| 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 | 39.9 | Very low | 47.3 | Very low | 244 Ų | 244 | 188 Ų | 188 | 100% | 1.202 | 90% | 0.895 | S | S | * | * | 0 | 119.7 | 0 | -74.7 | 173.4 | -168.2 | 0 | 0 | 108.9 | |||||
| 2 | R | 43.2 | Very low | 47.6 | Very low | 242 Ų | 242 | 179.9 Ų | 179.9 | 91% | 0.913 | 86% | 0.859 | S | S | * | * | trans | -72.4 | 125.4 | 177.9 | -87.6 | 178.5 | 172.5 | 158.1 | -2.4 | 109.5 | M4 | R2-M4 PolarHBondContact O-N 3.18Š| ||
| 3 | R | 46.3 | Very low | 47.7 | Very low | 249 Ų | 249 | 173.3 Ų | 173.3 | 94% | 0.94 | 84% | 0.84 | S | S | * | * | trans | -70.5 | 115 | 168.7 | -73.8 | -173 | -120 | -164.5 | -0.5 | 108.4 | A5 | R3-A5 PolarHBondContact O-N 3.3Š| ||
| 4 | M | 42.2 | Very low | 48 | Very low | 176 Ų | 176 | 172.6 Ų | 172.6 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | trans | -81.3 | 112.9 | 168.4 | -68.3 | -79.7 | -108.2 | 0 | 0 | 107.4 | R2 L6 | R2-M4 PolarHBondContact O-N 3.18Å; M4-L6 PolarHBondContact O-N 2.93Å | ||
| 5 | A | 47.8 | Very low | 48.1 | Very low | 93 Ų | 93 | 171.1 Ų | 171.1 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -69.2 | 117.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | R3 K7 | R3-A5 PolarHBondContact O-N 3.3Å; A5-K7 PolarHBondContact O-N 3.27Å | ||
| 6 | L | 48.6 | Very low | 48 | Very low | 171 Ų | 171 | 162 Ų | 162 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -62.7 | 107 | 168.3 | -81.8 | 125.2 | 0 | 0 | 0 | 107.9 | M4 K8 | M4-L6 PolarHBondContact O-N 2.93Å; L6-K8 PolarHBondContact O-N 3.42Å | ||
| 7 | K | 57.2 | Low | 48.3 | Very low | 198 Ų | 198 | 159.4 Ų | 159.4 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -58.7 | 122.8 | 166.3 | -67.6 | 179.7 | -179.5 | 179.5 | 0 | 106.5 | A5 L9 | A5-K7 PolarHBondContact O-N 3.27Å; K7-L9 PolarHBondContact O-N 3.42Å | ||
| 8 | K | 48 | Very low | 48.6 | Very low | 206 Ų | 206 | 157.6 Ų | 157.6 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | trans | -54.2 | 115.4 | 176.3 | -66.1 | -170.5 | 176.9 | -173.2 | 0 | 108.2 | L6 K10 | L6-K8 PolarHBondContact O-N 3.42Å; K8-K10 PolarHBondContact O-N 3.28Å; K8-K10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | L | 47.6 | Very low | 48.8 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -64 | 115.2 | 173.6 | -158.8 | 74.1 | 0 | 0 | 0 | 106.3 | K7 V11 | K7-L9 PolarHBondContact O-N 3.42Å; L9-V11 PolarHBondContact O-N 3.22Å | ||
| 10 | K | 49.8 | Very low | 49 | Very low | 191 Ų | 191 | 156 Ų | 156 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -67.8 | 106.6 | -179.7 | -154.4 | 170.5 | -175.6 | 178.6 | 0 | 106 | K8 I12 | K8-K10 PolarHBondContact O-N 3.28Å; K8-K10 VanDerWaalsContact O-N 3.14Å; K10-I12 PolarHBondContact O-N 3.42Å | ||
| 11 | V | 49.5 | Very low | 49 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | -58.8 | 110.6 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 106.4 | L9 | L9-V11 PolarHBondContact O-N 3.22Š| ||
| 12 | I | 51.4 | Low | 49.2 | Very low | 91 Ų | 91 | 146 Ų | 146 | 47% | 0.467 | 72% | 0.715 | S | S | . | * | trans | -72 | 126.9 | 175.4 | -60.1 | 172.4 | 0 | 0 | 0 | 106.3 | K10 Y17 | K10-I12 PolarHBondContact O-N 3.42Å; I12-Y17 HydrophobicContact CB-CE2 3.9Å; I12-Y17 HydrophobicContact CG2-CD2 4.4Å; I12-Y17 HydrophobicContact CG2-CE2 3.84Å | ||
| 13 | P | 48 | Very low | 49.4 | Very low | 94 Ų | 94 | 143 Ų | 143 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | trans | -59.9 | 145.5 | 178.3 | -22.6 | 33.1 | 0 | 0 | 0 | 111.9 | E15 G16 | P13-E15 PolarHBondContact O-N 2.97Å; P13-E15 VanDerWaalsContact O-N 3.14Å; P13-G16 PolarHBondContact O-N 3.02Å | ||
| 14 | K | 52.4 | Low | 49.4 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -52.3 | -35 | -177.5 | -68.2 | -177.2 | 175.7 | 179.9 | 0 | 113.5 | G16 Y17 | K14-G16 VanDerWaalsContact C-N 3.27Å; K14-G16 PolarHBondContact O-N 3.1Å; K14-Y17 PolarHBondContact O-N 3.44Å |
| 15 | E | 49.2 | Very low | 49.9 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -60.9 | -26.5 | 175 | -106.2 | 62.7 | -151.6 | 0 | 0 | 114.9 | P13 Y17 | P13-E15 PolarHBondContact O-N 2.97Å; P13-E15 VanDerWaalsContact O-N 3.14Å; E15-Y17 PolarHBondContact O-N 3.43Å |
| 16 | G | 47.4 | Very low | 49.9 | Very low | 26 Ų | 26 | 140.1 Ų | 140.1 | 27% | 0.268 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -77.4 | -19 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P13 K14 | P13-G16 PolarHBondContact O-N 3.02Å; K14-G16 VanDerWaalsContact C-N 3.27Å; K14-G16 PolarHBondContact O-N 3.1Å |
| 17 | Y | 52.5 | Low | 50.2 | Low | 117 Ų | 117 | 139.1 Ų | 139.1 | 46% | 0.459 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -23.8 | -177.2 | -68.6 | -80.4 | 0 | 0 | 0 | 113.2 | I12 K14 E15 | I12-Y17 HydrophobicContact CB-CE2 3.9Å; I12-Y17 HydrophobicContact CG2-CD2 4.4Å; I12-Y17 HydrophobicContact CG2-CE2 3.84Å; K14-Y17 PolarHBondContact O-N 3.44Å; E15-Y17 PolarHBondContact O-N 3.43Å |
| 18 | L | 53.3 | Low | 49.7 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 67% | 0.665 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -32.8 | 179.4 | -67.1 | 174.8 | 0 | 0 | 0 | 112.3 | L20 | L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 2.98Å |
| 19 | L | 53.6 | Low | 49.5 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -19 | -179.4 | -86.4 | 156.3 | 0 | 0 | 0 | 114.3 | L21 | L19-L21 VanDerWaalsContact C-N 3.33Š|
| 20 | L | 51.2 | Low | 49.3 | Very low | 148 Ų | 148 | 134 Ų | 134 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -3.3 | -176.2 | -102.4 | 153.2 | 0 | 0 | 0 | 114 | L18 | L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 2.98Å |
| 21 | L | 49.3 | Very low | 49 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 39% | 0.393 | 69% | 0.687 | S | S | . | * | trans | -121.6 | 4 | -173.3 | -85.1 | 148.6 | 0 | 0 | 0 | 114 | L19 F23 | L19-L21 VanDerWaalsContact C-N 3.33Å; L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CD2-CE2 4.08Å; L21-F23 PolarHBondContact O-N 3.29Å | ||
| 22 | D | 45.5 | Very low | 48.3 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | trans | -74 | 90.7 | 162.3 | -76.3 | -25.3 | 0 | 0 | 0 | 106.8 | D24 | D22-D24 PolarHBondContact O-N 3.4Š| ||
| 23 | F | 45.6 | Very low | 47.7 | Very low | 180 Ų | 180 | 135 Ų | 135 | 79% | 0.789 | 70% | 0.698 | S | S | * | * | trans | -67 | 114.8 | 165.5 | -72 | -86.6 | 0 | 0 | 0 | 107.1 | L21 D25 | L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CD2-CE2 4.08Å; L21-F23 PolarHBondContact O-N 3.29Å; F23-D25 PolarHBondContact O-N 2.96Å | ||
| 24 | D | 46.5 | Very low | 47.6 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | -52.5 | 117.5 | 168 | -105.6 | -30.8 | 0 | 0 | 0 | 108.8 | D22 E26 | D22-D24 PolarHBondContact O-N 3.4Å; D24-E26 VanDerWaalsContact C-N 3.35Å; D24-E26 PolarHBondContact O-N 3.37Å; D24-E26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | D | 52.8 | Low | 46.8 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -71.8 | 93.9 | 161.6 | -89 | -31 | 0 | 0 | 0 | 106.5 | F23 D27 | F23-D25 PolarHBondContact O-N 2.96Å; D25-D27 PolarHBondContact O-N 3.25Å | ||
| 26 | E | 49.4 | Very low | 46 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | -65.8 | 121.6 | 162.3 | -77.7 | -82.7 | 176.9 | 0 | 0 | 108.1 | D24 D28 | D24-E26 VanDerWaalsContact C-N 3.35Å; D24-E26 PolarHBondContact O-N 3.37Å; D24-E26 VanDerWaalsContact O-N 3.14Å; E26-D28 PolarHBondContact O-N 3.17Å | ||
| 27 | D | 53.2 | Low | 45.5 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | -61.5 | 93 | 177.4 | -71.8 | -55.2 | 0 | 0 | 0 | 110.9 | D25 D29 | D25-D27 PolarHBondContact O-N 3.25Å; D27-D29 PolarHBondContact O-N 2.64Å | ||
| 28 | D | 46.5 | Very low | 45 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -77.6 | 100 | 166.1 | -88.9 | -28 | 0 | 0 | 0 | 109.6 | E26 I30 | E26-D28 PolarHBondContact O-N 3.17Å; D28-I30 PolarHBondContact O-N 2.94Å | ||
| 29 | D | 45.2 | Very low | 44.3 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -51.4 | 100.8 | 170 | -83.9 | -37.5 | 0 | 0 | 0 | 111.7 | D27 K31 | D27-D29 PolarHBondContact O-N 2.64Å; D29-K31 PolarHBondContact O-N 3.43Å | ||
| 30 | I | 43 | Very low | 43.3 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 95.4 | 172.7 | -56.3 | 178 | 0 | 0 | 0 | 109 | D28 V32 | D28-I30 PolarHBondContact O-N 2.94Å; I30-V32 HydrophobicContact CG2-CG2 4.2Å; I30-V32 PolarHBondContact O-N 3.01Å | ||
| 31 | K | 44.3 | Very low | 42.7 | Very low | 203 Ų | 203 | 149.5 Ų | 149.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 102.4 | 160 | -96.4 | -175.3 | 176.8 | -179.7 | 0 | 109.5 | D29 S33 | D29-K31 PolarHBondContact O-N 3.43Å; K31-S33 PolarHBondContact O-N 3.38Å | ||
| 32 | V | 34.1 | Very low | 42.4 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 111.6 | 168 | 168.8 | 0 | 0 | 0 | 0 | 108.9 | I30 | I30-V32 HydrophobicContact CG2-CG2 4.2Å; I30-V32 PolarHBondContact O-N 3.01Å | ||
| 33 | S | 39 | Very low | 42.2 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -81.8 | 115.3 | 164 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | K31 | K31-S33 PolarHBondContact O-N 3.38Š| ||
| 34 | E | 45.9 | Very low | 41.7 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -85.2 | 110.9 | 171.7 | -170.8 | 175.9 | -163.9 | 0 | 0 | 108.4 | ||||
| 35 | E | 34.7 | Very low | 41.3 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -132.1 | 109.3 | 171.8 | -130.4 | 173.4 | -174.8 | 0 | 0 | 111.4 | ||||
| 36 | A | 32.8 | Very low | 40.6 | Very low | 87 Ų | 87 | 150.3 Ų | 150.3 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | 65.6 | 101.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 37 | L | 37.3 | Very low | 40.6 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 96% | 0.963 | 82% | 0.824 | S | S | * | * | trans | -122.6 | 110.8 | 142.6 | -75.5 | 175.1 | 0 | 0 | 0 | 109.3 | ||||
| 38 | S | 41.1 | Very low | 40 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -149.1 | 99.3 | 158.6 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 39 | E | 38.2 | Very low | 39.7 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | trans | -135.7 | 83 | 154.5 | -161.5 | 170.7 | -175.5 | 0 | 0 | 108.2 | ||||
| 40 | V | 34.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -98.9 | 104.3 | 165.5 | 171.7 | 0 | 0 | 0 | 0 | 106.7 | S42 | V40-S42 PolarHBondContact O-N 2.94Š| ||
| 41 | K | 37.8 | Very low | 39.3 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 81% | 0.809 | 83% | 0.825 | S | S | * | * | trans | -79.7 | 110.3 | 175.8 | -153.1 | 171.4 | -170.1 | 171.6 | 0 | 108.6 | ||||
| 42 | S | 43.8 | Very low | 39.2 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 139.4 | 175.2 | -31.7 | 0 | 0 | 0 | 0 | 110.5 | V40 | V40-S42 PolarHBondContact O-N 2.94Š|
| 43 | P | 39.8 | Very low | 39.6 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 133.3 | 167.8 | -1.8 | 19.4 | 0 | 0 | 0 | 109.8 | ||
| 44 | A | 36.3 | Very low | 39.7 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 45 | F | 37.5 | Very low | 39.4 | Very low | 200 Ų | 200 | 148 Ų | 148 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 120.7 | 172.4 | -153.1 | -93.1 | 0 | 0 | 0 | 108.9 | ||
| 46 | D | 37.9 | Very low | 39.7 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 136.9 | 175.4 | -84.9 | -39 | 0 | 0 | 0 | 110.8 | N48 | D46-N48 PolarHBondContact O-N 2.98Š|
| 47 | K | 50.1 | Low | 40.5 | Very low | 207 Ų | 207 | 149 Ų | 149 | 90% | 0.9 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 116.5 | 177.6 | -64.4 | 174.1 | 178.2 | 178.2 | 0 | 108.9 | ||
| 48 | N | 41.2 | Very low | 41.2 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 136.3 | 165.3 | 73.2 | 9 | 0 | 0 | 0 | 110.2 | D46 | D46-N48 PolarHBondContact O-N 2.98Š|
| 49 | E | 40 | Very low | 41.9 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134.3 | 174.9 | -92.7 | 171.5 | 147.3 | 0 | 0 | 110.4 | I51 | E49-I51 PolarHBondContact O-N 3.27Š|
| 50 | N | 36.6 | Very low | 42.9 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -78.6 | 112.5 | -178.8 | -152.6 | -23.1 | 0 | 0 | 0 | 108.8 | ||||
| 51 | I | 43.2 | Very low | 44.3 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -114.7 | 106.6 | 165.6 | -54.3 | 177.4 | 0 | 0 | 0 | 106.9 | E49 P53 | E49-I51 PolarHBondContact O-N 3.27Å; I51-P53 WeakPolarHBondContact O-CD 3.42Å | ||
| 52 | S | 41.2 | Very low | 45.9 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 130.2 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 53 | P | 42.4 | Very low | 47.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 130.6 | 153.9 | -1.8 | 22.3 | 0 | 0 | 0 | 109.3 | I51 | I51-P53 WeakPolarHBondContact O-CD 3.42Š|
| 54 | Q | 41.3 | Very low | 49.4 | Very low | 194 Ų | 194 | 140 Ų | 140 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 125.1 | 179 | -164.1 | 176.2 | -15.3 | 0 | 0 | 111 | ||
| 55 | A | 39.2 | Very low | 51.6 | Low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -89 | 123.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 56 | E | 41.2 | Very low | 53.9 | Low | 197 Ų | 197 | 133.8 Ų | 133.8 | 92% | 0.921 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 136.9 | 156.6 | -68.5 | -174.2 | 170.7 | 0 | 0 | 108.1 | D58 | E56-D58 PolarHBondContact O-N 3.19Š|
| 57 | A | 51 | Low | 56.2 | Low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | -79.5 | 112.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 58 | D | 50.3 | Low | 57.9 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | trans | -112.1 | 111.4 | 156.3 | -104 | -24.5 | 0 | 0 | 0 | 107.4 | E56 D60 M61 | E56-D58 PolarHBondContact O-N 3.19Å; D58-D60 PolarHBondContact O-N 2.94Å; D58-D60 VanDerWaalsContact O-N 3.13Å; D58-M61 HydrophobicContact CB-CG 4.45Å | ||
| 59 | E | 56.3 | Low | 60.3 | Low | 203 Ų | 203 | 122.2 Ų | 122.2 | 95% | 0.949 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 4.9 | -175.9 | -80.7 | 179.9 | 156.3 | 0 | 0 | 114.3 | ||
| 60 | D | 60.1 | Low | 62.7 | Low | 130 Ų | 130 | 118.7 Ų | 118.7 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -11.4 | -177.7 | -164.1 | 34.3 | 0 | 0 | 0 | 113.8 | D58 | D58-D60 PolarHBondContact O-N 2.94Å; D58-D60 VanDerWaalsContact O-N 3.13Å |
| 61 | M | 63.7 | Low | 65.4 | Low | 108 Ų | 108 | 117.2 Ų | 117.2 | 53% | 0.532 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -87.1 | -16.2 | -176.9 | -68.2 | -69.4 | 175.9 | 0 | 0 | 114 | D58 V65 | D58-M61 HydrophobicContact CB-CG 4.45Å; M61-V65 VanDerWaalsContact O-CG2 3.3Å; M61-V65 WeakPolarHBondContact O-CG2 3.5Å; M61-V65 PolarHBondContact O-N 3.27Å |
| 62 | G | 71.9 | Confident | 67.7 | Low | 40 Ų | 40 | 112.2 Ų | 112.2 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.7 | -47.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E64 V65 D66 | G62-E64 VanDerWaalsContact C-N 3.27Å; G62-E64 PolarHBondContact O-N 3.46Å; G62-V65 PolarHBondContact O-N 3.1Å; G62-D66 PolarHBondContact O-N 3.49Å |
| 63 | D | 76.9 | Confident | 70.2 | Confident | 128 Ų | 128 | 113.9 Ų | 113.9 | 68% | 0.684 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.5 | -33.2 | 178.9 | -74.8 | -2.9 | 0 | 0 | 0 | 111.9 | S67 | D63-S67 WeakPolarHBondContact O-CB 3.4Å; D63-S67 PolarHBondContact O-N 3.49Å |
| 64 | E | 79.3 | Confident | 72.7 | Confident | 103 Ų | 103 | 111.8 Ų | 111.8 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68 | -45.7 | 175.2 | -179.7 | 168.7 | -167.9 | 0 | 0 | 111.7 | G62 S67 M68 | G62-E64 VanDerWaalsContact C-N 3.27Å; G62-E64 PolarHBondContact O-N 3.46Å; E64-S67 PolarHBondContact O-N 3.28Å; E64-M68 HydrophobicContact CG-CE 3.66Å; E64-M68 VanDerWaalsContact O-CG 3.32Å; E64-M68 WeakPolarHBondContact O-CG 3.47Å; E64-M68 PolarHBondContact O-N 3.3Å; E64-M68 WeakPolarHBondContact OE1-CE 3.42Å |
| 65 | V | 81.9 | Confident | 75.3 | Confident | 79 Ų | 79 | 107 Ų | 107 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.2 | -43.2 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | M61 G62 M68 L69 | M61-V65 VanDerWaalsContact O-CG2 3.3Å; M61-V65 WeakPolarHBondContact O-CG2 3.5Å; M61-V65 PolarHBondContact O-N 3.27Å; G62-V65 PolarHBondContact O-N 3.1Å; V65-M68 WeakPolarHBondContact O-CB 3.5Å; V65-M68 PolarHBondContact O-N 3.04Å; V65-L69 HydrophobicContact CG1-CD1 4.19Å; V65-L69 WeakPolarHBondContact O-CG 3.35Å; V65-L69 PolarHBondContact O-N 3.5Å |
| 66 | D | 85.1 | Confident | 78 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -42.7 | 176.5 | -74.7 | -17.3 | 0 | 0 | 0 | 111.3 | G62 M68 L69 D70 | G62-D66 PolarHBondContact O-N 3.49Å; D66-M68 VanDerWaalsContact C-N 3.29Å; D66-M68 PolarHBondContact O-N 3.38Å; D66-L69 PolarHBondContact O-N 3.43Å; D66-L69 VanDerWaalsContact O-N 3.17Å; D66-D70 PolarHBondContact O-N 2.95Å |
| 67 | S | 86.3 | Confident | 80.6 | Confident | 47 Ų | 47 | 104.7 Ų | 104.7 | 33% | 0.329 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -33.1 | 174.2 | 127 | 0 | 0 | 0 | 0 | 112.8 | D63 E64 K71 | D63-S67 WeakPolarHBondContact O-CB 3.4Å; D63-S67 PolarHBondContact O-N 3.49Å; E64-S67 PolarHBondContact O-N 3.28Å; S67-K71 WeakPolarHBondContact O-CD 3.43Å; S67-K71 VanDerWaalsContact O-CG 3.22Å; S67-K71 WeakPolarHBondContact O-CG 3.27Å; S67-K71 PolarHBondContact O-N 3.38Å; S67-K71 PolarHBondContact OG-NZ 2.97Å; S67-K71 VanDerWaalsContact OG-NZ 3.12Å |
| 68 | M | 87.8 | Confident | 82.8 | Confident | 108 Ų | 108 | 104.6 Ų | 104.6 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 174.1 | -72.2 | -177 | -173.6 | 0 | 0 | 111.7 | E64 V65 D66 S72 | E64-M68 HydrophobicContact CG-CE 3.66Å; E64-M68 VanDerWaalsContact O-CG 3.32Å; E64-M68 WeakPolarHBondContact O-CG 3.47Å; E64-M68 PolarHBondContact O-N 3.3Å; E64-M68 WeakPolarHBondContact OE1-CE 3.42Å; V65-M68 WeakPolarHBondContact O-CB 3.5Å; V65-M68 PolarHBondContact O-N 3.04Å; D66-M68 VanDerWaalsContact C-N 3.29Å; D66-M68 PolarHBondContact O-N 3.38Å; M68-S72 WeakPolarHBondContact O-CB 3.38Å; M68-S72 PolarHBondContact O-N 3.4Å |
| 69 | L | 90.8 | Very high | 85.1 | Confident | 96 Ų | 96 | 102.9 Ų | 102.9 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 175.7 | -72.8 | 172.6 | 0 | 0 | 0 | 111.4 | V65 D66 K71 S72 E73 | V65-L69 HydrophobicContact CG1-CD1 4.19Å; V65-L69 WeakPolarHBondContact O-CG 3.35Å; V65-L69 PolarHBondContact O-N 3.5Å; D66-L69 PolarHBondContact O-N 3.43Å; D66-L69 VanDerWaalsContact O-N 3.17Å; L69-K71 VanDerWaalsContact C-N 3.32Å; L69-K71 PolarHBondContact O-N 3.18Å; L69-S72 CarbonylContact O-C 3.58Å; L69-S72 WeakPolarHBondContact O-CA 3.49Å; L69-S72 WeakPolarHBondContact O-CB 3.35Å; L69-S72 PolarHBondContact O-N 3.23Å; L69-S72 PolarHBondContact O-OG 3.41Å; L69-E73 PolarHBondContact O-N 3Å |
| 70 | D | 90.6 | Very high | 87 | Confident | 110 Ų | 110 | 97.9 Ų | 97.9 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 176.6 | -81.7 | -5.3 | 0 | 0 | 0 | 112 | D66 S72 E73 D74 | D66-D70 PolarHBondContact O-N 2.95Å; D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 3.41Å; D70-E73 PolarHBondContact O-N 2.97Å; D70-D74 PolarHBondContact O-N 3.07Å |
| 71 | K | 92.3 | Very high | 88.8 | Confident | 127 Ų | 127 | 95.2 Ų | 95.2 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 174.5 | -72.8 | 166.3 | -171.1 | 157.8 | 0 | 111.6 | S67 L69 D74 D75 | S67-K71 WeakPolarHBondContact O-CD 3.43Å; S67-K71 VanDerWaalsContact O-CG 3.22Å; S67-K71 WeakPolarHBondContact O-CG 3.27Å; S67-K71 PolarHBondContact O-N 3.38Å; S67-K71 PolarHBondContact OG-NZ 2.97Å; S67-K71 VanDerWaalsContact OG-NZ 3.12Å; L69-K71 VanDerWaalsContact C-N 3.32Å; L69-K71 PolarHBondContact O-N 3.18Å; K71-D74 PolarHBondContact O-N 3.29Å; K71-D75 WeakPolarHBondContact O-CB 3.41Å; K71-D75 PolarHBondContact O-N 3.01Å |
| 72 | S | 91.8 | Very high | 90.4 | Very high | 50 Ų | 50 | 95.6 Ų | 95.6 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 177.4 | 81.5 | 0 | 0 | 0 | 0 | 112 | M68 L69 D70 D75 I76 | M68-S72 WeakPolarHBondContact O-CB 3.38Å; M68-S72 PolarHBondContact O-N 3.4Å; L69-S72 CarbonylContact O-C 3.58Å; L69-S72 WeakPolarHBondContact O-CA 3.49Å; L69-S72 WeakPolarHBondContact O-CB 3.35Å; L69-S72 PolarHBondContact O-N 3.23Å; L69-S72 PolarHBondContact O-OG 3.41Å; D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 3.41Å; S72-D75 PolarHBondContact O-N 3.48Å; S72-I76 WeakPolarHBondContact O-CB 3.31Å; S72-I76 WeakPolarHBondContact O-CD1 3.37Å; S72-I76 WeakPolarHBondContact O-CG1 3.5Å; S72-I76 PolarHBondContact O-N 2.9Å |
| 73 | E | 93.6 | Very high | 91.7 | Very high | 133 Ų | 133 | 99.3 Ų | 99.3 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -45.6 | 176.4 | -174 | 175.9 | 177 | 0 | 0 | 111.1 | L69 D70 D75 I76 Y77 | L69-E73 PolarHBondContact O-N 3Å; D70-E73 PolarHBondContact O-N 2.97Å; E73-D75 PolarHBondContact O-N 3.42Å; E73-I76 PolarHBondContact O-N 3.45Å; E73-Y77 WeakPolarHBondContact O-CB 3.47Å; E73-Y77 PolarHBondContact O-N 3.36Å |
| 74 | D | 95.2 | Very high | 92.7 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.1 | -172.2 | 31.3 | 0 | 0 | 0 | 111.7 | D70 K71 Y77 K78 | D70-D74 PolarHBondContact O-N 3.07Å; K71-D74 PolarHBondContact O-N 3.29Å; D74-Y77 PolarHBondContact O-N 3.01Å; D74-K78 VanDerWaalsContact CG-CE 3.45Å; D74-K78 WeakPolarHBondContact O-CB 3.37Å; D74-K78 VanDerWaalsContact O-CG 3.3Å; D74-K78 WeakPolarHBondContact O-CG 3.37Å; D74-K78 PolarHBondContact O-N 2.97Å; D74-K78 VanDerWaalsContact OD1-CE 3.29Å; D74-K78 WeakPolarHBondContact OD1-CE 3.46Å; D74-K78 IonicContact OD1-NZ 2.79Å; D74-K78 WeakPolarHBondContact OD2-CE 3.48Å; D74-K78 IonicContact OD2-NZ 3.75Å; D74-K78 PolarHBondContact OD2-NZ 3.44Å |
| 75 | D | 95.8 | Very high | 93.6 | Very high | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 176 | -77.1 | -14.2 | 0 | 0 | 0 | 112.5 | K71 S72 E73 K78 T79 | K71-D75 WeakPolarHBondContact O-CB 3.41Å; K71-D75 PolarHBondContact O-N 3.01Å; S72-D75 PolarHBondContact O-N 3.48Å; E73-D75 PolarHBondContact O-N 3.42Å; D75-K78 IonicContact OD1-NZ 2.63Å; D75-T79 VanDerWaalsContact O-CB 3.27Å; D75-T79 WeakPolarHBondContact O-CB 3.44Å; D75-T79 PolarHBondContact O-N 2.98Å; D75-T79 PolarHBondContact O-OG1 3.34Å |
| 76 | I | 96 | Very high | 94.3 | Very high | 101 Ų | 101 | 103 Ų | 103 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 171.9 | -71.5 | 163 | 0 | 0 | 0 | 109.8 | S72 E73 T79 L80 | S72-I76 WeakPolarHBondContact O-CB 3.31Å; S72-I76 WeakPolarHBondContact O-CD1 3.37Å; S72-I76 WeakPolarHBondContact O-CG1 3.5Å; S72-I76 PolarHBondContact O-N 2.9Å; E73-I76 PolarHBondContact O-N 3.45Å; I76-T79 PolarHBondContact O-N 3.5Å; I76-L80 HydrophobicContact CG2-CD1 3.84Å; I76-L80 HydrophobicContact CG2-CG 4.33Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 3.21Å |
| 77 | Y | 97.1 | Very high | 95 | Very high | 147 Ų | 147 | 102.3 Ų | 102.3 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | -179.6 | 179.1 | -98.5 | 0 | 0 | 0 | 111.9 | E73 D74 T79 L80 H81 | E73-Y77 WeakPolarHBondContact O-CB 3.47Å; E73-Y77 PolarHBondContact O-N 3.36Å; D74-Y77 PolarHBondContact O-N 3.01Å; Y77-T79 PolarHBondContact O-N 3.47Å; Y77-L80 PolarHBondContact O-N 3.11Å; Y77-H81 WeakPolarHBondContact O-CB 3.32Å; Y77-H81 PolarHBondContact O-N 3.05Å |
| 78 | K | 96.9 | Very high | 95.5 | Very high | 95 Ų | 95 | 104.4 Ų | 104.4 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 175.6 | -73.1 | 170.1 | -169.9 | 156.5 | 0 | 111.7 | D74 D75 L80 H81 I82 | D74-K78 VanDerWaalsContact CG-CE 3.45Å; D74-K78 WeakPolarHBondContact O-CB 3.37Å; D74-K78 VanDerWaalsContact O-CG 3.3Å; D74-K78 WeakPolarHBondContact O-CG 3.37Å; D74-K78 PolarHBondContact O-N 2.97Å; D74-K78 VanDerWaalsContact OD1-CE 3.29Å; D74-K78 WeakPolarHBondContact OD1-CE 3.46Å; D74-K78 IonicContact OD1-NZ 2.79Å; D74-K78 WeakPolarHBondContact OD2-CE 3.48Å; D74-K78 IonicContact OD2-NZ 3.75Å; D74-K78 PolarHBondContact OD2-NZ 3.44Å; D75-K78 IonicContact OD1-NZ 2.63Å; K78-L80 PolarHBondContact O-N 3.39Å; K78-H81 PolarHBondContact O-N 3.37Å; K78-I82 VanDerWaalsContact O-CG1 3.32Å; K78-I82 WeakPolarHBondContact O-CG1 3.31Å; K78-I82 PolarHBondContact O-N 2.98Å |
| 79 | T | 97.5 | Very high | 96 | Very high | 92 Ų | 92 | 102.5 Ų | 102.5 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 179.6 | -61 | 0 | 0 | 0 | 0 | 111.2 | D75 I76 Y77 H81 I82 K83 | D75-T79 VanDerWaalsContact O-CB 3.27Å; D75-T79 WeakPolarHBondContact O-CB 3.44Å; D75-T79 PolarHBondContact O-N 2.98Å; D75-T79 PolarHBondContact O-OG1 3.34Å; I76-T79 PolarHBondContact O-N 3.5Å; Y77-T79 PolarHBondContact O-N 3.47Å; T79-H81 VanDerWaalsContact C-N 3.35Å; T79-H81 PolarHBondContact O-N 3.1Å; T79-I82 PolarHBondContact O-N 3.3Å; T79-K83 WeakPolarHBondContact O-CB 3.43Å; T79-K83 PolarHBondContact O-N 3.41Å |
| 80 | L | 97.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 104.3 Ų | 104.3 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.9 | -72.8 | 175.4 | 0 | 0 | 0 | 112 | I76 Y77 K78 K83 R84 | I76-L80 HydrophobicContact CG2-CD1 3.84Å; I76-L80 HydrophobicContact CG2-CG 4.33Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 3.21Å; Y77-L80 PolarHBondContact O-N 3.11Å; K78-L80 PolarHBondContact O-N 3.39Å; L80-K83 PolarHBondContact O-N 3.43Å; L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 PolarHBondContact O-N 2.95Å |
| 81 | H | 97.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 103.6 Ų | 103.6 | 34% | 0.343 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.4 | -170.3 | 85.3 | 0 | 0 | 0 | 111.8 | Y77 K78 T79 R84 K85 | Y77-H81 WeakPolarHBondContact O-CB 3.32Å; Y77-H81 PolarHBondContact O-N 3.05Å; K78-H81 PolarHBondContact O-N 3.37Å; T79-H81 VanDerWaalsContact C-N 3.35Å; T79-H81 PolarHBondContact O-N 3.1Å; H81-R84 PolarHBondContact O-N 3.19Å; H81-K85 WeakPolarHBondContact O-CG 3.49Å; H81-K85 PolarHBondContact O-N 3.01Å |
| 82 | I | 97.9 | Very high | 96.9 | Very high | 117 Ų | 117 | 105.2 Ų | 105.2 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -47.3 | 176 | -68.6 | 165.5 | 0 | 0 | 0 | 110.4 | K78 T79 R84 K85 W86 | K78-I82 VanDerWaalsContact O-CG1 3.32Å; K78-I82 WeakPolarHBondContact O-CG1 3.31Å; K78-I82 PolarHBondContact O-N 2.98Å; T79-I82 PolarHBondContact O-N 3.3Å; I82-R84 VanDerWaalsContact C-N 3.33Å; I82-R84 PolarHBondContact O-N 3.14Å; I82-K85 PolarHBondContact O-N 3.44Å; I82-W86 WeakPolarHBondContact O-CB 3.49Å; I82-W86 PolarHBondContact O-N 3.23Å |
| 83 | K | 98 | Very high | 97.2 | Very high | 118 Ų | 118 | 109 Ų | 109 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.5 | -172.4 | 173.9 | -177.3 | -74.7 | 0 | 111.8 | T79 L80 W86 M87 | T79-K83 WeakPolarHBondContact O-CB 3.43Å; T79-K83 PolarHBondContact O-N 3.41Å; L80-K83 PolarHBondContact O-N 3.43Å; K83-W86 PolarHBondContact O-N 2.86Å; K83-M87 HydrophobicContact CG-CE 4.42Å; K83-M87 HydrophobicContact CG-SD 4.48Å; K83-M87 VanDerWaalsContact O-CG 3.31Å; K83-M87 WeakPolarHBondContact O-CG 3.44Å; K83-M87 PolarHBondContact O-N 3.04Å |
| 84 | R | 98 | Very high | 97.3 | Very high | 126 Ų | 126 | 104.9 Ų | 104.9 | 48% | 0.475 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -50.6 | 174.7 | -176.6 | -175 | -64.2 | 137.7 | 1.7 | 111.2 | L80 H81 I82 W86 M87 E88 | L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 PolarHBondContact O-N 2.95Å; H81-R84 PolarHBondContact O-N 3.19Å; I82-R84 VanDerWaalsContact C-N 3.33Å; I82-R84 PolarHBondContact O-N 3.14Å; R84-W86 VanDerWaalsContact C-N 3.31Å; R84-W86 PolarHBondContact O-N 3.48Å; R84-M87 PolarHBondContact O-N 3.23Å; R84-E88 HydrophobicContact CG-CG 4.38Å; R84-E88 WeakPolarHBondContact CG-OE1 3.34Å; R84-E88 WeakPolarHBondContact O-CG 3.33Å; R84-E88 PolarHBondContact O-N 3.31Å |
| 85 | K | 98.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 108.2 Ų | 108.2 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 180 | -75.5 | -73.2 | 161.9 | -145.6 | 0 | 112.7 | H81 I82 E88 T89 | H81-K85 WeakPolarHBondContact O-CG 3.49Å; H81-K85 PolarHBondContact O-N 3.01Å; I82-K85 PolarHBondContact O-N 3.44Å; K85-E88 IonicContact NZ-OE2 3.97Å; K85-E88 PolarHBondContact NZ-OE2 3.36Å; K85-T89 WeakPolarHBondContact O-CB 3.32Å; K85-T89 PolarHBondContact O-N 3.45Å; K85-T89 PolarHBondContact O-OG1 3.46Å |
| 86 | W | 98 | Very high | 97.5 | Very high | 162 Ų | 162 | 110.1 Ų | 110.1 | 61% | 0.614 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 174 | 178 | 83.1 | 0 | 0 | 0 | 111.8 | I82 K83 R84 T89 Y90 | I82-W86 WeakPolarHBondContact O-CB 3.49Å; I82-W86 PolarHBondContact O-N 3.23Å; K83-W86 PolarHBondContact O-N 2.86Å; R84-W86 VanDerWaalsContact C-N 3.31Å; R84-W86 PolarHBondContact O-N 3.48Å; W86-T89 PolarHBondContact O-N 2.95Å; W86-Y90 WeakPolarHBondContact O-CB 3.27Å; W86-Y90 PolarHBondContact O-N 2.91Å |
| 87 | M | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 107.1 Ų | 107.1 | 38% | 0.384 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.5 | -70.2 | -174.9 | -51 | 0 | 0 | 112.4 | K83 R84 T89 Y90 V91 | K83-M87 HydrophobicContact CG-CE 4.42Å; K83-M87 HydrophobicContact CG-SD 4.48Å; K83-M87 VanDerWaalsContact O-CG 3.31Å; K83-M87 WeakPolarHBondContact O-CG 3.44Å; K83-M87 PolarHBondContact O-N 3.04Å; R84-M87 PolarHBondContact O-N 3.23Å; M87-T89 VanDerWaalsContact C-N 3.29Å; M87-T89 PolarHBondContact O-N 3.41Å; M87-Y90 PolarHBondContact O-N 3.32Å; M87-V91 WeakPolarHBondContact O-CB 3.38Å; M87-V91 WeakPolarHBondContact O-CG2 3.5Å; M87-V91 PolarHBondContact O-N 2.97Å |
| 88 | E | 97.7 | Very high | 97.5 | Very high | 92 Ų | 92 | 103.8 Ų | 103.8 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 175.9 | -75.9 | 172.1 | -173.2 | 0 | 0 | 111.1 | R84 K85 K92 | R84-E88 HydrophobicContact CG-CG 4.38Å; R84-E88 WeakPolarHBondContact CG-OE1 3.34Å; R84-E88 WeakPolarHBondContact O-CG 3.33Å; R84-E88 PolarHBondContact O-N 3.31Å; K85-E88 IonicContact NZ-OE2 3.97Å; K85-E88 PolarHBondContact NZ-OE2 3.36Å; E88-K92 VanDerWaalsContact O-CB 3.27Å; E88-K92 WeakPolarHBondContact O-CB 3.47Å; E88-K92 PolarHBondContact O-N 2.86Å; E88-K92 VanDerWaalsContact O-N 3.07Å |
| 89 | T | 97.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 103.2 Ų | 103.2 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 178.7 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | K85 W86 M87 V91 K92 E93 | K85-T89 WeakPolarHBondContact O-CB 3.32Å; K85-T89 PolarHBondContact O-N 3.45Å; K85-T89 PolarHBondContact O-OG1 3.46Å; W86-T89 PolarHBondContact O-N 2.95Å; M87-T89 VanDerWaalsContact C-N 3.29Å; M87-T89 PolarHBondContact O-N 3.41Å; T89-V91 PolarHBondContact O-N 3.21Å; T89-K92 PolarHBondContact O-N 3.04Å; T89-E93 HydrophobicContact CG2-CG 4.41Å; T89-E93 WeakPolarHBondContact O-CG 3.19Å; T89-E93 PolarHBondContact O-N 3.28Å |
| 90 | Y | 97.6 | Very high | 97.6 | Very high | 134 Ų | 134 | 103.5 Ų | 103.5 | 53% | 0.525 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 179.2 | 175.7 | -97.4 | 0 | 0 | 0 | 112.2 | W86 M87 E93 S94 | W86-Y90 WeakPolarHBondContact O-CB 3.27Å; W86-Y90 PolarHBondContact O-N 2.91Å; M87-Y90 PolarHBondContact O-N 3.32Å; Y90-E93 PolarHBondContact O-N 2.95Å; Y90-S94 VanDerWaalsContact O-CB 3.23Å; Y90-S94 WeakPolarHBondContact O-CB 3.25Å; Y90-S94 PolarHBondContact O-N 2.96Å; Y90-S94 PolarHBondContact O-OG 3.09Å |
| 91 | V | 98.1 | Very high | 97.6 | Very high | 94 Ų | 94 | 106 Ų | 106 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 178 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | M87 T89 E93 S94 F95 | M87-V91 WeakPolarHBondContact O-CB 3.38Å; M87-V91 WeakPolarHBondContact O-CG2 3.5Å; M87-V91 PolarHBondContact O-N 2.97Å; T89-V91 PolarHBondContact O-N 3.21Å; V91-E93 PolarHBondContact O-N 2.98Å; V91-S94 PolarHBondContact O-N 3.4Å; V91-F95 WeakPolarHBondContact O-CB 3.43Å; V91-F95 PolarHBondContact O-N 3.26Å |
| 92 | K | 97.9 | Very high | 97.6 | Very high | 162 Ų | 162 | 107.1 Ų | 107.1 | 70% | 0.704 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -47 | 178.8 | -178.1 | 179.9 | 179.6 | -179.8 | 0 | 112.1 | E88 T89 K96 | E88-K92 VanDerWaalsContact O-CB 3.27Å; E88-K92 WeakPolarHBondContact O-CB 3.47Å; E88-K92 PolarHBondContact O-N 2.86Å; E88-K92 VanDerWaalsContact O-N 3.07Å; T89-K92 PolarHBondContact O-N 3.04Å; K92-K96 WeakPolarHBondContact O-CB 3.29Å; K92-K96 PolarHBondContact O-N 3.14Å |
| 93 | E | 96.9 | Very high | 97.6 | Very high | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 178.9 | -71.1 | 179.4 | 170.2 | 0 | 0 | 111.8 | T89 Y90 V91 K96 G97 | T89-E93 HydrophobicContact CG2-CG 4.41Å; T89-E93 WeakPolarHBondContact O-CG 3.19Å; T89-E93 PolarHBondContact O-N 3.28Å; Y90-E93 PolarHBondContact O-N 2.95Å; V91-E93 PolarHBondContact O-N 2.98Å; E93-K96 PolarHBondContact O-N 2.91Å; E93-G97 PolarHBondContact O-N 3.29Å |
| 94 | S | 96.8 | Very high | 97.7 | Very high | 46 Ų | 46 | 108.2 Ų | 108.2 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 178 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | Y90 V91 S98 | Y90-S94 VanDerWaalsContact O-CB 3.23Å; Y90-S94 WeakPolarHBondContact O-CB 3.25Å; Y90-S94 PolarHBondContact O-N 2.96Å; Y90-S94 PolarHBondContact O-OG 3.09Å; V91-S94 PolarHBondContact O-N 3.4Å; S94-S98 WeakPolarHBondContact O-CB 3.47Å; S94-S98 PolarHBondContact O-N 3.4Å; S94-S98 PolarHBondContact O-OG 3.35Å |
| 95 | F | 97.3 | Very high | 97.7 | Very high | 147 Ų | 147 | 108.9 Ų | 108.9 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -43 | 176.8 | -164.9 | -96.1 | 0 | 0 | 0 | 111.3 | V91 G97 S98 N99 | V91-F95 WeakPolarHBondContact O-CB 3.43Å; V91-F95 PolarHBondContact O-N 3.26Å; F95-G97 PolarHBondContact O-N 2.9Å; F95-S98 PolarHBondContact O-N 3.35Å; F95-N99 WeakPolarHBondContact O-CB 3.39Å; F95-N99 PolarHBondContact O-N 3.03Å |
| 96 | K | 97.4 | Very high | 97.6 | Very high | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.8 | -48.5 | 175.7 | -176.8 | -177.9 | 178.4 | -175 | 0 | 111.9 | K92 E93 N99 Q100 | K92-K96 WeakPolarHBondContact O-CB 3.29Å; K92-K96 PolarHBondContact O-N 3.14Å; E93-K96 PolarHBondContact O-N 2.91Å; K96-N99 PolarHBondContact O-N 3.43Å; K96-Q100 WeakPolarHBondContact O-CG 3.37Å; K96-Q100 PolarHBondContact O-N 3.42Å; K96-Q100 VanDerWaalsContact O-N 3.08Å |
| 97 | G | 95.8 | Very high | 97.7 | Very high | 37 Ų | 37 | 104.6 Ų | 104.6 | 38% | 0.381 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E93 F95 K101 | E93-G97 PolarHBondContact O-N 3.29Å; F95-G97 PolarHBondContact O-N 2.9Å; G97-K101 PolarHBondContact O-N 3.19Å; G97-K101 VanDerWaalsContact O-N 3.12Å |
| 98 | S | 97.4 | Very high | 97.7 | Very high | 78 Ų | 78 | 103.8 Ų | 103.8 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | S94 F95 Q100 K101 L102 | S94-S98 WeakPolarHBondContact O-CB 3.47Å; S94-S98 PolarHBondContact O-N 3.4Å; S94-S98 PolarHBondContact O-OG 3.35Å; F95-S98 PolarHBondContact O-N 3.35Å; S98-Q100 PolarHBondContact O-N 3.01Å; S98-K101 WeakPolarHBondContact O-CB 3.42Å; S98-K101 PolarHBondContact O-N 3Å; S98-K101 VanDerWaalsContact O-N 3.12Å; S98-L102 PolarHBondContact O-N 3.03Å |
| 99 | N | 97.7 | Very high | 97.7 | Very high | 83 Ų | 83 | 102.8 Ų | 102.8 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | -179.8 | -155.8 | 44.8 | 0 | 0 | 0 | 111.8 | F95 K96 K101 L102 E103 | F95-N99 WeakPolarHBondContact O-CB 3.39Å; F95-N99 PolarHBondContact O-N 3.03Å; K96-N99 PolarHBondContact O-N 3.43Å; N99-K101 VanDerWaalsContact C-N 3.27Å; N99-K101 PolarHBondContact O-N 3.03Å; N99-L102 PolarHBondContact O-N 3.42Å; N99-E103 WeakPolarHBondContact O-CB 3.38Å; N99-E103 PolarHBondContact O-N 2.88Å |
| 100 | Q | 97.9 | Very high | 97.7 | Very high | 97 Ų | 97 | 104.9 Ų | 104.9 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 173.9 | -73.5 | -179.8 | -11.7 | 0 | 0 | 113.2 | K96 S98 R104 | K96-Q100 WeakPolarHBondContact O-CG 3.37Å; K96-Q100 PolarHBondContact O-N 3.42Å; K96-Q100 VanDerWaalsContact O-N 3.08Å; S98-Q100 PolarHBondContact O-N 3.01Å; Q100-R104 WeakPolarHBondContact O-CG 3.35Å; Q100-R104 PolarHBondContact O-N 3.08Å; Q100-R104 PolarHBondContact O-NE 3.24Å |
| 101 | K | 97.9 | Very high | 97.7 | Very high | 151 Ų | 151 | 106.5 Ų | 106.5 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.7 | -44.1 | 174.8 | -173.4 | 178.3 | 178.2 | -176.8 | 0 | 110.8 | G97 S98 N99 R104 F105 | G97-K101 PolarHBondContact O-N 3.19Å; G97-K101 VanDerWaalsContact O-N 3.12Å; S98-K101 WeakPolarHBondContact O-CB 3.42Å; S98-K101 PolarHBondContact O-N 3Å; S98-K101 VanDerWaalsContact O-N 3.12Å; N99-K101 VanDerWaalsContact C-N 3.27Å; N99-K101 PolarHBondContact O-N 3.03Å; K101-R104 PolarHBondContact O-N 2.95Å; K101-F105 PolarHBondContact O-N 3.06Å |
| 102 | L | 97.9 | Very high | 97.7 | Very high | 98 Ų | 98 | 107.4 Ų | 107.4 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 176.5 | -178.8 | 60.6 | 0 | 0 | 0 | 111.2 | S98 N99 R104 F105 C106 | S98-L102 PolarHBondContact O-N 3.03Å; N99-L102 PolarHBondContact O-N 3.42Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.3Å; L102-F105 WeakPolarHBondContact O-CB 3.38Å; L102-F105 PolarHBondContact O-N 2.97Å; L102-F105 VanDerWaalsContact O-N 3.08Å; L102-C106 PolarHBondContact O-N 3.4Å; L102-C106 PolarHBondContact O-SG 3.39Å; L102-C106 VanDerWaalsContact O-SG 3.35Å |
| 103 | E | 98.1 | Very high | 97.7 | Very high | 92 Ų | 92 | 108.1 Ų | 108.1 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 178.6 | -171.4 | -169.6 | 166.7 | 0 | 0 | 112.1 | N99 F105 C106 K107 | N99-E103 WeakPolarHBondContact O-CB 3.38Å; N99-E103 PolarHBondContact O-N 2.88Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.38Å; E103-C106 PolarHBondContact O-N 3.08Å; E103-K107 HydrophobicContact CG-CD 4.24Å; E103-K107 WeakPolarHBondContact O-CB 3.41Å; E103-K107 WeakPolarHBondContact O-CG 3.33Å; E103-K107 PolarHBondContact O-N 3.31Å; E103-K107 WeakPolarHBondContact OE1-CE 3.48Å; E103-K107 IonicContact OE1-NZ 2.64Å; E103-K107 PolarHBondContact OE1-NZ 3.39Å |
| 104 | R | 98.3 | Very high | 97.8 | Very high | 165 Ų | 165 | 107.5 Ų | 107.5 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | 176 | -77.2 | -174.4 | -69 | 172 | -2.8 | 112.3 | Q100 K101 L102 T108 | Q100-R104 WeakPolarHBondContact O-CG 3.35Å; Q100-R104 PolarHBondContact O-N 3.08Å; Q100-R104 PolarHBondContact O-NE 3.24Å; K101-R104 PolarHBondContact O-N 2.95Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.3Å; R104-T108 WeakPolarHBondContact O-CB 3.46Å; R104-T108 PolarHBondContact O-N 2.92Å; R104-T108 PolarHBondContact O-OG1 3.12Å |
| 105 | F | 98.1 | Very high | 97.9 | Very high | 141 Ų | 141 | 109 Ų | 109 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -49.8 | 176.4 | 177.5 | -96.8 | 0 | 0 | 0 | 111 | K101 L102 E103 K107 T108 N109 | K101-F105 PolarHBondContact O-N 3.06Å; L102-F105 WeakPolarHBondContact O-CB 3.38Å; L102-F105 PolarHBondContact O-N 2.97Å; L102-F105 VanDerWaalsContact O-N 3.08Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.38Å; F105-K107 PolarHBondContact O-N 2.96Å; F105-T108 PolarHBondContact O-N 3.4Å; F105-T108 VanDerWaalsContact O-N 3.17Å; F105-N109 WeakPolarHBondContact O-CB 3.42Å; F105-N109 PolarHBondContact O-N 3.44Å |
| 106 | C | 97.9 | Very high | 97.9 | Very high | 64 Ų | 64 | 107.5 Ų | 107.5 | 43% | 0.432 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.4 | -49.7 | 177.9 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | L102 E103 T108 N109 E110 | L102-C106 PolarHBondContact O-N 3.4Å; L102-C106 PolarHBondContact O-SG 3.39Å; L102-C106 VanDerWaalsContact O-SG 3.35Å; E103-C106 PolarHBondContact O-N 3.08Å; C106-T108 VanDerWaalsContact C-N 3.27Å; C106-T108 PolarHBondContact O-N 3.23Å; C106-N109 PolarHBondContact O-N 3.15Å; C106-E110 WeakPolarHBondContact O-CB 3.38Å; C106-E110 PolarHBondContact O-N 2.97Å |
| 107 | K | 98.4 | Very high | 97.9 | Very high | 107 Ų | 107 | 104.3 Ų | 104.3 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -35.8 | 177.6 | -74.8 | 177.1 | 172.3 | 173.8 | 0 | 113.2 | E103 F105 R111 | E103-K107 HydrophobicContact CG-CD 4.24Å; E103-K107 WeakPolarHBondContact O-CB 3.41Å; E103-K107 WeakPolarHBondContact O-CG 3.33Å; E103-K107 PolarHBondContact O-N 3.31Å; E103-K107 WeakPolarHBondContact OE1-CE 3.48Å; E103-K107 IonicContact OE1-NZ 2.64Å; E103-K107 PolarHBondContact OE1-NZ 3.39Å; F105-K107 PolarHBondContact O-N 2.96Å; K107-R111 WeakPolarHBondContact O-CB 3.36Å; K107-R111 PolarHBondContact O-N 3.44Å |
| 108 | T | 98.4 | Very high | 98 | Very high | 60 Ų | 60 | 105.7 Ų | 105.7 | 37% | 0.368 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.5 | -46.8 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | R104 F105 C106 E110 R111 E112 | R104-T108 WeakPolarHBondContact O-CB 3.46Å; R104-T108 PolarHBondContact O-N 2.92Å; R104-T108 PolarHBondContact O-OG1 3.12Å; F105-T108 PolarHBondContact O-N 3.4Å; F105-T108 VanDerWaalsContact O-N 3.17Å; C106-T108 VanDerWaalsContact C-N 3.27Å; C106-T108 PolarHBondContact O-N 3.23Å; T108-E110 PolarHBondContact O-N 2.93Å; T108-R111 PolarHBondContact O-N 3.49Å; T108-E112 WeakPolarHBondContact O-CG 3.34Å; T108-E112 PolarHBondContact O-N 3.49Å |
| 109 | N | 97.9 | Very high | 98 | Very high | 71 Ų | 71 | 107.5 Ų | 107.5 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.9 | 178.6 | 73.2 | 0 | 0 | 0 | 112.2 | F105 C106 R111 E112 R113 | F105-N109 WeakPolarHBondContact O-CB 3.42Å; F105-N109 PolarHBondContact O-N 3.44Å; C106-N109 PolarHBondContact O-N 3.15Å; N109-R111 PolarHBondContact O-N 2.95Å; N109-E112 PolarHBondContact O-N 2.88Å; N109-R113 WeakPolarHBondContact O-CG 3.38Å; N109-R113 PolarHBondContact O-N 3.36Å |
| 110 | E | 97.9 | Very high | 98 | Very high | 113 Ų | 113 | 108.5 Ų | 108.5 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.5 | -169 | -160.3 | 145.8 | 0 | 0 | 111.5 | C106 T108 E112 R113 K114 | C106-E110 WeakPolarHBondContact O-CB 3.38Å; C106-E110 PolarHBondContact O-N 2.97Å; T108-E110 PolarHBondContact O-N 2.93Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 3.3Å; E110-R113 PolarHBondContact O-N 3.5Å; E110-K114 PolarHBondContact O-N 3.14Å |
| 111 | R | 98.2 | Very high | 98 | Very high | 167 Ų | 167 | 105.4 Ų | 105.4 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 176.5 | -171.2 | -169.8 | -58 | 135.6 | 4 | 112.1 | K107 T108 N109 K114 N115 | K107-R111 WeakPolarHBondContact O-CB 3.36Å; K107-R111 PolarHBondContact O-N 3.44Å; T108-R111 PolarHBondContact O-N 3.49Å; N109-R111 PolarHBondContact O-N 2.95Å; R111-K114 PolarHBondContact O-N 2.86Å; R111-N115 WeakPolarHBondContact O-CB 3.45Å; R111-N115 PolarHBondContact O-N 2.94Å |
| 112 | E | 98.3 | Very high | 98 | Very high | 113 Ų | 113 | 104.1 Ų | 104.1 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 177.6 | -74.5 | -177.6 | 176.9 | 0 | 0 | 111.7 | T108 N109 E110 K114 N115 I116 | T108-E112 WeakPolarHBondContact O-CG 3.34Å; T108-E112 PolarHBondContact O-N 3.49Å; N109-E112 PolarHBondContact O-N 2.88Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 3.3Å; E112-K114 PolarHBondContact O-N 3.4Å; E112-N115 PolarHBondContact O-N 2.91Å; E112-I116 WeakPolarHBondContact O-CG1 3.39Å; E112-I116 PolarHBondContact O-N 3.14Å |
| 113 | R | 98.1 | Very high | 98 | Very high | 178 Ų | 178 | 105.4 Ų | 105.4 | 67% | 0.672 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.1 | -46.9 | 174.3 | -72.2 | 178.2 | 67.6 | 135 | -1.5 | 111.5 | N109 E110 N115 I116 N117 | N109-R113 WeakPolarHBondContact O-CG 3.38Å; N109-R113 PolarHBondContact O-N 3.36Å; E110-R113 PolarHBondContact O-N 3.5Å; R113-N115 VanDerWaalsContact C-N 3.34Å; R113-N115 PolarHBondContact O-N 3.06Å; R113-I116 PolarHBondContact O-N 3.22Å; R113-N117 WeakPolarHBondContact O-CB 3.43Å; R113-N117 PolarHBondContact O-N 3.09Å |
| 114 | K | 97.9 | Very high | 97.9 | Very high | 116 Ų | 116 | 106.6 Ų | 106.6 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.7 | -170.6 | 167.3 | -171.7 | 156.7 | 0 | 111.8 | E110 R111 E112 N117 N118 | E110-K114 PolarHBondContact O-N 3.14Å; R111-K114 PolarHBondContact O-N 2.86Å; E112-K114 PolarHBondContact O-N 3.4Å; K114-N117 PolarHBondContact O-N 3.42Å; K114-N118 WeakPolarHBondContact O-CB 3.45Å; K114-N118 PolarHBondContact O-N 2.9Å; K114-N118 PolarHBondContact O-OD1 2.89Å |
| 115 | N | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 42% | 0.417 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.5 | -178.8 | 46.1 | 0 | 0 | 0 | 112.5 | R111 E112 R113 N118 K119 | R111-N115 WeakPolarHBondContact O-CB 3.45Å; R111-N115 PolarHBondContact O-N 2.94Å; E112-N115 PolarHBondContact O-N 2.91Å; R113-N115 VanDerWaalsContact C-N 3.34Å; R113-N115 PolarHBondContact O-N 3.06Å; N115-N118 PolarHBondContact O-N 3.38Å; N115-K119 WeakPolarHBondContact O-CG 3.42Å; N115-K119 PolarHBondContact O-N 3.39Å; N115-K119 VanDerWaalsContact O-N 3.07Å; N115-K119 WeakPolarHBondContact OD1-CE 3.43Å |
| 116 | I | 97.8 | Very high | 97.9 | Very high | 115 Ų | 115 | 99.8 Ų | 99.8 | 59% | 0.59 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | 176 | -68.1 | 165.8 | 0 | 0 | 0 | 110.2 | E112 R113 N118 K119 F120 | E112-I116 WeakPolarHBondContact O-CG1 3.39Å; E112-I116 PolarHBondContact O-N 3.14Å; R113-I116 PolarHBondContact O-N 3.22Å; I116-N118 PolarHBondContact O-N 3.22Å; I116-K119 PolarHBondContact O-N 3.17Å; I116-F120 PolarHBondContact O-N 3.43Å |
| 117 | N | 98 | Very high | 97.9 | Very high | 66 Ų | 66 | 101.1 Ų | 101.1 | 35% | 0.353 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 179.2 | -171.5 | 57.4 | 0 | 0 | 0 | 112 | R113 K114 F120 C121 | R113-N117 WeakPolarHBondContact O-CB 3.43Å; R113-N117 PolarHBondContact O-N 3.09Å; K114-N117 PolarHBondContact O-N 3.42Å; N117-F120 PolarHBondContact O-N 3.36Å; N117-C121 WeakPolarHBondContact O-CB 3.39Å; N117-C121 PolarHBondContact O-N 3.22Å; N117-C121 PolarHBondContact O-SG 3.41Å |
| 118 | N | 97.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 102 Ų | 102 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 178.3 | -72.1 | -4.8 | 0 | 0 | 0 | 111.7 | K114 N115 I116 F120 C121 E122 | K114-N118 WeakPolarHBondContact O-CB 3.45Å; K114-N118 PolarHBondContact O-N 2.9Å; K114-N118 PolarHBondContact O-OD1 2.89Å; N115-N118 PolarHBondContact O-N 3.38Å; I116-N118 PolarHBondContact O-N 3.22Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.28Å; N118-C121 PolarHBondContact O-N 3.03Å; N118-E122 WeakPolarHBondContact O-CG 3.42Å; N118-E122 PolarHBondContact O-N 3.21Å |
| 119 | K | 97.9 | Very high | 97.9 | Very high | 116 Ų | 116 | 103.5 Ų | 103.5 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 176.7 | -73.8 | 176 | 179.3 | -177.9 | 0 | 112.1 | N115 I116 Q123 | N115-K119 WeakPolarHBondContact O-CG 3.42Å; N115-K119 PolarHBondContact O-N 3.39Å; N115-K119 VanDerWaalsContact O-N 3.07Å; N115-K119 WeakPolarHBondContact OD1-CE 3.43Å; I116-K119 PolarHBondContact O-N 3.17Å; K119-Q123 WeakPolarHBondContact O-CG 3.33Å; K119-Q123 PolarHBondContact O-N 3.41Å |
| 120 | F | 97.6 | Very high | 97.9 | Very high | 104 Ų | 104 | 106.7 Ų | 106.7 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 176.8 | -172.5 | -100.3 | 0 | 0 | 0 | 111.4 | I116 N117 N118 E122 Q123 Y124 | I116-F120 PolarHBondContact O-N 3.43Å; N117-F120 PolarHBondContact O-N 3.36Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.28Å; F120-E122 VanDerWaalsContact C-N 3.34Å; F120-E122 PolarHBondContact O-N 3.46Å; F120-Q123 WeakPolarHBondContact O-CB 3.33Å; F120-Q123 PolarHBondContact O-N 3.2Å; F120-Y124 AromaticContact CD1-CD2 3.85Å; F120-Y124 HydrophobicContact CD1-CD2 3.85Å; F120-Y124 AromaticContact CD1-CE2 3.84Å; F120-Y124 HydrophobicContact CD1-CE2 3.84Å; F120-Y124 HydrophobicContact CD2-CD2 4.49Å; F120-Y124 HydrophobicContact CD2-CE2 4.16Å; F120-Y124 AromaticContact CE1-CD2 3.64Å; F120-Y124 HydrophobicContact CE1-CD2 3.64Å; F120-Y124 AromaticContact CE1-CE2 3.18Å; F120-Y124 HydrophobicContact CE1-CE2 3.18Å; F120-Y124 AromaticContact CE1-CZ 3.82Å; F120-Y124 HydrophobicContact CE2-CD2 4.32Å; F120-Y124 AromaticContact CE2-CE2 3.56Å; F120-Y124 HydrophobicContact CE2-CE2 3.56Å; F120-Y124 HydrophobicContact CG-CD2 4.31Å; F120-Y124 HydrophobicContact CG-CE2 4.31Å; F120-Y124 AromaticContact CZ-CD2 3.93Å; F120-Y124 HydrophobicContact CZ-CD2 3.93Å; F120-Y124 AromaticContact CZ-CE2 3.06Å; F120-Y124 HydrophobicContact CZ-CE2 3.06Å; F120-Y124 AromaticContact CZ-CZ 3.65Å; F120-Y124 WeakPolarHBondContact O-CD2 3.44Å; F120-Y124 PolarHBondContact O-N 2.96Å |
| 121 | C | 97.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 104 Ų | 104 | 22% | 0.216 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 176 | -69.3 | 0 | 0 | 0 | 0 | 112 | N117 N118 Q123 Y124 I125 | N117-C121 WeakPolarHBondContact O-CB 3.39Å; N117-C121 PolarHBondContact O-N 3.22Å; N117-C121 PolarHBondContact O-SG 3.41Å; N118-C121 PolarHBondContact O-N 3.03Å; C121-Q123 VanDerWaalsContact C-N 3.31Å; C121-Q123 PolarHBondContact O-N 2.95Å; C121-Y124 PolarHBondContact O-N 2.99Å; C121-I125 VanDerWaalsContact O-CG1 3.29Å; C121-I125 WeakPolarHBondContact O-CG1 3.4Å; C121-I125 PolarHBondContact O-N 3.14Å |
| 122 | E | 97.8 | Very high | 98 | Very high | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.2 | -41.7 | 175.7 | -75.5 | 174.5 | -176.7 | 0 | 0 | 112.3 | N118 F120 T126 | N118-E122 WeakPolarHBondContact O-CG 3.42Å; N118-E122 PolarHBondContact O-N 3.21Å; F120-E122 VanDerWaalsContact C-N 3.34Å; F120-E122 PolarHBondContact O-N 3.46Å; E122-T126 WeakPolarHBondContact O-CB 3.27Å; E122-T126 PolarHBondContact O-N 2.75Å; E122-T126 PolarHBondContact O-OG1 3.34Å |
| 123 | Q | 97.9 | Very high | 98 | Very high | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 175.3 | -72.8 | -178 | -5.6 | 0 | 0 | 111.9 | K119 F120 C121 T126 T127 | K119-Q123 WeakPolarHBondContact O-CG 3.33Å; K119-Q123 PolarHBondContact O-N 3.41Å; F120-Q123 WeakPolarHBondContact O-CB 3.33Å; F120-Q123 PolarHBondContact O-N 3.2Å; C121-Q123 VanDerWaalsContact C-N 3.31Å; C121-Q123 PolarHBondContact O-N 2.95Å; Q123-T126 PolarHBondContact O-N 3.36Å; Q123-T127 WeakPolarHBondContact O-CB 3.34Å; Q123-T127 PolarHBondContact O-N 2.88Å; Q123-T127 PolarHBondContact O-OG1 2.89Å |
| 124 | Y | 97.3 | Very high | 98 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 177.8 | -91.9 | -101.3 | 0 | 0 | 0 | 111.7 | F120 C121 T126 T127 F128 | F120-Y124 AromaticContact CD1-CD2 3.85Å; F120-Y124 HydrophobicContact CD1-CD2 3.85Å; F120-Y124 AromaticContact CD1-CE2 3.84Å; F120-Y124 HydrophobicContact CD1-CE2 3.84Å; F120-Y124 HydrophobicContact CD2-CD2 4.49Å; F120-Y124 HydrophobicContact CD2-CE2 4.16Å; F120-Y124 AromaticContact CE1-CD2 3.64Å; F120-Y124 HydrophobicContact CE1-CD2 3.64Å; F120-Y124 AromaticContact CE1-CE2 3.18Å; F120-Y124 HydrophobicContact CE1-CE2 3.18Å; F120-Y124 AromaticContact CE1-CZ 3.82Å; F120-Y124 HydrophobicContact CE2-CD2 4.32Å; F120-Y124 AromaticContact CE2-CE2 3.56Å; F120-Y124 HydrophobicContact CE2-CE2 3.56Å; F120-Y124 HydrophobicContact CG-CD2 4.31Å; F120-Y124 HydrophobicContact CG-CE2 4.31Å; F120-Y124 AromaticContact CZ-CD2 3.93Å; F120-Y124 HydrophobicContact CZ-CD2 3.93Å; F120-Y124 AromaticContact CZ-CE2 3.06Å; F120-Y124 HydrophobicContact CZ-CE2 3.06Å; F120-Y124 AromaticContact CZ-CZ 3.65Å; F120-Y124 WeakPolarHBondContact O-CD2 3.44Å; F120-Y124 PolarHBondContact O-N 2.96Å; C121-Y124 PolarHBondContact O-N 2.99Å; Y124-T126 VanDerWaalsContact C-N 3.32Å; Y124-T126 PolarHBondContact O-N 3.19Å; Y124-T127 PolarHBondContact O-N 3.5Å; Y124-F128 HydrophobicContact CD1-CD2 4.4Å; Y124-F128 AromaticContact CD1-CE2 3.68Å; Y124-F128 HydrophobicContact CD1-CE2 3.68Å; Y124-F128 HydrophobicContact CD1-CZ 4.34Å; Y124-F128 HydrophobicContact CE1-CE2 4.49Å; Y124-F128 WeakPolarHBondContact O-CD2 3.38Å; Y124-F128 PolarHBondContact O-N 3.19Å |
| 125 | I | 97.6 | Very high | 98 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 38% | 0.379 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 178.2 | -69.8 | 166.4 | 0 | 0 | 0 | 110.2 | C121 T127 F128 Q129 | C121-I125 VanDerWaalsContact O-CG1 3.29Å; C121-I125 WeakPolarHBondContact O-CG1 3.4Å; C121-I125 PolarHBondContact O-N 3.14Å; I125-T127 VanDerWaalsContact C-N 3.33Å; I125-T127 PolarHBondContact O-N 3.45Å; I125-F128 PolarHBondContact O-N 3.07Å; I125-Q129 HydrophobicContact CG2-CG 4.46Å; I125-Q129 WeakPolarHBondContact O-CB 3.39Å; I125-Q129 VanDerWaalsContact O-CG 3.25Å; I125-Q129 WeakPolarHBondContact O-CG 3.36Å; I125-Q129 PolarHBondContact O-N 2.97Å |
| 126 | T | 98 | Very high | 98 | Very high | 88 Ų | 88 | 97.9 Ų | 97.9 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 179.8 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | E122 Q123 Y124 K130 | E122-T126 WeakPolarHBondContact O-CB 3.27Å; E122-T126 PolarHBondContact O-N 2.75Å; E122-T126 PolarHBondContact O-OG1 3.34Å; Q123-T126 PolarHBondContact O-N 3.36Å; Y124-T126 VanDerWaalsContact C-N 3.32Å; Y124-T126 PolarHBondContact O-N 3.19Å; T126-K130 PolarHBondContact O-N 2.86Å |
| 127 | T | 98.4 | Very high | 98.1 | Very high | 93 Ų | 93 | 98.2 Ų | 98.2 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | -179.9 | -58 | 0 | 0 | 0 | 0 | 111.5 | Q123 Y124 I125 K130 S131 | Q123-T127 WeakPolarHBondContact O-CB 3.34Å; Q123-T127 PolarHBondContact O-N 2.88Å; Q123-T127 PolarHBondContact O-OG1 2.89Å; Y124-T127 PolarHBondContact O-N 3.5Å; I125-T127 VanDerWaalsContact C-N 3.33Å; I125-T127 PolarHBondContact O-N 3.45Å; T127-K130 PolarHBondContact O-N 3.26Å; T127-S131 PolarHBondContact O-N 3.01Å |
| 128 | F | 98.1 | Very high | 98.1 | Very high | 124 Ų | 124 | 101.2 Ų | 101.2 | 54% | 0.544 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 178.2 | -76.8 | -57.5 | 0 | 0 | 0 | 112.5 | Y124 I125 K130 S131 D132 | Y124-F128 HydrophobicContact CD1-CD2 4.4Å; Y124-F128 AromaticContact CD1-CE2 3.68Å; Y124-F128 HydrophobicContact CD1-CE2 3.68Å; Y124-F128 HydrophobicContact CD1-CZ 4.34Å; Y124-F128 HydrophobicContact CE1-CE2 4.49Å; Y124-F128 WeakPolarHBondContact O-CD2 3.38Å; Y124-F128 PolarHBondContact O-N 3.19Å; I125-F128 PolarHBondContact O-N 3.07Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 3.19Å; F128-S131 WeakPolarHBondContact O-CB 3.36Å; F128-S131 PolarHBondContact O-N 3.42Å; F128-S131 VanDerWaalsContact O-N 3.14Å; F128-D132 PolarHBondContact O-N 2.79Å |
| 129 | Q | 98.1 | Very high | 98.1 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 174.6 | -75.7 | 173.8 | -4.5 | 0 | 0 | 111.9 | I125 D132 M133 | I125-Q129 HydrophobicContact CG2-CG 4.46Å; I125-Q129 WeakPolarHBondContact O-CB 3.39Å; I125-Q129 VanDerWaalsContact O-CG 3.25Å; I125-Q129 WeakPolarHBondContact O-CG 3.36Å; I125-Q129 PolarHBondContact O-N 2.97Å; Q129-D132 PolarHBondContact O-N 3.26Å; Q129-M133 WeakPolarHBondContact O-CG 3.48Å; Q129-M133 PolarHBondContact O-N 3.41Å; Q129-M133 VanDerWaalsContact O-N 3.09Å |
| 130 | K | 98.3 | Very high | 98.1 | Very high | 137 Ų | 137 | 99.8 Ų | 99.8 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 175.1 | -174 | -178.2 | 176.9 | -174.7 | 0 | 111.4 | T126 T127 F128 D132 M133 D134 | T126-K130 PolarHBondContact O-N 2.86Å; T127-K130 PolarHBondContact O-N 3.26Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 3.19Å; K130-D132 VanDerWaalsContact C-N 3.31Å; K130-D132 PolarHBondContact O-N 3.36Å; K130-M133 WeakPolarHBondContact O-CB 3.49Å; K130-M133 PolarHBondContact O-N 2.91Å; K130-D134 PolarHBondContact O-N 3.03Å |
| 131 | S | 98.5 | Very high | 98.2 | Very high | 58 Ų | 58 | 99.9 Ų | 99.9 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | T127 F128 D134 V135 | T127-S131 PolarHBondContact O-N 3.01Å; F128-S131 WeakPolarHBondContact O-CB 3.36Å; F128-S131 PolarHBondContact O-N 3.42Å; F128-S131 VanDerWaalsContact O-N 3.14Å; S131-D134 PolarHBondContact O-N 2.91Å; S131-V135 WeakPolarHBondContact O-CG2 3.35Å; S131-V135 PolarHBondContact O-N 3.45Å |
| 132 | D | 98.5 | Very high | 98.2 | Very high | 107 Ų | 107 | 103.3 Ų | 103.3 | 57% | 0.572 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 177.4 | -74 | -19.2 | 0 | 0 | 0 | 111.7 | F128 Q129 K130 V135 Q136 | F128-D132 PolarHBondContact O-N 2.79Å; Q129-D132 PolarHBondContact O-N 3.26Å; K130-D132 VanDerWaalsContact C-N 3.31Å; K130-D132 PolarHBondContact O-N 3.36Å; D132-V135 PolarHBondContact O-N 3.07Å; D132-Q136 PolarHBondContact O-N 3.36Å |
| 133 | M | 98.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 103.5 Ų | 103.5 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 174.1 | -72 | 177.7 | 60.1 | 0 | 0 | 112.1 | Q129 K130 V135 Q136 K137 | Q129-M133 WeakPolarHBondContact O-CG 3.48Å; Q129-M133 PolarHBondContact O-N 3.41Å; Q129-M133 VanDerWaalsContact O-N 3.09Å; K130-M133 WeakPolarHBondContact O-CB 3.49Å; K130-M133 PolarHBondContact O-N 2.91Å; M133-V135 VanDerWaalsContact C-N 3.34Å; M133-V135 PolarHBondContact O-N 3.49Å; M133-Q136 PolarHBondContact O-N 2.96Å; M133-K137 PolarHBondContact O-N 2.95Å |
| 134 | D | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 104.4 Ų | 104.4 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 179.2 | -71.6 | -23.2 | 0 | 0 | 0 | 111 | K130 S131 K137 F138 | K130-D134 PolarHBondContact O-N 3.03Å; S131-D134 PolarHBondContact O-N 2.91Å; D134-K137 PolarHBondContact O-N 3.07Å; D134-F138 WeakPolarHBondContact O-CB 3.46Å; D134-F138 PolarHBondContact O-N 3.27Å |
| 135 | V | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | S131 D132 M133 N139 | S131-V135 WeakPolarHBondContact O-CG2 3.35Å; S131-V135 PolarHBondContact O-N 3.45Å; D132-V135 PolarHBondContact O-N 3.07Å; M133-V135 VanDerWaalsContact C-N 3.34Å; M133-V135 PolarHBondContact O-N 3.49Å; V135-N139 PolarHBondContact O-N 3.35Å; V135-N139 VanDerWaalsContact O-N 3.08Å; V135-N139 PolarHBondContact O-ND2 3.44Å |
| 136 | Q | 98.4 | Very high | 98.4 | Very high | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -49.7 | 175.6 | -175.2 | -177.9 | -26.1 | 0 | 0 | 110.8 | D132 M133 F138 N139 E140 | D132-Q136 PolarHBondContact O-N 3.36Å; M133-Q136 PolarHBondContact O-N 2.96Å; Q136-F138 VanDerWaalsContact C-N 3.34Å; Q136-F138 PolarHBondContact O-N 3.32Å; Q136-N139 WeakPolarHBondContact O-CB 3.41Å; Q136-N139 PolarHBondContact O-N 2.63Å; Q136-N139 VanDerWaalsContact O-N 3.08Å; Q136-E140 PolarHBondContact NE2-OE1 2.95Å; Q136-E140 VanDerWaalsContact NE2-OE1 3.15Å; Q136-E140 PolarHBondContact O-N 3.38Å |
| 137 | K | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 102.4 Ų | 102.4 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 179 | -173.1 | -178.6 | 175.9 | -171 | 0 | 112 | M133 D134 N139 E140 E141 | M133-K137 PolarHBondContact O-N 2.95Å; D134-K137 PolarHBondContact O-N 3.07Å; K137-N139 VanDerWaalsContact C-N 3.29Å; K137-N139 PolarHBondContact O-N 2.96Å; K137-E140 PolarHBondContact O-N 3.19Å; K137-E141 VanDerWaalsContact CE-OE1 3.32Å; K137-E141 WeakPolarHBondContact CE-OE1 3.34Å; K137-E141 PolarHBondContact O-N 3.49Å |
| 138 | F | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 100.7 Ų | 100.7 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58 | -42.1 | 174.8 | 173.6 | -99.3 | 0 | 0 | 0 | 111.9 | D134 Q136 E141 K142 | D134-F138 WeakPolarHBondContact O-CB 3.46Å; D134-F138 PolarHBondContact O-N 3.27Å; Q136-F138 VanDerWaalsContact C-N 3.34Å; Q136-F138 PolarHBondContact O-N 3.32Å; F138-E141 PolarHBondContact O-N 3.28Å; F138-K142 HydrophobicContact CE1-CD 4.42Å; F138-K142 VanDerWaalsContact O-CB 3.27Å; F138-K142 WeakPolarHBondContact O-CB 3.4Å; F138-K142 PolarHBondContact O-N 3.06Å |
| 139 | N | 98.4 | Very high | 98.4 | Very high | 65 Ų | 65 | 98.4 Ų | 98.4 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 178.6 | -79.7 | -48.3 | 0 | 0 | 0 | 112.7 | V135 Q136 K137 K142 E143 | V135-N139 PolarHBondContact O-N 3.35Å; V135-N139 VanDerWaalsContact O-N 3.08Å; V135-N139 PolarHBondContact O-ND2 3.44Å; Q136-N139 WeakPolarHBondContact O-CB 3.41Å; Q136-N139 PolarHBondContact O-N 2.63Å; Q136-N139 VanDerWaalsContact O-N 3.08Å; K137-N139 VanDerWaalsContact C-N 3.29Å; K137-N139 PolarHBondContact O-N 2.96Å; N139-K142 PolarHBondContact O-N 3.29Å; N139-K142 PolarHBondContact OD1-NZ 3.43Å; N139-E143 PolarHBondContact O-N 3.45Å |
| 140 | E | 98.5 | Very high | 98.4 | Very high | 87 Ų | 87 | 99.7 Ų | 99.7 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 174.8 | -68.3 | 173.9 | -165.1 | 0 | 0 | 111.7 | Q136 K137 E143 K144 | Q136-E140 PolarHBondContact NE2-OE1 2.95Å; Q136-E140 VanDerWaalsContact NE2-OE1 3.15Å; Q136-E140 PolarHBondContact O-N 3.38Å; K137-E140 PolarHBondContact O-N 3.19Å; E140-E143 PolarHBondContact O-N 3.35Å; E140-K144 WeakPolarHBondContact O-CG 3.45Å; E140-K144 PolarHBondContact O-N 2.88Å; E140-K144 VanDerWaalsContact O-N 3.12Å |
| 141 | E | 98.4 | Very high | 98.4 | Very high | 107 Ų | 107 | 100.5 Ų | 100.5 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 176.1 | -73.1 | 179.8 | -173.4 | 0 | 0 | 111.9 | K137 F138 E143 K144 S145 | K137-E141 VanDerWaalsContact CE-OE1 3.32Å; K137-E141 WeakPolarHBondContact CE-OE1 3.34Å; K137-E141 PolarHBondContact O-N 3.49Å; F138-E141 PolarHBondContact O-N 3.28Å; E141-E143 VanDerWaalsContact C-N 3.34Å; E141-E143 PolarHBondContact O-N 2.87Å; E141-K144 PolarHBondContact O-N 2.91Å; E141-S145 WeakPolarHBondContact O-CB 3.35Å; E141-S145 PolarHBondContact O-N 3.48Å |
| 142 | K | 98.2 | Very high | 98.4 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 45% | 0.452 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 174.5 | -175.7 | -166.9 | 76.2 | -163.8 | 0 | 111.3 | F138 N139 S145 V146 | F138-K142 HydrophobicContact CE1-CD 4.42Å; F138-K142 VanDerWaalsContact O-CB 3.27Å; F138-K142 WeakPolarHBondContact O-CB 3.4Å; F138-K142 PolarHBondContact O-N 3.06Å; N139-K142 PolarHBondContact O-N 3.29Å; N139-K142 PolarHBondContact OD1-NZ 3.43Å; K142-S145 PolarHBondContact O-N 3.17Å; K142-V146 VanDerWaalsContact O-CG2 3.31Å; K142-V146 WeakPolarHBondContact O-CG2 3.23Å; K142-V146 PolarHBondContact O-N 3.28Å |
| 143 | E | 98.4 | Very high | 98.4 | Very high | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 178.6 | -174.2 | 174.8 | 178.4 | 0 | 0 | 111.9 | N139 E140 E141 S145 V146 N147 | N139-E143 PolarHBondContact O-N 3.45Å; E140-E143 PolarHBondContact O-N 3.35Å; E141-E143 VanDerWaalsContact C-N 3.34Å; E141-E143 PolarHBondContact O-N 2.87Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 3.21Å; E143-V146 PolarHBondContact O-N 2.98Å; E143-N147 WeakPolarHBondContact O-CB 3.46Å; E143-N147 VanDerWaalsContact O-CG 3.28Å; E143-N147 PolarHBondContact O-N 3.26Å; E143-N147 PolarHBondContact O-ND2 3.25Å |
| 144 | K | 98.4 | Very high | 98.4 | Very high | 144 Ų | 144 | 103.8 Ų | 103.8 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.4 | -45.5 | 174.2 | -70.6 | 172 | -173.3 | 171.5 | 0 | 111.7 | E140 E141 N147 S148 | E140-K144 WeakPolarHBondContact O-CG 3.45Å; E140-K144 PolarHBondContact O-N 2.88Å; E140-K144 VanDerWaalsContact O-N 3.12Å; E141-K144 PolarHBondContact O-N 2.91Å; K144-N147 PolarHBondContact O-N 3.37Å; K144-S148 PolarHBondContact O-N 2.76Å |
| 145 | S | 98.2 | Very high | 98.4 | Very high | 79 Ų | 79 | 102.4 Ų | 102.4 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 178.8 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | E141 K142 E143 N147 S148 C149 | E141-S145 WeakPolarHBondContact O-CB 3.35Å; E141-S145 PolarHBondContact O-N 3.48Å; K142-S145 PolarHBondContact O-N 3.17Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 3.21Å; S145-N147 VanDerWaalsContact C-N 3.33Å; S145-N147 PolarHBondContact O-N 3.43Å; S145-S148 PolarHBondContact O-N 3.34Å; S145-C149 WeakPolarHBondContact O-CB 3.37Å; S145-C149 PolarHBondContact O-N 2.88Å |
| 146 | V | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 103.5 Ų | 103.5 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | K142 E143 S148 C149 Q150 | K142-V146 VanDerWaalsContact O-CG2 3.31Å; K142-V146 WeakPolarHBondContact O-CG2 3.23Å; K142-V146 PolarHBondContact O-N 3.28Å; E143-V146 PolarHBondContact O-N 2.98Å; V146-S148 VanDerWaalsContact C-N 3.34Å; V146-S148 PolarHBondContact O-N 3.08Å; V146-C149 PolarHBondContact O-N 3.47Å; V146-Q150 PolarHBondContact O-N 2.84Å |
| 147 | N | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 104.2 Ų | 104.2 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.2 | -71.4 | -25.7 | 0 | 0 | 0 | 112.3 | E143 K144 S145 K151 | E143-N147 WeakPolarHBondContact O-CB 3.46Å; E143-N147 VanDerWaalsContact O-CG 3.28Å; E143-N147 PolarHBondContact O-N 3.26Å; E143-N147 PolarHBondContact O-ND2 3.25Å; K144-N147 PolarHBondContact O-N 3.37Å; S145-N147 VanDerWaalsContact C-N 3.33Å; S145-N147 PolarHBondContact O-N 3.43Å; N147-K151 WeakPolarHBondContact O-CG 3.31Å; N147-K151 PolarHBondContact O-N 3.08Å |
| 148 | S | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 104 Ų | 104 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 175.5 | -162.2 | 0 | 0 | 0 | 0 | 111.5 | K144 S145 V146 Q150 K151 E152 | K144-S148 PolarHBondContact O-N 2.76Å; S145-S148 PolarHBondContact O-N 3.34Å; V146-S148 VanDerWaalsContact C-N 3.34Å; V146-S148 PolarHBondContact O-N 3.08Å; S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact O-N 3.12Å; S148-K151 WeakPolarHBondContact O-CB 3.31Å; S148-K151 PolarHBondContact O-N 3.04Å; S148-K151 VanDerWaalsContact O-N 3.09Å; S148-E152 PolarHBondContact O-N 2.92Å |
| 149 | C | 98.3 | Very high | 98.4 | Very high | 75 Ų | 75 | 101.3 Ų | 101.3 | 51% | 0.507 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | S145 V146 E152 Q153 | S145-C149 WeakPolarHBondContact O-CB 3.37Å; S145-C149 PolarHBondContact O-N 2.88Å; V146-C149 PolarHBondContact O-N 3.47Å; C149-E152 PolarHBondContact O-N 3.47Å; C149-Q153 VanDerWaalsContact O-CB 3.32Å; C149-Q153 WeakPolarHBondContact O-CB 3.45Å; C149-Q153 PolarHBondContact O-N 3.24Å |
| 150 | Q | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 176 | -174.5 | 177.3 | -8.6 | 0 | 0 | 112.4 | V146 S148 Q153 Q154 | V146-Q150 PolarHBondContact O-N 2.84Å; S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact O-N 3.12Å; Q150-Q153 PolarHBondContact O-N 2.97Å; Q150-Q154 PolarHBondContact O-N 3.45Å |
| 151 | K | 98.4 | Very high | 98.3 | Very high | 154 Ų | 154 | 102.9 Ų | 102.9 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -46.3 | 176.2 | -71.5 | 177.1 | -177.6 | -179.2 | 0 | 111.4 | N147 S148 Q153 Q154 A155 | N147-K151 WeakPolarHBondContact O-CG 3.31Å; N147-K151 PolarHBondContact O-N 3.08Å; S148-K151 WeakPolarHBondContact O-CB 3.31Å; S148-K151 PolarHBondContact O-N 3.04Å; S148-K151 VanDerWaalsContact O-N 3.09Å; K151-Q153 VanDerWaalsContact C-N 3.33Å; K151-Q153 PolarHBondContact O-N 2.79Å; K151-Q154 PolarHBondContact O-N 2.95Å; K151-A155 PolarHBondContact O-N 3.45Å |
| 152 | E | 98.1 | Very high | 98.3 | Very high | 129 Ų | 129 | 100.9 Ų | 100.9 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 176.2 | -75 | 178.3 | -174.3 | 0 | 0 | 111.8 | S148 C149 Q154 A155 L156 | S148-E152 PolarHBondContact O-N 2.92Å; C149-E152 PolarHBondContact O-N 3.47Å; E152-Q154 VanDerWaalsContact C-N 3.29Å; E152-Q154 PolarHBondContact O-N 3.45Å; E152-A155 PolarHBondContact O-N 3.33Å; E152-L156 WeakPolarHBondContact O-CB 3.1Å; E152-L156 PolarHBondContact O-N 3.35Å |
| 153 | Q | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 102.1 Ų | 102.1 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 176.4 | -169.4 | -174.9 | 23.7 | 0 | 0 | 111.8 | C149 Q150 K151 K157 | C149-Q153 VanDerWaalsContact O-CB 3.32Å; C149-Q153 WeakPolarHBondContact O-CB 3.45Å; C149-Q153 PolarHBondContact O-N 3.24Å; Q150-Q153 PolarHBondContact O-N 2.97Å; K151-Q153 VanDerWaalsContact C-N 3.33Å; K151-Q153 PolarHBondContact O-N 2.79Å; Q153-K157 WeakPolarHBondContact O-CG 3.3Å; Q153-K157 PolarHBondContact O-N 3Å; Q153-K157 VanDerWaalsContact O-N 3.14Å |
| 154 | Q | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 100.5 Ų | 100.5 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68 | -45.2 | 175.9 | -172.9 | 176.5 | 4.3 | 0 | 0 | 111.6 | Q150 K151 E152 L156 K157 L158 | Q150-Q154 PolarHBondContact O-N 3.45Å; K151-Q154 PolarHBondContact O-N 2.95Å; E152-Q154 VanDerWaalsContact C-N 3.29Å; E152-Q154 PolarHBondContact O-N 3.45Å; Q154-L156 VanDerWaalsContact C-N 3.3Å; Q154-L156 PolarHBondContact O-N 3.07Å; Q154-K157 PolarHBondContact O-N 3.26Å; Q154-L158 PolarHBondContact O-N 3.25Å; Q154-L158 VanDerWaalsContact O-N 3.1Å |
| 155 | A | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 99.4 Ų | 99.4 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K151 E152 K157 L158 S159 | K151-A155 PolarHBondContact O-N 3.45Å; E152-A155 PolarHBondContact O-N 3.33Å; A155-K157 PolarHBondContact O-N 3.01Å; A155-L158 PolarHBondContact O-N 2.97Å; A155-S159 WeakPolarHBondContact O-CB 3.43Å; A155-S159 PolarHBondContact O-N 2.87Å |
| 156 | L | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 99.6 Ų | 99.6 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.1 | -176.4 | 65 | 0 | 0 | 0 | 112.3 | E152 Q154 S159 K160 | E152-L156 WeakPolarHBondContact O-CB 3.1Å; E152-L156 PolarHBondContact O-N 3.35Å; Q154-L156 VanDerWaalsContact C-N 3.3Å; Q154-L156 PolarHBondContact O-N 3.07Å; L156-S159 PolarHBondContact O-N 3.32Å; L156-K160 WeakPolarHBondContact O-CG 3.29Å; L156-K160 PolarHBondContact O-N 2.86Å |
| 157 | K | 98.4 | Very high | 98.3 | Very high | 136 Ų | 136 | 99.8 Ų | 99.8 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 175.7 | -75.6 | 174.6 | -178.4 | 177.8 | 0 | 111.5 | Q153 Q154 A155 K160 C161 | Q153-K157 WeakPolarHBondContact O-CG 3.3Å; Q153-K157 PolarHBondContact O-N 3Å; Q153-K157 VanDerWaalsContact O-N 3.14Å; Q154-K157 PolarHBondContact O-N 3.26Å; A155-K157 PolarHBondContact O-N 3.01Å; K157-K160 PolarHBondContact O-N 3.12Å; K157-C161 PolarHBondContact O-N 2.83Å |
| 158 | L | 98.3 | Very high | 98.3 | Very high | 116 Ų | 116 | 102.5 Ų | 102.5 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 177.8 | -69.5 | 173.2 | 0 | 0 | 0 | 111.6 | Q154 A155 K160 C161 S162 | Q154-L158 PolarHBondContact O-N 3.25Å; Q154-L158 VanDerWaalsContact O-N 3.1Å; A155-L158 PolarHBondContact O-N 2.97Å; L158-K160 PolarHBondContact O-N 3.39Å; L158-C161 PolarHBondContact O-N 3.33Å; L158-S162 PolarHBondContact O-N 3.06Å |
| 159 | S | 98.4 | Very high | 98.3 | Very high | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 112 | A155 L156 C161 S162 Q163 | A155-S159 WeakPolarHBondContact O-CB 3.43Å; A155-S159 PolarHBondContact O-N 2.87Å; L156-S159 PolarHBondContact O-N 3.32Å; S159-C161 PolarHBondContact O-N 2.87Å; S159-S162 PolarHBondContact O-N 2.9Å; S159-Q163 WeakPolarHBondContact O-CB 3.32Å; S159-Q163 PolarHBondContact O-N 3.29Å |
| 160 | K | 98.3 | Very high | 98.3 | Very high | 121 Ų | 121 | 102 Ų | 102 | 53% | 0.526 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 175.1 | -76 | -176.5 | 177.4 | -175.8 | 0 | 112.8 | L156 K157 L158 Q163 N164 | L156-K160 WeakPolarHBondContact O-CG 3.29Å; L156-K160 PolarHBondContact O-N 2.86Å; K157-K160 PolarHBondContact O-N 3.12Å; L158-K160 PolarHBondContact O-N 3.39Å; K160-Q163 PolarHBondContact O-N 3.18Å; K160-N164 VanDerWaalsContact O-CG 3.3Å; K160-N164 PolarHBondContact O-N 2.87Å |
| 161 | C | 98 | Very high | 98.2 | Very high | 65 Ų | 65 | 102.4 Ų | 102.4 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | K157 L158 S159 Q163 N164 Q165 | K157-C161 PolarHBondContact O-N 2.83Å; L158-C161 PolarHBondContact O-N 3.33Å; S159-C161 PolarHBondContact O-N 2.87Å; C161-Q163 PolarHBondContact O-N 2.99Å; C161-N164 PolarHBondContact O-N 3.39Å; C161-Q165 WeakPolarHBondContact O-CG 3.46Å; C161-Q165 PolarHBondContact O-N 2.87Å |
| 162 | S | 98.3 | Very high | 98.2 | Very high | 65 Ų | 65 | 99.8 Ų | 99.8 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | L158 S159 N164 Q165 T166 | L158-S162 PolarHBondContact O-N 3.06Å; S159-S162 PolarHBondContact O-N 2.9Å; S162-N164 VanDerWaalsContact C-N 3.34Å; S162-N164 PolarHBondContact O-N 3.46Å; S162-Q165 PolarHBondContact O-N 3.24Å; S162-T166 PolarHBondContact O-N 2.93Å; S162-T166 PolarHBondContact O-OG1 3.41Å; S162-T166 VanDerWaalsContact O-OG1 3.11Å |
| 163 | Q | 98.2 | Very high | 98.2 | Very high | 130 Ų | 130 | 99.3 Ų | 99.3 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 177.1 | -172.4 | 179.1 | 29.5 | 0 | 0 | 112.1 | S159 K160 C161 T166 L167 | S159-Q163 WeakPolarHBondContact O-CB 3.32Å; S159-Q163 PolarHBondContact O-N 3.29Å; K160-Q163 PolarHBondContact O-N 3.18Å; C161-Q163 PolarHBondContact O-N 2.99Å; Q163-T166 PolarHBondContact O-N 3.47Å; Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 PolarHBondContact O-N 3.31Å |
| 164 | N | 98.3 | Very high | 98.1 | Very high | 93 Ų | 93 | 99.9 Ų | 99.9 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177 | -73.6 | -14.4 | 0 | 0 | 0 | 111.8 | K160 C161 S162 T166 L167 E168 | K160-N164 VanDerWaalsContact O-CG 3.3Å; K160-N164 PolarHBondContact O-N 2.87Å; C161-N164 PolarHBondContact O-N 3.39Å; S162-N164 VanDerWaalsContact C-N 3.34Å; S162-N164 PolarHBondContact O-N 3.46Å; N164-T166 PolarHBondContact O-N 2.72Å; N164-L167 WeakPolarHBondContact O-CB 3.43Å; N164-L167 PolarHBondContact O-N 2.91Å; N164-E168 PolarHBondContact O-N 3.45Å |
| 165 | Q | 97.9 | Very high | 98.1 | Very high | 120 Ų | 120 | 100.4 Ų | 100.4 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 175.5 | -72.4 | 173.4 | -15.9 | 0 | 0 | 111.8 | C161 S162 L167 E168 A169 | C161-Q165 WeakPolarHBondContact O-CG 3.46Å; C161-Q165 PolarHBondContact O-N 2.87Å; S162-Q165 PolarHBondContact O-N 3.24Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 2.88Å; Q165-E168 PolarHBondContact O-N 3.49Å; Q165-A169 PolarHBondContact O-N 3.49Å |
| 166 | T | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 102.9 Ų | 102.9 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | S162 Q163 N164 A169 V170 | S162-T166 PolarHBondContact O-N 2.93Å; S162-T166 PolarHBondContact O-OG1 3.41Å; S162-T166 VanDerWaalsContact O-OG1 3.11Å; Q163-T166 PolarHBondContact O-N 3.47Å; N164-T166 PolarHBondContact O-N 2.72Å; T166-A169 PolarHBondContact O-N 2.89Å; T166-V170 VanDerWaalsContact O-CG2 3.31Å; T166-V170 WeakPolarHBondContact O-CG2 3.27Å; T166-V170 PolarHBondContact O-N 3.36Å |
| 167 | L | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 177.1 | 179.8 | 63.4 | 0 | 0 | 0 | 112 | Q163 N164 Q165 V170 K171 | Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 PolarHBondContact O-N 3.31Å; N164-L167 WeakPolarHBondContact O-CB 3.43Å; N164-L167 PolarHBondContact O-N 2.91Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 2.88Å; L167-V170 PolarHBondContact O-N 2.92Å; L167-K171 WeakPolarHBondContact O-CG 3.43Å; L167-K171 PolarHBondContact O-N 3.49Å |
| 168 | E | 98.3 | Very high | 97.8 | Very high | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 174.9 | -76 | 176.6 | 174.4 | 0 | 0 | 111.5 | N164 Q165 V170 K171 E172 | N164-E168 PolarHBondContact O-N 3.45Å; Q165-E168 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.42Å; E168-K171 WeakPolarHBondContact O-CB 3.17Å; E168-K171 PolarHBondContact O-N 2.86Å; E168-E172 PolarHBondContact O-N 2.89Å |
| 169 | A | 98.1 | Very high | 97.6 | Very high | 47 Ų | 47 | 98.9 Ų | 98.9 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q165 T166 E172 M173 | Q165-A169 PolarHBondContact O-N 3.49Å; T166-A169 PolarHBondContact O-N 2.89Å; A169-E172 PolarHBondContact O-N 3.4Å; A169-M173 WeakPolarHBondContact O-CG 3.43Å; A169-M173 PolarHBondContact O-N 2.97Å |
| 170 | V | 98.1 | Very high | 97.4 | Very high | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | T166 L167 E168 M173 H174 | T166-V170 VanDerWaalsContact O-CG2 3.31Å; T166-V170 WeakPolarHBondContact O-CG2 3.27Å; T166-V170 PolarHBondContact O-N 3.36Å; L167-V170 PolarHBondContact O-N 2.92Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.42Å; V170-M173 HydrophobicContact CG2-CE 4.42Å; V170-M173 PolarHBondContact O-N 3.02Å; V170-H174 WeakPolarHBondContact O-CB 3.4Å; V170-H174 PolarHBondContact O-N 3.2Å |
| 171 | K | 97.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 99 Ų | 99 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 176.1 | -74.7 | 175.5 | 178.7 | -178.8 | 0 | 111.7 | L167 E168 H174 E175 | L167-K171 WeakPolarHBondContact O-CG 3.43Å; L167-K171 PolarHBondContact O-N 3.49Å; E168-K171 WeakPolarHBondContact O-CB 3.17Å; E168-K171 PolarHBondContact O-N 2.86Å; K171-H174 PolarHBondContact O-N 3.3Å; K171-E175 WeakPolarHBondContact O-CB 3.41Å; K171-E175 PolarHBondContact O-N 3.44Å |
| 172 | E | 97.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 101.7 Ų | 101.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 179.1 | -169.3 | -171.4 | 163.8 | 0 | 0 | 111.7 | E168 A169 H174 E175 K176 | E168-E172 PolarHBondContact O-N 2.89Å; A169-E172 PolarHBondContact O-N 3.4Å; E172-H174 PolarHBondContact O-N 2.62Å; E172-E175 PolarHBondContact O-N 3.48Å; E172-K176 WeakPolarHBondContact O-CG 3.48Å; E172-K176 PolarHBondContact O-N 3.31Å; E172-K176 VanDerWaalsContact OE1-CE 3.27Å; E172-K176 WeakPolarHBondContact OE1-CE 3.35Å; E172-K176 IonicContact OE1-NZ 2.62Å; E172-K176 PolarHBondContact OE1-NZ 3.46Å |
| 173 | M | 97.3 | Very high | 96.4 | Very high | 120 Ų | 120 | 102.7 Ų | 102.7 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 174.8 | -74.6 | -164.6 | -60.3 | 0 | 0 | 111.8 | A169 V170 K176 S177 | A169-M173 WeakPolarHBondContact O-CG 3.43Å; A169-M173 PolarHBondContact O-N 2.97Å; V170-M173 HydrophobicContact CG2-CE 4.42Å; V170-M173 PolarHBondContact O-N 3.02Å; M173-K176 PolarHBondContact O-N 2.9Å; M173-S177 PolarHBondContact O-N 2.98Å; M173-S177 PolarHBondContact O-OG 3.37Å |
| 174 | H | 97.5 | Very high | 95.7 | Very high | 120 Ų | 120 | 101.9 Ų | 101.9 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 177.6 | 173.3 | -87.6 | 0 | 0 | 0 | 111.8 | V170 K171 E172 S177 M178 | V170-H174 WeakPolarHBondContact O-CB 3.4Å; V170-H174 PolarHBondContact O-N 3.2Å; K171-H174 PolarHBondContact O-N 3.3Å; E172-H174 PolarHBondContact O-N 2.62Å; H174-S177 PolarHBondContact O-N 3.47Å; H174-M178 WeakPolarHBondContact O-CG 3.22Å; H174-M178 PolarHBondContact O-N 3.32Å |
| 175 | E | 97.1 | Very high | 94.5 | Very high | 138 Ų | 138 | 100.2 Ų | 100.2 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 178.2 | -170.5 | 164.8 | -154.7 | 0 | 0 | 111.7 | K171 E172 S177 M178 E179 | K171-E175 WeakPolarHBondContact O-CB 3.41Å; K171-E175 PolarHBondContact O-N 3.44Å; E172-E175 PolarHBondContact O-N 3.48Å; E175-S177 PolarHBondContact O-N 3.28Å; E175-M178 PolarHBondContact O-N 2.75Å; E175-E179 PolarHBondContact O-N 2.96Å |
| 176 | K | 96.6 | Very high | 93.1 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 174 | -73.4 | 176.5 | -175.5 | 167.1 | 0 | 112.6 | E172 M173 M178 E179 V180 | E172-K176 WeakPolarHBondContact O-CG 3.48Å; E172-K176 PolarHBondContact O-N 3.31Å; E172-K176 VanDerWaalsContact OE1-CE 3.27Å; E172-K176 WeakPolarHBondContact OE1-CE 3.35Å; E172-K176 IonicContact OE1-NZ 2.62Å; E172-K176 PolarHBondContact OE1-NZ 3.46Å; M173-K176 PolarHBondContact O-N 2.9Å; K176-M178 VanDerWaalsContact C-N 3.35Å; K176-M178 PolarHBondContact O-N 3.17Å; K176-E179 PolarHBondContact O-N 3.35Å; K176-V180 WeakPolarHBondContact O-CG2 3.48Å; K176-V180 PolarHBondContact O-N 2.92Å |
| 177 | S | 96.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 104.2 Ų | 104.2 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.5 | -70.2 | 0 | 0 | 0 | 0 | 112 | M173 H174 E175 V180 L181 | M173-S177 PolarHBondContact O-N 2.98Å; M173-S177 PolarHBondContact O-OG 3.37Å; H174-S177 PolarHBondContact O-N 3.47Å; E175-S177 PolarHBondContact O-N 3.28Å; S177-V180 PolarHBondContact O-N 3.22Å; S177-L181 WeakPolarHBondContact O-CG 3.38Å; S177-L181 PolarHBondContact O-N 2.85Å; S177-L181 VanDerWaalsContact O-N 3.1Å |
| 178 | M | 95.7 | Very high | 88.8 | Confident | 79 Ų | 79 | 110 Ų | 110 | 39% | 0.389 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -42.5 | 176.9 | -72.7 | -63.1 | -63.5 | 0 | 0 | 112.1 | H174 E175 K176 L181 M182 | H174-M178 WeakPolarHBondContact O-CG 3.22Å; H174-M178 PolarHBondContact O-N 3.32Å; E175-M178 PolarHBondContact O-N 2.75Å; K176-M178 VanDerWaalsContact C-N 3.35Å; K176-M178 PolarHBondContact O-N 3.17Å; M178-L181 PolarHBondContact O-N 2.66Å; M178-M182 HydrophobicContact CE-CE 4.09Å; M178-M182 WeakPolarHBondContact O-CG 3.21Å; M178-M182 PolarHBondContact O-N 3.03Å |
| 179 | E | 95.4 | Very high | 88.3 | Confident | 116 Ų | 116 | 109 Ų | 109 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.2 | -46.1 | 176.3 | -176.7 | 179.3 | -169.3 | 0 | 0 | 111.9 | E175 K176 L181 M182 N183 | E175-E179 PolarHBondContact O-N 2.96Å; K176-E179 PolarHBondContact O-N 3.35Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 2.91Å; E179-M182 PolarHBondContact O-N 3.33Å; E179-N183 WeakPolarHBondContact O-CB 3.3Å; E179-N183 VanDerWaalsContact O-CG 3.3Å; E179-N183 PolarHBondContact O-N 3.12Å; E179-N183 PolarHBondContact O-ND2 3Å |
| 180 | V | 94.9 | Very high | 87.8 | Confident | 86 Ų | 86 | 112.3 Ų | 112.3 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.1 | -44.4 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | K176 S177 N183 L184 | K176-V180 WeakPolarHBondContact O-CG2 3.48Å; K176-V180 PolarHBondContact O-N 2.92Å; S177-V180 PolarHBondContact O-N 3.22Å; V180-N183 PolarHBondContact O-N 3.2Å; V180-L184 HydrophobicContact CG1-CD1 3.97Å; V180-L184 WeakPolarHBondContact O-CD1 3.32Å; V180-L184 PolarHBondContact O-N 3Å; V180-L184 VanDerWaalsContact O-N 3.1Å |
| 181 | L | 92.6 | Very high | 87.2 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.3 | -41.9 | 178.4 | -70.9 | 171.9 | 0 | 0 | 0 | 112.5 | S177 M178 E179 L184 G185 | S177-L181 WeakPolarHBondContact O-CG 3.38Å; S177-L181 PolarHBondContact O-N 2.85Å; S177-L181 VanDerWaalsContact O-N 3.1Å; M178-L181 PolarHBondContact O-N 2.66Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 2.91Å; L181-L184 PolarHBondContact O-N 3.45Å; L181-G185 PolarHBondContact O-N 3.34Å; L181-G185 VanDerWaalsContact O-N 3.17Å |
| 182 | M | 91.1 | Very high | 86.6 | Confident | 120 Ų | 120 | 113.4 Ų | 113.4 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 177 | -70.1 | -173.3 | -164.9 | 0 | 0 | 112.3 | M178 E179 L184 G185 T186 | M178-M182 HydrophobicContact CE-CE 4.09Å; M178-M182 WeakPolarHBondContact O-CG 3.21Å; M178-M182 PolarHBondContact O-N 3.03Å; E179-M182 PolarHBondContact O-N 3.33Å; M182-L184 VanDerWaalsContact C-N 3.29Å; M182-L184 PolarHBondContact O-N 2.91Å; M182-G185 PolarHBondContact O-N 3.19Å; M182-T186 PolarHBondContact O-N 2.95Å; M182-T186 PolarHBondContact O-OG1 3.42Å |
| 183 | N | 88.5 | Confident | 85.8 | Confident | 86 Ų | 86 | 114.3 Ų | 114.3 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.4 | -26.6 | 178.1 | -73.1 | -31.4 | 0 | 0 | 0 | 113 | E179 V180 T186 | E179-N183 WeakPolarHBondContact O-CB 3.3Å; E179-N183 VanDerWaalsContact O-CG 3.3Å; E179-N183 PolarHBondContact O-N 3.12Å; E179-N183 PolarHBondContact O-ND2 3Å; V180-N183 PolarHBondContact O-N 3.2Å; N183-T186 WeakPolarHBondContact CA-OG1 3.45Å; N183-T186 PolarHBondContact O-OG1 3.35Å |
| 184 | L | 84.1 | Confident | 85.1 | Confident | 114 Ų | 114 | 113.9 Ų | 113.9 | 60% | 0.597 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.8 | -39.2 | 171.7 | -85.7 | 155.3 | 0 | 0 | 0 | 112.1 | V180 L181 M182 T186 | V180-L184 HydrophobicContact CG1-CD1 3.97Å; V180-L184 WeakPolarHBondContact O-CD1 3.32Å; V180-L184 PolarHBondContact O-N 3Å; V180-L184 VanDerWaalsContact O-N 3.1Å; L181-L184 PolarHBondContact O-N 3.45Å; M182-L184 VanDerWaalsContact C-N 3.29Å; M182-L184 PolarHBondContact O-N 2.91Å; L184-T186 VanDerWaalsContact C-N 3.3Å; L184-T186 PolarHBondContact O-N 3.13Å |
| 185 | G | 73.4 | Confident | 84.2 | Confident | 58 Ų | 58 | 113.5 Ų | 113.5 | 60% | 0.598 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.5 | -18.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L181 M182 | L181-G185 PolarHBondContact O-N 3.34Å; L181-G185 VanDerWaalsContact O-N 3.17Å; M182-G185 PolarHBondContact O-N 3.19Å |
| 186 | T | 67.9 | Low | 83.2 | Confident | 106 Ų | 106 | 111.6 Ų | 111.6 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -5.7 | -178.9 | 41 | 0 | 0 | 0 | 0 | 114.2 | M182 N183 L184 | M182-T186 PolarHBondContact O-N 2.95Å; M182-T186 PolarHBondContact O-OG1 3.42Å; N183-T186 WeakPolarHBondContact CA-OG1 3.45Å; N183-T186 PolarHBondContact O-OG1 3.35Å; L184-T186 VanDerWaalsContact C-N 3.3Å; L184-T186 PolarHBondContact O-N 3.13Å |
| 187 | K | 58.7 | Low | 82.1 | Confident | 181 Ų | 181 | 111.6 Ų | 111.6 | 79% | 0.787 | 61% | 0.612 | S | S | * | * | trans | -96.6 | 8.8 | 179.2 | -82.5 | -177.9 | 176.3 | 175.9 | 0 | 114.7 | ||||
| 188 | N | 46.6 | Very low | 80.8 | Confident | 210 Ų | 210 | 115.2 Ų | 115.2 | 100% | 1.123 | 62% | 0.622 | S | S | * | * | trans | -110.4 | 0 | 168.3 | -71.7 | -25.2 | 0 | 0 | 0 | 109.8 |
Retrieved 188 of 188 residues in 143.4 ms
(Link to these results)