| 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 | 40.5 | Very low | 41.5 | Very low | 234 Ų | 234 | 164.5 Ų | 164.5 | 100% | 1.153 | 83% | 0.831 | S | S | * | * | 0 | 85.5 | 0 | -65.1 | -169.9 | 170.5 | 0 | 0 | 105.5 | |||||
| 2 | S | 41.8 | Very low | 41 | Very low | 107 Ų | 107 | 158.9 Ų | 158.9 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | 58.2 | 95.2 | 65.4 | 72 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 3 | D | 40.7 | Very low | 40.5 | Very low | 160 Ų | 160 | 155.8 Ų | 155.8 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -172 | 106.8 | 146 | -101.4 | -8.6 | 0 | 0 | 0 | 103.9 | ||||
| 4 | A | 48.2 | Very low | 40.5 | Very low | 84 Ų | 84 | 157.9 Ų | 157.9 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | cis | 69.6 | 71.8 | 38.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 5 | E | 48.5 | Very low | 40.3 | Very low | 194 Ų | 194 | 155.4 Ų | 155.4 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -132.3 | 101.2 | 150.8 | -68 | -178.9 | 160.6 | 0 | 0 | 102.7 | ||||
| 6 | E | 44.4 | Very low | 40.3 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | cis | 60.7 | 114.9 | 40.4 | -147.7 | 165.8 | -144.8 | 0 | 0 | 114.1 | ||||
| 7 | E | 39.7 | Very low | 40.1 | Very low | 146 Ų | 146 | 158.8 Ų | 158.8 | 68% | 0.682 | 82% | 0.822 | S | S | * | * | trans | 74 | 122.9 | 163.3 | -112.2 | 176.4 | -166.7 | 0 | 0 | 115.9 | ||||
| 8 | Y | 39.6 | Very low | 40.2 | Very low | 191 Ų | 191 | 159.6 Ų | 159.6 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | cis | -147.4 | 124.6 | 45.7 | -94.1 | -105.3 | 0 | 0 | 0 | 111 | D10 | Y8-D10 PolarHBondContact O-N 3.1Š| ||
| 9 | E | 40.7 | Very low | 40.1 | Very low | 197 Ų | 197 | 157.7 Ų | 157.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -80.4 | 102.1 | 165.7 | -158.9 | 163.3 | -149.8 | 0 | 0 | 106.6 | Q11 | E9-Q11 VanDerWaalsContact C-N 3.27Å; E9-Q11 PolarHBondContact O-N 2.99Å | ||
| 10 | D | 36.9 | Very low | 40 | Very low | 158 Ų | 158 | 159.5 Ų | 159.5 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -77.4 | 85.7 | -178.7 | -148.7 | 8.7 | 0 | 0 | 0 | 109.1 | Y8 A12 | Y8-D10 PolarHBondContact O-N 3.1Å; D10-A12 PolarHBondContact O-N 3.25Å | ||
| 11 | Q | 35.5 | Very low | 39.9 | Very low | 164 Ų | 164 | 156.7 Ų | 156.7 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | trans | 12.9 | 96.3 | 149.6 | -143.2 | 161 | 65.1 | 0 | 0 | 114.9 | E9 V13 | E9-Q11 VanDerWaalsContact C-N 3.27Å; E9-Q11 PolarHBondContact O-N 2.99Å; Q11-V13 PolarHBondContact O-N 2.98Å | ||
| 12 | A | 36.2 | Very low | 39.9 | Very low | 97 Ų | 97 | 153.7 Ų | 153.7 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -57.6 | 106.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | D10 E14 | D10-A12 PolarHBondContact O-N 3.25Å; A12-E14 PolarHBondContact O-N 2.91Å | ||
| 13 | V | 34.2 | Very low | 39.8 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -63.6 | 104.4 | 167.4 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | Q11 V15 | Q11-V13 PolarHBondContact O-N 2.98Å; V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 HydrophobicContact CG1-CG2 4.32Å; V13-V15 PolarHBondContact O-N 3.15Å | ||
| 14 | E | 40.3 | Very low | 39.8 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -54.8 | 100.4 | 156.1 | -81.7 | -177.1 | 144 | 0 | 0 | 106.6 | A12 E16 | A12-E14 PolarHBondContact O-N 2.91Å; E14-E16 PolarHBondContact O-N 2.91Å | ||
| 15 | V | 37.2 | Very low | 39.6 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -74.5 | 105.1 | 159.1 | 174.6 | 0 | 0 | 0 | 0 | 104.1 | V13 E17 | V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 HydrophobicContact CG1-CG2 4.32Å; V13-V15 PolarHBondContact O-N 3.15Å; V15-E17 PolarHBondContact O-N 3.22Å | ||
| 16 | E | 40 | Very low | 39.1 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -48.2 | 107.5 | 160.4 | -81.2 | -176.2 | 135.4 | 0 | 0 | 107.6 | E14 E18 | E14-E16 PolarHBondContact O-N 2.91Å; E16-E18 PolarHBondContact O-N 3.44Å | ||
| 17 | E | 38.1 | Very low | 38.9 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 101.8 | 168.2 | -145.3 | 174.3 | -166.6 | 0 | 0 | 105.5 | V15 | V15-E17 PolarHBondContact O-N 3.22Š| ||
| 18 | E | 41.4 | Very low | 38.9 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -51 | 143.3 | 169.6 | -79.9 | -177.9 | 140.6 | 0 | 0 | 110.1 | E16 E20 | E16-E18 PolarHBondContact O-N 3.44Å; E18-E20 PolarHBondContact O-N 2.88Å | ||
| 19 | P | 37.8 | Very low | 39.1 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -63.1 | 125 | -179.2 | 26.2 | -32.9 | 0 | 0 | 0 | 110.6 | A21 | P19-A21 PolarHBondContact O-N 2.77Å; P19-A21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | E | 38.5 | Very low | 39.2 | Very low | 193 Ų | 193 | 150.5 Ų | 150.5 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -53.6 | 110.1 | 168.9 | -145.4 | 173.4 | -169.1 | 0 | 0 | 108.4 | E18 E22 | E18-E20 PolarHBondContact O-N 2.88Å; E20-E22 PolarHBondContact O-N 3.48Å | ||
| 21 | A | 37.4 | Very low | 39.5 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -67 | 115.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P19 | P19-A21 PolarHBondContact O-N 2.77Å; P19-A21 VanDerWaalsContact O-N 3.13Å | ||
| 22 | E | 40.8 | Very low | 39.9 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -58.5 | 160.6 | 167.4 | -85.1 | -177.1 | 166.3 | 0 | 0 | 111.7 | E20 E24 | E20-E22 PolarHBondContact O-N 3.48Å; E22-E24 PolarHBondContact O-N 3.5Å | ||
| 23 | P | 40.6 | Very low | 40.2 | Very low | 90 Ų | 90 | 151.6 Ų | 151.6 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | trans | -76.3 | 99.1 | -168 | 31.7 | -33 | 0 | 0 | 0 | 111.5 | E25 | P23-E25 PolarHBondContact O-N 3.24Å; P23-E25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | E | 40 | Very low | 40.4 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -6.1 | 170.6 | -75 | -177.4 | 161 | 0 | 0 | 113.6 | E22 | E22-E24 PolarHBondContact O-N 3.5Š|
| 25 | E | 43.3 | Very low | 40.2 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -15.6 | 179.4 | -69.8 | -172.4 | 166.9 | 0 | 0 | 113.9 | P23 | P23-E25 PolarHBondContact O-N 3.24Å; P23-E25 VanDerWaalsContact O-N 3.13Å |
| 26 | E | 39.1 | Very low | 40.2 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -25.7 | 176.7 | -72.8 | -171.5 | 169.1 | 0 | 0 | 113.2 | ||
| 27 | E | 40.5 | Very low | 40 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -75.8 | -30.9 | 177.9 | -77.2 | -170.3 | 157.1 | 0 | 0 | 113.1 | E30 E31 | E27-E30 PolarHBondContact O-N 3.42Å; E27-E31 PolarHBondContact O-N 3.45Å |
| 28 | E | 39.8 | Very low | 40 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 71% | 0.71 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -70.9 | -28.2 | 177 | -78.8 | -166.5 | 158.7 | 0 | 0 | 113 | E32 | E28-E32 PolarHBondContact O-N 2.79Å |
| 29 | E | 43.8 | Very low | 39.8 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -76.5 | -30.4 | 174.5 | -78.9 | -167.5 | 157.7 | 0 | 0 | 112.3 | E33 | E29-E33 PolarHBondContact O-N 3.1Å |
| 30 | E | 42.8 | Very low | 39.9 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -75.6 | -33.7 | 177.8 | -133.4 | -178.2 | -175.6 | 0 | 0 | 112.3 | E27 A34 | E27-E30 PolarHBondContact O-N 3.42Å; E30-A34 WeakPolarHBondContact O-CB 3.45Å; E30-A34 PolarHBondContact O-N 2.85Å; E30-A34 VanDerWaalsContact O-N 3.13Å |
| 31 | E | 43.2 | Very low | 39.6 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -71.6 | -33.2 | 175.3 | -91 | -164 | 157.4 | 0 | 0 | 113.8 | E27 Q35 | E27-E31 PolarHBondContact O-N 3.45Å; E31-Q35 PolarHBondContact O-N 3.26Å |
| 32 | E | 42.8 | Very low | 39.4 | Very low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -73.8 | -29.8 | 175 | -84.6 | -152.4 | 159.5 | 0 | 0 | 112.7 | E28 | E28-E32 PolarHBondContact O-N 2.79Å |
| 33 | E | 41.6 | Very low | 38.9 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -77.1 | -34.2 | 176.4 | -140.2 | -175 | -172.1 | 0 | 0 | 111.9 | E29 Q35 Q36 T37 | E29-E33 PolarHBondContact O-N 3.1Å; E33-Q35 PolarHBondContact O-N 2.86Å; E33-Q36 PolarHBondContact O-N 3.41Å; E33-T37 PolarHBondContact O-OG1 3.06Å |
| 34 | A | 38.7 | Very low | 38.9 | Very low | 57 Ų | 57 | 146.3 Ų | 146.3 | 47% | 0.471 | 75% | 0.745 | S | S | . | * | H | α-helix | trans | -68.7 | -28.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E30 Q36 T37 | E30-A34 WeakPolarHBondContact O-CB 3.45Å; E30-A34 PolarHBondContact O-N 2.85Å; E30-A34 VanDerWaalsContact O-N 3.13Å; A34-Q36 VanDerWaalsContact C-N 3.32Å; A34-Q36 PolarHBondContact O-N 3.35Å; A34-T37 PolarHBondContact O-OG1 2.84Å |
| 35 | Q | 37.7 | Very low | 38.4 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -13.9 | 177.6 | -74 | 179.6 | 31 | 0 | 0 | 113.8 | E31 E33 | E31-Q35 PolarHBondContact O-N 3.26Å; E33-Q35 PolarHBondContact O-N 2.86Å |
| 36 | Q | 37.4 | Very low | 38 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -11.7 | 178.7 | -92.5 | 176.1 | 55.2 | 0 | 0 | 114.6 | E33 A34 | E33-Q36 PolarHBondContact O-N 3.41Å; A34-Q36 VanDerWaalsContact C-N 3.32Å; A34-Q36 PolarHBondContact O-N 3.35Å |
| 37 | T | 33.9 | Very low | 37.6 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -100.3 | -8.2 | -176.7 | 25.3 | 0 | 0 | 0 | 0 | 115.3 | E33 A34 | E33-T37 PolarHBondContact O-OG1 3.06Å; A34-T37 PolarHBondContact O-OG1 2.84Å |
| 38 | E | 38.1 | Very low | 37.1 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -95.3 | 5.2 | -175.3 | -73.5 | -78 | 149.5 | 0 | 0 | 115.2 | ||
| 39 | E | 37.5 | Very low | 37.1 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -108.9 | 20.1 | 179.3 | -106.4 | -164 | 173 | 0 | 0 | 115.4 | ||
| 40 | D | 41.6 | Very low | 36.4 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -130 | 64.8 | 170.7 | -164.1 | 39.9 | 0 | 0 | 0 | 111.4 | ||||
| 41 | G | 30.7 | Very low | 36.2 | Very low | 67 Ų | 67 | 151.9 Ų | 151.9 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -130.4 | 75 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E43 | G41-E43 PolarHBondContact O-N 2.81Å; G41-E43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | G | 33.1 | Very low | 35.6 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -61.6 | 110.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q44 | G42-Q44 PolarHBondContact O-N 2.87Š| ||
| 43 | E | 31.4 | Very low | 35.2 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -68.3 | 119.3 | 169.4 | -69.8 | -172.9 | 131.9 | 0 | 0 | 110.6 | G41 Q45 | G41-E43 PolarHBondContact O-N 2.81Å; G41-E43 VanDerWaalsContact O-N 3.13Å; E43-Q45 PolarHBondContact O-N 3.38Å | ||
| 44 | Q | 39.2 | Very low | 34.7 | Very low | 193 Ų | 193 | 154 Ų | 154 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -75.9 | 114.5 | 165.3 | -68.3 | 174.9 | -1.6 | 0 | 0 | 108.6 | G42 | G42-Q44 PolarHBondContact O-N 2.87Š| ||
| 45 | Q | 31.1 | Very low | 34.4 | Very low | 170 Ų | 170 | 160.5 Ų | 160.5 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -104.8 | 113.8 | 165.1 | -97.1 | 179 | -3.6 | 0 | 0 | 110.5 | E43 | E43-Q45 PolarHBondContact O-N 3.38Š| ||
| 46 | E | 33.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 162.3 Ų | 162.3 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -60.9 | 129.8 | 165.3 | -71.8 | -174.3 | 147.6 | 0 | 0 | 110.3 | Q48 | E46-Q48 PolarHBondContact O-N 2.78Š| ||
| 47 | Y | 30.7 | Very low | 34.1 | Very low | 238 Ų | 238 | 163.3 Ų | 163.3 | 93% | 0.933 | 83% | 0.833 | S | S | * | * | trans | -78.3 | 105.2 | 166.3 | -76.8 | -96.1 | 0 | 0 | 0 | 109 | ||||
| 48 | Q | 29.9 | Very low | 34.5 | Very low | 151 Ų | 151 | 167.4 Ų | 167.4 | 71% | 0.706 | 84% | 0.844 | S | S | * | * | trans | -95.3 | 123.3 | 159.2 | -77.3 | -176.7 | 17.3 | 0 | 0 | 109.3 | E46 | E46-Q48 PolarHBondContact O-N 2.78Š| ||
| 49 | D | 40 | Very low | 34.8 | Very low | 157 Ų | 157 | 170.3 Ų | 170.3 | 84% | 0.84 | 85% | 0.848 | S | S | * | * | trans | -63.9 | 126.9 | 170.2 | -159.9 | 18.6 | 0 | 0 | 0 | 109.6 | ||||
| 50 | Q | 30.4 | Very low | 35.2 | Very low | 163 Ų | 163 | 167.1 Ų | 167.1 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | trans | -156.2 | 112.4 | 167.7 | -120.3 | 162 | 82.7 | 0 | 0 | 111 | ||||
| 51 | D | 38.2 | Very low | 35.5 | Very low | 164 Ų | 164 | 169.2 Ų | 169.2 | 88% | 0.877 | 85% | 0.845 | S | S | * | * | trans | -39.5 | 130.1 | 163.5 | -74.7 | -83.7 | 0 | 0 | 0 | 112.5 | ||||
| 52 | A | 29.8 | Very low | 36.4 | Very low | 96 Ų | 96 | 171.8 Ų | 171.8 | 79% | 0.793 | 85% | 0.85 | S | S | * | * | trans | -140.4 | 112.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E54 | A52-E54 PolarHBondContact O-N 3.44Š| ||
| 53 | Q | 35 | Very low | 37.5 | Very low | 196 Ų | 196 | 177.8 Ų | 177.8 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 124.4 | 169.1 | -70.6 | 162.5 | -50.7 | 0 | 0 | 109.6 | ||
| 54 | E | 31.6 | Very low | 38.3 | Very low | 195 Ų | 195 | 174.7 Ų | 174.7 | 91% | 0.911 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -84 | 120.8 | 164.6 | -81.9 | -176.7 | 159.3 | 0 | 0 | 109.8 | A52 | A52-E54 PolarHBondContact O-N 3.44Š|
| 55 | E | 32.3 | Very low | 38.9 | Very low | 192 Ų | 192 | 173.5 Ų | 173.5 | 90% | 0.897 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 134.4 | 171.4 | -73 | -177 | 138.2 | 0 | 0 | 111.3 | E57 | E55-E57 PolarHBondContact O-N 2.78Š|
| 56 | E | 31.7 | Very low | 40 | Very low | 195 Ų | 195 | 171.1 Ų | 171.1 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.1 | 170.5 | -78.4 | -176.3 | 128.2 | 0 | 0 | 111.7 | ||
| 57 | E | 35.9 | Very low | 40.9 | Very low | 189 Ų | 189 | 168 Ų | 168 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -91.1 | 112.6 | 156.5 | -84.9 | -166.9 | 154.9 | 0 | 0 | 110.9 | E55 R59 | E55-E57 PolarHBondContact O-N 2.78Å; E57-R59 PolarHBondContact O-N 2.83Å | ||
| 58 | E | 43.2 | Very low | 41.8 | Very low | 197 Ų | 197 | 165.8 Ų | 165.8 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -59.3 | 118.3 | 174.2 | -91 | -170.3 | 133.9 | 0 | 0 | 112.9 | ||||
| 59 | R | 43.8 | Very low | 42.9 | Very low | 231 Ų | 231 | 166.2 Ų | 166.2 | 87% | 0.872 | 84% | 0.844 | S | S | * | * | trans | -105.6 | 143.2 | 158.3 | -74.5 | -174.6 | -178.6 | -150.6 | 1.4 | 110.9 | E57 | E57-R59 PolarHBondContact O-N 2.83Š| ||
| 60 | P | 45.6 | Very low | 43.6 | Very low | 125 Ų | 125 | 162.7 Ų | 162.7 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 133 | -167.1 | 28.7 | -33.9 | 0 | 0 | 0 | 112.8 | P62 | P60-P62 WeakPolarHBondContact O-CD 3.24Š|
| 61 | K | 47.3 | Very low | 44.9 | Very low | 206 Ų | 206 | 160.2 Ų | 160.2 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.6 | -179.7 | -68.1 | 170.6 | -180 | 168 | 0 | 112.9 | ||
| 62 | P | 50.5 | Low | 45.9 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85 | 134.7 | 157 | 20.8 | -8.6 | 0 | 0 | 0 | 110.6 | P60 | P60-P62 WeakPolarHBondContact O-CD 3.24Š|
| 63 | K | 56.7 | Low | 46.8 | Very low | 202 Ų | 202 | 162.8 Ų | 162.8 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.1 | -177.6 | -63.2 | 171.2 | -179.8 | 175.4 | 0 | 111.7 | L65 | K63-L65 PolarHBondContact O-N 2.59Š|
| 64 | P | 47.9 | Very low | 47.8 | Very low | 117 Ų | 117 | 160.6 Ų | 160.6 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -79.4 | 113.6 | 173.4 | 31.1 | -30 | 0 | 0 | 0 | 109.6 | ||||
| 65 | L | 52.6 | Low | 49.3 | Very low | 168 Ų | 168 | 157 Ų | 157 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -88.9 | 116.3 | 160 | -153.2 | 76.7 | 0 | 0 | 0 | 106.1 | K63 P67 | K63-L65 PolarHBondContact O-N 2.59Å; L65-P67 VanDerWaalsContact O-CD 3.26Å; L65-P67 WeakPolarHBondContact O-CD 3.27Å | ||
| 66 | V | 53.2 | Low | 50.1 | Low | 120 Ų | 120 | 157.2 Ų | 157.2 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -93.6 | 111.9 | -173.3 | -155.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 67 | P | 51.8 | Low | 51.2 | Low | 103 Ų | 103 | 151.8 Ų | 151.8 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | trans | -75.1 | 120.9 | 156 | -13.9 | 30.2 | 0 | 0 | 0 | 108 | L65 L69 | L65-P67 VanDerWaalsContact O-CD 3.26Å; L65-P67 WeakPolarHBondContact O-CD 3.27Å; P67-L69 PolarHBondContact O-N 2.69Å | ||
| 68 | Q | 49.8 | Very low | 52.3 | Low | 193 Ų | 193 | 151.3 Ų | 151.3 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -62.5 | 95.2 | 169.2 | -73 | 173 | -12.8 | 0 | 0 | 109.1 | ||||
| 69 | L | 54.2 | Low | 53.2 | Low | 159 Ų | 159 | 153.4 Ų | 153.4 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93 | 117 | 165 | -113.5 | 68.7 | 0 | 0 | 0 | 108.2 | P67 | P67-L69 PolarHBondContact O-N 2.69Š|
| 70 | A | 55.1 | Low | 54.3 | Low | 83 Ų | 83 | 146.7 Ų | 146.7 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -49 | 146.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 71 | P | 56 | Low | 55.9 | Low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 126.3 | 177.6 | 22.1 | -31.5 | 0 | 0 | 0 | 109.3 | K73 | P71-K73 PolarHBondContact O-N 3.25Å; P71-K73 VanDerWaalsContact O-N 3.12Å |
| 72 | P | 60.6 | Low | 57.4 | Low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.6 | 174.8 | 23.1 | -30.1 | 0 | 0 | 0 | 107.7 | I74 | P72-I74 PolarHBondContact O-N 3.46Š|
| 73 | K | 48.1 | Very low | 59 | Low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -55.1 | 112 | 166.6 | -98.5 | 85 | 175.6 | 178.1 | 0 | 106.4 | P71 P75 | P71-K73 PolarHBondContact O-N 3.25Å; P71-K73 VanDerWaalsContact O-N 3.12Å; K73-P75 VanDerWaalsContact O-CD 3.25Å; K73-P75 WeakPolarHBondContact O-CD 3.47Å | ||
| 74 | I | 56.3 | Low | 60.5 | Low | 149 Ų | 149 | 133.9 Ų | 133.9 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | -68.2 | 117.8 | 164 | -43.5 | 172.4 | 0 | 0 | 0 | 104.9 | P72 E76 | P72-I74 PolarHBondContact O-N 3.46Å; I74-E76 PolarHBondContact O-N 3.44Å; I74-E76 VanDerWaalsContact O-N 3.09Å | ||
| 75 | P | 63.8 | Low | 62.4 | Low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -65.5 | 110.9 | 167.1 | -14.3 | 30.3 | 0 | 0 | 0 | 107.3 | K73 G77 | K73-P75 VanDerWaalsContact O-CD 3.25Å; K73-P75 WeakPolarHBondContact O-CD 3.47Å; P75-G77 PolarHBondContact O-N 3.23Å | ||
| 76 | E | 48 | Very low | 64.2 | Low | 196 Ų | 196 | 129.8 Ų | 129.8 | 92% | 0.916 | 70% | 0.697 | S | S | * | * | trans | -61.1 | 127.9 | 167.5 | -75.8 | 177.3 | 144.3 | 0 | 0 | 109.3 | I74 | I74-E76 PolarHBondContact O-N 3.44Å; I74-E76 VanDerWaalsContact O-N 3.09Å | ||
| 77 | G | 54 | Low | 66.1 | Low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 68% | 0.684 | S | S | * | * | trans | 116.5 | 43.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | P75 | P75-G77 PolarHBondContact O-N 3.23Š| ||
| 78 | E | 59.7 | Low | 68 | Low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | trans | -107.6 | 106 | 146.6 | -164.1 | 166.3 | -163.3 | 0 | 0 | 107 | V80 | E78-V80 PolarHBondContact O-N 2.87Š| ||
| 79 | R | 62.6 | Low | 70.1 | Confident | 242 Ų | 242 | 129.2 Ų | 129.2 | 91% | 0.913 | 66% | 0.663 | S | S | * | * | trans | -64 | 101 | -178.5 | -153.1 | 178.3 | -165.5 | 176.8 | 2.2 | 106.3 | D81 | R79-D81 PolarHBondContact O-N 3.46Š| ||
| 80 | V | 66.9 | Low | 71.9 | Confident | 90 Ų | 90 | 127.9 Ų | 127.9 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | trans | -57.5 | 104.2 | 176.6 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | E78 F82 I85 | E78-V80 PolarHBondContact O-N 2.87Å; V80-F82 PolarHBondContact O-N 3.2Å; V80-I85 HydrophobicContact CG1-CD1 3.33Å; V80-I85 HydrophobicContact CG1-CG1 4.3Å | ||
| 81 | D | 78.2 | Confident | 73.8 | Confident | 80 Ų | 80 | 129.9 Ų | 129.9 | 43% | 0.428 | 65% | 0.65 | S | S | . | * | trans | -76.7 | 103.2 | 179.6 | -173.1 | 0.8 | 0 | 0 | 0 | 107.7 | R79 D83 D84 I85 R87 | R79-D81 PolarHBondContact O-N 3.46Å; D81-D83 PolarHBondContact O-N 3.42Å; D81-D83 PolarHBondContact OD1-N 2.87Å; D81-D84 HydrophobicContact CB-CB 3.78Å; D81-D84 WeakPolarHBondContact O-CA 3.33Å; D81-D84 WeakPolarHBondContact O-CB 3.11Å; D81-D84 PolarHBondContact O-N 2.86Å; D81-I85 PolarHBondContact O-N 3.32Å; D81-I85 VanDerWaalsContact O-N 3.09Å; D81-R87 IonicContact OD2-NH2 3.7Å | ||
| 82 | F | 79.1 | Confident | 75.7 | Confident | 146 Ų | 146 | 129.9 Ų | 129.9 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -61 | -27.6 | -179.4 | -71.7 | -82.2 | 0 | 0 | 0 | 111.8 | V80 I85 H86 | V80-F82 PolarHBondContact O-N 3.2Å; F82-I85 PolarHBondContact O-N 3.41Å; F82-H86 PolarHBondContact O-N 3.23Å; F82-H86 PolarHBondContact O-ND1 3.2Å |
| 83 | D | 85.3 | Confident | 77.4 | Confident | 106 Ų | 106 | 127 Ų | 127 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.3 | -33.7 | 174.6 | -69.6 | -15.1 | 0 | 0 | 0 | 111.1 | D81 H86 R87 | D81-D83 PolarHBondContact O-N 3.42Å; D81-D83 PolarHBondContact OD1-N 2.87Å; D83-H86 PolarHBondContact O-N 3.45Å; D83-R87 WeakPolarHBondContact O-CB 3.48Å; D83-R87 WeakPolarHBondContact O-CG 3.3Å; D83-R87 PolarHBondContact O-N 2.83Å |
| 84 | D | 88.5 | Confident | 79.6 | Confident | 53 Ų | 53 | 122.4 Ų | 122.4 | 28% | 0.283 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.4 | -39.3 | 174.3 | -170.8 | 52.6 | 0 | 0 | 0 | 112 | D81 R87 K88 | D81-D84 HydrophobicContact CB-CB 3.78Å; D81-D84 WeakPolarHBondContact O-CA 3.33Å; D81-D84 WeakPolarHBondContact O-CB 3.11Å; D81-D84 PolarHBondContact O-N 2.86Å; D84-R87 PolarHBondContact O-N 3.09Å; D84-R87 IonicContact OD1-NH2 3.76Å; D84-K88 WeakPolarHBondContact O-CB 3.41Å; D84-K88 VanDerWaalsContact O-CG 3.31Å; D84-K88 WeakPolarHBondContact O-CG 3.33Å; D84-K88 PolarHBondContact O-N 3.18Å; D84-K88 IonicContact OD1-NZ 3.42Å; D84-K88 WeakPolarHBondContact OD2-CE 3.24Å; D84-K88 IonicContact OD2-NZ 3.63Å; D84-K88 PolarHBondContact OD2-NZ 3.3Å |
| 85 | I | 86.6 | Confident | 81.5 | Confident | 85 Ų | 85 | 120.9 Ų | 120.9 | 44% | 0.436 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.9 | -44.7 | 173.3 | -67.2 | 179.3 | 0 | 0 | 0 | 110.9 | V80 D81 F82 K88 R89 | V80-I85 HydrophobicContact CG1-CD1 3.33Å; V80-I85 HydrophobicContact CG1-CG1 4.3Å; D81-I85 PolarHBondContact O-N 3.32Å; D81-I85 VanDerWaalsContact O-N 3.09Å; F82-I85 PolarHBondContact O-N 3.41Å; I85-K88 PolarHBondContact O-N 2.89Å; I85-R89 WeakPolarHBondContact O-CB 3.14Å; I85-R89 PolarHBondContact O-N 3.05Å |
| 86 | H | 89.9 | Confident | 83 | Confident | 115 Ų | 115 | 119.6 Ų | 119.6 | 53% | 0.532 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -42.4 | 178.2 | -78.6 | 84.5 | 0 | 0 | 0 | 112 | F82 D83 R89 M90 | F82-H86 PolarHBondContact O-N 3.23Å; F82-H86 PolarHBondContact O-ND1 3.2Å; D83-H86 PolarHBondContact O-N 3.45Å; H86-R89 PolarHBondContact O-N 3.33Å; H86-M90 WeakPolarHBondContact O-CG 3.23Å; H86-M90 PolarHBondContact O-N 2.92Å |
| 87 | R | 93.2 | Very high | 85.3 | Confident | 122 Ų | 122 | 114.7 Ų | 114.7 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.4 | -49.9 | 174.3 | -76.2 | -173.2 | -62.1 | -102.1 | -1.3 | 111.8 | D81 D83 D84 R89 M90 E91 | D81-R87 IonicContact OD2-NH2 3.7Å; D83-R87 WeakPolarHBondContact O-CB 3.48Å; D83-R87 WeakPolarHBondContact O-CG 3.3Å; D83-R87 PolarHBondContact O-N 2.83Å; D84-R87 PolarHBondContact O-N 3.09Å; D84-R87 IonicContact OD1-NH2 3.76Å; R87-R89 VanDerWaalsContact C-N 3.27Å; R87-R89 PolarHBondContact O-N 3.13Å; R87-M90 PolarHBondContact O-N 3.26Å; R87-M90 VanDerWaalsContact O-N 3.16Å; R87-E91 WeakPolarHBondContact O-CB 3.39Å; R87-E91 WeakPolarHBondContact O-CG 3.3Å; R87-E91 PolarHBondContact O-N 3.3Å |
| 88 | K | 93.1 | Very high | 87.2 | Confident | 119 Ų | 119 | 115.8 Ų | 115.8 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 178 | -75.9 | 172.6 | 175.4 | 166 | 0 | 112.6 | D84 I85 K92 | D84-K88 WeakPolarHBondContact O-CB 3.41Å; D84-K88 VanDerWaalsContact O-CG 3.31Å; D84-K88 WeakPolarHBondContact O-CG 3.33Å; D84-K88 PolarHBondContact O-N 3.18Å; D84-K88 IonicContact OD1-NZ 3.42Å; D84-K88 WeakPolarHBondContact OD2-CE 3.24Å; D84-K88 IonicContact OD2-NZ 3.63Å; D84-K88 PolarHBondContact OD2-NZ 3.3Å; I85-K88 PolarHBondContact O-N 2.89Å; K88-K92 VanDerWaalsContact O-CB 3.23Å; K88-K92 WeakPolarHBondContact O-CB 3.23Å; K88-K92 PolarHBondContact O-N 3.37Å |
| 89 | R | 93.3 | Very high | 89 | Confident | 162 Ų | 162 | 111 Ų | 111 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -50.5 | 173.4 | -178 | 179.3 | 179.5 | 174.3 | 3.8 | 111.2 | I85 H86 R87 E91 K92 D93 | I85-R89 WeakPolarHBondContact O-CB 3.14Å; I85-R89 PolarHBondContact O-N 3.05Å; H86-R89 PolarHBondContact O-N 3.33Å; R87-R89 VanDerWaalsContact C-N 3.27Å; R87-R89 PolarHBondContact O-N 3.13Å; R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 3.36Å; R89-K92 PolarHBondContact O-N 2.81Å; R89-D93 IonicContact NE-OD2 3.32Å; R89-D93 WeakPolarHBondContact O-CB 3.23Å; R89-D93 VanDerWaalsContact O-CG 3.23Å; R89-D93 PolarHBondContact O-N 2.82Å |
| 90 | M | 92.3 | Very high | 90.6 | Very high | 131 Ų | 131 | 104.6 Ų | 104.6 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 178.3 | -70.6 | -61.9 | -62.2 | 0 | 0 | 112.1 | H86 R87 L94 | H86-M90 WeakPolarHBondContact O-CG 3.23Å; H86-M90 PolarHBondContact O-N 2.92Å; R87-M90 PolarHBondContact O-N 3.26Å; R87-M90 VanDerWaalsContact O-N 3.16Å; M90-L94 WeakPolarHBondContact O-CB 3.35Å; M90-L94 PolarHBondContact O-N 2.99Å |
| 91 | E | 94.5 | Very high | 92 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 175.4 | -73.9 | 172.6 | -174.3 | 0 | 0 | 112 | R87 R89 L94 L95 | R87-E91 WeakPolarHBondContact O-CB 3.39Å; R87-E91 WeakPolarHBondContact O-CG 3.3Å; R87-E91 PolarHBondContact O-N 3.3Å; R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 3.36Å; E91-L94 PolarHBondContact O-N 3.41Å; E91-L95 WeakPolarHBondContact O-CB 3.3Å; E91-L95 PolarHBondContact O-N 3.21Å |
| 92 | K | 95.9 | Very high | 92.9 | Very high | 113 Ų | 113 | 104.6 Ų | 104.6 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 176.1 | -169.7 | -131.6 | 64.9 | 162.1 | 0 | 111.1 | K88 R89 L94 L95 E96 | K88-K92 VanDerWaalsContact O-CB 3.23Å; K88-K92 WeakPolarHBondContact O-CB 3.23Å; K88-K92 PolarHBondContact O-N 3.37Å; R89-K92 PolarHBondContact O-N 2.81Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 2.87Å; K92-L95 PolarHBondContact O-N 3.43Å; K92-E96 VanDerWaalsContact CE-OE2 3.3Å; K92-E96 WeakPolarHBondContact CE-OE2 3.35Å; K92-E96 IonicContact NZ-OE2 3.89Å; K92-E96 PolarHBondContact NZ-OE2 3.26Å; K92-E96 VanDerWaalsContact O-CB 3.24Å; K92-E96 WeakPolarHBondContact O-CB 3.48Å; K92-E96 PolarHBondContact O-N 3.32Å |
| 93 | D | 95.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 100.4 Ų | 100.4 | 32% | 0.316 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 179.5 | -67.2 | -15.9 | 0 | 0 | 0 | 110.9 | R89 L97 | R89-D93 IonicContact NE-OD2 3.32Å; R89-D93 WeakPolarHBondContact O-CB 3.23Å; R89-D93 VanDerWaalsContact O-CG 3.23Å; R89-D93 PolarHBondContact O-N 2.82Å; D93-L97 VanDerWaalsContact O-CB 3.28Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 2.91Å |
| 94 | L | 95.7 | Very high | 94.4 | Very high | 97 Ų | 97 | 100 Ų | 100 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 175 | -176 | 64.9 | 0 | 0 | 0 | 111.9 | M90 E91 K92 L97 H98 | M90-L94 WeakPolarHBondContact O-CB 3.35Å; M90-L94 PolarHBondContact O-N 2.99Å; E91-L94 PolarHBondContact O-N 3.41Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 3.45Å; L94-H98 PolarHBondContact O-CD2 2.94Å; L94-H98 PolarHBondContact O-N 3.48Å |
| 95 | L | 95.3 | Very high | 94.8 | Very high | 117 Ų | 117 | 103.9 Ų | 103.9 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.1 | -41 | 177.4 | -174.1 | 148.4 | 0 | 0 | 0 | 111.8 | E91 K92 H98 T99 | E91-L95 WeakPolarHBondContact O-CB 3.3Å; E91-L95 PolarHBondContact O-N 3.21Å; K92-L95 PolarHBondContact O-N 3.43Å; L95-H98 PolarHBondContact O-N 3.25Å; L95-T99 WeakPolarHBondContact O-CB 3.33Å; L95-T99 PolarHBondContact O-N 3.4Å; L95-T99 PolarHBondContact O-OG1 2.89Å |
| 96 | E | 95.3 | Very high | 95.3 | Very high | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174 | -174.3 | 171.1 | -178.7 | 0 | 0 | 110.7 | K92 T99 L100 | K92-E96 VanDerWaalsContact CE-OE2 3.3Å; K92-E96 WeakPolarHBondContact CE-OE2 3.35Å; K92-E96 IonicContact NZ-OE2 3.89Å; K92-E96 PolarHBondContact NZ-OE2 3.26Å; K92-E96 VanDerWaalsContact O-CB 3.24Å; K92-E96 WeakPolarHBondContact O-CB 3.48Å; K92-E96 PolarHBondContact O-N 3.32Å; E96-T99 PolarHBondContact O-N 3.3Å; E96-L100 HydrophobicContact CG-CD1 4.29Å; E96-L100 WeakPolarHBondContact O-CB 3.21Å; E96-L100 WeakPolarHBondContact O-CG 3.31Å; E96-L100 PolarHBondContact O-N 3.5Å |
| 97 | L | 96.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 175.3 | -178.5 | 62.5 | 0 | 0 | 0 | 112.2 | D93 L94 T99 L100 I101 | D93-L97 VanDerWaalsContact O-CB 3.28Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 2.91Å; L94-L97 PolarHBondContact O-N 3.45Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 2.87Å; L97-L100 PolarHBondContact O-N 2.79Å; L97-I101 HydrophobicContact CD1-CD1 4.14Å; L97-I101 HydrophobicContact CD1-CG1 4.37Å; L97-I101 HydrophobicContact CG-CD1 3.91Å; L97-I101 WeakPolarHBondContact O-CB 3.35Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 3.28Å |
| 98 | H | 95.3 | Very high | 95.9 | Very high | 103 Ų | 103 | 104.5 Ų | 104.5 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 175.4 | -84 | -66.9 | 0 | 0 | 0 | 112 | L94 L95 L100 I101 D102 | L94-H98 PolarHBondContact O-CD2 2.94Å; L94-H98 PolarHBondContact O-N 3.48Å; L95-H98 PolarHBondContact O-N 3.25Å; H98-L100 PolarHBondContact O-N 2.9Å; H98-I101 PolarHBondContact O-N 3.41Å; H98-D102 PolarHBondContact O-N 3.2Å |
| 99 | T | 96.2 | Very high | 96.1 | Very high | 80 Ų | 80 | 103.8 Ų | 103.8 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 178.7 | -54 | 0 | 0 | 0 | 0 | 111.5 | L95 E96 L97 A103 | L95-T99 WeakPolarHBondContact O-CB 3.33Å; L95-T99 PolarHBondContact O-N 3.4Å; L95-T99 PolarHBondContact O-OG1 2.89Å; E96-T99 PolarHBondContact O-N 3.3Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 2.87Å; T99-A103 WeakPolarHBondContact O-CB 3.31Å; T99-A103 PolarHBondContact O-N 2.93Å |
| 100 | L | 97.2 | Very high | 96.3 | Very high | 107 Ų | 107 | 101.3 Ų | 101.3 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -40.7 | 176 | -75.8 | 168.8 | 0 | 0 | 0 | 112.1 | E96 L97 H98 H104 | E96-L100 HydrophobicContact CG-CD1 4.29Å; E96-L100 WeakPolarHBondContact O-CB 3.21Å; E96-L100 WeakPolarHBondContact O-CG 3.31Å; E96-L100 PolarHBondContact O-N 3.5Å; L97-L100 PolarHBondContact O-N 2.79Å; H98-L100 PolarHBondContact O-N 2.9Å; L100-H104 WeakPolarHBondContact O-CB 3.47Å; L100-H104 PolarHBondContact O-N 3.24Å |
| 101 | I | 96.3 | Very high | 96.5 | Very high | 67 Ų | 67 | 98.7 Ų | 98.7 | 34% | 0.344 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -51.7 | 175.9 | -72.6 | 167.9 | 0 | 0 | 0 | 110 | L97 H98 A103 H104 F105 | L97-I101 HydrophobicContact CD1-CD1 4.14Å; L97-I101 HydrophobicContact CD1-CG1 4.37Å; L97-I101 HydrophobicContact CG-CD1 3.91Å; L97-I101 WeakPolarHBondContact O-CB 3.35Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 3.28Å; H98-I101 PolarHBondContact O-N 3.41Å; I101-A103 PolarHBondContact O-N 3.46Å; I101-H104 PolarHBondContact O-N 2.81Å; I101-F105 HydrophobicContact CG2-CD2 3.69Å; I101-F105 HydrophobicContact CG2-CE2 3.64Å; I101-F105 VanDerWaalsContact O-CD2 3.22Å; I101-F105 WeakPolarHBondContact O-CD2 3.33Å; I101-F105 PolarHBondContact O-N 2.68Å |
| 102 | D | 96.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | -178.9 | -69.6 | -17.7 | 0 | 0 | 0 | 111.3 | H98 H104 F105 E106 | H98-D102 PolarHBondContact O-N 3.2Å; D102-H104 VanDerWaalsContact C-N 3.33Å; D102-H104 PolarHBondContact O-N 3.48Å; D102-F105 PolarHBondContact O-N 3.32Å; D102-E106 WeakPolarHBondContact O-CB 3.11Å; D102-E106 WeakPolarHBondContact O-CG 3.12Å; D102-E106 PolarHBondContact O-N 3.19Å |
| 103 | A | 97.3 | Very high | 96.7 | Very high | 58 Ų | 58 | 97.9 Ų | 97.9 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T99 I101 Q107 | T99-A103 WeakPolarHBondContact O-CB 3.31Å; T99-A103 PolarHBondContact O-N 2.93Å; I101-A103 PolarHBondContact O-N 3.46Å; A103-Q107 VanDerWaalsContact O-CB 3.22Å; A103-Q107 WeakPolarHBondContact O-CB 3.43Å; A103-Q107 PolarHBondContact O-N 3.41Å |
| 104 | H | 97.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 101.7 Ų | 101.7 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 177.1 | -175.7 | 77.2 | 0 | 0 | 0 | 111.6 | L100 I101 D102 Q107 R108 | L100-H104 WeakPolarHBondContact O-CB 3.47Å; L100-H104 PolarHBondContact O-N 3.24Å; I101-H104 PolarHBondContact O-N 2.81Å; D102-H104 VanDerWaalsContact C-N 3.33Å; D102-H104 PolarHBondContact O-N 3.48Å; H104-Q107 PolarHBondContact O-N 2.86Å; H104-R108 PolarHBondContact CE1-NH1 2.84Å; H104-R108 VanDerWaalsContact CE1-NH1 3.32Å; H104-R108 PolarHBondContact NE2-NH1 3.5Å; H104-R108 VanDerWaalsContact O-CB 3.3Å; H104-R108 WeakPolarHBondContact O-CB 3.28Å; H104-R108 PolarHBondContact O-N 3.5Å |
| 105 | F | 98 | Very high | 96.9 | Very high | 133 Ų | 133 | 101.2 Ų | 101.2 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 179.9 | -79.6 | -66.3 | 0 | 0 | 0 | 112.5 | I101 D102 R108 K109 | I101-F105 HydrophobicContact CG2-CD2 3.69Å; I101-F105 HydrophobicContact CG2-CE2 3.64Å; I101-F105 VanDerWaalsContact O-CD2 3.22Å; I101-F105 WeakPolarHBondContact O-CD2 3.33Å; I101-F105 PolarHBondContact O-N 2.68Å; D102-F105 PolarHBondContact O-N 3.32Å; F105-R108 PolarHBondContact O-N 2.9Å; F105-K109 WeakPolarHBondContact O-CB 3.38Å; F105-K109 PolarHBondContact O-N 3.3Å |
| 106 | E | 97.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.4 | -75.7 | -64.1 | 142.6 | 0 | 0 | 112.1 | D102 K110 | D102-E106 WeakPolarHBondContact O-CB 3.11Å; D102-E106 WeakPolarHBondContact O-CG 3.12Å; D102-E106 PolarHBondContact O-N 3.19Å; E106-K110 VanDerWaalsContact O-CG 3.29Å; E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.39Å; E106-K110 VanDerWaalsContact O-N 3.12Å |
| 107 | Q | 97.5 | Very high | 97.1 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -51.7 | 174.1 | -174.7 | 60.3 | 45.1 | 0 | 0 | 110.7 | A103 H104 K109 K110 D111 | A103-Q107 VanDerWaalsContact O-CB 3.22Å; A103-Q107 WeakPolarHBondContact O-CB 3.43Å; A103-Q107 PolarHBondContact O-N 3.41Å; H104-Q107 PolarHBondContact O-N 2.86Å; Q107-K109 VanDerWaalsContact C-N 3.28Å; Q107-K109 PolarHBondContact O-N 3.04Å; Q107-K110 PolarHBondContact O-N 3.48Å; Q107-K110 VanDerWaalsContact O-N 3.14Å; Q107-D111 PolarHBondContact NE2-OD1 3.23Å; Q107-D111 PolarHBondContact NE2-OD2 3.47Å; Q107-D111 PolarHBondContact O-N 3.47Å |
| 108 | R | 97.5 | Very high | 97.1 | Very high | 134 Ų | 134 | 95.9 Ų | 95.9 | 51% | 0.506 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | -178.2 | -147.4 | -176.3 | -170.6 | 101.9 | 9.1 | 112.1 | H104 F105 D111 E112 | H104-R108 PolarHBondContact CE1-NH1 2.84Å; H104-R108 VanDerWaalsContact CE1-NH1 3.32Å; H104-R108 PolarHBondContact NE2-NH1 3.5Å; H104-R108 VanDerWaalsContact O-CB 3.3Å; H104-R108 WeakPolarHBondContact O-CB 3.28Å; H104-R108 PolarHBondContact O-N 3.5Å; F105-R108 PolarHBondContact O-N 2.9Å; R108-D111 PolarHBondContact O-N 3.32Å; R108-E112 WeakPolarHBondContact O-CB 3.35Å; R108-E112 VanDerWaalsContact O-CG 3.28Å; R108-E112 WeakPolarHBondContact O-CG 3.12Å; R108-E112 PolarHBondContact O-N 3.08Å |
| 109 | K | 97.6 | Very high | 97.2 | Very high | 104 Ų | 104 | 96.9 Ų | 96.9 | 45% | 0.452 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.6 | -176.3 | -177.2 | 174.8 | -168.6 | 0 | 111.9 | F105 Q107 E112 E113 | F105-K109 WeakPolarHBondContact O-CB 3.38Å; F105-K109 PolarHBondContact O-N 3.3Å; Q107-K109 VanDerWaalsContact C-N 3.28Å; Q107-K109 PolarHBondContact O-N 3.04Å; K109-E112 PolarHBondContact O-N 2.85Å; K109-E113 WeakPolarHBondContact CE-OE1 3.32Å; K109-E113 WeakPolarHBondContact O-CB 3.36Å; K109-E113 VanDerWaalsContact O-CG 3.31Å; K109-E113 WeakPolarHBondContact O-CG 3.49Å; K109-E113 PolarHBondContact O-N 3.5Å |
| 110 | K | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 97.4 Ų | 97.4 | 48% | 0.478 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.3 | -72.7 | 171.4 | -172.8 | 172.4 | 0 | 111.3 | E106 Q107 E112 E113 E114 | E106-K110 VanDerWaalsContact O-CG 3.29Å; E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.39Å; E106-K110 VanDerWaalsContact O-N 3.12Å; Q107-K110 PolarHBondContact O-N 3.48Å; Q107-K110 VanDerWaalsContact O-N 3.14Å; K110-E112 VanDerWaalsContact C-N 3.33Å; K110-E112 PolarHBondContact O-N 2.78Å; K110-E113 PolarHBondContact O-N 3.25Å; K110-E114 WeakPolarHBondContact O-CG 3.34Å; K110-E114 PolarHBondContact O-N 2.88Å |
| 111 | D | 96.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 99.2 Ų | 99.2 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 178.3 | -62.1 | -18.7 | 0 | 0 | 0 | 111.3 | Q107 R108 E114 L115 | Q107-D111 PolarHBondContact NE2-OD1 3.23Å; Q107-D111 PolarHBondContact NE2-OD2 3.47Å; Q107-D111 PolarHBondContact O-N 3.47Å; R108-D111 PolarHBondContact O-N 3.32Å; D111-E114 PolarHBondContact O-N 3.07Å; D111-L115 VanDerWaalsContact O-CB 3.23Å; D111-L115 WeakPolarHBondContact O-CB 3.31Å; D111-L115 PolarHBondContact O-N 2.92Å |
| 112 | E | 96.8 | Very high | 97.4 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.5 | -77.9 | 176.3 | -167.1 | 0 | 0 | 112.1 | R108 K109 K110 E114 L115 I116 | R108-E112 WeakPolarHBondContact O-CB 3.35Å; R108-E112 VanDerWaalsContact O-CG 3.28Å; R108-E112 WeakPolarHBondContact O-CG 3.12Å; R108-E112 PolarHBondContact O-N 3.08Å; K109-E112 PolarHBondContact O-N 2.85Å; K110-E112 VanDerWaalsContact C-N 3.33Å; K110-E112 PolarHBondContact O-N 2.78Å; E112-E114 PolarHBondContact O-N 3.46Å; E112-L115 PolarHBondContact O-N 2.84Å; E112-I116 WeakPolarHBondContact O-CB 3.39Å; E112-I116 WeakPolarHBondContact O-CD1 3.24Å; E112-I116 WeakPolarHBondContact O-CG1 3.35Å; E112-I116 PolarHBondContact O-N 2.88Å |
| 113 | E | 97.3 | Very high | 97.4 | Very high | 115 Ų | 115 | 100.2 Ų | 100.2 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.3 | -75.8 | 175.7 | -170.7 | 0 | 0 | 111.7 | K109 K110 G117 | K109-E113 WeakPolarHBondContact CE-OE1 3.32Å; K109-E113 WeakPolarHBondContact O-CB 3.36Å; K109-E113 VanDerWaalsContact O-CG 3.31Å; K109-E113 WeakPolarHBondContact O-CG 3.49Å; K109-E113 PolarHBondContact O-N 3.5Å; K110-E113 PolarHBondContact O-N 3.25Å; E113-G117 PolarHBondContact O-N 2.88Å |
| 114 | E | 96.9 | Very high | 97.4 | Very high | 139 Ų | 139 | 103 Ų | 103 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 175.7 | -73.3 | -176.4 | -170.1 | 0 | 0 | 112.1 | K110 D111 E112 G117 L118 | K110-E114 WeakPolarHBondContact O-CG 3.34Å; K110-E114 PolarHBondContact O-N 2.88Å; D111-E114 PolarHBondContact O-N 3.07Å; E112-E114 PolarHBondContact O-N 3.46Å; E114-G117 PolarHBondContact O-N 3.39Å; E114-L118 WeakPolarHBondContact O-CB 3.42Å; E114-L118 PolarHBondContact O-N 3.49Å |
| 115 | L | 97.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 46% | 0.461 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 178.1 | -177.1 | 62.7 | 0 | 0 | 0 | 111.5 | D111 E112 L118 K119 | D111-L115 VanDerWaalsContact O-CB 3.23Å; D111-L115 WeakPolarHBondContact O-CB 3.31Å; D111-L115 PolarHBondContact O-N 2.92Å; E112-L115 PolarHBondContact O-N 2.84Å; L115-L118 PolarHBondContact O-N 3.23Å; L115-K119 HydrophobicContact CG-CD 4.39Å; L115-K119 WeakPolarHBondContact O-CB 3.35Å; L115-K119 WeakPolarHBondContact O-CG 3.27Å; L115-K119 PolarHBondContact O-N 3.13Å |
| 116 | I | 96.7 | Very high | 97.4 | Very high | 96 Ų | 96 | 106.1 Ų | 106.1 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 174.4 | -69.8 | 164.8 | 0 | 0 | 0 | 109.4 | E112 L118 K119 D120 | E112-I116 WeakPolarHBondContact O-CB 3.39Å; E112-I116 WeakPolarHBondContact O-CD1 3.24Å; E112-I116 WeakPolarHBondContact O-CG1 3.35Å; E112-I116 PolarHBondContact O-N 2.88Å; I116-L118 VanDerWaalsContact C-N 3.26Å; I116-L118 PolarHBondContact O-N 2.94Å; I116-K119 PolarHBondContact O-N 3.37Å; I116-K119 VanDerWaalsContact O-N 3.11Å; I116-D120 VanDerWaalsContact O-CG 3.31Å; I116-D120 PolarHBondContact O-N 3.07Å |
| 117 | G | 97.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 104.1 Ų | 104.1 | 23% | 0.227 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60.5 | -33.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | E113 E114 R121 | E113-G117 PolarHBondContact O-N 2.88Å; E114-G117 PolarHBondContact O-N 3.39Å; G117-R121 WeakPolarHBondContact O-CG 3.32Å; G117-R121 PolarHBondContact O-N 3.43Å; G117-R121 PolarHBondContact O-NH1 3.49Å; G117-R121 VanDerWaalsContact O-NH1 3.11Å |
| 118 | L | 97.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 39% | 0.387 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 174 | -178.2 | 62.6 | 0 | 0 | 0 | 111.8 | E114 L115 I116 D120 R121 I122 | E114-L118 WeakPolarHBondContact O-CB 3.42Å; E114-L118 PolarHBondContact O-N 3.49Å; L115-L118 PolarHBondContact O-N 3.23Å; I116-L118 VanDerWaalsContact C-N 3.26Å; I116-L118 PolarHBondContact O-N 2.94Å; L118-D120 PolarHBondContact O-N 3.29Å; L118-R121 PolarHBondContact O-N 2.98Å; L118-I122 HydrophobicContact CD1-CD1 4.34Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 WeakPolarHBondContact O-CG1 3.22Å; L118-I122 PolarHBondContact O-N 2.9Å |
| 119 | K | 97.4 | Very high | 97.3 | Very high | 124 Ų | 124 | 105 Ų | 105 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 176.5 | -76.4 | 178.3 | 177.8 | -179.2 | 0 | 111.3 | L115 I116 R121 I122 E123 | L115-K119 HydrophobicContact CG-CD 4.39Å; L115-K119 WeakPolarHBondContact O-CB 3.35Å; L115-K119 WeakPolarHBondContact O-CG 3.27Å; L115-K119 PolarHBondContact O-N 3.13Å; I116-K119 PolarHBondContact O-N 3.37Å; I116-K119 VanDerWaalsContact O-N 3.11Å; K119-R121 VanDerWaalsContact C-N 3.31Å; K119-R121 PolarHBondContact O-N 3.43Å; K119-I122 PolarHBondContact O-N 3.37Å; K119-E123 WeakPolarHBondContact O-CB 3.22Å; K119-E123 PolarHBondContact O-N 3.44Å |
| 120 | D | 97.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 102.7 Ų | 102.7 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 177.8 | -69.8 | -6.6 | 0 | 0 | 0 | 111.7 | I116 L118 E123 H124 | I116-D120 VanDerWaalsContact O-CG 3.31Å; I116-D120 PolarHBondContact O-N 3.07Å; L118-D120 PolarHBondContact O-N 3.29Å; D120-E123 PolarHBondContact O-N 3.3Å; D120-H124 VanDerWaalsContact O-CB 3.27Å; D120-H124 WeakPolarHBondContact O-CB 3.32Å; D120-H124 PolarHBondContact O-N 2.81Å |
| 121 | R | 98.1 | Very high | 97.2 | Very high | 145 Ų | 145 | 101.5 Ų | 101.5 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 175.5 | -72.6 | -170.7 | -57.3 | -89.4 | 5.3 | 112.7 | G117 L118 K119 R125 | G117-R121 WeakPolarHBondContact O-CG 3.32Å; G117-R121 PolarHBondContact O-N 3.43Å; G117-R121 PolarHBondContact O-NH1 3.49Å; G117-R121 VanDerWaalsContact O-NH1 3.11Å; L118-R121 PolarHBondContact O-N 2.98Å; K119-R121 VanDerWaalsContact C-N 3.31Å; K119-R121 PolarHBondContact O-N 3.43Å; R121-R125 WeakPolarHBondContact O-CG 3.27Å; R121-R125 PolarHBondContact O-N 2.84Å; R121-R125 PolarHBondContact O-NE 3.23Å |
| 122 | I | 97.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 102 Ų | 102 | 31% | 0.308 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.7 | -47.1 | 176 | -69.8 | 169.8 | 0 | 0 | 0 | 109.8 | L118 K119 H124 R125 R126 | L118-I122 HydrophobicContact CD1-CD1 4.34Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 WeakPolarHBondContact O-CG1 3.22Å; L118-I122 PolarHBondContact O-N 2.9Å; K119-I122 PolarHBondContact O-N 3.37Å; I122-H124 VanDerWaalsContact C-N 3.35Å; I122-H124 PolarHBondContact O-N 3.24Å; I122-R125 PolarHBondContact O-N 3.28Å; I122-R126 HydrophobicContact CG2-CG 4.47Å; I122-R126 WeakPolarHBondContact O-CG 3.43Å; I122-R126 PolarHBondContact O-N 3.27Å |
| 123 | E | 97.4 | Very high | 97 | Very high | 130 Ų | 130 | 103.2 Ų | 103.2 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -44.4 | 178.3 | -174.4 | 171.4 | -166.3 | 0 | 0 | 111.1 | K119 D120 R125 R126 A127 | K119-E123 WeakPolarHBondContact O-CB 3.22Å; K119-E123 PolarHBondContact O-N 3.44Å; D120-E123 PolarHBondContact O-N 3.3Å; E123-R125 PolarHBondContact O-N 3.46Å; E123-R126 PolarHBondContact O-N 2.99Å; E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.08Å |
| 124 | H | 97.7 | Very high | 96.9 | Very high | 117 Ų | 117 | 103.9 Ų | 103.9 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 175.4 | -169.4 | 65.5 | 0 | 0 | 0 | 112 | D120 I122 R126 A127 E128 | D120-H124 VanDerWaalsContact O-CB 3.27Å; D120-H124 WeakPolarHBondContact O-CB 3.32Å; D120-H124 PolarHBondContact O-N 2.81Å; I122-H124 VanDerWaalsContact C-N 3.35Å; I122-H124 PolarHBondContact O-N 3.24Å; H124-R126 VanDerWaalsContact C-N 3.34Å; H124-R126 PolarHBondContact O-N 2.89Å; H124-A127 PolarHBondContact O-N 2.86Å; H124-E128 IonicContact CD2-OE1 3.27Å; H124-E128 IonicContact NE2-OE1 2.68Å; H124-E128 PolarHBondContact NE2-OE1 2.88Å; H124-E128 WeakPolarHBondContact O-CG 3.34Å; H124-E128 PolarHBondContact O-N 3.39Å |
| 125 | R | 97.8 | Very high | 96.9 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 46% | 0.464 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 177 | -73.9 | -175.7 | -65.9 | -162.7 | 3.6 | 112.8 | R121 I122 E123 R129 | R121-R125 WeakPolarHBondContact O-CG 3.27Å; R121-R125 PolarHBondContact O-N 2.84Å; R121-R125 PolarHBondContact O-NE 3.23Å; I122-R125 PolarHBondContact O-N 3.28Å; E123-R125 PolarHBondContact O-N 3.46Å; R125-R129 VanDerWaalsContact O-CG 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.25Å; R125-R129 PolarHBondContact O-N 3.37Å |
| 126 | R | 97.4 | Very high | 96.8 | Very high | 173 Ų | 173 | 103.9 Ų | 103.9 | 65% | 0.653 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 174.6 | -76.5 | 179.8 | 175.2 | -177.3 | -2.5 | 110.8 | I122 E123 H124 E128 R129 A130 | I122-R126 HydrophobicContact CG2-CG 4.47Å; I122-R126 WeakPolarHBondContact O-CG 3.43Å; I122-R126 PolarHBondContact O-N 3.27Å; E123-R126 PolarHBondContact O-N 2.99Å; H124-R126 VanDerWaalsContact C-N 3.34Å; H124-R126 PolarHBondContact O-N 2.89Å; R126-E128 PolarHBondContact O-N 2.92Å; R126-R129 PolarHBondContact O-N 3.02Å; R126-A130 WeakPolarHBondContact O-CB 3.46Å; R126-A130 PolarHBondContact O-N 2.91Å |
| 127 | A | 95.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E123 H124 A130 E131 | E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.08Å; H124-A127 PolarHBondContact O-N 2.86Å; A127-A130 PolarHBondContact O-N 3.03Å; A127-E131 WeakPolarHBondContact O-CB 3.23Å; A127-E131 PolarHBondContact O-N 3.45Å |
| 128 | E | 96.9 | Very high | 96.5 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.9 | -74.3 | -175.9 | 140.1 | 0 | 0 | 112.2 | H124 R126 E131 I132 | H124-E128 IonicContact CD2-OE1 3.27Å; H124-E128 IonicContact NE2-OE1 2.68Å; H124-E128 PolarHBondContact NE2-OE1 2.88Å; H124-E128 WeakPolarHBondContact O-CG 3.34Å; H124-E128 PolarHBondContact O-N 3.39Å; R126-E128 PolarHBondContact O-N 2.92Å; E128-E131 PolarHBondContact O-N 3.08Å; E128-I132 WeakPolarHBondContact O-CB 3.44Å; E128-I132 VanDerWaalsContact O-CG1 3.23Å; E128-I132 WeakPolarHBondContact O-CG1 3.3Å; E128-I132 PolarHBondContact O-N 2.85Å |
| 129 | R | 97.6 | Very high | 96.4 | Very high | 158 Ų | 158 | 110 Ų | 110 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 175.8 | -71.3 | 172.7 | -167 | 166.4 | 0.3 | 111.6 | R125 R126 E131 I132 Q133 | R125-R129 VanDerWaalsContact O-CG 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.25Å; R125-R129 PolarHBondContact O-N 3.37Å; R126-R129 PolarHBondContact O-N 3.02Å; R129-E131 VanDerWaalsContact C-N 3.31Å; R129-E131 PolarHBondContact O-N 3.35Å; R129-I132 PolarHBondContact O-N 3.18Å; R129-Q133 WeakPolarHBondContact O-CG 3.37Å; R129-Q133 PolarHBondContact O-N 2.86Å |
| 130 | A | 96.1 | Very high | 96.2 | Very high | 54 Ų | 54 | 108.1 Ų | 108.1 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R126 A127 Q133 R134 | R126-A130 WeakPolarHBondContact O-CB 3.46Å; R126-A130 PolarHBondContact O-N 2.91Å; A127-A130 PolarHBondContact O-N 3.03Å; A130-Q133 PolarHBondContact O-N 2.91Å; A130-R134 WeakPolarHBondContact O-CB 3.45Å; A130-R134 PolarHBondContact O-N 2.96Å |
| 131 | E | 96.5 | Very high | 96 | Very high | 85 Ų | 85 | 110.5 Ų | 110.5 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 177 | -175 | 58.7 | -161.3 | 0 | 0 | 112 | A127 E128 R129 Q133 R134 V135 | A127-E131 WeakPolarHBondContact O-CB 3.23Å; A127-E131 PolarHBondContact O-N 3.45Å; E128-E131 PolarHBondContact O-N 3.08Å; R129-E131 VanDerWaalsContact C-N 3.31Å; R129-E131 PolarHBondContact O-N 3.35Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 3.34Å; E131-R134 PolarHBondContact O-N 3.48Å; E131-R134 IonicContact OE1-CZ 2.83Å; E131-R134 IonicContact OE1-NE 2.67Å; E131-R134 PolarHBondContact OE1-NE 3.32Å; E131-R134 IonicContact OE1-NH2 3.46Å; E131-R134 PolarHBondContact OE1-NH2 3.33Å; E131-R134 IonicContact OE2-CZ 2.91Å; E131-R134 IonicContact OE2-NE 3.38Å; E131-R134 PolarHBondContact OE2-NE 3.44Å; E131-R134 IonicContact OE2-NH2 2.99Å; E131-V135 WeakPolarHBondContact O-CB 3.45Å; E131-V135 WeakPolarHBondContact O-CG2 3.48Å; E131-V135 PolarHBondContact O-N 2.96Å |
| 132 | I | 96.6 | Very high | 95.7 | Very high | 86 Ų | 86 | 108.7 Ų | 108.7 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 173.4 | -71.5 | 164.3 | 0 | 0 | 0 | 110.6 | E128 R129 V135 R136 | E128-I132 WeakPolarHBondContact O-CB 3.44Å; E128-I132 VanDerWaalsContact O-CG1 3.23Å; E128-I132 WeakPolarHBondContact O-CG1 3.3Å; E128-I132 PolarHBondContact O-N 2.85Å; R129-I132 PolarHBondContact O-N 3.18Å; I132-V135 PolarHBondContact O-N 3.03Å; I132-R136 WeakPolarHBondContact O-CB 3.37Å; I132-R136 WeakPolarHBondContact O-CG 3.49Å; I132-R136 PolarHBondContact O-N 3.21Å |
| 133 | Q | 93.6 | Very high | 95.6 | Very high | 132 Ų | 132 | 112.7 Ų | 112.7 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -44 | 176.3 | -74.3 | 178.1 | -14.8 | 0 | 0 | 111.4 | R129 A130 E131 V135 R136 A137 | R129-Q133 WeakPolarHBondContact O-CG 3.37Å; R129-Q133 PolarHBondContact O-N 2.86Å; A130-Q133 PolarHBondContact O-N 2.91Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 3.34Å; Q133-V135 PolarHBondContact O-N 2.91Å; Q133-R136 PolarHBondContact O-N 3.39Å; Q133-A137 WeakPolarHBondContact O-CB 3.36Å; Q133-A137 PolarHBondContact O-N 2.71Å |
| 134 | R | 95.6 | Very high | 95.2 | Very high | 129 Ų | 129 | 111.1 Ų | 111.1 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 176.8 | -165.8 | -173.9 | 75.5 | 76.4 | 3.1 | 111.6 | A130 E131 R136 A137 E138 | A130-R134 WeakPolarHBondContact O-CB 3.45Å; A130-R134 PolarHBondContact O-N 2.96Å; E131-R134 PolarHBondContact O-N 3.48Å; E131-R134 IonicContact OE1-CZ 2.83Å; E131-R134 IonicContact OE1-NE 2.67Å; E131-R134 PolarHBondContact OE1-NE 3.32Å; E131-R134 IonicContact OE1-NH2 3.46Å; E131-R134 PolarHBondContact OE1-NH2 3.33Å; E131-R134 IonicContact OE2-CZ 2.91Å; E131-R134 IonicContact OE2-NE 3.38Å; E131-R134 PolarHBondContact OE2-NE 3.44Å; E131-R134 IonicContact OE2-NH2 2.99Å; R134-R136 PolarHBondContact O-N 2.81Å; R134-A137 PolarHBondContact O-N 3.09Å; R134-E138 IonicContact CZ-OE2 3.98Å; R134-E138 IonicContact NH1-OE2 3.95Å; R134-E138 PolarHBondContact NH1-OE2 3.32Å; R134-E138 VanDerWaalsContact NH1-OE2 3.09Å; R134-E138 WeakPolarHBondContact O-CB 3.32Å; R134-E138 PolarHBondContact O-N 2.86Å |
| 135 | V | 96 | Very high | 94.7 | Very high | 49 Ų | 49 | 109.7 Ų | 109.7 | 30% | 0.297 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 178.4 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | E131 I132 Q133 K139 | E131-V135 WeakPolarHBondContact O-CB 3.45Å; E131-V135 WeakPolarHBondContact O-CG2 3.48Å; E131-V135 PolarHBondContact O-N 2.96Å; I132-V135 PolarHBondContact O-N 3.03Å; Q133-V135 PolarHBondContact O-N 2.91Å; V135-K139 HydrophobicContact CG1-CD 4.27Å; V135-K139 WeakPolarHBondContact O-CB 3.38Å; V135-K139 WeakPolarHBondContact O-CG 3.45Å; V135-K139 PolarHBondContact O-N 3.39Å |
| 136 | R | 95.5 | Very high | 94.4 | Very high | 177 Ų | 177 | 112.2 Ų | 112.2 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -46.7 | 174.4 | -75.8 | 178 | -175.7 | 172.4 | 2.3 | 111.4 | I132 Q133 R134 E138 K139 E140 | I132-R136 WeakPolarHBondContact O-CB 3.37Å; I132-R136 WeakPolarHBondContact O-CG 3.49Å; I132-R136 PolarHBondContact O-N 3.21Å; Q133-R136 PolarHBondContact O-N 3.39Å; R134-R136 PolarHBondContact O-N 2.81Å; R136-E138 VanDerWaalsContact C-N 3.35Å; R136-E138 PolarHBondContact O-N 3.44Å; R136-K139 PolarHBondContact O-N 2.95Å; R136-E140 PolarHBondContact O-N 3.32Å |
| 137 | A | 94.1 | Very high | 93.9 | Very high | 64 Ų | 64 | 107.7 Ų | 107.7 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q133 R134 E140 K141 | Q133-A137 WeakPolarHBondContact O-CB 3.36Å; Q133-A137 PolarHBondContact O-N 2.71Å; R134-A137 PolarHBondContact O-N 3.09Å; A137-E140 PolarHBondContact O-N 2.88Å; A137-K141 VanDerWaalsContact O-CB 3.29Å; A137-K141 WeakPolarHBondContact O-CB 3.38Å; A137-K141 PolarHBondContact O-N 3.16Å |
| 138 | E | 93.8 | Very high | 93.5 | Very high | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.7 | -174.3 | 168.3 | -170.2 | 0 | 0 | 111.9 | R134 R136 K141 D142 | R134-E138 IonicContact CZ-OE2 3.98Å; R134-E138 IonicContact NH1-OE2 3.95Å; R134-E138 PolarHBondContact NH1-OE2 3.32Å; R134-E138 VanDerWaalsContact NH1-OE2 3.09Å; R134-E138 WeakPolarHBondContact O-CB 3.32Å; R134-E138 PolarHBondContact O-N 2.86Å; R136-E138 VanDerWaalsContact C-N 3.35Å; R136-E138 PolarHBondContact O-N 3.44Å; E138-K141 PolarHBondContact O-N 3.43Å; E138-D142 WeakPolarHBondContact O-CB 3.33Å; E138-D142 PolarHBondContact O-N 3.03Å |
| 139 | K | 95.6 | Very high | 92.9 | Very high | 149 Ų | 149 | 109.8 Ų | 109.8 | 65% | 0.648 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 175.2 | -77.6 | 179.3 | -179.9 | 178.4 | 0 | 112.9 | V135 R136 D142 R143 | V135-K139 HydrophobicContact CG1-CD 4.27Å; V135-K139 WeakPolarHBondContact O-CB 3.38Å; V135-K139 WeakPolarHBondContact O-CG 3.45Å; V135-K139 PolarHBondContact O-N 3.39Å; R136-K139 PolarHBondContact O-N 2.95Å; K139-D142 PolarHBondContact O-N 3.47Å; K139-R143 WeakPolarHBondContact O-CB 3.28Å; K139-R143 PolarHBondContact O-N 3.14Å |
| 140 | E | 93.1 | Very high | 92.2 | Very high | 83 Ų | 83 | 108.4 Ų | 108.4 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 177.1 | -175.1 | 54.6 | -149.2 | 0 | 0 | 110.9 | R136 A137 D142 R143 Q144 | R136-E140 PolarHBondContact O-N 3.32Å; A137-E140 PolarHBondContact O-N 2.88Å; E140-D142 VanDerWaalsContact C-N 3.35Å; E140-D142 PolarHBondContact O-N 3.13Å; E140-R143 WeakPolarHBondContact O-CB 3.33Å; E140-R143 PolarHBondContact O-N 2.9Å; E140-R143 IonicContact OE1-NH1 3.33Å; E140-Q144 VanDerWaalsContact O-CG 3.31Å; E140-Q144 WeakPolarHBondContact O-CG 3.38Å; E140-Q144 PolarHBondContact O-N 3.38Å; E140-Q144 PolarHBondContact OE1-NE2 2.95Å |
| 141 | K | 94.3 | Very high | 91.5 | Very high | 141 Ų | 141 | 114 Ų | 114 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60 | -43.6 | 174 | -173.1 | -179.1 | -179.5 | -178.6 | 0 | 112 | A137 E138 Q144 N145 | A137-K141 VanDerWaalsContact O-CB 3.29Å; A137-K141 WeakPolarHBondContact O-CB 3.38Å; A137-K141 PolarHBondContact O-N 3.16Å; E138-K141 PolarHBondContact O-N 3.43Å; K141-Q144 PolarHBondContact O-N 2.89Å; K141-N145 WeakPolarHBondContact O-CB 3.36Å; K141-N145 PolarHBondContact O-N 3.42Å; K141-N145 PolarHBondContact O-ND2 2.96Å |
| 142 | D | 92.3 | Very high | 90.6 | Very high | 107 Ų | 107 | 114.7 Ų | 114.7 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 176.4 | -171.7 | 62.2 | 0 | 0 | 0 | 111.9 | E138 K139 E140 Q144 N145 R146 | E138-D142 WeakPolarHBondContact O-CB 3.33Å; E138-D142 PolarHBondContact O-N 3.03Å; K139-D142 PolarHBondContact O-N 3.47Å; E140-D142 VanDerWaalsContact C-N 3.35Å; E140-D142 PolarHBondContact O-N 3.13Å; D142-Q144 PolarHBondContact O-N 3.31Å; D142-N145 PolarHBondContact O-N 3.42Å; D142-R146 WeakPolarHBondContact O-CB 3.47Å; D142-R146 PolarHBondContact O-N 3.47Å |
| 143 | R | 93.3 | Very high | 89.9 | Confident | 145 Ų | 145 | 118.4 Ų | 118.4 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 174.3 | -176.5 | 174.8 | 177 | -96.1 | -1.8 | 111.9 | K139 E140 R146 I147 | K139-R143 WeakPolarHBondContact O-CB 3.28Å; K139-R143 PolarHBondContact O-N 3.14Å; E140-R143 WeakPolarHBondContact O-CB 3.33Å; E140-R143 PolarHBondContact O-N 2.9Å; E140-R143 IonicContact OE1-NH1 3.33Å; R143-R146 PolarHBondContact O-N 2.97Å; R143-I147 HydrophobicContact CG-CD1 4.2Å; R143-I147 VanDerWaalsContact O-CG1 3.3Å; R143-I147 WeakPolarHBondContact O-CG1 3.5Å; R143-I147 PolarHBondContact O-N 3.35Å; R143-I147 VanDerWaalsContact O-N 3.07Å |
| 144 | Q | 89.3 | Confident | 89.3 | Confident | 97 Ų | 97 | 118.3 Ų | 118.3 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.9 | -67.4 | -62.3 | -26.6 | 0 | 0 | 111.5 | E140 K141 D142 R146 I147 A148 | E140-Q144 VanDerWaalsContact O-CG 3.31Å; E140-Q144 WeakPolarHBondContact O-CG 3.38Å; E140-Q144 PolarHBondContact O-N 3.38Å; E140-Q144 PolarHBondContact OE1-NE2 2.95Å; K141-Q144 PolarHBondContact O-N 2.89Å; D142-Q144 PolarHBondContact O-N 3.31Å; Q144-R146 PolarHBondContact O-N 2.86Å; Q144-I147 PolarHBondContact O-N 3.23Å; Q144-A148 WeakPolarHBondContact O-CB 3.49Å; Q144-A148 PolarHBondContact O-N 2.83Å |
| 145 | N | 88.8 | Confident | 88.3 | Confident | 87 Ų | 87 | 117.3 Ų | 117.3 | 47% | 0.465 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.7 | -73.3 | -15.8 | 0 | 0 | 0 | 111.9 | K141 D142 I147 A148 E149 | K141-N145 WeakPolarHBondContact O-CB 3.36Å; K141-N145 PolarHBondContact O-N 3.42Å; K141-N145 PolarHBondContact O-ND2 2.96Å; D142-N145 PolarHBondContact O-N 3.42Å; N145-I147 PolarHBondContact O-N 3.5Å; N145-A148 PolarHBondContact O-N 2.88Å; N145-E149 VanDerWaalsContact O-CB 3.31Å; N145-E149 WeakPolarHBondContact O-CB 3.43Å; N145-E149 PolarHBondContact O-N 3.45Å |
| 146 | R | 90.4 | Very high | 87.3 | Confident | 176 Ų | 176 | 120.4 Ų | 120.4 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 176.9 | -179.9 | 178.4 | 148.7 | -173.8 | -6.9 | 112.1 | D142 R143 Q144 E149 E150 | D142-R146 WeakPolarHBondContact O-CB 3.47Å; D142-R146 PolarHBondContact O-N 3.47Å; R143-R146 PolarHBondContact O-N 2.97Å; Q144-R146 PolarHBondContact O-N 2.86Å; R146-E149 PolarHBondContact O-N 3.25Å; R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 PolarHBondContact O-N 3.36Å |
| 147 | I | 87.7 | Confident | 86.5 | Confident | 77 Ų | 77 | 117.5 Ų | 117.5 | 40% | 0.395 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.2 | -67.2 | 166.2 | 0 | 0 | 0 | 110.5 | R143 Q144 N145 E150 R151 | R143-I147 HydrophobicContact CG-CD1 4.2Å; R143-I147 VanDerWaalsContact O-CG1 3.3Å; R143-I147 WeakPolarHBondContact O-CG1 3.5Å; R143-I147 PolarHBondContact O-N 3.35Å; R143-I147 VanDerWaalsContact O-N 3.07Å; Q144-I147 PolarHBondContact O-N 3.23Å; N145-I147 PolarHBondContact O-N 3.5Å; I147-E150 PolarHBondContact O-N 2.94Å; I147-R151 WeakPolarHBondContact O-CB 3.34Å; I147-R151 PolarHBondContact O-N 3.28Å |
| 148 | A | 86.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 120 Ų | 120 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q144 N145 R151 H152 | Q144-A148 WeakPolarHBondContact O-CB 3.49Å; Q144-A148 PolarHBondContact O-N 2.83Å; N145-A148 PolarHBondContact O-N 2.88Å; A148-R151 PolarHBondContact O-N 2.87Å; A148-H152 VanDerWaalsContact O-CB 3.27Å; A148-H152 WeakPolarHBondContact O-CB 3.35Å; A148-H152 PolarHBondContact O-N 3.32Å |
| 149 | E | 84.8 | Confident | 84.8 | Confident | 143 Ų | 143 | 117.3 Ų | 117.3 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.5 | -39.7 | 177.7 | -170.5 | 177.1 | -173.6 | 0 | 0 | 111.8 | N145 R146 H152 R153 | N145-E149 VanDerWaalsContact O-CB 3.31Å; N145-E149 WeakPolarHBondContact O-CB 3.43Å; N145-E149 PolarHBondContact O-N 3.45Å; R146-E149 PolarHBondContact O-N 3.25Å; E149-H152 PolarHBondContact O-N 2.88Å; E149-R153 VanDerWaalsContact O-CB 3.31Å; E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 PolarHBondContact O-N 3.45Å |
| 150 | E | 82.2 | Confident | 84.1 | Confident | 129 Ų | 129 | 117.2 Ų | 117.2 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 174 | -171.1 | 178.4 | 171.5 | 0 | 0 | 111.5 | R146 I147 R153 K154 | R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 PolarHBondContact O-N 3.36Å; I147-E150 PolarHBondContact O-N 2.94Å; E150-R153 PolarHBondContact O-N 3.08Å; E150-K154 WeakPolarHBondContact O-CB 3.25Å; E150-K154 PolarHBondContact O-N 3.45Å |
| 151 | R | 81.6 | Confident | 83.6 | Confident | 173 Ų | 173 | 120 Ų | 120 | 65% | 0.653 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.8 | -45.8 | 171.5 | 177.7 | -177.1 | -93.4 | 171.5 | -6.4 | 110.6 | I147 A148 K154 E155 | I147-R151 WeakPolarHBondContact O-CB 3.34Å; I147-R151 PolarHBondContact O-N 3.28Å; A148-R151 PolarHBondContact O-N 2.87Å; R151-K154 PolarHBondContact O-N 3.28Å; R151-E155 WeakPolarHBondContact CD-OE1 3.14Å; R151-E155 HydrophobicContact CG-CG 4.4Å; R151-E155 VanDerWaalsContact CG-OE1 3.22Å; R151-E155 WeakPolarHBondContact CG-OE1 3.49Å; R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 VanDerWaalsContact O-CG 3.27Å; R151-E155 WeakPolarHBondContact O-CG 3.29Å; R151-E155 PolarHBondContact O-N 3.45Å |
| 152 | H | 77.6 | Confident | 83 | Confident | 99 Ų | 99 | 119 Ų | 119 | 46% | 0.458 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 179.6 | -169.6 | -96 | 0 | 0 | 0 | 111.7 | A148 E149 K154 E155 E156 | A148-H152 VanDerWaalsContact O-CB 3.27Å; A148-H152 WeakPolarHBondContact O-CB 3.35Å; A148-H152 PolarHBondContact O-N 3.32Å; E149-H152 PolarHBondContact O-N 2.88Å; H152-K154 PolarHBondContact O-N 2.67Å; H152-E155 PolarHBondContact O-N 2.88Å; H152-E156 IonicContact CE1-OE1 3.87Å; H152-E156 PolarHBondContact CE1-OE1 3.37Å; H152-E156 IonicContact ND1-OE1 3.09Å; H152-E156 PolarHBondContact ND1-OE1 2.94Å; H152-E156 WeakPolarHBondContact O-CB 3.43Å; H152-E156 WeakPolarHBondContact O-CG 3.26Å; H152-E156 PolarHBondContact O-N 3.46Å |
| 153 | R | 81.4 | Confident | 82.4 | Confident | 163 Ų | 163 | 116.1 Ų | 116.1 | 62% | 0.615 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 176.3 | -174.8 | 178 | 172.3 | 172.3 | 1.3 | 111.9 | E149 E150 E156 E157 | E149-R153 VanDerWaalsContact O-CB 3.31Å; E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 PolarHBondContact O-N 3.45Å; E150-R153 PolarHBondContact O-N 3.08Å; R153-E156 PolarHBondContact O-N 3.28Å; R153-E157 IonicContact NE-OE1 2.71Å; R153-E157 PolarHBondContact NE-OE1 3.01Å; R153-E157 IonicContact NH2-OE1 3.99Å; R153-E157 WeakPolarHBondContact O-CB 3.29Å; R153-E157 WeakPolarHBondContact O-CG 3.39Å; R153-E157 PolarHBondContact O-N 3.07Å |
| 154 | K | 81.4 | Confident | 81.8 | Confident | 130 Ų | 130 | 112.7 Ų | 112.7 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 173.9 | -173.7 | 175.6 | 179.4 | -178.6 | 0 | 111.7 | E150 R151 H152 E157 E158 | E150-K154 WeakPolarHBondContact O-CB 3.25Å; E150-K154 PolarHBondContact O-N 3.45Å; R151-K154 PolarHBondContact O-N 3.28Å; H152-K154 PolarHBondContact O-N 2.67Å; K154-E157 PolarHBondContact O-N 3.33Å; K154-E158 VanDerWaalsContact CE-OE1 3.31Å; K154-E158 WeakPolarHBondContact CE-OE1 3.44Å; K154-E158 WeakPolarHBondContact O-CB 3.08Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 3.44Å |
| 155 | E | 75.4 | Confident | 81.4 | Confident | 109 Ų | 109 | 110.9 Ų | 110.9 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 174.6 | -75.3 | 175.5 | -165.3 | 0 | 0 | 112.1 | R151 H152 A159 | R151-E155 WeakPolarHBondContact CD-OE1 3.14Å; R151-E155 HydrophobicContact CG-CG 4.4Å; R151-E155 VanDerWaalsContact CG-OE1 3.22Å; R151-E155 WeakPolarHBondContact CG-OE1 3.49Å; R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 VanDerWaalsContact O-CG 3.27Å; R151-E155 WeakPolarHBondContact O-CG 3.29Å; R151-E155 PolarHBondContact O-N 3.45Å; H152-E155 PolarHBondContact O-N 2.88Å; E155-A159 WeakPolarHBondContact O-CB 3.5Å; E155-A159 PolarHBondContact O-N 3.12Å |
| 156 | E | 73.7 | Confident | 80.7 | Confident | 114 Ų | 114 | 109.1 Ų | 109.1 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 174.7 | -75.7 | -174.5 | 158 | 0 | 0 | 112.5 | H152 R153 A159 K160 | H152-E156 IonicContact CE1-OE1 3.87Å; H152-E156 PolarHBondContact CE1-OE1 3.37Å; H152-E156 IonicContact ND1-OE1 3.09Å; H152-E156 PolarHBondContact ND1-OE1 2.94Å; H152-E156 WeakPolarHBondContact O-CB 3.43Å; H152-E156 WeakPolarHBondContact O-CG 3.26Å; H152-E156 PolarHBondContact O-N 3.46Å; R153-E156 PolarHBondContact O-N 3.28Å; E156-A159 PolarHBondContact O-N 2.96Å; E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.43Å; E156-K160 PolarHBondContact O-N 2.94Å |
| 157 | E | 78.9 | Confident | 80.1 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 175.8 | -73.4 | 179.4 | -168.6 | 0 | 0 | 111.7 | R153 K154 K160 K161 | R153-E157 IonicContact NE-OE1 2.71Å; R153-E157 PolarHBondContact NE-OE1 3.01Å; R153-E157 IonicContact NH2-OE1 3.99Å; R153-E157 WeakPolarHBondContact O-CB 3.29Å; R153-E157 WeakPolarHBondContact O-CG 3.39Å; R153-E157 PolarHBondContact O-N 3.07Å; K154-E157 PolarHBondContact O-N 3.33Å; E157-K160 PolarHBondContact O-N 3.39Å; E157-K161 WeakPolarHBondContact O-CB 3.23Å; E157-K161 PolarHBondContact O-N 3.39Å |
| 158 | E | 76.6 | Confident | 79.6 | Confident | 116 Ų | 116 | 108.4 Ų | 108.4 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 173.1 | -75.5 | -177 | -169.2 | 0 | 0 | 112.1 | K154 K162 | K154-E158 VanDerWaalsContact CE-OE1 3.31Å; K154-E158 WeakPolarHBondContact CE-OE1 3.44Å; K154-E158 WeakPolarHBondContact O-CB 3.08Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 3.44Å; E158-K162 WeakPolarHBondContact O-CB 3.33Å; E158-K162 PolarHBondContact O-N 2.97Å |
| 159 | A | 76.8 | Confident | 79 | Confident | 53 Ų | 53 | 111.3 Ų | 111.3 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E155 E156 A163 | E155-A159 WeakPolarHBondContact O-CB 3.5Å; E155-A159 PolarHBondContact O-N 3.12Å; E156-A159 PolarHBondContact O-N 2.96Å; A159-A163 WeakPolarHBondContact O-CB 3.28Å; A159-A163 PolarHBondContact O-N 2.98Å |
| 160 | K | 80.2 | Confident | 78.4 | Confident | 147 Ų | 147 | 107.8 Ų | 107.8 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -45.7 | 175.9 | -171.6 | 178.5 | 179.4 | -177.4 | 0 | 111.5 | E156 E157 K162 A163 D164 | E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.43Å; E156-K160 PolarHBondContact O-N 2.94Å; E157-K160 PolarHBondContact O-N 3.39Å; K160-K162 VanDerWaalsContact C-N 3.33Å; K160-K162 PolarHBondContact O-N 2.96Å; K160-A163 PolarHBondContact O-N 3.04Å; K160-D164 PolarHBondContact O-N 3.46Å |
| 161 | K | 81.4 | Confident | 78 | Confident | 141 Ų | 141 | 110.1 Ų | 110.1 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 175.1 | -173.5 | 179.3 | 177.1 | -176.6 | 0 | 111.6 | E157 D164 D165 | E157-K161 WeakPolarHBondContact O-CB 3.23Å; E157-K161 PolarHBondContact O-N 3.39Å; K161-D164 PolarHBondContact O-N 3.43Å; K161-D165 WeakPolarHBondContact O-CB 3.42Å; K161-D165 PolarHBondContact O-N 3.31Å |
| 162 | K | 81.6 | Confident | 77.4 | Confident | 120 Ų | 120 | 106.9 Ų | 106.9 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 174.6 | -174.9 | 169.8 | -176.3 | 169.1 | 0 | 111.9 | E158 K160 D166 | E158-K162 WeakPolarHBondContact O-CB 3.33Å; E158-K162 PolarHBondContact O-N 2.97Å; K160-K162 VanDerWaalsContact C-N 3.33Å; K160-K162 PolarHBondContact O-N 2.96Å; K162-D166 WeakPolarHBondContact O-CB 3.4Å; K162-D166 PolarHBondContact O-N 3.02Å |
| 163 | A | 80.8 | Confident | 76.7 | Confident | 46 Ų | 46 | 104.5 Ų | 104.5 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A159 K160 D166 L167 | A159-A163 WeakPolarHBondContact O-CB 3.28Å; A159-A163 PolarHBondContact O-N 2.98Å; K160-A163 PolarHBondContact O-N 3.04Å; A163-D166 PolarHBondContact O-N 2.9Å; A163-L167 WeakPolarHBondContact O-CB 3.48Å; A163-L167 WeakPolarHBondContact O-CD1 3.41Å; A163-L167 VanDerWaalsContact O-CG 3.3Å; A163-L167 WeakPolarHBondContact O-CG 3.49Å; A163-L167 PolarHBondContact O-N 3.43Å |
| 164 | D | 80.3 | Confident | 75.9 | Confident | 73 Ų | 73 | 101.9 Ų | 101.9 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.8 | -76.7 | -14.6 | 0 | 0 | 0 | 112.1 | K160 K161 L167 K168 | K160-D164 PolarHBondContact O-N 3.46Å; K161-D164 PolarHBondContact O-N 3.43Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-K168 WeakPolarHBondContact O-CB 3.39Å; D164-K168 VanDerWaalsContact O-CG 3.24Å; D164-K168 WeakPolarHBondContact O-CG 3.48Å; D164-K168 PolarHBondContact O-N 3.26Å |
| 165 | D | 80.1 | Confident | 75 | Confident | 59 Ų | 59 | 98.9 Ų | 98.9 | 32% | 0.316 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 174.6 | -74.7 | -14.9 | 0 | 0 | 0 | 111.4 | K161 K168 K169 | K161-D165 WeakPolarHBondContact O-CB 3.42Å; K161-D165 PolarHBondContact O-N 3.31Å; D165-K168 PolarHBondContact O-N 2.92Å; D165-K169 VanDerWaalsContact O-CB 3.23Å; D165-K169 WeakPolarHBondContact O-CB 3.4Å; D165-K169 WeakPolarHBondContact O-CG 3.38Å; D165-K169 PolarHBondContact O-N 3.42Å |
| 166 | D | 75 | Confident | 74.1 | Confident | 51 Ų | 51 | 101.6 Ų | 101.6 | 27% | 0.273 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 174 | -77 | -12.8 | 0 | 0 | 0 | 111.6 | K162 A163 K170 | K162-D166 WeakPolarHBondContact O-CB 3.4Å; K162-D166 PolarHBondContact O-N 3.02Å; A163-D166 PolarHBondContact O-N 2.9Å; D166-K170 VanDerWaalsContact O-CB 3.23Å; D166-K170 WeakPolarHBondContact O-CB 3.28Å; D166-K170 VanDerWaalsContact O-CG 3.24Å; D166-K170 WeakPolarHBondContact O-CG 3.26Å; D166-K170 PolarHBondContact O-N 3.5Å |
| 167 | L | 77.5 | Confident | 73.3 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 172 | -81.8 | 161.5 | 0 | 0 | 0 | 111.5 | A163 D164 K170 K171 | A163-L167 WeakPolarHBondContact O-CB 3.48Å; A163-L167 WeakPolarHBondContact O-CD1 3.41Å; A163-L167 VanDerWaalsContact O-CG 3.3Å; A163-L167 WeakPolarHBondContact O-CG 3.49Å; A163-L167 PolarHBondContact O-N 3.43Å; D164-L167 PolarHBondContact O-N 2.88Å; L167-K170 PolarHBondContact O-N 3.36Å; L167-K171 WeakPolarHBondContact O-CB 3.42Å; L167-K171 PolarHBondContact O-N 2.84Å |
| 168 | K | 77.2 | Confident | 72.4 | Confident | 130 Ų | 130 | 97.7 Ų | 97.7 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 174.1 | -73.2 | 168.1 | -171.7 | 167.1 | 0 | 111 | D164 D165 K171 V172 | D164-K168 WeakPolarHBondContact O-CB 3.39Å; D164-K168 VanDerWaalsContact O-CG 3.24Å; D164-K168 WeakPolarHBondContact O-CG 3.48Å; D164-K168 PolarHBondContact O-N 3.26Å; D165-K168 PolarHBondContact O-N 2.92Å; K168-K171 WeakPolarHBondContact O-CB 3.45Å; K168-K171 PolarHBondContact O-N 3.39Å; K168-V172 VanDerWaalsContact O-CG2 3.27Å; K168-V172 WeakPolarHBondContact O-CG2 3.41Å; K168-V172 PolarHBondContact O-N 3.05Å |
| 169 | K | 74.8 | Confident | 71.6 | Confident | 117 Ų | 117 | 100 Ų | 100 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.2 | -45.6 | 174.9 | -76.3 | 169.7 | -171.3 | 170.4 | 0 | 111.5 | D165 K171 V172 L173 | D165-K169 VanDerWaalsContact O-CB 3.23Å; D165-K169 WeakPolarHBondContact O-CB 3.4Å; D165-K169 WeakPolarHBondContact O-CG 3.38Å; D165-K169 PolarHBondContact O-N 3.42Å; K169-K171 VanDerWaalsContact C-N 3.32Å; K169-K171 PolarHBondContact O-N 3.27Å; K169-V172 PolarHBondContact O-N 2.95Å; K169-L173 HydrophobicContact CB-CD1 4.32Å; K169-L173 VanDerWaalsContact O-CB 3.23Å; K169-L173 WeakPolarHBondContact O-CB 3.43Å; K169-L173 WeakPolarHBondContact O-CD1 3.4Å; K169-L173 VanDerWaalsContact O-CG 3.3Å; K169-L173 WeakPolarHBondContact O-CG 3.48Å; K169-L173 PolarHBondContact O-N 2.95Å |
| 170 | K | 72.1 | Confident | 70.6 | Confident | 70 Ų | 70 | 102 Ų | 102 | 30% | 0.304 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.1 | -42.6 | 173.6 | -83 | 176.2 | 168.1 | -171.4 | 0 | 111.8 | D166 L167 V172 L173 S174 L184 E188 | D166-K170 VanDerWaalsContact O-CB 3.23Å; D166-K170 WeakPolarHBondContact O-CB 3.28Å; D166-K170 VanDerWaalsContact O-CG 3.24Å; D166-K170 WeakPolarHBondContact O-CG 3.26Å; D166-K170 PolarHBondContact O-N 3.5Å; L167-K170 PolarHBondContact O-N 3.36Å; K170-V172 VanDerWaalsContact C-N 3.35Å; K170-V172 PolarHBondContact O-N 3.35Å; K170-L173 PolarHBondContact O-N 2.98Å; K170-S174 WeakPolarHBondContact O-CB 3.27Å; K170-S174 PolarHBondContact O-N 3.34Å; K170-L184 HydrophobicContact CG-CD1 4.11Å; K170-E188 IonicContact NZ-OE1 2.59Å; K170-E188 PolarHBondContact NZ-OE1 2.91Å; K170-E188 IonicContact NZ-OE2 2.69Å; K170-E188 PolarHBondContact NZ-OE2 3.14Å |
| 171 | K | 72.7 | Confident | 69.6 | Low | 177 Ų | 177 | 97.3 Ų | 97.3 | 77% | 0.77 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -39.8 | 176.7 | -169.5 | 175.3 | -179 | 179.1 | 0 | 111.9 | L167 K168 K169 | L167-K171 WeakPolarHBondContact O-CB 3.42Å; L167-K171 PolarHBondContact O-N 2.84Å; K168-K171 WeakPolarHBondContact O-CB 3.45Å; K168-K171 PolarHBondContact O-N 3.39Å; K169-K171 VanDerWaalsContact C-N 3.32Å; K169-K171 PolarHBondContact O-N 3.27Å |
| 172 | V | 70.9 | Confident | 68.8 | Low | 106 Ų | 106 | 93.2 Ų | 93.2 | 64% | 0.642 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72 | -44 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | K168 K169 K170 G175 M176 | K168-V172 VanDerWaalsContact O-CG2 3.27Å; K168-V172 WeakPolarHBondContact O-CG2 3.41Å; K168-V172 PolarHBondContact O-N 3.05Å; K169-V172 PolarHBondContact O-N 2.95Å; K170-V172 VanDerWaalsContact C-N 3.35Å; K170-V172 PolarHBondContact O-N 3.35Å; V172-G175 WeakPolarHBondContact O-CA 3.37Å; V172-G175 PolarHBondContact O-N 2.91Å; V172-M176 PolarHBondContact O-N 2.96Å |
| 173 | L | 61.6 | Low | 67.9 | Low | 49 Ų | 49 | 95 Ų | 95 | 26% | 0.257 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.1 | -27.6 | -178.8 | -73.2 | 159.6 | 0 | 0 | 0 | 113.2 | K169 K170 G175 M176 F180 L184 | K169-L173 HydrophobicContact CB-CD1 4.32Å; K169-L173 VanDerWaalsContact O-CB 3.23Å; K169-L173 WeakPolarHBondContact O-CB 3.43Å; K169-L173 WeakPolarHBondContact O-CD1 3.4Å; K169-L173 VanDerWaalsContact O-CG 3.3Å; K169-L173 WeakPolarHBondContact O-CG 3.48Å; K169-L173 PolarHBondContact O-N 2.95Å; K170-L173 PolarHBondContact O-N 2.98Å; L173-G175 PolarHBondContact O-N 3.33Å; L173-M176 PolarHBondContact O-N 3.39Å; L173-M176 VanDerWaalsContact O-N 3.1Å; L173-F180 HydrophobicContact CB-CD1 4.19Å; L173-F180 HydrophobicContact CD1-CD1 3.39Å; L173-F180 HydrophobicContact CD1-CE1 3.2Å; L173-F180 HydrophobicContact CD1-CG 4.38Å; L173-F180 HydrophobicContact CD1-CZ 4.07Å; L173-F180 HydrophobicContact CD2-CB 4.2Å; L173-F180 HydrophobicContact CD2-CD1 3.58Å; L173-F180 HydrophobicContact CD2-CD2 4.22Å; L173-F180 HydrophobicContact CD2-CE1 3.94Å; L173-F180 HydrophobicContact CD2-CG 3.73Å; L173-F180 HydrophobicContact CD2-CZ 4.38Å; L173-F180 HydrophobicContact CG-CD1 3.9Å; L173-F180 HydrophobicContact CG-CE1 4.13Å; L173-L184 HydrophobicContact CD1-CD1 3.91Å |
| 174 | S | 63.9 | Low | 66.9 | Low | 107 Ų | 107 | 94.8 Ų | 94.8 | 75% | 0.748 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.7 | 166.6 | -173.2 | 0 | 0 | 0 | 0 | 112 | K170 | K170-S174 WeakPolarHBondContact O-CB 3.27Å; K170-S174 PolarHBondContact O-N 3.34Å |
| 175 | G | 62.5 | Low | 66.1 | Low | 68 Ų | 68 | 94.2 Ų | 94.2 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -16.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V172 L173 | V172-G175 WeakPolarHBondContact O-CA 3.37Å; V172-G175 PolarHBondContact O-N 2.91Å; L173-G175 PolarHBondContact O-N 3.33Å |
| 176 | M | 58.5 | Low | 65.2 | Low | 165 Ų | 165 | 98 Ų | 98 | 81% | 0.813 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -103.5 | 13 | -169.8 | -155.4 | 74.9 | 144.8 | 0 | 0 | 114.4 | V172 L173 | V172-M176 PolarHBondContact O-N 2.96Å; L173-M176 PolarHBondContact O-N 3.39Å; L173-M176 VanDerWaalsContact O-N 3.1Å |
| 177 | G | 55.9 | Low | 64.4 | Low | 47 Ų | 47 | 98.2 Ų | 98.2 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | trans | 101.2 | 147.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N179 | G177-N179 PolarHBondContact O-N 3.26Š| ||
| 178 | A | 60.3 | Low | 63.4 | Low | 101 Ų | 101 | 98.2 Ų | 98.2 | 84% | 0.835 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 9.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 179 | N | 59.6 | Low | 62.6 | Low | 164 Ų | 164 | 95.9 Ų | 95.9 | 88% | 0.877 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -9.3 | -174.2 | -70.6 | -15.4 | 0 | 0 | 0 | 114.8 | G177 | G177-N179 PolarHBondContact O-N 3.26Š|
| 180 | F | 56 | Low | 61.7 | Low | 96 Ų | 96 | 99.9 Ų | 99.9 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -89.3 | -15.3 | 176.5 | -163.5 | -92 | 0 | 0 | 0 | 113.6 | L173 G182 F183 L184 | L173-F180 HydrophobicContact CB-CD1 4.19Å; L173-F180 HydrophobicContact CD1-CD1 3.39Å; L173-F180 HydrophobicContact CD1-CE1 3.2Å; L173-F180 HydrophobicContact CD1-CG 4.38Å; L173-F180 HydrophobicContact CD1-CZ 4.07Å; L173-F180 HydrophobicContact CD2-CB 4.2Å; L173-F180 HydrophobicContact CD2-CD1 3.58Å; L173-F180 HydrophobicContact CD2-CD2 4.22Å; L173-F180 HydrophobicContact CD2-CE1 3.94Å; L173-F180 HydrophobicContact CD2-CG 3.73Å; L173-F180 HydrophobicContact CD2-CZ 4.38Å; L173-F180 HydrophobicContact CG-CD1 3.9Å; L173-F180 HydrophobicContact CG-CE1 4.13Å; F180-G182 VanDerWaalsContact C-N 3.27Å; F180-G182 PolarHBondContact O-N 3.3Å; F180-F183 PolarHBondContact O-N 3.34Å; F180-L184 HydrophobicContact CD1-CD1 3.96Å; F180-L184 HydrophobicContact CD1-CG 4.34Å; F180-L184 HydrophobicContact CE1-CD1 3.8Å; F180-L184 HydrophobicContact CE1-CG 3.95Å |
| 181 | G | 59.6 | Low | 60.8 | Low | 48 Ų | 48 | 104.3 Ų | 104.3 | 50% | 0.495 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.5 | -24.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F183 A185 | G181-F183 PolarHBondContact O-N 3.26Å; G181-A185 WeakPolarHBondContact O-CB 3.45Å; G181-A185 PolarHBondContact O-N 3.19Å |
| 182 | G | 65.1 | Low | 59.9 | Low | 55 Ų | 55 | 99.2 Ų | 99.2 | 57% | 0.567 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70 | -28.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | F180 | F180-G182 VanDerWaalsContact C-N 3.27Å; F180-G182 PolarHBondContact O-N 3.3Å |
| 183 | F | 62.6 | Low | 59.7 | Low | 159 Ų | 159 | 104.4 Ų | 104.4 | 70% | 0.697 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -80 | -41 | -179 | -173.2 | -102.8 | 0 | 0 | 0 | 111.9 | F180 G181 K186 A187 | F180-F183 PolarHBondContact O-N 3.34Å; G181-F183 PolarHBondContact O-N 3.26Å; F183-K186 PolarHBondContact O-N 3.43Å; F183-A187 PolarHBondContact O-N 3.48Å |
| 184 | L | 59.6 | Low | 60.4 | Low | 40 Ų | 40 | 112.4 Ų | 112.4 | 21% | 0.209 | 63% | 0.628 | C | S | . | * | H | α-helix | trans | -69.9 | -39.9 | 178.3 | -74.4 | 172 | 0 | 0 | 0 | 112.8 | K170 L173 F180 K186 A187 E188 | K170-L184 HydrophobicContact CG-CD1 4.11Å; L173-L184 HydrophobicContact CD1-CD1 3.91Å; F180-L184 HydrophobicContact CD1-CD1 3.96Å; F180-L184 HydrophobicContact CD1-CG 4.34Å; F180-L184 HydrophobicContact CE1-CD1 3.8Å; F180-L184 HydrophobicContact CE1-CG 3.95Å; L184-K186 PolarHBondContact O-N 2.9Å; L184-A187 PolarHBondContact O-N 3.07Å; L184-E188 PolarHBondContact O-N 3.01Å; L184-E188 VanDerWaalsContact O-N 3.09Å |
| 185 | A | 62.7 | Low | 61.3 | Low | 62 Ų | 62 | 111.3 Ų | 111.3 | 51% | 0.512 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.3 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G181 S189 | G181-A185 WeakPolarHBondContact O-CB 3.45Å; G181-A185 PolarHBondContact O-N 3.19Å; A185-S189 PolarHBondContact O-N 3.2Å |
| 186 | K | 60.5 | Low | 62.5 | Low | 139 Ų | 139 | 111.4 Ų | 111.4 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.8 | -26.6 | 178.4 | -153.1 | 165.2 | -173.4 | 164.6 | 0 | 112.6 | F183 L184 R190 | F183-K186 PolarHBondContact O-N 3.43Å; L184-K186 PolarHBondContact O-N 2.9Å; K186-R190 WeakPolarHBondContact O-CG 3.44Å |
| 187 | A | 59.3 | Low | 64.1 | Low | 54 Ų | 54 | 106.5 Ų | 106.5 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.1 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F183 L184 R190 | F183-A187 PolarHBondContact O-N 3.48Å; L184-A187 PolarHBondContact O-N 3.07Å; A187-R190 PolarHBondContact O-N 2.86Å |
| 188 | E | 57 | Low | 65.8 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.7 | -35.6 | 176 | -83.5 | -179 | 153 | 0 | 0 | 113 | K170 L184 R190 K191 | K170-E188 IonicContact NZ-OE1 2.59Å; K170-E188 PolarHBondContact NZ-OE1 2.91Å; K170-E188 IonicContact NZ-OE2 2.69Å; K170-E188 PolarHBondContact NZ-OE2 3.14Å; L184-E188 PolarHBondContact O-N 3.01Å; L184-E188 VanDerWaalsContact O-N 3.09Å; E188-R190 PolarHBondContact O-N 3.48Å; E188-K191 PolarHBondContact O-N 2.87Å |
| 189 | S | 60.2 | Low | 67.3 | Low | 80 Ų | 80 | 112.2 Ų | 112.2 | 56% | 0.559 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -21.8 | 175.8 | 126.4 | 0 | 0 | 0 | 0 | 113.5 | A185 | A185-S189 PolarHBondContact O-N 3.2Š|
| 190 | R | 55.9 | Low | 69 | Low | 202 Ų | 202 | 108.5 Ų | 108.5 | 76% | 0.762 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -12.4 | 178 | -75.2 | -178 | 178.3 | -171.3 | -0.7 | 113.5 | K186 A187 E188 | K186-R190 WeakPolarHBondContact O-CG 3.44Å; A187-R190 PolarHBondContact O-N 2.86Å; E188-R190 PolarHBondContact O-N 3.48Å |
| 191 | K | 52.1 | Low | 70.9 | Confident | 162 Ų | 162 | 110.8 Ų | 110.8 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -95.1 | 2.2 | -178.5 | -143.4 | 174.7 | -177.9 | -173.9 | 0 | 113.4 | E188 | E188-K191 PolarHBondContact O-N 2.87Š|
| 192 | S | 54.8 | Low | 72.6 | Confident | 71 Ų | 71 | 115.9 Ų | 115.9 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -80 | 148.5 | 171.9 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | R194 | S192-R194 PolarHBondContact O-N 2.91Š|
| 193 | K | 65.9 | Low | 74 | Confident | 215 Ų | 215 | 119.1 Ų | 119.1 | 94% | 0.935 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -45.5 | 8.8 | 176.9 | -82.7 | 173.9 | 172.1 | 174.5 | 0 | 117.7 | L195 | K193-L195 PolarHBondContact O-N 2.8Š|
| 194 | R | 77.1 | Confident | 75.6 | Confident | 216 Ų | 216 | 114.1 Ų | 114.1 | 82% | 0.815 | 56% | 0.556 | S | S | * | * | trans | -73.1 | 107.2 | 174.3 | -75.8 | -177.8 | 166.2 | 166.3 | -3.2 | 109 | S192 T196 | S192-R194 PolarHBondContact O-N 2.91Å; R194-T196 PolarHBondContact O-N 3.31Å | ||
| 195 | L | 82.1 | Confident | 77.4 | Confident | 85 Ų | 85 | 116.9 Ų | 116.9 | 45% | 0.445 | 57% | 0.57 | S | S | . | * | trans | -50.6 | 139.7 | 169.4 | -66.6 | 175.2 | 0 | 0 | 0 | 109.9 | K193 E199 I200 | K193-L195 PolarHBondContact O-N 2.8Å; L195-E199 VanDerWaalsContact CA-OE2 3.25Å; L195-E199 WeakPolarHBondContact CA-OE2 3.43Å; L195-E199 HydrophobicContact CB-CB 4.02Å; L195-E199 HydrophobicContact CD2-CB 4.14Å; L195-E199 WeakPolarHBondContact CD2-OE2 3.43Å; L195-I200 HydrophobicContact CB-CD1 4.16Å; L195-I200 HydrophobicContact CB-CG1 3.52Å; L195-I200 HydrophobicContact CD1-CG1 4.26Å | ||
| 196 | T | 88 | Confident | 78.9 | Confident | 70 Ų | 70 | 116.8 Ų | 116.8 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | trans | -64.4 | 156.2 | 173.8 | 66.9 | 0 | 0 | 0 | 0 | 110 | R194 R198 E199 I200 | R194-T196 PolarHBondContact O-N 3.31Å; T196-R198 PolarHBondContact O-N 2.9Å; T196-R198 VanDerWaalsContact O-N 3.08Å; T196-E199 WeakPolarHBondContact CG2-OE1 3.38Å; T196-E199 PolarHBondContact N-OE2 3.44Å; T196-E199 PolarHBondContact O-N 3.24Å; T196-E199 WeakPolarHBondContact OG1-CG 3.29Å; T196-E199 PolarHBondContact OG1-N 2.92Å; T196-E199 PolarHBondContact OG1-OE1 3.49Å; T196-I200 WeakPolarHBondContact O-CG1 3.47Å; T196-I200 PolarHBondContact O-N 3.02Å | ||
| 197 | G | 92.3 | Very high | 80.6 | Confident | 62 Ų | 62 | 115.1 Ų | 115.1 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.5 | -29.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K201 | G197-K201 VanDerWaalsContact O-CB 3.28Å; G197-K201 WeakPolarHBondContact O-CB 3.48Å; G197-K201 PolarHBondContact O-N 3.29Å |
| 198 | R | 91.7 | Very high | 82.3 | Confident | 188 Ų | 188 | 120.3 Ų | 120.3 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.5 | -44.6 | 174.2 | -172.6 | 179.6 | -175.9 | -171.8 | 1.4 | 112 | T196 R202 | T196-R198 PolarHBondContact O-N 2.9Å; T196-R198 VanDerWaalsContact O-N 3.08Å; R198-R202 WeakPolarHBondContact O-CB 3.45Å; R198-R202 PolarHBondContact O-N 3.36Å |
| 199 | E | 92.3 | Very high | 84.1 | Confident | 80 Ų | 80 | 124.7 Ų | 124.7 | 37% | 0.374 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.4 | -44.7 | 177.2 | -75.2 | 147.2 | -140.2 | 0 | 0 | 112 | L195 T196 K201 R202 K203 | L195-E199 VanDerWaalsContact CA-OE2 3.25Å; L195-E199 WeakPolarHBondContact CA-OE2 3.43Å; L195-E199 HydrophobicContact CB-CB 4.02Å; L195-E199 HydrophobicContact CD2-CB 4.14Å; L195-E199 WeakPolarHBondContact CD2-OE2 3.43Å; T196-E199 WeakPolarHBondContact CG2-OE1 3.38Å; T196-E199 PolarHBondContact N-OE2 3.44Å; T196-E199 PolarHBondContact O-N 3.24Å; T196-E199 WeakPolarHBondContact OG1-CG 3.29Å; T196-E199 PolarHBondContact OG1-N 2.92Å; T196-E199 PolarHBondContact OG1-OE1 3.49Å; E199-K201 VanDerWaalsContact C-N 3.33Å; E199-K201 PolarHBondContact O-N 2.93Å; E199-R202 PolarHBondContact O-N 3.37Å; E199-K203 WeakPolarHBondContact O-CB 3.4Å; E199-K203 PolarHBondContact O-N 2.88Å |
| 200 | I | 94.7 | Very high | 85.5 | Confident | 86 Ų | 86 | 127.1 Ų | 127.1 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.9 | -48.9 | 176.1 | -62.5 | 172.7 | 0 | 0 | 0 | 109.3 | L195 T196 R202 K203 T204 | L195-I200 HydrophobicContact CB-CD1 4.16Å; L195-I200 HydrophobicContact CB-CG1 3.52Å; L195-I200 HydrophobicContact CD1-CG1 4.26Å; T196-I200 WeakPolarHBondContact O-CG1 3.47Å; T196-I200 PolarHBondContact O-N 3.02Å; I200-R202 PolarHBondContact O-N 3.35Å; I200-K203 PolarHBondContact O-N 3.37Å; I200-T204 WeakPolarHBondContact O-CB 3.36Å; I200-T204 PolarHBondContact O-N 3.27Å; I200-T204 PolarHBondContact O-OG1 2.95Å |
| 201 | K | 96 | Very high | 87.2 | Confident | 143 Ų | 143 | 122.6 Ų | 122.6 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.4 | -48.4 | 177.1 | -178.8 | 178.8 | 177.9 | -178.6 | 0 | 111.7 | G197 E199 T204 L205 | G197-K201 VanDerWaalsContact O-CB 3.28Å; G197-K201 WeakPolarHBondContact O-CB 3.48Å; G197-K201 PolarHBondContact O-N 3.29Å; E199-K201 VanDerWaalsContact C-N 3.33Å; E199-K201 PolarHBondContact O-N 2.93Å; K201-T204 PolarHBondContact O-N 2.98Å; K201-L205 HydrophobicContact CG-CD1 3.88Å; K201-L205 HydrophobicContact CG-CG 4.38Å; K201-L205 WeakPolarHBondContact O-CB 3.39Å; K201-L205 VanDerWaalsContact O-CG 3.26Å; K201-L205 WeakPolarHBondContact O-CG 3.43Å; K201-L205 PolarHBondContact O-N 3.24Å |
| 202 | R | 95.3 | Very high | 89 | Confident | 156 Ų | 156 | 119 Ų | 119 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.5 | -47.9 | -180 | -174.9 | -173.8 | -69 | 159.9 | -6.7 | 111.1 | R198 E199 I200 L205 A206 | R198-R202 WeakPolarHBondContact O-CB 3.45Å; R198-R202 PolarHBondContact O-N 3.36Å; E199-R202 PolarHBondContact O-N 3.37Å; I200-R202 PolarHBondContact O-N 3.35Å; R202-L205 PolarHBondContact O-N 3.24Å; R202-A206 WeakPolarHBondContact O-CB 3.39Å; R202-A206 PolarHBondContact O-N 3.27Å |
| 203 | K | 94.9 | Very high | 90.7 | Very high | 122 Ų | 122 | 118.6 Ų | 118.6 | 53% | 0.53 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.1 | -51.7 | 178.7 | -173.7 | -177.3 | 176.4 | -177 | 0 | 111 | E199 I200 L205 A206 D207 | E199-K203 WeakPolarHBondContact O-CB 3.4Å; E199-K203 PolarHBondContact O-N 2.88Å; I200-K203 PolarHBondContact O-N 3.37Å; K203-L205 VanDerWaalsContact C-N 3.31Å; K203-L205 PolarHBondContact O-N 3.13Å; K203-A206 WeakPolarHBondContact O-CB 3.42Å; K203-A206 PolarHBondContact O-N 3.02Å; K203-A206 VanDerWaalsContact O-N 3.14Å; K203-D207 VanDerWaalsContact O-CG 3.23Å; K203-D207 PolarHBondContact O-N 3.23Å |
| 204 | T | 95.8 | Very high | 92 | Very high | 55 Ų | 55 | 111.4 Ų | 111.4 | 34% | 0.337 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -36.5 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | I200 K201 R208 | I200-T204 WeakPolarHBondContact O-CB 3.36Å; I200-T204 PolarHBondContact O-N 3.27Å; I200-T204 PolarHBondContact O-OG1 2.95Å; K201-T204 PolarHBondContact O-N 2.98Å; T204-R208 WeakPolarHBondContact O-CB 3.46Å; T204-R208 VanDerWaalsContact O-CG 3.25Å; T204-R208 WeakPolarHBondContact O-CG 3.49Å; T204-R208 PolarHBondContact O-N 3.13Å; T204-R208 VanDerWaalsContact O-N 3.16Å |
| 205 | L | 96.2 | Very high | 92.7 | Very high | 97 Ų | 97 | 107.8 Ų | 107.8 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 175.4 | -71.3 | 175.3 | 0 | 0 | 0 | 112.2 | K201 R202 K203 R208 R209 | K201-L205 HydrophobicContact CG-CD1 3.88Å; K201-L205 HydrophobicContact CG-CG 4.38Å; K201-L205 WeakPolarHBondContact O-CB 3.39Å; K201-L205 VanDerWaalsContact O-CG 3.26Å; K201-L205 WeakPolarHBondContact O-CG 3.43Å; K201-L205 PolarHBondContact O-N 3.24Å; R202-L205 PolarHBondContact O-N 3.24Å; K203-L205 VanDerWaalsContact C-N 3.31Å; K203-L205 PolarHBondContact O-N 3.13Å; L205-R208 PolarHBondContact O-N 3.07Å; L205-R209 WeakPolarHBondContact O-CB 3.43Å; L205-R209 PolarHBondContact O-N 3.11Å; L205-R209 VanDerWaalsContact O-N 3.07Å |
| 206 | A | 95.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 111.7 Ų | 111.7 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.9 | -46.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R202 K203 R208 R209 | R202-A206 WeakPolarHBondContact O-CB 3.39Å; R202-A206 PolarHBondContact O-N 3.27Å; K203-A206 WeakPolarHBondContact O-CB 3.42Å; K203-A206 PolarHBondContact O-N 3.02Å; K203-A206 VanDerWaalsContact O-N 3.14Å; A206-R208 PolarHBondContact O-N 3.5Å; A206-R209 PolarHBondContact O-N 2.94Å; A206-R209 VanDerWaalsContact O-N 3.08Å |
| 207 | D | 95.3 | Very high | 93.6 | Very high | 103 Ų | 103 | 111.5 Ų | 111.5 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61 | -33.4 | 178.5 | -63.5 | -19 | 0 | 0 | 0 | 112.2 | K203 | K203-D207 VanDerWaalsContact O-CG 3.23Å; K203-D207 PolarHBondContact O-N 3.23Å |
| 208 | R | 95.1 | Very high | 93.7 | Very high | 163 Ų | 163 | 117.6 Ų | 117.6 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -79.7 | -23.3 | 176.9 | -72.1 | 176.1 | -174.5 | -159.5 | 0.5 | 113.5 | T204 L205 A206 Q210 | T204-R208 WeakPolarHBondContact O-CB 3.46Å; T204-R208 VanDerWaalsContact O-CG 3.25Å; T204-R208 WeakPolarHBondContact O-CG 3.49Å; T204-R208 PolarHBondContact O-N 3.13Å; T204-R208 VanDerWaalsContact O-N 3.16Å; L205-R208 PolarHBondContact O-N 3.07Å; A206-R208 PolarHBondContact O-N 3.5Å; R208-Q210 PolarHBondContact O-N 3.36Å |
| 209 | R | 93.9 | Very high | 93.9 | Very high | 201 Ų | 201 | 114.3 Ų | 114.3 | 76% | 0.758 | 56% | 0.562 | S | S | * | * | trans | -80.6 | 107 | -177.4 | -179.9 | 176.4 | 166.8 | -128.1 | 0.2 | 109.1 | L205 A206 | L205-R209 WeakPolarHBondContact O-CB 3.43Å; L205-R209 PolarHBondContact O-N 3.11Å; L205-R209 VanDerWaalsContact O-N 3.07Å; A206-R209 PolarHBondContact O-N 2.94Å; A206-R209 VanDerWaalsContact O-N 3.08Å | ||
| 210 | Q | 89.6 | Confident | 94.1 | Very high | 132 Ų | 132 | 114.9 Ų | 114.9 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | trans | -82.1 | 130.2 | 171.6 | -63.1 | -60.6 | -53.4 | 0 | 0 | 109.6 | R208 | R208-Q210 PolarHBondContact O-N 3.36Š| ||
| 211 | P | 91.8 | Very high | 94.2 | Very high | 106 Ų | 106 | 113.3 Ų | 113.3 | 69% | 0.688 | 57% | 0.565 | S | S | * | * | trans | -63.4 | 146.9 | 173 | 27.2 | -32.4 | 0 | 0 | 0 | 110.3 | ||||
| 212 | L | 90.3 | Very high | 94.3 | Very high | 87 Ų | 87 | 109.7 Ų | 109.7 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | trans | -94.6 | 110.8 | 177.2 | -63.1 | 179.4 | 0 | 0 | 0 | 108.2 | I214 M229 | L212-I214 HydrophobicContact CB-CG2 4.3Å; L212-M229 HydrophobicContact CD1-CE 4.24Å; L212-M229 HydrophobicContact CD1-SD 3.81Å; L212-M229 HydrophobicContact CD2-CE 4.49Å; L212-M229 HydrophobicContact CD2-SD 3.5Å; L212-M229 VanDerWaalsContact CD2-SD 3.5Å; L212-M229 HydrophobicContact CG-SD 4.32Å | ||
| 213 | G | 90 | Very high | 94.3 | Very high | 63 Ų | 63 | 109.9 Ų | 109.9 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | trans | -97.8 | 78.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 214 | I | 93.7 | Very high | 94.4 | Very high | 63 Ų | 63 | 109 Ų | 109 | 32% | 0.323 | 55% | 0.554 | S | S | . | * | trans | -106.7 | -9.7 | -173.2 | 57.9 | 171.6 | 0 | 0 | 0 | 114.1 | L212 N216 M217 L222 R225 | L212-I214 HydrophobicContact CB-CG2 4.3Å; I214-N216 VanDerWaalsContact C-N 3.3Å; I214-N216 PolarHBondContact O-N 2.92Å; I214-M217 HydrophobicContact CB-SD 4.35Å; I214-M217 HydrophobicContact CG2-SD 4.01Å; I214-M217 PolarHBondContact O-N 3.11Å; I214-L222 HydrophobicContact CB-CD2 3.94Å; I214-L222 HydrophobicContact CG2-CD2 4.29Å; I214-R225 HydrophobicContact CG2-CG 4.27Å | ||
| 215 | D | 92.2 | Very high | 94.4 | Very high | 140 Ų | 140 | 109.8 Ų | 109.8 | 75% | 0.749 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -33 | -166.6 | -50.9 | -43.7 | 0 | 0 | 0 | 113.2 | ||
| 216 | N | 93.2 | Very high | 94.5 | Very high | 168 Ų | 168 | 107.6 Ų | 107.6 | 90% | 0.898 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 23.6 | -176.5 | -59.6 | -18.5 | 0 | 0 | 0 | 112.8 | I214 | I214-N216 VanDerWaalsContact C-N 3.3Å; I214-N216 PolarHBondContact O-N 2.92Å |
| 217 | M | 95 | Very high | 94.6 | Very high | 66 Ų | 66 | 109.5 Ų | 109.5 | 33% | 0.325 | 55% | 0.545 | S | S | . | . | trans | -92.4 | 140.1 | -178.2 | -66 | -173.8 | 73.2 | 0 | 0 | 112.3 | I214 L222 R225 | I214-M217 HydrophobicContact CB-SD 4.35Å; I214-M217 HydrophobicContact CG2-SD 4.01Å; I214-M217 PolarHBondContact O-N 3.11Å; M217-L222 HydrophobicContact CB-CD2 3.74Å; M217-L222 HydrophobicContact CB-CG 3.78Å; M217-L222 HydrophobicContact SD-CD2 4.31Å; M217-R225 HydrophobicContact CE-CB 4.14Å | ||
| 218 | R | 95.9 | Very high | 94.6 | Very high | 190 Ų | 190 | 109.6 Ų | 109.6 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | trans | -71.1 | 154.6 | 171.7 | -169.3 | 175.2 | 177 | -166.7 | -2.2 | 110.9 | D220 S221 L222 | R218-D220 PolarHBondContact O-N 3.24Å; R218-S221 CarbonylContact O-C 3.6Å; R218-S221 WeakPolarHBondContact O-CA 3.47Å; R218-S221 WeakPolarHBondContact O-CB 3.34Å; R218-S221 PolarHBondContact O-N 3.33Å; R218-L222 PolarHBondContact O-N 2.87Å | ||
| 219 | E | 96 | Very high | 94.6 | Very high | 118 Ų | 118 | 105.2 Ų | 105.2 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -49.4 | -48.1 | -177.4 | -168.7 | -175 | 166.6 | 0 | 0 | 114.3 | S221 L222 R223 | E219-S221 VanDerWaalsContact C-N 3.27Å; E219-S221 PolarHBondContact O-N 2.86Å; E219-L222 WeakPolarHBondContact O-CB 3.31Å; E219-L222 PolarHBondContact O-N 2.84Å; E219-L222 VanDerWaalsContact O-N 3.14Å; E219-R223 WeakPolarHBondContact O-CG 3.2Å; E219-R223 PolarHBondContact O-N 2.89Å; E219-R223 IonicContact OE1-CZ 2.9Å; E219-R223 IonicContact OE1-NE 3.89Å; E219-R223 PolarHBondContact OE1-NE 3.25Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 3.29Å |
| 220 | D | 96.8 | Very high | 94.8 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.8 | -66.1 | -34.8 | 0 | 0 | 0 | 112 | R218 R223 N224 | R218-D220 PolarHBondContact O-N 3.24Å; D220-R223 PolarHBondContact O-N 3.42Å; D220-N224 PolarHBondContact O-N 2.95Å; D220-N224 VanDerWaalsContact O-N 3.12Å; D220-N224 PolarHBondContact O-ND2 3.39Å |
| 221 | S | 96.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | R218 E219 N224 R225 | R218-S221 CarbonylContact O-C 3.6Å; R218-S221 WeakPolarHBondContact O-CA 3.47Å; R218-S221 WeakPolarHBondContact O-CB 3.34Å; R218-S221 PolarHBondContact O-N 3.33Å; E219-S221 VanDerWaalsContact C-N 3.27Å; E219-S221 PolarHBondContact O-N 2.86Å; S221-N224 PolarHBondContact O-N 3.44Å; S221-R225 WeakPolarHBondContact O-CB 3.44Å; S221-R225 PolarHBondContact O-N 3.19Å |
| 222 | L | 96.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 102.4 Ų | 102.4 | 35% | 0.351 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 173.6 | -72.9 | 170.1 | 0 | 0 | 0 | 111.8 | I214 M217 R218 E219 R225 A226 | I214-L222 HydrophobicContact CB-CD2 3.94Å; I214-L222 HydrophobicContact CG2-CD2 4.29Å; M217-L222 HydrophobicContact CB-CD2 3.74Å; M217-L222 HydrophobicContact CB-CG 3.78Å; M217-L222 HydrophobicContact SD-CD2 4.31Å; R218-L222 PolarHBondContact O-N 2.87Å; E219-L222 WeakPolarHBondContact O-CB 3.31Å; E219-L222 PolarHBondContact O-N 2.84Å; E219-L222 VanDerWaalsContact O-N 3.14Å; L222-R225 PolarHBondContact O-N 3.42Å; L222-A226 WeakPolarHBondContact O-CB 3.18Å; L222-A226 PolarHBondContact O-N 3.4Å |
| 223 | R | 97.4 | Very high | 95.8 | Very high | 159 Ų | 159 | 102.8 Ų | 102.8 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -45.7 | 175.1 | -70.6 | 175.3 | -177.6 | -137.4 | 5.1 | 111.5 | E219 D220 A226 Q227 | E219-R223 WeakPolarHBondContact O-CG 3.2Å; E219-R223 PolarHBondContact O-N 2.89Å; E219-R223 IonicContact OE1-CZ 2.9Å; E219-R223 IonicContact OE1-NE 3.89Å; E219-R223 PolarHBondContact OE1-NE 3.25Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 3.29Å; D220-R223 PolarHBondContact O-N 3.42Å; R223-A226 PolarHBondContact O-N 3.21Å; R223-Q227 PolarHBondContact O-N 3.39Å |
| 224 | N | 96.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 104.7 Ų | 104.7 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 175 | -70.5 | -25.9 | 0 | 0 | 0 | 111.5 | D220 S221 A226 Q227 E228 | D220-N224 PolarHBondContact O-N 2.95Å; D220-N224 VanDerWaalsContact O-N 3.12Å; D220-N224 PolarHBondContact O-ND2 3.39Å; S221-N224 PolarHBondContact O-N 3.44Å; N224-A226 VanDerWaalsContact C-N 3.34Å; N224-A226 PolarHBondContact O-N 2.93Å; N224-Q227 WeakPolarHBondContact O-CB 3.35Å; N224-Q227 PolarHBondContact O-N 3.28Å; N224-E228 WeakPolarHBondContact O-CG 3.43Å; N224-E228 PolarHBondContact O-N 3.44Å |
| 225 | R | 95.9 | Very high | 96.4 | Very high | 71 Ų | 71 | 105.9 Ų | 105.9 | 27% | 0.268 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.5 | -173 | 56.7 | 175.1 | 170.9 | -2.1 | 112.4 | I214 M217 S221 L222 E228 M229 | I214-R225 HydrophobicContact CG2-CG 4.27Å; M217-R225 HydrophobicContact CE-CB 4.14Å; S221-R225 WeakPolarHBondContact O-CB 3.44Å; S221-R225 PolarHBondContact O-N 3.19Å; L222-R225 PolarHBondContact O-N 3.42Å; R225-E228 IonicContact CZ-OE2 3.43Å; R225-E228 IonicContact NH1-OE2 3.91Å; R225-E228 PolarHBondContact NH1-OE2 3.49Å; R225-E228 PolarHBondContact O-N 3.03Å; R225-M229 WeakPolarHBondContact O-CG 3.4Å; R225-M229 PolarHBondContact O-N 2.88Å |
| 226 | A | 96.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 102.7 Ų | 102.7 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L222 R223 N224 M229 W230 | L222-A226 WeakPolarHBondContact O-CB 3.18Å; L222-A226 PolarHBondContact O-N 3.4Å; R223-A226 PolarHBondContact O-N 3.21Å; N224-A226 VanDerWaalsContact C-N 3.34Å; N224-A226 PolarHBondContact O-N 2.93Å; A226-M229 PolarHBondContact O-N 3.35Å; A226-W230 WeakPolarHBondContact O-CB 3.38Å; A226-W230 PolarHBondContact O-N 3.47Å |
| 227 | Q | 97.8 | Very high | 96.9 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.6 | -171.2 | 62.3 | 47.3 | 0 | 0 | 112.1 | R223 N224 W230 N231 | R223-Q227 PolarHBondContact O-N 3.39Å; N224-Q227 WeakPolarHBondContact O-CB 3.35Å; N224-Q227 PolarHBondContact O-N 3.28Å; Q227-W230 PolarHBondContact O-N 3.49Å; Q227-N231 PolarHBondContact NE2-OD1 3.43Å; Q227-N231 WeakPolarHBondContact O-CB 3.29Å; Q227-N231 VanDerWaalsContact O-CG 3.24Å; Q227-N231 PolarHBondContact O-N 3.12Å; Q227-N231 PolarHBondContact O-ND2 2.92Å |
| 228 | E | 95.9 | Very high | 97 | Very high | 106 Ų | 106 | 99.7 Ų | 99.7 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 173.5 | -72.5 | 175.2 | -179.4 | 0 | 0 | 111.8 | N224 R225 W230 N231 W232 | N224-E228 WeakPolarHBondContact O-CG 3.43Å; N224-E228 PolarHBondContact O-N 3.44Å; R225-E228 IonicContact CZ-OE2 3.43Å; R225-E228 IonicContact NH1-OE2 3.91Å; R225-E228 PolarHBondContact NH1-OE2 3.49Å; R225-E228 PolarHBondContact O-N 3.03Å; E228-W230 VanDerWaalsContact C-N 3.34Å; E228-W230 PolarHBondContact O-N 3.39Å; E228-N231 PolarHBondContact O-N 2.92Å; E228-W232 WeakPolarHBondContact O-CB 3.38Å; E228-W232 PolarHBondContact O-N 3.31Å |
| 229 | M | 95.7 | Very high | 97.1 | Very high | 71 Ų | 71 | 94.1 Ų | 94.1 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.1 | -72.6 | -154.7 | -69.6 | 0 | 0 | 112 | L212 R225 A226 W232 I233 | L212-M229 HydrophobicContact CD1-CE 4.24Å; L212-M229 HydrophobicContact CD1-SD 3.81Å; L212-M229 HydrophobicContact CD2-CE 4.49Å; L212-M229 HydrophobicContact CD2-SD 3.5Å; L212-M229 VanDerWaalsContact CD2-SD 3.5Å; L212-M229 HydrophobicContact CG-SD 4.32Å; R225-M229 WeakPolarHBondContact O-CG 3.4Å; R225-M229 PolarHBondContact O-N 2.88Å; A226-M229 PolarHBondContact O-N 3.35Å; M229-W232 PolarHBondContact O-N 2.88Å; M229-I233 WeakPolarHBondContact O-CG1 3.23Å; M229-I233 PolarHBondContact O-N 2.91Å |
| 230 | W | 97.8 | Very high | 97.3 | Very high | 148 Ų | 148 | 95 Ų | 95 | 56% | 0.561 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.5 | -47 | 175.9 | -178.1 | 88.1 | 0 | 0 | 0 | 111.4 | A226 Q227 E228 W232 I233 H234 | A226-W230 WeakPolarHBondContact O-CB 3.38Å; A226-W230 PolarHBondContact O-N 3.47Å; Q227-W230 PolarHBondContact O-N 3.49Å; E228-W230 VanDerWaalsContact C-N 3.34Å; E228-W230 PolarHBondContact O-N 3.39Å; W230-W232 VanDerWaalsContact C-N 3.28Å; W230-W232 PolarHBondContact O-N 2.85Å; W230-I233 PolarHBondContact O-N 2.92Å; W230-H234 WeakPolarHBondContact O-CB 3.49Å; W230-H234 PolarHBondContact O-N 3.14Å |
| 231 | N | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 43% | 0.428 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 175.2 | -70.5 | -27 | 0 | 0 | 0 | 111.4 | Q227 E228 H234 Q235 | Q227-N231 PolarHBondContact NE2-OD1 3.43Å; Q227-N231 WeakPolarHBondContact O-CB 3.29Å; Q227-N231 VanDerWaalsContact O-CG 3.24Å; Q227-N231 PolarHBondContact O-N 3.12Å; Q227-N231 PolarHBondContact O-ND2 2.92Å; E228-N231 PolarHBondContact O-N 2.92Å; N231-H234 PolarHBondContact O-N 3.27Å; N231-Q235 WeakPolarHBondContact O-CB 3.17Å; N231-Q235 PolarHBondContact O-N 3.33Å |
| 232 | W | 96.7 | Very high | 97.4 | Very high | 152 Ų | 152 | 97.6 Ų | 97.6 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.9 | -43.5 | 178.3 | -172.9 | -113.1 | 0 | 0 | 0 | 112.6 | E228 M229 W230 Q235 L236 | E228-W232 WeakPolarHBondContact O-CB 3.38Å; E228-W232 PolarHBondContact O-N 3.31Å; M229-W232 PolarHBondContact O-N 2.88Å; W230-W232 VanDerWaalsContact C-N 3.28Å; W230-W232 PolarHBondContact O-N 2.85Å; W232-Q235 PolarHBondContact O-N 3.24Å; W232-L236 HydrophobicContact CZ2-CD2 4.47Å; W232-L236 WeakPolarHBondContact O-CG 3.36Å; W232-L236 PolarHBondContact O-N 2.95Å |
| 233 | I | 97 | Very high | 97.5 | Very high | 94 Ų | 94 | 100.2 Ų | 100.2 | 48% | 0.482 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 174.4 | -69.4 | 168.7 | 0 | 0 | 0 | 109.9 | M229 W230 Q235 L236 E237 | M229-I233 WeakPolarHBondContact O-CG1 3.23Å; M229-I233 PolarHBondContact O-N 2.91Å; W230-I233 PolarHBondContact O-N 2.92Å; I233-Q235 VanDerWaalsContact C-N 3.31Å; I233-Q235 PolarHBondContact O-N 3.45Å; I233-L236 PolarHBondContact O-N 3.36Å; I233-L236 VanDerWaalsContact O-N 3.14Å; I233-E237 HydrophobicContact CG2-CG 4.36Å; I233-E237 WeakPolarHBondContact O-CG 3.43Å; I233-E237 PolarHBondContact O-N 3.39Å |
| 234 | H | 98.3 | Very high | 97.6 | Very high | 103 Ų | 103 | 97 Ų | 97 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58 | -43 | 179.2 | -177.3 | -80.7 | 0 | 0 | 0 | 112 | W230 N231 E237 S238 | W230-H234 WeakPolarHBondContact O-CB 3.49Å; W230-H234 PolarHBondContact O-N 3.14Å; N231-H234 PolarHBondContact O-N 3.27Å; H234-E237 PolarHBondContact O-N 3.35Å; H234-S238 PolarHBondContact O-N 3.14Å |
| 235 | Q | 98.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 95.7 Ų | 95.7 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.4 | -179.1 | 62.5 | 25.2 | 0 | 0 | 111.9 | N231 W232 I233 E237 S238 E239 | N231-Q235 WeakPolarHBondContact O-CB 3.17Å; N231-Q235 PolarHBondContact O-N 3.33Å; W232-Q235 PolarHBondContact O-N 3.24Å; I233-Q235 VanDerWaalsContact C-N 3.31Å; I233-Q235 PolarHBondContact O-N 3.45Å; Q235-E237 VanDerWaalsContact C-N 3.31Å; Q235-E237 PolarHBondContact O-N 2.8Å; Q235-S238 WeakPolarHBondContact O-CB 3.28Å; Q235-S238 PolarHBondContact O-N 3.12Å; Q235-E239 PolarHBondContact NE2-OE1 3.37Å; Q235-E239 WeakPolarHBondContact O-CG 3.34Å; Q235-E239 PolarHBondContact O-N 3.49Å |
| 236 | L | 97.5 | Very high | 97.8 | Very high | 73 Ų | 73 | 97.2 Ų | 97.2 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 178.2 | -69.9 | 174.8 | 0 | 0 | 0 | 112.4 | W232 I233 K240 | W232-L236 HydrophobicContact CZ2-CD2 4.47Å; W232-L236 WeakPolarHBondContact O-CG 3.36Å; W232-L236 PolarHBondContact O-N 2.95Å; I233-L236 PolarHBondContact O-N 3.36Å; I233-L236 VanDerWaalsContact O-N 3.14Å; L236-K240 VanDerWaalsContact O-CB 3.28Å; L236-K240 WeakPolarHBondContact O-CB 3.42Å; L236-K240 PolarHBondContact O-N 3.48Å |
| 237 | E | 98.3 | Very high | 97.8 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | 175.2 | -73.5 | -174.2 | 160.6 | 0 | 0 | 111.9 | I233 H234 Q235 K240 F241 | I233-E237 HydrophobicContact CG2-CG 4.36Å; I233-E237 WeakPolarHBondContact O-CG 3.43Å; I233-E237 PolarHBondContact O-N 3.39Å; H234-E237 PolarHBondContact O-N 3.35Å; Q235-E237 VanDerWaalsContact C-N 3.31Å; Q235-E237 PolarHBondContact O-N 2.8Å; E237-K240 PolarHBondContact O-N 3.13Å; E237-F241 PolarHBondContact O-N 3.46Å |
| 238 | S | 98.3 | Very high | 97.8 | Very high | 50 Ų | 50 | 99.3 Ų | 99.3 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 174.1 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | H234 Q235 K240 F241 D242 | H234-S238 PolarHBondContact O-N 3.14Å; Q235-S238 WeakPolarHBondContact O-CB 3.28Å; Q235-S238 PolarHBondContact O-N 3.12Å; S238-K240 VanDerWaalsContact C-N 3.32Å; S238-K240 PolarHBondContact O-N 3.37Å; S238-F241 WeakPolarHBondContact O-CB 3.44Å; S238-F241 PolarHBondContact O-N 2.92Å; S238-F241 VanDerWaalsContact O-N 3.12Å; S238-D242 PolarHBondContact O-N 3.37Å |
| 239 | E | 98.3 | Very high | 98 | Very high | 74 Ų | 74 | 99.4 Ų | 99.4 | 35% | 0.346 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.3 | -72.6 | 177.7 | -165.3 | 0 | 0 | 112.1 | Q235 F241 D242 F243 | Q235-E239 PolarHBondContact NE2-OE1 3.37Å; Q235-E239 WeakPolarHBondContact O-CG 3.34Å; Q235-E239 PolarHBondContact O-N 3.49Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 3.44Å; E239-D242 PolarHBondContact O-N 3.44Å; E239-F243 HydrophobicContact CB-CE2 4.31Å; E239-F243 WeakPolarHBondContact O-CD2 3.36Å; E239-F243 WeakPolarHBondContact O-CG 3.4Å; E239-F243 PolarHBondContact O-N 2.68Å |
| 240 | K | 98.2 | Very high | 98.1 | Very high | 135 Ų | 135 | 100.3 Ų | 100.3 | 59% | 0.587 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.5 | -43.3 | 174.6 | 174.1 | -172.3 | 163.2 | -165.7 | 0 | 111.1 | L236 E237 S238 F243 M244 | L236-K240 VanDerWaalsContact O-CB 3.28Å; L236-K240 WeakPolarHBondContact O-CB 3.42Å; L236-K240 PolarHBondContact O-N 3.48Å; E237-K240 PolarHBondContact O-N 3.13Å; S238-K240 VanDerWaalsContact C-N 3.32Å; S238-K240 PolarHBondContact O-N 3.37Å; K240-F243 PolarHBondContact O-N 3.27Å; K240-M244 HydrophobicContact CG-SD 4.17Å; K240-M244 WeakPolarHBondContact O-CB 3.3Å; K240-M244 VanDerWaalsContact O-CG 3.26Å; K240-M244 WeakPolarHBondContact O-CG 3.21Å; K240-M244 PolarHBondContact O-N 2.93Å |
| 241 | F | 98.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 99.6 Ų | 99.6 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 177 | 176.7 | -92.7 | 0 | 0 | 0 | 111.2 | E237 S238 E239 F243 M244 E245 | E237-F241 PolarHBondContact O-N 3.46Å; S238-F241 WeakPolarHBondContact O-CB 3.44Å; S238-F241 PolarHBondContact O-N 2.92Å; S238-F241 VanDerWaalsContact O-N 3.12Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 3.44Å; F241-F243 VanDerWaalsContact C-N 3.34Å; F241-F243 PolarHBondContact O-N 3.47Å; F241-M244 WeakPolarHBondContact O-CB 3.22Å; F241-M244 PolarHBondContact O-N 3.22Å; F241-E245 HydrophobicContact CD1-CG 4.32Å; F241-E245 HydrophobicContact CE1-CG 3.8Å; F241-E245 HydrophobicContact CE2-CG 4.27Å; F241-E245 HydrophobicContact CZ-CG 3.77Å; F241-E245 PolarHBondContact O-N 2.91Å |
| 242 | D | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 103.2 Ų | 103.2 | 42% | 0.422 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 178.5 | -69.3 | -25.4 | 0 | 0 | 0 | 111.6 | S238 E239 M244 E245 Q246 | S238-D242 PolarHBondContact O-N 3.37Å; E239-D242 PolarHBondContact O-N 3.44Å; D242-M244 VanDerWaalsContact C-N 3.32Å; D242-M244 PolarHBondContact O-N 2.92Å; D242-E245 PolarHBondContact O-N 3.02Å; D242-Q246 WeakPolarHBondContact O-CB 3.32Å; D242-Q246 VanDerWaalsContact O-CG 3.28Å; D242-Q246 WeakPolarHBondContact O-CG 3.44Å; D242-Q246 PolarHBondContact O-N 3.45Å |
| 243 | F | 98.6 | Very high | 98.2 | Very high | 123 Ų | 123 | 100.5 Ų | 100.5 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 175 | -70.9 | -47 | 0 | 0 | 0 | 112.6 | E239 K240 F241 M247 | E239-F243 HydrophobicContact CB-CE2 4.31Å; E239-F243 WeakPolarHBondContact O-CD2 3.36Å; E239-F243 WeakPolarHBondContact O-CG 3.4Å; E239-F243 PolarHBondContact O-N 2.68Å; K240-F243 PolarHBondContact O-N 3.27Å; F241-F243 VanDerWaalsContact C-N 3.34Å; F241-F243 PolarHBondContact O-N 3.47Å; F243-M247 VanDerWaalsContact O-CB 3.29Å; F243-M247 WeakPolarHBondContact O-CB 3.45Å; F243-M247 WeakPolarHBondContact O-CG 3.33Å; F243-M247 PolarHBondContact O-N 3.47Å |
| 244 | M | 98.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 45% | 0.453 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176 | -77 | 177.8 | 57.5 | 0 | 0 | 111.8 | K240 F241 D242 M247 K248 | K240-M244 HydrophobicContact CG-SD 4.17Å; K240-M244 WeakPolarHBondContact O-CB 3.3Å; K240-M244 VanDerWaalsContact O-CG 3.26Å; K240-M244 WeakPolarHBondContact O-CG 3.21Å; K240-M244 PolarHBondContact O-N 2.93Å; F241-M244 WeakPolarHBondContact O-CB 3.22Å; F241-M244 PolarHBondContact O-N 3.22Å; D242-M244 VanDerWaalsContact C-N 3.32Å; D242-M244 PolarHBondContact O-N 2.92Å; M244-M247 PolarHBondContact O-N 2.9Å; M244-K248 WeakPolarHBondContact O-CG 3.22Å; M244-K248 PolarHBondContact O-N 3.48Å |
| 245 | E | 98.3 | Very high | 98.2 | Very high | 76 Ų | 76 | 99.4 Ų | 99.4 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 176.7 | -68 | -52.3 | 114.1 | 0 | 0 | 111.7 | F241 D242 M247 K248 H249 | F241-E245 HydrophobicContact CD1-CG 4.32Å; F241-E245 HydrophobicContact CE1-CG 3.8Å; F241-E245 HydrophobicContact CE2-CG 4.27Å; F241-E245 HydrophobicContact CZ-CG 3.77Å; F241-E245 PolarHBondContact O-N 2.91Å; D242-E245 PolarHBondContact O-N 3.02Å; E245-M247 VanDerWaalsContact C-N 3.32Å; E245-M247 PolarHBondContact O-N 2.94Å; E245-K248 WeakPolarHBondContact O-CB 3.23Å; E245-K248 PolarHBondContact O-N 3.29Å; E245-K248 VanDerWaalsContact O-N 3.13Å; E245-K248 WeakPolarHBondContact OE1-CD 3.47Å; E245-K248 WeakPolarHBondContact OE1-CE 3.37Å; E245-K248 IonicContact OE1-NZ 3.48Å; E245-K248 PolarHBondContact OE1-NZ 2.97Å; E245-H249 PolarHBondContact O-N 3.32Å |
| 246 | Q | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 173.1 | -73.4 | 176.9 | 7.6 | 0 | 0 | 111.7 | D242 K248 H249 Q250 | D242-Q246 WeakPolarHBondContact O-CB 3.32Å; D242-Q246 VanDerWaalsContact O-CG 3.28Å; D242-Q246 WeakPolarHBondContact O-CG 3.44Å; D242-Q246 PolarHBondContact O-N 3.45Å; Q246-K248 VanDerWaalsContact C-N 3.33Å; Q246-K248 PolarHBondContact O-N 2.92Å; Q246-H249 PolarHBondContact O-N 3.27Å; Q246-Q250 WeakPolarHBondContact O-CB 3.28Å; Q246-Q250 WeakPolarHBondContact O-CG 3.3Å; Q246-Q250 PolarHBondContact O-N 2.93Å |
| 247 | M | 98.2 | Very high | 98.3 | Very high | 94 Ų | 94 | 98.2 Ų | 98.2 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 177.7 | -75 | -66.2 | -64.8 | 0 | 0 | 112.5 | F243 M244 E245 R251 | F243-M247 VanDerWaalsContact O-CB 3.29Å; F243-M247 WeakPolarHBondContact O-CB 3.45Å; F243-M247 WeakPolarHBondContact O-CG 3.33Å; F243-M247 PolarHBondContact O-N 3.47Å; M244-M247 PolarHBondContact O-N 2.9Å; E245-M247 VanDerWaalsContact C-N 3.32Å; E245-M247 PolarHBondContact O-N 2.94Å; M247-R251 WeakPolarHBondContact O-CG 3.24Å; M247-R251 PolarHBondContact O-N 3.4Å; M247-R251 VanDerWaalsContact O-N 3.08Å |
| 248 | K | 98.2 | Very high | 98.2 | Very high | 101 Ų | 101 | 96.9 Ų | 96.9 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 172.3 | -73 | 171.4 | -174.4 | 171.7 | 0 | 110.9 | M244 E245 Q246 R251 Y252 | M244-K248 WeakPolarHBondContact O-CG 3.22Å; M244-K248 PolarHBondContact O-N 3.48Å; E245-K248 WeakPolarHBondContact O-CB 3.23Å; E245-K248 PolarHBondContact O-N 3.29Å; E245-K248 VanDerWaalsContact O-N 3.13Å; E245-K248 WeakPolarHBondContact OE1-CD 3.47Å; E245-K248 WeakPolarHBondContact OE1-CE 3.37Å; E245-K248 IonicContact OE1-NZ 3.48Å; E245-K248 PolarHBondContact OE1-NZ 2.97Å; Q246-K248 VanDerWaalsContact C-N 3.33Å; Q246-K248 PolarHBondContact O-N 2.92Å; K248-R251 PolarHBondContact O-N 3.32Å; K248-Y252 PolarHBondContact O-N 2.91Å |
| 249 | H | 98.1 | Very high | 98.1 | Very high | 108 Ų | 108 | 98.1 Ų | 98.1 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 178.4 | -169.5 | 71.6 | 0 | 0 | 0 | 111.8 | E245 Q246 R251 Y252 E253 | E245-H249 PolarHBondContact O-N 3.32Å; Q246-H249 PolarHBondContact O-N 3.27Å; H249-R251 VanDerWaalsContact C-N 3.31Å; H249-R251 PolarHBondContact O-N 2.89Å; H249-Y252 WeakPolarHBondContact O-CA 3.49Å; H249-Y252 WeakPolarHBondContact O-CB 3.19Å; H249-Y252 PolarHBondContact O-N 3.41Å; H249-E253 IonicContact CD2-OE1 3.69Å; H249-E253 IonicContact NE2-OE1 3.68Å; H249-E253 PolarHBondContact NE2-OE1 2.94Å; H249-E253 PolarHBondContact O-N 3.17Å |
| 250 | Q | 98.3 | Very high | 98 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 177.5 | -72.5 | 175.3 | -4.7 | 0 | 0 | 112.5 | Q246 Y252 E253 I254 | Q246-Q250 WeakPolarHBondContact O-CB 3.28Å; Q246-Q250 WeakPolarHBondContact O-CG 3.3Å; Q246-Q250 PolarHBondContact O-N 2.93Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 2.78Å; Q250-E253 PolarHBondContact O-N 2.86Å; Q250-I254 WeakPolarHBondContact O-CB 3.39Å; Q250-I254 VanDerWaalsContact O-CG1 3.23Å; Q250-I254 WeakPolarHBondContact O-CG1 3.48Å; Q250-I254 PolarHBondContact O-N 2.95Å |
| 251 | R | 98.1 | Very high | 97.9 | Very high | 133 Ų | 133 | 100.3 Ų | 100.3 | 50% | 0.502 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 174 | -79.5 | -171.3 | -65.7 | -90.8 | 4 | 112.1 | M247 K248 H249 T255 | M247-R251 WeakPolarHBondContact O-CG 3.24Å; M247-R251 PolarHBondContact O-N 3.4Å; M247-R251 VanDerWaalsContact O-N 3.08Å; K248-R251 PolarHBondContact O-N 3.32Å; H249-R251 VanDerWaalsContact C-N 3.31Å; H249-R251 PolarHBondContact O-N 2.89Å; R251-T255 PolarHBondContact O-N 3.13Å; R251-T255 VanDerWaalsContact O-N 3.13Å; R251-T255 PolarHBondContact O-OG1 3.38Å |
| 252 | Y | 98.3 | Very high | 97.6 | Very high | 156 Ų | 156 | 99.4 Ų | 99.4 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.1 | -48.1 | 175.1 | 174.8 | -98.1 | 0 | 0 | 0 | 111.4 | K248 H249 Q250 I254 T255 V256 | K248-Y252 PolarHBondContact O-N 2.91Å; H249-Y252 WeakPolarHBondContact O-CA 3.49Å; H249-Y252 WeakPolarHBondContact O-CB 3.19Å; H249-Y252 PolarHBondContact O-N 3.41Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 2.78Å; Y252-I254 VanDerWaalsContact C-N 3.35Å; Y252-I254 PolarHBondContact O-N 3.47Å; Y252-T255 WeakPolarHBondContact O-CB 3.4Å; Y252-T255 PolarHBondContact O-N 3.49Å; Y252-V256 HydrophobicContact CD1-CG2 4.19Å; Y252-V256 HydrophobicContact CD2-CG2 4.47Å; Y252-V256 HydrophobicContact CE1-CG2 3.68Å; Y252-V256 HydrophobicContact CE2-CG2 4Å; Y252-V256 WeakPolarHBondContact O-CG2 3.23Å; Y252-V256 PolarHBondContact O-N 2.92Å |
| 253 | E | 98.3 | Very high | 97.4 | Very high | 95 Ų | 95 | 100.5 Ų | 100.5 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 177.8 | -69.1 | -168.6 | 133.3 | 0 | 0 | 112.2 | H249 Q250 T255 V256 L257 | H249-E253 IonicContact CD2-OE1 3.69Å; H249-E253 IonicContact NE2-OE1 3.68Å; H249-E253 PolarHBondContact NE2-OE1 2.94Å; H249-E253 PolarHBondContact O-N 3.17Å; Q250-E253 PolarHBondContact O-N 2.86Å; E253-T255 VanDerWaalsContact C-N 3.29Å; E253-T255 PolarHBondContact O-N 3.34Å; E253-V256 PolarHBondContact O-N 3.33Å; E253-L257 WeakPolarHBondContact O-CB 3.34Å; E253-L257 WeakPolarHBondContact O-CG 3.46Å; E253-L257 PolarHBondContact O-N 3.16Å |
| 254 | I | 98.2 | Very high | 97 | Very high | 97 Ų | 97 | 97.3 Ų | 97.3 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.9 | -45.4 | 175 | -71.6 | 165.7 | 0 | 0 | 0 | 110.3 | Q250 Y252 V256 L257 L258 | Q250-I254 WeakPolarHBondContact O-CB 3.39Å; Q250-I254 VanDerWaalsContact O-CG1 3.23Å; Q250-I254 WeakPolarHBondContact O-CG1 3.48Å; Q250-I254 PolarHBondContact O-N 2.95Å; Y252-I254 VanDerWaalsContact C-N 3.35Å; Y252-I254 PolarHBondContact O-N 3.47Å; I254-V256 PolarHBondContact O-N 2.85Å; I254-L257 PolarHBondContact O-N 3.49Å; I254-L258 HydrophobicContact CG2-CD1 3.86Å; I254-L258 HydrophobicContact CG2-CG 4.27Å; I254-L258 WeakPolarHBondContact O-CB 3.36Å; I254-L258 VanDerWaalsContact O-CG 3.24Å; I254-L258 WeakPolarHBondContact O-CG 3.19Å; I254-L258 PolarHBondContact O-N 3.24Å |
| 255 | T | 98 | Very high | 96.6 | Very high | 76 Ų | 76 | 98.6 Ų | 98.6 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | R251 Y252 E253 L258 N259 | R251-T255 PolarHBondContact O-N 3.13Å; R251-T255 VanDerWaalsContact O-N 3.13Å; R251-T255 PolarHBondContact O-OG1 3.38Å; Y252-T255 WeakPolarHBondContact O-CB 3.4Å; Y252-T255 PolarHBondContact O-N 3.49Å; E253-T255 VanDerWaalsContact C-N 3.29Å; E253-T255 PolarHBondContact O-N 3.34Å; T255-L258 PolarHBondContact O-N 3.43Å; T255-N259 PolarHBondContact O-N 2.97Å; T255-N259 PolarHBondContact O-ND2 2.9Å |
| 256 | V | 98.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 101.6 Ų | 101.6 | 30% | 0.303 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | Y252 E253 I254 N259 R260 | Y252-V256 HydrophobicContact CD1-CG2 4.19Å; Y252-V256 HydrophobicContact CD2-CG2 4.47Å; Y252-V256 HydrophobicContact CE1-CG2 3.68Å; Y252-V256 HydrophobicContact CE2-CG2 4Å; Y252-V256 WeakPolarHBondContact O-CG2 3.23Å; Y252-V256 PolarHBondContact O-N 2.92Å; E253-V256 PolarHBondContact O-N 3.33Å; I254-V256 PolarHBondContact O-N 2.85Å; V256-N259 PolarHBondContact O-N 2.67Å; V256-R260 HydrophobicContact CG1-CG 4.43Å; V256-R260 VanDerWaalsContact O-CG 3.32Å; V256-R260 WeakPolarHBondContact O-CG 3.31Å; V256-R260 PolarHBondContact O-N 3.49Å |
| 257 | L | 97.9 | Very high | 94.1 | Very high | 87 Ų | 87 | 104.8 Ų | 104.8 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.7 | -73.2 | 171.6 | 0 | 0 | 0 | 111.7 | E253 I254 N259 R260 I261 | E253-L257 WeakPolarHBondContact O-CB 3.34Å; E253-L257 WeakPolarHBondContact O-CG 3.46Å; E253-L257 PolarHBondContact O-N 3.16Å; I254-L257 PolarHBondContact O-N 3.49Å; L257-N259 VanDerWaalsContact C-N 3.34Å; L257-N259 PolarHBondContact O-N 2.89Å; L257-R260 PolarHBondContact O-N 2.84Å; L257-I261 VanDerWaalsContact O-CG1 3.28Å; L257-I261 WeakPolarHBondContact O-CG1 3.33Å; L257-I261 PolarHBondContact O-N 2.9Å |
| 258 | L | 96.7 | Very high | 92.4 | Very high | 93 Ų | 93 | 108.8 Ų | 108.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.3 | -72.8 | 173.2 | 0 | 0 | 0 | 111.3 | I254 T255 R260 I261 Q262 | I254-L258 HydrophobicContact CG2-CD1 3.86Å; I254-L258 HydrophobicContact CG2-CG 4.27Å; I254-L258 WeakPolarHBondContact O-CB 3.36Å; I254-L258 VanDerWaalsContact O-CG 3.24Å; I254-L258 WeakPolarHBondContact O-CG 3.19Å; I254-L258 PolarHBondContact O-N 3.24Å; T255-L258 PolarHBondContact O-N 3.43Å; L258-R260 PolarHBondContact O-N 3.45Å; L258-I261 PolarHBondContact O-N 2.91Å; L258-Q262 WeakPolarHBondContact O-CG 3.33Å; L258-Q262 PolarHBondContact O-N 3.49Å |
| 259 | N | 96.5 | Very high | 90.5 | Very high | 75 Ų | 75 | 113.9 Ų | 113.9 | 40% | 0.401 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 174.4 | -72.6 | -29.1 | 0 | 0 | 0 | 111.4 | T255 V256 L257 I261 Q262 H263 | T255-N259 PolarHBondContact O-N 2.97Å; T255-N259 PolarHBondContact O-ND2 2.9Å; V256-N259 PolarHBondContact O-N 2.67Å; L257-N259 VanDerWaalsContact C-N 3.34Å; L257-N259 PolarHBondContact O-N 2.89Å; N259-I261 VanDerWaalsContact C-N 3.33Å; N259-I261 PolarHBondContact O-N 3.36Å; N259-Q262 PolarHBondContact O-N 2.92Å; N259-H263 PolarHBondContact O-CD2 3.09Å; N259-H263 PolarHBondContact O-N 3.45Å |
| 260 | R | 96.3 | Very high | 88.6 | Confident | 168 Ų | 168 | 111.7 Ų | 111.7 | 63% | 0.634 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.3 | -42.4 | 176.6 | -72 | 171.9 | 69.6 | -178.4 | 3.3 | 112.1 | V256 L257 L258 H263 A264 | V256-R260 HydrophobicContact CG1-CG 4.43Å; V256-R260 VanDerWaalsContact O-CG 3.32Å; V256-R260 WeakPolarHBondContact O-CG 3.31Å; V256-R260 PolarHBondContact O-N 3.49Å; L257-R260 PolarHBondContact O-N 2.84Å; L258-R260 PolarHBondContact O-N 3.45Å; R260-H263 PolarHBondContact O-N 3.06Å; R260-A264 WeakPolarHBondContact O-CB 3.25Å; R260-A264 PolarHBondContact O-N 2.89Å |
| 261 | I | 95.3 | Very high | 86.7 | Confident | 87 Ų | 87 | 116.4 Ų | 116.4 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.2 | -47.8 | 175.5 | -69.9 | 166 | 0 | 0 | 0 | 110.2 | L257 L258 N259 H263 A264 Q265 | L257-I261 VanDerWaalsContact O-CG1 3.28Å; L257-I261 WeakPolarHBondContact O-CG1 3.33Å; L257-I261 PolarHBondContact O-N 2.9Å; L258-I261 PolarHBondContact O-N 2.91Å; N259-I261 VanDerWaalsContact C-N 3.33Å; N259-I261 PolarHBondContact O-N 3.36Å; I261-H263 PolarHBondContact O-N 3.3Å; I261-A264 PolarHBondContact O-N 3.23Å; I261-Q265 HydrophobicContact CG2-CG 4.33Å; I261-Q265 WeakPolarHBondContact O-CB 3.26Å; I261-Q265 VanDerWaalsContact O-CG 3.31Å; I261-Q265 WeakPolarHBondContact O-CG 3.39Å; I261-Q265 PolarHBondContact O-N 2.99Å |
| 262 | Q | 93.9 | Very high | 84.7 | Confident | 103 Ų | 103 | 113.4 Ų | 113.4 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.8 | -45 | 177.9 | -71.8 | 178.3 | 2.9 | 0 | 0 | 111.8 | L258 N259 Q265 K266 | L258-Q262 WeakPolarHBondContact O-CG 3.33Å; L258-Q262 PolarHBondContact O-N 3.49Å; N259-Q262 PolarHBondContact O-N 2.92Å; Q262-Q265 PolarHBondContact O-N 3.21Å; Q262-K266 WeakPolarHBondContact O-CG 3.34Å; Q262-K266 PolarHBondContact O-N 3.49Å |
| 263 | H | 92.4 | Very high | 82.7 | Confident | 103 Ų | 103 | 116 Ų | 116 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.9 | -46.2 | 175.6 | -78.4 | -73.3 | 0 | 0 | 0 | 111.9 | N259 R260 I261 Q265 K266 F267 | N259-H263 PolarHBondContact O-CD2 3.09Å; N259-H263 PolarHBondContact O-N 3.45Å; R260-H263 PolarHBondContact O-N 3.06Å; I261-H263 PolarHBondContact O-N 3.3Å; H263-Q265 VanDerWaalsContact C-N 3.29Å; H263-Q265 PolarHBondContact O-N 3.17Å; H263-K266 PolarHBondContact O-N 3.09Å; H263-F267 WeakPolarHBondContact O-CD2 3.49Å |
| 264 | A | 91.3 | Very high | 80.5 | Confident | 55 Ų | 55 | 114.9 Ų | 114.9 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -33.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R260 I261 | R260-A264 WeakPolarHBondContact O-CB 3.25Å; R260-A264 PolarHBondContact O-N 2.89Å; I261-A264 PolarHBondContact O-N 3.23Å |
| 265 | Q | 88.9 | Confident | 78.2 | Confident | 120 Ų | 120 | 120.1 Ų | 120.1 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.5 | -30.9 | 177.8 | -75.2 | 179.9 | -15 | 0 | 0 | 113.2 | I261 Q262 H263 F267 K268 | I261-Q265 HydrophobicContact CG2-CG 4.33Å; I261-Q265 WeakPolarHBondContact O-CB 3.26Å; I261-Q265 VanDerWaalsContact O-CG 3.31Å; I261-Q265 WeakPolarHBondContact O-CG 3.39Å; I261-Q265 PolarHBondContact O-N 2.99Å; Q262-Q265 PolarHBondContact O-N 3.21Å; H263-Q265 VanDerWaalsContact C-N 3.29Å; H263-Q265 PolarHBondContact O-N 3.17Å; Q265-F267 PolarHBondContact O-N 2.8Å; Q265-K268 PolarHBondContact O-N 2.87Å; Q265-K268 VanDerWaalsContact O-N 3.13Å |
| 266 | K | 77.4 | Confident | 76.2 | Confident | 139 Ų | 139 | 123 Ų | 123 | 60% | 0.604 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.4 | -34.9 | 175.7 | -74.8 | 171.8 | -173.1 | 179.6 | 0 | 112.1 | Q262 H263 | Q262-K266 WeakPolarHBondContact O-CG 3.34Å; Q262-K266 PolarHBondContact O-N 3.49Å; H263-K266 PolarHBondContact O-N 3.09Å |
| 267 | F | 67.4 | Low | 73.8 | Confident | 170 Ų | 170 | 124 Ų | 124 | 75% | 0.746 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -88.6 | -12 | 179.2 | -57.7 | -72.3 | 0 | 0 | 0 | 114.3 | H263 Q265 | H263-F267 WeakPolarHBondContact O-CD2 3.49Å; Q265-F267 PolarHBondContact O-N 2.8Å |
| 268 | K | 62.2 | Low | 71.4 | Confident | 177 Ų | 177 | 122.2 Ų | 122.2 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -81.4 | -11.5 | 177.9 | -79.3 | -172.4 | 176.9 | -173.7 | 0 | 114.5 | Q265 G270 | Q265-K268 PolarHBondContact O-N 2.87Å; Q265-K268 VanDerWaalsContact O-N 3.13Å; K268-G270 VanDerWaalsContact C-N 3.3Å; K268-G270 PolarHBondContact O-N 3.45Å |
| 269 | K | 58.7 | Low | 69.4 | Low | 209 Ų | 209 | 129.1 Ų | 129.1 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 2 | 176.8 | -95.9 | -177 | 177 | 177.8 | 0 | 114.8 | ||
| 270 | G | 59 | Low | 67.1 | Low | 61 Ų | 61 | 137 Ų | 137 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -113.9 | 1.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | K268 | K268-G270 VanDerWaalsContact C-N 3.3Å; K268-G270 PolarHBondContact O-N 3.45Å |
| 271 | H | 57.1 | Low | 65.1 | Low | 190 Ų | 190 | 141.7 Ų | 141.7 | 88% | 0.88 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -134.5 | 112 | 178.8 | -95.8 | -73.6 | 0 | 0 | 0 | 111.7 | ||
| 272 | G | 57 | Low | 63.6 | Low | 71 Ų | 71 | 144.5 Ų | 144.5 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 139.7 | 34.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 273 | K | 55.5 | Low | 62 | Low | 211 Ų | 211 | 146.6 Ų | 146.6 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -137.4 | 51.2 | 149.9 | -73.1 | -157.6 | -179 | -176.2 | 0 | 111.6 | K275 | K273-K275 VanDerWaalsContact C-N 3.32Å; K273-K275 PolarHBondContact O-N 3.36Å; K273-K275 VanDerWaalsContact O-N 3.15Å | ||
| 274 | G | 51.9 | Low | 60.3 | Low | 70 Ų | 70 | 149.1 Ų | 149.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -75.4 | 88.8 | 157 | 0 | 0 | 0 | 0 | 0 | 108.4 | V276 | G274-V276 PolarHBondContact O-N 3.46Š| ||
| 275 | K | 51.5 | Low | 58.5 | Low | 208 Ų | 208 | 154.6 Ų | 154.6 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -73.7 | 74.8 | 167.8 | -167.7 | 165.5 | -177.5 | 173 | 0 | 107.6 | K273 G277 | K273-K275 VanDerWaalsContact C-N 3.32Å; K273-K275 PolarHBondContact O-N 3.36Å; K273-K275 VanDerWaalsContact O-N 3.15Å; K275-G277 PolarHBondContact O-N 3.12Å | ||
| 276 | V | 54.7 | Low | 56.6 | Low | 136 Ų | 136 | 156.8 Ų | 156.8 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -77.4 | 78.8 | 169.6 | -168.6 | 0 | 0 | 0 | 0 | 106.8 | G274 G278 | G274-V276 PolarHBondContact O-N 3.46Å; V276-G278 PolarHBondContact O-N 3Å | ||
| 277 | G | 47.7 | Very low | 55.2 | Low | 70 Ų | 70 | 157.9 Ų | 157.9 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -72.5 | 80.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K275 R279 | K275-G277 PolarHBondContact O-N 3.12Å; G277-R279 PolarHBondContact O-N 2.9Å; G277-R279 VanDerWaalsContact O-N 3.1Å | ||
| 278 | G | 47.6 | Very low | 54.3 | Low | 51 Ų | 51 | 157.1 Ų | 157.1 | 53% | 0.526 | 82% | 0.822 | S | S | . | * | trans | -65.2 | 104 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | V276 W280 | V276-G278 PolarHBondContact O-N 3Å; G278-W280 PolarHBondContact O-N 3.36Å | ||
| 279 | R | 55.4 | Low | 53.7 | Low | 237 Ų | 237 | 155.5 Ų | 155.5 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | trans | -73.3 | 100.4 | 162.3 | -179.5 | 178.8 | 176.7 | -152.4 | 1.1 | 107.3 | G277 | G277-R279 PolarHBondContact O-N 2.9Å; G277-R279 VanDerWaalsContact O-N 3.1Å | ||
| 280 | W | 47.8 | Very low | 53.3 | Low | 241 Ų | 241 | 151.1 Ų | 151.1 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -75.8 | 137.1 | 166.6 | -73.6 | 71.2 | 0 | 0 | 0 | 108.8 | G278 | G278-W280 PolarHBondContact O-N 3.36Š| ||
| 281 | K | 54.2 | Low | 52.8 | Low | 267 Ų | 267 | 159.3 Ų | 159.3 | 100% | 1.161 | 84% | 0.836 | S | S | * | * | trans | -92.5 | 0 | -176.4 | -133.6 | -178.3 | -175.2 | 176.7 | 0 | 109.8 |
Retrieved 281 of 281 residues in 185.1 ms
(Link to these results)