| 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 | 44.8 | Very low | 39.9 | Very low | 241 Ų | 241 | 154.9 Ų | 154.9 | 100% | 1.187 | 86% | 0.857 | S | S | * | * | 0 | 76.9 | 0 | -77.9 | -80.9 | -174.2 | 0 | 0 | 109 | |||||
| 2 | T | 36.3 | Very low | 39.8 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 78% | 0.779 | 85% | 0.854 | S | S | * | * | trans | -151.5 | 102.1 | 169.6 | 38.2 | 0 | 0 | 0 | 0 | 106.9 | Y4 | T2-Y4 PolarHBondContact O-N 2.86Š| ||
| 3 | A | 37.2 | Very low | 40.1 | Very low | 98 Ų | 98 | 154.7 Ų | 154.7 | 81% | 0.81 | 86% | 0.858 | S | S | * | * | trans | -76.7 | 118.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | Y | 36.6 | Very low | 40.3 | Very low | 224 Ų | 224 | 159.5 Ų | 159.5 | 88% | 0.878 | 86% | 0.856 | S | S | * | * | trans | -78.9 | 118.7 | 164.7 | -91.7 | -91.8 | 0 | 0 | 0 | 108.9 | T2 | T2-Y4 PolarHBondContact O-N 2.86Š| ||
| 5 | V | 44.8 | Very low | 40.5 | Very low | 128 Ų | 128 | 157.4 Ų | 157.4 | 78% | 0.776 | 86% | 0.855 | S | S | * | * | trans | -94.8 | 112.3 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 108.2 | R7 | V5-R7 PolarHBondContact O-N 3.37Š| ||
| 6 | L | 40.1 | Very low | 40.6 | Very low | 171 Ų | 171 | 154.3 Ų | 154.3 | 90% | 0.895 | 84% | 0.843 | S | S | * | * | trans | -70.8 | 114.9 | 168.5 | -76 | 163.1 | 0 | 0 | 0 | 109.4 | G8 | L6-G8 PolarHBondContact O-N 2.8Š| ||
| 7 | R | 35.6 | Very low | 40.6 | Very low | 235 Ų | 235 | 152.7 Ų | 152.7 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | trans | -78.6 | 107.1 | 166.5 | -97.5 | -179.3 | 172.5 | -169.6 | -1.1 | 108.8 | V5 | V5-R7 PolarHBondContact O-N 3.37Š| ||
| 8 | G | 38.7 | Very low | 40.5 | Very low | 78 Ų | 78 | 148.4 Ų | 148.4 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -75.6 | 117.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L6 | L6-G8 PolarHBondContact O-N 2.8Š| ||
| 9 | V | 43.1 | Very low | 40.7 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 78% | 0.776 | 84% | 0.843 | S | S | * | * | trans | -91.6 | 113.2 | 170.5 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | S | 40.7 | Very low | 40.7 | Very low | 111 Ų | 111 | 151 Ų | 151 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | trans | -92.5 | 112.8 | 167.3 | 44.9 | 0 | 0 | 0 | 0 | 109.5 | T12 | S10-T12 PolarHBondContact O-N 3Š| ||
| 11 | L | 41 | Very low | 40.6 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -64.1 | 121.1 | 171.5 | -72.8 | 158.2 | 0 | 0 | 0 | 109.1 | ||||
| 12 | T | 38.8 | Very low | 40.7 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | -84.6 | 113.2 | 171 | 43.1 | 0 | 0 | 0 | 0 | 108.8 | S10 R14 | S10-T12 PolarHBondContact O-N 3Å; T12-R14 PolarHBondContact O-N 2.81Å | ||
| 13 | L | 44.2 | Very low | 40.7 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 116.1 | 166.4 | -74 | 166 | 0 | 0 | 0 | 108.5 | ||
| 14 | R | 43 | Very low | 40.9 | Very low | 222 Ų | 222 | 150 Ų | 150 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 142 | 161.1 | -77.6 | -178.5 | 171.3 | -174.8 | -2 | 109.2 | T12 | T12-R14 PolarHBondContact O-N 2.81Š|
| 15 | P | 42.7 | Very low | 40.8 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 120.3 | 141.1 | 26.6 | -14.5 | 0 | 0 | 0 | 109.1 | ||
| 16 | T | 42.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 66% | 0.663 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 152 | 161.4 | 30.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 17 | S | 41.3 | Very low | 40.7 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | 80.4 | 136.2 | 165.4 | 77.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 18 | G | 37.5 | Very low | 41 | Very low | 75 Ų | 75 | 147.9 Ų | 147.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | cis | -149.1 | 154.8 | 16.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 19 | L | 45.3 | Very low | 41.3 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -61.1 | 139.9 | 168.2 | -67.2 | 149.5 | 0 | 0 | 0 | 110.5 | ||||
| 20 | L | 40.1 | Very low | 41.5 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | -177.3 | 137.3 | 120.9 | -123.7 | 80 | 0 | 0 | 0 | 109.8 | |||||
| 21 | G | 39.3 | Very low | 42 | Very low | 55 Ų | 55 | 152.4 Ų | 152.4 | 57% | 0.567 | 79% | 0.793 | S | S | * | * | trans | 132.7 | 53.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W23 | G21-W23 VanDerWaalsContact C-N 3.26Å; G21-W23 PolarHBondContact O-N 3.03Å | ||
| 22 | T | 45.4 | Very low | 42.4 | Very low | 133 Ų | 133 | 152.4 Ų | 152.4 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -55.9 | 94.3 | 150.9 | 45.8 | 0 | 0 | 0 | 0 | 108.8 | Q24 | T22-Q24 VanDerWaalsContact C-N 3.34Å; T22-Q24 PolarHBondContact O-N 2.9Å | ||
| 23 | W | 37 | Very low | 42.9 | Very low | 239 Ų | 239 | 158 Ų | 158 | 91% | 0.905 | 80% | 0.795 | S | S | * | * | trans | -90.7 | 85.8 | 157.5 | -78.6 | 83.6 | 0 | 0 | 0 | 107 | G21 R25 | G21-W23 VanDerWaalsContact C-N 3.26Å; G21-W23 PolarHBondContact O-N 3.03Å; W23-R25 VanDerWaalsContact C-N 3.32Å; W23-R25 PolarHBondContact O-N 2.92Å | ||
| 24 | Q | 41 | Very low | 43.2 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -47.8 | 103.2 | 154.8 | -82.5 | 169.6 | -39.8 | 0 | 0 | 107.2 | T22 Q26 | T22-Q24 VanDerWaalsContact C-N 3.34Å; T22-Q24 PolarHBondContact O-N 2.9Å; Q24-Q26 PolarHBondContact O-N 2.91Å | ||
| 25 | R | 35 | Very low | 44.2 | Very low | 239 Ų | 239 | 146.6 Ų | 146.6 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -75.5 | 85.5 | 161.7 | -154.1 | 172.6 | -171.4 | -171.8 | 1.5 | 105.7 | W23 I27 | W23-R25 VanDerWaalsContact C-N 3.32Å; W23-R25 PolarHBondContact O-N 2.92Å; R25-I27 PolarHBondContact O-N 2.92Å | ||
| 26 | Q | 40.5 | Very low | 45 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | -46.6 | 106.2 | 165.7 | -106.3 | 175.1 | -31.7 | 0 | 0 | 107.6 | Q24 R28 | Q24-Q26 PolarHBondContact O-N 2.91Å; Q26-R28 HydrophobicContact CB-CG 4.33Å; Q26-R28 PolarHBondContact O-N 3.38Å | ||
| 27 | I | 41.9 | Very low | 45.8 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 87.2 | 161.1 | -59.6 | 171 | 0 | 0 | 0 | 104.1 | R25 N29 | R25-I27 PolarHBondContact O-N 2.92Å; I27-N29 VanDerWaalsContact C-N 3.35Å; I27-N29 PolarHBondContact O-N 2.89Å | ||
| 28 | R | 42 | Very low | 46.6 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -68.8 | 101.4 | 168.3 | -73.5 | -174 | 179 | 179.2 | -0.4 | 106.2 | Q26 T30 | Q26-R28 HydrophobicContact CB-CG 4.33Å; Q26-R28 PolarHBondContact O-N 3.38Å; R28-T30 HydrophobicContact CB-CG2 4.45Å; R28-T30 PolarHBondContact O-N 3.26Å | ||
| 29 | N | 46.2 | Very low | 47.5 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -57.8 | 86.2 | 158.5 | -72.4 | -24.1 | 0 | 0 | 0 | 107.7 | I27 H31 | I27-N29 VanDerWaalsContact C-N 3.35Å; I27-N29 PolarHBondContact O-N 2.89Å; N29-H31 PolarHBondContact O-N 3.16Å | ||
| 30 | T | 46.9 | Very low | 48.1 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | trans | -88.7 | 87.5 | 162.9 | 43.8 | 0 | 0 | 0 | 0 | 106 | R28 Q32 | R28-T30 HydrophobicContact CB-CG2 4.45Å; R28-T30 PolarHBondContact O-N 3.26Å; T30-Q32 PolarHBondContact O-N 3.05Å | ||
| 31 | H | 50.3 | Low | 48.8 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 83% | 0.833 | 73% | 0.725 | S | S | * | * | trans | -67.3 | 74.3 | 155.8 | -67.8 | -76.1 | 0 | 0 | 0 | 107.5 | N29 | N29-H31 PolarHBondContact O-N 3.16Š| ||
| 32 | Q | 49.5 | Very low | 49.8 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -103.6 | 117.7 | 160.8 | -73.2 | -174.5 | -17.3 | 0 | 0 | 105.6 | T30 A34 | T30-Q32 PolarHBondContact O-N 3.05Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.79Å | ||
| 33 | R | 49.5 | Very low | 50.6 | Low | 254 Ų | 254 | 151.8 Ų | 151.8 | 96% | 0.958 | 71% | 0.714 | S | S | * | * | trans | -51.6 | 99.7 | 173.2 | -71.8 | 172.4 | 171.8 | 169 | -4.1 | 107.7 | S35 | R33-S35 PolarHBondContact O-N 3.43Š| ||
| 34 | A | 51.1 | Low | 51.7 | Low | 78 Ų | 78 | 145.9 Ų | 145.9 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | trans | -61.9 | 107.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q32 S38 | Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.79Å; A34-S38 WeakPolarHBondContact CB-OG 3.48Å | ||
| 35 | S | 62.5 | Low | 51.9 | Low | 75 Ų | 75 | 146.1 Ų | 146.1 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | trans | -59.8 | 150.6 | 168.7 | 68.7 | 0 | 0 | 0 | 0 | 108.6 | R33 L37 S38 | R33-S35 PolarHBondContact O-N 3.43Å; S35-L37 PolarHBondContact O-N 3.49Å; S35-S38 PolarHBondContact O-N 2.91Å; S35-S38 PolarHBondContact O-OG 3.08Å | ||
| 36 | L | 59.6 | Low | 52.8 | Low | 176 Ų | 176 | 145.4 Ų | 145.4 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -8.1 | -178.3 | -69.5 | 169.9 | 0 | 0 | 0 | 114.1 | ||
| 37 | L | 59.1 | Low | 53.3 | Low | 149 Ų | 149 | 144.5 Ų | 144.5 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -16.9 | 179.6 | -61.7 | 173.2 | 0 | 0 | 0 | 114.2 | S35 F39 | S35-L37 PolarHBondContact O-N 3.49Å; L37-F39 PolarHBondContact O-N 3.42Å |
| 38 | S | 58.1 | Low | 53.8 | Low | 35 Ų | 35 | 145.2 Ų | 145.2 | 25% | 0.245 | 72% | 0.716 | C | S | . | * | G | 310 helix | trans | -83.3 | 10.3 | -177.7 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | A34 S35 W40 | A34-S38 WeakPolarHBondContact CB-OG 3.48Å; S35-S38 PolarHBondContact O-N 2.91Å; S35-S38 PolarHBondContact O-OG 3.08Å; S38-W40 VanDerWaalsContact C-N 3.29Å; S38-W40 PolarHBondContact O-N 3.29Å |
| 39 | F | 57.8 | Low | 54.6 | Low | 138 Ų | 138 | 142 Ų | 142 | 61% | 0.605 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -63.4 | -33.6 | 177.5 | 175.5 | -102.4 | 0 | 0 | 0 | 112.7 | L37 E41 | L37-F39 PolarHBondContact O-N 3.42Å; F39-E41 VanDerWaalsContact C-N 3.34Å; F39-E41 PolarHBondContact O-N 3.43Å |
| 40 | W | 57.1 | Low | 55.3 | Low | 192 Ų | 192 | 142.6 Ų | 142.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -74.2 | -21.2 | -174.6 | -66.3 | 98.3 | 0 | 0 | 0 | 114.2 | S38 I43 | S38-W40 VanDerWaalsContact C-N 3.29Å; S38-W40 PolarHBondContact O-N 3.29Å; W40-I43 HydrophobicContact CD2-CD1 4.44Å; W40-I43 HydrophobicContact CE3-CD1 3.58Å; W40-I43 HydrophobicContact CZ3-CD1 4.04Å |
| 41 | E | 56.1 | Low | 56.1 | Low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -82.3 | -17 | -179.7 | -67.3 | -177.9 | 163.2 | 0 | 0 | 113.5 | F39 I43 | F39-E41 VanDerWaalsContact C-N 3.34Å; F39-E41 PolarHBondContact O-N 3.43Å; E41-I43 VanDerWaalsContact C-N 3.29Å; E41-I43 PolarHBondContact O-N 3.04Å |
| 42 | L | 58.6 | Low | 56.9 | Low | 145 Ų | 145 | 149.8 Ų | 149.8 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -82.9 | -3.2 | 176.6 | -71.2 | 172.8 | 0 | 0 | 0 | 113.5 | P44 | L42-P44 WeakPolarHBondContact O-CD 3.21Š|
| 43 | I | 62 | Low | 57.8 | Low | 78 Ų | 78 | 151.6 Ų | 151.6 | 40% | 0.4 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -78.6 | 113.8 | -179.4 | -58 | 173.8 | 0 | 0 | 0 | 108.1 | W40 E41 M45 | W40-I43 HydrophobicContact CD2-CD1 4.44Å; W40-I43 HydrophobicContact CE3-CD1 3.58Å; W40-I43 HydrophobicContact CZ3-CD1 4.04Å; E41-I43 VanDerWaalsContact C-N 3.29Å; E41-I43 PolarHBondContact O-N 3.04Å; I43-M45 PolarHBondContact O-N 3.4Å |
| 44 | P | 60.8 | Low | 58.9 | Low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | trans | -64.7 | 105.3 | 176.6 | -15.5 | 30.9 | 0 | 0 | 0 | 108.8 | L42 R46 | L42-P44 WeakPolarHBondContact O-CD 3.21Å; P44-R46 PolarHBondContact O-N 2.8Å | ||
| 45 | M | 45.1 | Very low | 59.9 | Low | 173 Ų | 173 | 154.9 Ų | 154.9 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | trans | -62.9 | 120.6 | -179.3 | -78.9 | -82.3 | -75.9 | 0 | 0 | 110.3 | I43 S47 | I43-M45 PolarHBondContact O-N 3.4Å; M45-S47 PolarHBondContact O-N 3.11Å; M45-S47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | R | 53.8 | Low | 60.4 | Low | 224 Ų | 224 | 155.8 Ų | 155.8 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -70.7 | 89.5 | -175.5 | -67.9 | 179.1 | 173.3 | 163.9 | -1 | 112.5 | P44 | P44-R46 PolarHBondContact O-N 2.8Š|
| 47 | S | 51.8 | Low | 61.4 | Low | 119 Ų | 119 | 151.1 Ų | 151.1 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -130.4 | 16.2 | 160 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | M45 | M45-S47 PolarHBondContact O-N 3.11Å; M45-S47 VanDerWaalsContact O-N 3.08Å | ||
| 48 | E | 51.4 | Low | 62.5 | Low | 166 Ų | 166 | 148.4 Ų | 148.4 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -82.6 | 146.6 | 164.2 | -101.6 | -172.3 | 140.1 | 0 | 0 | 110.4 | L50 | E48-L50 PolarHBondContact O-N 3.14Š|
| 49 | P | 59.3 | Low | 63.9 | Low | 121 Ų | 121 | 154.8 Ų | 154.8 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -51.6 | 118.9 | 175.6 | 19.7 | -30.3 | 0 | 0 | 0 | 110.6 | R51 | P49-R51 PolarHBondContact O-N 3.44Š| ||
| 50 | L | 60.8 | Low | 65.2 | Low | 142 Ų | 142 | 154.4 Ų | 154.4 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -59.7 | -4.9 | -155.8 | -119.7 | 77.1 | 0 | 0 | 0 | 117.4 | E48 | E48-L50 PolarHBondContact O-N 3.14Š|
| 51 | R | 63.1 | Low | 66.5 | Low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | -149.6 | 112.9 | 174.5 | -65.4 | -167.5 | 178.7 | -173.6 | 0.6 | 111.4 | P49 K53 | P49-R51 PolarHBondContact O-N 3.44Å; R51-K53 PolarHBondContact O-N 3.45Å; R51-K53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | K | 67.3 | Low | 68.1 | Low | 203 Ų | 203 | 146.6 Ų | 146.6 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -59.9 | 113.6 | 167 | -169.4 | 171.3 | -172.1 | 170.1 | 0 | 108.8 | K54 | K52-K54 PolarHBondContact O-N 3.49Å; K52-K54 VanDerWaalsContact O-N 3.14Å | ||
| 53 | K | 69.7 | Low | 69.6 | Low | 202 Ų | 202 | 141.7 Ų | 141.7 | 88% | 0.878 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 118.9 | 174.3 | -68.2 | -175.1 | -179.3 | -179.4 | 0 | 108.2 | R51 K55 | R51-K53 PolarHBondContact O-N 3.45Å; R51-K53 VanDerWaalsContact O-N 3.11Å; K53-K55 PolarHBondContact O-N 3.38Å |
| 54 | K | 71.1 | Confident | 70.9 | Confident | 203 Ų | 203 | 140.2 Ų | 140.2 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 131.9 | 177.4 | -68.8 | -174.2 | 177.5 | -177.7 | 0 | 108.7 | K52 | K52-K54 PolarHBondContact O-N 3.49Å; K52-K54 VanDerWaalsContact O-N 3.14Å |
| 55 | K | 72.3 | Confident | 72.4 | Confident | 198 Ų | 198 | 141.3 Ų | 141.3 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 150.2 | 170.9 | -70.9 | -174.9 | 175.9 | -176.5 | 0 | 109 | K53 D57 | K53-K55 PolarHBondContact O-N 3.38Å; K55-D57 PolarHBondContact O-N 2.77Å |
| 56 | V | 73.5 | Confident | 74.7 | Confident | 93 Ų | 93 | 138 Ų | 138 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 138.2 | 179.7 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | K60 D61 | V56-K60 HydrophobicContact CG1-CB 4.04Å; V56-K60 HydrophobicContact CG1-CD 4.37Å; V56-D61 VanDerWaalsContact CG1-OD1 3.31Å; V56-D61 WeakPolarHBondContact CG1-OD1 3.5Å |
| 57 | D | 80.3 | Confident | 76.6 | Confident | 79 Ų | 79 | 135.7 Ų | 135.7 | 42% | 0.422 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 132.2 | -179.4 | -55.1 | -55.7 | 0 | 0 | 0 | 110 | K55 K59 K60 D61 | K55-D57 PolarHBondContact O-N 2.77Å; D57-K59 PolarHBondContact O-N 3.39Å; D57-K60 HydrophobicContact CB-CD 4.16Å; D57-K60 HydrophobicContact CB-CG 4.24Å; D57-K60 WeakPolarHBondContact O-CB 3.32Å; D57-K60 PolarHBondContact O-N 3.37Å; D57-K60 VanDerWaalsContact OD2-CE 3.32Å; D57-K60 WeakPolarHBondContact OD2-CE 3.39Å; D57-K60 IonicContact OD2-NZ 2.78Å; D57-K60 PolarHBondContact OD2-NZ 3.03Å; D57-D61 PolarHBondContact O-N 2.88Å |
| 58 | P | 83.5 | Confident | 78.6 | Confident | 91 Ų | 91 | 134.7 Ų | 134.7 | 59% | 0.591 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.6 | -25.6 | -177.9 | 23.2 | -33.9 | 0 | 0 | 0 | 113 | D61 Q62 | P58-D61 PolarHBondContact O-N 3.1Å; P58-Q62 VanDerWaalsContact O-CG 3.3Å; P58-Q62 WeakPolarHBondContact O-CG 3.31Å; P58-Q62 PolarHBondContact O-N 3.3Å |
| 59 | K | 85.9 | Confident | 80.6 | Confident | 170 Ų | 170 | 133 Ų | 133 | 74% | 0.739 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.9 | -35.6 | 174 | -68.5 | -173.5 | 175.8 | -177.6 | 0 | 112.8 | D57 D61 A63 | D57-K59 PolarHBondContact O-N 3.39Å; K59-D61 VanDerWaalsContact C-N 3.35Å; K59-A63 WeakPolarHBondContact O-CB 3.3Å; K59-A63 PolarHBondContact O-N 2.98Å |
| 60 | K | 85.2 | Confident | 82.2 | Confident | 130 Ų | 130 | 134.8 Ų | 134.8 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.6 | -39.3 | 176 | -70.1 | 173.5 | 175.6 | 154.1 | 0 | 110.4 | V56 D57 A63 A64 | V56-K60 HydrophobicContact CG1-CB 4.04Å; V56-K60 HydrophobicContact CG1-CD 4.37Å; D57-K60 HydrophobicContact CB-CD 4.16Å; D57-K60 HydrophobicContact CB-CG 4.24Å; D57-K60 WeakPolarHBondContact O-CB 3.32Å; D57-K60 PolarHBondContact O-N 3.37Å; D57-K60 VanDerWaalsContact OD2-CE 3.32Å; D57-K60 WeakPolarHBondContact OD2-CE 3.39Å; D57-K60 IonicContact OD2-NZ 2.78Å; D57-K60 PolarHBondContact OD2-NZ 3.03Å; K60-A63 PolarHBondContact O-N 3.35Å; K60-A64 WeakPolarHBondContact O-CB 3.39Å; K60-A64 PolarHBondContact O-N 3.3Å |
| 61 | D | 85.8 | Confident | 83.6 | Confident | 79 Ų | 79 | 136 Ų | 136 | 42% | 0.422 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.4 | -41.6 | 176.7 | -63.7 | -17 | 0 | 0 | 0 | 111.9 | V56 D57 P58 K59 A64 K65 | V56-D61 VanDerWaalsContact CG1-OD1 3.31Å; V56-D61 WeakPolarHBondContact CG1-OD1 3.5Å; D57-D61 PolarHBondContact O-N 2.88Å; P58-D61 PolarHBondContact O-N 3.1Å; K59-D61 VanDerWaalsContact C-N 3.35Å; D61-A64 PolarHBondContact O-N 3.19Å; D61-K65 WeakPolarHBondContact O-CG 3.34Å; D61-K65 PolarHBondContact O-N 3.03Å; D61-K65 VanDerWaalsContact O-N 3.08Å |
| 62 | Q | 87.8 | Confident | 84.9 | Confident | 120 Ų | 120 | 129.3 Ų | 129.3 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.6 | -46.9 | 175.1 | -72.7 | 170.5 | -3 | 0 | 0 | 111.9 | P58 A64 K65 E66 | P58-Q62 VanDerWaalsContact O-CG 3.3Å; P58-Q62 WeakPolarHBondContact O-CG 3.31Å; P58-Q62 PolarHBondContact O-N 3.3Å; Q62-A64 VanDerWaalsContact C-N 3.31Å; Q62-A64 PolarHBondContact O-N 3.15Å; Q62-K65 WeakPolarHBondContact O-CB 3.36Å; Q62-K65 PolarHBondContact O-N 3.32Å; Q62-E66 PolarHBondContact O-N 3.21Å |
| 63 | A | 90.4 | Very high | 86.1 | Confident | 42 Ų | 42 | 127.4 Ų | 127.4 | 35% | 0.347 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.2 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K59 K60 E66 R67 | K59-A63 WeakPolarHBondContact O-CB 3.3Å; K59-A63 PolarHBondContact O-N 2.98Å; K60-A63 PolarHBondContact O-N 3.35Å; A63-E66 PolarHBondContact O-N 2.84Å; A63-R67 VanDerWaalsContact O-CG 3.25Å; A63-R67 WeakPolarHBondContact O-CG 3.35Å; A63-R67 PolarHBondContact O-N 3.33Å |
| 64 | A | 90.4 | Very high | 87.1 | Confident | 47 Ų | 47 | 124.9 Ų | 124.9 | 39% | 0.388 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.7 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K60 D61 Q62 E66 R67 L68 | K60-A64 WeakPolarHBondContact O-CB 3.39Å; K60-A64 PolarHBondContact O-N 3.3Å; D61-A64 PolarHBondContact O-N 3.19Å; Q62-A64 VanDerWaalsContact C-N 3.31Å; Q62-A64 PolarHBondContact O-N 3.15Å; A64-E66 PolarHBondContact O-N 3.39Å; A64-R67 PolarHBondContact O-N 2.86Å; A64-L68 WeakPolarHBondContact O-CG 3.48Å; A64-L68 PolarHBondContact O-N 3.02Å |
| 65 | K | 92.1 | Very high | 87.8 | Confident | 137 Ų | 137 | 120.6 Ų | 120.6 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.3 | -43.7 | 176 | -71.6 | 174.5 | -177.6 | -176.8 | 0 | 112.2 | D61 Q62 L68 K69 | D61-K65 WeakPolarHBondContact O-CG 3.34Å; D61-K65 PolarHBondContact O-N 3.03Å; D61-K65 VanDerWaalsContact O-N 3.08Å; Q62-K65 WeakPolarHBondContact O-CB 3.36Å; Q62-K65 PolarHBondContact O-N 3.32Å; K65-L68 PolarHBondContact O-N 3.43Å; K65-K69 WeakPolarHBondContact O-CG 3.29Å; K65-K69 PolarHBondContact O-N 2.95Å |
| 66 | E | 93.8 | Very high | 88.6 | Confident | 105 Ų | 105 | 117.9 Ų | 117.9 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -40.4 | 177.9 | -71.2 | -171.8 | -174.7 | 0 | 0 | 112.7 | Q62 A63 A64 L68 K69 R70 | Q62-E66 PolarHBondContact O-N 3.21Å; A63-E66 PolarHBondContact O-N 2.84Å; A64-E66 PolarHBondContact O-N 3.39Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.08Å; E66-K69 PolarHBondContact O-N 3.19Å; E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.46Å; E66-R70 PolarHBondContact O-N 2.95Å; E66-R70 IonicContact OE2-NH2 2.65Å |
| 67 | R | 92.6 | Very high | 89.3 | Confident | 174 Ų | 174 | 122 Ų | 122 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -42.6 | 174.9 | -72.5 | 171.6 | -177.8 | -166.9 | 0.8 | 111.4 | A63 A64 R70 R71 | A63-R67 VanDerWaalsContact O-CG 3.25Å; A63-R67 WeakPolarHBondContact O-CG 3.35Å; A63-R67 PolarHBondContact O-N 3.33Å; A64-R67 PolarHBondContact O-N 2.86Å; R67-R70 PolarHBondContact O-N 3.37Å; R67-R71 WeakPolarHBondContact O-CG 3.39Å; R67-R71 PolarHBondContact O-N 3.46Å |
| 68 | L | 93.9 | Very high | 89.6 | Confident | 99 Ų | 99 | 119.4 Ų | 119.4 | 52% | 0.518 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.3 | -46.8 | 175.5 | -71.7 | 172.3 | 0 | 0 | 0 | 111.7 | A64 K65 E66 R70 R71 I72 | A64-L68 WeakPolarHBondContact O-CG 3.48Å; A64-L68 PolarHBondContact O-N 3.02Å; K65-L68 PolarHBondContact O-N 3.43Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.08Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.46Å; L68-R71 WeakPolarHBondContact O-CB 3.4Å; L68-R71 PolarHBondContact O-N 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.38Å; L68-I72 PolarHBondContact O-N 3.03Å |
| 69 | K | 94.7 | Very high | 89.6 | Confident | 130 Ų | 130 | 119.8 Ų | 119.8 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -56.8 | -41.8 | 175.3 | -73.2 | 177.5 | -179.2 | -174.1 | 0 | 112.2 | K65 E66 R71 R73 | K65-K69 WeakPolarHBondContact O-CG 3.29Å; K65-K69 PolarHBondContact O-N 2.95Å; E66-K69 PolarHBondContact O-N 3.19Å; K69-R71 VanDerWaalsContact C-N 3.35Å; K69-R73 WeakPolarHBondContact O-CB 3.34Å; K69-R73 VanDerWaalsContact O-CG 3.29Å; K69-R73 WeakPolarHBondContact O-CG 3.49Å; K69-R73 PolarHBondContact O-N 3.46Å |
| 70 | R | 92.7 | Very high | 89.6 | Confident | 159 Ų | 159 | 119.9 Ų | 119.9 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.3 | -35.9 | 176.7 | -70 | 176 | -166.7 | -168.6 | 6.7 | 112.1 | E66 R67 L68 K74 | E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.46Å; E66-R70 PolarHBondContact O-N 2.95Å; E66-R70 IonicContact OE2-NH2 2.65Å; R67-R70 PolarHBondContact O-N 3.37Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.46Å; R70-K74 WeakPolarHBondContact O-CG 3.42Å; R70-K74 PolarHBondContact O-N 3.34Å |
| 71 | R | 88.9 | Confident | 89.7 | Confident | 167 Ų | 167 | 120.2 Ų | 120.2 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.6 | -46.3 | 175.5 | -72.9 | 176.2 | -178.2 | -175.5 | -1.3 | 111.4 | R67 L68 K69 R73 K74 L75 | R67-R71 WeakPolarHBondContact O-CG 3.39Å; R67-R71 PolarHBondContact O-N 3.46Å; L68-R71 WeakPolarHBondContact O-CB 3.4Å; L68-R71 PolarHBondContact O-N 3.3Å; K69-R71 VanDerWaalsContact C-N 3.35Å; R71-R73 PolarHBondContact O-N 2.91Å; R71-K74 WeakPolarHBondContact O-CB 3.11Å; R71-K74 PolarHBondContact O-N 3.36Å; R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.36Å |
| 72 | I | 91.7 | Very high | 90 | Very high | 87 Ų | 87 | 124.2 Ų | 124.2 | 45% | 0.446 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -57.5 | -48.9 | 175.8 | -67.2 | 166.1 | 0 | 0 | 0 | 110.4 | L68 K74 L75 E76 | L68-I72 WeakPolarHBondContact O-CG1 3.38Å; L68-I72 PolarHBondContact O-N 3.03Å; I72-K74 PolarHBondContact O-N 3.37Å; I72-K74 VanDerWaalsContact O-N 3.12Å; I72-L75 WeakPolarHBondContact O-CB 3.39Å; I72-L75 PolarHBondContact O-N 3.36Å; I72-E76 HydrophobicContact CG2-CG 4.12Å; I72-E76 VanDerWaalsContact CG2-OE1 3.29Å; I72-E76 WeakPolarHBondContact CG2-OE1 3.25Å; I72-E76 WeakPolarHBondContact O-CG 3.26Å; I72-E76 PolarHBondContact O-N 3.46Å |
| 73 | R | 92.6 | Very high | 90.3 | Very high | 163 Ų | 163 | 124.4 Ų | 124.4 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.2 | -26.9 | 176.1 | -73.6 | 175.6 | -178.1 | -175.1 | -0.6 | 114.1 | K69 R71 K77 | K69-R73 WeakPolarHBondContact O-CB 3.34Å; K69-R73 VanDerWaalsContact O-CG 3.29Å; K69-R73 WeakPolarHBondContact O-CG 3.49Å; K69-R73 PolarHBondContact O-N 3.46Å; R71-R73 PolarHBondContact O-N 2.91Å; R73-K77 WeakPolarHBondContact O-CB 3.38Å; R73-K77 WeakPolarHBondContact O-CD 3.31Å; R73-K77 WeakPolarHBondContact O-CG 3.39Å; R73-K77 PolarHBondContact O-N 3.03Å |
| 74 | K | 89.6 | Confident | 90.5 | Very high | 149 Ų | 149 | 124.7 Ų | 124.7 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78.8 | -38.7 | 175 | -74.8 | 178.7 | 177.9 | -165.6 | 0 | 111.3 | R70 R71 I72 K77 A78 | R70-K74 WeakPolarHBondContact O-CG 3.42Å; R70-K74 PolarHBondContact O-N 3.34Å; R71-K74 WeakPolarHBondContact O-CB 3.11Å; R71-K74 PolarHBondContact O-N 3.36Å; I72-K74 PolarHBondContact O-N 3.37Å; I72-K74 VanDerWaalsContact O-N 3.12Å; K74-K77 PolarHBondContact O-N 3.28Å; K74-A78 PolarHBondContact O-N 3.2Å; K74-A78 VanDerWaalsContact O-N 3.17Å |
| 75 | L | 86.5 | Confident | 90.7 | Very high | 113 Ų | 113 | 126.9 Ų | 126.9 | 59% | 0.592 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.1 | -42.4 | 175.8 | -66.6 | 170.8 | 0 | 0 | 0 | 111.5 | R71 I72 K77 A78 L204 | R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.36Å; I72-L75 WeakPolarHBondContact O-CB 3.39Å; I72-L75 PolarHBondContact O-N 3.36Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 3.18Å; L75-A78 WeakPolarHBondContact O-CB 3.29Å; L75-A78 PolarHBondContact O-N 3.24Å; L75-L204 HydrophobicContact CD2-CD1 3.88Å |
| 76 | E | 87.6 | Confident | 90.7 | Very high | 142 Ų | 142 | 124.5 Ų | 124.5 | 66% | 0.664 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.2 | -32.3 | 175.9 | -70.8 | 170.9 | 169.9 | 0 | 0 | 112.8 | I72 A78 | I72-E76 HydrophobicContact CG2-CG 4.12Å; I72-E76 VanDerWaalsContact CG2-OE1 3.29Å; I72-E76 WeakPolarHBondContact CG2-OE1 3.25Å; I72-E76 WeakPolarHBondContact O-CG 3.26Å; I72-E76 PolarHBondContact O-N 3.46Å; E76-A78 VanDerWaalsContact C-N 3.33Å |
| 77 | K | 89.4 | Confident | 90.7 | Very high | 178 Ų | 178 | 127 Ų | 127 | 77% | 0.774 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.9 | -18.5 | 177.2 | -77.8 | 179.1 | -178.5 | -162.9 | 0 | 113.2 | R73 K74 L75 | R73-K77 WeakPolarHBondContact O-CB 3.38Å; R73-K77 WeakPolarHBondContact O-CD 3.31Å; R73-K77 WeakPolarHBondContact O-CG 3.39Å; R73-K77 PolarHBondContact O-N 3.03Å; K74-K77 PolarHBondContact O-N 3.28Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 3.18Å |
| 78 | A | 86.1 | Confident | 90.8 | Very high | 26 Ų | 26 | 126.8 Ų | 126.8 | 22% | 0.215 | 60% | 0.603 | C | S | . | * | S | Bend | trans | -75 | 143.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K74 L75 E76 Q80 L204 | K74-A78 PolarHBondContact O-N 3.2Å; K74-A78 VanDerWaalsContact O-N 3.17Å; L75-A78 WeakPolarHBondContact O-CB 3.29Å; L75-A78 PolarHBondContact O-N 3.24Å; E76-A78 VanDerWaalsContact C-N 3.33Å; A78-Q80 PolarHBondContact O-N 3.01Å; A78-L204 HydrophobicContact CB-CD1 3.7Å; A78-L204 HydrophobicContact CB-CD2 3.18Å; A78-L204 HydrophobicContact CB-CG 4.07Å |
| 79 | S | 82.9 | Confident | 90.8 | Very high | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129.8 | 173.6 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | Q201 | S79-Q201 PolarHBondContact O-NE2 3.3Å; S79-Q201 VanDerWaalsContact O-NE2 3.12Å |
| 80 | Q | 86.4 | Confident | 90.8 | Very high | 171 Ų | 171 | 125.1 Ų | 125.1 | 80% | 0.799 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -75 | 133.9 | 171.7 | -65.4 | 177.4 | 2.4 | 0 | 0 | 109.4 | A78 | A78-Q80 PolarHBondContact O-N 3.01Š|
| 81 | E | 88.1 | Confident | 90.9 | Very high | 137 Ų | 137 | 120.7 Ų | 120.7 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 136.4 | 170.8 | -71.7 | 174.1 | -174.7 | 0 | 0 | 109.4 | Q201 | E81-Q201 HydrophobicContact CG-CG 4.48Å; E81-Q201 VanDerWaalsContact N-OE1 3.11Å |
| 82 | L | 91.8 | Very high | 91 | Very high | 164 Ų | 164 | 119.3 Ų | 119.3 | 86% | 0.859 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 142.7 | 175.5 | -62.8 | 177.3 | 0 | 0 | 0 | 109.9 | ||
| 83 | I | 93.3 | Very high | 91 | Very high | 123 Ų | 123 | 122.4 Ų | 122.4 | 63% | 0.631 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 129.1 | 172.9 | -60.9 | 176.7 | 0 | 0 | 0 | 108.4 | Y199 | I83-Y199 HydrophobicContact CG2-CD2 3.64Å; I83-Y199 HydrophobicContact CG2-CE2 4.24Å; I83-Y199 HydrophobicContact CG2-CG 4.28Å |
| 84 | P | 95.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 121.1 Ų | 121.1 | 31% | 0.312 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 140.7 | -179.7 | 27.9 | -34.7 | 0 | 0 | 0 | 111.2 | E86 I89 Y199 | P84-E86 PolarHBondContact O-N 3.19Å; P84-I89 HydrophobicContact CB-CD1 3.81Å; P84-Y199 HydrophobicContact CG-CD1 3.7Å; P84-Y199 HydrophobicContact CG-CD2 4.28Å; P84-Y199 HydrophobicContact CG-CE1 3.44Å; P84-Y199 VanDerWaalsContact CG-CE1 3.44Å; P84-Y199 HydrophobicContact CG-CE2 4.05Å; P84-Y199 HydrophobicContact CG-CG 4.12Å |
| 85 | I | 95.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 119.3 Ų | 119.3 | 48% | 0.477 | 61% | 0.606 | S | S | . | * | trans | -87.5 | 107.6 | 174.5 | -59.8 | 172.3 | 0 | 0 | 0 | 107.9 | D87 F88 I89 | I85-D87 VanDerWaalsContact C-N 3.25Å; I85-D87 HydrophobicContact CG2-CB 4.47Å; I85-D87 PolarHBondContact O-N 3.03Å; I85-F88 HydrophobicContact CB-CD2 3.73Å; I85-F88 HydrophobicContact CB-CE2 4.35Å; I85-F88 HydrophobicContact CB-CG 4.42Å; I85-F88 HydrophobicContact CD1-CD2 3.72Å; I85-F88 HydrophobicContact CD1-CE2 3.59Å; I85-F88 HydrophobicContact CG1-CD2 4.31Å; I85-F88 HydrophobicContact CG2-CB 4.42Å; I85-F88 HydrophobicContact CG2-CD2 3.55Å; I85-F88 HydrophobicContact CG2-CE2 3.96Å; I85-F88 HydrophobicContact CG2-CG 4.02Å; I85-F88 PolarHBondContact O-N 3.01Å; I85-I89 PolarHBondContact O-N 3.02Å | ||
| 86 | E | 92.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 119.1 Ų | 119.1 | 41% | 0.407 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.8 | -34.8 | -174.6 | -60.2 | -163.6 | 176.7 | 0 | 0 | 112.5 | P84 F88 I89 K197 Y199 | P84-E86 PolarHBondContact O-N 3.19Å; E86-F88 PolarHBondContact O-N 3.36Å; E86-I89 PolarHBondContact O-N 3.27Å; E86-I89 VanDerWaalsContact O-O 3.09Å; E86-K197 WeakPolarHBondContact OE1-CD 3.26Å; E86-K197 IonicContact OE1-NZ 3.77Å; E86-K197 PolarHBondContact OE1-NZ 3.47Å; E86-K197 IonicContact OE2-NZ 2.77Å; E86-K197 PolarHBondContact OE2-NZ 2.87Å; E86-Y199 PolarHBondContact OE1-OH 2.9Å |
| 87 | D | 93 | Very high | 91.3 | Very high | 158 Ų | 158 | 119.8 Ų | 119.8 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -28.3 | -177 | -62.8 | -26.2 | 0 | 0 | 0 | 113.8 | I85 | I85-D87 VanDerWaalsContact C-N 3.25Å; I85-D87 HydrophobicContact CG2-CB 4.47Å; I85-D87 PolarHBondContact O-N 3.03Å |
| 88 | F | 95.1 | Very high | 91.4 | Very high | 169 Ų | 169 | 116.1 Ų | 116.1 | 74% | 0.741 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -27.4 | 176.6 | -68.6 | -35.1 | 0 | 0 | 0 | 112.4 | I85 E86 T90 | I85-F88 HydrophobicContact CB-CD2 3.73Å; I85-F88 HydrophobicContact CB-CE2 4.35Å; I85-F88 HydrophobicContact CB-CG 4.42Å; I85-F88 HydrophobicContact CD1-CD2 3.72Å; I85-F88 HydrophobicContact CD1-CE2 3.59Å; I85-F88 HydrophobicContact CG1-CD2 4.31Å; I85-F88 HydrophobicContact CG2-CB 4.42Å; I85-F88 HydrophobicContact CG2-CD2 3.55Å; I85-F88 HydrophobicContact CG2-CE2 3.96Å; I85-F88 HydrophobicContact CG2-CG 4.02Å; I85-F88 PolarHBondContact O-N 3.01Å; E86-F88 PolarHBondContact O-N 3.36Å; F88-T90 PolarHBondContact O-N 3.03Å |
| 89 | I | 94.5 | Very high | 91.5 | Very high | 101 Ų | 101 | 123.7 Ų | 123.7 | 52% | 0.518 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -87.6 | 113.4 | -177.2 | -59.7 | 170.2 | 0 | 0 | 0 | 108.3 | P84 I85 E86 P91 | P84-I89 HydrophobicContact CB-CD1 3.81Å; I85-I89 PolarHBondContact O-N 3.02Å; E86-I89 PolarHBondContact O-N 3.27Å; E86-I89 VanDerWaalsContact O-O 3.09Å; I89-P91 WeakPolarHBondContact O-CD 3.41Å |
| 90 | T | 94.1 | Very high | 92 | Very high | 93 Ų | 93 | 125.1 Ų | 125.1 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | trans | -62.3 | 120.3 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | F88 F94 | F88-T90 PolarHBondContact O-N 3.03Å; T90-F94 HydrophobicContact CG2-CB 4.19Å; T90-F94 HydrophobicContact CG2-CD2 4.32Å | ||
| 91 | P | 94.7 | Very high | 92.4 | Very high | 66 Ų | 66 | 128 Ų | 128 | 43% | 0.429 | 63% | 0.631 | S | S | . | * | trans | -61.2 | 144.3 | 176.1 | -25.6 | 34.4 | 0 | 0 | 0 | 112.4 | I89 K93 F94 | I89-P91 WeakPolarHBondContact O-CD 3.41Å; P91-K93 PolarHBondContact O-N 3.37Å; P91-F94 HydrophobicContact CB-CD2 4.14Å; P91-F94 HydrophobicContact CB-CE2 4.26Å; P91-F94 HydrophobicContact CG-CD2 4.14Å; P91-F94 HydrophobicContact CG-CE2 3.95Å; P91-F94 PolarHBondContact O-N 3.44Å | ||
| 92 | L | 91.8 | Very high | 92.7 | Very high | 139 Ų | 139 | 127 Ų | 127 | 73% | 0.728 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -55.8 | -28.3 | 179.4 | -61.5 | 177.9 | 0 | 0 | 0 | 113.2 | F94 L95 | L92-F94 PolarHBondContact O-N 2.98Å; L92-F94 VanDerWaalsContact O-N 3.07Å; L92-L95 HydrophobicContact CD2-CD1 3.62Å; L92-L95 WeakPolarHBondContact O-CB 3.29Å; L92-L95 PolarHBondContact O-N 3.31Å |
| 93 | K | 91.3 | Very high | 92.8 | Very high | 152 Ų | 152 | 128.5 Ų | 128.5 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -57.2 | -22.1 | 177.7 | -61.9 | -179.6 | -178.6 | 176.6 | 0 | 114.1 | P91 | P91-K93 PolarHBondContact O-N 3.37Š|
| 94 | F | 90.9 | Very high | 92.9 | Very high | 135 Ų | 135 | 128.4 Ų | 128.4 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -97.3 | -6.6 | 179.5 | -58.7 | -55.2 | 0 | 0 | 0 | 113.8 | T90 P91 L92 D96 | T90-F94 HydrophobicContact CG2-CB 4.19Å; T90-F94 HydrophobicContact CG2-CD2 4.32Å; P91-F94 HydrophobicContact CB-CD2 4.14Å; P91-F94 HydrophobicContact CB-CE2 4.26Å; P91-F94 HydrophobicContact CG-CD2 4.14Å; P91-F94 HydrophobicContact CG-CE2 3.95Å; P91-F94 PolarHBondContact O-N 3.44Å; L92-F94 PolarHBondContact O-N 2.98Å; L92-F94 VanDerWaalsContact O-N 3.07Å; F94-D96 VanDerWaalsContact C-N 3.28Å |
| 95 | L | 89.6 | Confident | 92.8 | Very high | 111 Ų | 111 | 135 Ų | 135 | 58% | 0.581 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -25.7 | 174.8 | -60.3 | 179 | 0 | 0 | 0 | 111.6 | L92 K97 | L92-L95 HydrophobicContact CD2-CD1 3.62Å; L92-L95 WeakPolarHBondContact O-CB 3.29Å; L92-L95 PolarHBondContact O-N 3.31Å; L95-K97 PolarHBondContact O-N 3.31Å |
| 96 | D | 91.6 | Very high | 92.9 | Very high | 109 Ų | 109 | 134.1 Ų | 134.1 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | trans | -66.6 | 118.5 | 176.3 | -66.4 | -20.3 | 0 | 0 | 0 | 111.1 | F94 A98 | F94-D96 VanDerWaalsContact C-N 3.28Å; D96-A98 PolarHBondContact O-N 2.96Å | ||
| 97 | K | 89.6 | Confident | 93.2 | Very high | 157 Ų | 157 | 133.7 Ų | 133.7 | 68% | 0.683 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -70.3 | -10.7 | -178.3 | -57.2 | -170.1 | -179.5 | 177.1 | 0 | 114.1 | L95 R99 Q100 | L95-K97 PolarHBondContact O-N 3.31Å; K97-R99 PolarHBondContact O-N 3.35Å; K97-R99 VanDerWaalsContact O-N 3.12Å; K97-Q100 HydrophobicContact CB-CG 4.33Å; K97-Q100 VanDerWaalsContact O-CB 3.29Å; K97-Q100 WeakPolarHBondContact O-CB 3.47Å; K97-Q100 WeakPolarHBondContact O-CG 3.49Å; K97-Q100 PolarHBondContact O-N 3.03Å |
| 98 | A | 91.7 | Very high | 93.4 | Very high | 100 Ų | 100 | 133.4 Ų | 133.4 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -59.8 | -25.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | D96 | D96-A98 PolarHBondContact O-N 2.96Š|
| 99 | R | 88.8 | Confident | 93.5 | Very high | 186 Ų | 186 | 132.9 Ų | 132.9 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -94.7 | 2.1 | 178.9 | -62.1 | -179.3 | 176.6 | -166.5 | -3 | 113.4 | K97 R101 | K97-R99 PolarHBondContact O-N 3.35Å; K97-R99 VanDerWaalsContact O-N 3.12Å; R99-R101 PolarHBondContact O-N 3.48Å |
| 100 | Q | 93.8 | Very high | 93.7 | Very high | 129 Ų | 129 | 132.3 Ų | 132.3 | 60% | 0.603 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.5 | -179.9 | -69.8 | -179 | -6 | 0 | 0 | 110.1 | K97 | K97-Q100 HydrophobicContact CB-CG 4.33Å; K97-Q100 VanDerWaalsContact O-CB 3.29Å; K97-Q100 WeakPolarHBondContact O-CB 3.47Å; K97-Q100 WeakPolarHBondContact O-CG 3.49Å; K97-Q100 PolarHBondContact O-N 3.03Å |
| 101 | R | 93.5 | Very high | 93.9 | Very high | 231 Ų | 231 | 130.7 Ų | 130.7 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 139.3 | 169.6 | -64 | -179.2 | -179.3 | 179.9 | -0.6 | 108.3 | R99 | R99-R101 PolarHBondContact O-N 3.48Š|
| 102 | P | 94.5 | Very high | 94 | Very high | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.4 | 175.7 | 27.2 | -34.1 | 0 | 0 | 0 | 110 | V104 | P102-V104 PolarHBondContact O-N 3Š|
| 103 | Q | 93.7 | Very high | 94.3 | Very high | 196 Ų | 196 | 134.7 Ų | 134.7 | 92% | 0.916 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.7 | 175.5 | -67.8 | -178.2 | -11 | 0 | 0 | 109.2 | ||
| 104 | V | 95.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 124.3 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 108 | P102 | P102-V104 PolarHBondContact O-N 3Š|
| 105 | E | 94.6 | Very high | 95 | Very high | 187 Ų | 187 | 129.5 Ų | 129.5 | 87% | 0.874 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 133.3 | 171.7 | -64.6 | -179 | -179.2 | 0 | 0 | 109.5 | ||
| 106 | L | 96 | Very high | 95.5 | Very high | 73 Ų | 73 | 128.1 Ų | 128.1 | 38% | 0.382 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -94.1 | 140.5 | 179.7 | -58.5 | 176.4 | 0 | 0 | 0 | 109.3 | T111 R114 | L106-T111 HydrophobicContact CB-CG2 3.68Å; L106-T111 HydrophobicContact CD1-CG2 4.19Å; L106-R114 VanDerWaalsContact CD1-NH1 3.31Å |
| 107 | T | 98.1 | Very high | 95.8 | Very high | 78 Ų | 78 | 128.3 Ų | 128.3 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 153.6 | 171.8 | 60.5 | 0 | 0 | 0 | 0 | 110.4 | E109 E110 T111 | T107-E109 VanDerWaalsContact C-N 3.28Å; T107-E109 PolarHBondContact O-N 2.89Å; T107-E110 PolarHBondContact O-N 3.37Å; T107-E110 VanDerWaalsContact O-N 3.14Å; T107-E110 WeakPolarHBondContact OG1-CG 3.29Å; T107-T111 PolarHBondContact O-N 3.27Å; T107-T111 VanDerWaalsContact O-N 3.12Å |
| 108 | F | 97.6 | Very high | 96.2 | Very high | 153 Ų | 153 | 126.4 Ų | 126.4 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -54.1 | -46.2 | 179.2 | 176.9 | -98.8 | 0 | 0 | 0 | 111.8 | E110 T111 E112 | F108-E110 VanDerWaalsContact C-N 3.31Å; F108-E110 PolarHBondContact O-N 3.18Å; F108-T111 PolarHBondContact O-N 2.95Å; F108-T111 VanDerWaalsContact O-N 3.13Å; F108-T111 PolarHBondContact O-OG1 3.13Å; F108-E112 WeakPolarHBondContact CE1-OE2 3.48Å; F108-E112 PolarHBondContact O-N 3.07Å |
| 109 | E | 97.9 | Very high | 96.5 | Very high | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -57.6 | -41.2 | 178.8 | -61.6 | -179.2 | -178.6 | 0 | 0 | 112.7 | T107 R113 | T107-E109 VanDerWaalsContact C-N 3.28Å; T107-E109 PolarHBondContact O-N 2.89Å; E109-R113 VanDerWaalsContact O-CB 3.26Å; E109-R113 WeakPolarHBondContact O-CB 3.32Å; E109-R113 PolarHBondContact O-N 3.05Å |
| 110 | E | 97.9 | Very high | 97 | Very high | 89 Ų | 89 | 127.2 Ų | 127.2 | 42% | 0.416 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67 | -41.4 | 177.3 | -76.7 | -175.6 | -170.7 | 0 | 0 | 112.2 | T107 F108 R113 R114 | T107-E110 PolarHBondContact O-N 3.37Å; T107-E110 VanDerWaalsContact O-N 3.14Å; T107-E110 WeakPolarHBondContact OG1-CG 3.29Å; F108-E110 VanDerWaalsContact C-N 3.31Å; F108-E110 PolarHBondContact O-N 3.18Å; E110-R113 PolarHBondContact O-N 3.07Å; E110-R114 VanDerWaalsContact O-CG 3.3Å; E110-R114 WeakPolarHBondContact O-CG 3.49Å; E110-R114 PolarHBondContact O-N 3.24Å; E110-R114 IonicContact OE2-NH2 3.67Å |
| 111 | T | 98 | Very high | 97.3 | Very high | 60 Ų | 60 | 127.7 Ų | 127.7 | 37% | 0.368 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | L106 T107 F108 R114 A115 | L106-T111 HydrophobicContact CB-CG2 3.68Å; L106-T111 HydrophobicContact CD1-CG2 4.19Å; T107-T111 PolarHBondContact O-N 3.27Å; T107-T111 VanDerWaalsContact O-N 3.12Å; F108-T111 PolarHBondContact O-N 2.95Å; F108-T111 VanDerWaalsContact O-N 3.13Å; F108-T111 PolarHBondContact O-OG1 3.13Å; T111-R114 PolarHBondContact O-N 3Å; T111-A115 WeakPolarHBondContact O-CB 3.4Å; T111-A115 PolarHBondContact O-N 2.93Å |
| 112 | E | 98.4 | Very high | 97.5 | Very high | 96 Ų | 96 | 120.5 Ų | 120.5 | 45% | 0.449 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.9 | -45 | 176.9 | -173.7 | 172.7 | -165.9 | 0 | 0 | 111.3 | F108 R114 A115 L116 | F108-E112 WeakPolarHBondContact CE1-OE2 3.48Å; F108-E112 PolarHBondContact O-N 3.07Å; E112-R114 VanDerWaalsContact C-N 3.31Å; E112-R114 PolarHBondContact O-N 2.98Å; E112-A115 PolarHBondContact O-N 3.12Å; E112-A115 VanDerWaalsContact O-N 3.16Å; E112-L116 HydrophobicContact CG-CD1 4.16Å; E112-L116 HydrophobicContact CG-CG 4.38Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; E112-L116 PolarHBondContact O-N 3.44Å |
| 113 | R | 98.4 | Very high | 97.7 | Very high | 193 Ų | 193 | 119.3 Ų | 119.3 | 73% | 0.728 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -55.8 | -45.6 | 174.8 | 177.1 | -175.4 | 153.9 | 171.8 | -4.4 | 111.5 | E109 E110 L117 | E109-R113 VanDerWaalsContact O-CB 3.26Å; E109-R113 WeakPolarHBondContact O-CB 3.32Å; E109-R113 PolarHBondContact O-N 3.05Å; E110-R113 PolarHBondContact O-N 3.07Å; R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 PolarHBondContact O-N 3.38Å |
| 114 | R | 98.1 | Very high | 97.9 | Very high | 131 Ų | 131 | 115.2 Ų | 115.2 | 49% | 0.494 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -44.3 | 177.3 | -72.2 | 177.4 | -168.3 | -167.9 | 8.2 | 111.4 | L106 E110 T111 E112 L116 L117 L118 | L106-R114 VanDerWaalsContact CD1-NH1 3.31Å; E110-R114 VanDerWaalsContact O-CG 3.3Å; E110-R114 WeakPolarHBondContact O-CG 3.49Å; E110-R114 PolarHBondContact O-N 3.24Å; E110-R114 IonicContact OE2-NH2 3.67Å; T111-R114 PolarHBondContact O-N 3Å; E112-R114 VanDerWaalsContact C-N 3.31Å; E112-R114 PolarHBondContact O-N 2.98Å; R114-L116 PolarHBondContact O-N 2.82Å; R114-L117 PolarHBondContact O-N 3.12Å; R114-L118 WeakPolarHBondContact O-CG 3.43Å; R114-L118 PolarHBondContact O-N 2.99Å |
| 115 | A | 98.3 | Very high | 98.1 | Very high | 46 Ų | 46 | 113.6 Ų | 113.6 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | T111 E112 L118 K119 | T111-A115 WeakPolarHBondContact O-CB 3.4Å; T111-A115 PolarHBondContact O-N 2.93Å; E112-A115 PolarHBondContact O-N 3.12Å; E112-A115 VanDerWaalsContact O-N 3.16Å; A115-L118 PolarHBondContact O-N 3.07Å; A115-K119 WeakPolarHBondContact O-CG 3.35Å; A115-K119 PolarHBondContact O-N 3.04Å |
| 116 | L | 98.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 109.8 Ų | 109.8 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176 | -69 | 176 | 0 | 0 | 0 | 112.1 | E112 R114 K119 K120 | E112-L116 HydrophobicContact CG-CD1 4.16Å; E112-L116 HydrophobicContact CG-CG 4.38Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; E112-L116 PolarHBondContact O-N 3.44Å; R114-L116 PolarHBondContact O-N 2.82Å; L116-K119 PolarHBondContact O-N 3.31Å; L116-K120 WeakPolarHBondContact O-CG 3.48Å; L116-K120 PolarHBondContact O-N 3.4Å |
| 117 | L | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 111.3 Ų | 111.3 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | 175.2 | -177.2 | 66.3 | 0 | 0 | 0 | 111.4 | R113 R114 K119 K120 W121 | R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 PolarHBondContact O-N 3.38Å; R114-L117 PolarHBondContact O-N 3.12Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 2.75Å; L117-K120 PolarHBondContact O-N 3.41Å; L117-W121 WeakPolarHBondContact O-CB 3.42Å; L117-W121 PolarHBondContact O-N 2.94Å |
| 118 | L | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 110.5 Ų | 110.5 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -37.6 | 178.4 | -70.6 | 172.4 | 0 | 0 | 0 | 112.4 | R114 A115 W121 S122 | R114-L118 WeakPolarHBondContact O-CG 3.43Å; R114-L118 PolarHBondContact O-N 2.99Å; A115-L118 PolarHBondContact O-N 3.07Å; L118-W121 PolarHBondContact O-N 3Å; L118-S122 WeakPolarHBondContact O-CB 3.38Å; L118-S122 PolarHBondContact O-N 3.45Å |
| 119 | K | 98.6 | Very high | 98.5 | Very high | 149 Ų | 149 | 108 Ų | 108 | 65% | 0.648 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -47.6 | 173.1 | -73.8 | 178.3 | 180 | -179.1 | 0 | 111.4 | A115 L116 L117 S122 L123 | A115-K119 WeakPolarHBondContact O-CG 3.35Å; A115-K119 PolarHBondContact O-N 3.04Å; L116-K119 PolarHBondContact O-N 3.31Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 2.75Å; K119-S122 PolarHBondContact O-N 3.23Å; K119-L123 PolarHBondContact O-N 3.28Å; K119-L123 VanDerWaalsContact O-N 3.15Å |
| 120 | K | 98.6 | Very high | 98.5 | Very high | 155 Ų | 155 | 105.6 Ų | 105.6 | 67% | 0.674 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 176.7 | -70.2 | 178.2 | -179.1 | -177.5 | 0 | 111.7 | L116 L117 L123 Y124 | L116-K120 WeakPolarHBondContact O-CG 3.48Å; L116-K120 PolarHBondContact O-N 3.4Å; L117-K120 PolarHBondContact O-N 3.41Å; K120-L123 PolarHBondContact O-N 3.02Å; K120-Y124 WeakPolarHBondContact O-CB 3.13Å; K120-Y124 PolarHBondContact O-N 3.33Å |
| 121 | W | 98.7 | Very high | 98.6 | Very high | 139 Ų | 139 | 107.4 Ų | 107.4 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 177.9 | -177.4 | -114.6 | 0 | 0 | 0 | 112.7 | L117 L118 Y124 K125 | L117-W121 WeakPolarHBondContact O-CB 3.42Å; L117-W121 PolarHBondContact O-N 2.94Å; L118-W121 PolarHBondContact O-N 3Å; W121-Y124 AromaticContact CE3-CD1 3.85Å; W121-Y124 HydrophobicContact CE3-CD1 3.85Å; W121-Y124 HydrophobicContact CH2-CD1 4.42Å; W121-Y124 HydrophobicContact CH2-CE1 4.45Å; W121-Y124 AromaticContact CZ3-CD1 3.64Å; W121-Y124 HydrophobicContact CZ3-CD1 3.64Å; W121-Y124 AromaticContact CZ3-CE1 3.87Å; W121-Y124 HydrophobicContact CZ3-CE1 3.87Å; W121-Y124 PolarHBondContact O-N 3.17Å; W121-K125 HydrophobicContact CD2-CG 4.16Å; W121-K125 HydrophobicContact CZ2-CD 4.1Å; W121-K125 HydrophobicContact CZ2-CG 4.05Å; W121-K125 WeakPolarHBondContact O-CB 3.38Å; W121-K125 WeakPolarHBondContact O-CG 3.18Å; W121-K125 PolarHBondContact O-N 3.45Å |
| 122 | S | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 109.8 Ų | 109.8 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59 | -47.6 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | L118 K119 Y124 K125 Q126 | L118-S122 WeakPolarHBondContact O-CB 3.38Å; L118-S122 PolarHBondContact O-N 3.45Å; K119-S122 PolarHBondContact O-N 3.23Å; S122-Y124 PolarHBondContact O-N 3.42Å; S122-K125 PolarHBondContact O-N 3.45Å; S122-Q126 WeakPolarHBondContact O-CB 3.48Å; S122-Q126 PolarHBondContact O-N 3.43Å |
| 123 | L | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 111.6 Ų | 111.6 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 177 | -174 | 155.9 | 0 | 0 | 0 | 111.4 | K119 K120 Q126 Q127 | K119-L123 PolarHBondContact O-N 3.28Å; K119-L123 VanDerWaalsContact O-N 3.15Å; K120-L123 PolarHBondContact O-N 3.02Å; L123-Q126 WeakPolarHBondContact O-CB 3.47Å; L123-Q126 PolarHBondContact O-N 2.89Å; L123-Q127 HydrophobicContact CD2-CG 4.22Å; L123-Q127 VanDerWaalsContact CD2-NE2 3.3Å; L123-Q127 WeakPolarHBondContact O-CG 3.47Å; L123-Q127 PolarHBondContact O-N 3.12Å |
| 124 | Y | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 106 Ų | 106 | 43% | 0.431 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 177.6 | 176.7 | -105.8 | 0 | 0 | 0 | 112.2 | K120 W121 S122 Q126 Q127 E128 | K120-Y124 WeakPolarHBondContact O-CB 3.13Å; K120-Y124 PolarHBondContact O-N 3.33Å; W121-Y124 AromaticContact CE3-CD1 3.85Å; W121-Y124 HydrophobicContact CE3-CD1 3.85Å; W121-Y124 HydrophobicContact CH2-CD1 4.42Å; W121-Y124 HydrophobicContact CH2-CE1 4.45Å; W121-Y124 AromaticContact CZ3-CD1 3.64Å; W121-Y124 HydrophobicContact CZ3-CD1 3.64Å; W121-Y124 AromaticContact CZ3-CE1 3.87Å; W121-Y124 HydrophobicContact CZ3-CE1 3.87Å; W121-Y124 PolarHBondContact O-N 3.17Å; S122-Y124 PolarHBondContact O-N 3.42Å; Y124-Q126 VanDerWaalsContact C-N 3.27Å; Y124-Q126 PolarHBondContact O-N 3.44Å; Y124-Q127 WeakPolarHBondContact O-CB 3.33Å; Y124-Q127 PolarHBondContact O-N 3.03Å; Y124-E128 HydrophobicContact CE1-CG 4.11Å; Y124-E128 VanDerWaalsContact CE1-OE1 3.28Å; Y124-E128 WeakPolarHBondContact CE1-OE1 3.39Å; Y124-E128 HydrophobicContact CE2-CG 4.39Å; Y124-E128 VanDerWaalsContact CZ-OE1 3.25Å; Y124-E128 PolarHBondContact O-N 3.41Å; Y124-E128 PolarHBondContact OH-OE1 2.93Å |
| 125 | K | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 103 Ų | 103 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 177.6 | -75.1 | -73.1 | 164 | -158.1 | 0 | 112.6 | W121 S122 Q127 E128 H129 | W121-K125 HydrophobicContact CD2-CG 4.16Å; W121-K125 HydrophobicContact CZ2-CD 4.1Å; W121-K125 HydrophobicContact CZ2-CG 4.05Å; W121-K125 WeakPolarHBondContact O-CB 3.38Å; W121-K125 WeakPolarHBondContact O-CG 3.18Å; W121-K125 PolarHBondContact O-N 3.45Å; S122-K125 PolarHBondContact O-N 3.45Å; K125-Q127 VanDerWaalsContact C-N 3.34Å; K125-E128 VanDerWaalsContact CD-OE2 3.3Å; K125-E128 WeakPolarHBondContact CD-OE2 3.37Å; K125-E128 VanDerWaalsContact CE-OE2 3.29Å; K125-E128 WeakPolarHBondContact CE-OE2 3.35Å; K125-E128 IonicContact NZ-OE1 3.94Å; K125-E128 IonicContact NZ-OE2 4Å; K125-E128 PolarHBondContact NZ-OE2 3.33Å; K125-H129 WeakPolarHBondContact O-CB 3.48Å; K125-H129 PolarHBondContact O-N 2.95Å |
| 126 | Q | 98.7 | Very high | 98.7 | Very high | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 172.5 | -171.2 | -171.3 | 18.8 | 0 | 0 | 111.6 | S122 L123 Y124 K130 | S122-Q126 WeakPolarHBondContact O-CB 3.48Å; S122-Q126 PolarHBondContact O-N 3.43Å; L123-Q126 WeakPolarHBondContact O-CB 3.47Å; L123-Q126 PolarHBondContact O-N 2.89Å; Y124-Q126 VanDerWaalsContact C-N 3.27Å; Y124-Q126 PolarHBondContact O-N 3.44Å; Q126-K130 WeakPolarHBondContact O-CG 3.39Å; Q126-K130 PolarHBondContact O-N 3.46Å |
| 127 | Q | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -47.8 | 176.9 | -71.7 | 176.6 | -12.5 | 0 | 0 | 111.5 | L123 Y124 K125 H129 K130 M131 | L123-Q127 HydrophobicContact CD2-CG 4.22Å; L123-Q127 VanDerWaalsContact CD2-NE2 3.3Å; L123-Q127 WeakPolarHBondContact O-CG 3.47Å; L123-Q127 PolarHBondContact O-N 3.12Å; Y124-Q127 WeakPolarHBondContact O-CB 3.33Å; Y124-Q127 PolarHBondContact O-N 3.03Å; K125-Q127 VanDerWaalsContact C-N 3.34Å; Q127-H129 VanDerWaalsContact C-N 3.3Å; Q127-H129 PolarHBondContact O-N 2.89Å; Q127-K130 PolarHBondContact O-N 3.47Å; Q127-K130 VanDerWaalsContact O-N 3.16Å; Q127-M131 WeakPolarHBondContact O-CG 3.38Å; Q127-M131 PolarHBondContact O-N 3.41Å |
| 128 | E | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 104.8 Ų | 104.8 | 29% | 0.285 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 174.8 | -72.8 | -174.5 | 141.9 | 0 | 0 | 111.4 | Y124 K125 K130 M131 E132 | Y124-E128 HydrophobicContact CE1-CG 4.11Å; Y124-E128 VanDerWaalsContact CE1-OE1 3.28Å; Y124-E128 WeakPolarHBondContact CE1-OE1 3.39Å; Y124-E128 HydrophobicContact CE2-CG 4.39Å; Y124-E128 VanDerWaalsContact CZ-OE1 3.25Å; Y124-E128 PolarHBondContact O-N 3.41Å; Y124-E128 PolarHBondContact OH-OE1 2.93Å; K125-E128 VanDerWaalsContact CD-OE2 3.3Å; K125-E128 WeakPolarHBondContact CD-OE2 3.37Å; K125-E128 VanDerWaalsContact CE-OE2 3.29Å; K125-E128 WeakPolarHBondContact CE-OE2 3.35Å; K125-E128 IonicContact NZ-OE1 3.94Å; K125-E128 IonicContact NZ-OE2 4Å; K125-E128 PolarHBondContact NZ-OE2 3.33Å; E128-K130 VanDerWaalsContact C-N 3.34Å; E128-K130 PolarHBondContact O-N 3.21Å; E128-M131 PolarHBondContact O-N 3.44Å; E128-E132 WeakPolarHBondContact O-CG 3.23Å; E128-E132 PolarHBondContact O-N 3.12Å |
| 129 | H | 98.7 | Very high | 98.7 | Very high | 100 Ų | 100 | 105.9 Ų | 105.9 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 179.6 | -174.2 | 59.2 | 0 | 0 | 0 | 113.2 | K125 Q127 R133 | K125-H129 WeakPolarHBondContact O-CB 3.48Å; K125-H129 PolarHBondContact O-N 2.95Å; Q127-H129 VanDerWaalsContact C-N 3.3Å; Q127-H129 PolarHBondContact O-N 2.89Å; H129-R133 VanDerWaalsContact NE2-CD 3.28Å; H129-R133 WeakPolarHBondContact NE2-CD 3.28Å; H129-R133 WeakPolarHBondContact O-CB 3.29Å; H129-R133 VanDerWaalsContact O-CG 3.26Å; H129-R133 WeakPolarHBondContact O-CG 3.37Å; H129-R133 PolarHBondContact O-N 2.83Å |
| 130 | K | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 102.7 Ų | 102.7 | 47% | 0.47 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 173.8 | -77.2 | 174.6 | 179.6 | 179.4 | 0 | 110.7 | Q126 Q127 E128 E132 R133 D134 | Q126-K130 WeakPolarHBondContact O-CG 3.39Å; Q126-K130 PolarHBondContact O-N 3.46Å; Q127-K130 PolarHBondContact O-N 3.47Å; Q127-K130 VanDerWaalsContact O-N 3.16Å; E128-K130 VanDerWaalsContact C-N 3.34Å; E128-K130 PolarHBondContact O-N 3.21Å; K130-E132 PolarHBondContact O-N 2.67Å; K130-R133 PolarHBondContact O-N 2.85Å; K130-D134 VanDerWaalsContact O-CG 3.3Å; K130-D134 PolarHBondContact O-N 3.03Å |
| 131 | M | 98.7 | Very high | 98.7 | Very high | 126 Ų | 126 | 99.8 Ų | 99.8 | 62% | 0.621 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 177.7 | -64.9 | -57.3 | -62.6 | 0 | 0 | 111.7 | Q127 E128 R133 D134 T135 | Q127-M131 WeakPolarHBondContact O-CG 3.38Å; Q127-M131 PolarHBondContact O-N 3.41Å; E128-M131 PolarHBondContact O-N 3.44Å; M131-R133 VanDerWaalsContact C-N 3.33Å; M131-R133 PolarHBondContact O-N 3.46Å; M131-D134 PolarHBondContact O-N 3.48Å; M131-T135 WeakPolarHBondContact O-CG2 3.45Å; M131-T135 PolarHBondContact O-N 2.88Å; M131-T135 PolarHBondContact O-OG1 2.93Å |
| 132 | E | 98.6 | Very high | 98.7 | Very high | 111 Ų | 111 | 95.8 Ų | 95.8 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 175.7 | -71.9 | 174.8 | 174.4 | 0 | 0 | 112.6 | E128 K130 T135 I136 | E128-E132 WeakPolarHBondContact O-CG 3.23Å; E128-E132 PolarHBondContact O-N 3.12Å; K130-E132 PolarHBondContact O-N 2.67Å; E132-T135 WeakPolarHBondContact CA-OG1 3.43Å; E132-T135 PolarHBondContact O-OG1 2.93Å; E132-I136 WeakPolarHBondContact O-CB 3.41Å; E132-I136 WeakPolarHBondContact O-CD1 3.47Å; E132-I136 WeakPolarHBondContact O-CG1 3.43Å; E132-I136 PolarHBondContact O-N 3.3Å |
| 133 | R | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 98 Ų | 98 | 50% | 0.502 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.9 | -78.3 | 174.7 | 52.5 | 98 | 9.3 | 112.2 | H129 K130 M131 I136 R137 | H129-R133 VanDerWaalsContact NE2-CD 3.28Å; H129-R133 WeakPolarHBondContact NE2-CD 3.28Å; H129-R133 WeakPolarHBondContact O-CB 3.29Å; H129-R133 VanDerWaalsContact O-CG 3.26Å; H129-R133 WeakPolarHBondContact O-CG 3.37Å; H129-R133 PolarHBondContact O-N 2.83Å; K130-R133 PolarHBondContact O-N 2.85Å; M131-R133 VanDerWaalsContact C-N 3.33Å; M131-R133 PolarHBondContact O-N 3.46Å; R133-I136 PolarHBondContact O-N 3.23Å; R133-R137 WeakPolarHBondContact O-CB 3.44Å; R133-R137 PolarHBondContact O-N 2.97Å |
| 134 | D | 98.7 | Very high | 98.6 | Very high | 75 Ų | 75 | 98.7 Ų | 98.7 | 40% | 0.401 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.5 | -36 | -178.6 | -67.5 | -28.5 | 0 | 0 | 0 | 110.9 | K130 M131 R137 A138 | K130-D134 VanDerWaalsContact O-CG 3.3Å; K130-D134 PolarHBondContact O-N 3.03Å; M131-D134 PolarHBondContact O-N 3.48Å; D134-R137 PolarHBondContact O-N 3.43Å; D134-R137 IonicContact OD1-CZ 2.83Å; D134-R137 IonicContact OD1-NH1 2.85Å; D134-R137 PolarHBondContact OD1-NH1 2.92Å; D134-A138 WeakPolarHBondContact O-CB 3.2Å; D134-A138 PolarHBondContact O-N 3.4Å |
| 135 | T | 98.7 | Very high | 98.6 | Very high | 69 Ų | 69 | 99.4 Ų | 99.4 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 172.5 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | M131 E132 R137 A138 M139 | M131-T135 WeakPolarHBondContact O-CG2 3.45Å; M131-T135 PolarHBondContact O-N 2.88Å; M131-T135 PolarHBondContact O-OG1 2.93Å; E132-T135 WeakPolarHBondContact CA-OG1 3.43Å; E132-T135 PolarHBondContact O-OG1 2.93Å; T135-R137 VanDerWaalsContact C-N 3.32Å; T135-R137 PolarHBondContact O-N 3.23Å; T135-A138 PolarHBondContact O-N 2.94Å; T135-M139 VanDerWaalsContact O-CG 3.28Å; T135-M139 WeakPolarHBondContact O-CG 3.44Å; T135-M139 PolarHBondContact O-N 3.5Å |
| 136 | I | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 97.8 Ų | 97.8 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 175.2 | -69.1 | 165.4 | 0 | 0 | 0 | 110.7 | E132 R133 M139 L140 | E132-I136 WeakPolarHBondContact O-CB 3.41Å; E132-I136 WeakPolarHBondContact O-CD1 3.47Å; E132-I136 WeakPolarHBondContact O-CG1 3.43Å; E132-I136 PolarHBondContact O-N 3.3Å; R133-I136 PolarHBondContact O-N 3.23Å; I136-M139 PolarHBondContact O-N 3.27Å; I136-L140 WeakPolarHBondContact O-CB 3.32Å; I136-L140 PolarHBondContact O-N 3Å |
| 137 | R | 98.7 | Very high | 98.5 | Very high | 117 Ų | 117 | 95.3 Ų | 95.3 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.9 | -51.6 | 176.2 | -178.4 | -172.6 | -63.8 | 129.4 | 1.5 | 110.7 | R133 D134 T135 M139 L140 E141 | R133-R137 WeakPolarHBondContact O-CB 3.44Å; R133-R137 PolarHBondContact O-N 2.97Å; D134-R137 PolarHBondContact O-N 3.43Å; D134-R137 IonicContact OD1-CZ 2.83Å; D134-R137 IonicContact OD1-NH1 2.85Å; D134-R137 PolarHBondContact OD1-NH1 2.92Å; T135-R137 VanDerWaalsContact C-N 3.32Å; T135-R137 PolarHBondContact O-N 3.23Å; R137-M139 VanDerWaalsContact C-N 3.34Å; R137-M139 PolarHBondContact O-N 3.29Å; R137-L140 PolarHBondContact O-N 3.37Å; R137-L140 VanDerWaalsContact O-N 3.12Å; R137-E141 WeakPolarHBondContact CD-OE1 3.28Å; R137-E141 HydrophobicContact CG-CG 4.33Å; R137-E141 WeakPolarHBondContact CG-OE1 3.43Å; R137-E141 WeakPolarHBondContact O-CG 3.22Å; R137-E141 PolarHBondContact O-N 3.48Å |
| 138 | A | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 96.6 Ų | 96.6 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D134 T135 L140 A142 | D134-A138 WeakPolarHBondContact O-CB 3.2Å; D134-A138 PolarHBondContact O-N 3.4Å; T135-A138 PolarHBondContact O-N 2.94Å; A138-L140 VanDerWaalsContact C-N 3.3Å; A138-L140 PolarHBondContact O-N 3.01Å; A138-A142 WeakPolarHBondContact O-CB 3.26Å; A138-A142 PolarHBondContact O-N 3.38Å |
| 139 | M | 98.6 | Very high | 98.4 | Very high | 138 Ų | 138 | 99.6 Ų | 99.6 | 68% | 0.68 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -39.2 | 175.1 | -72.4 | 177.8 | -178.2 | 0 | 0 | 112.2 | T135 I136 R137 Q143 | T135-M139 VanDerWaalsContact O-CG 3.28Å; T135-M139 WeakPolarHBondContact O-CG 3.44Å; T135-M139 PolarHBondContact O-N 3.5Å; I136-M139 PolarHBondContact O-N 3.27Å; R137-M139 VanDerWaalsContact C-N 3.34Å; R137-M139 PolarHBondContact O-N 3.29Å; M139-Q143 WeakPolarHBondContact O-CB 3.37Å; M139-Q143 PolarHBondContact O-N 3.44Å |
| 140 | L | 98.6 | Very high | 98.4 | Very high | 82 Ų | 82 | 96.9 Ų | 96.9 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.2 | -42.4 | -179.4 | -174.7 | 152.1 | 0 | 0 | 0 | 111.9 | I136 R137 A138 Q143 Q144 | I136-L140 WeakPolarHBondContact O-CB 3.32Å; I136-L140 PolarHBondContact O-N 3Å; R137-L140 PolarHBondContact O-N 3.37Å; R137-L140 VanDerWaalsContact O-N 3.12Å; A138-L140 VanDerWaalsContact C-N 3.3Å; A138-L140 PolarHBondContact O-N 3.01Å; L140-Q143 PolarHBondContact O-N 3.16Å; L140-Q144 HydrophobicContact CD2-CG 4.28Å; L140-Q144 VanDerWaalsContact CD2-NE2 3.29Å; L140-Q144 WeakPolarHBondContact O-CG 3.28Å; L140-Q144 PolarHBondContact O-N 2.65Å |
| 141 | E | 98.6 | Very high | 98.2 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.3 | -73.3 | 170 | -179.5 | 0 | 0 | 110.4 | R137 Q143 Q144 E145 | R137-E141 WeakPolarHBondContact CD-OE1 3.28Å; R137-E141 HydrophobicContact CG-CG 4.33Å; R137-E141 WeakPolarHBondContact CG-OE1 3.43Å; R137-E141 WeakPolarHBondContact O-CG 3.22Å; R137-E141 PolarHBondContact O-N 3.48Å; E141-Q143 VanDerWaalsContact C-N 3.31Å; E141-Q143 PolarHBondContact O-N 2.78Å; E141-Q144 WeakPolarHBondContact O-CB 3.41Å; E141-Q144 PolarHBondContact O-N 2.97Å; E141-E145 WeakPolarHBondContact O-CG 3.33Å; E141-E145 PolarHBondContact O-N 2.97Å |
| 142 | A | 98.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 101 Ų | 101 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A138 Q144 A146 | A138-A142 WeakPolarHBondContact O-CB 3.26Å; A138-A142 PolarHBondContact O-N 3.38Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.37Å; A142-A146 PolarHBondContact O-N 2.99Å; A142-A146 VanDerWaalsContact O-N 3.07Å |
| 143 | Q | 98.2 | Very high | 98.1 | Very high | 127 Ų | 127 | 103.2 Ų | 103.2 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 174.8 | -175.7 | -176.7 | 19.5 | 0 | 0 | 111.8 | M139 L140 E141 L147 | M139-Q143 WeakPolarHBondContact O-CB 3.37Å; M139-Q143 PolarHBondContact O-N 3.44Å; L140-Q143 PolarHBondContact O-N 3.16Å; E141-Q143 VanDerWaalsContact C-N 3.31Å; E141-Q143 PolarHBondContact O-N 2.78Å; Q143-L147 HydrophobicContact CG-CD1 4.36Å; Q143-L147 VanDerWaalsContact O-CG 3.31Å; Q143-L147 WeakPolarHBondContact O-CG 3.14Å; Q143-L147 PolarHBondContact O-N 3.48Å |
| 144 | Q | 97.9 | Very high | 98 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -49 | 179.3 | -73.8 | 177.2 | -11.5 | 0 | 0 | 111.5 | L140 E141 A142 A146 L147 E148 | L140-Q144 HydrophobicContact CD2-CG 4.28Å; L140-Q144 VanDerWaalsContact CD2-NE2 3.29Å; L140-Q144 WeakPolarHBondContact O-CG 3.28Å; L140-Q144 PolarHBondContact O-N 2.65Å; E141-Q144 WeakPolarHBondContact O-CB 3.41Å; E141-Q144 PolarHBondContact O-N 2.97Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.18Å; Q144-L147 PolarHBondContact O-N 3.32Å; Q144-L147 VanDerWaalsContact O-N 3.07Å; Q144-E148 WeakPolarHBondContact O-CG 3.3Å; Q144-E148 PolarHBondContact O-N 3.05Å |
| 145 | E | 98.2 | Very high | 97.9 | Very high | 124 Ų | 124 | 99.1 Ų | 99.1 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -55.6 | -48 | 176.8 | -70.5 | 176.9 | 175.4 | 0 | 0 | 110.9 | E141 L147 E148 E149 | E141-E145 WeakPolarHBondContact O-CG 3.33Å; E141-E145 PolarHBondContact O-N 2.97Å; E145-L147 VanDerWaalsContact C-N 3.28Å; E145-L147 PolarHBondContact O-N 3.03Å; E145-E148 PolarHBondContact O-N 2.93Å; E145-E148 VanDerWaalsContact O-N 3.13Å; E145-E149 WeakPolarHBondContact O-CG 3.5Å; E145-E149 PolarHBondContact O-N 3.34Å |
| 146 | A | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A142 Q144 L150 | A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.37Å; A142-A146 PolarHBondContact O-N 2.99Å; A142-A146 VanDerWaalsContact O-N 3.07Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.18Å; A146-L150 VanDerWaalsContact O-CB 3.26Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 3.05Å |
| 147 | L | 97.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 103.1 Ų | 103.1 | 28% | 0.283 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.5 | -35.6 | 176.2 | -74.1 | 172.5 | 0 | 0 | 0 | 112.3 | Q143 Q144 E145 L150 R151 H158 A161 | Q143-L147 HydrophobicContact CG-CD1 4.36Å; Q143-L147 VanDerWaalsContact O-CG 3.31Å; Q143-L147 WeakPolarHBondContact O-CG 3.14Å; Q143-L147 PolarHBondContact O-N 3.48Å; Q144-L147 PolarHBondContact O-N 3.32Å; Q144-L147 VanDerWaalsContact O-N 3.07Å; E145-L147 VanDerWaalsContact C-N 3.28Å; E145-L147 PolarHBondContact O-N 3.03Å; L147-L150 HydrophobicContact CD2-CD2 4.5Å; L147-R151 WeakPolarHBondContact O-CB 3.39Å; L147-R151 PolarHBondContact O-N 3.02Å; L147-H158 PolarHBondContact O-CD2 2.93Å; L147-A161 HydrophobicContact CD2-CB 4.37Å |
| 148 | E | 97.5 | Very high | 97.7 | Very high | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 174.7 | -70.9 | -174.2 | 174.3 | 0 | 0 | 111.3 | Q144 E145 R151 L152 | Q144-E148 WeakPolarHBondContact O-CG 3.3Å; Q144-E148 PolarHBondContact O-N 3.05Å; E145-E148 PolarHBondContact O-N 2.93Å; E145-E148 VanDerWaalsContact O-N 3.13Å; E148-R151 WeakPolarHBondContact O-CB 3.43Å; E148-R151 PolarHBondContact O-N 3.03Å; E148-L152 WeakPolarHBondContact O-CG 3.29Å; E148-L152 PolarHBondContact O-N 3.47Å |
| 149 | E | 97.6 | Very high | 97.6 | Very high | 123 Ų | 123 | 99.1 Ų | 99.1 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.4 | -48.8 | 173.8 | -70.2 | -177.5 | 167.5 | 0 | 0 | 111.4 | E145 R151 L152 E153 | E145-E149 WeakPolarHBondContact O-CG 3.5Å; E145-E149 PolarHBondContact O-N 3.34Å; E149-R151 PolarHBondContact O-N 3.07Å; E149-L152 PolarHBondContact O-N 3.3Å; E149-E153 PolarHBondContact O-N 2.89Å |
| 150 | L | 97.9 | Very high | 97.5 | Very high | 44 Ų | 44 | 98.1 Ų | 98.1 | 23% | 0.23 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -58 | -34.4 | 177.6 | -175.5 | 68.1 | 0 | 0 | 0 | 112.2 | A146 L147 S154 L157 H158 A161 | A146-L150 VanDerWaalsContact O-CB 3.26Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 3.05Å; L147-L150 HydrophobicContact CD2-CD2 4.5Å; L150-S154 CarbonylContact O-C 3.4Å; L150-S154 PolarHBondContact O-N 3.41Å; L150-S154 VanDerWaalsContact O-O 3.12Å; L150-L157 HydrophobicContact CD1-CB 4.15Å; L150-L157 HydrophobicContact CD1-CD1 4.48Å; L150-H158 HydrophobicContact CD2-CB 4.37Å; L150-H158 HydrophobicContact CG-CB 4.32Å; L150-A161 HydrophobicContact CD2-CB 4.01Å |
| 151 | R | 96.6 | Very high | 97.4 | Very high | 163 Ų | 163 | 97 Ų | 97 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68 | -38.2 | 177.6 | -172.2 | 179 | 177.6 | 178.7 | -1.2 | 112.2 | L147 E148 E149 H158 | L147-R151 WeakPolarHBondContact O-CB 3.39Å; L147-R151 PolarHBondContact O-N 3.02Å; E148-R151 WeakPolarHBondContact O-CB 3.43Å; E148-R151 PolarHBondContact O-N 3.03Å; E149-R151 PolarHBondContact O-N 3.07Å; R151-H158 HydrophobicContact CB-CB 4.41Å |
| 152 | L | 96.9 | Very high | 97.3 | Very high | 156 Ų | 156 | 97.5 Ų | 97.5 | 82% | 0.817 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.5 | -38.6 | 177.4 | -66.3 | 173.3 | 0 | 0 | 0 | 111.2 | E148 E149 | E148-L152 WeakPolarHBondContact O-CG 3.29Å; E148-L152 PolarHBondContact O-N 3.47Å; E149-L152 PolarHBondContact O-N 3.3Å |
| 153 | E | 97.2 | Very high | 97.2 | Very high | 158 Ų | 158 | 101.8 Ų | 101.8 | 74% | 0.738 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.8 | -48.2 | 179.2 | -66.9 | -175.5 | 171.6 | 0 | 0 | 113.2 | E149 | E149-E153 PolarHBondContact O-N 2.89Å |
| 154 | S | 97.1 | Very high | 97 | Very high | 32 Ų | 32 | 107.2 Ų | 107.2 | 22% | 0.224 | 53% | 0.531 | C | S | . | . | trans | -150.7 | 101.6 | -174.4 | -176.4 | 0 | 0 | 0 | 0 | 113.1 | L150 K156 L157 H158 | L150-S154 CarbonylContact O-C 3.4Å; L150-S154 PolarHBondContact O-N 3.41Å; L150-S154 VanDerWaalsContact O-O 3.12Å; S154-K156 PolarHBondContact O-N 3.46Å; S154-L157 PolarHBondContact O-N 2.89Å; S154-H158 PolarHBondContact O-N 3.38Å | ||
| 155 | P | 96 | Very high | 97 | Very high | 91 Ų | 91 | 106.7 Ų | 106.7 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.5 | -23.8 | -179.5 | 26.1 | -34.6 | 0 | 0 | 0 | 113.2 | A159 | P155-A159 WeakPolarHBondContact O-CB 3.42Å; P155-A159 PolarHBondContact O-N 3.26Å; P155-A159 VanDerWaalsContact O-N 3.15Å |
| 156 | K | 97.2 | Very high | 96.8 | Very high | 169 Ų | 169 | 105.9 Ų | 105.9 | 74% | 0.735 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.7 | -47.3 | 178 | -69.2 | -179.2 | -179.2 | 176 | 0 | 111.5 | S154 A159 E160 | S154-K156 PolarHBondContact O-N 3.46Å; K156-A159 PolarHBondContact O-N 2.84Å; K156-E160 PolarHBondContact O-N 3.36Å |
| 157 | L | 97.3 | Very high | 96.6 | Very high | 92 Ų | 92 | 109.7 Ų | 109.7 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 179.3 | -67.4 | 177.7 | 0 | 0 | 0 | 111.3 | L150 S154 A159 E160 A161 | L150-L157 HydrophobicContact CD1-CB 4.15Å; L150-L157 HydrophobicContact CD1-CD1 4.48Å; S154-L157 PolarHBondContact O-N 2.89Å; L157-A159 VanDerWaalsContact C-N 3.29Å; L157-A159 PolarHBondContact O-N 3.42Å; L157-E160 PolarHBondContact O-N 3.15Å; L157-A161 WeakPolarHBondContact O-CB 3.33Å; L157-A161 PolarHBondContact O-N 3.31Å |
| 158 | H | 97.5 | Very high | 96.5 | Very high | 32 Ų | 32 | 111.7 Ų | 111.7 | 15% | 0.148 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -56.9 | -42.1 | 173.4 | 173.7 | -92.2 | 0 | 0 | 0 | 112.3 | L147 L150 R151 S154 E160 A161 I162 | L147-H158 PolarHBondContact O-CD2 2.93Å; L150-H158 HydrophobicContact CD2-CB 4.37Å; L150-H158 HydrophobicContact CG-CB 4.32Å; R151-H158 HydrophobicContact CB-CB 4.41Å; S154-H158 PolarHBondContact O-N 3.38Å; H158-E160 PolarHBondContact O-N 3.29Å; H158-A161 PolarHBondContact O-N 3.17Å; H158-I162 WeakPolarHBondContact CE1-CD1 3.44Å; H158-I162 WeakPolarHBondContact NE2-CD1 3.43Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.99Å |
| 159 | A | 96.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 113.2 Ų | 113.2 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.5 | -25.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P155 K156 L157 K163 | P155-A159 WeakPolarHBondContact O-CB 3.42Å; P155-A159 PolarHBondContact O-N 3.26Å; P155-A159 VanDerWaalsContact O-N 3.15Å; K156-A159 PolarHBondContact O-N 2.84Å; L157-A159 VanDerWaalsContact C-N 3.29Å; L157-A159 PolarHBondContact O-N 3.42Å; A159-K163 WeakPolarHBondContact O-CE 3.45Å; A159-K163 WeakPolarHBondContact O-CG 3.36Å |
| 160 | E | 96.4 | Very high | 96.2 | Very high | 117 Ų | 117 | 112.9 Ų | 112.9 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -82.2 | -44.1 | 173.4 | -68.7 | 179.6 | 173 | 0 | 0 | 111.9 | K156 L157 H158 I162 K163 | K156-E160 PolarHBondContact O-N 3.36Å; L157-E160 PolarHBondContact O-N 3.15Å; H158-E160 PolarHBondContact O-N 3.29Å; E160-I162 VanDerWaalsContact C-N 3.27Å; E160-I162 PolarHBondContact O-N 3.12Å; E160-K163 VanDerWaalsContact O-CB 3.29Å; E160-K163 WeakPolarHBondContact O-CB 3.38Å; E160-K163 PolarHBondContact O-N 3.44Å |
| 161 | A | 96.3 | Very high | 96.2 | Very high | 59 Ų | 59 | 117.5 Ų | 117.5 | 49% | 0.488 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.5 | -31 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L147 L150 L157 H158 K163 | L147-A161 HydrophobicContact CD2-CB 4.37Å; L150-A161 HydrophobicContact CD2-CB 4.01Å; L157-A161 WeakPolarHBondContact O-CB 3.33Å; L157-A161 PolarHBondContact O-N 3.31Å; H158-A161 PolarHBondContact O-N 3.17Å; A161-K163 VanDerWaalsContact C-N 3.27Å; A161-K163 PolarHBondContact O-N 3.35Å |
| 162 | I | 96.2 | Very high | 96.1 | Very high | 105 Ų | 105 | 117.9 Ų | 117.9 | 54% | 0.538 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -20.1 | 177.1 | -70.1 | 171.8 | 0 | 0 | 0 | 112.4 | H158 E160 | H158-I162 WeakPolarHBondContact CE1-CD1 3.44Å; H158-I162 WeakPolarHBondContact NE2-CD1 3.43Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.99Å; E160-I162 VanDerWaalsContact C-N 3.27Å; E160-I162 PolarHBondContact O-N 3.12Å |
| 163 | K | 96.4 | Very high | 96.1 | Very high | 144 Ų | 144 | 120.8 Ų | 120.8 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -66.6 | 140.9 | -179.6 | -63.9 | 172.1 | -174.4 | 165.7 | 0 | 109.5 | A159 E160 A161 | A159-K163 WeakPolarHBondContact O-CE 3.45Å; A159-K163 WeakPolarHBondContact O-CG 3.36Å; E160-K163 VanDerWaalsContact O-CB 3.29Å; E160-K163 WeakPolarHBondContact O-CB 3.38Å; E160-K163 PolarHBondContact O-N 3.44Å; A161-K163 VanDerWaalsContact C-N 3.27Å; A161-K163 PolarHBondContact O-N 3.35Å |
| 164 | R | 95.4 | Very high | 96.1 | Very high | 241 Ų | 241 | 121.8 Ų | 121.8 | 91% | 0.909 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 135.1 | 174.3 | -62.6 | 179.7 | -178.7 | 175.4 | -1.1 | 109.5 | P166 | R164-P166 WeakPolarHBondContact O-CD 3.29Š|
| 165 | D | 96.1 | Very high | 96 | Very high | 94 Ų | 94 | 123 Ų | 123 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 119.7 | 171.9 | -173.4 | -0.9 | 0 | 0 | 0 | 109.9 | N167 L168 | D165-N167 PolarHBondContact O-N 2.98Å; D165-N167 WeakPolarHBondContact OD1-CB 3.34Å; D165-N167 PolarHBondContact OD1-N 3.01Å; D165-N167 PolarHBondContact OD1-ND2 3.49Å; D165-N167 VanDerWaalsContact OD1-ND2 3.1Å; D165-L168 PolarHBondContact O-N 2.95Å |
| 166 | P | 94.4 | Very high | 96 | Very high | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -63.7 | -21.9 | 174.4 | 26.9 | -35.5 | 0 | 0 | 0 | 113.1 | R164 L168 | R164-P166 WeakPolarHBondContact O-CD 3.29Å; P166-L168 PolarHBondContact O-N 3.28Å |
| 167 | N | 95.1 | Very high | 96 | Very high | 135 Ų | 135 | 122 Ų | 122 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -77.6 | -7.4 | -178.5 | -56.5 | -44.5 | 0 | 0 | 0 | 113.4 | D165 F169 | D165-N167 PolarHBondContact O-N 2.98Å; D165-N167 WeakPolarHBondContact OD1-CB 3.34Å; D165-N167 PolarHBondContact OD1-N 3.01Å; D165-N167 PolarHBondContact OD1-ND2 3.49Å; D165-N167 VanDerWaalsContact OD1-ND2 3.1Å; N167-F169 PolarHBondContact O-N 3.06Å |
| 168 | L | 95.2 | Very high | 95.9 | Very high | 97 Ų | 97 | 129.2 Ų | 129.2 | 51% | 0.508 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -67 | -24.4 | 179 | -174.4 | 61.6 | 0 | 0 | 0 | 112.6 | D165 P166 F171 | D165-L168 PolarHBondContact O-N 2.95Å; P166-L168 PolarHBondContact O-N 3.28Å; L168-F171 VanDerWaalsContact O-CB 3.29Å; L168-F171 WeakPolarHBondContact O-CB 3.3Å; L168-F171 PolarHBondContact O-N 3.39Å |
| 169 | F | 94.3 | Very high | 95.9 | Very high | 164 Ų | 164 | 132.9 Ų | 132.9 | 72% | 0.719 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -122.3 | 131 | 179 | -67.9 | -76 | 0 | 0 | 0 | 110.8 | N167 | N167-F169 PolarHBondContact O-N 3.06Š|
| 170 | P | 94.8 | Very high | 95.8 | Very high | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -82 | 128.3 | 3.1 | 31.9 | -33.2 | 0 | 0 | 0 | 113.5 | ||
| 171 | F | 96.5 | Very high | 95.8 | Very high | 141 Ų | 141 | 135.9 Ų | 135.9 | 62% | 0.618 | 71% | 0.708 | S | S | * | * | trans | -94.2 | 123.1 | 173.2 | 175.1 | -103.7 | 0 | 0 | 0 | 110.6 | L168 R173 | L168-F171 VanDerWaalsContact O-CB 3.29Å; L168-F171 WeakPolarHBondContact O-CB 3.3Å; L168-F171 PolarHBondContact O-N 3.39Å; F171-R173 HydrophobicContact CE1-CB 3.94Å; F171-R173 HydrophobicContact CZ-CB 3.91Å | ||
| 172 | E | 96.3 | Very high | 95.8 | Very high | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | -120.9 | 135 | 177.8 | -66.3 | -179 | -176.4 | 0 | 0 | 110.4 | ||||
| 173 | R | 96.6 | Very high | 95.8 | Very high | 216 Ų | 216 | 139.3 Ų | 139.3 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | trans | -149.1 | 124.7 | 175.4 | -179.4 | 170.5 | -178.9 | 167 | 1.5 | 110 | F171 | F171-R173 HydrophobicContact CE1-CB 3.94Å; F171-R173 HydrophobicContact CZ-CB 3.91Å | ||
| 174 | E | 96.1 | Very high | 95.8 | Very high | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 147 | 171.8 | -62.7 | -175.7 | 171.9 | 0 | 0 | 110.8 | ||
| 175 | G | 95.4 | Very high | 95.8 | Very high | 57 Ų | 57 | 136.3 Ų | 136.3 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 163.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 176 | P | 96.9 | Very high | 95.8 | Very high | 137 Ų | 137 | 140.1 Ų | 140.1 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.9 | 176.1 | 28.3 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 177 | C | 95.6 | Very high | 95.8 | Very high | 103 Ų | 103 | 139.4 Ų | 139.4 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 152.6 | 171.1 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | T179 | C177-T179 VanDerWaalsContact C-N 3.31Å; C177-T179 WeakPolarHBondContact CB-O 3.39Å; C177-T179 PolarHBondContact O-N 3.49Å |
| 178 | Y | 96.1 | Very high | 95.9 | Very high | 243 Ų | 243 | 138.4 Ų | 138.4 | 95% | 0.953 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -62.8 | -38 | 173.8 | -71 | -79.6 | 0 | 0 | 0 | 112.5 | ||
| 179 | T | 96.4 | Very high | 95.9 | Very high | 109 Ų | 109 | 143.3 Ų | 143.3 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -130.9 | 143.5 | 176.8 | 50 | 0 | 0 | 0 | 0 | 110 | C177 | C177-T179 VanDerWaalsContact C-N 3.31Å; C177-T179 WeakPolarHBondContact CB-O 3.39Å; C177-T179 PolarHBondContact O-N 3.49Å |
| 180 | P | 96.1 | Very high | 96 | Very high | 107 Ų | 107 | 139.1 Ų | 139.1 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 160 | 175.2 | 29.8 | -34.6 | 0 | 0 | 0 | 111.4 | ||
| 181 | P | 96 | Very high | 96 | Very high | 129 Ų | 129 | 143.7 Ų | 143.7 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 139.9 | 177.5 | -23 | 33.9 | 0 | 0 | 0 | 112.6 | ||
| 182 | I | 96.3 | Very high | 96 | Very high | 127 Ų | 127 | 147 Ų | 147 | 65% | 0.651 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 127.9 | 173.7 | -58.5 | 172.4 | 0 | 0 | 0 | 108.5 | ||
| 183 | P | 96.2 | Very high | 96 | Very high | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 140.2 | 177.4 | 26.7 | -33.6 | 0 | 0 | 0 | 111 | Y185 | P183-Y185 PolarHBondContact O-N 3.37Š|
| 184 | N | 95.2 | Very high | 96 | Very high | 163 Ų | 163 | 137.8 Ų | 137.8 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.4 | 23.7 | 178.5 | -54.4 | -33.6 | 0 | 0 | 0 | 115.6 | Q186 | N184-Q186 PolarHBondContact O-N 2.98Š|
| 185 | Y | 96.6 | Very high | 96 | Very high | 158 Ų | 158 | 135.2 Ų | 135.2 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | trans | -67.4 | 124.2 | 171.4 | 179.3 | -108.8 | 0 | 0 | 0 | 110.8 | P183 P187 | P183-Y185 PolarHBondContact O-N 3.37Å; Y185-P187 HydrophobicContact CD1-CB 4.49Å; Y185-P187 HydrophobicContact CE1-CB 3.92Å; Y185-P187 WeakPolarHBondContact O-CD 3.41Å | ||
| 186 | Q | 95.6 | Very high | 96 | Very high | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -100.4 | 106 | 174.8 | -67.4 | -176.9 | -4.6 | 0 | 0 | 109.1 | N184 | N184-Q186 PolarHBondContact O-N 2.98Š| ||
| 187 | P | 95.3 | Very high | 95.9 | Very high | 91 Ų | 91 | 136.8 Ų | 136.8 | 59% | 0.591 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 153.9 | 176.7 | 29.8 | -34.3 | 0 | 0 | 0 | 111.3 | Y185 | Y185-P187 HydrophobicContact CD1-CB 4.49Å; Y185-P187 HydrophobicContact CE1-CB 3.92Å; Y185-P187 WeakPolarHBondContact O-CD 3.41Å |
| 188 | P | 97.2 | Very high | 95.8 | Very high | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 153.7 | 173.7 | 29.3 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 189 | E | 95.4 | Very high | 95.6 | Very high | 201 Ų | 201 | 130.9 Ų | 130.9 | 94% | 0.939 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 143.5 | 176.8 | -64.2 | -172.8 | 178.6 | 0 | 0 | 112.2 | ||
| 190 | G | 95.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | -158.3 | 169.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 191 | K | 95.9 | Very high | 94.8 | Very high | 213 Ų | 213 | 129.5 Ų | 129.5 | 93% | 0.926 | 69% | 0.694 | S | S | * | * | trans | -118.8 | 131.6 | 176.5 | -64.9 | -178.2 | -177.6 | 178.3 | 0 | 109.9 | ||||
| 192 | Y | 95.9 | Very high | 94 | Very high | 211 Ų | 211 | 129.4 Ų | 129.4 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | trans | -93.1 | 122.1 | 171.2 | -175.8 | -96.2 | 0 | 0 | 0 | 109.6 | D194 | Y192-D194 HydrophobicContact CE1-CB 4.26Š| ||
| 193 | S | 96 | Very high | 92.6 | Very high | 89 Ų | 89 | 130.5 Ų | 130.5 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | trans | -119.6 | 117.9 | 172.6 | 58.2 | 0 | 0 | 0 | 0 | 109.3 | V195 | S193-V195 PolarHBondContact O-N 3.35Š| ||
| 194 | D | 96.3 | Very high | 90.5 | Very high | 103 Ų | 103 | 129.4 Ų | 129.4 | 55% | 0.551 | 68% | 0.681 | S | S | * | * | trans | -71.2 | 123.4 | 174.7 | -171.4 | 0.2 | 0 | 0 | 0 | 110 | Y192 T196 | Y192-D194 HydrophobicContact CE1-CB 4.26Å; D194-T196 VanDerWaalsContact CG-OG1 3.24Å; D194-T196 VanDerWaalsContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CB 3.46Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.42Å; D194-T196 PolarHBondContact OD1-N 2.96Å; D194-T196 PolarHBondContact OD1-OG1 2.95Å; D194-T196 PolarHBondContact OD2-OG1 3.13Å; D194-T196 VanDerWaalsContact OD2-OG1 3.12Å | ||
| 195 | V | 96 | Very high | 88.5 | Confident | 125 Ų | 125 | 130.8 Ų | 130.8 | 76% | 0.758 | 68% | 0.679 | S | S | * | * | trans | -115.7 | 14.2 | 179.7 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | S193 K197 | S193-V195 PolarHBondContact O-N 3.35Å; V195-K197 PolarHBondContact O-N 3.12Å | ||
| 196 | T | 95.6 | Very high | 85.8 | Confident | 102 Ų | 102 | 136.4 Ų | 136.4 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 132.3 | 176.8 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | D194 V198 | D194-T196 VanDerWaalsContact CG-OG1 3.24Å; D194-T196 VanDerWaalsContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CB 3.46Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.42Å; D194-T196 PolarHBondContact OD1-N 2.96Å; D194-T196 PolarHBondContact OD1-OG1 2.95Å; D194-T196 PolarHBondContact OD2-OG1 3.13Å; D194-T196 VanDerWaalsContact OD2-OG1 3.12Å; T196-V198 PolarHBondContact O-N 3.16Å |
| 197 | K | 94.2 | Very high | 85.3 | Confident | 126 Ų | 126 | 134.5 Ų | 134.5 | 55% | 0.548 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -77 | 124.3 | -179 | -61.6 | -174.6 | -156 | 115.9 | 0 | 109.5 | E86 V195 Y199 | E86-K197 WeakPolarHBondContact OE1-CD 3.26Å; E86-K197 IonicContact OE1-NZ 3.77Å; E86-K197 PolarHBondContact OE1-NZ 3.47Å; E86-K197 IonicContact OE2-NZ 2.77Å; E86-K197 PolarHBondContact OE2-NZ 2.87Å; V195-K197 PolarHBondContact O-N 3.12Å; K197-Y199 HydrophobicContact CB-CD2 4.47Å; K197-Y199 HydrophobicContact CB-CE2 3.78Å; K197-Y199 VanDerWaalsContact O-CD2 3.23Å; K197-Y199 WeakPolarHBondContact O-CD2 3.38Å; K197-Y199 WeakPolarHBondContact O-CE2 3.33Å |
| 198 | V | 94 | Very high | 84.8 | Confident | 127 Ų | 127 | 136.8 Ų | 136.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 118.5 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | T196 T200 | T196-V198 PolarHBondContact O-N 3.16Å; V198-T200 HydrophobicContact CG1-CG2 4.2Å |
| 199 | Y | 92.1 | Very high | 84.1 | Confident | 95 Ų | 95 | 138.1 Ų | 138.1 | 37% | 0.373 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -96.9 | 118.8 | 177 | -63.9 | -90.5 | 0 | 0 | 0 | 109.7 | I83 P84 E86 K197 | I83-Y199 HydrophobicContact CG2-CD2 3.64Å; I83-Y199 HydrophobicContact CG2-CE2 4.24Å; I83-Y199 HydrophobicContact CG2-CG 4.28Å; P84-Y199 HydrophobicContact CG-CD1 3.7Å; P84-Y199 HydrophobicContact CG-CD2 4.28Å; P84-Y199 HydrophobicContact CG-CE1 3.44Å; P84-Y199 VanDerWaalsContact CG-CE1 3.44Å; P84-Y199 HydrophobicContact CG-CE2 4.05Å; P84-Y199 HydrophobicContact CG-CG 4.12Å; E86-Y199 PolarHBondContact OE1-OH 2.9Å; K197-Y199 HydrophobicContact CB-CD2 4.47Å; K197-Y199 HydrophobicContact CB-CE2 3.78Å; K197-Y199 VanDerWaalsContact O-CD2 3.23Å; K197-Y199 WeakPolarHBondContact O-CD2 3.38Å; K197-Y199 WeakPolarHBondContact O-CE2 3.33Å |
| 200 | T | 90.5 | Very high | 83.4 | Confident | 104 Ų | 104 | 134.4 Ų | 134.4 | 64% | 0.638 | 69% | 0.691 | S | S | * | * | trans | -113.4 | 129.3 | -179.9 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | V198 V202 | V198-T200 HydrophobicContact CG1-CG2 4.2Å; T200-V202 WeakPolarHBondContact O-CG2 3.4Å; T200-V202 PolarHBondContact O-N 3.14Å | ||
| 201 | Q | 85.8 | Confident | 82.7 | Confident | 83 Ų | 83 | 138.1 Ų | 138.1 | 39% | 0.388 | 69% | 0.686 | S | S | . | * | trans | -82.9 | 98.9 | 171.1 | -167.3 | 179.3 | 5 | 0 | 0 | 109.2 | S79 E81 | S79-Q201 PolarHBondContact O-NE2 3.3Å; S79-Q201 VanDerWaalsContact O-NE2 3.12Å; E81-Q201 HydrophobicContact CG-CG 4.48Å; E81-Q201 VanDerWaalsContact N-OE1 3.11Å | ||
| 202 | V | 78.5 | Confident | 81.8 | Confident | 126 Ų | 126 | 133.1 Ų | 133.1 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | trans | -94.1 | -25.3 | -172.8 | -141.8 | 0 | 0 | 0 | 0 | 112.7 | T200 | T200-V202 WeakPolarHBondContact O-CG2 3.4Å; T200-V202 PolarHBondContact O-N 3.14Å | ||
| 203 | E | 66.9 | Low | 80.8 | Confident | 151 Ų | 151 | 127.5 Ų | 127.5 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | trans | -136.5 | 131.8 | -172.8 | -64.3 | -171.4 | 169.2 | 0 | 0 | 112.9 | K205 | E203-K205 PolarHBondContact O-N 3.32Š| ||
| 204 | L | 53.4 | Low | 79.6 | Confident | 86 Ų | 86 | 130.5 Ų | 130.5 | 45% | 0.45 | 66% | 0.662 | S | S | . | * | trans | -82.9 | 101 | 160 | -69.9 | 168.6 | 0 | 0 | 0 | 107.6 | L75 A78 K206 | L75-L204 HydrophobicContact CD2-CD1 3.88Å; A78-L204 HydrophobicContact CB-CD1 3.7Å; A78-L204 HydrophobicContact CB-CD2 3.18Å; A78-L204 HydrophobicContact CB-CG 4.07Å; L204-K206 PolarHBondContact O-N 2.7Å | ||
| 205 | K | 51.8 | Low | 78.2 | Confident | 191 Ų | 191 | 132.8 Ų | 132.8 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | trans | -55.4 | 124.4 | 167.1 | -67.2 | -178.3 | -179.2 | 174.9 | 0 | 107.7 | E203 | E203-K205 PolarHBondContact O-N 3.32Š| ||
| 206 | K | 40.2 | Very low | 76.6 | Confident | 277 Ų | 277 | 133.5 Ų | 133.5 | 100% | 1.204 | 66% | 0.663 | S | S | * | * | trans | -69 | 0 | 174.6 | -78.2 | -177.9 | 178.9 | 174.5 | 0 | 111.1 | L204 | L204-K206 PolarHBondContact O-N 2.7Š|
Retrieved 206 of 206 residues in 653.2 ms
(Link to these results)