172 HydrophobicContact CB-CB 4.15Å; I169-C172 HydrophobicContact CG2-CB 4.48Å; I169-C172 WeakPolarHBondContact O-CB 3.48Å; I169-C172 PolarHBondContact O-N 2.91Å; I169-C172 VanDerWaalsContact O-N 3.12Å; P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.09Å; C172-K174 PolarHBondContact O-N 2.68Å; C172-H185 VanDerWaalsContact SG-CE1 3.51Å; C172-H185 PolarHBondContact SG-NE2 3.3Å; C172-H189 WeakPolarHBondContact CB-CE1 3.5Å; C172-H189 WeakPolarHBondContact CB-NE2 3.47Å; C172-H189 PolarHBondContact SG-CE1 3.09Å; C172-H189 PolarHBondContact SG-NE2 2.68Å |
| 173 | G | 77.1 | Confident | 78.9 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 75% | 0.753 | 46% | 0.46 | S | S | * | . | trans | 64.4 | 1.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 174 | K | 78.4 | Confident | 78.9 | Confident | 101 Ų | 101 | 74.8 Ų | 74.8 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | trans | -80.5 | 137.4 | -174 | -67.2 | 174.9 | -169.7 | 175.7 | 0 | 112.4 | C167 C172 Y176 | C167-K174 WeakPolarHBondContact CB-O 3.42Å; C167-K174 PolarHBondContact N-O 3.09Å; C172-K174 PolarHBondContact O-N 2.68Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å; K174-Y176 WeakPolarHBondContact CD-OH 3.32Å | ||
| 175 | A | 82 | Confident | 78.7 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M164 N166 | M164-A175 HydrophobicContact CB-CB 4.29Å; N166-A175 VanDerWaalsContact OD1-CB 3.24Å; N166-A175 WeakPolarHBondContact OD1-CB 3.41Å |
| 176 | Y | 83.3 | Confident | 78.3 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 21% | 0.208 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.7 | -171.8 | -64.2 | -85.2 | 0 | 0 | 0 | 112.9 | H165 K174 K178 H181 L182 H185 | H165-Y176 WeakPolarHBondContact CB-O 3.4Å; H165-Y176 PolarHBondContact CD2-O 3.07Å; H165-Y176 PolarHBondContact N-O 3.03Å; H165-Y176 PolarHBondContact O-N 3.48Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å; K174-Y176 WeakPolarHBondContact CD-OH 3.32Å; Y176-K178 PolarHBondContact O-N 3.1Å; Y176-H181 HydrophobicContact CD1-CB 3.78Å; Y176-H181 HydrophobicContact CG-CB 4.2Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 3.86Å; Y176-L182 HydrophobicContact CE2-CD1 4.25Å; Y176-L182 HydrophobicContact CG-CB 4.37Å; Y176-H185 HydrophobicContact CD2-CB 4.48Å; Y176-H185 HydrophobicContact CE1-CB 4.24Å; Y176-H185 HydrophobicContact CE2-CB 3.72Å; Y176-H185 AromaticContact CE2-CD2 3.31Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.3Å; Y176-H185 AromaticContact CE2-CG 3.54Å; Y176-H185 AromaticContact CZ-CD2 3.76Å; Y176-H185 AromaticContact CZ-CG 3.51Å; Y176-H185 PolarHBondContact OH-ND1 2.93Å |
| 177 | A | 83.6 | Confident | 77.7 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 26% | 0.264 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -70.3 | 3.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K162 M164 | K162-A177 HydrophobicContact CD-CB 3.95Å; K162-A177 WeakPolarHBondContact CE-O 3.41Å; K162-A177 HydrophobicContact CG-CB 4.46Å; K162-A177 PolarHBondContact NZ-O 3.35Å; M164-A177 HydrophobicContact CE-CB 3.53Å; M164-A177 HydrophobicContact SD-CB 3.88Å; M164-A177 PolarHBondContact SD-N 2.98Å |
| 178 | K | 81.5 | Confident | 76.8 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 48% | 0.478 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -148.3 | 135.6 | 177.7 | -68.9 | -172.3 | 178.5 | -177.2 | 0 | 109.6 | H165 Y176 S180 H181 L182 | H165-K178 VanDerWaalsContact CD2-C 3.41Å; Y176-K178 PolarHBondContact O-N 3.1Å; K178-S180 PolarHBondContact O-N 2.8Å; K178-H181 HydrophobicContact CB-CB 4.41Å; K178-H181 PolarHBondContact O-N 3.03Å; K178-L182 PolarHBondContact O-N 3.27Å |
| 179 | T | 79.8 | Confident | 76.2 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -52.3 | -40 | 173.3 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | H165 H181 L182 K183 | H165-T179 PolarHBondContact CD2-N 2.84Å; H165-T179 WeakPolarHBondContact CE1-CG2 3.48Å; H165-T179 WeakPolarHBondContact NE2-CG2 3.42Å; H165-T179 PolarHBondContact NE2-N 3.2Å; T179-H181 VanDerWaalsContact C-N 3.29Å; T179-H181 PolarHBondContact O-N 3.41Å; T179-L182 PolarHBondContact O-N 3.23Å; T179-K183 WeakPolarHBondContact O-CG 3.43Å; T179-K183 PolarHBondContact O-N 3.2Å |
| 180 | S | 78.5 | Confident | 75.6 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 178.5 | 58 | 0 | 0 | 0 | 0 | 113.1 | K178 A184 | K178-S180 PolarHBondContact O-N 2.8Å; S180-A184 WeakPolarHBondContact O-CB 3.36Å; S180-A184 PolarHBondContact O-N 3.42Å |
| 181 | H | 79.9 | Confident | 75.5 | Confident | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.366 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -75 | -39.3 | 176.7 | -66 | -168.6 | 0 | 0 | 0 | 111.1 | Y176 K178 T179 A184 H185 | Y176-H181 HydrophobicContact CD1-CB 3.78Å; Y176-H181 HydrophobicContact CG-CB 4.2Å; K178-H181 HydrophobicContact CB-CB 4.41Å; K178-H181 PolarHBondContact O-N 3.03Å; T179-H181 VanDerWaalsContact C-N 3.29Å; T179-H181 PolarHBondContact O-N 3.41Å; H181-A184 PolarHBondContact O-N 3.32Å; H181-H185 WeakPolarHBondContact O-CB 3.35Å; H181-H185 PolarHBondContact O-N 2.82Å |
| 182 | L | 80.6 | Confident | 75 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 171.7 | 176.9 | 62.6 | 0 | 0 | 0 | 111.1 | H165 N166 C167 Y176 K178 T179 A184 H185 L186 | H165-L182 HydrophobicContact CB-CB 3.99Å; H165-L182 HydrophobicContact CB-CD2 3.66Å; H165-L182 HydrophobicContact CB-CG 4.42Å; N166-L182 WeakPolarHBondContact O-CD2 3.44Å; C167-L182 HydrophobicContact CB-CD1 4.03Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 3.86Å; Y176-L182 HydrophobicContact CE2-CD1 4.25Å; Y176-L182 HydrophobicContact CG-CB 4.37Å; K178-L182 PolarHBondContact O-N 3.27Å; T179-L182 PolarHBondContact O-N 3.23Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 2.85Å; L182-H185 CarbonylContact O-C 3.55Å; L182-H185 WeakPolarHBondContact O-CA 3.4Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 2.78Å; L182-L186 HydrophobicContact CD1-CD1 4.23Å; L182-L186 HydrophobicContact CD1-CD2 4.42Å; L182-L186 HydrophobicContact CD1-CG 4.03Å; L182-L186 HydrophobicContact CD2-CD1 4.49Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.25Å; L182-L186 WeakPolarHBondContact O-CG 3.23Å; L182-L186 PolarHBondContact O-N 3.19Å |
| 183 | K | 78 | Confident | 74.4 | Confident | 146 Ų | 146 | 75 Ų | 75 | 64% | 0.635 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.9 | -42.7 | 176.7 | -73.8 | -175.8 | 177.4 | -172.1 | 0 | 112.1 | T179 H185 L186 R187 | T179-K183 WeakPolarHBondContact O-CG 3.43Å; T179-K183 PolarHBondContact O-N 3.2Å; K183-H185 VanDerWaalsContact C-N 3.3Å; K183-H185 PolarHBondContact O-N 3.13Å; K183-L186 PolarHBondContact O-N 3.44Å; K183-R187 PolarHBondContact O-N 3.07Å |
| 184 | A | 74.6 | Confident | 74 | Confident | 14 Ų | 14 | 75 Ų | 75 | 12% | 0.116 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.1 | -29.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S180 H181 L182 R208 | S180-A184 WeakPolarHBondContact O-CB 3.36Å; S180-A184 PolarHBondContact O-N 3.42Å; H181-A184 PolarHBondContact O-N 3.32Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 2.85Å; A184-R208 HydrophobicContact CB-CG 3.91Å |
| 185 | H | 78.1 | Confident | 73.6 | Confident | 18 Ų | 18 | 73 Ų | 73 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -74.7 | -41.3 | 173.3 | 168.4 | 52.8 | 0 | 0 | 0 | 112.7 | C167 C172 Y176 H181 L182 K183 R187 W188 H189 | C167-H185 PolarHBondContact SG-NE2 3.47Å; C172-H185 VanDerWaalsContact SG-CE1 3.51Å; C172-H185 PolarHBondContact SG-NE2 3.3Å; Y176-H185 HydrophobicContact CD2-CB 4.48Å; Y176-H185 HydrophobicContact CE1-CB 4.24Å; Y176-H185 HydrophobicContact CE2-CB 3.72Å; Y176-H185 AromaticContact CE2-CD2 3.31Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.3Å; Y176-H185 AromaticContact CE2-CG 3.54Å; Y176-H185 AromaticContact CZ-CD2 3.76Å; Y176-H185 AromaticContact CZ-CG 3.51Å; Y176-H185 PolarHBondContact OH-ND1 2.93Å; H181-H185 WeakPolarHBondContact O-CB 3.35Å; H181-H185 PolarHBondContact O-N 2.82Å; L182-H185 CarbonylContact O-C 3.55Å; L182-H185 WeakPolarHBondContact O-CA 3.4Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 2.78Å; K183-H185 VanDerWaalsContact C-N 3.3Å; K183-H185 PolarHBondContact O-N 3.13Å; H185-R187 PolarHBondContact O-N 3.14Å; H185-W188 WeakPolarHBondContact O-CB 3.42Å; H185-W188 PolarHBondContact O-N 3.39Å; H185-H189 AromaticContact CD2-NE2 3.59Å; H185-H189 AromaticContact CE1-CD2 3.62Å; H185-H189 AromaticContact CE1-NE2 2.64Å; H185-H189 PolarHBondContact CE1-NE2 2.68Å; H185-H189 AromaticContact ND1-NE2 3.85Å; H185-H189 AromaticContact NE2-CD2 3.6Å; H185-H189 AromaticContact NE2-NE2 2.38Å; H185-H189 PolarHBondContact NE2-NE2 3.41Å |
| 186 | L | 74.3 | Confident | 72.9 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -30.7 | 178.4 | -70.7 | 170.1 | 0 | 0 | 0 | 112.3 | I169 L182 K183 W188 H189 S190 | I169-L186 HydrophobicContact CG1-CD2 4.13Å; L182-L186 HydrophobicContact CD1-CD1 4.23Å; L182-L186 HydrophobicContact CD1-CD2 4.42Å; L182-L186 HydrophobicContact CD1-CG 4.03Å; L182-L186 HydrophobicContact CD2-CD1 4.49Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.25Å; L182-L186 WeakPolarHBondContact O-CG 3.23Å; L182-L186 PolarHBondContact O-N 3.19Å; K183-L186 PolarHBondContact O-N 3.44Å; L186-W188 PolarHBondContact O-N 2.75Å; L186-H189 PolarHBondContact O-N 2.7Å; L186-S190 PolarHBondContact O-N 3.18Å |
| 187 | R | 70.6 | Confident | 72.6 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.9 | -25.9 | 168.7 | -75.8 | 178.4 | -173.4 | 161.1 | 0.5 | 114.6 | K183 H185 G191 D192 T207 | K183-R187 PolarHBondContact O-N 3.07Å; H185-R187 PolarHBondContact O-N 3.14Å; R187-G191 CarbonylContact O-C 3.51Å; R187-G191 PolarHBondContact O-N 3.35Å; R187-D192 HydrophobicContact CB-CB 4.48Å; R187-D192 WeakPolarHBondContact CB-O 3.27Å; R187-D192 HydrophobicContact CG-CB 4.22Å; R187-D192 PolarHBondContact O-N 2.82Å; R187-T207 HydrophobicContact CB-CG2 3.92Å; R187-T207 WeakPolarHBondContact CD-O 3.05Å; R187-T207 PolarHBondContact NH1-O 3.21Å |
| 188 | W | 63 | Low | 71.9 | Confident | 158 Ų | 158 | 77.3 Ų | 77.3 | 60% | 0.598 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -72.2 | -34.4 | 173.5 | -177.5 | 82.6 | 0 | 0 | 0 | 112 | H185 L186 | H185-W188 WeakPolarHBondContact O-CB 3.42Å; H185-W188 PolarHBondContact O-N 3.39Å; L186-W188 PolarHBondContact O-N 2.75Å |
| 189 | H | 69.4 | Low | 71.2 | Confident | 68 Ų | 68 | 76.9 Ų | 76.9 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.9 | -38.7 | 175.6 | -66.8 | -74.6 | 0 | 0 | 0 | 112.6 | C167 I169 C172 H185 L186 G191 | C167-H189 PolarHBondContact SG-NE2 3.4Å; I169-H189 HydrophobicContact CD1-CB 4.08Å; I169-H189 HydrophobicContact CG1-CB 4.1Å; C172-H189 WeakPolarHBondContact CB-CE1 3.5Å; C172-H189 WeakPolarHBondContact CB-NE2 3.47Å; C172-H189 PolarHBondContact SG-CE1 3.09Å; C172-H189 PolarHBondContact SG-NE2 2.68Å; H185-H189 AromaticContact CD2-NE2 3.59Å; H185-H189 AromaticContact CE1-CD2 3.62Å; H185-H189 AromaticContact CE1-NE2 2.64Å; H185-H189 PolarHBondContact CE1-NE2 2.68Å; H185-H189 AromaticContact ND1-NE2 3.85Å; H185-H189 AromaticContact NE2-CD2 3.6Å; H185-H189 AromaticContact NE2-NE2 2.38Å; H185-H189 PolarHBondContact NE2-NE2 3.41Å; L186-H189 PolarHBondContact O-N 2.7Å; H189-G191 PolarHBondContact O-N 3.44Å |
| 190 | S | 64.6 | Low | 70.2 | Confident | 82 Ų | 82 | 81.5 Ų | 81.5 | 57% | 0.573 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.3 | -14.8 | 177.3 | -156.2 | 0 | 0 | 0 | 0 | 113.3 | L186 D192 | L186-S190 PolarHBondContact O-N 3.18Å; S190-D192 WeakPolarHBondContact CB-OD2 3.43Å; S190-D192 PolarHBondContact O-N 2.89Å; S190-D192 VanDerWaalsContact O-N 3.15Å; S190-D192 PolarHBondContact OG-OD2 3.27Å |
| 191 | G | 60.5 | Low | 69.4 | Low | 51 Ų | 51 | 85.1 Ų | 85.1 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | trans | 73.8 | -9.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R187 H189 R193 | R187-G191 CarbonylContact O-C 3.51Å; R187-G191 PolarHBondContact O-N 3.35Å; H189-G191 PolarHBondContact O-N 3.44Å; G191-R193 PolarHBondContact O-N 3.01Å | ||
| 192 | D | 59.8 | Low | 69.1 | Low | 92 Ų | 92 | 82.4 Ų | 82.4 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | trans | -57.5 | 95.3 | 178.3 | -76.2 | -53.7 | 0 | 0 | 0 | 112.9 | R187 S190 P194 | R187-D192 HydrophobicContact CB-CB 4.48Å; R187-D192 WeakPolarHBondContact CB-O 3.27Å; R187-D192 HydrophobicContact CG-CB 4.22Å; R187-D192 PolarHBondContact O-N 2.82Å; S190-D192 WeakPolarHBondContact CB-OD2 3.43Å; S190-D192 PolarHBondContact O-N 2.89Å; S190-D192 VanDerWaalsContact O-N 3.15Å; S190-D192 PolarHBondContact OG-OD2 3.27Å; D192-P194 VanDerWaalsContact C-CD 3.41Å; D192-P194 WeakPolarHBondContact O-CD 3.39Å | ||
| 193 | R | 65.8 | Low | 68.2 | Low | 122 Ų | 122 | 83.6 Ų | 83.6 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | trans | -109.5 | 81.6 | 172.2 | -66.7 | 168.1 | 163.9 | -170.9 | -5.8 | 109.2 | G191 F195 R205 F206 T207 | G191-R193 PolarHBondContact O-N 3.01Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.3Å; R193-R205 HydrophobicContact CB-CB 3.48Å; R193-R205 VanDerWaalsContact CB-CB 3.48Å; R193-R205 WeakPolarHBondContact CD-O 3.16Å; R193-R205 HydrophobicContact CG-CB 4.3Å; R193-R205 PolarHBondContact O-NE 3.43Å; R193-R205 PolarHBondContact O-NH2 2.97Å; R193-F206 CarbonylContact C-O 3.56Å; R193-F206 WeakPolarHBondContact CA-O 3.49Å; R193-T207 HydrophobicContact CG-CG2 4.09Å | ||
| 194 | P | 66.9 | Low | 67.8 | Low | 73 Ų | 73 | 81.3 Ų | 81.3 | 47% | 0.474 | 42% | 0.422 | S | S | . | . | trans | -73.7 | -18.4 | -175.9 | 29.3 | -35.8 | 0 | 0 | 0 | 113.2 | D192 | D192-P194 VanDerWaalsContact C-CD 3.41Å; D192-P194 WeakPolarHBondContact O-CD 3.39Å | ||
| 195 | F | 70.7 | Confident | 67.7 | Low | 59 Ų | 59 | 86.9 Ų | 86.9 | 26% | 0.259 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 101.5 | -179.5 | -57.8 | -75.1 | 0 | 0 | 0 | 109.8 | R193 R205 F206 T207 R208 L212 | R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.3Å; F195-R205 CarbonylContact O-C 3.57Å; F195-R205 WeakPolarHBondContact O-CA 3.43Å; F195-F206 HydrophobicContact CB-CB 4.22Å; F195-F206 PolarHBondContact N-O 3.29Å; F195-F206 PolarHBondContact O-N 3.16Å; F195-T207 WeakPolarHBondContact CE2-O 3.37Å; F195-R208 VanDerWaalsContact CD2-CA 3.49Å; F195-L212 HydrophobicContact CB-CB 4.04Å; F195-L212 HydrophobicContact CB-CD2 3.88Å |
| 196 | V | 67.3 | Low | 67.7 | Low | 65 Ų | 65 | 87.3 Ų | 87.3 | 39% | 0.394 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139.1 | -178.7 | -173.3 | 0 | 0 | 0 | 0 | 110 | N198 R205 L212 | V196-N198 PolarHBondContact O-N 3.13Å; V196-R205 HydrophobicContact CB-CG 4.48Å; V196-R205 HydrophobicContact CG1-CG 4.16Å; V196-R205 HydrophobicContact CG2-CG 4Å; V196-L212 WeakPolarHBondContact O-CD2 3.42Å |
| 197 | C | 76.9 | Confident | 67.5 | Low | 3 Ų | 3 | 85.2 Ų | 85.2 | 2% | 0.02 | 43% | 0.431 | C | S | . | . | trans | -71.1 | 109.3 | 165.7 | -171.7 | 0 | 0 | 0 | 0 | 108.8 | W199 C202 K204 F206 L212 H215 H219 | C197-W199 PolarHBondContact O-N 2.54Å; C197-W199 WeakPolarHBondContact SG-CB 3.44Å; C197-C202 HydrophobicContact CB-CB 4.45Å; C197-K204 HydrophobicContact CB-CB 4.38Å; C197-K204 WeakPolarHBondContact CB-O 3.42Å; C197-K204 PolarHBondContact N-O 3.23Å; C197-F206 HydrophobicContact CB-CE2 4.43Å; C197-L212 HydrophobicContact CB-CD1 4.05Å; C197-H215 PolarHBondContact SG-NE2 3.04Å; C197-H219 PolarHBondContact SG-NE2 2.82Å | ||
| 198 | N | 68.6 | Low | 67.6 | Low | 159 Ų | 159 | 85.6 Ų | 85.6 | 85% | 0.85 | 43% | 0.433 | S | S | * | . | trans | -71.7 | 7.5 | 179 | -154.1 | 40.4 | 0 | 0 | 0 | 113.6 | V196 L200 | V196-N198 PolarHBondContact O-N 3.13Å; N198-L200 PolarHBondContact O-N 3.29Å | ||
| 199 | W | 67.2 | Low | 68.1 | Low | 100 Ų | 100 | 81.2 Ų | 81.2 | 38% | 0.379 | 43% | 0.427 | S | S | . | . | trans | -78.1 | 116.3 | 174.8 | -169.1 | -71 | 0 | 0 | 0 | 109.1 | C197 F201 C202 H219 | C197-W199 PolarHBondContact O-N 2.54Å; C197-W199 WeakPolarHBondContact SG-CB 3.44Å; W199-F201 VanDerWaalsContact C-N 3.33Å; W199-F201 AromaticContact CD1-CD1 3.94Å; W199-F201 AromaticContact CD1-CD2 3.72Å; W199-F201 AromaticContact CD1-CE2 3.83Å; W199-F201 AromaticContact CD1-CG 3.81Å; W199-F201 AromaticContact CE2-CE1 3.87Å; W199-F201 AromaticContact CE2-CZ 3.64Å; W199-F201 HydrophobicContact CZ2-CE1 4.1Å; W199-F201 HydrophobicContact CZ2-CE2 4.5Å; W199-F201 AromaticContact CZ2-CZ 3.78Å; W199-F201 HydrophobicContact CZ2-CZ 3.78Å; W199-F201 AromaticContact NE1-CD1 3.37Å; W199-F201 AromaticContact NE1-CD2 3.43Å; W199-F201 AromaticContact NE1-CE1 3.05Å; W199-F201 AromaticContact NE1-CE2 3.1Å; W199-F201 AromaticContact NE1-CG 3.58Å; W199-F201 AromaticContact NE1-CZ 2.94Å; W199-F201 PolarHBondContact O-N 3.31Å; W199-F201 VanDerWaalsContact O-N 3.16Å; W199-C202 HydrophobicContact CB-CB 3.88Å; W199-C202 HydrophobicContact CG-CB 4.24Å; W199-C202 WeakPolarHBondContact O-CB 3.29Å; W199-C202 PolarHBondContact O-N 2.83Å; W199-H219 AromaticContact CD1-CE1 3.63Å; W199-H219 HydrophobicContact CD2-CB 4.2Å; W199-H219 AromaticContact CD2-CG 3.81Å; W199-H219 AromaticContact CD2-ND1 3.67Å; W199-H219 AromaticContact CE2-ND1 3.88Å; W199-H219 HydrophobicContact CE3-CB 3.66Å; W199-H219 AromaticContact CE3-CG 3.72Å; W199-H219 AromaticContact CG-CE1 3.81Å; W199-H219 AromaticContact CG-ND1 3.88Å; W199-H219 HydrophobicContact CH2-CB 4.24Å; W199-H219 HydrophobicContact CZ3-CB 3.68Å | ||
| 200 | L | 58.6 | Low | 68.3 | Low | 177 Ų | 177 | 82 Ų | 82 | 93% | 0.927 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -41.1 | -162.4 | -168.8 | 65.4 | 0 | 0 | 0 | 114.3 | N198 | N198-L200 PolarHBondContact O-N 3.29Š|
| 201 | F | 61.3 | Low | 68.9 | Low | 141 Ų | 141 | 80.9 Ų | 80.9 | 62% | 0.618 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 9.3 | 177.6 | 58.8 | -107.5 | 0 | 0 | 0 | 115 | W199 P268 | W199-F201 VanDerWaalsContact C-N 3.33Å; W199-F201 AromaticContact CD1-CD1 3.94Å; W199-F201 AromaticContact CD1-CD2 3.72Å; W199-F201 AromaticContact CD1-CE2 3.83Å; W199-F201 AromaticContact CD1-CG 3.81Å; W199-F201 AromaticContact CE2-CE1 3.87Å; W199-F201 AromaticContact CE2-CZ 3.64Å; W199-F201 HydrophobicContact CZ2-CE1 4.1Å; W199-F201 HydrophobicContact CZ2-CE2 4.5Å; W199-F201 AromaticContact CZ2-CZ 3.78Å; W199-F201 HydrophobicContact CZ2-CZ 3.78Å; W199-F201 AromaticContact NE1-CD1 3.37Å; W199-F201 AromaticContact NE1-CD2 3.43Å; W199-F201 AromaticContact NE1-CE1 3.05Å; W199-F201 AromaticContact NE1-CE2 3.1Å; W199-F201 AromaticContact NE1-CG 3.58Å; W199-F201 AromaticContact NE1-CZ 2.94Å; W199-F201 PolarHBondContact O-N 3.31Å; W199-F201 VanDerWaalsContact O-N 3.16Å; F201-P268 HydrophobicContact CD2-CG 4.36Å |
| 202 | C | 75.1 | Confident | 69.8 | Low | 22 Ų | 22 | 79.5 Ų | 79.5 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -48.6 | -178 | -157.7 | 0 | 0 | 0 | 0 | 113.7 | C197 W199 K204 H215 H219 | C197-C202 HydrophobicContact CB-CB 4.45Å; W199-C202 HydrophobicContact CB-CB 3.88Å; W199-C202 HydrophobicContact CG-CB 4.24Å; W199-C202 WeakPolarHBondContact O-CB 3.29Å; W199-C202 PolarHBondContact O-N 2.83Å; C202-K204 PolarHBondContact O-N 2.83Å; C202-H215 VanDerWaalsContact SG-CE1 3.53Å; C202-H215 PolarHBondContact SG-NE2 2.83Å; C202-H219 WeakPolarHBondContact CB-CE1 3.28Å; C202-H219 WeakPolarHBondContact CB-NE2 3.36Å; C202-H219 PolarHBondContact SG-CE1 2.93Å; C202-H219 PolarHBondContact SG-NE2 2.79Å |
| 203 | G | 60.8 | Low | 70.6 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 52% | 0.515 | 40% | 0.395 | S | S | . | . | trans | 59.2 | 2.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117 | R205 | G203-R205 WeakPolarHBondContact O-CG 3.27Å; G203-R205 PolarHBondContact O-N 2.64Å | ||
| 204 | K | 69.7 | Low | 71.1 | Confident | 98 Ų | 98 | 78.2 Ų | 78.2 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | trans | -67.9 | 132.2 | -173.7 | -69.8 | 176.9 | -169.8 | 169.3 | 0 | 110.9 | C197 C202 F206 | C197-K204 HydrophobicContact CB-CB 4.38Å; C197-K204 WeakPolarHBondContact CB-O 3.42Å; C197-K204 PolarHBondContact N-O 3.23Å; C202-K204 PolarHBondContact O-N 2.83Å; K204-F206 HydrophobicContact CB-CE2 3.69Å; K204-F206 HydrophobicContact CB-CZ 3.68Å; K204-F206 WeakPolarHBondContact O-CE2 3.35Å | ||
| 205 | R | 73.1 | Confident | 71.8 | Confident | 132 Ų | 132 | 75.2 Ų | 75.2 | 50% | 0.498 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.6 | -179 | -49.1 | -177.8 | 60.1 | 163.5 | 0.9 | 110.9 | R193 F195 V196 G203 | R193-R205 HydrophobicContact CB-CB 3.48Å; R193-R205 VanDerWaalsContact CB-CB 3.48Å; R193-R205 WeakPolarHBondContact CD-O 3.16Å; R193-R205 HydrophobicContact CG-CB 4.3Å; R193-R205 PolarHBondContact O-NE 3.43Å; R193-R205 PolarHBondContact O-NH2 2.97Å; F195-R205 CarbonylContact O-C 3.57Å; F195-R205 WeakPolarHBondContact O-CA 3.43Å; V196-R205 HydrophobicContact CB-CG 4.48Å; V196-R205 HydrophobicContact CG1-CG 4.16Å; V196-R205 HydrophobicContact CG2-CG 4Å; G203-R205 WeakPolarHBondContact O-CG 3.27Å; G203-R205 PolarHBondContact O-N 2.64Å |
| 206 | F | 76.5 | Confident | 72.1 | Confident | 27 Ų | 27 | 74.8 Ų | 74.8 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 155.5 | -172.5 | -56.2 | -84.4 | 0 | 0 | 0 | 111.4 | R193 F195 C197 K204 E211 L212 H215 | R193-F206 CarbonylContact C-O 3.56Å; R193-F206 WeakPolarHBondContact CA-O 3.49Å; F195-F206 HydrophobicContact CB-CB 4.22Å; F195-F206 PolarHBondContact N-O 3.29Å; F195-F206 PolarHBondContact O-N 3.16Å; C197-F206 HydrophobicContact CB-CE2 4.43Å; K204-F206 HydrophobicContact CB-CE2 3.69Å; K204-F206 HydrophobicContact CB-CZ 3.68Å; K204-F206 WeakPolarHBondContact O-CE2 3.35Å; F206-E211 HydrophobicContact CB-CB 4.23Å; F206-E211 HydrophobicContact CB-CG 4.47Å; F206-E211 HydrophobicContact CD1-CB 4.18Å; F206-E211 HydrophobicContact CD1-CG 3.58Å; F206-E211 HydrophobicContact CE1-CG 4.23Å; F206-E211 HydrophobicContact CG-CB 4.43Å; F206-E211 HydrophobicContact CG-CG 4.3Å; F206-L212 HydrophobicContact CB-CB 4.47Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.94Å; F206-L212 HydrophobicContact CE2-CD1 4.08Å; F206-L212 HydrophobicContact CG-CB 4.4Å; F206-H215 HydrophobicContact CE1-CB 4.17Å; F206-H215 HydrophobicContact CE2-CB 4.01Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.45Å; F206-H215 AromaticContact CE2-CG 3.83Å; F206-H215 HydrophobicContact CZ-CB 3.58Å; F206-H215 AromaticContact CZ-CD2 3.29Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.45Å; F206-H215 AromaticContact CZ-CG 3.43Å; F206-H215 VanDerWaalsContact CZ-CG 3.43Å |
| 207 | T | 71.4 | Confident | 72.4 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 13% | 0.129 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -88.9 | -11.8 | 179.1 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | R187 R193 F195 | R187-T207 HydrophobicContact CB-CG2 3.92Å; R187-T207 WeakPolarHBondContact CD-O 3.05Å; R187-T207 PolarHBondContact NH1-O 3.21Å; R193-T207 HydrophobicContact CG-CG2 4.09Å; F195-T207 WeakPolarHBondContact CE2-O 3.37Å |
| 208 | R | 72.8 | Confident | 72.3 | Confident | 97 Ų | 97 | 76.2 Ų | 76.2 | 37% | 0.366 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -137.4 | 149.2 | -176.8 | -61.5 | 168 | 52.3 | 154 | -4 | 112.5 | A184 F195 D210 E211 L212 | A184-R208 HydrophobicContact CB-CG 3.91Å; F195-R208 VanDerWaalsContact CD2-CA 3.49Å; R208-D210 VanDerWaalsContact CB-OD1 3.23Å; R208-D210 WeakPolarHBondContact CB-OD1 3.03Å; R208-D210 IonicContact CZ-OD1 2.82Å; R208-D210 IonicContact CZ-OD2 3.51Å; R208-D210 IonicContact NE-OD1 3.57Å; R208-D210 PolarHBondContact NE-OD1 2.73Å; R208-D210 IonicContact NE-OD2 3.42Å; R208-D210 VanDerWaalsContact NH2-CG 3.28Å; R208-D210 IonicContact NH2-OD1 3.63Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.73Å; R208-D210 PolarHBondContact NH2-OD2 3.38Å; R208-E211 HydrophobicContact CB-CB 4.2Å; R208-E211 PolarHBondContact O-N 3.42Å; R208-L212 PolarHBondContact O-N 3.37Å |
| 209 | S | 72.3 | Confident | 72.5 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 47% | 0.469 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 179.2 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | E211 L212 Q213 | S209-E211 PolarHBondContact O-N 3.37Å; S209-L212 PolarHBondContact O-N 2.81Å; S209-Q213 WeakPolarHBondContact O-CG 3.48Å; S209-Q213 PolarHBondContact O-N 2.93Å |
| 210 | D | 75.2 | Confident | 72.7 | Confident | 83 Ų | 83 | 71.2 Ų | 71.2 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -28.5 | 176.7 | 65.2 | -62.1 | 0 | 0 | 0 | 112.3 | R208 R214 | R208-D210 VanDerWaalsContact CB-OD1 3.23Å; R208-D210 WeakPolarHBondContact CB-OD1 3.03Å; R208-D210 IonicContact CZ-OD1 2.82Å; R208-D210 IonicContact CZ-OD2 3.51Å; R208-D210 IonicContact NE-OD1 3.57Å; R208-D210 PolarHBondContact NE-OD1 2.73Å; R208-D210 IonicContact NE-OD2 3.42Å; R208-D210 VanDerWaalsContact NH2-CG 3.28Å; R208-D210 IonicContact NH2-OD1 3.63Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.73Å; R208-D210 PolarHBondContact NH2-OD2 3.38Å; D210-R214 VanDerWaalsContact O-CB 3.27Å; D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 PolarHBondContact O-N 2.77Å |
| 211 | E | 76.8 | Confident | 73 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.8 | -43.5 | 174.4 | -160.2 | 178.7 | -162.9 | 0 | 0 | 112 | F206 R208 S209 R214 H215 | F206-E211 HydrophobicContact CB-CB 4.23Å; F206-E211 HydrophobicContact CB-CG 4.47Å; F206-E211 HydrophobicContact CD1-CB 4.18Å; F206-E211 HydrophobicContact CD1-CG 3.58Å; F206-E211 HydrophobicContact CE1-CG 4.23Å; F206-E211 HydrophobicContact CG-CB 4.43Å; F206-E211 HydrophobicContact CG-CG 4.3Å; R208-E211 HydrophobicContact CB-CB 4.2Å; R208-E211 PolarHBondContact O-N 3.42Å; S209-E211 PolarHBondContact O-N 3.37Å; E211-R214 IonicContact OE1-NH2 2.68Å; E211-H215 WeakPolarHBondContact O-CB 3.5Å; E211-H215 PolarHBondContact O-N 3.45Å |
| 212 | L | 78.3 | Confident | 72.9 | Confident | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 172 | 171.7 | 60.4 | 0 | 0 | 0 | 111.4 | F195 V196 C197 F206 R208 S209 R214 H215 L216 | F195-L212 HydrophobicContact CB-CB 4.04Å; F195-L212 HydrophobicContact CB-CD2 3.88Å; V196-L212 WeakPolarHBondContact O-CD2 3.42Å; C197-L212 HydrophobicContact CB-CD1 4.05Å; F206-L212 HydrophobicContact CB-CB 4.47Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.94Å; F206-L212 HydrophobicContact CE2-CD1 4.08Å; F206-L212 HydrophobicContact CG-CB 4.4Å; R208-L212 PolarHBondContact O-N 3.37Å; S209-L212 PolarHBondContact O-N 2.81Å; L212-R214 PolarHBondContact O-N 3.16Å; L212-H215 CarbonylContact O-C 3.49Å; L212-H215 WeakPolarHBondContact O-CA 3.43Å; L212-H215 WeakPolarHBondContact O-CB 3.36Å; L212-H215 PolarHBondContact O-N 3.47Å; L212-L216 HydrophobicContact CD1-CD1 4.32Å; L212-L216 HydrophobicContact CD1-CD2 4.36Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 4.26Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 3.27Å |
| 213 | Q | 77.8 | Confident | 72.3 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 179 | -76.5 | -67.9 | -43 | 0 | 0 | 112.3 | S209 H215 L216 Q217 | S209-Q213 WeakPolarHBondContact O-CG 3.48Å; S209-Q213 PolarHBondContact O-N 2.93Å; Q213-H215 VanDerWaalsContact C-N 3.28Å; Q213-H215 PolarHBondContact O-N 3.02Å; Q213-L216 PolarHBondContact O-N 2.86Å; Q213-Q217 PolarHBondContact O-N 3.28Å |
| 214 | R | 75.4 | Confident | 72.5 | Confident | 101 Ų | 101 | 70.2 Ų | 70.2 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 171.5 | 178.4 | -179.8 | 64.3 | 87.7 | -4.3 | 112.5 | D210 E211 L212 | D210-R214 VanDerWaalsContact O-CB 3.27Å; D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 PolarHBondContact O-N 2.77Å; E211-R214 IonicContact OE1-NH2 2.68Å; L212-R214 PolarHBondContact O-N 3.16Å |
| 215 | H | 81.6 | Confident | 72.7 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.6 | -37.9 | 174.9 | 169.9 | 43.4 | 0 | 0 | 0 | 112.4 | C197 C202 F206 E211 L212 Q213 Q217 T218 H219 | C197-H215 PolarHBondContact SG-NE2 3.04Å; C202-H215 VanDerWaalsContact SG-CE1 3.53Å; C202-H215 PolarHBondContact SG-NE2 2.83Å; F206-H215 HydrophobicContact CE1-CB 4.17Å; F206-H215 HydrophobicContact CE2-CB 4.01Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.45Å; F206-H215 AromaticContact CE2-CG 3.83Å; F206-H215 HydrophobicContact CZ-CB 3.58Å; F206-H215 AromaticContact CZ-CD2 3.29Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.45Å; F206-H215 AromaticContact CZ-CG 3.43Å; F206-H215 VanDerWaalsContact CZ-CG 3.43Å; E211-H215 WeakPolarHBondContact O-CB 3.5Å; E211-H215 PolarHBondContact O-N 3.45Å; L212-H215 CarbonylContact O-C 3.49Å; L212-H215 WeakPolarHBondContact O-CA 3.43Å; L212-H215 WeakPolarHBondContact O-CB 3.36Å; L212-H215 PolarHBondContact O-N 3.47Å; Q213-H215 VanDerWaalsContact C-N 3.28Å; Q213-H215 PolarHBondContact O-N 3.02Å; H215-Q217 PolarHBondContact O-N 3.01Å; H215-T218 PolarHBondContact ND1-OG1 2.99Å; H215-T218 VanDerWaalsContact ND1-OG1 3.13Å; H215-T218 WeakPolarHBondContact O-CB 3.36Å; H215-T218 PolarHBondContact O-N 3.49Å; H215-T218 PolarHBondContact O-OG1 2.79Å; H215-H219 AromaticContact CD2-NE2 3.62Å; H215-H219 AromaticContact CE1-CD2 3.81Å; H215-H219 AromaticContact CE1-NE2 2.83Å; H215-H219 PolarHBondContact CE1-NE2 2.85Å; H215-H219 AromaticContact ND1-NE2 3.95Å; H215-H219 AromaticContact NE2-CD2 3.95Å; H215-H219 AromaticContact NE2-NE2 2.54Å; H215-H219 PolarHBondContact NE2-NE2 3.01Å |
| 216 | L | 76.6 | Confident | 73 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.2 | -30.9 | 176.2 | -67.9 | 172.4 | 0 | 0 | 0 | 112.1 | L212 Q213 T218 H219 T220 | L212-L216 HydrophobicContact CD1-CD1 4.32Å; L212-L216 HydrophobicContact CD1-CD2 4.36Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 4.26Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 3.27Å; Q213-L216 PolarHBondContact O-N 2.86Å; L216-T218 PolarHBondContact O-N 3.13Å; L216-H219 PolarHBondContact O-N 3.08Å; L216-T220 PolarHBondContact O-N 3.37Å |
| 217 | Q | 74.3 | Confident | 73.4 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -23.4 | 171.3 | -65.4 | 170.7 | 1.1 | 0 | 0 | 113.7 | Q213 H215 H219 T220 G221 A222 M235 | Q213-Q217 PolarHBondContact O-N 3.28Å; H215-Q217 PolarHBondContact O-N 3.01Å; Q217-H219 VanDerWaalsContact C-N 3.32Å; Q217-T220 PolarHBondContact O-OG1 2.88Å; Q217-G221 PolarHBondContact O-N 3.32Å; Q217-G221 VanDerWaalsContact O-N 3.15Å; Q217-A222 PolarHBondContact O-N 3.21Å; Q217-M235 HydrophobicContact CB-CE 4.09Å; Q217-M235 WeakPolarHBondContact O-CE 3.47Å |
| 218 | T | 73.9 | Confident | 73.9 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.7 | -23.6 | 175.3 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | H215 L216 M235 F265 | H215-T218 PolarHBondContact ND1-OG1 2.99Å; H215-T218 VanDerWaalsContact ND1-OG1 3.13Å; H215-T218 WeakPolarHBondContact O-CB 3.36Å; H215-T218 PolarHBondContact O-N 3.49Å; H215-T218 PolarHBondContact O-OG1 2.79Å; L216-T218 PolarHBondContact O-N 3.13Å; T218-M235 HydrophobicContact CG2-CE 4.24Å; T218-F265 HydrophobicContact CG2-CD2 4.4Å; T218-F265 HydrophobicContact CG2-CE1 4.25Å; T218-F265 HydrophobicContact CG2-CE2 3.56Å; T218-F265 HydrophobicContact CG2-CZ 3.46Å; T218-F265 VanDerWaalsContact CG2-CZ 3.46Å |
| 219 | H | 74.5 | Confident | 74.5 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 24% | 0.241 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -81.2 | -36.7 | 173.8 | -67.8 | -65.8 | 0 | 0 | 0 | 112 | C197 W199 C202 H215 L216 Q217 G221 | C197-H219 PolarHBondContact SG-NE2 2.82Å; W199-H219 AromaticContact CD1-CE1 3.63Å; W199-H219 HydrophobicContact CD2-CB 4.2Å; W199-H219 AromaticContact CD2-CG 3.81Å; W199-H219 AromaticContact CD2-ND1 3.67Å; W199-H219 AromaticContact CE2-ND1 3.88Å; W199-H219 HydrophobicContact CE3-CB 3.66Å; W199-H219 AromaticContact CE3-CG 3.72Å; W199-H219 AromaticContact CG-CE1 3.81Å; W199-H219 AromaticContact CG-ND1 3.88Å; W199-H219 HydrophobicContact CH2-CB 4.24Å; W199-H219 HydrophobicContact CZ3-CB 3.68Å; C202-H219 WeakPolarHBondContact CB-CE1 3.28Å; C202-H219 WeakPolarHBondContact CB-NE2 3.36Å; C202-H219 PolarHBondContact SG-CE1 2.93Å; C202-H219 PolarHBondContact SG-NE2 2.79Å; H215-H219 AromaticContact CD2-NE2 3.62Å; H215-H219 AromaticContact CE1-CD2 3.81Å; H215-H219 AromaticContact CE1-NE2 2.83Å; H215-H219 PolarHBondContact CE1-NE2 2.85Å; H215-H219 AromaticContact ND1-NE2 3.95Å; H215-H219 AromaticContact NE2-CD2 3.95Å; H215-H219 AromaticContact NE2-NE2 2.54Å; H215-H219 PolarHBondContact NE2-NE2 3.01Å; L216-H219 PolarHBondContact O-N 3.08Å; Q217-H219 VanDerWaalsContact C-N 3.32Å; H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact O-N 3.47Å |
| 220 | T | 70.7 | Confident | 75.1 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 62% | 0.62 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.1 | 177.7 | 58 | 0 | 0 | 0 | 0 | 114.2 | L216 Q217 A222 | L216-T220 PolarHBondContact O-N 3.37Å; Q217-T220 PolarHBondContact O-OG1 2.88Å; T220-A222 PolarHBondContact O-N 2.86Å; T220-A222 VanDerWaalsContact O-N 3.12Å |
| 221 | G | 64.3 | Low | 75.3 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 14.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q217 H219 K223 | Q217-G221 PolarHBondContact O-N 3.32Å; Q217-G221 VanDerWaalsContact O-N 3.15Å; H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact O-N 3.47Å; G221-K223 VanDerWaalsContact C-N 3.34Å; G221-K223 PolarHBondContact O-N 3.27Å |
| 222 | A | 58.9 | Low | 75.3 | Confident | 29 Ų | 29 | 75 Ų | 75 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | trans | -73.4 | 76 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q217 T220 | Q217-A222 PolarHBondContact O-N 3.21Å; T220-A222 PolarHBondContact O-N 2.86Å; T220-A222 VanDerWaalsContact O-N 3.12Å | ||
| 223 | K | 62.5 | Low | 75.3 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 59% | 0.587 | 42% | 0.422 | S | S | * | . | trans | -69.1 | 130.7 | 167.3 | -91.6 | 174.5 | 171.5 | 174.2 | 0 | 110.6 | G221 V233 M235 | G221-K223 VanDerWaalsContact C-N 3.34Å; G221-K223 PolarHBondContact O-N 3.27Å; K223-V233 HydrophobicContact CB-CG1 3.78Å; K223-V233 HydrophobicContact CD-CB 4.11Å; K223-V233 HydrophobicContact CD-CG1 4.01Å; K223-V233 WeakPolarHBondContact CE-O 3.41Å; K223-V233 HydrophobicContact CG-CG1 4.07Å; K223-M235 HydrophobicContact CB-SD 4.36Å; K223-M235 HydrophobicContact CG-CG 4.37Å; K223-M235 HydrophobicContact CG-SD 3.66Å | ||
| 224 | K | 66.6 | Low | 75.4 | Confident | 151 Ų | 151 | 74.7 Ų | 74.7 | 66% | 0.657 | 41% | 0.411 | S | S | * | . | trans | -131.6 | -12.8 | -175 | -64.5 | -167.5 | 178.9 | -168.9 | 0 | 116.3 | ||||
| 225 | F | 72.4 | Confident | 75.4 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 31% | 0.311 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 91.4 | -170.9 | -58 | -77.1 | 0 | 0 | 0 | 111.4 | F234 N237 L240 | F225-F234 HydrophobicContact CB-CB 4.34Å; F225-F234 PolarHBondContact N-O 3.18Å; F225-F234 PolarHBondContact O-N 3.46Å; F225-N237 HydrophobicContact CD1-CB 4.03Å; F225-N237 HydrophobicContact CE1-CB 3.85Å; F225-N237 HydrophobicContact CE2-CB 4.44Å; F225-N237 HydrophobicContact CG-CB 4.4Å; F225-N237 HydrophobicContact CZ-CB 4.07Å; F225-L240 HydrophobicContact CB-CB 4.34Å; F225-L240 HydrophobicContact CB-CD2 3.97Å |
| 226 | S | 80.4 | Confident | 75 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 56% | 0.559 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 149.1 | 172.3 | 44.9 | 0 | 0 | 0 | 0 | 112 | L240 | S226-L240 WeakPolarHBondContact O-CD2 3.44Å |
| 227 | C | 84.3 | Confident | 75.2 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | trans | -78.8 | 141.9 | 163.3 | -175.3 | 0 | 0 | 0 | 0 | 110 | L229 C230 R232 F234 L240 H247 | C227-L229 PolarHBondContact SG-N 3.02Å; C227-L229 VanDerWaalsContact SG-N 3.39Å; C227-C230 WeakPolarHBondContact CB-O 3.38Å; C227-R232 PolarHBondContact N-O 3.05Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; C227-L240 HydrophobicContact CB-CD1 3.89Å; C227-H247 PolarHBondContact SG-NE2 3Å; C227-H247 VanDerWaalsContact SG-NE2 3.4Å | ||
| 228 | A | 83.3 | Confident | 75.5 | Confident | 99 Ų | 99 | 78.1 Ų | 78.1 | 82% | 0.818 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -80.7 | -16.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 229 | L | 84 | Confident | 76 | Confident | 112 Ų | 112 | 81.1 Ų | 81.1 | 59% | 0.586 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -106.7 | -11.1 | -173.2 | -59.4 | 176.3 | 0 | 0 | 0 | 113.4 | C227 M244 H247 | C227-L229 PolarHBondContact SG-N 3.02Å; C227-L229 VanDerWaalsContact SG-N 3.39Å; L229-M244 HydrophobicContact CD1-CE 3.68Å; L229-M244 HydrophobicContact CG-CE 4.09Å; L229-H247 HydrophobicContact CD1-CB 3.52Å |
| 230 | C | 86.1 | Confident | 76.5 | Confident | 33 Ų | 33 | 79.9 Ų | 79.9 | 22% | 0.223 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -158.7 | 163.3 | 176 | 78.2 | 0 | 0 | 0 | 0 | 111 | C227 R232 H243 | C227-C230 WeakPolarHBondContact CB-O 3.38Å; C230-R232 PolarHBondContact O-N 3.24Å; C230-H243 PolarHBondContact SG-NE2 2.92Å |
| 231 | P | 78.9 | Confident | 77.2 | Confident | 133 Ų | 133 | 77.2 Ų | 77.2 | 86% | 0.864 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -72.9 | 14.7 | -175 | 30.2 | -36.7 | 0 | 0 | 0 | 115 | ||
| 232 | R | 76.9 | Confident | 78.2 | Confident | 148 Ų | 148 | 81.8 Ų | 81.8 | 56% | 0.558 | 43% | 0.433 | S | S | * | . | trans | -74.5 | 129.5 | 178.2 | -72.3 | -173 | 171.8 | -173.4 | -2.4 | 111 | C227 C230 F234 | C227-R232 PolarHBondContact N-O 3.05Å; C230-R232 PolarHBondContact O-N 3.24Å; R232-F234 HydrophobicContact CB-CE2 3.66Å; R232-F234 HydrophobicContact CB-CZ 3.78Å | ||
| 233 | V | 78.3 | Confident | 79.6 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.8 | 177.8 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | K223 | K223-V233 HydrophobicContact CB-CG1 3.78Å; K223-V233 HydrophobicContact CD-CB 4.11Å; K223-V233 HydrophobicContact CD-CG1 4.01Å; K223-V233 WeakPolarHBondContact CE-O 3.41Å; K223-V233 HydrophobicContact CG-CG1 4.07Å |
| 234 | F | 79.9 | Confident | 80.6 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 148.4 | -174.5 | -57.6 | -90.4 | 0 | 0 | 0 | 111.5 | F225 C227 R232 H239 L240 H243 | F225-F234 HydrophobicContact CB-CB 4.34Å; F225-F234 PolarHBondContact N-O 3.18Å; F225-F234 PolarHBondContact O-N 3.46Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; R232-F234 HydrophobicContact CB-CE2 3.66Å; R232-F234 HydrophobicContact CB-CZ 3.78Å; F234-H239 HydrophobicContact CB-CB 4.47Å; F234-H239 HydrophobicContact CD1-CB 3.9Å; F234-H239 HydrophobicContact CG-CB 4.45Å; F234-L240 HydrophobicContact CB-CB 4.39Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 3.96Å; F234-L240 HydrophobicContact CE2-CD1 4.09Å; F234-L240 HydrophobicContact CG-CB 4.27Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.32Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.39Å; F234-H243 AromaticContact CE2-CG 3.91Å; F234-H243 HydrophobicContact CZ-CB 3.59Å; F234-H243 AromaticContact CZ-CD2 3.3Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.21Å; F234-H243 AromaticContact CZ-CG 3.44Å; F234-H243 VanDerWaalsContact CZ-CG 3.44Å |
| 235 | M | 74.8 | Confident | 81.6 | Confident | 54 Ų | 54 | 78 Ų | 78 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -76.6 | -12.7 | 170.8 | -62.9 | -73.8 | -79.3 | 0 | 0 | 112.4 | Q217 T218 K223 | Q217-M235 HydrophobicContact CB-CE 4.09Å; Q217-M235 WeakPolarHBondContact O-CE 3.47Å; T218-M235 HydrophobicContact CG2-CE 4.24Å; K223-M235 HydrophobicContact CB-SD 4.36Å; K223-M235 HydrophobicContact CG-CG 4.37Å; K223-M235 HydrophobicContact CG-SD 3.66Å |
| 236 | R | 73.9 | Confident | 82 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 28% | 0.275 | 42% | 0.418 | S | S | . | . | trans | -141.3 | 135.9 | -169.3 | -75.5 | 167.7 | 60.6 | 166.7 | 2.8 | 111.8 | D238 H239 L240 | R236-D238 WeakPolarHBondContact CB-OD1 3.34Å; R236-D238 IonicContact CZ-OD1 3.51Å; R236-D238 IonicContact CZ-OD2 2.7Å; R236-D238 IonicContact NE-OD1 3.66Å; R236-D238 PolarHBondContact NE-OD1 2.87Å; R236-D238 IonicContact NE-OD2 3.43Å; R236-D238 VanDerWaalsContact NH2-CG 3.32Å; R236-D238 IonicContact NH2-OD1 2.68Å; R236-D238 PolarHBondContact NH2-OD1 3.06Å; R236-D238 IonicContact NH2-OD2 3.18Å; R236-D238 PolarHBondContact NH2-OD2 2.95Å; R236-H239 HydrophobicContact CB-CB 4.17Å; R236-H239 PolarHBondContact NH1-NE2 3.42Å; R236-H239 PolarHBondContact NH2-NE2 3.24Å; R236-H239 PolarHBondContact O-N 3.41Å; R236-L240 PolarHBondContact O-N 3.4Å; R236-L240 VanDerWaalsContact O-N 3.14Å | ||
| 237 | N | 80.1 | Confident | 82 | Confident | 96 Ų | 96 | 78.2 Ų | 78.2 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.2 | -171.3 | -26.5 | 0 | 0 | 0 | 111.8 | F225 H239 L240 A241 | F225-N237 HydrophobicContact CD1-CB 4.03Å; F225-N237 HydrophobicContact CE1-CB 3.85Å; F225-N237 HydrophobicContact CE2-CB 4.44Å; F225-N237 HydrophobicContact CG-CB 4.4Å; F225-N237 HydrophobicContact CZ-CB 4.07Å; N237-H239 VanDerWaalsContact C-N 3.26Å; N237-H239 PolarHBondContact O-N 3.36Å; N237-L240 CarbonylContact O-C 3.55Å; N237-L240 WeakPolarHBondContact O-CA 3.41Å; N237-L240 WeakPolarHBondContact O-CB 3.09Å; N237-L240 PolarHBondContact O-N 2.84Å; N237-A241 WeakPolarHBondContact O-CB 3.35Å; N237-A241 PolarHBondContact O-N 3.48Å |
| 238 | D | 81.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.5 | -26.9 | -179.6 | 72.5 | -65.8 | 0 | 0 | 0 | 113.6 | R236 K242 | R236-D238 WeakPolarHBondContact CB-OD1 3.34Å; R236-D238 IonicContact CZ-OD1 3.51Å; R236-D238 IonicContact CZ-OD2 2.7Å; R236-D238 IonicContact NE-OD1 3.66Å; R236-D238 PolarHBondContact NE-OD1 2.87Å; R236-D238 IonicContact NE-OD2 3.43Å; R236-D238 VanDerWaalsContact NH2-CG 3.32Å; R236-D238 IonicContact NH2-OD1 2.68Å; R236-D238 PolarHBondContact NH2-OD1 3.06Å; R236-D238 IonicContact NH2-OD2 3.18Å; R236-D238 PolarHBondContact NH2-OD2 2.95Å; D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 PolarHBondContact O-N 2.8Å; D238-K242 VanDerWaalsContact O-N 3.1Å |
| 239 | H | 83.6 | Confident | 80.4 | Confident | 93 Ų | 93 | 84 Ų | 84 | 43% | 0.431 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.8 | -42 | 169.6 | -69.4 | -20.1 | 0 | 0 | 0 | 112.1 | F234 R236 N237 K242 H243 | F234-H239 HydrophobicContact CB-CB 4.47Å; F234-H239 HydrophobicContact CD1-CB 3.9Å; F234-H239 HydrophobicContact CG-CB 4.45Å; R236-H239 HydrophobicContact CB-CB 4.17Å; R236-H239 PolarHBondContact NH1-NE2 3.42Å; R236-H239 PolarHBondContact NH2-NE2 3.24Å; R236-H239 PolarHBondContact O-N 3.41Å; N237-H239 VanDerWaalsContact C-N 3.26Å; N237-H239 PolarHBondContact O-N 3.36Å; H239-K242 PolarHBondContact O-N 2.98Å; H239-H243 WeakPolarHBondContact O-CB 3.31Å; H239-H243 PolarHBondContact O-N 2.83Å |
| 240 | L | 85.6 | Confident | 79 | Confident | 27 Ų | 27 | 84.3 Ų | 84.3 | 14% | 0.141 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59 | -49.1 | 171.5 | 171.7 | 61 | 0 | 0 | 0 | 110.9 | F225 S226 C227 F234 R236 N237 K242 H243 M244 | F225-L240 HydrophobicContact CB-CB 4.34Å; F225-L240 HydrophobicContact CB-CD2 3.97Å; S226-L240 WeakPolarHBondContact O-CD2 3.44Å; C227-L240 HydrophobicContact CB-CD1 3.89Å; F234-L240 HydrophobicContact CB-CB 4.39Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 3.96Å; F234-L240 HydrophobicContact CE2-CD1 4.09Å; F234-L240 HydrophobicContact CG-CB 4.27Å; R236-L240 PolarHBondContact O-N 3.4Å; R236-L240 VanDerWaalsContact O-N 3.14Å; N237-L240 CarbonylContact O-C 3.55Å; N237-L240 WeakPolarHBondContact O-CA 3.41Å; N237-L240 WeakPolarHBondContact O-CB 3.09Å; N237-L240 PolarHBondContact O-N 2.84Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 3.03Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.32Å; L240-H243 PolarHBondContact O-N 3.39Å; L240-M244 HydrophobicContact CD1-CG 4.17Å; L240-M244 HydrophobicContact CD1-SD 3.92Å; L240-M244 HydrophobicContact CG-CG 4.44Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.26Å |
| 241 | A | 85.4 | Confident | 77.4 | Confident | 45 Ų | 45 | 88.7 Ų | 88.7 | 37% | 0.372 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.3 | -33.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N237 | N237-A241 WeakPolarHBondContact O-CB 3.35Å; N237-A241 PolarHBondContact O-N 3.48Å |
| 242 | K | 85.5 | Confident | 76 | Confident | 150 Ų | 150 | 86 Ų | 86 | 65% | 0.652 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -73.1 | -33.6 | 172 | -164.1 | 178.2 | -176.1 | -174.2 | 0 | 112.1 | D238 H239 L240 | D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 PolarHBondContact O-N 2.8Å; D238-K242 VanDerWaalsContact O-N 3.1Å; H239-K242 PolarHBondContact O-N 2.98Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 3.03Å |
| 243 | H | 86.8 | Confident | 74.4 | Confident | 16 Ų | 16 | 87 Ų | 87 | 7% | 0.074 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72.7 | -34.6 | 175 | 171.9 | 49.1 | 0 | 0 | 0 | 113.3 | C230 F234 H239 L240 R245 T246 H247 | C230-H243 PolarHBondContact SG-NE2 2.92Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.32Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.39Å; F234-H243 AromaticContact CE2-CG 3.91Å; F234-H243 HydrophobicContact CZ-CB 3.59Å; F234-H243 AromaticContact CZ-CD2 3.3Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.21Å; F234-H243 AromaticContact CZ-CG 3.44Å; F234-H243 VanDerWaalsContact CZ-CG 3.44Å; H239-H243 WeakPolarHBondContact O-CB 3.31Å; H239-H243 PolarHBondContact O-N 2.83Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.32Å; L240-H243 PolarHBondContact O-N 3.39Å; H243-R245 PolarHBondContact O-N 2.89Å; H243-R245 VanDerWaalsContact O-N 3.15Å; H243-T246 PolarHBondContact CE1-OG1 2.94Å; H243-T246 PolarHBondContact ND1-OG1 3.39Å; H243-T246 WeakPolarHBondContact O-CB 3.45Å; H243-T246 PolarHBondContact O-N 3.43Å; H243-T246 PolarHBondContact O-OG1 2.38Å; H243-H247 AromaticContact CD2-NE2 3.95Å; H243-H247 AromaticContact CE1-CD2 3.9Å; H243-H247 AromaticContact CE1-CE1 3.87Å; H243-H247 AromaticContact CE1-NE2 3.16Å; H243-H247 PolarHBondContact CE1-NE2 3.21Å; H243-H247 AromaticContact NE2-CD2 3.91Å; H243-H247 AromaticContact NE2-CE1 3.98Å; H243-H247 AromaticContact NE2-NE2 3.06Å; H243-H247 PolarHBondContact NE2-NE2 3.17Å |
| 244 | M | 84.6 | Confident | 73.2 | Confident | 51 Ų | 51 | 88.4 Ų | 88.4 | 25% | 0.251 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.3 | -36.5 | 176.9 | -68.4 | -53.2 | -62 | 0 | 0 | 111.9 | L229 L240 T246 H247 | L229-M244 HydrophobicContact CD1-CE 3.68Å; L229-M244 HydrophobicContact CG-CE 4.09Å; L240-M244 HydrophobicContact CD1-CG 4.17Å; L240-M244 HydrophobicContact CD1-SD 3.92Å; L240-M244 HydrophobicContact CG-CG 4.44Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.26Å; M244-T246 PolarHBondContact O-N 2.64Å; M244-T246 VanDerWaalsContact O-N 3.15Å; M244-H247 WeakPolarHBondContact O-CB 3.19Å; M244-H247 PolarHBondContact O-N 3.26Å |
| 245 | R | 86.1 | Confident | 71.4 | Confident | 168 Ų | 168 | 92.6 Ų | 92.6 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.4 | 174.9 | -56.7 | 178.5 | -169.7 | -175.3 | -1.2 | 114.7 | H243 H247 | H243-R245 PolarHBondContact O-N 2.89Å; H243-R245 VanDerWaalsContact O-N 3.15Å; R245-H247 VanDerWaalsContact C-N 3.3Å |
| 246 | T | 82.4 | Confident | 70.3 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -12.8 | 174.4 | 71 | 0 | 0 | 0 | 0 | 112.6 | H243 M244 | H243-T246 PolarHBondContact CE1-OG1 2.94Å; H243-T246 PolarHBondContact ND1-OG1 3.39Å; H243-T246 WeakPolarHBondContact O-CB 3.45Å; H243-T246 PolarHBondContact O-N 3.43Å; H243-T246 PolarHBondContact O-OG1 2.38Å; M244-T246 PolarHBondContact O-N 2.64Å; M244-T246 VanDerWaalsContact O-N 3.15Å |
| 247 | H | 80.3 | Confident | 68.5 | Low | 68 Ų | 68 | 102.6 Ų | 102.6 | 32% | 0.315 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.8 | -16.8 | 172.2 | -61.5 | -73.2 | 0 | 0 | 0 | 112.9 | C227 L229 H243 M244 R245 | C227-H247 PolarHBondContact SG-NE2 3Å; C227-H247 VanDerWaalsContact SG-NE2 3.4Å; L229-H247 HydrophobicContact CD1-CB 3.52Å; H243-H247 AromaticContact CD2-NE2 3.95Å; H243-H247 AromaticContact CE1-CD2 3.9Å; H243-H247 AromaticContact CE1-CE1 3.87Å; H243-H247 AromaticContact CE1-NE2 3.16Å; H243-H247 PolarHBondContact CE1-NE2 3.21Å; H243-H247 AromaticContact NE2-CD2 3.91Å; H243-H247 AromaticContact NE2-CE1 3.98Å; H243-H247 AromaticContact NE2-NE2 3.06Å; H243-H247 PolarHBondContact NE2-NE2 3.17Å; M244-H247 WeakPolarHBondContact O-CB 3.19Å; M244-H247 PolarHBondContact O-N 3.26Å; R245-H247 VanDerWaalsContact C-N 3.3Å |
| 248 | E | 74 | Confident | 67.2 | Low | 151 Ų | 151 | 104.7 Ų | 104.7 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -84.2 | -14.5 | 179.4 | -66.8 | 167.3 | 175 | 0 | 0 | 112.9 | ||
| 249 | S | 59.7 | Low | 65.1 | Low | 80 Ų | 80 | 106.9 Ų | 106.9 | 56% | 0.559 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -91.8 | 145 | 173.3 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 250 | P | 53.8 | Low | 63.1 | Low | 119 Ų | 119 | 105.4 Ų | 105.4 | 77% | 0.773 | 60% | 0.595 | S | S | * | * | trans | -62.8 | 148.9 | -176.1 | 24.8 | -34 | 0 | 0 | 0 | 112.9 | G252 | P250-G252 PolarHBondContact O-N 3.41Å; P250-G252 VanDerWaalsContact O-N 3.09Å | ||
| 251 | P | 52.2 | Low | 60.7 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -78.3 | 100.1 | -163.2 | 30.4 | -36 | 0 | 0 | 0 | 112.9 | H253 | P251-H253 PolarHBondContact O-N 3.27Å; P251-H253 VanDerWaalsContact O-N 3.17Å | ||
| 252 | G | 49.8 | Very low | 58.4 | Low | 75 Ų | 75 | 112.8 Ų | 112.8 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | trans | -70.9 | 99.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P250 | P250-G252 PolarHBondContact O-N 3.41Å; P250-G252 VanDerWaalsContact O-N 3.09Å | ||
| 253 | H | 44.3 | Very low | 56.2 | Low | 171 Ų | 171 | 114.5 Ų | 114.5 | 79% | 0.792 | 65% | 0.652 | S | S | * | * | trans | 20.4 | 119.8 | 170.5 | -75.6 | -94.1 | 0 | 0 | 0 | 118.2 | P251 E255 | P251-H253 PolarHBondContact O-N 3.27Å; P251-H253 VanDerWaalsContact O-N 3.17Å; H253-E255 PolarHBondContact O-N 3.39Å | ||
| 254 | G | 53.9 | Low | 53.5 | Low | 89 Ų | 89 | 116 Ų | 116 | 92% | 0.918 | 67% | 0.671 | S | S | * | * | trans | -60.1 | 101.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 255 | E | 40.6 | Very low | 51.3 | Low | 128 Ų | 128 | 119.8 Ų | 119.8 | 60% | 0.598 | 69% | 0.687 | S | S | * | * | trans | -90.9 | 115 | 160.1 | -73.9 | -172.9 | 103.6 | 0 | 0 | 108.8 | H253 R257 | H253-E255 PolarHBondContact O-N 3.39Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.32Å; E255-R257 IonicContact OE1-CZ 3.2Å; E255-R257 VanDerWaalsContact OE1-CZ 3.24Å; E255-R257 IonicContact OE1-NH1 2.8Å; E255-R257 PolarHBondContact OE1-NH1 2.62Å; E255-R257 VanDerWaalsContact OE1-NH1 3.09Å; E255-R257 IonicContact OE1-NH2 3.41Å; E255-R257 PolarHBondContact OE1-NH2 3.15Å; E255-R257 IonicContact OE2-CZ 3.24Å; E255-R257 IonicContact OE2-NH1 3.09Å; E255-R257 PolarHBondContact OE2-NH1 3.42Å; E255-R257 IonicContact OE2-NH2 2.68Å | ||
| 256 | E | 51.3 | Low | 48.7 | Very low | 190 Ų | 190 | 118.7 Ų | 118.7 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | -60.8 | 95.5 | 161 | -178.7 | 161.1 | 90.6 | 0 | 0 | 108.9 | ||||
| 257 | R | 37 | Very low | 46.3 | Very low | 147 Ų | 147 | 118.3 Ų | 118.3 | 56% | 0.555 | 70% | 0.699 | S | S | * | * | trans | -119.4 | 105.5 | 160.7 | -72.1 | -161.8 | 179.6 | 85.2 | 15.1 | 109 | E255 N259 | E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.32Å; E255-R257 IonicContact OE1-CZ 3.2Å; E255-R257 VanDerWaalsContact OE1-CZ 3.24Å; E255-R257 IonicContact OE1-NH1 2.8Å; E255-R257 PolarHBondContact OE1-NH1 2.62Å; E255-R257 VanDerWaalsContact OE1-NH1 3.09Å; E255-R257 IonicContact OE1-NH2 3.41Å; E255-R257 PolarHBondContact OE1-NH2 3.15Å; E255-R257 IonicContact OE2-CZ 3.24Å; E255-R257 IonicContact OE2-NH1 3.09Å; E255-R257 PolarHBondContact OE2-NH1 3.42Å; E255-R257 IonicContact OE2-NH2 2.68Å; R257-N259 HydrophobicContact CB-CB 4.39Å; R257-N259 PolarHBondContact O-N 3.48Å | ||
| 258 | V | 53.3 | Low | 44 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | trans | -65.1 | 81 | 151.9 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 259 | N | 36.3 | Very low | 42 | Very low | 125 Ų | 125 | 118.1 Ų | 118.1 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | trans | -149.2 | 134.7 | 167.9 | -76.7 | -64.1 | 0 | 0 | 0 | 105.2 | R257 | R257-N259 HydrophobicContact CB-CB 4.39Å; R257-N259 PolarHBondContact O-N 3.48Å | ||
| 260 | G | 42.9 | Very low | 40.7 | Very low | 62 Ų | 62 | 118.9 Ų | 118.9 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | cis | 139.8 | -4.8 | 29.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 261 | D | 34.4 | Very low | 39.7 | Very low | 161 Ų | 161 | 119.4 Ų | 119.4 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | trans | -107.2 | 22.6 | 175.4 | -68.2 | -69.3 | 0 | 0 | 0 | 114 | K263 | D261-K263 VanDerWaalsContact C-N 3.31Å; D261-K263 PolarHBondContact O-N 2.39Å | ||
| 262 | G | 37.9 | Very low | 38.6 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -64.6 | 106 | 135.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | G264 | G262-G264 PolarHBondContact O-N 3.23Š|
| 263 | K | 38.3 | Very low | 37.7 | Very low | 186 Ų | 186 | 123.7 Ų | 123.7 | 81% | 0.809 | 72% | 0.722 | S | S | * | * | trans | -60.7 | 92.5 | 157.2 | -77.8 | -127.8 | 172.6 | -161.1 | 0 | 106.2 | D261 F265 | D261-K263 VanDerWaalsContact C-N 3.31Å; D261-K263 PolarHBondContact O-N 2.39Å; K263-F265 PolarHBondContact O-N 3.21Å | ||
| 264 | G | 30.8 | Very low | 36.9 | Very low | 47 Ų | 47 | 121.5 Ų | 121.5 | 49% | 0.485 | 73% | 0.726 | S | S | . | * | trans | -51.1 | 136.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | G262 D266 | G262-G264 PolarHBondContact O-N 3.23Å; G264-D266 PolarHBondContact O-N 3.34Å | ||
| 265 | F | 37.9 | Very low | 35.8 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 58% | 0.575 | 72% | 0.719 | S | S | * | * | trans | -84.5 | 83.6 | 157.6 | -54 | -74.5 | 0 | 0 | 0 | 103.6 | T218 K263 A267 | T218-F265 HydrophobicContact CG2-CD2 4.4Å; T218-F265 HydrophobicContact CG2-CE1 4.25Å; T218-F265 HydrophobicContact CG2-CE2 3.56Å; T218-F265 HydrophobicContact CG2-CZ 3.46Å; T218-F265 VanDerWaalsContact CG2-CZ 3.46Å; K263-F265 PolarHBondContact O-N 3.21Å; F265-A267 PolarHBondContact O-N 3.12Å | ||
| 266 | D | 31 | Very low | 35.2 | Very low | 144 Ų | 144 | 124 Ų | 124 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -51.7 | 137 | 175.1 | -60 | -61.4 | 0 | 0 | 0 | 108.3 | G264 | G264-D266 PolarHBondContact O-N 3.34Š| ||
| 267 | A | 33.5 | Very low | 34.2 | Very low | 79 Ų | 79 | 120.6 Ų | 120.6 | 65% | 0.653 | 73% | 0.728 | S | S | * | * | trans | -56.6 | 145.9 | 172 | 0 | 0 | 0 | 0 | 0 | 108.7 | F265 T269 | F265-A267 PolarHBondContact O-N 3.12Å; A267-T269 PolarHBondContact O-N 3.48Å | ||
| 268 | P | 30.7 | Very low | 33.9 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | trans | -65.3 | 99.1 | 178.9 | 25.3 | -31.9 | 0 | 0 | 0 | 110.2 | F201 | F201-P268 HydrophobicContact CD2-CG 4.36Š| ||
| 269 | T | 31.7 | Very low | 32.9 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 133.4 | 166.6 | -52.2 | 0 | 0 | 0 | 0 | 108.7 | A267 | A267-T269 PolarHBondContact O-N 3.48Š|
| 270 | P | 32.5 | Very low | 33.1 | Very low | 96 Ų | 96 | 120 Ų | 120 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.5 | 178.6 | 25.9 | -34.7 | 0 | 0 | 0 | 111.2 | Q272 | P270-Q272 PolarHBondContact O-N 3.4Å; P270-Q272 VanDerWaalsContact O-N 3.16Å |
| 271 | P | 33.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.1 | -178.1 | 26 | -33.7 | 0 | 0 | 0 | 110.8 | S273 | P271-S273 PolarHBondContact O-N 3.07Š|
| 272 | Q | 29 | Very low | 32.8 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 120.8 | 166.1 | -69.8 | -83.5 | -92.7 | 0 | 0 | 108.5 | P270 S274 | P270-Q272 PolarHBondContact O-N 3.4Å; P270-Q272 VanDerWaalsContact O-N 3.16Å; Q272-S274 PolarHBondContact O-N 3.36Å |
| 273 | S | 31.3 | Very low | 32.8 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 121.1 | 176.5 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | P271 S275 | P271-S273 PolarHBondContact O-N 3.07Å; S273-S275 PolarHBondContact O-N 3.42Å |
| 274 | S | 27.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -74.7 | 109.6 | 169.1 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | Q272 | Q272-S274 PolarHBondContact O-N 3.36Š| ||
| 275 | S | 30.7 | Very low | 33 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -130.1 | 87.7 | 164.7 | 59.5 | 0 | 0 | 0 | 0 | 108.7 | S273 | S273-S275 PolarHBondContact O-N 3.42Š| ||
| 276 | D | 26.9 | Very low | 32.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -98.6 | 107.7 | 169.2 | -163.8 | 63.2 | 0 | 0 | 0 | 107.6 | ||||
| 277 | S | 31.4 | Very low | 32.9 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -125.8 | 133.5 | 171 | -79.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 278 | T | 31.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -74.4 | 144.7 | -161 | -37.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 279 | E | 31.9 | Very low | 33.4 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 66.8 | 166.1 | 154.1 | -94.9 | -172 | 86 | 0 | 0 | 120.6 | ||||
| 280 | P | 39.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -125.4 | 174.3 | -30.4 | 25.5 | -5.4 | 0 | 0 | 0 | 113.8 | ||||
| 281 | Q | 36.7 | Very low | 34.4 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 131.3 | 178.8 | -69.2 | -93 | -35.3 | 0 | 0 | 113.7 | ||||
| 282 | L | 34.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -125.4 | 114 | 154.3 | -78.8 | 176.2 | 0 | 0 | 0 | 110.8 | L284 | L282-L284 PolarHBondContact O-N 3.47Š| ||
| 283 | K | 38.8 | Very low | 35.4 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -69.7 | 117.5 | 173.7 | -83.7 | 161.5 | 170.4 | 163.2 | 0 | 110 | ||||
| 284 | L | 38 | Very low | 35.6 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -106.2 | 116.8 | 148.6 | -90 | 80.3 | 0 | 0 | 0 | 109.1 | L282 | L282-L284 PolarHBondContact O-N 3.47Š| ||
| 285 | K | 36.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -88.3 | 118.8 | 171.8 | 176.8 | 100.8 | 165.9 | -173.1 | 0 | 106.4 | E287 | K285-E287 WeakPolarHBondContact CE-OE2 3.22Å; K285-E287 WeakPolarHBondContact CG-OE2 3.17Å | ||
| 286 | C | 31.4 | Very low | 36.8 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 75% | 0.75 | 81% | 0.81 | S | S | * | * | trans | -111.7 | 104.9 | 166.2 | -66.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 287 | E | 34.7 | Very low | 37.3 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 147 | 164.2 | -88.4 | 135.1 | 91.3 | 0 | 0 | 110.1 | K285 | K285-E287 WeakPolarHBondContact CE-OE2 3.22Å; K285-E287 WeakPolarHBondContact CG-OE2 3.17Å | ||
| 288 | I | 37.7 | Very low | 37.6 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -118.8 | 105.1 | 174.3 | -60.7 | 173.6 | 0 | 0 | 0 | 106.2 | ||||
| 289 | D | 37.2 | Very low | 37.9 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -77.6 | 131.3 | 173.5 | -83.3 | -50.8 | 0 | 0 | 0 | 111.1 | S291 | D289-S291 PolarHBondContact O-N 3.29Š| ||
| 290 | P | 46.2 | Very low | 38.3 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -97.3 | 76.6 | 179.6 | 36.5 | -33.2 | 0 | 0 | 0 | 112.9 | ||||
| 291 | S | 38.3 | Very low | 38.2 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | -160 | 143.7 | 154.1 | 61.6 | 0 | 0 | 0 | 0 | 107.2 | D289 | D289-S291 PolarHBondContact O-N 3.29Š| ||
| 292 | V | 44 | Very low | 38.3 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | -145 | 161.8 | 52.2 | -159.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 293 | S | 39 | Very low | 38.6 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | -70.5 | 155.8 | -177.5 | 50.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 294 | N | 37.3 | Very low | 38.6 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | 0.7 | 131.3 | 151.1 | -63.4 | -16.6 | 0 | 0 | 0 | 118.7 | ||||
| 295 | V | 40 | Very low | 38.6 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | -134.7 | 147.2 | 128.2 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 296 | T | 41.8 | Very low | 38.9 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 100% | 1.264 | 82% | 0.818 | S | S | * | * | trans | -54.7 | 0 | -178.7 | 51.9 | 0 | 0 | 0 | 0 | 115.8 |
Retrieved 296 of 296 residues in 80.9 ms
(Link to these results)