| 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 | 43.8 | Very low | 52.6 | Low | 247 Ų | 247 | 158 Ų | 158 | 100% | 1.217 | 87% | 0.868 | S | S | * | * | 0 | 140.9 | 0 | -78 | -172.1 | 170.3 | 0 | 0 | 108 | |||||
| 2 | A | 44.6 | Very low | 52.6 | Low | 99 Ų | 99 | 150.2 Ų | 150.2 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | trans | 75.9 | 83.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3 | A | 49.6 | Very low | 52.6 | Low | 105 Ų | 105 | 151.2 Ų | 151.2 | 87% | 0.868 | 85% | 0.847 | S | S | * | * | trans | -81.9 | 118 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G5 | A3-G5 PolarHBondContact O-N 3.06Š| ||
| 4 | L | 59.5 | Low | 52.7 | Low | 177 Ų | 177 | 149.3 Ų | 149.3 | 93% | 0.927 | 85% | 0.845 | S | S | * | * | trans | -83.7 | 94.4 | 175.5 | -70.1 | 169.4 | 0 | 0 | 0 | 109 | S6 | L4-S6 PolarHBondContact O-N 2.88Š| ||
| 5 | G | 48.5 | Very low | 52.2 | Low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | -68.1 | 115.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A3 H7 | A3-G5 PolarHBondContact O-N 3.06Å; G5-H7 PolarHBondContact O-N 3.04Å | ||
| 6 | S | 55.8 | Low | 52.4 | Low | 112 Ų | 112 | 151.6 Ų | 151.6 | 78% | 0.783 | 84% | 0.843 | S | S | * | * | trans | -68.9 | 123.2 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | L4 F8 | L4-S6 PolarHBondContact O-N 2.88Å; S6-F8 PolarHBondContact O-N 2.99Å | ||
| 7 | H | 55.1 | Low | 52.3 | Low | 166 Ų | 166 | 157.1 Ų | 157.1 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | trans | -80.4 | 92.5 | -168.1 | -143.8 | -26.1 | 0 | 0 | 0 | 109.8 | G5 R9 | G5-H7 PolarHBondContact O-N 3.04Å; H7-R9 PolarHBondContact O-N 3.08Å | ||
| 8 | F | 53.8 | Low | 52.4 | Low | 200 Ų | 200 | 156.9 Ų | 156.9 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | trans | -67.6 | 98.5 | 168.3 | -98.7 | -91 | 0 | 0 | 0 | 109.7 | S6 K10 | S6-F8 PolarHBondContact O-N 2.99Å; F8-K10 PolarHBondContact O-N 3.07Å; F8-K10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | R | 54.2 | Low | 52.4 | Low | 220 Ų | 220 | 157.3 Ų | 157.3 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | trans | -74.2 | 94.5 | 165.7 | -80.6 | -170.4 | -175.2 | -161.8 | 2.3 | 108.9 | H7 V11 | H7-R9 PolarHBondContact O-N 3.08Å; R9-V11 PolarHBondContact O-N 3.27Å; R9-V11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | K | 57.6 | Low | 52.4 | Low | 206 Ų | 206 | 156.3 Ų | 156.3 | 90% | 0.896 | 84% | 0.837 | S | S | * | * | trans | -71.2 | 97.3 | 168.7 | -150 | 172 | -173 | -179.9 | 0 | 107.7 | F8 G12 | F8-K10 PolarHBondContact O-N 3.07Å; F8-K10 VanDerWaalsContact O-N 3.1Å; K10-G12 PolarHBondContact O-N 3.15Å; K10-G12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | V | 55.8 | Low | 52.2 | Low | 131 Ų | 131 | 152.3 Ų | 152.3 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -73.8 | 99.1 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | R9 | R9-V11 PolarHBondContact O-N 3.27Å; R9-V11 VanDerWaalsContact O-N 3.15Å | ||
| 12 | G | 53.2 | Low | 52.3 | Low | 64 Ų | 64 | 150.2 Ų | 150.2 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | trans | -70.9 | 122 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K10 | K10-G12 PolarHBondContact O-N 3.15Å; K10-G12 VanDerWaalsContact O-N 3.11Å | ||
| 13 | M | 52 | Low | 52.6 | Low | 163 Ų | 163 | 154 Ų | 154 | 80% | 0.803 | 82% | 0.818 | S | S | * | * | trans | -75.1 | 122.9 | 166.7 | -78.9 | -77.9 | -54.6 | 0 | 0 | 108.6 | L15 | M13-L15 PolarHBondContact O-N 3.47Š| ||
| 14 | P | 54 | Low | 52.6 | Low | 125 Ų | 125 | 158.3 Ų | 158.3 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -72.3 | 107.2 | 174.2 | -9.8 | 25.4 | 0 | 0 | 0 | 109.7 | ||||
| 15 | L | 46.2 | Very low | 52.1 | Low | 159 Ų | 159 | 158.6 Ų | 158.6 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -89.7 | 116.2 | 156.1 | -101.5 | 112.8 | 0 | 0 | 0 | 106.2 | M13 | M13-L15 PolarHBondContact O-N 3.47Š| ||
| 16 | E | 55.2 | Low | 52.1 | Low | 176 Ų | 176 | 163.9 Ų | 163.9 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | 173.8 | 99.2 | 149.4 | -96.3 | 159.2 | -151.7 | 0 | 0 | 106.7 | ||||
| 17 | R | 50.2 | Low | 51.7 | Low | 246 Ų | 246 | 167.5 Ų | 167.5 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | trans | -103.4 | 99.4 | 154.1 | -92.8 | -172.8 | -175 | 141.9 | 2.1 | 105.7 | N19 | R17-N19 PolarHBondContact O-N 3.23Š| ||
| 18 | E | 54.2 | Low | 51.3 | Low | 154 Ų | 154 | 168.6 Ų | 168.6 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | trans | -55.4 | 114.5 | 161.5 | -68.5 | 168 | 143.5 | 0 | 0 | 107.3 | D20 | E18-D20 PolarHBondContact O-N 3.13Š| ||
| 19 | N | 51.4 | Low | 51 | Low | 163 Ų | 163 | 167.3 Ų | 167.3 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -83 | 95.9 | 165.5 | -95.9 | -17.5 | 0 | 0 | 0 | 106.1 | R17 G21 | R17-N19 PolarHBondContact O-N 3.23Å; N19-G21 PolarHBondContact O-N 2.93Å | ||
| 20 | D | 52.8 | Low | 51 | Low | 137 Ų | 137 | 165 Ų | 165 | 73% | 0.733 | 83% | 0.826 | S | S | * | * | trans | -60.1 | 128 | 172.1 | -65.9 | -42.6 | 0 | 0 | 0 | 110.2 | E18 K22 | E18-D20 PolarHBondContact O-N 3.13Å; D20-K22 PolarHBondContact O-N 3.29Å | ||
| 21 | G | 49.5 | Very low | 50.4 | Low | 73 Ų | 73 | 165.8 Ų | 165.8 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -56.9 | 128.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N19 | N19-G21 PolarHBondContact O-N 2.93Š| ||
| 22 | K | 46.1 | Very low | 50.3 | Low | 204 Ų | 204 | 164.4 Ų | 164.4 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -108.5 | 94.2 | 161.1 | -77.3 | -170.8 | 174.9 | -176 | 0 | 108 | D20 | D20-K22 PolarHBondContact O-N 3.29Š| ||
| 23 | E | 49.6 | Very low | 50.3 | Low | 179 Ų | 179 | 166.7 Ų | 166.7 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | 28.1 | 108.9 | 134.8 | -62.9 | 177.8 | 169.7 | 0 | 0 | 115.9 | E25 | E23-E25 PolarHBondContact O-N 3.31Å; E23-E25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | E | 50.3 | Low | 50.5 | Low | 195 Ų | 195 | 164.9 Ų | 164.9 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -59.5 | 99.5 | 162.8 | -63 | 174.4 | 156.9 | 0 | 0 | 108.7 | E26 | E24-E26 PolarHBondContact O-N 3.38Š| ||
| 25 | E | 49.6 | Very low | 50.5 | Low | 182 Ų | 182 | 163.1 Ų | 163.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -76.1 | 109.7 | 164.7 | -79.2 | -175.4 | 161.7 | 0 | 0 | 108.3 | E23 E27 | E23-E25 PolarHBondContact O-N 3.31Å; E23-E25 VanDerWaalsContact O-N 3.13Å; E25-E27 PolarHBondContact O-N 2.75Å | ||
| 26 | E | 47.8 | Very low | 50.8 | Low | 186 Ų | 186 | 164.1 Ų | 164.1 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -60.9 | 97.3 | 169.8 | -66.5 | 178.8 | 153.1 | 0 | 0 | 109.3 | E24 E28 | E24-E26 PolarHBondContact O-N 3.38Å; E26-E28 PolarHBondContact O-N 3.4Å | ||
| 27 | E | 48 | Very low | 50.4 | Low | 189 Ų | 189 | 157.9 Ų | 157.9 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -68.9 | 100.4 | 169.8 | -74.3 | -174.8 | 163.5 | 0 | 0 | 109.2 | E25 E29 | E25-E27 PolarHBondContact O-N 2.75Å; E27-E29 PolarHBondContact O-N 3.03Å | ||
| 28 | E | 46.9 | Very low | 50.3 | Low | 188 Ų | 188 | 154.7 Ų | 154.7 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -56.7 | 108 | 166.1 | -77.2 | -172.9 | 147.4 | 0 | 0 | 109.3 | E26 E30 | E26-E28 PolarHBondContact O-N 3.4Å; E28-E30 PolarHBondContact O-N 2.86Å | ||
| 29 | E | 47.1 | Very low | 50.5 | Low | 174 Ų | 174 | 152.2 Ų | 152.2 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -68.5 | 78.1 | 178.8 | -151.4 | -177 | -151.4 | 0 | 0 | 109.7 | E27 R31 | E27-E29 PolarHBondContact O-N 3.03Å; E29-R31 PolarHBondContact O-N 3.28Å | ||
| 30 | E | 53.6 | Low | 50.4 | Low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -64.4 | 98.9 | 172.5 | -165.9 | 178.5 | -168.3 | 0 | 0 | 108.3 | E28 V32 | E28-E30 PolarHBondContact O-N 2.86Å; E30-V32 PolarHBondContact O-N 2.74Å | ||
| 31 | R | 45.4 | Very low | 50.4 | Low | 223 Ų | 223 | 151.8 Ų | 151.8 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | -63.4 | 83.4 | 172.6 | -78.5 | -176.5 | 174.8 | 179.1 | -0.4 | 109.9 | E29 D33 | E29-R31 PolarHBondContact O-N 3.28Å; R31-D33 PolarHBondContact O-N 2.99Å | ||
| 32 | V | 53.8 | Low | 50.5 | Low | 101 Ų | 101 | 154.3 Ų | 154.3 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | trans | -65.6 | 113.1 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | E30 L34 | E30-V32 PolarHBondContact O-N 2.74Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.05Å | ||
| 33 | D | 51.7 | Low | 50.8 | Low | 112 Ų | 112 | 150.6 Ų | 150.6 | 60% | 0.599 | 73% | 0.731 | S | S | * | * | trans | -65.8 | 90 | 176.7 | -164.5 | -11.5 | 0 | 0 | 0 | 109.6 | R31 S35 | R31-D33 PolarHBondContact O-N 2.99Å; D33-S35 PolarHBondContact O-N 3.49Å; D33-S35 PolarHBondContact OD1-OG 3.11Å | ||
| 34 | L | 56.5 | Low | 51 | Low | 126 Ų | 126 | 146 Ų | 146 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -1.7 | -175.7 | -68.6 | 173.1 | 0 | 0 | 0 | 113.8 | V32 W38 | V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.05Å; L34-W38 PolarHBondContact O-NE1 3.19Å |
| 35 | S | 55.5 | Low | 51.3 | Low | 87 Ų | 87 | 138.6 Ų | 138.6 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -16.1 | -177 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | D33 | D33-S35 PolarHBondContact O-N 3.49Å; D33-S35 PolarHBondContact OD1-OG 3.11Å |
| 36 | K | 51.7 | Low | 51.4 | Low | 180 Ų | 180 | 134.9 Ų | 134.9 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -117.1 | 0.1 | -170.5 | -73.5 | 176.8 | -178.1 | 167.2 | 0 | 117 | ||
| 37 | G | 46.4 | Very low | 51.8 | Low | 45 Ų | 45 | 128.8 Ų | 128.8 | 46% | 0.464 | 65% | 0.651 | S | S | . | * | trans | -108.8 | -5.2 | -170 | 0 | 0 | 0 | 0 | 0 | 118.2 | S39 H40 | G37-S39 VanDerWaalsContact C-N 3.33Å; G37-S39 PolarHBondContact O-N 3.31Å; G37-H40 PolarHBondContact O-N 3.35Å | ||
| 38 | W | 47.6 | Very low | 52.2 | Low | 179 Ų | 179 | 121.4 Ų | 121.4 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.5 | -27.2 | -164.7 | -71.2 | 65.5 | 0 | 0 | 0 | 114.4 | L34 | L34-W38 PolarHBondContact O-NE1 3.19Å |
| 39 | S | 59.4 | Low | 52.3 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.8 | -25.2 | -176.2 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | G37 | G37-S39 VanDerWaalsContact C-N 3.33Å; G37-S39 PolarHBondContact O-N 3.31Å |
| 40 | H | 50.1 | Low | 52.6 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -92.9 | -30.7 | -179.4 | -157.4 | -32.5 | 0 | 0 | 0 | 112.4 | G37 E42 L43 T44 | G37-H40 PolarHBondContact O-N 3.35Å; H40-E42 PolarHBondContact O-N 2.94Å; H40-L43 PolarHBondContact O-N 3.4Å; H40-T44 PolarHBondContact ND1-OG1 2.79Å; H40-T44 PolarHBondContact O-N 3.36Å; H40-T44 PolarHBondContact O-OG1 3.38Å |
| 41 | F | 51.4 | Low | 52.7 | Low | 154 Ų | 154 | 118.4 Ų | 118.4 | 68% | 0.675 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.9 | -36.1 | -178.3 | -170.2 | -99.8 | 0 | 0 | 0 | 112.7 | L43 T44 A45 | F41-L43 VanDerWaalsContact C-N 3.33Å; F41-L43 PolarHBondContact O-N 3.22Å; F41-T44 PolarHBondContact O-N 2.92Å; F41-A45 HydrophobicContact CE1-CB 4.32Å; F41-A45 VanDerWaalsContact O-CB 3.31Å; F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 2.85Å |
| 42 | E | 51.8 | Low | 53.1 | Low | 125 Ų | 125 | 114.1 Ų | 114.1 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.6 | -37 | 179.7 | -72.6 | -173 | 164.1 | 0 | 0 | 112.8 | H40 I46 | H40-E42 PolarHBondContact O-N 2.94Å; E42-I46 VanDerWaalsContact O-CD1 3.31Å; E42-I46 WeakPolarHBondContact O-CD1 3.48Å; E42-I46 WeakPolarHBondContact O-CG1 3.43Å; E42-I46 PolarHBondContact O-N 3.5Å |
| 43 | L | 52.4 | Low | 53 | Low | 126 Ų | 126 | 112 Ų | 112 | 66% | 0.66 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -77.1 | -36 | -180 | -69.9 | 173.5 | 0 | 0 | 0 | 112.7 | H40 F41 I46 S47 | H40-L43 PolarHBondContact O-N 3.4Å; F41-L43 VanDerWaalsContact C-N 3.33Å; F41-L43 PolarHBondContact O-N 3.22Å; L43-I46 PolarHBondContact O-N 2.89Å; L43-S47 PolarHBondContact O-N 3.33Å; L43-S47 VanDerWaalsContact O-N 3.09Å |
| 44 | T | 54.9 | Low | 53.3 | Low | 83 Ų | 83 | 111.3 Ų | 111.3 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.6 | -36.7 | 177.4 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | H40 F41 I46 S47 G48 | H40-T44 PolarHBondContact ND1-OG1 2.79Å; H40-T44 PolarHBondContact O-N 3.36Å; H40-T44 PolarHBondContact O-OG1 3.38Å; F41-T44 PolarHBondContact O-N 2.92Å; T44-I46 VanDerWaalsContact C-N 3.34Å; T44-I46 PolarHBondContact O-N 3.42Å; T44-S47 PolarHBondContact O-N 3.43Å; T44-G48 PolarHBondContact O-N 2.85Å |
| 45 | A | 55.3 | Low | 53.4 | Low | 39 Ų | 39 | 114 Ų | 114 | 32% | 0.322 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.4 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F41 G48 M49 | F41-A45 HydrophobicContact CE1-CB 4.32Å; F41-A45 VanDerWaalsContact O-CB 3.31Å; F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 2.85Å; A45-G48 PolarHBondContact O-N 3.01Å; A45-M49 WeakPolarHBondContact O-CB 3.38Å; A45-M49 WeakPolarHBondContact O-CG 3.49Å; A45-M49 PolarHBondContact O-N 3.36Å |
| 46 | I | 53.2 | Low | 53.4 | Low | 104 Ų | 104 | 112.7 Ų | 112.7 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.8 | -43.8 | 176.6 | -66.6 | 166.3 | 0 | 0 | 0 | 111 | E42 L43 T44 G48 M49 E50 | E42-I46 VanDerWaalsContact O-CD1 3.31Å; E42-I46 WeakPolarHBondContact O-CD1 3.48Å; E42-I46 WeakPolarHBondContact O-CG1 3.43Å; E42-I46 PolarHBondContact O-N 3.5Å; L43-I46 PolarHBondContact O-N 2.89Å; T44-I46 VanDerWaalsContact C-N 3.34Å; T44-I46 PolarHBondContact O-N 3.42Å; I46-G48 PolarHBondContact O-N 2.84Å; I46-M49 PolarHBondContact O-N 2.91Å; I46-E50 PolarHBondContact O-N 3.48Å |
| 47 | S | 55.6 | Low | 53.9 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.6 | -35.2 | 177.5 | -178 | 0 | 0 | 0 | 0 | 113 | L43 T44 E50 | L43-S47 PolarHBondContact O-N 3.33Å; L43-S47 VanDerWaalsContact O-N 3.09Å; T44-S47 PolarHBondContact O-N 3.43Å; S47-E50 PolarHBondContact O-N 3.25Å |
| 48 | G | 55.5 | Low | 54.9 | Low | 34 Ų | 34 | 112 Ų | 112 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.6 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T44 A45 I46 E50 R51 M52 | T44-G48 PolarHBondContact O-N 2.85Å; A45-G48 PolarHBondContact O-N 3.01Å; I46-G48 PolarHBondContact O-N 2.84Å; G48-E50 VanDerWaalsContact C-N 3.34Å; G48-E50 PolarHBondContact O-N 3.38Å; G48-R51 PolarHBondContact O-N 2.9Å; G48-M52 PolarHBondContact O-N 3.05Å |
| 49 | M | 49.9 | Very low | 55.7 | Low | 112 Ų | 112 | 107.4 Ų | 107.4 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.8 | -41.4 | 174.9 | -78.5 | -176.8 | 74.5 | 0 | 0 | 111.5 | A45 I46 R51 M52 V53 | A45-M49 WeakPolarHBondContact O-CB 3.38Å; A45-M49 WeakPolarHBondContact O-CG 3.49Å; A45-M49 PolarHBondContact O-N 3.36Å; I46-M49 PolarHBondContact O-N 2.91Å; M49-R51 PolarHBondContact O-N 3.35Å; M49-M52 PolarHBondContact O-N 3Å; M49-V53 WeakPolarHBondContact O-CG2 3.33Å; M49-V53 PolarHBondContact O-N 3.43Å; M49-V53 VanDerWaalsContact O-N 3.13Å |
| 50 | E | 53.2 | Low | 55.9 | Low | 143 Ų | 143 | 107.2 Ų | 107.2 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55.8 | -34.6 | 176.9 | -84 | -172.8 | 159 | 0 | 0 | 113.3 | I46 S47 G48 V53 | I46-E50 PolarHBondContact O-N 3.48Å; S47-E50 PolarHBondContact O-N 3.25Å; G48-E50 VanDerWaalsContact C-N 3.34Å; G48-E50 PolarHBondContact O-N 3.38Å; E50-V53 PolarHBondContact O-N 3.32Å |
| 51 | R | 56.3 | Low | 56.6 | Low | 215 Ų | 215 | 104.7 Ų | 104.7 | 81% | 0.811 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -78.4 | -27.7 | 176.4 | -69 | -169.9 | -161.4 | 178.9 | 6.8 | 113.8 | G48 M49 V53 | G48-R51 PolarHBondContact O-N 2.9Å; M49-R51 PolarHBondContact O-N 3.35Å; R51-V53 VanDerWaalsContact C-N 3.28Å |
| 52 | M | 53.7 | Low | 57.3 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 65% | 0.65 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75 | -18.1 | 173 | -75.9 | -168.8 | -83.3 | 0 | 0 | 112.7 | G48 M49 A54 H55 V56 | G48-M52 PolarHBondContact O-N 3.05Å; M49-M52 PolarHBondContact O-N 3Å; M52-A54 PolarHBondContact O-N 3.31Å; M52-H55 PolarHBondContact O-N 3.02Å; M52-V56 WeakPolarHBondContact O-CG2 3Å |
| 53 | V | 51.4 | Low | 58 | Low | 57 Ų | 57 | 97.5 Ų | 97.5 | 35% | 0.345 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -62 | -24.9 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 113.5 | M49 E50 R51 H55 F61 | M49-V53 WeakPolarHBondContact O-CG2 3.33Å; M49-V53 PolarHBondContact O-N 3.43Å; M49-V53 VanDerWaalsContact O-N 3.13Å; E50-V53 PolarHBondContact O-N 3.32Å; R51-V53 VanDerWaalsContact C-N 3.28Å; V53-H55 PolarHBondContact O-N 3.46Å; V53-F61 HydrophobicContact CB-CE2 3.92Å; V53-F61 HydrophobicContact CB-CZ 4.3Å; V53-F61 HydrophobicContact CG1-CD2 4.05Å; V53-F61 HydrophobicContact CG1-CE2 3.31Å; V53-F61 HydrophobicContact CG1-CZ 3.7Å; V53-F61 HydrophobicContact CG2-CE2 3.47Å; V53-F61 VanDerWaalsContact CG2-CE2 3.47Å; V53-F61 HydrophobicContact CG2-CZ 3.58Å |
| 54 | A | 58.4 | Low | 58.7 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 80% | 0.802 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -63.8 | -18.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M52 | M52-A54 PolarHBondContact O-N 3.31Š|
| 55 | H | 58.1 | Low | 59.3 | Low | 183 Ų | 183 | 95.7 Ų | 95.7 | 85% | 0.847 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -127.1 | 2.9 | -175.9 | -137.7 | -55.6 | 0 | 0 | 0 | 115 | M52 V53 | M52-H55 PolarHBondContact O-N 3.02Å; V53-H55 PolarHBondContact O-N 3.46Å |
| 56 | V | 54.2 | Low | 60 | Low | 60 Ų | 60 | 97.9 Ų | 97.9 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -90.6 | 118.6 | 179.3 | 174.9 | 0 | 0 | 0 | 0 | 108.2 | M52 A58 F60 | M52-V56 WeakPolarHBondContact O-CG2 3Å; V56-A58 PolarHBondContact O-N 3.18Å; V56-F60 HydrophobicContact CG1-CB 3.55Å; V56-F60 HydrophobicContact CG1-CD1 3.37Å; V56-F60 HydrophobicContact CG1-CE1 4.21Å; V56-F60 HydrophobicContact CG1-CG 3.66Å |
| 57 | D | 63.4 | Low | 60.6 | Low | 126 Ų | 126 | 94.2 Ų | 94.2 | 67% | 0.674 | 52% | 0.517 | S | S | * | . | trans | -39.8 | 133.3 | 179.6 | -91.3 | -39.9 | 0 | 0 | 0 | 111.8 | S59 F60 | D57-S59 WeakPolarHBondContact CB-OG 3.49Å; D57-S59 PolarHBondContact O-N 2.91Å; D57-F60 WeakPolarHBondContact O-CB 3.45Å; D57-F60 PolarHBondContact O-N 2.9Å | ||
| 58 | A | 66.9 | Low | 61.1 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 69% | 0.686 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -52.7 | -22.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | V56 F61 A62 | V56-A58 PolarHBondContact O-N 3.18Å; A58-F61 PolarHBondContact O-N 2.93Å; A58-A62 PolarHBondContact O-N 3.44Å |
| 59 | S | 63.8 | Low | 61.7 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 58% | 0.58 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 173.4 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | D57 A62 M63 | D57-S59 WeakPolarHBondContact CB-OG 3.49Å; D57-S59 PolarHBondContact O-N 2.91Å; S59-A62 PolarHBondContact O-N 2.92Å; S59-M63 WeakPolarHBondContact O-CB 3.36Å; S59-M63 PolarHBondContact O-N 2.64Å |
| 60 | F | 64.3 | Low | 62.6 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.4 | -40.1 | 178.4 | -175.7 | -99.4 | 0 | 0 | 0 | 111.2 | V56 D57 M63 I64 | V56-F60 HydrophobicContact CG1-CB 3.55Å; V56-F60 HydrophobicContact CG1-CD1 3.37Å; V56-F60 HydrophobicContact CG1-CE1 4.21Å; V56-F60 HydrophobicContact CG1-CG 3.66Å; D57-F60 WeakPolarHBondContact O-CB 3.45Å; D57-F60 PolarHBondContact O-N 2.9Å; F60-M63 HydrophobicContact CD2-CE 4.24Å; F60-M63 HydrophobicContact CE2-CE 4.38Å; F60-M63 PolarHBondContact O-N 3.39Å; F60-I64 HydrophobicContact CD1-CD1 3.68Å; F60-I64 HydrophobicContact CD1-CG1 4.38Å; F60-I64 HydrophobicContact CE1-CD1 3.19Å; F60-I64 HydrophobicContact CE1-CG1 4.15Å; F60-I64 HydrophobicContact CZ-CD1 3.69Å; F60-I64 HydrophobicContact CZ-CG1 4.39Å; F60-I64 WeakPolarHBondContact O-CG1 3.36Å; F60-I64 PolarHBondContact O-N 3.4Å |
| 61 | F | 64.6 | Low | 63.1 | Low | 85 Ų | 85 | 99.8 Ų | 99.8 | 37% | 0.373 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 173.7 | -111.6 | -90.3 | 0 | 0 | 0 | 112.2 | V53 A58 M63 I64 M65 | V53-F61 HydrophobicContact CB-CE2 3.92Å; V53-F61 HydrophobicContact CB-CZ 4.3Å; V53-F61 HydrophobicContact CG1-CD2 4.05Å; V53-F61 HydrophobicContact CG1-CE2 3.31Å; V53-F61 HydrophobicContact CG1-CZ 3.7Å; V53-F61 HydrophobicContact CG2-CE2 3.47Å; V53-F61 VanDerWaalsContact CG2-CE2 3.47Å; V53-F61 HydrophobicContact CG2-CZ 3.58Å; A58-F61 PolarHBondContact O-N 2.93Å; F61-M63 VanDerWaalsContact C-N 3.31Å; F61-M63 PolarHBondContact O-N 3.38Å; F61-I64 PolarHBondContact O-N 3.47Å; F61-M65 WeakPolarHBondContact O-CB 3.42Å; F61-M65 WeakPolarHBondContact O-CG 3.31Å; F61-M65 PolarHBondContact O-N 2.88Å |
| 62 | A | 67.4 | Low | 63.5 | Low | 50 Ų | 50 | 92.9 Ų | 92.9 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A58 S59 M65 V66 | A58-A62 PolarHBondContact O-N 3.44Å; S59-A62 PolarHBondContact O-N 2.92Å; A62-M65 PolarHBondContact O-N 3.12Å; A62-V66 WeakPolarHBondContact O-CG2 3.17Å; A62-V66 PolarHBondContact O-N 2.97Å |
| 63 | M | 65.1 | Low | 64.1 | Low | 78 Ų | 78 | 96.5 Ų | 96.5 | 38% | 0.384 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 177.7 | -168.7 | 177.5 | 75.2 | 0 | 0 | 112.2 | S59 F60 F61 M65 V66 D67 | S59-M63 WeakPolarHBondContact O-CB 3.36Å; S59-M63 PolarHBondContact O-N 2.64Å; F60-M63 HydrophobicContact CD2-CE 4.24Å; F60-M63 HydrophobicContact CE2-CE 4.38Å; F60-M63 PolarHBondContact O-N 3.39Å; F61-M63 VanDerWaalsContact C-N 3.31Å; F61-M63 PolarHBondContact O-N 3.38Å; M63-M65 VanDerWaalsContact C-N 3.28Å; M63-M65 PolarHBondContact O-N 2.98Å; M63-V66 PolarHBondContact O-N 3.47Å; M63-D67 PolarHBondContact O-N 3.14Å |
| 64 | I | 66.8 | Low | 64.8 | Low | 55 Ų | 55 | 99.9 Ų | 99.9 | 28% | 0.282 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 175.6 | -71.4 | 179.1 | 0 | 0 | 0 | 110.9 | F60 F61 D67 R68 | F60-I64 HydrophobicContact CD1-CD1 3.68Å; F60-I64 HydrophobicContact CD1-CG1 4.38Å; F60-I64 HydrophobicContact CE1-CD1 3.19Å; F60-I64 HydrophobicContact CE1-CG1 4.15Å; F60-I64 HydrophobicContact CZ-CD1 3.69Å; F60-I64 HydrophobicContact CZ-CG1 4.39Å; F60-I64 WeakPolarHBondContact O-CG1 3.36Å; F60-I64 PolarHBondContact O-N 3.4Å; F61-I64 PolarHBondContact O-N 3.47Å; I64-D67 PolarHBondContact O-N 3.4Å; I64-R68 HydrophobicContact CG2-CG 4.48Å; I64-R68 WeakPolarHBondContact O-CB 3.45Å; I64-R68 WeakPolarHBondContact O-CG 3.38Å; I64-R68 PolarHBondContact O-N 2.9Å |
| 65 | M | 69.2 | Low | 65 | Low | 116 Ų | 116 | 97.1 Ų | 97.1 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 178.3 | -77.8 | -159.8 | -85.2 | 0 | 0 | 112.3 | F61 A62 M63 D67 R68 F69 | F61-M65 WeakPolarHBondContact O-CB 3.42Å; F61-M65 WeakPolarHBondContact O-CG 3.31Å; F61-M65 PolarHBondContact O-N 2.88Å; A62-M65 PolarHBondContact O-N 3.12Å; M63-M65 VanDerWaalsContact C-N 3.28Å; M63-M65 PolarHBondContact O-N 2.98Å; M65-D67 VanDerWaalsContact C-N 3.34Å; M65-R68 PolarHBondContact O-N 2.97Å; M65-F69 WeakPolarHBondContact O-CB 3.37Å; M65-F69 PolarHBondContact O-N 3.24Å |
| 66 | V | 68.4 | Low | 65.3 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | A62 M63 F69 L70 | A62-V66 WeakPolarHBondContact O-CG2 3.17Å; A62-V66 PolarHBondContact O-N 2.97Å; M63-V66 PolarHBondContact O-N 3.47Å; V66-F69 PolarHBondContact O-N 3.3Å; V66-L70 HydrophobicContact CG1-CD1 3.93Å; V66-L70 WeakPolarHBondContact O-CB 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.31Å; V66-L70 PolarHBondContact O-N 3.44Å |
| 67 | D | 67.6 | Low | 65.8 | Low | 27 Ų | 27 | 95.5 Ų | 95.5 | 14% | 0.144 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 177.7 | -84.7 | -18.4 | 0 | 0 | 0 | 112.3 | M63 I64 M65 F69 F71 F86 R93 | M63-D67 PolarHBondContact O-N 3.14Å; I64-D67 PolarHBondContact O-N 3.4Å; M65-D67 VanDerWaalsContact C-N 3.34Å; D67-F69 VanDerWaalsContact C-N 3.33Å; D67-F69 PolarHBondContact O-N 2.93Å; D67-F71 VanDerWaalsContact O-CB 3.28Å; D67-F71 WeakPolarHBondContact O-CB 3.24Å; D67-F71 PolarHBondContact O-N 2.86Å; D67-F86 HydrophobicContact CB-CE2 4.45Å; D67-F86 HydrophobicContact CB-CZ 4.48Å; D67-R93 IonicContact OD1-CZ 2.81Å; D67-R93 IonicContact OD1-NH1 2.86Å; D67-R93 PolarHBondContact OD1-NH1 2.97Å; D67-R93 IonicContact OD1-NH2 3.67Å; D67-R93 IonicContact OD2-NH1 2.72Å; D67-R93 PolarHBondContact OD2-NH1 3.34Å |
| 68 | R | 64.5 | Low | 65.9 | Low | 182 Ų | 182 | 94.8 Ų | 94.8 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -40.6 | 172.3 | -79.2 | -177 | 109.8 | 149.1 | 4.3 | 111.9 | I64 M65 F71 A72 | I64-R68 HydrophobicContact CG2-CG 4.48Å; I64-R68 WeakPolarHBondContact O-CB 3.45Å; I64-R68 WeakPolarHBondContact O-CG 3.38Å; I64-R68 PolarHBondContact O-N 2.9Å; M65-R68 PolarHBondContact O-N 2.97Å; R68-F71 PolarHBondContact O-N 3.46Å; R68-A72 WeakPolarHBondContact O-CB 3.41Å; R68-A72 PolarHBondContact O-N 3.13Å |
| 69 | F | 68.5 | Low | 66.5 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.7 | -40.7 | -178.7 | -151.3 | -85.7 | 0 | 0 | 0 | 111.8 | M65 V66 D67 R73 | M65-F69 WeakPolarHBondContact O-CB 3.37Å; M65-F69 PolarHBondContact O-N 3.24Å; V66-F69 PolarHBondContact O-N 3.3Å; D67-F69 VanDerWaalsContact C-N 3.33Å; D67-F69 PolarHBondContact O-N 2.93Å; F69-R73 PolarHBondContact O-N 3.4Å |
| 70 | L | 68.1 | Low | 67.2 | Low | 87 Ų | 87 | 93 Ų | 93 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 173 | -75.6 | 168.3 | 0 | 0 | 0 | 111.3 | V66 R73 I74 | V66-L70 HydrophobicContact CG1-CD1 3.93Å; V66-L70 WeakPolarHBondContact O-CB 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.31Å; V66-L70 PolarHBondContact O-N 3.44Å; L70-R73 PolarHBondContact O-N 2.89Å; L70-I74 VanDerWaalsContact O-CG1 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.27Å; L70-I74 PolarHBondContact O-N 3.46Å |
| 71 | F | 64 | Low | 67.9 | Low | 48 Ų | 48 | 95.5 Ų | 95.5 | 21% | 0.211 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.5 | -171.7 | -98.6 | 0 | 0 | 0 | 112.2 | D67 R68 R73 I74 V75 F86 | D67-F71 VanDerWaalsContact O-CB 3.28Å; D67-F71 WeakPolarHBondContact O-CB 3.24Å; D67-F71 PolarHBondContact O-N 2.86Å; R68-F71 PolarHBondContact O-N 3.46Å; F71-R73 PolarHBondContact O-N 3.43Å; F71-I74 PolarHBondContact O-N 3.39Å; F71-I74 VanDerWaalsContact O-N 3.12Å; F71-V75 HydrophobicContact CD2-CB 4.47Å; F71-V75 HydrophobicContact CD2-CG2 4.07Å; F71-V75 HydrophobicContact CE1-CB 4.08Å; F71-V75 HydrophobicContact CE1-CG1 4.4Å; F71-V75 HydrophobicContact CE2-CB 3.98Å; F71-V75 HydrophobicContact CE2-CG1 4.5Å; F71-V75 HydrophobicContact CE2-CG2 3.57Å; F71-V75 HydrophobicContact CZ-CB 3.78Å; F71-V75 HydrophobicContact CZ-CG1 3.97Å; F71-V75 HydrophobicContact CZ-CG2 3.88Å; F71-V75 PolarHBondContact O-N 2.89Å; F71-F86 HydrophobicContact CB-CD2 4.2Å; F71-F86 HydrophobicContact CB-CE2 4.07Å; F71-F86 HydrophobicContact CD2-CB 4Å; F71-F86 AromaticContact CD2-CD2 3.4Å; F71-F86 HydrophobicContact CD2-CD2 3.4Å; F71-F86 VanDerWaalsContact CD2-CD2 3.4Å; F71-F86 HydrophobicContact CD2-CE2 4.14Å; F71-F86 AromaticContact CD2-CG 3.93Å; F71-F86 HydrophobicContact CD2-CG 3.93Å; F71-F86 HydrophobicContact CE2-CB 3.6Å; F71-F86 AromaticContact CE2-CD2 3.95Å; F71-F86 HydrophobicContact CE2-CD2 3.95Å; F71-F86 HydrophobicContact CE2-CG 4.03Å; F71-F86 AromaticContact CG-CD2 3.9Å; F71-F86 HydrophobicContact CG-CD2 3.9Å; F71-F86 HydrophobicContact CG-CE2 4.23Å; F71-F86 HydrophobicContact CG-CG 4.45Å; F71-F86 HydrophobicContact CZ-CB 4.14Å |
| 72 | A | 65.8 | Low | 68.7 | Low | 70 Ų | 70 | 91.6 Ų | 91.6 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.2 | -29.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R68 | R68-A72 WeakPolarHBondContact O-CB 3.41Å; R68-A72 PolarHBondContact O-N 3.13Å |
| 73 | R | 65.7 | Low | 69.3 | Low | 208 Ų | 208 | 92 Ų | 92 | 79% | 0.785 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -80.9 | -33.1 | 175.8 | -109.1 | -171.4 | 165.7 | 166.9 | -1.7 | 114.3 | F69 L70 F71 | F69-R73 PolarHBondContact O-N 3.4Å; L70-R73 PolarHBondContact O-N 2.89Å; F71-R73 PolarHBondContact O-N 3.43Å |
| 74 | I | 67.1 | Low | 70 | Confident | 129 Ų | 129 | 97.1 Ų | 97.1 | 66% | 0.662 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -89.4 | -34.3 | -174.3 | -65.3 | 166.7 | 0 | 0 | 0 | 111.5 | L70 F71 P76 | L70-I74 VanDerWaalsContact O-CG1 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.27Å; L70-I74 PolarHBondContact O-N 3.46Å; F71-I74 PolarHBondContact O-N 3.39Å; F71-I74 VanDerWaalsContact O-N 3.12Å; I74-P76 VanDerWaalsContact O-CD 3.26Å; I74-P76 WeakPolarHBondContact O-CD 3.43Å |
| 75 | V | 62.5 | Low | 70.8 | Confident | 38 Ų | 38 | 100.2 Ų | 100.2 | 23% | 0.23 | 52% | 0.524 | C | S | . | . | trans | -119.2 | 84.1 | -175.7 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | F71 T77 | F71-V75 HydrophobicContact CD2-CB 4.47Å; F71-V75 HydrophobicContact CD2-CG2 4.07Å; F71-V75 HydrophobicContact CE1-CB 4.08Å; F71-V75 HydrophobicContact CE1-CG1 4.4Å; F71-V75 HydrophobicContact CE2-CB 3.98Å; F71-V75 HydrophobicContact CE2-CG1 4.5Å; F71-V75 HydrophobicContact CE2-CG2 3.57Å; F71-V75 HydrophobicContact CZ-CB 3.78Å; F71-V75 HydrophobicContact CZ-CG1 3.97Å; F71-V75 HydrophobicContact CZ-CG2 3.88Å; F71-V75 PolarHBondContact O-N 2.89Å; V75-T77 VanDerWaalsContact CG1-O 3.25Å; V75-T77 WeakPolarHBondContact CG1-O 3.46Å; V75-T77 PolarHBondContact O-N 3.25Å | ||
| 76 | P | 64.1 | Low | 71.4 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 74% | 0.74 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -67.7 | -5.1 | -174.7 | 23.5 | -32 | 0 | 0 | 0 | 114.3 | I74 | I74-P76 VanDerWaalsContact O-CD 3.26Å; I74-P76 WeakPolarHBondContact O-CD 3.43Å |
| 77 | T | 65.1 | Low | 72.3 | Confident | 96 Ų | 96 | 98 Ų | 98 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -136.8 | 125 | 174 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | V75 S79 | V75-T77 VanDerWaalsContact CG1-O 3.25Å; V75-T77 WeakPolarHBondContact CG1-O 3.46Å; V75-T77 PolarHBondContact O-N 3.25Å; T77-S79 PolarHBondContact O-N 3.46Å |
| 78 | P | 65.5 | Low | 73.3 | Confident | 111 Ų | 111 | 101.6 Ų | 101.6 | 72% | 0.721 | 53% | 0.526 | S | S | * | . | trans | -70.6 | 76.2 | 175.8 | 30.5 | -34.4 | 0 | 0 | 0 | 109.2 | ||||
| 79 | S | 78.5 | Confident | 74.3 | Confident | 51 Ų | 51 | 95 Ų | 95 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | trans | -72.6 | 145.9 | 164.3 | 76.2 | 0 | 0 | 0 | 0 | 107.8 | T77 Q81 G82 C83 | T77-S79 PolarHBondContact O-N 3.46Å; S79-Q81 PolarHBondContact O-N 3.38Å; S79-G82 WeakPolarHBondContact O-CA 3.34Å; S79-G82 PolarHBondContact O-N 2.95Å; S79-G82 PolarHBondContact OG-N 3.01Å; S79-G82 VanDerWaalsContact OG-N 3.12Å; S79-C83 PolarHBondContact O-N 3.04Å | ||
| 80 | A | 78.3 | Confident | 75.2 | Confident | 77 Ų | 77 | 91.7 Ų | 91.7 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -54 | -28 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R84 | A80-R84 WeakPolarHBondContact O-CG 3.17Å; A80-R84 PolarHBondContact O-N 3.33Å |
| 81 | Q | 80.4 | Confident | 76.3 | Confident | 150 Ų | 150 | 91.4 Ų | 91.4 | 70% | 0.701 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.3 | -40.8 | 172.6 | -68.8 | -179.1 | -6.1 | 0 | 0 | 112.5 | S79 C83 R84 L85 | S79-Q81 PolarHBondContact O-N 3.38Å; Q81-C83 PolarHBondContact O-N 3.28Å; Q81-R84 PolarHBondContact O-N 3.38Å; Q81-L85 WeakPolarHBondContact O-CG 3.36Å; Q81-L85 PolarHBondContact O-N 3.34Å |
| 82 | G | 79.6 | Confident | 77.5 | Confident | 4 Ų | 4 | 92.2 Ų | 92.2 | 4% | 0.041 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S79 R84 L85 F86 | S79-G82 WeakPolarHBondContact O-CA 3.34Å; S79-G82 PolarHBondContact O-N 2.95Å; S79-G82 PolarHBondContact OG-N 3.01Å; S79-G82 VanDerWaalsContact OG-N 3.12Å; G82-R84 PolarHBondContact O-N 3.32Å; G82-L85 PolarHBondContact O-N 3.26Å; G82-F86 PolarHBondContact O-N 3Å |
| 83 | C | 80 | Confident | 78.6 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 176 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | S79 Q81 F86 I87 | S79-C83 PolarHBondContact O-N 3.04Å; Q81-C83 PolarHBondContact O-N 3.28Å; C83-F86 PolarHBondContact O-N 3.45Å; C83-I87 WeakPolarHBondContact O-CG1 3.45Å; C83-I87 PolarHBondContact O-N 2.9Å |
| 84 | R | 81.6 | Confident | 79.7 | Confident | 185 Ų | 185 | 93.6 Ų | 93.6 | 70% | 0.698 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 175.7 | -74.7 | 178.2 | 179.1 | -170.7 | -0.5 | 112.1 | A80 Q81 G82 F86 I87 L88 | A80-R84 WeakPolarHBondContact O-CG 3.17Å; A80-R84 PolarHBondContact O-N 3.33Å; Q81-R84 PolarHBondContact O-N 3.38Å; G82-R84 PolarHBondContact O-N 3.32Å; R84-F86 VanDerWaalsContact C-N 3.31Å; R84-F86 PolarHBondContact O-N 3.43Å; R84-I87 PolarHBondContact O-N 2.84Å; R84-L88 WeakPolarHBondContact O-CB 3.42Å; R84-L88 WeakPolarHBondContact O-CG 3.3Å; R84-L88 PolarHBondContact O-N 3.34Å |
| 85 | L | 83.5 | Confident | 80.9 | Confident | 120 Ų | 120 | 92.7 Ų | 92.7 | 63% | 0.628 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.5 | -37.3 | 177 | -70.7 | 174.4 | 0 | 0 | 0 | 112 | Q81 G82 L88 A89 | Q81-L85 WeakPolarHBondContact O-CG 3.36Å; Q81-L85 PolarHBondContact O-N 3.34Å; G82-L85 PolarHBondContact O-N 3.26Å; L85-L88 PolarHBondContact O-N 3.49Å; L85-A89 WeakPolarHBondContact O-CB 3.37Å; L85-A89 PolarHBondContact O-N 3.02Å |
| 86 | F | 81.7 | Confident | 82.2 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 25% | 0.254 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -47.1 | 175.8 | -175.2 | -109.5 | 0 | 0 | 0 | 112.5 | D67 F71 G82 C83 R84 L88 A89 I90 | D67-F86 HydrophobicContact CB-CE2 4.45Å; D67-F86 HydrophobicContact CB-CZ 4.48Å; F71-F86 HydrophobicContact CB-CD2 4.2Å; F71-F86 HydrophobicContact CB-CE2 4.07Å; F71-F86 HydrophobicContact CD2-CB 4Å; F71-F86 AromaticContact CD2-CD2 3.4Å; F71-F86 HydrophobicContact CD2-CD2 3.4Å; F71-F86 VanDerWaalsContact CD2-CD2 3.4Å; F71-F86 HydrophobicContact CD2-CE2 4.14Å; F71-F86 AromaticContact CD2-CG 3.93Å; F71-F86 HydrophobicContact CD2-CG 3.93Å; F71-F86 HydrophobicContact CE2-CB 3.6Å; F71-F86 AromaticContact CE2-CD2 3.95Å; F71-F86 HydrophobicContact CE2-CD2 3.95Å; F71-F86 HydrophobicContact CE2-CG 4.03Å; F71-F86 AromaticContact CG-CD2 3.9Å; F71-F86 HydrophobicContact CG-CD2 3.9Å; F71-F86 HydrophobicContact CG-CE2 4.23Å; F71-F86 HydrophobicContact CG-CG 4.45Å; F71-F86 HydrophobicContact CZ-CB 4.14Å; G82-F86 PolarHBondContact O-N 3Å; C83-F86 PolarHBondContact O-N 3.45Å; R84-F86 VanDerWaalsContact C-N 3.31Å; R84-F86 PolarHBondContact O-N 3.43Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.25Å; F86-A89 WeakPolarHBondContact O-CB 3.4Å; F86-A89 PolarHBondContact O-N 3.26Å; F86-I90 HydrophobicContact CD1-CD1 3.8Å; F86-I90 HydrophobicContact CE1-CD1 3.3Å; F86-I90 HydrophobicContact CE1-CG1 4.33Å; F86-I90 HydrophobicContact CE2-CD1 4.36Å; F86-I90 HydrophobicContact CZ-CD1 3.63Å; F86-I90 HydrophobicContact CZ-CG1 4.33Å; F86-I90 PolarHBondContact O-N 3.38Å |
| 87 | I | 86.8 | Confident | 83.5 | Confident | 98 Ų | 98 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 176.8 | -67.7 | 167.6 | 0 | 0 | 0 | 110.2 | C83 R84 A89 I90 I91 | C83-I87 WeakPolarHBondContact O-CG1 3.45Å; C83-I87 PolarHBondContact O-N 2.9Å; R84-I87 PolarHBondContact O-N 2.84Å; I87-A89 VanDerWaalsContact C-N 3.34Å; I87-A89 PolarHBondContact O-N 3.36Å; I87-I90 PolarHBondContact O-N 2.93Å; I87-I91 HydrophobicContact CG2-CD1 3.78Å; I87-I91 HydrophobicContact CG2-CG1 4.42Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 3.47Å |
| 88 | L | 87.4 | Confident | 84.7 | Confident | 102 Ų | 102 | 99.8 Ų | 99.8 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 175.1 | -73.4 | 172.7 | 0 | 0 | 0 | 112 | R84 L85 F86 I90 I91 V92 | R84-L88 WeakPolarHBondContact O-CB 3.42Å; R84-L88 WeakPolarHBondContact O-CG 3.3Å; R84-L88 PolarHBondContact O-N 3.34Å; L85-L88 PolarHBondContact O-N 3.49Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.25Å; L88-I90 VanDerWaalsContact C-N 3.35Å; L88-I90 PolarHBondContact O-N 2.9Å; L88-I91 PolarHBondContact O-N 2.82Å; L88-V92 WeakPolarHBondContact O-CB 3.42Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 3.34Å |
| 89 | A | 86.6 | Confident | 86 | Confident | 44 Ų | 44 | 98.8 Ų | 98.8 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L85 F86 I87 R93 | L85-A89 WeakPolarHBondContact O-CB 3.37Å; L85-A89 PolarHBondContact O-N 3.02Å; F86-A89 WeakPolarHBondContact O-CB 3.4Å; F86-A89 PolarHBondContact O-N 3.26Å; I87-A89 VanDerWaalsContact C-N 3.34Å; I87-A89 PolarHBondContact O-N 3.36Å; A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.31Å; A89-R93 WeakPolarHBondContact O-CG 3.32Å; A89-R93 PolarHBondContact O-N 3.04Å |
| 90 | I | 87.3 | Confident | 86.6 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 40% | 0.395 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 174.7 | -69.2 | 172.1 | 0 | 0 | 0 | 110.8 | F86 I87 L88 V92 R93 R94 | F86-I90 HydrophobicContact CD1-CD1 3.8Å; F86-I90 HydrophobicContact CE1-CD1 3.3Å; F86-I90 HydrophobicContact CE1-CG1 4.33Å; F86-I90 HydrophobicContact CE2-CD1 4.36Å; F86-I90 HydrophobicContact CZ-CD1 3.63Å; F86-I90 HydrophobicContact CZ-CG1 4.33Å; F86-I90 PolarHBondContact O-N 3.38Å; I87-I90 PolarHBondContact O-N 2.93Å; L88-I90 VanDerWaalsContact C-N 3.35Å; L88-I90 PolarHBondContact O-N 2.9Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.15Å; I90-R93 PolarHBondContact O-N 3.35Å; I90-R94 WeakPolarHBondContact O-CB 3.32Å; I90-R94 PolarHBondContact O-N 3.44Å |
| 91 | I | 91.5 | Very high | 87.3 | Confident | 81 Ų | 81 | 102.7 Ų | 102.7 | 42% | 0.415 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 180 | -68.1 | 168 | 0 | 0 | 0 | 110.1 | I87 L88 R94 Q95 | I87-I91 HydrophobicContact CG2-CD1 3.78Å; I87-I91 HydrophobicContact CG2-CG1 4.42Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 3.47Å; L88-I91 PolarHBondContact O-N 2.82Å; I91-R94 PolarHBondContact O-N 2.84Å; I91-Q95 WeakPolarHBondContact O-CG 3.26Å; I91-Q95 PolarHBondContact O-N 2.81Å |
| 92 | V | 89.3 | Confident | 88 | Confident | 64 Ų | 64 | 102 Ų | 102 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 178.4 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | L88 I90 R94 Q95 W96 | L88-V92 WeakPolarHBondContact O-CB 3.42Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 3.34Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.15Å; V92-R94 VanDerWaalsContact C-N 3.28Å; V92-R94 PolarHBondContact O-N 2.95Å; V92-Q95 WeakPolarHBondContact O-CB 3.3Å; V92-Q95 PolarHBondContact O-N 3.31Å; V92-Q95 VanDerWaalsContact O-N 3.16Å; V92-W96 PolarHBondContact O-N 2.9Å |
| 93 | R | 88.4 | Confident | 88.7 | Confident | 139 Ų | 139 | 104 Ų | 104 | 53% | 0.525 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 177 | -79 | -180 | -177.8 | 175.3 | 0.1 | 113.2 | D67 A89 I90 W96 R97 | D67-R93 IonicContact OD1-CZ 2.81Å; D67-R93 IonicContact OD1-NH1 2.86Å; D67-R93 PolarHBondContact OD1-NH1 2.97Å; D67-R93 IonicContact OD1-NH2 3.67Å; D67-R93 IonicContact OD2-NH1 2.72Å; D67-R93 PolarHBondContact OD2-NH1 3.34Å; A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.31Å; A89-R93 WeakPolarHBondContact O-CG 3.32Å; A89-R93 PolarHBondContact O-N 3.04Å; I90-R93 PolarHBondContact O-N 3.35Å; R93-W96 PolarHBondContact O-N 3.03Å; R93-R97 PolarHBondContact O-N 2.71Å |
| 94 | R | 89.6 | Confident | 89.4 | Confident | 168 Ų | 168 | 105.8 Ų | 105.8 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -48.1 | 175.5 | 179 | 178.9 | 171.1 | 177.9 | 0.7 | 110.7 | I90 I91 V92 W96 R97 E98 | I90-R94 WeakPolarHBondContact O-CB 3.32Å; I90-R94 PolarHBondContact O-N 3.44Å; I91-R94 PolarHBondContact O-N 2.84Å; V92-R94 VanDerWaalsContact C-N 3.28Å; V92-R94 PolarHBondContact O-N 2.95Å; R94-W96 VanDerWaalsContact C-N 3.33Å; R94-W96 PolarHBondContact O-N 3.4Å; R94-R97 PolarHBondContact O-N 3.12Å; R94-E98 WeakPolarHBondContact CG-OE1 3.48Å; R94-E98 IonicContact CZ-OE1 3.63Å; R94-E98 IonicContact NE-OE1 3.98Å; R94-E98 PolarHBondContact NE-OE1 3.13Å; R94-E98 IonicContact NH2-OE1 3.62Å; R94-E98 PolarHBondContact NH2-OE1 2.98Å; R94-E98 WeakPolarHBondContact O-CG 3.32Å; R94-E98 PolarHBondContact O-N 2.71Å |
| 95 | Q | 90.4 | Very high | 90.1 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 175.7 | -72.8 | 179.5 | -25.2 | 0 | 0 | 111.9 | I91 V92 R97 E98 V99 | I91-Q95 WeakPolarHBondContact O-CG 3.26Å; I91-Q95 PolarHBondContact O-N 2.81Å; V92-Q95 WeakPolarHBondContact O-CB 3.3Å; V92-Q95 PolarHBondContact O-N 3.31Å; V92-Q95 VanDerWaalsContact O-N 3.16Å; Q95-R97 VanDerWaalsContact C-N 3.35Å; Q95-R97 PolarHBondContact O-N 2.88Å; Q95-E98 PolarHBondContact O-N 3.46Å; Q95-V99 VanDerWaalsContact O-CG2 3.31Å; Q95-V99 WeakPolarHBondContact O-CG2 3.4Å; Q95-V99 PolarHBondContact O-N 3.45Å |
| 96 | W | 90 | Very high | 90.7 | Very high | 163 Ų | 163 | 99.1 Ų | 99.1 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | 175.2 | -81 | 103.1 | 0 | 0 | 0 | 112.1 | V92 R93 R94 V99 E100 | V92-W96 PolarHBondContact O-N 2.9Å; R93-W96 PolarHBondContact O-N 3.03Å; R94-W96 VanDerWaalsContact C-N 3.33Å; R94-W96 PolarHBondContact O-N 3.4Å; W96-V99 PolarHBondContact O-N 3.19Å; W96-E100 WeakPolarHBondContact O-CB 3.44Å; W96-E100 WeakPolarHBondContact O-CG 3.36Å; W96-E100 PolarHBondContact O-N 3.42Å |
| 97 | R | 91.5 | Very high | 91.5 | Very high | 138 Ų | 138 | 103.1 Ų | 103.1 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.4 | -170.5 | -176.4 | -59.4 | -117.2 | 0.7 | 111.9 | R93 R94 Q95 V99 E100 D101 | R93-R97 PolarHBondContact O-N 2.71Å; R94-R97 PolarHBondContact O-N 3.12Å; Q95-R97 VanDerWaalsContact C-N 3.35Å; Q95-R97 PolarHBondContact O-N 2.88Å; R97-V99 VanDerWaalsContact C-N 3.28Å; R97-V99 PolarHBondContact O-N 3.49Å; R97-E100 PolarHBondContact O-N 3.17Å; R97-D101 WeakPolarHBondContact O-CB 3.47Å; R97-D101 VanDerWaalsContact O-CG 3.26Å; R97-D101 PolarHBondContact O-N 3.34Å |
| 98 | E | 91.5 | Very high | 92 | Very high | 96 Ų | 96 | 103.6 Ų | 103.6 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 176.6 | -72.4 | 170.4 | -175 | 0 | 0 | 111.4 | R94 Q95 F102 | R94-E98 WeakPolarHBondContact CG-OE1 3.48Å; R94-E98 IonicContact CZ-OE1 3.63Å; R94-E98 IonicContact NE-OE1 3.98Å; R94-E98 PolarHBondContact NE-OE1 3.13Å; R94-E98 IonicContact NH2-OE1 3.62Å; R94-E98 PolarHBondContact NH2-OE1 2.98Å; R94-E98 WeakPolarHBondContact O-CG 3.32Å; R94-E98 PolarHBondContact O-N 2.71Å; Q95-E98 PolarHBondContact O-N 3.46Å; E98-F102 VanDerWaalsContact O-CB 3.23Å; E98-F102 WeakPolarHBondContact O-CB 3.49Å; E98-F102 PolarHBondContact O-N 3.22Å |
| 99 | V | 91.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 175 | 171.9 | 0 | 0 | 0 | 0 | 112 | Q95 W96 R97 F102 S103 | Q95-V99 VanDerWaalsContact O-CG2 3.31Å; Q95-V99 WeakPolarHBondContact O-CG2 3.4Å; Q95-V99 PolarHBondContact O-N 3.45Å; W96-V99 PolarHBondContact O-N 3.19Å; R97-V99 VanDerWaalsContact C-N 3.28Å; R97-V99 PolarHBondContact O-N 3.49Å; V99-F102 PolarHBondContact O-N 3.04Å; V99-S103 WeakPolarHBondContact O-CB 3.5Å; V99-S103 PolarHBondContact O-N 3.47Å |
| 100 | E | 91.5 | Very high | 93 | Very high | 117 Ų | 117 | 108.6 Ų | 108.6 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.6 | -76.1 | 174.6 | 178.5 | 0 | 0 | 111.1 | W96 R97 F102 S103 L104 | W96-E100 WeakPolarHBondContact O-CB 3.44Å; W96-E100 WeakPolarHBondContact O-CG 3.36Å; W96-E100 PolarHBondContact O-N 3.42Å; R97-E100 PolarHBondContact O-N 3.17Å; E100-F102 PolarHBondContact O-N 3.5Å; E100-S103 PolarHBondContact O-N 3.07Å; E100-S103 PolarHBondContact O-OG 2.91Å; E100-L104 PolarHBondContact O-N 3.07Å |
| 101 | D | 94 | Very high | 93.5 | Very high | 93 Ų | 93 | 109.7 Ų | 109.7 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 177.8 | -72.4 | -19.4 | 0 | 0 | 0 | 111.1 | R97 L104 A105 | R97-D101 WeakPolarHBondContact O-CB 3.47Å; R97-D101 VanDerWaalsContact O-CG 3.26Å; R97-D101 PolarHBondContact O-N 3.34Å; D101-L104 PolarHBondContact O-N 3.3Å; D101-A105 WeakPolarHBondContact O-CB 3.4Å; D101-A105 PolarHBondContact O-N 3.02Å |
| 102 | F | 94.4 | Very high | 93.8 | Very high | 137 Ų | 137 | 111.4 Ų | 111.4 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.2 | -46 | 173.8 | 178.1 | -96.7 | 0 | 0 | 0 | 111.7 | E98 V99 E100 L104 A105 Q106 | E98-F102 VanDerWaalsContact O-CB 3.23Å; E98-F102 WeakPolarHBondContact O-CB 3.49Å; E98-F102 PolarHBondContact O-N 3.22Å; V99-F102 PolarHBondContact O-N 3.04Å; E100-F102 PolarHBondContact O-N 3.5Å; F102-L104 VanDerWaalsContact C-N 3.28Å; F102-L104 PolarHBondContact O-N 3.39Å; F102-A105 PolarHBondContact O-N 3.07Å; F102-Q106 WeakPolarHBondContact O-CB 3.5Å; F102-Q106 PolarHBondContact O-N 3.47Å |
| 103 | S | 94.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 114.2 Ų | 114.2 | 32% | 0.315 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 179.3 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | V99 E100 K107 | V99-S103 WeakPolarHBondContact O-CB 3.5Å; V99-S103 PolarHBondContact O-N 3.47Å; E100-S103 PolarHBondContact O-N 3.07Å; E100-S103 PolarHBondContact O-OG 2.91Å; S103-K107 WeakPolarHBondContact O-CG 3.28Å; S103-K107 PolarHBondContact O-N 2.95Å; S103-K107 VanDerWaalsContact O-N 3.13Å |
| 104 | L | 95.5 | Very high | 94.7 | Very high | 96 Ų | 96 | 111.4 Ų | 111.4 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.3 | -46.6 | 176.1 | 178.7 | 60.6 | 0 | 0 | 0 | 110.9 | E100 D101 F102 Q106 K107 L108 | E100-L104 PolarHBondContact O-N 3.07Å; D101-L104 PolarHBondContact O-N 3.3Å; F102-L104 VanDerWaalsContact C-N 3.28Å; F102-L104 PolarHBondContact O-N 3.39Å; L104-Q106 VanDerWaalsContact C-N 3.3Å; L104-Q106 PolarHBondContact O-N 3.35Å; L104-K107 PolarHBondContact O-N 2.92Å; L104-L108 HydrophobicContact CD1-CD1 4.41Å; L104-L108 HydrophobicContact CD1-CG 4.36Å; L104-L108 HydrophobicContact CG-CD1 4.22Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.1Å |
| 105 | A | 95.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 110.4 Ų | 110.4 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D101 F102 K107 L108 Q109 | D101-A105 WeakPolarHBondContact O-CB 3.4Å; D101-A105 PolarHBondContact O-N 3.02Å; F102-A105 PolarHBondContact O-N 3.07Å; A105-K107 PolarHBondContact O-N 3.35Å; A105-L108 PolarHBondContact O-N 2.89Å; A105-Q109 WeakPolarHBondContact O-CB 3.45Å; A105-Q109 PolarHBondContact O-N 2.91Å |
| 106 | Q | 96.8 | Very high | 95.5 | Very high | 110 Ų | 110 | 109.5 Ų | 109.5 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.1 | -171.8 | -177.4 | 12.4 | 0 | 0 | 111.9 | F102 L104 Q109 E110 | F102-Q106 WeakPolarHBondContact O-CB 3.5Å; F102-Q106 PolarHBondContact O-N 3.47Å; L104-Q106 VanDerWaalsContact C-N 3.3Å; L104-Q106 PolarHBondContact O-N 3.35Å; Q106-Q109 PolarHBondContact O-N 3.5Å; Q106-E110 WeakPolarHBondContact O-CB 3.48Å; Q106-E110 PolarHBondContact O-N 2.99Å |
| 107 | K | 97.1 | Very high | 95.9 | Very high | 142 Ų | 142 | 107.5 Ų | 107.5 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 176.3 | -76 | 171.5 | -177.5 | 171 | 0 | 112.3 | S103 L104 A105 Q109 E110 V111 | S103-K107 WeakPolarHBondContact O-CG 3.28Å; S103-K107 PolarHBondContact O-N 2.95Å; S103-K107 VanDerWaalsContact O-N 3.13Å; L104-K107 PolarHBondContact O-N 2.92Å; A105-K107 PolarHBondContact O-N 3.35Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; K107-E110 PolarHBondContact O-N 3.21Å; K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.45Å; K107-V111 PolarHBondContact O-N 3.38Å |
| 108 | L | 97.8 | Very high | 96.2 | Very high | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 177.1 | -71.6 | 174.1 | 0 | 0 | 0 | 111.1 | L104 A105 V111 E112 | L104-L108 HydrophobicContact CD1-CD1 4.41Å; L104-L108 HydrophobicContact CD1-CG 4.36Å; L104-L108 HydrophobicContact CG-CD1 4.22Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.1Å; A105-L108 PolarHBondContact O-N 2.89Å; L108-V111 PolarHBondContact O-N 3.04Å; L108-E112 WeakPolarHBondContact O-CB 3.31Å; L108-E112 PolarHBondContact O-N 3.4Å |
| 109 | Q | 97.5 | Very high | 96.5 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 176 | -173.3 | 177.7 | 21.2 | 0 | 0 | 111.8 | A105 Q106 K107 E112 F113 | A105-Q109 WeakPolarHBondContact O-CB 3.45Å; A105-Q109 PolarHBondContact O-N 2.91Å; Q106-Q109 PolarHBondContact O-N 3.5Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; Q109-E112 PolarHBondContact O-N 2.91Å; Q109-F113 VanDerWaalsContact O-CB 3.25Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.23Å |
| 110 | E | 98 | Very high | 96.8 | Very high | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177 | -175.6 | 59.6 | -147.6 | 0 | 0 | 111.6 | Q106 K107 F113 Q114 | Q106-E110 WeakPolarHBondContact O-CB 3.48Å; Q106-E110 PolarHBondContact O-N 2.99Å; K107-E110 PolarHBondContact O-N 3.21Å; E110-F113 PolarHBondContact O-N 2.99Å; E110-Q114 VanDerWaalsContact O-CB 3.25Å; E110-Q114 WeakPolarHBondContact O-CB 3.45Å; E110-Q114 PolarHBondContact O-N 3.41Å |
| 111 | V | 97.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 105.5 Ų | 105.5 | 61% | 0.606 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | K107 L108 K115 | K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.45Å; K107-V111 PolarHBondContact O-N 3.38Å; L108-V111 PolarHBondContact O-N 3.04Å; V111-K115 WeakPolarHBondContact O-CB 3.39Å; V111-K115 PolarHBondContact O-N 3.43Å |
| 112 | E | 97.6 | Very high | 97.3 | Very high | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.9 | -47.1 | 177.2 | -179.1 | 172.6 | -163.2 | 0 | 0 | 111.5 | L108 Q109 Q114 K115 H116 | L108-E112 WeakPolarHBondContact O-CB 3.31Å; L108-E112 PolarHBondContact O-N 3.4Å; Q109-E112 PolarHBondContact O-N 2.91Å; E112-Q114 PolarHBondContact O-N 3.41Å; E112-K115 WeakPolarHBondContact O-CB 3.36Å; E112-K115 PolarHBondContact O-N 2.86Å; E112-H116 PolarHBondContact O-CD2 3.14Å; E112-H116 VanDerWaalsContact O-CD2 3.22Å; E112-H116 PolarHBondContact O-N 2.85Å |
| 113 | F | 98.1 | Very high | 97.4 | Very high | 123 Ų | 123 | 103.3 Ų | 103.3 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.2 | -49.7 | 176.7 | 179.1 | -97 | 0 | 0 | 0 | 111 | Q109 E110 K115 H116 Y117 | Q109-F113 VanDerWaalsContact O-CB 3.25Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.23Å; E110-F113 PolarHBondContact O-N 2.99Å; F113-K115 VanDerWaalsContact C-N 3.31Å; F113-K115 PolarHBondContact O-N 2.9Å; F113-H116 PolarHBondContact O-N 3.35Å; F113-Y117 HydrophobicContact CZ-CD2 4.48Å; F113-Y117 VanDerWaalsContact O-CB 3.23Å; F113-Y117 WeakPolarHBondContact O-CB 3.3Å; F113-Y117 PolarHBondContact O-N 2.99Å |
| 114 | Q | 98.2 | Very high | 97.5 | Very high | 80 Ų | 80 | 109.9 Ų | 109.9 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | -178.9 | -173.1 | 60 | 8.1 | 0 | 0 | 112 | E110 E112 N118 | E110-Q114 VanDerWaalsContact O-CB 3.25Å; E110-Q114 WeakPolarHBondContact O-CB 3.45Å; E110-Q114 PolarHBondContact O-N 3.41Å; E112-Q114 PolarHBondContact O-N 3.41Å; Q114-N118 PolarHBondContact NE2-ND2 2.92Å; Q114-N118 PolarHBondContact NE2-OD1 3.39Å; Q114-N118 WeakPolarHBondContact O-CB 3.3Å; Q114-N118 PolarHBondContact O-N 3.46Å; Q114-N118 PolarHBondContact O-ND2 3.26Å; Q114-N118 VanDerWaalsContact O-ND2 3.16Å |
| 115 | K | 98.1 | Very high | 97.6 | Very high | 147 Ų | 147 | 110.6 Ų | 110.6 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -51.8 | 173.8 | -179.4 | -173.7 | 176.4 | -171.5 | 0 | 111.3 | V111 E112 F113 N118 Y119 | V111-K115 WeakPolarHBondContact O-CB 3.39Å; V111-K115 PolarHBondContact O-N 3.43Å; E112-K115 WeakPolarHBondContact O-CB 3.36Å; E112-K115 PolarHBondContact O-N 2.86Å; F113-K115 VanDerWaalsContact C-N 3.31Å; F113-K115 PolarHBondContact O-N 2.9Å; K115-N118 PolarHBondContact O-N 3.4Å; K115-Y119 WeakPolarHBondContact O-CB 3.39Å; K115-Y119 PolarHBondContact O-N 2.96Å |
| 116 | H | 98.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 112.1 Ų | 112.1 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | -179.6 | -76.5 | -67.4 | 0 | 0 | 0 | 112.7 | E112 F113 N120 | E112-H116 PolarHBondContact O-CD2 3.14Å; E112-H116 VanDerWaalsContact O-CD2 3.22Å; E112-H116 PolarHBondContact O-N 2.85Å; F113-H116 PolarHBondContact O-N 3.35Å; H116-N120 VanDerWaalsContact O-CB 3.31Å; H116-N120 WeakPolarHBondContact O-CB 3.38Å; H116-N120 PolarHBondContact O-N 3.38Å; H116-N120 PolarHBondContact O-ND2 3.41Å |
| 117 | Y | 98.2 | Very high | 97.6 | Very high | 121 Ų | 121 | 112 Ų | 112 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 175.7 | -179.6 | -98.2 | 0 | 0 | 0 | 111.3 | F113 N120 R121 | F113-Y117 HydrophobicContact CZ-CD2 4.48Å; F113-Y117 VanDerWaalsContact O-CB 3.23Å; F113-Y117 WeakPolarHBondContact O-CB 3.3Å; F113-Y117 PolarHBondContact O-N 2.99Å; Y117-N120 PolarHBondContact O-N 2.92Å; Y117-R121 VanDerWaalsContact O-CB 3.3Å; Y117-R121 WeakPolarHBondContact O-CB 3.46Å; Y117-R121 PolarHBondContact O-N 2.86Å |
| 118 | N | 98 | Very high | 97.5 | Very high | 56 Ų | 56 | 106.3 Ų | 106.3 | 30% | 0.299 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.7 | -71 | -26 | 0 | 0 | 0 | 111.6 | Q114 K115 N120 R121 E122 | Q114-N118 PolarHBondContact NE2-ND2 2.92Å; Q114-N118 PolarHBondContact NE2-OD1 3.39Å; Q114-N118 WeakPolarHBondContact O-CB 3.3Å; Q114-N118 PolarHBondContact O-N 3.46Å; Q114-N118 PolarHBondContact O-ND2 3.26Å; Q114-N118 VanDerWaalsContact O-ND2 3.16Å; K115-N118 PolarHBondContact O-N 3.4Å; N118-N120 PolarHBondContact O-N 3.23Å; N118-R121 WeakPolarHBondContact O-CB 3.34Å; N118-R121 PolarHBondContact O-N 2.9Å; N118-E122 WeakPolarHBondContact O-CG 3.37Å; N118-E122 PolarHBondContact O-N 3.45Å |
| 119 | Y | 98.1 | Very high | 97.5 | Very high | 124 Ų | 124 | 103 Ų | 103 | 49% | 0.486 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.3 | -50.6 | 176.3 | 179.9 | -105 | 0 | 0 | 0 | 111.9 | K115 R121 E122 E123 | K115-Y119 WeakPolarHBondContact O-CB 3.39Å; K115-Y119 PolarHBondContact O-N 2.96Å; Y119-R121 VanDerWaalsContact C-N 3.26Å; Y119-R121 PolarHBondContact O-N 3.2Å; Y119-E122 PolarHBondContact O-N 3.39Å; Y119-E123 HydrophobicContact CD1-CG 4.25Å; Y119-E123 HydrophobicContact CD2-CG 4.46Å; Y119-E123 HydrophobicContact CE1-CG 3.78Å; Y119-E123 HydrophobicContact CE2-CG 3.97Å; Y119-E123 WeakPolarHBondContact CE2-OE1 3.44Å; Y119-E123 WeakPolarHBondContact O-CG 3.36Å; Y119-E123 PolarHBondContact O-N 2.98Å; Y119-E123 PolarHBondContact OH-OE1 2.88Å |
| 120 | N | 97.8 | Very high | 97.5 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -33.3 | 178.3 | -73.7 | -23.2 | 0 | 0 | 0 | 112.7 | H116 Y117 N118 R124 | H116-N120 VanDerWaalsContact O-CB 3.31Å; H116-N120 WeakPolarHBondContact O-CB 3.38Å; H116-N120 PolarHBondContact O-N 3.38Å; H116-N120 PolarHBondContact O-ND2 3.41Å; Y117-N120 PolarHBondContact O-N 2.92Å; N118-N120 PolarHBondContact O-N 3.23Å; N120-R124 WeakPolarHBondContact O-CB 3.5Å; N120-R124 VanDerWaalsContact O-CG 3.23Å; N120-R124 WeakPolarHBondContact O-CG 3.38Å; N120-R124 PolarHBondContact O-N 3.44Å |
| 121 | R | 97.5 | Very high | 97.5 | Very high | 137 Ų | 137 | 100.9 Ų | 100.9 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -45 | 175.8 | -176.5 | -177.3 | 177.9 | -163.9 | -0.8 | 111.1 | Y117 N118 Y119 R124 Q125 | Y117-R121 VanDerWaalsContact O-CB 3.3Å; Y117-R121 WeakPolarHBondContact O-CB 3.46Å; Y117-R121 PolarHBondContact O-N 2.86Å; N118-R121 WeakPolarHBondContact O-CB 3.34Å; N118-R121 PolarHBondContact O-N 2.9Å; Y119-R121 VanDerWaalsContact C-N 3.26Å; Y119-R121 PolarHBondContact O-N 3.2Å; R121-R124 PolarHBondContact O-N 3.07Å; R121-Q125 WeakPolarHBondContact O-CG 3.45Å; R121-Q125 PolarHBondContact O-N 3.01Å |
| 122 | E | 97.9 | Very high | 97.4 | Very high | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.1 | -72.4 | 175.6 | -176.9 | 0 | 0 | 111.3 | N118 Y119 R124 Q125 N126 | N118-E122 WeakPolarHBondContact O-CG 3.37Å; N118-E122 PolarHBondContact O-N 3.45Å; Y119-E122 PolarHBondContact O-N 3.39Å; E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R124 PolarHBondContact O-N 3.2Å; E122-Q125 WeakPolarHBondContact O-CB 3.38Å; E122-Q125 PolarHBondContact O-N 3.01Å; E122-N126 PolarHBondContact O-N 3.01Å |
| 123 | E | 97.1 | Very high | 97.4 | Very high | 69 Ų | 69 | 102.5 Ų | 102.5 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 175.2 | -73.6 | -63.6 | 150.1 | 0 | 0 | 111.9 | Y119 Q125 N126 M127 | Y119-E123 HydrophobicContact CD1-CG 4.25Å; Y119-E123 HydrophobicContact CD2-CG 4.46Å; Y119-E123 HydrophobicContact CE1-CG 3.78Å; Y119-E123 HydrophobicContact CE2-CG 3.97Å; Y119-E123 WeakPolarHBondContact CE2-OE1 3.44Å; Y119-E123 WeakPolarHBondContact O-CG 3.36Å; Y119-E123 PolarHBondContact O-N 2.98Å; Y119-E123 PolarHBondContact OH-OE1 2.88Å; E123-Q125 VanDerWaalsContact C-N 3.32Å; E123-Q125 PolarHBondContact O-N 3.15Å; E123-N126 PolarHBondContact O-N 3.46Å; E123-M127 WeakPolarHBondContact O-CB 3.42Å; E123-M127 WeakPolarHBondContact O-CG 3.3Å; E123-M127 PolarHBondContact O-N 3.47Å |
| 124 | R | 96.7 | Very high | 97.4 | Very high | 183 Ų | 183 | 99.9 Ų | 99.9 | 69% | 0.691 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -36 | 175.2 | -75 | 174.7 | -174.5 | -170.5 | 3.4 | 113 | N120 R121 E122 M127 G128 | N120-R124 WeakPolarHBondContact O-CB 3.5Å; N120-R124 VanDerWaalsContact O-CG 3.23Å; N120-R124 WeakPolarHBondContact O-CG 3.38Å; N120-R124 PolarHBondContact O-N 3.44Å; R121-R124 PolarHBondContact O-N 3.07Å; E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R124 PolarHBondContact O-N 3.2Å; R124-M127 HydrophobicContact CG-CE 4.03Å; R124-G128 PolarHBondContact O-N 3.37Å |
| 125 | Q | 96.5 | Very high | 97.4 | Very high | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 175.9 | -74.2 | 178.5 | 1.4 | 0 | 0 | 111.3 | R121 E122 E123 G128 A129 | R121-Q125 WeakPolarHBondContact O-CG 3.45Å; R121-Q125 PolarHBondContact O-N 3.01Å; E122-Q125 WeakPolarHBondContact O-CB 3.38Å; E122-Q125 PolarHBondContact O-N 3.01Å; E123-Q125 VanDerWaalsContact C-N 3.32Å; E123-Q125 PolarHBondContact O-N 3.15Å; Q125-G128 PolarHBondContact O-N 2.8Å; Q125-A129 PolarHBondContact O-N 3.46Å |
| 126 | N | 96.9 | Very high | 97.4 | Very high | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -51.8 | 176.7 | -68.6 | -13 | 0 | 0 | 0 | 111 | E122 E123 G128 A129 D130 | E122-N126 PolarHBondContact O-N 3.01Å; E123-N126 PolarHBondContact O-N 3.46Å; N126-G128 VanDerWaalsContact C-N 3.26Å; N126-G128 PolarHBondContact O-N 3.31Å; N126-A129 WeakPolarHBondContact O-CA 3.48Å; N126-A129 WeakPolarHBondContact O-CB 3.49Å; N126-A129 PolarHBondContact O-N 2.97Å; N126-D130 PolarHBondContact O-N 3.41Å |
| 127 | M | 96.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 106 Ų | 106 | 52% | 0.522 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.8 | -42.2 | 174.4 | -72.9 | -172.1 | -71 | 0 | 0 | 111.9 | E123 R124 A129 D130 V131 | E123-M127 WeakPolarHBondContact O-CB 3.42Å; E123-M127 WeakPolarHBondContact O-CG 3.3Å; E123-M127 PolarHBondContact O-N 3.47Å; R124-M127 HydrophobicContact CG-CE 4.03Å; M127-A129 VanDerWaalsContact C-N 3.3Å; M127-A129 PolarHBondContact O-N 3.35Å; M127-D130 PolarHBondContact O-N 2.93Å; M127-V131 VanDerWaalsContact O-CG2 3.26Å; M127-V131 WeakPolarHBondContact O-CG2 3.28Å; M127-V131 PolarHBondContact O-N 2.95Å |
| 128 | G | 96 | Very high | 97.3 | Very high | 24 Ų | 24 | 105.4 Ų | 105.4 | 25% | 0.247 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R124 Q125 N126 R132 | R124-G128 PolarHBondContact O-N 3.37Å; Q125-G128 PolarHBondContact O-N 2.8Å; N126-G128 VanDerWaalsContact C-N 3.26Å; N126-G128 PolarHBondContact O-N 3.31Å; G128-R132 WeakPolarHBondContact O-CG 3.39Å; G128-R132 VanDerWaalsContact O-CZ 3.25Å; G128-R132 PolarHBondContact O-N 3.34Å; G128-R132 PolarHBondContact O-NH1 3.15Å |
| 129 | A | 96.5 | Very high | 97.3 | Very high | 39 Ų | 39 | 107 Ų | 107 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q125 N126 M127 V131 R132 L133 | Q125-A129 PolarHBondContact O-N 3.46Å; N126-A129 WeakPolarHBondContact O-CA 3.48Å; N126-A129 WeakPolarHBondContact O-CB 3.49Å; N126-A129 PolarHBondContact O-N 2.97Å; M127-A129 VanDerWaalsContact C-N 3.3Å; M127-A129 PolarHBondContact O-N 3.35Å; A129-V131 PolarHBondContact O-N 3.02Å; A129-R132 PolarHBondContact O-N 2.98Å; A129-L133 PolarHBondContact O-N 2.93Å |
| 130 | D | 98 | Very high | 97.3 | Very high | 104 Ų | 104 | 103.7 Ų | 103.7 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 179.4 | -67.1 | -15 | 0 | 0 | 0 | 111.8 | N126 M127 R132 L133 S134 | N126-D130 PolarHBondContact O-N 3.41Å; M127-D130 PolarHBondContact O-N 2.93Å; D130-R132 VanDerWaalsContact C-N 3.31Å; D130-R132 PolarHBondContact O-N 3.1Å; D130-L133 WeakPolarHBondContact O-CB 3.5Å; D130-L133 PolarHBondContact O-N 3.19Å; D130-S134 VanDerWaalsContact O-CB 3.3Å; D130-S134 WeakPolarHBondContact O-CB 3.44Å; D130-S134 PolarHBondContact O-N 3.11Å |
| 131 | V | 97.1 | Very high | 97.2 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | M127 A129 K135 | M127-V131 VanDerWaalsContact O-CG2 3.26Å; M127-V131 WeakPolarHBondContact O-CG2 3.28Å; M127-V131 PolarHBondContact O-N 2.95Å; A129-V131 PolarHBondContact O-N 3.02Å; V131-K135 WeakPolarHBondContact O-CB 3.48Å; V131-K135 PolarHBondContact O-N 3.14Å |
| 132 | R | 97.4 | Very high | 97.2 | Very high | 143 Ų | 143 | 102.7 Ų | 102.7 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 176.8 | -72.2 | -173.8 | -58.2 | -90.9 | 2.7 | 111.9 | G128 A129 D130 R136 | G128-R132 WeakPolarHBondContact O-CG 3.39Å; G128-R132 VanDerWaalsContact O-CZ 3.25Å; G128-R132 PolarHBondContact O-N 3.34Å; G128-R132 PolarHBondContact O-NH1 3.15Å; A129-R132 PolarHBondContact O-N 2.98Å; D130-R132 VanDerWaalsContact C-N 3.31Å; D130-R132 PolarHBondContact O-N 3.1Å; R132-R136 WeakPolarHBondContact O-CG 3.44Å; R132-R136 PolarHBondContact O-N 3.24Å |
| 133 | L | 97.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 101 Ų | 101 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -52.2 | 175.9 | -173.2 | 97.9 | 0 | 0 | 0 | 110.4 | A129 D130 K135 R136 E137 | A129-L133 PolarHBondContact O-N 2.93Å; D130-L133 WeakPolarHBondContact O-CB 3.5Å; D130-L133 PolarHBondContact O-N 3.19Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.48Å; L133-R136 WeakPolarHBondContact O-CB 3.4Å; L133-R136 PolarHBondContact O-N 2.9Å; L133-E137 PolarHBondContact O-N 3.45Å |
| 134 | S | 97.7 | Very high | 97.1 | Very high | 68 Ų | 68 | 105.6 Ų | 105.6 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | D130 R136 E137 Q138 | D130-S134 VanDerWaalsContact O-CB 3.3Å; D130-S134 WeakPolarHBondContact O-CB 3.44Å; D130-S134 PolarHBondContact O-N 3.11Å; S134-R136 VanDerWaalsContact C-N 3.35Å; S134-R136 PolarHBondContact O-N 3.22Å; S134-E137 PolarHBondContact O-N 3.48Å; S134-Q138 WeakPolarHBondContact O-CB 3.26Å; S134-Q138 PolarHBondContact O-N 3.29Å |
| 135 | K | 97.3 | Very high | 97.1 | Very high | 137 Ų | 137 | 104.1 Ų | 104.1 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 175.1 | -174 | 174.9 | -178.6 | 179 | 0 | 112.6 | V131 L133 L139 | V131-K135 WeakPolarHBondContact O-CB 3.48Å; V131-K135 PolarHBondContact O-N 3.14Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.48Å; K135-L139 HydrophobicContact CG-CD1 4.35Å; K135-L139 VanDerWaalsContact O-CG 3.28Å; K135-L139 WeakPolarHBondContact O-CG 3.41Å; K135-L139 PolarHBondContact O-N 2.96Å; K135-L139 VanDerWaalsContact O-N 3.07Å |
| 136 | R | 97.8 | Very high | 97.1 | Very high | 177 Ų | 177 | 107.5 Ų | 107.5 | 67% | 0.668 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 177.5 | -72.7 | 174.6 | -173.5 | 163.4 | 0.6 | 111.7 | R132 L133 S134 L139 A140 | R132-R136 WeakPolarHBondContact O-CG 3.44Å; R132-R136 PolarHBondContact O-N 3.24Å; L133-R136 WeakPolarHBondContact O-CB 3.4Å; L133-R136 PolarHBondContact O-N 2.9Å; S134-R136 VanDerWaalsContact C-N 3.35Å; S134-R136 PolarHBondContact O-N 3.22Å; R136-L139 PolarHBondContact O-N 3.34Å; R136-A140 WeakPolarHBondContact O-CB 3.41Å; R136-A140 PolarHBondContact O-N 3.17Å |
| 137 | E | 97.5 | Very high | 97.1 | Very high | 132 Ų | 132 | 108.6 Ų | 108.6 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -44.6 | 177.1 | -174.8 | 173.5 | -166.3 | 0 | 0 | 111.3 | L133 S134 L139 A140 E141 | L133-E137 PolarHBondContact O-N 3.45Å; S134-E137 PolarHBondContact O-N 3.48Å; E137-L139 PolarHBondContact O-N 3.08Å; E137-A140 WeakPolarHBondContact O-CB 3.36Å; E137-A140 PolarHBondContact O-N 2.99Å; E137-E141 PolarHBondContact O-N 2.88Å |
| 138 | Q | 98.1 | Very high | 97.2 | Very high | 109 Ų | 109 | 109.1 Ų | 109.1 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 175.2 | -176.2 | -177.4 | -9.7 | 0 | 0 | 111.6 | S134 A140 E141 E142 | S134-Q138 WeakPolarHBondContact O-CB 3.26Å; S134-Q138 PolarHBondContact O-N 3.29Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 3.4Å; Q138-E141 PolarHBondContact O-N 3.34Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.38Å; Q138-E142 PolarHBondContact NE2-OE1 2.94Å; Q138-E142 WeakPolarHBondContact O-CG 3.46Å; Q138-E142 PolarHBondContact O-N 2.94Å |
| 139 | L | 97.5 | Very high | 97.2 | Very high | 90 Ų | 90 | 113.1 Ų | 113.1 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.8 | -72 | 171.9 | 0 | 0 | 0 | 112.3 | K135 R136 E137 C143 | K135-L139 HydrophobicContact CG-CD1 4.35Å; K135-L139 VanDerWaalsContact O-CG 3.28Å; K135-L139 WeakPolarHBondContact O-CG 3.41Å; K135-L139 PolarHBondContact O-N 2.96Å; K135-L139 VanDerWaalsContact O-N 3.07Å; R136-L139 PolarHBondContact O-N 3.34Å; E137-L139 PolarHBondContact O-N 3.08Å; L139-C143 WeakPolarHBondContact O-CB 3.38Å; L139-C143 PolarHBondContact O-N 3.37Å; L139-C143 PolarHBondContact O-SG 3.39Å |
| 140 | A | 97.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 114.6 Ų | 114.6 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R136 E137 Q138 C143 R144 | R136-A140 WeakPolarHBondContact O-CB 3.41Å; R136-A140 PolarHBondContact O-N 3.17Å; E137-A140 WeakPolarHBondContact O-CB 3.36Å; E137-A140 PolarHBondContact O-N 2.99Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 3.4Å; A140-C143 PolarHBondContact O-N 2.88Å; A140-R144 WeakPolarHBondContact O-CG 3.43Å; A140-R144 PolarHBondContact O-N 3.36Å |
| 141 | E | 97 | Very high | 97.2 | Very high | 97 Ų | 97 | 113.4 Ų | 113.4 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 177.8 | -168.1 | 58.7 | -156 | 0 | 0 | 111.9 | E137 Q138 C143 R144 Y145 | E137-E141 PolarHBondContact O-N 2.88Å; Q138-E141 PolarHBondContact O-N 3.34Å; E141-C143 VanDerWaalsContact C-N 3.31Å; E141-C143 PolarHBondContact O-N 3.47Å; E141-R144 PolarHBondContact O-N 3.31Å; E141-R144 IonicContact OE2-CZ 2.98Å; E141-R144 IonicContact OE2-NH1 3.79Å; E141-R144 PolarHBondContact OE2-NH1 3.21Å; E141-Y145 WeakPolarHBondContact O-CB 3.39Å; E141-Y145 PolarHBondContact O-N 2.99Å |
| 142 | E | 97 | Very high | 97.3 | Very high | 99 Ų | 99 | 112.6 Ų | 112.6 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 173.8 | -74.7 | 174.3 | -168.7 | 0 | 0 | 111.7 | Q138 Y145 R146 | Q138-E142 WeakPolarHBondContact CG-OE1 3.38Å; Q138-E142 PolarHBondContact NE2-OE1 2.94Å; Q138-E142 WeakPolarHBondContact O-CG 3.46Å; Q138-E142 PolarHBondContact O-N 2.94Å; E142-Y145 PolarHBondContact O-N 2.93Å; E142-R146 VanDerWaalsContact O-CB 3.3Å; E142-R146 WeakPolarHBondContact O-CB 3.49Å; E142-R146 PolarHBondContact O-N 3.35Å |
| 143 | C | 96.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 110.5 Ų | 110.5 | 54% | 0.541 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 175.6 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | L139 A140 E141 R146 M147 | L139-C143 WeakPolarHBondContact O-CB 3.38Å; L139-C143 PolarHBondContact O-N 3.37Å; L139-C143 PolarHBondContact O-SG 3.39Å; A140-C143 PolarHBondContact O-N 2.88Å; E141-C143 VanDerWaalsContact C-N 3.31Å; E141-C143 PolarHBondContact O-N 3.47Å; C143-R146 PolarHBondContact O-N 2.95Å; C143-M147 WeakPolarHBondContact O-CG 3.45Å; C143-M147 PolarHBondContact O-N 3.32Å |
| 144 | R | 97.1 | Very high | 97.3 | Very high | 166 Ų | 166 | 110.4 Ų | 110.4 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -48.7 | 176.3 | -75.3 | 177.1 | 62.6 | -155.2 | 0.5 | 111.5 | A140 E141 R146 M147 E148 | A140-R144 WeakPolarHBondContact O-CG 3.43Å; A140-R144 PolarHBondContact O-N 3.36Å; E141-R144 PolarHBondContact O-N 3.31Å; E141-R144 IonicContact OE2-CZ 2.98Å; E141-R144 IonicContact OE2-NH1 3.79Å; E141-R144 PolarHBondContact OE2-NH1 3.21Å; R144-R146 VanDerWaalsContact C-N 3.31Å; R144-R146 PolarHBondContact O-N 3.25Å; R144-M147 PolarHBondContact O-N 3.04Å; R144-E148 PolarHBondContact O-N 3.04Å |
| 145 | Y | 96.8 | Very high | 97.3 | Very high | 152 Ų | 152 | 111.2 Ų | 111.2 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.1 | -43.5 | 178 | -179.5 | -99.9 | 0 | 0 | 0 | 111.6 | E141 E142 M147 E148 R149 | E141-Y145 WeakPolarHBondContact O-CB 3.39Å; E141-Y145 PolarHBondContact O-N 2.99Å; E142-Y145 PolarHBondContact O-N 2.93Å; Y145-M147 PolarHBondContact O-N 3.38Å; Y145-E148 PolarHBondContact O-N 3.31Å; Y145-R149 HydrophobicContact CD1-CG 4.06Å; Y145-R149 HydrophobicContact CE1-CG 3.62Å; Y145-R149 HydrophobicContact CE2-CG 4.18Å; Y145-R149 WeakPolarHBondContact O-CB 3.46Å; Y145-R149 VanDerWaalsContact O-CG 3.31Å; Y145-R149 WeakPolarHBondContact O-CG 3.23Å; Y145-R149 PolarHBondContact O-N 2.87Å |
| 146 | R | 96.3 | Very high | 97.4 | Very high | 182 Ų | 182 | 108.4 Ų | 108.4 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 177.1 | -173.3 | 175.5 | -177.4 | 160.6 | 2.2 | 112.5 | E142 C143 R144 L150 | E142-R146 VanDerWaalsContact O-CB 3.3Å; E142-R146 WeakPolarHBondContact O-CB 3.49Å; E142-R146 PolarHBondContact O-N 3.35Å; C143-R146 PolarHBondContact O-N 2.95Å; R144-R146 VanDerWaalsContact C-N 3.31Å; R144-R146 PolarHBondContact O-N 3.25Å; R146-L150 WeakPolarHBondContact O-CB 3.37Å; R146-L150 PolarHBondContact O-N 2.95Å |
| 147 | M | 96.7 | Very high | 97.4 | Very high | 111 Ų | 111 | 106.7 Ų | 106.7 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.4 | -71 | -61.2 | 99 | 0 | 0 | 112 | C143 R144 Y145 L150 N151 | C143-M147 WeakPolarHBondContact O-CG 3.45Å; C143-M147 PolarHBondContact O-N 3.32Å; R144-M147 PolarHBondContact O-N 3.04Å; Y145-M147 PolarHBondContact O-N 3.38Å; M147-L150 PolarHBondContact O-N 3.43Å; M147-N151 WeakPolarHBondContact O-CB 3.31Å; M147-N151 PolarHBondContact O-N 3.04Å |
| 148 | E | 97.5 | Very high | 97.5 | Very high | 117 Ų | 117 | 105.8 Ų | 105.8 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 176.4 | -171.4 | 59.6 | -150.7 | 0 | 0 | 111.4 | R144 Y145 L150 N151 Q152 | R144-E148 PolarHBondContact O-N 3.04Å; Y145-E148 PolarHBondContact O-N 3.31Å; E148-L150 VanDerWaalsContact C-N 3.35Å; E148-L150 PolarHBondContact O-N 3.41Å; E148-N151 WeakPolarHBondContact O-CB 3.42Å; E148-N151 PolarHBondContact O-N 3.34Å; E148-N151 VanDerWaalsContact O-N 3.17Å; E148-Q152 PolarHBondContact O-N 2.94Å |
| 149 | R | 96.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 104.9 Ų | 104.9 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 174.9 | -80.4 | -65 | -51.7 | 172.2 | 7.3 | 112.5 | Y145 N151 Q152 E153 | Y145-R149 HydrophobicContact CD1-CG 4.06Å; Y145-R149 HydrophobicContact CE1-CG 3.62Å; Y145-R149 HydrophobicContact CE2-CG 4.18Å; Y145-R149 WeakPolarHBondContact O-CB 3.46Å; Y145-R149 VanDerWaalsContact O-CG 3.31Å; Y145-R149 WeakPolarHBondContact O-CG 3.23Å; Y145-R149 PolarHBondContact O-N 2.87Å; R149-N151 VanDerWaalsContact C-N 3.3Å; R149-N151 PolarHBondContact O-N 2.95Å; R149-Q152 PolarHBondContact O-N 3.17Å; R149-E153 IonicContact CZ-OE1 2.71Å; R149-E153 IonicContact NE-OE1 3.56Å; R149-E153 IonicContact NH2-OE1 2.71Å; R149-E153 PolarHBondContact NH2-OE1 2.91Å; R149-E153 WeakPolarHBondContact O-CB 3.44Å; R149-E153 WeakPolarHBondContact O-CG 3.37Å; R149-E153 PolarHBondContact O-N 3.31Å |
| 150 | L | 97.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 103.3 Ų | 103.3 | 37% | 0.366 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | 178.6 | -175.3 | 150.6 | 0 | 0 | 0 | 111.8 | R146 M147 E148 K154 | R146-L150 WeakPolarHBondContact O-CB 3.37Å; R146-L150 PolarHBondContact O-N 2.95Å; M147-L150 PolarHBondContact O-N 3.43Å; E148-L150 VanDerWaalsContact C-N 3.35Å; E148-L150 PolarHBondContact O-N 3.41Å; L150-K154 HydrophobicContact CD2-CD 3.93Å; L150-K154 VanDerWaalsContact CD2-CE 3.43Å; L150-K154 WeakPolarHBondContact O-CG 3.43Å; L150-K154 PolarHBondContact O-N 3.37Å; L150-K154 VanDerWaalsContact O-N 3.13Å |
| 151 | N | 97.5 | Very high | 97.6 | Very high | 79 Ų | 79 | 103.6 Ų | 103.6 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 174.7 | -169.2 | 48.3 | 0 | 0 | 0 | 111.2 | M147 E148 R149 E153 K154 E155 | M147-N151 WeakPolarHBondContact O-CB 3.31Å; M147-N151 PolarHBondContact O-N 3.04Å; E148-N151 WeakPolarHBondContact O-CB 3.42Å; E148-N151 PolarHBondContact O-N 3.34Å; E148-N151 VanDerWaalsContact O-N 3.17Å; R149-N151 VanDerWaalsContact C-N 3.3Å; R149-N151 PolarHBondContact O-N 2.95Å; N151-E153 VanDerWaalsContact C-N 3.34Å; N151-E153 PolarHBondContact O-N 3.08Å; N151-K154 WeakPolarHBondContact O-CB 3.4Å; N151-K154 PolarHBondContact O-N 3.17Å; N151-E155 WeakPolarHBondContact O-CG 3.44Å; N151-E155 PolarHBondContact O-N 2.99Å |
| 152 | Q | 97.8 | Very high | 97.7 | Very high | 85 Ų | 85 | 104.3 Ų | 104.3 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 175.6 | -173 | 62.2 | 44.4 | 0 | 0 | 111.6 | E148 R149 K154 E155 D156 | E148-Q152 PolarHBondContact O-N 2.94Å; R149-Q152 PolarHBondContact O-N 3.17Å; Q152-K154 VanDerWaalsContact C-N 3.28Å; Q152-K154 PolarHBondContact O-N 3.49Å; Q152-E155 PolarHBondContact O-N 3.13Å; Q152-E155 VanDerWaalsContact O-N 3.15Å; Q152-D156 PolarHBondContact NE2-OD1 2.91Å; Q152-D156 WeakPolarHBondContact O-CB 3.47Å; Q152-D156 VanDerWaalsContact O-CG 3.23Å; Q152-D156 PolarHBondContact O-N 3.28Å |
| 153 | E | 97.8 | Very high | 97.7 | Very high | 98 Ų | 98 | 103.8 Ų | 103.8 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 177.8 | -76.7 | 165.3 | -163.9 | 0 | 0 | 112.1 | R149 N151 E157 | R149-E153 IonicContact CZ-OE1 2.71Å; R149-E153 IonicContact NE-OE1 3.56Å; R149-E153 IonicContact NH2-OE1 2.71Å; R149-E153 PolarHBondContact NH2-OE1 2.91Å; R149-E153 WeakPolarHBondContact O-CB 3.44Å; R149-E153 WeakPolarHBondContact O-CG 3.37Å; R149-E153 PolarHBondContact O-N 3.31Å; N151-E153 VanDerWaalsContact C-N 3.34Å; N151-E153 PolarHBondContact O-N 3.08Å; E153-E157 WeakPolarHBondContact O-CB 3.35Å; E153-E157 PolarHBondContact O-N 3.45Å |
| 154 | K | 97.8 | Very high | 97.8 | Very high | 108 Ų | 108 | 104.9 Ų | 104.9 | 47% | 0.47 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 174.7 | -75.6 | 175.5 | 176.2 | 174.1 | 0 | 113 | L150 N151 Q152 K158 | L150-K154 HydrophobicContact CD2-CD 3.93Å; L150-K154 VanDerWaalsContact CD2-CE 3.43Å; L150-K154 WeakPolarHBondContact O-CG 3.43Å; L150-K154 PolarHBondContact O-N 3.37Å; L150-K154 VanDerWaalsContact O-N 3.13Å; N151-K154 WeakPolarHBondContact O-CB 3.4Å; N151-K154 PolarHBondContact O-N 3.17Å; Q152-K154 VanDerWaalsContact C-N 3.28Å; Q152-K154 PolarHBondContact O-N 3.49Å; K154-K158 VanDerWaalsContact O-CG 3.3Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 2.9Å |
| 155 | E | 98.2 | Very high | 97.9 | Very high | 84 Ų | 84 | 102.9 Ų | 102.9 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 177.3 | -66.7 | -54.9 | 128.6 | 0 | 0 | 111.1 | N151 Q152 K158 L159 | N151-E155 WeakPolarHBondContact O-CG 3.44Å; N151-E155 PolarHBondContact O-N 2.99Å; Q152-E155 PolarHBondContact O-N 3.13Å; Q152-E155 VanDerWaalsContact O-N 3.15Å; E155-K158 PolarHBondContact O-N 3.44Å; E155-K158 IonicContact OE1-NZ 3.94Å; E155-K158 PolarHBondContact OE1-NZ 3.2Å; E155-K158 IonicContact OE2-NZ 3.14Å; E155-L159 WeakPolarHBondContact O-CB 3.37Å; E155-L159 PolarHBondContact O-N 2.93Å |
| 156 | D | 98.5 | Very high | 98 | Very high | 79 Ų | 79 | 101 Ų | 101 | 42% | 0.422 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 174.3 | -68.6 | -12.7 | 0 | 0 | 0 | 111.3 | Q152 L159 A160 | Q152-D156 PolarHBondContact NE2-OD1 2.91Å; Q152-D156 WeakPolarHBondContact O-CB 3.47Å; Q152-D156 VanDerWaalsContact O-CG 3.23Å; Q152-D156 PolarHBondContact O-N 3.28Å; D156-L159 PolarHBondContact O-N 3.14Å; D156-A160 VanDerWaalsContact O-CB 3.32Å; D156-A160 WeakPolarHBondContact O-CB 3.35Å; D156-A160 PolarHBondContact O-N 3.29Å |
| 157 | E | 98.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 96.6 Ų | 96.6 | 66% | 0.659 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 175.4 | -175.7 | -179.3 | -168.2 | 0 | 0 | 111.8 | E153 L159 A160 A161 | E153-E157 WeakPolarHBondContact O-CB 3.35Å; E153-E157 PolarHBondContact O-N 3.45Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.47Å; E157-A160 PolarHBondContact O-N 3.17Å; E157-A161 WeakPolarHBondContact O-CB 3.46Å; E157-A161 PolarHBondContact O-N 2.94Å |
| 158 | K | 98.5 | Very high | 98.1 | Very high | 113 Ų | 113 | 95.3 Ų | 95.3 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.1 | -73.7 | 171.5 | -170.3 | 168.1 | 0 | 111.5 | K154 E155 A161 Q162 | K154-K158 VanDerWaalsContact O-CG 3.3Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 2.9Å; E155-K158 PolarHBondContact O-N 3.44Å; E155-K158 IonicContact OE1-NZ 3.94Å; E155-K158 PolarHBondContact OE1-NZ 3.2Å; E155-K158 IonicContact OE2-NZ 3.14Å; K158-A161 PolarHBondContact O-N 3.04Å; K158-Q162 WeakPolarHBondContact O-CG 3.23Å; K158-Q162 PolarHBondContact O-N 3.32Å |
| 159 | L | 98.5 | Very high | 98.2 | Very high | 90 Ų | 90 | 93.9 Ų | 93.9 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 178.3 | -179.9 | 61.2 | 0 | 0 | 0 | 110.9 | E155 D156 E157 A161 Q162 L163 | E155-L159 WeakPolarHBondContact O-CB 3.37Å; E155-L159 PolarHBondContact O-N 2.93Å; D156-L159 PolarHBondContact O-N 3.14Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.47Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 3.01Å; L159-Q162 PolarHBondContact O-N 3.26Å; L159-L163 HydrophobicContact CD1-CD1 4.44Å; L159-L163 HydrophobicContact CD1-CG 4.44Å; L159-L163 HydrophobicContact CG-CD1 4.21Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.49Å |
| 160 | A | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 93.7 Ų | 93.7 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D156 E157 L163 Q164 | D156-A160 VanDerWaalsContact O-CB 3.32Å; D156-A160 WeakPolarHBondContact O-CB 3.35Å; D156-A160 PolarHBondContact O-N 3.29Å; E157-A160 PolarHBondContact O-N 3.17Å; A160-L163 PolarHBondContact O-N 2.91Å; A160-Q164 WeakPolarHBondContact O-CB 3.35Å; A160-Q164 PolarHBondContact O-N 2.99Å |
| 161 | A | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 92.8 Ų | 92.8 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E157 K158 L159 Q164 Q165 | E157-A161 WeakPolarHBondContact O-CB 3.46Å; E157-A161 PolarHBondContact O-N 2.94Å; K158-A161 PolarHBondContact O-N 3.04Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 3.01Å; A161-Q164 PolarHBondContact O-N 3.34Å; A161-Q165 PolarHBondContact O-N 3.07Å |
| 162 | Q | 98.5 | Very high | 98.3 | Very high | 112 Ų | 112 | 94.1 Ų | 94.1 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.6 | -73.8 | 177.6 | -4.5 | 0 | 0 | 112.2 | K158 L159 Q164 Q165 Q166 | K158-Q162 WeakPolarHBondContact O-CG 3.23Å; K158-Q162 PolarHBondContact O-N 3.32Å; L159-Q162 PolarHBondContact O-N 3.26Å; Q162-Q164 VanDerWaalsContact C-N 3.35Å; Q162-Q165 PolarHBondContact O-N 2.92Å; Q162-Q166 WeakPolarHBondContact O-CG 3.42Å; Q162-Q166 PolarHBondContact O-N 3.21Å |
| 163 | L | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 94.7 Ų | 94.7 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.8 | -71.5 | 172.9 | 0 | 0 | 0 | 111.4 | L159 A160 Q165 Q166 L167 | L159-L163 HydrophobicContact CD1-CD1 4.44Å; L159-L163 HydrophobicContact CD1-CG 4.44Å; L159-L163 HydrophobicContact CG-CD1 4.21Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.49Å; A160-L163 PolarHBondContact O-N 2.91Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 3.37Å; L163-Q166 PolarHBondContact O-N 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.36Å; L163-L167 PolarHBondContact O-N 3.22Å |
| 164 | Q | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 96.3 Ų | 96.3 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.5 | -174.5 | 60.6 | 52.3 | 0 | 0 | 111.3 | A160 A161 Q162 Q166 L167 D168 | A160-Q164 WeakPolarHBondContact O-CB 3.35Å; A160-Q164 PolarHBondContact O-N 2.99Å; A161-Q164 PolarHBondContact O-N 3.34Å; Q162-Q164 VanDerWaalsContact C-N 3.35Å; Q164-Q166 VanDerWaalsContact C-N 3.32Å; Q164-Q166 PolarHBondContact O-N 3.42Å; Q164-L167 PolarHBondContact O-N 3.44Å; Q164-D168 PolarHBondContact NE2-OD1 2.98Å; Q164-D168 VanDerWaalsContact O-CG 3.25Å; Q164-D168 PolarHBondContact O-N 3.27Å |
| 165 | Q | 98.5 | Very high | 98.4 | Very high | 125 Ų | 125 | 98.5 Ų | 98.5 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 177.4 | -173.4 | -177.7 | 5 | 0 | 0 | 112.2 | A161 Q162 L163 D168 I169 | A161-Q165 PolarHBondContact O-N 3.07Å; Q162-Q165 PolarHBondContact O-N 2.92Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 3.37Å; Q165-D168 PolarHBondContact O-N 3Å; Q165-I169 HydrophobicContact CG-CD1 4.23Å; Q165-I169 VanDerWaalsContact O-CG1 3.3Å; Q165-I169 WeakPolarHBondContact O-CG1 3.25Å; Q165-I169 PolarHBondContact O-N 2.97Å; Q165-I169 VanDerWaalsContact O-N 3.13Å |
| 166 | Q | 98.5 | Very high | 98.4 | Very high | 112 Ų | 112 | 97.6 Ų | 97.6 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.4 | -72.4 | 176.5 | 3 | 0 | 0 | 111.5 | Q162 L163 Q164 D168 I169 E170 | Q162-Q166 WeakPolarHBondContact O-CG 3.42Å; Q162-Q166 PolarHBondContact O-N 3.21Å; L163-Q166 PolarHBondContact O-N 3.3Å; Q164-Q166 VanDerWaalsContact C-N 3.32Å; Q164-Q166 PolarHBondContact O-N 3.42Å; Q166-D168 VanDerWaalsContact C-N 3.34Å; Q166-D168 PolarHBondContact O-N 3.48Å; Q166-I169 PolarHBondContact O-N 2.79Å; Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.43Å |
| 167 | L | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 101.3 Ų | 101.3 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 177 | -70.9 | 173.4 | 0 | 0 | 0 | 112.1 | L163 Q164 I169 E170 D171 | L163-L167 WeakPolarHBondContact O-CG 3.36Å; L163-L167 PolarHBondContact O-N 3.22Å; Q164-L167 PolarHBondContact O-N 3.44Å; L167-I169 VanDerWaalsContact C-N 3.33Å; L167-I169 PolarHBondContact O-N 3.25Å; L167-E170 PolarHBondContact O-N 3.36Å; L167-D171 WeakPolarHBondContact O-CB 3.28Å; L167-D171 PolarHBondContact O-N 3.41Å |
| 168 | D | 98.6 | Very high | 98.3 | Very high | 84 Ų | 84 | 99 Ų | 99 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 178.3 | -68.3 | -18.1 | 0 | 0 | 0 | 111.6 | Q164 Q165 Q166 M172 | Q164-D168 PolarHBondContact NE2-OD1 2.98Å; Q164-D168 VanDerWaalsContact O-CG 3.25Å; Q164-D168 PolarHBondContact O-N 3.27Å; Q165-D168 PolarHBondContact O-N 3Å; Q166-D168 VanDerWaalsContact C-N 3.34Å; Q166-D168 PolarHBondContact O-N 3.48Å; D168-M172 WeakPolarHBondContact O-CB 3.48Å; D168-M172 WeakPolarHBondContact O-CG 3.36Å; D168-M172 PolarHBondContact O-N 2.89Å |
| 169 | I | 98.5 | Very high | 98.3 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 175.4 | -67 | 165 | 0 | 0 | 0 | 110.4 | Q165 Q166 L167 D171 M172 E173 | Q165-I169 HydrophobicContact CG-CD1 4.23Å; Q165-I169 VanDerWaalsContact O-CG1 3.3Å; Q165-I169 WeakPolarHBondContact O-CG1 3.25Å; Q165-I169 PolarHBondContact O-N 2.97Å; Q165-I169 VanDerWaalsContact O-N 3.13Å; Q166-I169 PolarHBondContact O-N 2.79Å; L167-I169 VanDerWaalsContact C-N 3.33Å; L167-I169 PolarHBondContact O-N 3.25Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 3.38Å; I169-M172 PolarHBondContact O-N 3.01Å; I169-M172 VanDerWaalsContact O-N 3.14Å; I169-E173 PolarHBondContact O-N 3.16Å |
| 170 | E | 98.1 | Very high | 98.3 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 178 | -74.7 | -174.6 | -174.8 | 0 | 0 | 112.3 | Q166 L167 M172 E173 R174 | Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.43Å; L167-E170 PolarHBondContact O-N 3.36Å; E170-M172 VanDerWaalsContact C-N 3.34Å; E170-E173 PolarHBondContact O-N 3.45Å; E170-R174 VanDerWaalsContact O-CB 3.24Å; E170-R174 WeakPolarHBondContact O-CB 3.33Å; E170-R174 PolarHBondContact O-N 3.42Å |
| 171 | D | 98.1 | Very high | 98.3 | Very high | 50 Ų | 50 | 103.4 Ų | 103.4 | 27% | 0.267 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175.4 | -94.4 | 5.4 | 0 | 0 | 0 | 111.6 | L167 I169 R174 R175 | L167-D171 WeakPolarHBondContact O-CB 3.28Å; L167-D171 PolarHBondContact O-N 3.41Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 3.38Å; D171-R174 PolarHBondContact O-N 3.01Å; D171-R174 IonicContact OD1-CZ 3.31Å; D171-R174 VanDerWaalsContact OD1-CZ 3.31Å; D171-R174 IonicContact OD1-NH1 2.64Å; D171-R174 PolarHBondContact OD1-NH1 3.08Å; D171-R174 IonicContact OD1-NH2 3.63Å; D171-R175 WeakPolarHBondContact O-CB 3.25Å; D171-R175 VanDerWaalsContact O-CG 3.27Å; D171-R175 WeakPolarHBondContact O-CG 3.45Å; D171-R175 PolarHBondContact O-N 3.27Å |
| 172 | M | 98.2 | Very high | 98.2 | Very high | 108 Ų | 108 | 105.5 Ų | 105.5 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 176.3 | -71.5 | -84.6 | 61.1 | 0 | 0 | 112.3 | D168 I169 E170 R174 R175 S176 | D168-M172 WeakPolarHBondContact O-CB 3.48Å; D168-M172 WeakPolarHBondContact O-CG 3.36Å; D168-M172 PolarHBondContact O-N 2.89Å; I169-M172 PolarHBondContact O-N 3.01Å; I169-M172 VanDerWaalsContact O-N 3.14Å; E170-M172 VanDerWaalsContact C-N 3.34Å; M172-R174 VanDerWaalsContact C-N 3.33Å; M172-R174 PolarHBondContact O-N 3Å; M172-R175 HydrophobicContact CE-CB 4.24Å; M172-R175 PolarHBondContact O-N 3.38Å; M172-S176 WeakPolarHBondContact O-CB 3.04Å; M172-S176 PolarHBondContact O-N 2.88Å |
| 173 | E | 98.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 173.6 | -72.5 | -170.1 | -167.2 | 0 | 0 | 111.9 | I169 E170 S176 R177 | I169-E173 PolarHBondContact O-N 3.16Å; E170-E173 PolarHBondContact O-N 3.45Å; E173-S176 PolarHBondContact O-N 2.83Å; E173-R177 VanDerWaalsContact O-CG 3.27Å; E173-R177 WeakPolarHBondContact O-CG 3.32Å; E173-R177 PolarHBondContact O-N 3.43Å; E173-R177 IonicContact OE2-CZ 3.93Å; E173-R177 IonicContact OE2-NH2 2.92Å; E173-R177 PolarHBondContact OE2-NH2 2.91Å |
| 174 | R | 98.1 | Very high | 98.1 | Very high | 132 Ų | 132 | 110.2 Ų | 110.2 | 50% | 0.498 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 178.3 | -172.5 | -173.3 | -55.4 | 145.2 | 2.8 | 111 | E170 D171 M172 R177 L178 | E170-R174 VanDerWaalsContact O-CB 3.24Å; E170-R174 WeakPolarHBondContact O-CB 3.33Å; E170-R174 PolarHBondContact O-N 3.42Å; D171-R174 PolarHBondContact O-N 3.01Å; D171-R174 IonicContact OD1-CZ 3.31Å; D171-R174 VanDerWaalsContact OD1-CZ 3.31Å; D171-R174 IonicContact OD1-NH1 2.64Å; D171-R174 PolarHBondContact OD1-NH1 3.08Å; D171-R174 IonicContact OD1-NH2 3.63Å; M172-R174 VanDerWaalsContact C-N 3.33Å; M172-R174 PolarHBondContact O-N 3Å; R174-R177 PolarHBondContact O-N 3.45Å; R174-L178 HydrophobicContact CG-CD1 4.12Å; R174-L178 WeakPolarHBondContact O-CD1 3.44Å; R174-L178 PolarHBondContact O-N 3.26Å |
| 175 | R | 97.9 | Very high | 98.1 | Very high | 155 Ų | 155 | 112.9 Ų | 112.9 | 59% | 0.585 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 177.4 | -72.8 | 179.2 | -162.7 | 171.7 | 7.6 | 111.5 | D171 M172 R177 L178 E179 | D171-R175 WeakPolarHBondContact O-CB 3.25Å; D171-R175 VanDerWaalsContact O-CG 3.27Å; D171-R175 WeakPolarHBondContact O-CG 3.45Å; D171-R175 PolarHBondContact O-N 3.27Å; M172-R175 HydrophobicContact CE-CB 4.24Å; M172-R175 PolarHBondContact O-N 3.38Å; R175-R177 PolarHBondContact O-N 3.41Å; R175-L178 PolarHBondContact O-N 3.4Å; R175-E179 PolarHBondContact O-N 2.93Å |
| 176 | S | 98.1 | Very high | 98 | Very high | 64 Ų | 64 | 109.3 Ų | 109.3 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | M172 E173 L178 E179 C180 | M172-S176 WeakPolarHBondContact O-CB 3.04Å; M172-S176 PolarHBondContact O-N 2.88Å; E173-S176 PolarHBondContact O-N 2.83Å; S176-L178 VanDerWaalsContact C-N 3.34Å; S176-L178 PolarHBondContact O-N 2.87Å; S176-E179 PolarHBondContact O-N 3.34Å; S176-C180 PolarHBondContact O-N 3.13Å; S176-C180 PolarHBondContact O-SG 3.32Å; S176-C180 VanDerWaalsContact O-SG 3.38Å |
| 177 | R | 97.9 | Very high | 97.9 | Very high | 157 Ų | 157 | 109 Ų | 109 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 174.9 | -70.3 | 174.6 | -161.2 | -175.4 | 10.1 | 112.5 | E173 R174 R175 K181 | E173-R177 VanDerWaalsContact O-CG 3.27Å; E173-R177 WeakPolarHBondContact O-CG 3.32Å; E173-R177 PolarHBondContact O-N 3.43Å; E173-R177 IonicContact OE2-CZ 3.93Å; E173-R177 IonicContact OE2-NH2 2.92Å; E173-R177 PolarHBondContact OE2-NH2 2.91Å; R174-R177 PolarHBondContact O-N 3.45Å; R175-R177 PolarHBondContact O-N 3.41Å; R177-K181 WeakPolarHBondContact O-CG 3.34Å; R177-K181 PolarHBondContact O-N 3.31Å |
| 178 | L | 98 | Very high | 97.7 | Very high | 94 Ų | 94 | 106.9 Ų | 106.9 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 174.2 | -95.7 | 80.7 | 0 | 0 | 0 | 111 | R174 R175 S176 C180 K181 D182 | R174-L178 HydrophobicContact CG-CD1 4.12Å; R174-L178 WeakPolarHBondContact O-CD1 3.44Å; R174-L178 PolarHBondContact O-N 3.26Å; R175-L178 PolarHBondContact O-N 3.4Å; S176-L178 VanDerWaalsContact C-N 3.34Å; S176-L178 PolarHBondContact O-N 2.87Å; L178-C180 VanDerWaalsContact C-N 3.31Å; L178-C180 PolarHBondContact O-N 3.06Å; L178-K181 WeakPolarHBondContact O-CB 3.39Å; L178-K181 PolarHBondContact O-N 3.4Å; L178-D182 PolarHBondContact O-N 3.49Å |
| 179 | E | 98 | Very high | 97.5 | Very high | 141 Ų | 141 | 107.8 Ų | 107.8 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.6 | -41.9 | 179 | -174 | 175.9 | -164.9 | 0 | 0 | 112 | R175 S176 K181 D182 Y183 | R175-E179 PolarHBondContact O-N 2.93Å; S176-E179 PolarHBondContact O-N 3.34Å; E179-K181 PolarHBondContact O-N 3Å; E179-D182 PolarHBondContact O-N 3.47Å; E179-Y183 WeakPolarHBondContact O-CB 3.16Å; E179-Y183 PolarHBondContact O-N 3.26Å |
| 180 | C | 98.2 | Very high | 97.3 | Very high | 73 Ų | 73 | 107.5 Ų | 107.5 | 49% | 0.493 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 173.4 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | S176 L178 Y183 E184 | S176-C180 PolarHBondContact O-N 3.13Å; S176-C180 PolarHBondContact O-SG 3.32Å; S176-C180 VanDerWaalsContact O-SG 3.38Å; L178-C180 VanDerWaalsContact C-N 3.31Å; L178-C180 PolarHBondContact O-N 3.06Å; C180-Y183 PolarHBondContact O-N 3.21Å; C180-E184 WeakPolarHBondContact O-CG 3.47Å; C180-E184 PolarHBondContact O-N 3.03Å |
| 181 | K | 98.1 | Very high | 97 | Very high | 137 Ų | 137 | 107.6 Ų | 107.6 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 177.6 | -72.3 | 175.2 | -180 | -177.1 | 0 | 112 | R177 L178 E179 Y183 E184 Y185 | R177-K181 WeakPolarHBondContact O-CG 3.34Å; R177-K181 PolarHBondContact O-N 3.31Å; L178-K181 WeakPolarHBondContact O-CB 3.39Å; L178-K181 PolarHBondContact O-N 3.4Å; E179-K181 PolarHBondContact O-N 3Å; K181-Y183 VanDerWaalsContact C-N 3.33Å; K181-E184 PolarHBondContact O-N 3.32Å; K181-Y185 WeakPolarHBondContact O-CB 3.4Å; K181-Y185 PolarHBondContact O-N 3.41Å |
| 182 | D | 98 | Very high | 96.5 | Very high | 105 Ų | 105 | 110.2 Ų | 110.2 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 178.2 | -72.6 | -12.5 | 0 | 0 | 0 | 110.9 | L178 E179 Y185 A186 | L178-D182 PolarHBondContact O-N 3.49Å; E179-D182 PolarHBondContact O-N 3.47Å; D182-Y185 PolarHBondContact O-N 2.88Å; D182-A186 VanDerWaalsContact O-CB 3.31Å; D182-A186 WeakPolarHBondContact O-CB 3.23Å; D182-A186 PolarHBondContact O-N 3.19Å |
| 183 | Y | 97.7 | Very high | 95.7 | Very high | 164 Ų | 164 | 109 Ų | 109 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 172.9 | 177.7 | -97.6 | 0 | 0 | 0 | 112.1 | E179 C180 K181 Y185 A186 K187 | E179-Y183 WeakPolarHBondContact O-CB 3.16Å; E179-Y183 PolarHBondContact O-N 3.26Å; C180-Y183 PolarHBondContact O-N 3.21Å; K181-Y183 VanDerWaalsContact C-N 3.33Å; Y183-Y185 PolarHBondContact O-N 3.3Å; Y183-A186 PolarHBondContact O-N 2.85Å; Y183-K187 WeakPolarHBondContact O-CB 3.38Å; Y183-K187 PolarHBondContact O-N 3.2Å |
| 184 | E | 97.3 | Very high | 94.8 | Very high | 133 Ų | 133 | 108.9 Ų | 108.9 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.3 | -74.2 | 179.7 | 174 | 0 | 0 | 112 | C180 K181 K187 S188 | C180-E184 WeakPolarHBondContact O-CG 3.47Å; C180-E184 PolarHBondContact O-N 3.03Å; K181-E184 PolarHBondContact O-N 3.32Å; E184-K187 PolarHBondContact O-N 3.13Å; E184-S188 PolarHBondContact O-N 2.9Å |
| 185 | Y | 97.1 | Very high | 93.5 | Very high | 159 Ų | 159 | 106.9 Ų | 106.9 | 62% | 0.624 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -47.6 | 177.2 | -173 | -99 | 0 | 0 | 0 | 111.3 | K181 D182 Y183 K187 S188 L189 | K181-Y185 WeakPolarHBondContact O-CB 3.4Å; K181-Y185 PolarHBondContact O-N 3.41Å; D182-Y185 PolarHBondContact O-N 2.88Å; Y183-Y185 PolarHBondContact O-N 3.3Å; Y185-K187 VanDerWaalsContact C-N 3.31Å; Y185-K187 PolarHBondContact O-N 3.48Å; Y185-S188 PolarHBondContact O-N 3.5Å; Y185-S188 PolarHBondContact O-OG 3.4Å; Y185-L189 WeakPolarHBondContact O-CB 3.32Å; Y185-L189 PolarHBondContact O-N 3.02Å |
| 186 | A | 96.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 103.4 Ų | 103.4 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D182 Y183 L189 T190 | D182-A186 VanDerWaalsContact O-CB 3.31Å; D182-A186 WeakPolarHBondContact O-CB 3.23Å; D182-A186 PolarHBondContact O-N 3.19Å; Y183-A186 PolarHBondContact O-N 2.85Å; A186-L189 PolarHBondContact O-N 3.35Å; A186-T190 WeakPolarHBondContact O-CG2 3.41Å; A186-T190 PolarHBondContact O-N 3.48Å; A186-T190 VanDerWaalsContact O-N 3.11Å; A186-T190 PolarHBondContact O-OG1 2.92Å |
| 187 | K | 96.6 | Very high | 89.5 | Confident | 106 Ų | 106 | 105 Ų | 105 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.9 | -49.1 | 174.3 | -174.2 | 177.9 | 173.9 | -175.9 | 0 | 111.5 | Y183 E184 Y185 L189 T190 E191 | Y183-K187 WeakPolarHBondContact O-CB 3.38Å; Y183-K187 PolarHBondContact O-N 3.2Å; E184-K187 PolarHBondContact O-N 3.13Å; Y185-K187 VanDerWaalsContact C-N 3.31Å; Y185-K187 PolarHBondContact O-N 3.48Å; K187-L189 VanDerWaalsContact C-N 3.28Å; K187-L189 PolarHBondContact O-N 3.02Å; K187-T190 PolarHBondContact O-N 2.86Å; K187-T190 PolarHBondContact O-OG1 2.85Å; K187-E191 WeakPolarHBondContact CE-OE1 3.45Å; K187-E191 WeakPolarHBondContact O-CG 3.32Å; K187-E191 PolarHBondContact O-N 3.37Å |
| 188 | S | 95.4 | Very high | 87.3 | Confident | 45 Ų | 45 | 103 Ų | 103 | 32% | 0.315 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.5 | -36.4 | 177.7 | 76.2 | 0 | 0 | 0 | 0 | 113 | E184 Y185 E191 N192 | E184-S188 PolarHBondContact O-N 2.9Å; Y185-S188 PolarHBondContact O-N 3.5Å; Y185-S188 PolarHBondContact O-OG 3.4Å; S188-E191 PolarHBondContact O-N 3.43Å; S188-N192 WeakPolarHBondContact O-CB 3.5Å; S188-N192 PolarHBondContact O-N 3.47Å; S188-N192 PolarHBondContact O-ND2 3.35Å |
| 189 | L | 93.8 | Very high | 85.3 | Confident | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -43 | 177.8 | -167.4 | 71.1 | 0 | 0 | 0 | 111.2 | Y185 A186 K187 S193 | Y185-L189 WeakPolarHBondContact O-CB 3.32Å; Y185-L189 PolarHBondContact O-N 3.02Å; A186-L189 PolarHBondContact O-N 3.35Å; K187-L189 VanDerWaalsContact C-N 3.28Å; K187-L189 PolarHBondContact O-N 3.02Å; L189-S193 WeakPolarHBondContact O-CB 3.47Å; L189-S193 PolarHBondContact O-N 2.96Å; L189-S193 PolarHBondContact O-OG 3.48Å |
| 190 | T | 93.3 | Very high | 83.2 | Confident | 81 Ų | 81 | 104.4 Ų | 104.4 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.3 | -40.5 | 177.9 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | A186 K187 S193 S194 | A186-T190 WeakPolarHBondContact O-CG2 3.41Å; A186-T190 PolarHBondContact O-N 3.48Å; A186-T190 VanDerWaalsContact O-N 3.11Å; A186-T190 PolarHBondContact O-OG1 2.92Å; K187-T190 PolarHBondContact O-N 2.86Å; K187-T190 PolarHBondContact O-OG1 2.85Å; T190-S193 PolarHBondContact O-N 3.5Å; T190-S193 PolarHBondContact O-OG 3.09Å; T190-S194 PolarHBondContact O-N 3.13Å; T190-S194 VanDerWaalsContact O-N 3.13Å; T190-S194 PolarHBondContact O-OG 3.37Å |
| 191 | E | 92.8 | Very high | 81.1 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 50% | 0.495 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.2 | -42.2 | 177 | -70.7 | 175.1 | -177.8 | 0 | 0 | 112.4 | K187 S188 S194 S195 | K187-E191 WeakPolarHBondContact CE-OE1 3.45Å; K187-E191 WeakPolarHBondContact O-CG 3.32Å; K187-E191 PolarHBondContact O-N 3.37Å; S188-E191 PolarHBondContact O-N 3.43Å; E191-S194 PolarHBondContact O-N 2.94Å; E191-S195 PolarHBondContact O-N 3.31Å; E191-S195 PolarHBondContact O-OG 3.45Å |
| 192 | N | 87.7 | Confident | 78.7 | Confident | 104 Ų | 104 | 107.4 Ų | 107.4 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.5 | -35.6 | 176.5 | -70.9 | -18 | 0 | 0 | 0 | 112.2 | S188 S194 S195 S196 | S188-N192 WeakPolarHBondContact O-CB 3.5Å; S188-N192 PolarHBondContact O-N 3.47Å; S188-N192 PolarHBondContact O-ND2 3.35Å; N192-S194 VanDerWaalsContact C-N 3.3Å; N192-S194 PolarHBondContact O-N 3.47Å; N192-S195 PolarHBondContact O-OG 3.17Å; N192-S196 WeakPolarHBondContact O-CB 3.48Å; N192-S196 PolarHBondContact O-N 3.49Å; N192-S196 VanDerWaalsContact O-N 3.15Å |
| 193 | S | 80.2 | Confident | 76.7 | Confident | 83 Ų | 83 | 106.6 Ų | 106.6 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.2 | -30 | 175.6 | 73 | 0 | 0 | 0 | 0 | 113.1 | L189 T190 | L189-S193 WeakPolarHBondContact O-CB 3.47Å; L189-S193 PolarHBondContact O-N 2.96Å; L189-S193 PolarHBondContact O-OG 3.48Å; T190-S193 PolarHBondContact O-N 3.5Å; T190-S193 PolarHBondContact O-OG 3.09Å |
| 194 | S | 79.5 | Confident | 74.9 | Confident | 93 Ų | 93 | 104.9 Ų | 104.9 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -78.3 | -31.1 | -179.5 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | T190 E191 N192 | T190-S194 PolarHBondContact O-N 3.13Å; T190-S194 VanDerWaalsContact O-N 3.13Å; T190-S194 PolarHBondContact O-OG 3.37Å; E191-S194 PolarHBondContact O-N 2.94Å; N192-S194 VanDerWaalsContact C-N 3.3Å; N192-S194 PolarHBondContact O-N 3.47Å |
| 195 | S | 72.1 | Confident | 72.6 | Confident | 91 Ų | 91 | 107.2 Ų | 107.2 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.3 | -26.1 | -179.2 | 46.1 | 0 | 0 | 0 | 0 | 113.2 | E191 N192 S197 | E191-S195 PolarHBondContact O-N 3.31Å; E191-S195 PolarHBondContact O-OG 3.45Å; N192-S195 PolarHBondContact O-OG 3.17Å; S195-S197 PolarHBondContact O-N 3.11Å; S195-S197 VanDerWaalsContact O-N 3.08Å |
| 196 | S | 57.2 | Low | 70.2 | Confident | 82 Ų | 82 | 105.7 Ų | 105.7 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | trans | -85.1 | 55.5 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | N192 T198 | N192-S196 WeakPolarHBondContact O-CB 3.48Å; N192-S196 PolarHBondContact O-N 3.49Å; N192-S196 VanDerWaalsContact O-N 3.15Å; S196-T198 PolarHBondContact O-N 3.25Å | ||
| 197 | S | 54.8 | Low | 67.9 | Low | 97 Ų | 97 | 107.7 Ų | 107.7 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | -81 | 62 | 167.8 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | S195 | S195-S197 PolarHBondContact O-N 3.11Å; S195-S197 VanDerWaalsContact O-N 3.08Å | ||
| 198 | T | 51.7 | Low | 65.5 | Low | 114 Ų | 114 | 108.4 Ų | 108.4 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | trans | -132.4 | 87.8 | 152.7 | 43.1 | 0 | 0 | 0 | 0 | 109.4 | S196 I200 | S196-T198 PolarHBondContact O-N 3.25Å; T198-I200 PolarHBondContact O-N 2.83Å | ||
| 199 | P | 54.5 | Low | 63 | Low | 116 Ų | 116 | 112.8 Ų | 112.8 | 75% | 0.753 | 68% | 0.683 | S | S | * | * | trans | -78 | 87.5 | 171.4 | 32 | -30.7 | 0 | 0 | 0 | 108.5 | F201 | P199-F201 PolarHBondContact O-N 3.31Å; P199-F201 VanDerWaalsContact O-N 3.07Å | ||
| 200 | I | 53.9 | Low | 60.4 | Low | 149 Ų | 149 | 111.2 Ų | 111.2 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -82.5 | 75.9 | 155.7 | -61.1 | 179.6 | 0 | 0 | 0 | 106.3 | T198 S202 | T198-I200 PolarHBondContact O-N 2.83Å; I200-S202 PolarHBondContact O-N 2.94Å | ||
| 201 | F | 55 | Low | 58.1 | Low | 181 Ų | 181 | 118.5 Ų | 118.5 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | -71.7 | 83 | 168.5 | -163.5 | -93.1 | 0 | 0 | 0 | 107.3 | P199 P203 | P199-F201 PolarHBondContact O-N 3.31Å; P199-F201 VanDerWaalsContact O-N 3.07Å; F201-P203 WeakPolarHBondContact O-CD 3.31Å | ||
| 202 | S | 48.3 | Very low | 56 | Low | 92 Ų | 92 | 119.1 Ų | 119.1 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | trans | -85 | 113.9 | 161.9 | -64.7 | 0 | 0 | 0 | 0 | 107.1 | I200 P204 | I200-S202 PolarHBondContact O-N 2.94Å; S202-P204 WeakPolarHBondContact O-CD 3.31Å | ||
| 203 | P | 55.8 | Low | 53.9 | Low | 88 Ų | 88 | 119.3 Ų | 119.3 | 57% | 0.571 | 74% | 0.738 | S | S | * | * | trans | -66.1 | 127.5 | 179.1 | -6.6 | 20.1 | 0 | 0 | 0 | 108.6 | F201 Q205 | F201-P203 WeakPolarHBondContact O-CD 3.31Å; P203-Q205 VanDerWaalsContact C-N 3.34Å; P203-Q205 PolarHBondContact O-N 2.72Å | ||
| 204 | P | 59 | Low | 52.3 | Low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -67 | 100.4 | 169.7 | 25.3 | -29.1 | 0 | 0 | 0 | 107.7 | S202 | S202-P204 WeakPolarHBondContact O-CD 3.31Š| ||
| 205 | Q | 49 | Very low | 50.7 | Low | 183 Ų | 183 | 120.5 Ų | 120.5 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -56.5 | 141.3 | 166.7 | -72.2 | -172 | -7.6 | 0 | 0 | 109.2 | P203 A207 | P203-Q205 VanDerWaalsContact C-N 3.34Å; P203-Q205 PolarHBondContact O-N 2.72Å; Q205-A207 PolarHBondContact O-N 3.2Å | ||
| 206 | S | 45.9 | Very low | 49.5 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | trans | -40.5 | 120.1 | 174.6 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 207 | A | 50 | Low | 49.1 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -147.6 | 89.2 | 152 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q205 | Q205-A207 PolarHBondContact O-N 3.2Š| ||
| 208 | T | 46.1 | Very low | 48.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -33.8 | 151.2 | 141.7 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 209 | T | 43.1 | Very low | 48.4 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 101.2 | 128.5 | 162 | 71 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 210 | G | 39 | Very low | 48 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 99 | 92 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 211 | Y | 44.6 | Very low | 47.5 | Very low | 234 Ų | 234 | 130.6 Ų | 130.6 | 92% | 0.918 | 78% | 0.782 | S | S | * | * | 42.8 | 96.3 | 58.4 | -127.5 | -82 | 0 | 0 | 0 | 112.3 | |||||
| 212 | S | 47.6 | Very low | 47.5 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 147.2 | 141.5 | 156.8 | -72.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 213 | S | 44.7 | Very low | 47.4 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | cis | -179.8 | 144 | -13 | -171.2 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 214 | A | 45.6 | Very low | 46.9 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 42 | 108.3 | 154 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 215 | S | 46.1 | Very low | 46.3 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -159.6 | 90.2 | 132.7 | -144 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 216 | E | 47.8 | Very low | 46.6 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 43 | 86.1 | 96.1 | -70.6 | -168.5 | 171.5 | 0 | 0 | 111.8 | |||||
| 217 | L | 48.7 | Very low | 47 | Very low | 178 Ų | 178 | 126 Ų | 126 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -139.7 | 110.1 | 134.8 | -96 | 171.1 | 0 | 0 | 0 | 107.7 | ||||
| 218 | S | 42.8 | Very low | 47.2 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -78.9 | 143.9 | -168.8 | 69 | 0 | 0 | 0 | 0 | 112 | ||||
| 219 | I | 49.3 | Very low | 47.6 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | 56.7 | 103.8 | 132.5 | -51.6 | 161.1 | 0 | 0 | 0 | 115.4 | ||||
| 220 | I | 46.6 | Very low | 48.3 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | -143.2 | 98.2 | 102.5 | -73 | 123.2 | 0 | 0 | 0 | 106.3 | P222 | I220-P222 VanDerWaalsContact O-CD 3.31Å; I220-P222 WeakPolarHBondContact O-CD 3.18Å | |||
| 221 | S | 43.5 | Very low | 49.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -86.4 | 112.6 | 160.7 | -72.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 222 | P | 54.9 | Low | 49.6 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -82.9 | 112.9 | 151.9 | 30.2 | -22.8 | 0 | 0 | 0 | 107.5 | I220 G224 | I220-P222 VanDerWaalsContact O-CD 3.31Å; I220-P222 WeakPolarHBondContact O-CD 3.18Å; P222-G224 PolarHBondContact O-N 2.91Å; P222-G224 VanDerWaalsContact O-N 3.12Å | ||
| 223 | N | 44.9 | Very low | 50.2 | Low | 170 Ų | 170 | 125.3 Ų | 125.3 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | trans | -17.2 | 104.7 | 169.4 | -75.4 | -22.2 | 0 | 0 | 0 | 114.5 | ||||
| 224 | G | 45 | Very low | 51.3 | Low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | trans | -124.6 | 84.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P222 | P222-G224 PolarHBondContact O-N 2.91Å; P222-G224 VanDerWaalsContact O-N 3.12Å | ||
| 225 | D | 46.7 | Very low | 52.7 | Low | 165 Ų | 165 | 120.2 Ų | 120.2 | 88% | 0.882 | 71% | 0.71 | S | S | * | * | trans | -149.5 | 61.4 | 164.3 | -84.4 | -32 | 0 | 0 | 0 | 108.5 | ||||
| 226 | S | 55.3 | Low | 54.1 | Low | 88 Ų | 88 | 119.4 Ų | 119.4 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | trans | -130.8 | 1.9 | 165.2 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | S228 | S226-S228 PolarHBondContact O-N 2.81Š| ||
| 227 | S | 55.6 | Low | 55.4 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -13.7 | -167.8 | -58.6 | 0 | 0 | 0 | 0 | 115 | ||
| 228 | S | 54 | Low | 56.6 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -9.4 | 178.7 | 44.8 | 0 | 0 | 0 | 0 | 114.5 | S226 | S226-S228 PolarHBondContact O-N 2.81Š|
| 229 | L | 54.4 | Low | 58.4 | Low | 124 Ų | 124 | 118.1 Ų | 118.1 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -23.2 | 174.4 | -94.7 | 167.9 | 0 | 0 | 0 | 113.8 | L231 L232 E233 | L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 3.44Å; L229-L232 PolarHBondContact O-N 2.95Å; L229-E233 PolarHBondContact O-N 3.39Å |
| 230 | N | 58.4 | Low | 60.1 | Low | 101 Ų | 101 | 114.9 Ų | 114.9 | 54% | 0.54 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -69.6 | -23.4 | -173 | -68.3 | -24.4 | 0 | 0 | 0 | 114.2 | G234 | N230-G234 PolarHBondContact O-N 3.45Å |
| 231 | L | 57 | Low | 61.7 | Low | 164 Ų | 164 | 111.1 Ų | 111.1 | 86% | 0.859 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76 | -27.7 | 179.8 | -129.1 | 109.6 | 0 | 0 | 0 | 112.7 | L229 | L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 3.44Å |
| 232 | L | 52.9 | Low | 63.3 | Low | 124 Ų | 124 | 112.9 Ų | 112.9 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -83.4 | -32.2 | 177.6 | -161.6 | 69 | 0 | 0 | 0 | 111.6 | L229 G234 S235 V236 | L229-L232 PolarHBondContact O-N 2.95Å; L232-G234 PolarHBondContact O-N 2.95Å; L232-S235 PolarHBondContact O-N 3.28Å; L232-V236 PolarHBondContact O-N 2.95Å |
| 233 | E | 61 | Low | 64.5 | Low | 131 Ų | 131 | 113.1 Ų | 113.1 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.3 | -34.8 | 179.2 | -160.5 | 166.1 | -160.1 | 0 | 0 | 112.4 | L229 S235 V236 R237 | L229-E233 PolarHBondContact O-N 3.39Å; E233-S235 VanDerWaalsContact C-N 3.31Å; E233-S235 PolarHBondContact O-N 3.42Å; E233-V236 PolarHBondContact O-N 2.8Å; E233-R237 PolarHBondContact O-N 3.06Å |
| 234 | G | 67.1 | Low | 66.4 | Low | 40 Ų | 40 | 107.5 Ų | 107.5 | 41% | 0.412 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58 | -40.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N230 L232 R237 E238 | N230-G234 PolarHBondContact O-N 3.45Å; L232-G234 PolarHBondContact O-N 2.95Å; G234-R237 PolarHBondContact O-N 3.38Å; G234-E238 WeakPolarHBondContact O-CB 3.47Å; G234-E238 PolarHBondContact O-N 2.94Å |
| 235 | S | 74.5 | Confident | 68.3 | Low | 49 Ų | 49 | 110.1 Ų | 110.1 | 34% | 0.343 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.2 | -34.9 | 179.3 | -172.1 | 0 | 0 | 0 | 0 | 112.8 | L232 E233 K239 | L232-S235 PolarHBondContact O-N 3.28Å; E233-S235 VanDerWaalsContact C-N 3.31Å; E233-S235 PolarHBondContact O-N 3.42Å; S235-K239 WeakPolarHBondContact O-CB 3.42Å; S235-K239 VanDerWaalsContact O-CG 3.26Å; S235-K239 WeakPolarHBondContact O-CG 3.44Å; S235-K239 PolarHBondContact O-N 3.03Å; S235-K239 VanDerWaalsContact O-N 3.12Å |
| 236 | V | 74.8 | Confident | 70 | Confident | 97 Ų | 97 | 107.3 Ų | 107.3 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.2 | -42.4 | 177 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | L232 E233 K239 S240 | L232-V236 PolarHBondContact O-N 2.95Å; E233-V236 PolarHBondContact O-N 2.8Å; V236-K239 PolarHBondContact O-N 3.44Å; V236-S240 PolarHBondContact O-N 3.28Å |
| 237 | R | 75.1 | Confident | 71.7 | Confident | 185 Ų | 185 | 106.4 Ų | 106.4 | 70% | 0.698 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.9 | -42.6 | 177.9 | -166.9 | 176.4 | 178.4 | -158.7 | -1.8 | 111.9 | E233 G234 K239 S240 I241 | E233-R237 PolarHBondContact O-N 3.06Å; G234-R237 PolarHBondContact O-N 3.38Å; R237-K239 PolarHBondContact O-N 3.5Å; R237-S240 WeakPolarHBondContact O-CB 3.31Å; R237-S240 PolarHBondContact O-N 2.81Å; R237-I241 HydrophobicContact CG-CD1 4.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.33Å; R237-I241 PolarHBondContact O-N 3.39Å |
| 238 | E | 75 | Confident | 73.6 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -39.5 | 177.7 | -163.2 | -178.4 | 171.1 | 0 | 0 | 112 | G234 S240 I241 R242 | G234-E238 WeakPolarHBondContact O-CB 3.47Å; G234-E238 PolarHBondContact O-N 2.94Å; E238-S240 VanDerWaalsContact C-N 3.34Å; E238-S240 PolarHBondContact O-N 2.93Å; E238-I241 PolarHBondContact O-N 3.19Å; E238-R242 WeakPolarHBondContact O-CG 3.33Å; E238-R242 PolarHBondContact O-N 3.39Å; E238-R242 IonicContact OE1-CZ 3.43Å; E238-R242 IonicContact OE1-NE 2.81Å; E238-R242 IonicContact OE1-NH2 3.55Å; E238-R242 PolarHBondContact OE1-NH2 3.36Å |
| 239 | K | 80.6 | Confident | 75.4 | Confident | 135 Ų | 135 | 108.5 Ų | 108.5 | 59% | 0.587 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -38.8 | 172.2 | -75 | 173.1 | -177.4 | 174.3 | 0 | 112.3 | S235 V236 R237 L243 | S235-K239 WeakPolarHBondContact O-CB 3.42Å; S235-K239 VanDerWaalsContact O-CG 3.26Å; S235-K239 WeakPolarHBondContact O-CG 3.44Å; S235-K239 PolarHBondContact O-N 3.03Å; S235-K239 VanDerWaalsContact O-N 3.12Å; V236-K239 PolarHBondContact O-N 3.44Å; R237-K239 PolarHBondContact O-N 3.5Å; K239-L243 WeakPolarHBondContact O-CB 3.33Å; K239-L243 VanDerWaalsContact O-CG 3.28Å; K239-L243 WeakPolarHBondContact O-CG 3.43Å; K239-L243 PolarHBondContact O-N 3.25Å |
| 240 | S | 83.7 | Confident | 77.2 | Confident | 75 Ų | 75 | 108.8 Ų | 108.8 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -39 | 177.5 | -166.9 | 0 | 0 | 0 | 0 | 112.3 | V236 R237 E238 L243 A244 | V236-S240 PolarHBondContact O-N 3.28Å; R237-S240 WeakPolarHBondContact O-CB 3.31Å; R237-S240 PolarHBondContact O-N 2.81Å; E238-S240 VanDerWaalsContact C-N 3.34Å; E238-S240 PolarHBondContact O-N 2.93Å; S240-L243 PolarHBondContact O-N 3.16Å; S240-A244 PolarHBondContact O-N 2.92Å; S240-A244 VanDerWaalsContact O-N 3.07Å |
| 241 | I | 81.7 | Confident | 78.8 | Confident | 82 Ų | 82 | 108.6 Ų | 108.6 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.1 | -47.6 | 177.3 | -67.8 | 165.7 | 0 | 0 | 0 | 110.1 | R237 E238 L243 A244 E245 | R237-I241 HydrophobicContact CG-CD1 4.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.33Å; R237-I241 PolarHBondContact O-N 3.39Å; E238-I241 PolarHBondContact O-N 3.19Å; I241-L243 VanDerWaalsContact C-N 3.29Å; I241-L243 PolarHBondContact O-N 3.43Å; I241-A244 WeakPolarHBondContact O-CB 3.46Å; I241-A244 PolarHBondContact O-N 2.96Å; I241-E245 HydrophobicContact CG2-CG 4.46Å; I241-E245 WeakPolarHBondContact O-CG 3.33Å; I241-E245 PolarHBondContact O-N 3.3Å |
| 242 | R | 76.8 | Confident | 80.7 | Confident | 146 Ų | 146 | 103.4 Ų | 103.4 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -34 | 177.6 | -67.8 | -175 | -167.5 | -171.9 | 5 | 113.1 | E238 L246 | E238-R242 WeakPolarHBondContact O-CG 3.33Å; E238-R242 PolarHBondContact O-N 3.39Å; E238-R242 IonicContact OE1-CZ 3.43Å; E238-R242 IonicContact OE1-NE 2.81Å; E238-R242 IonicContact OE1-NH2 3.55Å; E238-R242 PolarHBondContact OE1-NH2 3.36Å; R242-L246 VanDerWaalsContact O-CG 3.3Å; R242-L246 WeakPolarHBondContact O-CG 3.38Å; R242-L246 PolarHBondContact O-N 3.31Å |
| 243 | L | 79.5 | Confident | 82.7 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.1 | -35.8 | 174.2 | -74 | 172.8 | 0 | 0 | 0 | 112.3 | K239 S240 I241 S247 | K239-L243 WeakPolarHBondContact O-CB 3.33Å; K239-L243 VanDerWaalsContact O-CG 3.28Å; K239-L243 WeakPolarHBondContact O-CG 3.43Å; K239-L243 PolarHBondContact O-N 3.25Å; S240-L243 PolarHBondContact O-N 3.16Å; I241-L243 VanDerWaalsContact C-N 3.29Å; I241-L243 PolarHBondContact O-N 3.43Å; L243-S247 PolarHBondContact O-N 3.31Å; L243-S247 VanDerWaalsContact O-N 3.1Å |
| 244 | A | 86.1 | Confident | 84.2 | Confident | 51 Ų | 51 | 103.7 Ų | 103.7 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S240 I241 L246 S247 D248 | S240-A244 PolarHBondContact O-N 2.92Å; S240-A244 VanDerWaalsContact O-N 3.07Å; I241-A244 WeakPolarHBondContact O-CB 3.46Å; I241-A244 PolarHBondContact O-N 2.96Å; A244-L246 VanDerWaalsContact C-N 3.34Å; A244-L246 PolarHBondContact O-N 2.9Å; A244-S247 WeakPolarHBondContact O-CB 3.42Å; A244-S247 PolarHBondContact O-N 2.87Å; A244-S247 VanDerWaalsContact O-N 3.14Å; A244-D248 PolarHBondContact O-N 3.46Å |
| 245 | E | 84.8 | Confident | 85.6 | Confident | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 175.9 | -70.1 | 172.1 | 171.3 | 0 | 0 | 112.5 | I241 D248 Y249 | I241-E245 HydrophobicContact CG2-CG 4.46Å; I241-E245 WeakPolarHBondContact O-CG 3.33Å; I241-E245 PolarHBondContact O-N 3.3Å; E245-D248 PolarHBondContact O-N 3.38Å; E245-Y249 WeakPolarHBondContact O-CB 3.31Å; E245-Y249 PolarHBondContact O-N 3.44Å |
| 246 | L | 82.5 | Confident | 86.6 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 174.3 | -73.8 | 171.5 | 0 | 0 | 0 | 112.1 | R242 A244 Y249 E250 | R242-L246 VanDerWaalsContact O-CG 3.3Å; R242-L246 WeakPolarHBondContact O-CG 3.38Å; R242-L246 PolarHBondContact O-N 3.31Å; A244-L246 VanDerWaalsContact C-N 3.34Å; A244-L246 PolarHBondContact O-N 2.9Å; L246-Y249 PolarHBondContact O-N 2.99Å; L246-E250 PolarHBondContact O-N 3.47Å |
| 247 | S | 90.9 | Very high | 87.6 | Confident | 69 Ų | 69 | 110 Ų | 110 | 48% | 0.483 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | L243 A244 E250 L251 | L243-S247 PolarHBondContact O-N 3.31Å; L243-S247 VanDerWaalsContact O-N 3.1Å; A244-S247 WeakPolarHBondContact O-CB 3.42Å; A244-S247 PolarHBondContact O-N 2.87Å; A244-S247 VanDerWaalsContact O-N 3.14Å; S247-E250 PolarHBondContact O-N 2.86Å; S247-L251 WeakPolarHBondContact O-CB 3.49Å; S247-L251 PolarHBondContact O-N 3.01Å |
| 248 | D | 94.2 | Very high | 88.5 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.3 | -37.2 | 178.9 | -72.5 | -11.6 | 0 | 0 | 0 | 111.6 | A244 E245 L251 A252 | A244-D248 PolarHBondContact O-N 3.46Å; E245-D248 PolarHBondContact O-N 3.38Å; D248-L251 PolarHBondContact O-N 3.29Å; D248-A252 WeakPolarHBondContact O-CB 3.37Å; D248-A252 PolarHBondContact O-N 2.89Å |
| 249 | Y | 91.7 | Very high | 89.4 | Confident | 158 Ų | 158 | 109.8 Ų | 109.8 | 62% | 0.62 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 172.7 | -178.5 | -99 | 0 | 0 | 0 | 112.1 | E245 L246 L251 A252 L253 | E245-Y249 WeakPolarHBondContact O-CB 3.31Å; E245-Y249 PolarHBondContact O-N 3.44Å; L246-Y249 PolarHBondContact O-N 2.99Å; Y249-L251 VanDerWaalsContact C-N 3.32Å; Y249-L251 PolarHBondContact O-N 2.84Å; Y249-A252 PolarHBondContact O-N 2.97Å; Y249-L253 WeakPolarHBondContact O-CB 3.48Å; Y249-L253 PolarHBondContact O-N 2.76Å |
| 250 | E | 93.2 | Very high | 90 | Very high | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | 174.6 | -78 | -173.8 | 175.6 | 0 | 0 | 112.3 | L246 S247 L253 R254 | L246-E250 PolarHBondContact O-N 3.47Å; S247-E250 PolarHBondContact O-N 2.86Å; E250-L253 PolarHBondContact O-N 3.26Å; E250-R254 PolarHBondContact O-N 2.98Å |
| 251 | L | 92.6 | Very high | 90.4 | Very high | 97 Ų | 97 | 106.3 Ų | 106.3 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.9 | -177.6 | 64 | 0 | 0 | 0 | 111.6 | S247 D248 Y249 L253 R254 L255 | S247-L251 WeakPolarHBondContact O-CB 3.49Å; S247-L251 PolarHBondContact O-N 3.01Å; D248-L251 PolarHBondContact O-N 3.29Å; Y249-L251 VanDerWaalsContact C-N 3.32Å; Y249-L251 PolarHBondContact O-N 2.84Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.25Å; L251-R254 PolarHBondContact O-N 3.45Å; L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.94Å |
| 252 | A | 95.8 | Very high | 90.9 | Very high | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D248 Y249 R254 L255 Q256 | D248-A252 WeakPolarHBondContact O-CB 3.37Å; D248-A252 PolarHBondContact O-N 2.89Å; Y249-A252 PolarHBondContact O-N 2.97Å; A252-R254 VanDerWaalsContact C-N 3.34Å; A252-R254 PolarHBondContact O-N 3.45Å; A252-L255 PolarHBondContact O-N 2.89Å; A252-Q256 WeakPolarHBondContact O-CB 3.38Å; A252-Q256 PolarHBondContact O-N 2.93Å |
| 253 | L | 95.4 | Very high | 91.5 | Very high | 77 Ų | 77 | 100.7 Ų | 100.7 | 40% | 0.403 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.4 | -153.3 | 83.3 | 0 | 0 | 0 | 111.8 | Y249 E250 L251 N257 | Y249-L253 WeakPolarHBondContact O-CB 3.48Å; Y249-L253 PolarHBondContact O-N 2.76Å; E250-L253 PolarHBondContact O-N 3.26Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.25Å; L253-N257 VanDerWaalsContact O-CG 3.29Å; L253-N257 PolarHBondContact O-N 2.88Å; L253-N257 VanDerWaalsContact O-N 3.08Å; L253-N257 PolarHBondContact O-ND2 3.45Å; L253-N257 VanDerWaalsContact O-ND2 3.14Å |
| 254 | R | 92.8 | Very high | 92.1 | Very high | 185 Ų | 185 | 99 Ų | 99 | 70% | 0.698 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -47.1 | 173.8 | -91.5 | -175.3 | 169.6 | 148.7 | 0.1 | 112.4 | E250 L251 A252 Q256 N257 E258 | E250-R254 PolarHBondContact O-N 2.98Å; L251-R254 PolarHBondContact O-N 3.45Å; A252-R254 VanDerWaalsContact C-N 3.34Å; A252-R254 PolarHBondContact O-N 3.45Å; R254-Q256 VanDerWaalsContact C-N 3.31Å; R254-Q256 PolarHBondContact O-N 3.46Å; R254-N257 PolarHBondContact O-N 3.42Å; R254-E258 WeakPolarHBondContact O-CB 3.49Å; R254-E258 PolarHBondContact O-N 2.96Å |
| 255 | L | 95.2 | Very high | 92.2 | Very high | 100 Ų | 100 | 101.1 Ų | 101.1 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 178.3 | -76.4 | 170.1 | 0 | 0 | 0 | 111.6 | L251 A252 N257 E258 E259 | L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.94Å; A252-L255 PolarHBondContact O-N 2.89Å; L255-N257 VanDerWaalsContact C-N 3.35Å; L255-N257 PolarHBondContact O-N 3.46Å; L255-E258 PolarHBondContact O-N 3.33Å; L255-E259 WeakPolarHBondContact O-CB 3.45Å; L255-E259 PolarHBondContact O-N 3.44Å |
| 256 | Q | 96.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 176 | -172.3 | 175.9 | 23.8 | 0 | 0 | 112.2 | A252 R254 A260 | A252-Q256 WeakPolarHBondContact O-CB 3.38Å; A252-Q256 PolarHBondContact O-N 2.93Å; R254-Q256 VanDerWaalsContact C-N 3.31Å; R254-Q256 PolarHBondContact O-N 3.46Å; Q256-A260 WeakPolarHBondContact O-CB 3.35Å; Q256-A260 PolarHBondContact O-N 3.25Å |
| 257 | N | 94.9 | Very high | 92.5 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 175.4 | -73.6 | -31.7 | 0 | 0 | 0 | 112 | L253 R254 L255 A260 C261 | L253-N257 VanDerWaalsContact O-CG 3.29Å; L253-N257 PolarHBondContact O-N 2.88Å; L253-N257 VanDerWaalsContact O-N 3.08Å; L253-N257 PolarHBondContact O-ND2 3.45Å; L253-N257 VanDerWaalsContact O-ND2 3.14Å; R254-N257 PolarHBondContact O-N 3.42Å; L255-N257 VanDerWaalsContact C-N 3.35Å; L255-N257 PolarHBondContact O-N 3.46Å; N257-A260 PolarHBondContact O-N 3.25Å; N257-C261 PolarHBondContact O-N 3.32Å; N257-C261 PolarHBondContact O-SG 2.99Å; N257-C261 VanDerWaalsContact O-SG 3.35Å |
| 258 | E | 94 | Very high | 92.4 | Very high | 134 Ų | 134 | 104.4 Ų | 104.4 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 177.2 | -168.8 | 172.2 | -178.4 | 0 | 0 | 111.7 | R254 L255 C261 A262 | R254-E258 WeakPolarHBondContact O-CB 3.49Å; R254-E258 PolarHBondContact O-N 2.96Å; L255-E258 PolarHBondContact O-N 3.33Å; E258-C261 PolarHBondContact O-N 2.94Å; E258-A262 WeakPolarHBondContact O-CB 3.4Å; E258-A262 PolarHBondContact O-N 2.72Å |
| 259 | E | 95.2 | Very high | 92.1 | Very high | 147 Ų | 147 | 105.8 Ų | 105.8 | 69% | 0.687 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.5 | -41.4 | 173.4 | -172.3 | 175.5 | -166.8 | 0 | 0 | 111.7 | L255 A262 A263 | L255-E259 WeakPolarHBondContact O-CB 3.45Å; L255-E259 PolarHBondContact O-N 3.44Å; E259-A262 PolarHBondContact O-N 2.95Å; E259-A263 WeakPolarHBondContact O-CB 3.21Å; E259-A263 PolarHBondContact O-N 2.86Å |
| 260 | A | 93.7 | Very high | 91.8 | Very high | 56 Ų | 56 | 105.8 Ų | 105.8 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q256 N257 V264 | Q256-A260 WeakPolarHBondContact O-CB 3.35Å; Q256-A260 PolarHBondContact O-N 3.25Å; N257-A260 PolarHBondContact O-N 3.25Å; A260-V264 WeakPolarHBondContact O-CG2 3.5Å; A260-V264 PolarHBondContact O-N 3.36Å |
| 261 | C | 91.4 | Very high | 91.4 | Very high | 81 Ų | 81 | 104 Ų | 104 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 174.4 | -73.1 | 0 | 0 | 0 | 0 | 112 | N257 E258 A263 V264 D265 | N257-C261 PolarHBondContact O-N 3.32Å; N257-C261 PolarHBondContact O-SG 2.99Å; N257-C261 VanDerWaalsContact O-SG 3.35Å; E258-C261 PolarHBondContact O-N 2.94Å; C261-A263 VanDerWaalsContact C-N 3.3Å; C261-A263 PolarHBondContact O-N 2.91Å; C261-V264 PolarHBondContact O-N 3.4Å; C261-V264 VanDerWaalsContact O-N 3.17Å; C261-D265 PolarHBondContact O-N 3.18Å; C261-D265 VanDerWaalsContact O-N 3.08Å |
| 262 | A | 91.4 | Very high | 91 | Very high | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E258 E259 V264 D265 E266 | E258-A262 WeakPolarHBondContact O-CB 3.4Å; E258-A262 PolarHBondContact O-N 2.72Å; E259-A262 PolarHBondContact O-N 2.95Å; A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 PolarHBondContact O-N 2.9Å; A262-D265 PolarHBondContact O-N 3.17Å; A262-E266 PolarHBondContact O-N 2.86Å |
| 263 | A | 91 | Very high | 90.4 | Very high | 56 Ų | 56 | 108.5 Ų | 108.5 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.4 | -37.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E259 C261 Q267 | E259-A263 WeakPolarHBondContact O-CB 3.21Å; E259-A263 PolarHBondContact O-N 2.86Å; C261-A263 VanDerWaalsContact C-N 3.3Å; C261-A263 PolarHBondContact O-N 2.91Å; A263-Q267 PolarHBondContact O-N 2.97Å; A263-Q267 VanDerWaalsContact O-N 3.13Å |
| 264 | V | 90.6 | Very high | 89.6 | Confident | 85 Ų | 85 | 111.9 Ų | 111.9 | 52% | 0.515 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.6 | -44.3 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | A260 C261 A262 E266 Q267 Q268 | A260-V264 WeakPolarHBondContact O-CG2 3.5Å; A260-V264 PolarHBondContact O-N 3.36Å; C261-V264 PolarHBondContact O-N 3.4Å; C261-V264 VanDerWaalsContact O-N 3.17Å; A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 PolarHBondContact O-N 2.9Å; V264-E266 PolarHBondContact O-N 3.48Å; V264-Q267 PolarHBondContact O-N 3.24Å; V264-Q268 WeakPolarHBondContact O-CB 3.28Å; V264-Q268 PolarHBondContact O-N 2.89Å |
| 265 | D | 88.4 | Confident | 88.6 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.2 | -42.2 | 178.5 | -75.2 | -14.8 | 0 | 0 | 0 | 111.9 | C261 A262 Q267 Q268 Q269 | C261-D265 PolarHBondContact O-N 3.18Å; C261-D265 VanDerWaalsContact O-N 3.08Å; A262-D265 PolarHBondContact O-N 3.17Å; D265-Q267 VanDerWaalsContact C-N 3.32Å; D265-Q267 PolarHBondContact O-N 3.45Å; D265-Q268 PolarHBondContact O-N 2.9Å; D265-Q269 WeakPolarHBondContact O-CG 3.43Å; D265-Q269 PolarHBondContact O-N 2.99Å |
| 266 | E | 88 | Confident | 87.2 | Confident | 110 Ų | 110 | 110.6 Ų | 110.6 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.3 | -42.1 | 174 | -85.5 | -157.5 | -172.5 | 0 | 0 | 112.1 | A262 V264 Q268 Q269 R270 | A262-E266 PolarHBondContact O-N 2.86Å; V264-E266 PolarHBondContact O-N 3.48Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; E266-Q269 PolarHBondContact O-N 3.31Å; E266-R270 WeakPolarHBondContact O-CG 3.34Å; E266-R270 PolarHBondContact O-N 2.75Å; E266-R270 IonicContact OE2-NH2 3.72Å; E266-R270 PolarHBondContact OE2-NH2 3.18Å; E266-R270 VanDerWaalsContact OE2-NH2 3.14Å |
| 267 | Q | 85.8 | Confident | 85.7 | Confident | 130 Ų | 130 | 109.9 Ų | 109.9 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.8 | -35.7 | 179.8 | -166.4 | 160.5 | -10.9 | 0 | 0 | 111.6 | A263 V264 D265 R270 N271 | A263-Q267 PolarHBondContact O-N 2.97Å; A263-Q267 VanDerWaalsContact O-N 3.13Å; V264-Q267 PolarHBondContact O-N 3.24Å; D265-Q267 VanDerWaalsContact C-N 3.32Å; D265-Q267 PolarHBondContact O-N 3.45Å; Q267-R270 PolarHBondContact O-N 3.49Å; Q267-N271 VanDerWaalsContact O-CG 3.24Å; Q267-N271 PolarHBondContact O-N 3.39Å; Q267-N271 PolarHBondContact O-ND2 3.45Å |
| 268 | Q | 88.3 | Confident | 84.2 | Confident | 121 Ų | 121 | 110.3 Ų | 110.3 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70 | -35.2 | 175.2 | -162 | 156.3 | -6.9 | 0 | 0 | 112.2 | V264 D265 E266 N271 T272 | V264-Q268 WeakPolarHBondContact O-CB 3.28Å; V264-Q268 PolarHBondContact O-N 2.89Å; D265-Q268 PolarHBondContact O-N 2.9Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-N271 PolarHBondContact O-N 3.44Å; Q268-T272 WeakPolarHBondContact O-CG2 3.46Å; Q268-T272 PolarHBondContact O-N 3.35Å; Q268-T272 PolarHBondContact O-OG1 3.21Å |
| 269 | Q | 87.7 | Confident | 82.9 | Confident | 133 Ų | 133 | 110.5 Ų | 110.5 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.1 | -38.1 | 170.9 | -73.6 | -178.5 | 20.2 | 0 | 0 | 112.6 | D265 E266 T272 K273 | D265-Q269 WeakPolarHBondContact O-CG 3.43Å; D265-Q269 PolarHBondContact O-N 2.99Å; E266-Q269 PolarHBondContact O-N 3.31Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.32Å; Q269-T272 PolarHBondContact O-OG1 3.23Å; Q269-K273 WeakPolarHBondContact O-CB 3.39Å; Q269-K273 PolarHBondContact O-N 3Å |
| 270 | R | 85.8 | Confident | 81.1 | Confident | 159 Ų | 159 | 108.2 Ų | 108.2 | 60% | 0.6 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.6 | -45.5 | 174 | -70.6 | 178 | -164.2 | -172.1 | 9.4 | 111.3 | E266 Q267 T272 K273 E274 | E266-R270 WeakPolarHBondContact O-CG 3.34Å; E266-R270 PolarHBondContact O-N 2.75Å; E266-R270 IonicContact OE2-NH2 3.72Å; E266-R270 PolarHBondContact OE2-NH2 3.18Å; E266-R270 VanDerWaalsContact OE2-NH2 3.14Å; Q267-R270 PolarHBondContact O-N 3.49Å; R270-T272 PolarHBondContact O-N 3.32Å; R270-K273 PolarHBondContact O-N 2.89Å; R270-E274 PolarHBondContact O-N 3.12Å; R270-E274 VanDerWaalsContact O-N 3.08Å |
| 271 | N | 85.6 | Confident | 79.6 | Confident | 91 Ų | 91 | 110.9 Ų | 110.9 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 178.4 | -69.9 | -16.6 | 0 | 0 | 0 | 112.9 | Q267 Q268 Q275 | Q267-N271 VanDerWaalsContact O-CG 3.24Å; Q267-N271 PolarHBondContact O-N 3.39Å; Q267-N271 PolarHBondContact O-ND2 3.45Å; Q268-N271 PolarHBondContact O-N 3.44Å; N271-Q275 PolarHBondContact O-N 2.91Å |
| 272 | T | 83.6 | Confident | 78 | Confident | 84 Ų | 84 | 116 Ų | 116 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.5 | -34.8 | 177.5 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | Q268 Q269 R270 Q275 S276 | Q268-T272 WeakPolarHBondContact O-CG2 3.46Å; Q268-T272 PolarHBondContact O-N 3.35Å; Q268-T272 PolarHBondContact O-OG1 3.21Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.32Å; Q269-T272 PolarHBondContact O-OG1 3.23Å; R270-T272 PolarHBondContact O-N 3.32Å; T272-Q275 PolarHBondContact O-N 3.18Å; T272-S276 PolarHBondContact O-N 3.03Å |
| 273 | K | 82.9 | Confident | 76.4 | Confident | 162 Ų | 162 | 119.9 Ų | 119.9 | 70% | 0.704 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.4 | -32.1 | 176.9 | -163.7 | 172.6 | -175.1 | 178.4 | 0 | 113 | Q269 R270 S276 | Q269-K273 WeakPolarHBondContact O-CB 3.39Å; Q269-K273 PolarHBondContact O-N 3Å; R270-K273 PolarHBondContact O-N 2.89Å; K273-S276 PolarHBondContact O-OG 3.22Å |
| 274 | E | 78.2 | Confident | 74.6 | Confident | 148 Ų | 148 | 125.6 Ų | 125.6 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.3 | -32.3 | 175.7 | -72.6 | -175.8 | 178.6 | 0 | 0 | 112.8 | R270 S276 | R270-E274 PolarHBondContact O-N 3.12Å; R270-E274 VanDerWaalsContact O-N 3.08Å; E274-S276 VanDerWaalsContact C-N 3.32Å; E274-S276 PolarHBondContact O-N 2.83Å |
| 275 | Q | 72.4 | Confident | 72.6 | Confident | 177 Ų | 177 | 125.8 Ų | 125.8 | 83% | 0.827 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.5 | -19.9 | 174.8 | -83.1 | -178 | -5.8 | 0 | 0 | 113.9 | N271 T272 | N271-Q275 PolarHBondContact O-N 2.91Å; T272-Q275 PolarHBondContact O-N 3.18Å |
| 276 | S | 66.4 | Low | 70.6 | Confident | 81 Ų | 81 | 126.8 Ų | 126.8 | 57% | 0.566 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 16.7 | -177.4 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | T272 K273 E274 P278 | T272-S276 PolarHBondContact O-N 3.03Å; K273-S276 PolarHBondContact O-OG 3.22Å; E274-S276 VanDerWaalsContact C-N 3.32Å; E274-S276 PolarHBondContact O-N 2.83Å; S276-P278 WeakPolarHBondContact O-CD 3.25Å |
| 277 | V | 64.5 | Low | 68.8 | Low | 110 Ų | 110 | 129.2 Ų | 129.2 | 67% | 0.667 | 69% | 0.694 | S | S | * | * | trans | -66.8 | 107.3 | 171.5 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | V279 | V277-V279 PolarHBondContact O-N 3.04Å; V277-V279 VanDerWaalsContact O-N 3.11Å | ||
| 278 | P | 62.6 | Low | 67 | Low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | trans | -64.5 | 121.7 | 178.9 | 28.3 | -31.3 | 0 | 0 | 0 | 107 | S276 S280 | S276-P278 WeakPolarHBondContact O-CD 3.25Å; P278-S280 VanDerWaalsContact C-N 3.28Å; P278-S280 PolarHBondContact O-N 3.23Å | ||
| 279 | V | 67.7 | Low | 65.1 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | trans | -57 | 100.8 | 166.2 | 176.4 | 0 | 0 | 0 | 0 | 105.8 | V277 P281 | V277-V279 PolarHBondContact O-N 3.04Å; V277-V279 VanDerWaalsContact O-N 3.11Å; V279-P281 WeakPolarHBondContact O-CD 3.26Å | ||
| 280 | S | 57.4 | Low | 63.2 | Low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -49.2 | 117.2 | 177.9 | -65.3 | 0 | 0 | 0 | 0 | 108.1 | P278 K282 | P278-S280 VanDerWaalsContact C-N 3.28Å; P278-S280 PolarHBondContact O-N 3.23Å; S280-K282 PolarHBondContact O-N 2.84Å | ||
| 281 | P | 61.2 | Low | 61.3 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -61.1 | 118.2 | 174.7 | 18 | -21.6 | 0 | 0 | 0 | 106.4 | V279 V283 | V279-P281 WeakPolarHBondContact O-CD 3.26Å; P281-V283 PolarHBondContact O-N 2.74Å | ||
| 282 | K | 58.9 | Low | 59.4 | Low | 187 Ų | 187 | 140.4 Ų | 140.4 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -49.9 | 105.7 | 169.8 | -81 | 176.6 | 176.4 | 174.4 | 0 | 106.8 | S280 F284 | S280-K282 PolarHBondContact O-N 2.84Å; K282-F284 PolarHBondContact O-N 3.35Å | ||
| 283 | V | 56.4 | Low | 57.4 | Low | 136 Ų | 136 | 139.5 Ų | 139.5 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -65.8 | 93.1 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 105.7 | P281 A285 | P281-V283 PolarHBondContact O-N 2.74Å; V283-A285 PolarHBondContact O-N 3.48Å | ||
| 284 | F | 53.4 | Low | 55.6 | Low | 176 Ų | 176 | 136.2 Ų | 136.2 | 77% | 0.772 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 107.5 | 158.7 | -92.4 | -88.6 | 0 | 0 | 0 | 105.9 | K282 C286 | K282-F284 PolarHBondContact O-N 3.35Å; F284-C286 VanDerWaalsContact C-N 3.3Å; F284-C286 PolarHBondContact O-N 3Å | ||
| 285 | A | 49.9 | Very low | 54.1 | Low | 88 Ų | 88 | 136.7 Ų | 136.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -62 | 96 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | V283 | V283-A285 PolarHBondContact O-N 3.48Š| ||
| 286 | C | 46.8 | Very low | 52.9 | Low | 116 Ų | 116 | 132.9 Ų | 132.9 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -107.5 | 106.8 | 157.7 | -75 | 0 | 0 | 0 | 0 | 106.4 | F284 | F284-C286 VanDerWaalsContact C-N 3.3Å; F284-C286 PolarHBondContact O-N 3Å | ||
| 287 | D | 48.9 | Very low | 51.9 | Low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -53 | 133.7 | 172.8 | -72.7 | -47.4 | 0 | 0 | 0 | 111.3 | ||||
| 288 | G | 48.4 | Very low | 51.1 | Low | 58 Ų | 58 | 137.1 Ų | 137.1 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | trans | 74.3 | 101.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 289 | F | 48.7 | Very low | 50.4 | Low | 205 Ų | 205 | 140.4 Ų | 140.4 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | -164.2 | 110.7 | 122.6 | -99.8 | -73.4 | 0 | 0 | 0 | 107.8 | F291 | F289-F291 PolarHBondContact O-N 3.27Š| |||
| 290 | Y | 48.4 | Very low | 49.4 | Very low | 223 Ų | 223 | 146 Ų | 146 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -62.9 | 118 | 166.9 | -80.7 | -100.6 | 0 | 0 | 0 | 108.1 | ||||
| 291 | F | 45.9 | Very low | 49 | Very low | 196 Ų | 196 | 152.7 Ų | 152.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -117.1 | 92.4 | 159.9 | -118.9 | -88.4 | 0 | 0 | 0 | 107.4 | F289 G293 | F289-F291 PolarHBondContact O-N 3.27Å; F291-G293 PolarHBondContact O-N 3.5Å | ||
| 292 | E | 44.8 | Very low | 48.3 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 114.4 | 157.1 | -79.8 | 179.8 | 145.3 | 0 | 0 | 107.4 | ||||
| 293 | G | 41 | Very low | 47.8 | Very low | 66 Ų | 66 | 152 Ų | 152 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | -152.2 | 69.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.2 | F291 N295 | F291-G293 PolarHBondContact O-N 3.5Å; G293-N295 PolarHBondContact O-N 3.12Å | ||
| 294 | A | 46.6 | Very low | 47.9 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -55.2 | 127.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 295 | N | 46.5 | Very low | 47.6 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -175.7 | 97.3 | 148.3 | -84 | -27.1 | 0 | 0 | 0 | 106 | G293 | G293-N295 PolarHBondContact O-N 3.12Š| ||
| 296 | S | 46.5 | Very low | 47.8 | Very low | 97 Ų | 97 | 156.3 Ų | 156.3 | 68% | 0.678 | 85% | 0.849 | S | S | * | * | 84.4 | 98.5 | 97.8 | -167.4 | 0 | 0 | 0 | 0 | 111 | E298 | S296-E298 PolarHBondContact O-N 3.04Š| |||
| 297 | S | 44.6 | Very low | 47.9 | Very low | 112 Ų | 112 | 158.4 Ų | 158.4 | 78% | 0.783 | 85% | 0.853 | S | S | * | * | trans | -31.7 | 120.5 | 146.7 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 298 | E | 48.6 | Very low | 47.8 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 79% | 0.785 | 85% | 0.852 | S | S | * | * | trans | -166.9 | 98.9 | 150.5 | -108.6 | 170.4 | -166.6 | 0 | 0 | 105.7 | S296 | S296-E298 PolarHBondContact O-N 3.04Š| ||
| 299 | E | 48.5 | Very low | 47.8 | Very low | 171 Ų | 171 | 163.8 Ų | 163.8 | 80% | 0.799 | 87% | 0.866 | S | S | * | * | 81.4 | 96.3 | 95.4 | -167.4 | 168.9 | -141.8 | 0 | 0 | 111.6 | |||||
| 300 | R | 46.6 | Very low | 47.8 | Very low | 256 Ų | 256 | 161.4 Ų | 161.4 | 97% | 0.966 | 86% | 0.864 | S | S | * | * | trans | -156.9 | 80.6 | 147.8 | -106.1 | 174.5 | -131.5 | -156.8 | 3.6 | 108.9 | ||||
| 301 | R | 47.5 | Very low | 47.7 | Very low | 240 Ų | 240 | 157.5 Ų | 157.5 | 91% | 0.906 | 86% | 0.864 | S | S | * | * | trans | -70 | 155.6 | 152.5 | -86.5 | 178.3 | 166.8 | 174.5 | -3.4 | 109 | ||||
| 302 | A | 47.5 | Very low | 47.8 | Very low | 93 Ų | 93 | 154.9 Ų | 154.9 | 77% | 0.769 | 86% | 0.864 | S | S | * | * | trans | 78.3 | 105.9 | 159 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 303 | E | 49.4 | Very low | 48 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 90% | 0.897 | 86% | 0.863 | S | S | * | * | -169.4 | 87 | 119.7 | -101.4 | 170.6 | -168.9 | 0 | 0 | 108.4 | |||||
| 304 | V | 57.1 | Low | 48.6 | Very low | 140 Ų | 140 | 159.3 Ų | 159.3 | 85% | 0.848 | 88% | 0.877 | S | S | * | * | trans | -118.4 | 81.8 | 159 | 176.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 305 | L | 46.5 | Very low | 48.7 | Very low | 178 Ų | 178 | 164.8 Ų | 164.8 | 93% | 0.932 | 89% | 0.887 | S | S | * | * | trans | -152.2 | 86.3 | 164.8 | -81.7 | -176.3 | 0 | 0 | 0 | 109.4 | ||||
| 306 | A | 55.8 | Low | 49 | Very low | 173 Ų | 173 | 165.5 Ų | 165.5 | 100% | 1.43 | 89% | 0.89 | S | S | * | * | trans | -169.4 | 0 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 306 of 306 residues in 836.8 ms
(Link to these results)