| 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 | 31.9 | Very low | 22.9 | Very low | 247 Ų | 247 | 153.1 Ų | 153.1 | 100% | 1.217 | 79% | 0.791 | S | S | * | * | 0 | 121 | 0 | -115.4 | 169.3 | 166.6 | 0 | 0 | 107.8 | |||||
| 2 | V | 22 | Very low | 22.6 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -60.5 | 144.4 | 162.5 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | Y4 | V2-Y4 HydrophobicContact CG1-CD2 4.34Å; V2-Y4 HydrophobicContact CG1-CE2 3.98Å | ||
| 3 | A | 21.5 | Very low | 23.1 | Very low | 78 Ų | 78 | 151 Ų | 151 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | trans | 168.8 | 112.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | Y | 21.9 | Very low | 23 | Very low | 216 Ų | 216 | 147.5 Ų | 147.5 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | 72.3 | 140 | 97.5 | -68.2 | -65.9 | 0 | 0 | 0 | 111.2 | V2 | V2-Y4 HydrophobicContact CG1-CD2 4.34Å; V2-Y4 HydrophobicContact CG1-CE2 3.98Å | |||
| 5 | S | 21.4 | Very low | 23.2 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 179.9 | 140.5 | 12.7 | 153.9 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 6 | L | 21.8 | Very low | 23.5 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 12.4 | 138.9 | 137.9 | -66.2 | 154.9 | 0 | 0 | 0 | 117.8 | ||||
| 7 | S | 20.8 | Very low | 24.1 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | 140.4 | 146.7 | 115.6 | -161.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 8 | C | 22.8 | Very low | 24.4 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 72% | 0.716 | 77% | 0.774 | S | S | * | * | trans | 78.1 | 140.5 | 157.9 | -62.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 9 | F | 21.7 | Very low | 24.5 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | cis | -174 | 153.7 | -15.6 | -133.2 | -100.6 | 0 | 0 | 0 | 104.1 | ||||
| 10 | E | 19.3 | Very low | 24.4 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | -2.6 | 135.1 | 159.3 | -59.7 | 174.3 | 150.1 | 0 | 0 | 120 | ||||
| 11 | W | 27.1 | Very low | 24.4 | Very low | 247 Ų | 247 | 150.7 Ų | 150.7 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | -130.9 | 125.5 | 131.4 | -93.6 | 75.3 | 0 | 0 | 0 | 110.5 | I13 | W11-I13 HydrophobicContact CE3-CD1 4.36Å; W11-I13 HydrophobicContact CZ3-CD1 4.23Å | ||
| 12 | N | 19.6 | Very low | 24.1 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -94.2 | 150.2 | 173.8 | -175.8 | -5.8 | 0 | 0 | 0 | 108.2 | ||||
| 13 | I | 28.8 | Very low | 24.2 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -171.5 | 98.6 | 139.6 | -87.9 | 146.9 | 0 | 0 | 0 | 107.9 | W11 | W11-I13 HydrophobicContact CE3-CD1 4.36Å; W11-I13 HydrophobicContact CZ3-CD1 4.23Å | ||
| 14 | S | 21.9 | Very low | 24.5 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 8.1 | 144.5 | 128.8 | -139.4 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 15 | A | 25.8 | Very low | 24.8 | Very low | 76 Ų | 76 | 145.6 Ų | 145.6 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | cis | -161.2 | 154 | 18.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 16 | H | 28.4 | Very low | 25.1 | Very low | 167 Ų | 167 | 147 Ų | 147 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 82.2 | 103.7 | 166.6 | -80 | -86 | 0 | 0 | 0 | 119.3 | ||
| 17 | Y | 33.6 | Very low | 25.3 | Very low | 221 Ų | 221 | 146.1 Ų | 146.1 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | 86.7 | 87.1 | 168.9 | -64.4 | -75.4 | 0 | 0 | 0 | 117.8 | ||||
| 18 | D | 28.6 | Very low | 25.5 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -38.9 | 144.7 | 162.1 | -80.7 | -49.3 | 0 | 0 | 0 | 118.7 | ||||
| 19 | F | 26.6 | Very low | 25.6 | Very low | 183 Ų | 183 | 153 Ų | 153 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | trans | 80.4 | 89.6 | 147.8 | -90.8 | -93.9 | 0 | 0 | 0 | 121.3 | ||||
| 20 | F | 23.2 | Very low | 25.7 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | -27.9 | 131.2 | 129 | -71.6 | -100.8 | 0 | 0 | 0 | 115.8 | L22 | F20-L22 HydrophobicContact CD1-CD1 4.34Š| |||
| 21 | V | 24.1 | Very low | 26 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | -151.2 | 116.2 | 113.1 | 169.9 | 0 | 0 | 0 | 0 | 108.3 | K23 | V21-K23 PolarHBondContact O-N 3.16Š| |||
| 22 | L | 24.9 | Very low | 26 | Very low | 122 Ų | 122 | 150 Ų | 150 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | -75.9 | 104.5 | 171.8 | -84.4 | 144.1 | 0 | 0 | 0 | 110.7 | F20 F25 | F20-L22 HydrophobicContact CD1-CD1 4.34Å; L22-F25 HydrophobicContact CD2-CD2 3.99Å; L22-F25 HydrophobicContact CD2-CE2 3.5Å | ||
| 23 | K | 23.7 | Very low | 26.4 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | trans | -141.5 | 108.6 | 154.1 | -92.3 | -171.3 | 177.4 | 174.3 | 0 | 110.4 | V21 | V21-K23 PolarHBondContact O-N 3.16Š| ||
| 24 | G | 28.5 | Very low | 26.2 | Very low | 74 Ų | 74 | 144.2 Ų | 144.2 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | 81.3 | 61.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | T26 | G24-T26 PolarHBondContact O-N 3.28Å; G24-T26 VanDerWaalsContact O-N 3.15Å | ||
| 25 | F | 28.3 | Very low | 26.4 | Very low | 163 Ų | 163 | 147 Ų | 147 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | -47.9 | 114.4 | 170.6 | -95.3 | -103.7 | 0 | 0 | 0 | 112.6 | L22 I27 | L22-F25 HydrophobicContact CD2-CD2 3.99Å; L22-F25 HydrophobicContact CD2-CE2 3.5Å; F25-I27 HydrophobicContact CD1-CG1 4.26Å | ||
| 26 | T | 27.6 | Very low | 26.3 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | -91.3 | 104.9 | 153.9 | -60 | 0 | 0 | 0 | 0 | 106.7 | G24 I28 | G24-T26 PolarHBondContact O-N 3.28Å; G24-T26 VanDerWaalsContact O-N 3.15Å; T26-I28 HydrophobicContact CG2-CD1 4.46Å; T26-I28 HydrophobicContact CG2-CG1 3.85Å; T26-I28 PolarHBondContact O-N 3.33Å; T26-I28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | I | 25.4 | Very low | 26.1 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -77.7 | 95 | 173.1 | -61 | 174.8 | 0 | 0 | 0 | 107.4 | F25 R29 | F25-I27 HydrophobicContact CD1-CG1 4.26Å; I27-R29 PolarHBondContact O-N 3.47Å | ||
| 28 | I | 26.8 | Very low | 25.6 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 58% | 0.579 | 76% | 0.761 | S | S | * | * | trans | -83.9 | 103.4 | 165.1 | -55.8 | -178.9 | 0 | 0 | 0 | 106.6 | T26 Y30 | T26-I28 HydrophobicContact CG2-CD1 4.46Å; T26-I28 HydrophobicContact CG2-CG1 3.85Å; T26-I28 PolarHBondContact O-N 3.33Å; T26-I28 VanDerWaalsContact O-N 3.11Å; I28-Y30 HydrophobicContact CB-CD2 4.43Å; I28-Y30 HydrophobicContact CB-CE2 4.34Å; I28-Y30 HydrophobicContact CG2-CD2 3.77Å; I28-Y30 HydrophobicContact CG2-CE2 3.63Å; I28-Y30 PolarHBondContact O-N 2.91Å | ||
| 29 | R | 23.2 | Very low | 25.5 | Very low | 236 Ų | 236 | 141.3 Ų | 141.3 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | -65.4 | 101.3 | 163.8 | -99.2 | -164.8 | 173 | 157.5 | -1 | 108.3 | I27 S31 | I27-R29 PolarHBondContact O-N 3.47Å; R29-S31 PolarHBondContact O-N 3.42Å | ||
| 30 | Y | 24.8 | Very low | 25.5 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -78.4 | 103.6 | 156 | -82.7 | -87.1 | 0 | 0 | 0 | 107.4 | I28 Q32 | I28-Y30 HydrophobicContact CB-CD2 4.43Å; I28-Y30 HydrophobicContact CB-CE2 4.34Å; I28-Y30 HydrophobicContact CG2-CD2 3.77Å; I28-Y30 HydrophobicContact CG2-CE2 3.63Å; I28-Y30 PolarHBondContact O-N 2.91Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.28Å; Y30-Q32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | S | 26.2 | Very low | 25.5 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -73.6 | 95.1 | 159.5 | 60.8 | 0 | 0 | 0 | 0 | 107.3 | R29 G33 | R29-S31 PolarHBondContact O-N 3.42Å; S31-G33 PolarHBondContact O-N 3.08Å | ||
| 32 | Q | 26.3 | Very low | 25.9 | Very low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -62 | 86.7 | 161.4 | -87.9 | 170 | -45.2 | 0 | 0 | 108.4 | Y30 | Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.28Å; Y30-Q32 VanDerWaalsContact O-N 3.1Å | ||
| 33 | G | 27.2 | Very low | 26 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -94.2 | 90 | 159 | 0 | 0 | 0 | 0 | 0 | 108 | S31 M35 | S31-G33 PolarHBondContact O-N 3.08Å; G33-M35 PolarHBondContact O-N 3.32Å | ||
| 34 | A | 25.4 | Very low | 26.1 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 10.2 | 103.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 35 | M | 25.4 | Very low | 26.1 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -125.3 | 87 | 136.4 | -82.6 | -142 | -86.2 | 0 | 0 | 107.1 | G33 | G33-M35 PolarHBondContact O-N 3.32Š| ||
| 36 | E | 25 | Very low | 26 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -72.6 | 131.2 | 168.8 | -172.6 | 169.4 | -152.2 | 0 | 0 | 108.6 | ||||
| 37 | C | 23.5 | Very low | 26.1 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | 61.3 | 129.6 | 160.8 | -56.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 38 | V | 23.9 | Very low | 26.2 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | -154.9 | 123.6 | 55.1 | 170.2 | 0 | 0 | 0 | 0 | 107.8 | E40 | V38-E40 HydrophobicContact CG1-CB 4.4Å; V38-E40 HydrophobicContact CG1-CG 3.83Å; V38-E40 PolarHBondContact O-N 3.13Å | |||
| 39 | A | 25.6 | Very low | 26.4 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -83 | 89.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | N41 | A39-N41 PolarHBondContact O-N 2.7Š| ||
| 40 | E | 26.9 | Very low | 26.4 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -80.9 | 114.1 | 165.3 | -96.6 | 171.2 | -167 | 0 | 0 | 108.5 | V38 V42 | V38-E40 HydrophobicContact CG1-CB 4.4Å; V38-E40 HydrophobicContact CG1-CG 3.83Å; V38-E40 PolarHBondContact O-N 3.13Å; E40-V42 PolarHBondContact O-N 3.02Å | ||
| 41 | N | 23.2 | Very low | 26.8 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -55.4 | 118.1 | 163.6 | -68.1 | -59.8 | 0 | 0 | 0 | 108.7 | A39 | A39-N41 PolarHBondContact O-N 2.7Š| ||
| 42 | V | 33.2 | Very low | 27.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -126.5 | 128.4 | 159.2 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | E40 | E40-V42 PolarHBondContact O-N 3.02Š| ||
| 43 | E | 27.1 | Very low | 28 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -63 | 153.2 | -160.3 | -67.4 | 167.7 | 145.1 | 0 | 0 | 114.9 | S45 | E43-S45 PolarHBondContact O-N 3.3Å; E43-S45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | Q | 25 | Very low | 28.9 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | -51.4 | 110.8 | 161.7 | -66.2 | 164.6 | -1.6 | 0 | 0 | 109.7 | ||||
| 45 | S | 28.4 | Very low | 29.7 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -121.9 | 114.3 | 152.2 | 51.6 | 0 | 0 | 0 | 0 | 108.2 | E43 N47 | E43-S45 PolarHBondContact O-N 3.3Å; E43-S45 VanDerWaalsContact O-N 3.16Å; S45-N47 PolarHBondContact O-N 3.48Å | ||
| 46 | S | 26.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -46.4 | 120.6 | 165.2 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 47 | N | 30.2 | Very low | 31.7 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -147.6 | 106 | 142.3 | -94.7 | -24.1 | 0 | 0 | 0 | 108.5 | S45 D49 | S45-N47 PolarHBondContact O-N 3.48Å; N47-D49 PolarHBondContact O-N 3.28Å | ||
| 48 | S | 26.8 | Very low | 33.4 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | -50.8 | 114.1 | 156.3 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 49 | D | 30.2 | Very low | 35.1 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | trans | -149.6 | 112.4 | 144.7 | -108.1 | -26 | 0 | 0 | 0 | 110.1 | N47 S51 | N47-D49 PolarHBondContact O-N 3.28Å; D49-S51 PolarHBondContact O-N 2.71Å | ||
| 50 | C | 24.2 | Very low | 36.8 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 86% | 0.858 | 72% | 0.722 | S | S | * | * | trans | -72.7 | 115.3 | 173.6 | -170.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 51 | S | 31.8 | Very low | 38.9 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -148.8 | 139.8 | 160.7 | -89.6 | 0 | 0 | 0 | 0 | 111.8 | D49 | D49-S51 PolarHBondContact O-N 2.71Š| ||
| 52 | P | 41.3 | Very low | 41.1 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -92.9 | 137.6 | -144.8 | 34.3 | -32.7 | 0 | 0 | 0 | 113.3 | S54 | P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 3.43Å | ||
| 53 | E | 37.4 | Very low | 43.1 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | trans | 24.6 | 39.1 | 142.6 | -91.8 | -154.1 | 152.5 | 0 | 0 | 120.3 | S55 K56 | E53-S55 PolarHBondContact O-N 3.29Å; E53-K56 WeakPolarHBondContact OE1-CE 3.3Å; E53-K56 IonicContact OE1-NZ 2.83Å; E53-K56 PolarHBondContact OE1-NZ 2.88Å; E53-K56 IonicContact OE2-NZ 3.73Å; E53-K56 PolarHBondContact OE2-NZ 3.33Å | ||
| 54 | S | 45.1 | Very low | 45.3 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | trans | -97.7 | 48.4 | -178.7 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | P52 N60 | P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 3.43Å; S54-N60 PolarHBondContact O-ND2 2.84Å | ||
| 55 | S | 42 | Very low | 47.6 | Very low | 62 Ų | 62 | 117 Ų | 117 | 43% | 0.434 | 65% | 0.646 | S | S | . | * | trans | -152.9 | 39.2 | 171.4 | 65 | 0 | 0 | 0 | 0 | 116.4 | E53 H57 | E53-S55 PolarHBondContact O-N 3.29Å; S55-H57 VanDerWaalsContact C-N 3.27Å | ||
| 56 | K | 48.3 | Very low | 49.6 | Very low | 151 Ų | 151 | 115.8 Ų | 115.8 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | trans | -81.2 | -5.6 | 165.6 | -69.6 | 172.2 | -176.1 | 159.2 | 0 | 113.2 | E53 | E53-K56 WeakPolarHBondContact OE1-CE 3.3Å; E53-K56 IonicContact OE1-NZ 2.83Å; E53-K56 PolarHBondContact OE1-NZ 2.88Å; E53-K56 IonicContact OE2-NZ 3.73Å; E53-K56 PolarHBondContact OE2-NZ 3.33Å | ||
| 57 | H | 45.9 | Very low | 51.9 | Low | 126 Ų | 126 | 117.4 Ų | 117.4 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -71.2 | 129.6 | 178.8 | -153.9 | -97.2 | 0 | 0 | 0 | 111 | S55 F59 N60 K61 | S55-H57 VanDerWaalsContact C-N 3.27Å; H57-F59 WeakPolarHBondContact ND1-CB 3.27Å; H57-F59 PolarHBondContact O-N 2.84Å; H57-N60 PolarHBondContact O-N 3.28Å; H57-K61 PolarHBondContact O-N 3.48Å |
| 58 | P | 58.4 | Low | 53.8 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -58.9 | -25.3 | -177.5 | 22 | -32.9 | 0 | 0 | 0 | 113.2 | K61 R62 | P58-K61 PolarHBondContact O-N 3.25Å; P58-R62 PolarHBondContact O-N 3.14Å |
| 59 | F | 59 | Low | 55.6 | Low | 137 Ų | 137 | 120 Ų | 120 | 60% | 0.601 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.6 | -38.3 | 173.9 | -134.9 | -85.9 | 0 | 0 | 0 | 112.3 | H57 R62 M63 | H57-F59 WeakPolarHBondContact ND1-CB 3.27Å; H57-F59 PolarHBondContact O-N 2.84Å; F59-R62 PolarHBondContact O-N 3.37Å; F59-M63 WeakPolarHBondContact O-CB 3.48Å; F59-M63 PolarHBondContact O-N 3.48Å |
| 60 | N | 61.5 | Low | 57.3 | Low | 62 Ų | 62 | 117.1 Ų | 117.1 | 33% | 0.332 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.5 | -37.3 | 175 | -92.7 | -9.8 | 0 | 0 | 0 | 111.7 | S54 H57 M63 I64 | S54-N60 PolarHBondContact O-ND2 2.84Å; H57-N60 PolarHBondContact O-N 3.28Å; N60-M63 WeakPolarHBondContact O-CB 3.5Å; N60-M63 PolarHBondContact O-N 3.47Å; N60-I64 WeakPolarHBondContact O-CB 3.49Å; N60-I64 VanDerWaalsContact O-CG1 3.23Å; N60-I64 WeakPolarHBondContact O-CG1 3.44Å; N60-I64 PolarHBondContact O-N 3.06Å |
| 61 | K | 71.5 | Confident | 59.5 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.8 | -44.1 | 173.5 | -70.6 | -171.9 | 178.2 | -177.3 | 0 | 112 | H57 P58 M63 I64 I65 | H57-K61 PolarHBondContact O-N 3.48Å; P58-K61 PolarHBondContact O-N 3.25Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.85Å; K61-I64 PolarHBondContact O-N 3.01Å; K61-I65 VanDerWaalsContact O-CG1 3.25Å; K61-I65 WeakPolarHBondContact O-CG1 3.35Å; K61-I65 PolarHBondContact O-N 3.46Å |
| 62 | R | 70.3 | Confident | 61.1 | Low | 181 Ų | 181 | 114 Ų | 114 | 68% | 0.683 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.9 | -44.3 | 174.3 | -73.4 | -176.4 | -179.2 | -170.5 | 1.2 | 111.4 | P58 F59 I64 I65 V66 | P58-R62 PolarHBondContact O-N 3.14Å; F59-R62 PolarHBondContact O-N 3.37Å; R62-I64 PolarHBondContact O-N 3.11Å; R62-I65 PolarHBondContact O-N 2.88Å; R62-V66 WeakPolarHBondContact O-CG2 3.34Å; R62-V66 PolarHBondContact O-N 3.33Å |
| 63 | M | 73.9 | Confident | 62 | Low | 90 Ų | 90 | 120.4 Ų | 120.4 | 44% | 0.443 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.1 | -43.5 | 177.2 | -163.3 | 93.6 | 74.5 | 0 | 0 | 112.1 | F59 N60 K61 V66 K67 | F59-M63 WeakPolarHBondContact O-CB 3.48Å; F59-M63 PolarHBondContact O-N 3.48Å; N60-M63 WeakPolarHBondContact O-CB 3.5Å; N60-M63 PolarHBondContact O-N 3.47Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.85Å; M63-V66 PolarHBondContact O-N 3.04Å; M63-K67 WeakPolarHBondContact O-CB 3.38Å; M63-K67 WeakPolarHBondContact O-CG 3.39Å; M63-K67 PolarHBondContact O-N 3.48Å |
| 64 | I | 73.3 | Confident | 63 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.6 | -43.1 | 177.1 | -69.7 | 164 | 0 | 0 | 0 | 110.7 | N60 K61 R62 K67 R68 | N60-I64 WeakPolarHBondContact O-CB 3.49Å; N60-I64 VanDerWaalsContact O-CG1 3.23Å; N60-I64 WeakPolarHBondContact O-CG1 3.44Å; N60-I64 PolarHBondContact O-N 3.06Å; K61-I64 PolarHBondContact O-N 3.01Å; R62-I64 PolarHBondContact O-N 3.11Å; I64-K67 PolarHBondContact O-N 3.35Å; I64-R68 VanDerWaalsContact O-CB 3.24Å; I64-R68 WeakPolarHBondContact O-CB 3.23Å; I64-R68 PolarHBondContact O-N 3.41Å |
| 65 | I | 74.2 | Confident | 63.3 | Low | 93 Ų | 93 | 120.4 Ų | 120.4 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.3 | -54.7 | 174.5 | -68.9 | 166.3 | 0 | 0 | 0 | 108.9 | K61 R62 K67 R68 Y69 | K61-I65 VanDerWaalsContact O-CG1 3.25Å; K61-I65 WeakPolarHBondContact O-CG1 3.35Å; K61-I65 PolarHBondContact O-N 3.46Å; R62-I65 PolarHBondContact O-N 2.88Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.92Å; I65-R68 PolarHBondContact O-N 2.88Å; I65-R68 VanDerWaalsContact O-N 3.14Å; I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.61Å; I65-Y69 WeakPolarHBondContact O-CB 3.21Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å |
| 66 | V | 70.8 | Confident | 64.2 | Low | 84 Ų | 84 | 121.1 Ų | 121.1 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56.6 | -46.9 | 179.8 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | R62 M63 R68 Y69 L70 | R62-V66 WeakPolarHBondContact O-CG2 3.34Å; R62-V66 PolarHBondContact O-N 3.33Å; M63-V66 PolarHBondContact O-N 3.04Å; V66-R68 PolarHBondContact O-N 3.12Å; V66-Y69 PolarHBondContact O-N 3.1Å; V66-L70 HydrophobicContact CG1-CD1 3.81Å; V66-L70 HydrophobicContact CG1-CG 4.23Å; V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.97Å |
| 67 | K | 73.3 | Confident | 64.8 | Low | 143 Ų | 143 | 118 Ų | 118 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.1 | -45.2 | 176.9 | -77.3 | -175.1 | 177 | -173.8 | 0 | 112.2 | M63 I64 I65 Y69 L70 A71 | M63-K67 WeakPolarHBondContact O-CB 3.38Å; M63-K67 WeakPolarHBondContact O-CG 3.39Å; M63-K67 PolarHBondContact O-N 3.48Å; I64-K67 PolarHBondContact O-N 3.35Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.92Å; K67-Y69 VanDerWaalsContact C-N 3.32Å; K67-Y69 PolarHBondContact O-N 3.37Å; K67-L70 PolarHBondContact O-N 2.94Å; K67-A71 VanDerWaalsContact O-CB 3.27Å; K67-A71 WeakPolarHBondContact O-CB 3.4Å; K67-A71 PolarHBondContact O-N 3.07Å |
| 68 | R | 70.5 | Confident | 65.7 | Low | 180 Ų | 180 | 119.8 Ų | 119.8 | 68% | 0.679 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.1 | -36.7 | 178.3 | -163.6 | -178.4 | -79.5 | -165.4 | -5.1 | 111.4 | I64 I65 V66 L72 | I64-R68 VanDerWaalsContact O-CB 3.24Å; I64-R68 WeakPolarHBondContact O-CB 3.23Å; I64-R68 PolarHBondContact O-N 3.41Å; I65-R68 PolarHBondContact O-N 2.88Å; I65-R68 VanDerWaalsContact O-N 3.14Å; V66-R68 PolarHBondContact O-N 3.12Å; R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.34Å |
| 69 | Y | 64 | Low | 65.8 | Low | 145 Ų | 145 | 120.1 Ų | 120.1 | 57% | 0.569 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.7 | -38.2 | 176.7 | -89.6 | -95.6 | 0 | 0 | 0 | 113.2 | I65 V66 K67 | I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.61Å; I65-Y69 WeakPolarHBondContact O-CB 3.21Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å; V66-Y69 PolarHBondContact O-N 3.1Å; K67-Y69 VanDerWaalsContact C-N 3.32Å; K67-Y69 PolarHBondContact O-N 3.37Å |
| 70 | L | 66.9 | Low | 65.8 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -41.6 | 173.2 | -72 | 172.6 | 0 | 0 | 0 | 111.4 | V66 K67 L72 R73 F75 | V66-L70 HydrophobicContact CG1-CD1 3.81Å; V66-L70 HydrophobicContact CG1-CG 4.23Å; V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.97Å; K67-L70 PolarHBondContact O-N 2.94Å; L70-L72 PolarHBondContact O-N 3.29Å; L70-R73 PolarHBondContact O-N 3.03Å; L70-R73 VanDerWaalsContact O-N 3.08Å; L70-F75 HydrophobicContact CD2-CD1 4.37Å |
| 71 | A | 69.8 | Low | 65.8 | Low | 79 Ų | 79 | 118.5 Ų | 118.5 | 65% | 0.653 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.4 | -32.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K67 R73 | K67-A71 VanDerWaalsContact O-CB 3.27Å; K67-A71 WeakPolarHBondContact O-CB 3.4Å; K67-A71 PolarHBondContact O-N 3.07Å; A71-R73 PolarHBondContact O-N 2.95Å; A71-R73 VanDerWaalsContact O-N 3.13Å |
| 72 | L | 66.6 | Low | 65.5 | Low | 94 Ų | 94 | 119.8 Ų | 119.8 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.6 | -2.2 | 177.8 | -73.5 | 171 | 0 | 0 | 0 | 113.9 | R68 L70 K74 | R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.34Å; L70-L72 PolarHBondContact O-N 3.29Å; L72-K74 WeakPolarHBondContact O-CG 3.47Å; L72-K74 PolarHBondContact O-N 2.71Å |
| 73 | R | 59.5 | Low | 65.2 | Low | 241 Ų | 241 | 113.9 Ų | 113.9 | 91% | 0.909 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 49.2 | 5.7 | 179.3 | -68.1 | -169.2 | 177.1 | -166.7 | 0.7 | 116.3 | L70 A71 | L70-R73 PolarHBondContact O-N 3.03Å; L70-R73 VanDerWaalsContact O-N 3.08Å; A71-R73 PolarHBondContact O-N 2.95Å; A71-R73 VanDerWaalsContact O-N 3.13Å |
| 74 | K | 57.9 | Low | 64.9 | Low | 164 Ų | 164 | 111.6 Ų | 111.6 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | trans | -93.8 | 4.7 | 178.9 | -71.2 | 174.2 | -175.8 | -175.2 | 0 | 112.3 | L72 N76 | L72-K74 WeakPolarHBondContact O-CG 3.47Å; L72-K74 PolarHBondContact O-N 2.71Å; K74-N76 PolarHBondContact O-N 2.84Å; K74-N76 VanDerWaalsContact O-N 3.1Å | ||
| 75 | F | 52.8 | Low | 64.6 | Low | 94 Ų | 94 | 115.4 Ų | 115.4 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | trans | -78.6 | 96 | 179.8 | -172.7 | -105.2 | 0 | 0 | 0 | 110.5 | L70 P77 F80 | L70-F75 HydrophobicContact CD2-CD1 4.37Å; F75-P77 HydrophobicContact CD1-CG 4.13Å; F75-P77 HydrophobicContact CE1-CB 4.2Å; F75-P77 HydrophobicContact CE1-CG 3.76Å; F75-P77 WeakPolarHBondContact O-CD 3.25Å; F75-F80 HydrophobicContact CE2-CB 3.97Å; F75-F80 HydrophobicContact CE2-CD2 4.28Å; F75-F80 HydrophobicContact CE2-CG 4.09Å; F75-F80 HydrophobicContact CZ-CB 4.41Å | ||
| 76 | N | 60.6 | Low | 64.4 | Low | 77 Ų | 77 | 116.6 Ų | 116.6 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | trans | -94.2 | 111.8 | 162.4 | -174.9 | -14.8 | 0 | 0 | 0 | 108.5 | K74 K78 E79 F80 | K74-N76 PolarHBondContact O-N 2.84Å; K74-N76 VanDerWaalsContact O-N 3.1Å; N76-K78 PolarHBondContact O-N 2.92Å; N76-K78 VanDerWaalsContact O-N 3.12Å; N76-K78 WeakPolarHBondContact OD1-CB 3.34Å; N76-K78 PolarHBondContact OD1-N 3.22Å; N76-E79 HydrophobicContact CB-CB 4.05Å; N76-E79 HydrophobicContact CB-CG 3.93Å; N76-E79 PolarHBondContact O-N 2.83Å; N76-F80 PolarHBondContact O-N 2.73Å | ||
| 77 | P | 60.9 | Low | 64.3 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 55% | 0.552 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -54.7 | -32.1 | 178.6 | -22.5 | 29.7 | 0 | 0 | 0 | 113.2 | F75 F80 G81 | F75-P77 HydrophobicContact CD1-CG 4.13Å; F75-P77 HydrophobicContact CE1-CB 4.2Å; F75-P77 HydrophobicContact CE1-CG 3.76Å; F75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-F80 PolarHBondContact O-N 3.01Å; P77-G81 PolarHBondContact O-N 3.43Å |
| 78 | K | 64.6 | Low | 64.1 | Low | 164 Ų | 164 | 122.7 Ų | 122.7 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68 | -38.8 | 177.9 | -60.9 | -177.6 | 178.6 | 178.6 | 0 | 111.8 | N76 G81 R82 | N76-K78 PolarHBondContact O-N 2.92Å; N76-K78 VanDerWaalsContact O-N 3.12Å; N76-K78 WeakPolarHBondContact OD1-CB 3.34Å; N76-K78 PolarHBondContact OD1-N 3.22Å; K78-G81 PolarHBondContact O-N 3.49Å; K78-R82 WeakPolarHBondContact O-CG 3.41Å; K78-R82 PolarHBondContact O-N 3.42Å; K78-R82 VanDerWaalsContact O-N 3.11Å |
| 79 | E | 60.2 | Low | 64.4 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.4 | -38.5 | 176.2 | -69.4 | -59.7 | 129.5 | 0 | 0 | 111.5 | N76 G81 R82 A83 | N76-E79 HydrophobicContact CB-CB 4.05Å; N76-E79 HydrophobicContact CB-CG 3.93Å; N76-E79 PolarHBondContact O-N 2.83Å; E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.27Å; E79-R82 PolarHBondContact O-N 2.92Å; E79-R82 IonicContact OE1-CZ 3.86Å; E79-R82 IonicContact OE1-NH1 2.97Å; E79-R82 PolarHBondContact OE1-NH1 3.41Å; E79-A83 WeakPolarHBondContact O-CB 3.39Å; E79-A83 PolarHBondContact O-N 2.86Å |
| 80 | F | 59.6 | Low | 65 | Low | 125 Ų | 125 | 116.6 Ų | 116.6 | 55% | 0.548 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.2 | -41.7 | 173.4 | -174.8 | -97.3 | 0 | 0 | 0 | 111.9 | F75 N76 P77 T84 | F75-F80 HydrophobicContact CE2-CB 3.97Å; F75-F80 HydrophobicContact CE2-CD2 4.28Å; F75-F80 HydrophobicContact CE2-CG 4.09Å; F75-F80 HydrophobicContact CZ-CB 4.41Å; N76-F80 PolarHBondContact O-N 2.73Å; P77-F80 PolarHBondContact O-N 3.01Å; F80-T84 WeakPolarHBondContact O-CB 3.4Å; F80-T84 PolarHBondContact O-N 2.99Å; F80-T84 PolarHBondContact O-OG1 3.1Å |
| 81 | G | 61.7 | Low | 65.8 | Low | 39 Ų | 39 | 118 Ų | 118 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.1 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | P77 K78 E79 K85 | P77-G81 PolarHBondContact O-N 3.43Å; K78-G81 PolarHBondContact O-N 3.49Å; E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.27Å; G81-K85 WeakPolarHBondContact O-CB 3.45Å; G81-K85 PolarHBondContact O-N 3.45Å |
| 82 | R | 63.9 | Low | 66.3 | Low | 161 Ų | 161 | 117 Ų | 117 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -52.6 | 175.3 | -73.5 | 173.4 | 175.6 | -175.6 | -7.9 | 112.3 | K78 E79 T84 K85 E86 | K78-R82 WeakPolarHBondContact O-CG 3.41Å; K78-R82 PolarHBondContact O-N 3.42Å; K78-R82 VanDerWaalsContact O-N 3.11Å; E79-R82 PolarHBondContact O-N 2.92Å; E79-R82 IonicContact OE1-CZ 3.86Å; E79-R82 IonicContact OE1-NH1 2.97Å; E79-R82 PolarHBondContact OE1-NH1 3.41Å; R82-T84 VanDerWaalsContact C-N 3.25Å; R82-T84 PolarHBondContact O-N 3.3Å; R82-K85 PolarHBondContact O-N 2.94Å; R82-K85 VanDerWaalsContact O-N 3.15Å; R82-E86 WeakPolarHBondContact O-CB 3.07Å; R82-E86 PolarHBondContact O-N 3.47Å |
| 83 | A | 64.9 | Low | 67 | Low | 56 Ų | 56 | 116.1 Ų | 116.1 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.7 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | E79 R87 | E79-A83 WeakPolarHBondContact O-CB 3.39Å; E79-A83 PolarHBondContact O-N 2.86Å; A83-R87 VanDerWaalsContact O-CB 3.32Å; A83-R87 WeakPolarHBondContact O-CB 3.19Å; A83-R87 PolarHBondContact O-N 3.15Å |
| 84 | T | 66.8 | Low | 68.1 | Low | 42 Ų | 42 | 107.6 Ų | 107.6 | 26% | 0.258 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -48.2 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | F80 R82 E86 R87 Y88 | F80-T84 WeakPolarHBondContact O-CB 3.4Å; F80-T84 PolarHBondContact O-N 2.99Å; F80-T84 PolarHBondContact O-OG1 3.1Å; R82-T84 VanDerWaalsContact C-N 3.25Å; R82-T84 PolarHBondContact O-N 3.3Å; T84-E86 VanDerWaalsContact C-N 3.35Å; T84-E86 PolarHBondContact O-N 2.95Å; T84-R87 PolarHBondContact O-N 3.14Å; T84-Y88 HydrophobicContact CG2-CD2 3.66Å; T84-Y88 HydrophobicContact CG2-CE2 3.3Å; T84-Y88 WeakPolarHBondContact O-CD2 3.34Å; T84-Y88 PolarHBondContact O-N 2.91Å |
| 85 | K | 66.7 | Low | 69.4 | Low | 162 Ų | 162 | 102.5 Ų | 102.5 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 176.6 | -172.9 | 177.1 | -178 | 178.6 | 0 | 112.2 | G81 R82 Y88 L89 | G81-K85 WeakPolarHBondContact O-CB 3.45Å; G81-K85 PolarHBondContact O-N 3.45Å; R82-K85 PolarHBondContact O-N 2.94Å; R82-K85 VanDerWaalsContact O-N 3.15Å; K85-Y88 PolarHBondContact O-N 2.92Å; K85-L89 WeakPolarHBondContact O-CB 3.32Å; K85-L89 PolarHBondContact O-N 3.29Å |
| 86 | E | 70.2 | Confident | 71 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 176.4 | -170.6 | -178.9 | 173 | 0 | 0 | 111.5 | R82 T84 Y88 L89 N90 | R82-E86 WeakPolarHBondContact O-CB 3.07Å; R82-E86 PolarHBondContact O-N 3.47Å; T84-E86 VanDerWaalsContact C-N 3.35Å; T84-E86 PolarHBondContact O-N 2.95Å; E86-Y88 PolarHBondContact O-N 3.28Å; E86-L89 PolarHBondContact O-N 3.33Å; E86-N90 WeakPolarHBondContact O-CB 3.41Å; E86-N90 PolarHBondContact O-N 2.89Å; E86-N90 PolarHBondContact O-ND2 2.85Å |
| 87 | R | 68.1 | Low | 72.2 | Confident | 196 Ų | 196 | 105 Ų | 105 | 74% | 0.74 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 176 | -163.2 | 179.8 | -171 | -178.1 | 4 | 112.3 | A83 T84 N90 Q91 | A83-R87 VanDerWaalsContact O-CB 3.32Å; A83-R87 WeakPolarHBondContact O-CB 3.19Å; A83-R87 PolarHBondContact O-N 3.15Å; T84-R87 PolarHBondContact O-N 3.14Å; R87-N90 PolarHBondContact O-N 2.9Å; R87-Q91 WeakPolarHBondContact O-CB 3.39Å; R87-Q91 PolarHBondContact O-N 2.93Å |
| 88 | Y | 70.9 | Confident | 73.5 | Confident | 159 Ų | 159 | 102.8 Ų | 102.8 | 62% | 0.624 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 175 | -78.5 | -65.1 | 0 | 0 | 0 | 112.1 | T84 K85 E86 Q91 A92 | T84-Y88 HydrophobicContact CG2-CD2 3.66Å; T84-Y88 HydrophobicContact CG2-CE2 3.3Å; T84-Y88 WeakPolarHBondContact O-CD2 3.34Å; T84-Y88 PolarHBondContact O-N 2.91Å; K85-Y88 PolarHBondContact O-N 2.92Å; E86-Y88 PolarHBondContact O-N 3.28Å; Y88-Q91 PolarHBondContact O-N 3.47Å; Y88-A92 WeakPolarHBondContact O-CB 3.43Å; Y88-A92 PolarHBondContact O-N 2.97Å |
| 89 | L | 75.2 | Confident | 74.8 | Confident | 110 Ų | 110 | 100.8 Ų | 100.8 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -45 | 176.8 | -174.6 | 63.2 | 0 | 0 | 0 | 111.1 | K85 E86 Q91 A92 T93 | K85-L89 WeakPolarHBondContact O-CB 3.32Å; K85-L89 PolarHBondContact O-N 3.29Å; E86-L89 PolarHBondContact O-N 3.33Å; L89-Q91 VanDerWaalsContact C-N 3.31Å; L89-Q91 PolarHBondContact O-N 3.41Å; L89-A92 PolarHBondContact O-N 3.02Å; L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.93Å; L89-T93 PolarHBondContact O-OG1 3.47Å |
| 90 | N | 78.4 | Confident | 76.2 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 176.9 | -70.8 | -18.2 | 0 | 0 | 0 | 112.5 | E86 R87 T93 A94 | E86-N90 WeakPolarHBondContact O-CB 3.41Å; E86-N90 PolarHBondContact O-N 2.89Å; E86-N90 PolarHBondContact O-ND2 2.85Å; R87-N90 PolarHBondContact O-N 2.9Å; N90-T93 WeakPolarHBondContact CA-OG1 3.46Å; N90-T93 PolarHBondContact O-OG1 2.98Å; N90-A94 VanDerWaalsContact O-CB 3.22Å; N90-A94 WeakPolarHBondContact O-CB 3.49Å; N90-A94 PolarHBondContact O-N 2.78Å |
| 91 | Q | 81.8 | Confident | 77.6 | Confident | 132 Ų | 132 | 96.3 Ų | 96.3 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 174.8 | -171.5 | 171.5 | 7.9 | 0 | 0 | 111.9 | R87 Y88 L89 A94 A95 | R87-Q91 WeakPolarHBondContact O-CB 3.39Å; R87-Q91 PolarHBondContact O-N 2.93Å; Y88-Q91 PolarHBondContact O-N 3.47Å; L89-Q91 VanDerWaalsContact C-N 3.31Å; L89-Q91 PolarHBondContact O-N 3.41Å; Q91-A94 PolarHBondContact O-N 3.08Å; Q91-A95 WeakPolarHBondContact O-CB 3.43Å; Q91-A95 PolarHBondContact O-N 3.33Å |
| 92 | A | 80.3 | Confident | 79 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y88 L89 A95 K96 | Y88-A92 WeakPolarHBondContact O-CB 3.43Å; Y88-A92 PolarHBondContact O-N 2.97Å; L89-A92 PolarHBondContact O-N 3.02Å; A92-A95 PolarHBondContact O-N 2.89Å; A92-K96 WeakPolarHBondContact O-CB 3.34Å; A92-K96 PolarHBondContact O-N 3.16Å |
| 93 | T | 83.1 | Confident | 80.5 | Confident | 75 Ų | 75 | 96.3 Ų | 96.3 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 175.3 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | L89 N90 A95 K96 A97 | L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.93Å; L89-T93 PolarHBondContact O-OG1 3.47Å; N90-T93 WeakPolarHBondContact CA-OG1 3.46Å; N90-T93 PolarHBondContact O-OG1 2.98Å; T93-A95 VanDerWaalsContact C-N 3.35Å; T93-A95 PolarHBondContact O-N 3.38Å; T93-K96 PolarHBondContact O-N 3.07Å; T93-A97 WeakPolarHBondContact O-CB 3.32Å; T93-A97 PolarHBondContact O-N 3.39Å |
| 94 | A | 80.7 | Confident | 81.9 | Confident | 62 Ų | 62 | 100 Ų | 100 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N90 Q91 A97 G98 | N90-A94 VanDerWaalsContact O-CB 3.22Å; N90-A94 WeakPolarHBondContact O-CB 3.49Å; N90-A94 PolarHBondContact O-N 2.78Å; Q91-A94 PolarHBondContact O-N 3.08Å; A94-A97 PolarHBondContact O-N 3.07Å; A94-G98 PolarHBondContact O-N 3.07Å |
| 95 | A | 86.3 | Confident | 83 | Confident | 58 Ų | 58 | 103.4 Ų | 103.4 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q91 A92 T93 A97 G98 L99 | Q91-A95 WeakPolarHBondContact O-CB 3.43Å; Q91-A95 PolarHBondContact O-N 3.33Å; A92-A95 PolarHBondContact O-N 2.89Å; T93-A95 VanDerWaalsContact C-N 3.35Å; T93-A95 PolarHBondContact O-N 3.38Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.13Å; A95-G98 PolarHBondContact O-N 3.13Å; A95-L99 WeakPolarHBondContact O-CG 3.22Å; A95-L99 PolarHBondContact O-N 3.35Å |
| 96 | K | 86.7 | Confident | 84.2 | Confident | 162 Ų | 162 | 102.4 Ų | 102.4 | 70% | 0.704 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.3 | -40.2 | 175.6 | -175.4 | 174.1 | 180 | 176.2 | 0 | 112.2 | A92 T93 L99 N100 | A92-K96 WeakPolarHBondContact O-CB 3.34Å; A92-K96 PolarHBondContact O-N 3.16Å; T93-K96 PolarHBondContact O-N 3.07Å; K96-L99 PolarHBondContact O-N 2.89Å; K96-N100 WeakPolarHBondContact O-CB 3.44Å; K96-N100 PolarHBondContact O-N 2.74Å |
| 97 | A | 84.6 | Confident | 85.5 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T93 A94 A95 N100 A101 | T93-A97 WeakPolarHBondContact O-CB 3.32Å; T93-A97 PolarHBondContact O-N 3.39Å; A94-A97 PolarHBondContact O-N 3.07Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.13Å; A97-N100 PolarHBondContact O-N 2.82Å; A97-A101 PolarHBondContact O-N 2.92Å |
| 98 | G | 89.4 | Confident | 86.7 | Confident | 37 Ų | 37 | 94.3 Ų | 94.3 | 38% | 0.381 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A94 A95 N100 A101 L102 | A94-G98 PolarHBondContact O-N 3.07Å; A95-G98 PolarHBondContact O-N 3.13Å; G98-N100 PolarHBondContact O-N 3.18Å; G98-A101 WeakPolarHBondContact O-CB 3.37Å; G98-A101 PolarHBondContact O-N 3.39Å; G98-L102 PolarHBondContact O-N 3.22Å |
| 99 | L | 90.9 | Very high | 87.8 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 176.1 | -69.4 | 175.2 | 0 | 0 | 0 | 112.4 | A95 K96 A101 L102 R103 | A95-L99 WeakPolarHBondContact O-CG 3.22Å; A95-L99 PolarHBondContact O-N 3.35Å; K96-L99 PolarHBondContact O-N 2.89Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 3Å; L99-L102 HydrophobicContact CD2-CD1 4.49Å; L99-L102 PolarHBondContact O-N 2.81Å; L99-R103 PolarHBondContact O-N 2.93Å |
| 100 | N | 90 | Very high | 88.7 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 175.9 | -170.4 | 29.8 | 0 | 0 | 0 | 112.1 | K96 A97 G98 R103 K104 | K96-N100 WeakPolarHBondContact O-CB 3.44Å; K96-N100 PolarHBondContact O-N 2.74Å; A97-N100 PolarHBondContact O-N 2.82Å; G98-N100 PolarHBondContact O-N 3.18Å; N100-R103 PolarHBondContact O-N 3.4Å; N100-R103 PolarHBondContact OD1-NE 3.16Å; N100-R103 PolarHBondContact OD1-NH2 3.23Å; N100-K104 WeakPolarHBondContact O-CG 3.49Å; N100-K104 PolarHBondContact O-N 3.42Å |
| 101 | A | 88.7 | Confident | 89.6 | Confident | 49 Ų | 49 | 87 Ų | 87 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A97 G98 L99 K104 I105 | A97-A101 PolarHBondContact O-N 2.92Å; G98-A101 WeakPolarHBondContact O-CB 3.37Å; G98-A101 PolarHBondContact O-N 3.39Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 3Å; A101-K104 WeakPolarHBondContact O-CB 3.34Å; A101-K104 PolarHBondContact O-N 2.91Å; A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.1Å |
| 102 | L | 91.2 | Very high | 90.2 | Very high | 89 Ų | 89 | 85 Ų | 85 | 47% | 0.466 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 173.7 | -70.2 | 173.2 | 0 | 0 | 0 | 111.9 | G98 L99 K104 I105 Y106 | G98-L102 PolarHBondContact O-N 3.22Å; L99-L102 HydrophobicContact CD2-CD1 4.49Å; L99-L102 PolarHBondContact O-N 2.81Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.46Å; L102-I105 WeakPolarHBondContact O-CB 3.49Å; L102-I105 PolarHBondContact O-N 2.97Å; L102-Y106 HydrophobicContact CD2-CE2 4.45Å; L102-Y106 VanDerWaalsContact O-CD2 3.24Å; L102-Y106 WeakPolarHBondContact O-CD2 3.26Å; L102-Y106 PolarHBondContact O-N 3.43Å |
| 103 | R | 96.2 | Very high | 91 | Very high | 112 Ų | 112 | 88.4 Ų | 88.4 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -54.3 | -44.6 | 174.2 | -176.9 | -151.9 | 61.5 | 85 | -3.4 | 111.3 | L99 N100 I105 Y106 Q107 | L99-R103 PolarHBondContact O-N 2.93Å; N100-R103 PolarHBondContact O-N 3.4Å; N100-R103 PolarHBondContact OD1-NE 3.16Å; N100-R103 PolarHBondContact OD1-NH2 3.23Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 2.96Å; R103-Y106 PolarHBondContact O-N 2.95Å; R103-Q107 WeakPolarHBondContact O-CB 3.37Å; R103-Q107 PolarHBondContact O-N 3.43Å |
| 104 | K | 93 | Very high | 91.6 | Very high | 132 Ų | 132 | 88.2 Ų | 88.2 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | 177.7 | -74 | 178.9 | 179.3 | -173.2 | 0 | 112.7 | N100 A101 L102 | N100-K104 WeakPolarHBondContact O-CG 3.49Å; N100-K104 PolarHBondContact O-N 3.42Å; A101-K104 WeakPolarHBondContact O-CB 3.34Å; A101-K104 PolarHBondContact O-N 2.91Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.46Å |
| 105 | I | 91 | Very high | 92.3 | Very high | 115 Ų | 115 | 92.4 Ų | 92.4 | 59% | 0.59 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 178.4 | -68.3 | 161.6 | 0 | 0 | 0 | 110.9 | A101 L102 R103 P108 | A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.1Å; L102-I105 WeakPolarHBondContact O-CB 3.49Å; L102-I105 PolarHBondContact O-N 2.97Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 2.96Å; I105-P108 WeakPolarHBondContact O-CD 3.43Å |
| 106 | Y | 92.1 | Very high | 92.8 | Very high | 140 Ų | 140 | 95 Ų | 95 | 55% | 0.549 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -87.8 | -17.9 | -176.5 | -69 | -69 | 0 | 0 | 0 | 114.7 | L102 R103 P108 A109 I110 | L102-Y106 HydrophobicContact CD2-CE2 4.45Å; L102-Y106 VanDerWaalsContact O-CD2 3.24Å; L102-Y106 WeakPolarHBondContact O-CD2 3.26Å; L102-Y106 PolarHBondContact O-N 3.43Å; R103-Y106 PolarHBondContact O-N 2.95Å; Y106-P108 VanDerWaalsContact C-CD 3.41Å; Y106-P108 VanDerWaalsContact C-N 3.34Å; Y106-A109 PolarHBondContact O-N 2.89Å; Y106-A109 VanDerWaalsContact O-N 3.12Å; Y106-I110 WeakPolarHBondContact O-CG1 3.37Å; Y106-I110 PolarHBondContact O-N 2.71Å |
| 107 | Q | 97.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 91 Ų | 91 | 27% | 0.266 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -51.5 | -41.9 | -177.9 | -167.5 | 71 | 62.8 | 0 | 0 | 114.2 | R103 I110 N111 | R103-Q107 WeakPolarHBondContact O-CB 3.37Å; R103-Q107 PolarHBondContact O-N 3.43Å; Q107-I110 PolarHBondContact O-N 3.27Å; Q107-N111 PolarHBondContact NE2-OD1 2.72Å; Q107-N111 WeakPolarHBondContact O-CB 3.38Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 PolarHBondContact O-OD1 3.07Å |
| 108 | P | 93.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 89.4 Ų | 89.4 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 178.9 | -22.5 | 34.9 | 0 | 0 | 0 | 113 | I105 Y106 N111 E112 | I105-P108 WeakPolarHBondContact O-CD 3.43Å; Y106-P108 VanDerWaalsContact C-CD 3.41Å; Y106-P108 VanDerWaalsContact C-N 3.34Å; P108-N111 PolarHBondContact O-N 2.94Å; P108-E112 PolarHBondContact O-N 3.49Å |
| 109 | A | 92.5 | Very high | 93.9 | Very high | 54 Ų | 54 | 92.1 Ų | 92.1 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y106 N111 E112 E113 | Y106-A109 PolarHBondContact O-N 2.89Å; Y106-A109 VanDerWaalsContact O-N 3.12Å; A109-N111 VanDerWaalsContact C-N 3.3Å; A109-N111 PolarHBondContact O-N 3.24Å; A109-E112 PolarHBondContact O-N 3.02Å; A109-E112 VanDerWaalsContact O-N 3.14Å; A109-E113 PolarHBondContact O-N 2.62Å; A109-E113 VanDerWaalsContact O-N 3.11Å |
| 110 | I | 95.2 | Very high | 94.1 | Very high | 73 Ų | 73 | 93.8 Ų | 93.8 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.6 | -66.7 | 167.8 | 0 | 0 | 0 | 110.9 | Y106 Q107 E112 E113 I114 | Y106-I110 WeakPolarHBondContact O-CG1 3.37Å; Y106-I110 PolarHBondContact O-N 2.71Å; Q107-I110 PolarHBondContact O-N 3.27Å; I110-E112 VanDerWaalsContact C-N 3.28Å; I110-E112 PolarHBondContact O-N 3.44Å; I110-E113 PolarHBondContact O-N 2.85Å; I110-I114 HydrophobicContact CG2-CD1 3.65Å; I110-I114 HydrophobicContact CG2-CG1 4.3Å; I110-I114 WeakPolarHBondContact O-CB 3.38Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.48Å; I110-I114 PolarHBondContact O-N 3.36Å |
| 111 | N | 96.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 96.2 Ų | 96.2 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -35.2 | 179.2 | -75.2 | -1.2 | 0 | 0 | 0 | 112.5 | Q107 P108 A109 R115 | Q107-N111 PolarHBondContact NE2-OD1 2.72Å; Q107-N111 WeakPolarHBondContact O-CB 3.38Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 PolarHBondContact O-OD1 3.07Å; P108-N111 PolarHBondContact O-N 2.94Å; A109-N111 VanDerWaalsContact C-N 3.3Å; A109-N111 PolarHBondContact O-N 3.24Å; N111-R115 WeakPolarHBondContact O-CB 3.46Å; N111-R115 PolarHBondContact O-N 2.86Å |
| 112 | E | 95.7 | Very high | 94.6 | Very high | 91 Ų | 91 | 94 Ų | 94 | 43% | 0.425 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.7 | -43.2 | 178.5 | -165.7 | 57.5 | -160.6 | 0 | 0 | 111.4 | P108 A109 I110 I114 R115 E116 | P108-E112 PolarHBondContact O-N 3.49Å; A109-E112 PolarHBondContact O-N 3.02Å; A109-E112 VanDerWaalsContact O-N 3.14Å; I110-E112 VanDerWaalsContact C-N 3.28Å; I110-E112 PolarHBondContact O-N 3.44Å; E112-I114 PolarHBondContact O-N 3.15Å; E112-R115 WeakPolarHBondContact O-CB 3.46Å; E112-R115 PolarHBondContact O-N 3.35Å; E112-R115 VanDerWaalsContact O-N 3.17Å; E112-R115 IonicContact OE2-NE 3.11Å; E112-R115 PolarHBondContact OE2-NE 3.48Å; E112-R115 VanDerWaalsContact OE2-NE 3.11Å; E112-E116 PolarHBondContact O-N 3.13Å |
| 113 | E | 96.6 | Very high | 94.7 | Very high | 129 Ų | 129 | 94.1 Ų | 94.1 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.9 | -42.4 | 173.7 | -68.6 | 179.8 | -138.8 | 0 | 0 | 112 | A109 I110 R115 E116 V117 | A109-E113 PolarHBondContact O-N 2.62Å; A109-E113 VanDerWaalsContact O-N 3.11Å; I110-E113 PolarHBondContact O-N 2.85Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 2.91Å; E113-E116 PolarHBondContact O-N 3.11Å; E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 3.24Å; E113-V117 VanDerWaalsContact O-N 3.07Å |
| 114 | I | 96.2 | Very high | 94.6 | Very high | 70 Ų | 70 | 94.3 Ų | 94.3 | 36% | 0.359 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.5 | -70.6 | 169.2 | 0 | 0 | 0 | 110.4 | I110 E112 V117 V118 L154 | I110-I114 HydrophobicContact CG2-CD1 3.65Å; I110-I114 HydrophobicContact CG2-CG1 4.3Å; I110-I114 WeakPolarHBondContact O-CB 3.38Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.48Å; I110-I114 PolarHBondContact O-N 3.36Å; E112-I114 PolarHBondContact O-N 3.15Å; I114-V117 PolarHBondContact O-N 2.91Å; I114-V118 HydrophobicContact CG2-CG2 4.23Å; I114-V118 WeakPolarHBondContact O-CB 3.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.26Å; I114-V118 PolarHBondContact O-N 3.24Å; I114-L154 HydrophobicContact CG2-CD2 3.72Å |
| 115 | R | 95.6 | Very high | 94.7 | Very high | 151 Ų | 151 | 94 Ų | 94 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.5 | -48.6 | 178 | -175.4 | -164.2 | -53.9 | -75.2 | -4.2 | 110.9 | N111 E112 E113 V117 V118 Q119 | N111-R115 WeakPolarHBondContact O-CB 3.46Å; N111-R115 PolarHBondContact O-N 2.86Å; E112-R115 WeakPolarHBondContact O-CB 3.46Å; E112-R115 PolarHBondContact O-N 3.35Å; E112-R115 VanDerWaalsContact O-N 3.17Å; E112-R115 IonicContact OE2-NE 3.11Å; E112-R115 PolarHBondContact OE2-NE 3.48Å; E112-R115 VanDerWaalsContact OE2-NE 3.11Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 2.91Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 2.83Å; R115-V118 PolarHBondContact O-N 2.92Å; R115-Q119 WeakPolarHBondContact O-CB 3.43Å; R115-Q119 PolarHBondContact O-N 3.44Å |
| 116 | E | 95.2 | Very high | 94.8 | Very high | 112 Ų | 112 | 92 Ų | 92 | 52% | 0.523 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 179.4 | -72.8 | -175.2 | 178.4 | 0 | 0 | 112.4 | E112 E113 R120 | E112-E116 PolarHBondContact O-N 3.13Å; E113-E116 PolarHBondContact O-N 3.11Å; E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 3.18Å; E116-R120 VanDerWaalsContact O-N 3.1Å |
| 117 | V | 95.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 86.3 Ų | 86.3 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.6 | -51.3 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | E113 I114 R115 Q119 R120 Y121 | E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 3.24Å; E113-V117 VanDerWaalsContact O-N 3.07Å; I114-V117 PolarHBondContact O-N 2.91Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 2.83Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 3.22Å; V117-R120 PolarHBondContact O-N 3.46Å; V117-Y121 HydrophobicContact CG1-CD2 4.38Å; V117-Y121 HydrophobicContact CG1-CE2 4.41Å; V117-Y121 WeakPolarHBondContact O-CD2 2.8Å; V117-Y121 PolarHBondContact O-N 2.94Å |
| 118 | V | 94.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 86.8 Ų | 86.8 | 18% | 0.176 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | -179.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | I114 R115 R120 Y121 A122 C150 L154 | I114-V118 HydrophobicContact CG2-CG2 4.23Å; I114-V118 WeakPolarHBondContact O-CB 3.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.26Å; I114-V118 PolarHBondContact O-N 3.24Å; R115-V118 PolarHBondContact O-N 2.92Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.37Å; V118-Y121 PolarHBondContact O-N 2.91Å; V118-A122 VanDerWaalsContact O-CB 3.29Å; V118-A122 WeakPolarHBondContact O-CB 3.45Å; V118-A122 PolarHBondContact O-N 2.84Å; V118-C150 HydrophobicContact CG1-CB 3.83Å; V118-L154 HydrophobicContact CG2-CD2 4.12Å |
| 119 | Q | 95.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 85.2 Ų | 85.2 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 179.5 | -172.4 | 61.2 | 42 | 0 | 0 | 111.8 | R115 V117 Y121 A122 D123 | R115-Q119 WeakPolarHBondContact O-CB 3.43Å; R115-Q119 PolarHBondContact O-N 3.44Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 3.22Å; Q119-Y121 PolarHBondContact O-N 2.76Å; Q119-A122 WeakPolarHBondContact O-CB 3.34Å; Q119-A122 PolarHBondContact O-N 2.97Å; Q119-D123 PolarHBondContact NE2-OD1 2.72Å; Q119-D123 PolarHBondContact NE2-OD2 3.25Å; Q119-D123 PolarHBondContact O-N 3.35Å |
| 120 | R | 93.6 | Very high | 94.5 | Very high | 157 Ų | 157 | 83.1 Ų | 83.1 | 59% | 0.592 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58 | -48 | 177.8 | -171.3 | -173.1 | -53.8 | -172.2 | 2.9 | 112.3 | E116 V117 V118 Q124 | E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 3.18Å; E116-R120 VanDerWaalsContact O-N 3.1Å; V117-R120 PolarHBondContact O-N 3.46Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.37Å; R120-Q124 VanDerWaalsContact O-CB 3.29Å; R120-Q124 WeakPolarHBondContact O-CB 3.06Å; R120-Q124 PolarHBondContact O-N 2.88Å; R120-Q124 VanDerWaalsContact O-N 3.13Å |
| 121 | Y | 95.4 | Very high | 94.3 | Very high | 126 Ų | 126 | 87.3 Ų | 87.3 | 49% | 0.494 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.7 | -32.2 | 177.4 | -77.3 | -87 | 0 | 0 | 0 | 112.3 | V117 V118 Q119 Y125 F126 | V117-Y121 HydrophobicContact CG1-CD2 4.38Å; V117-Y121 HydrophobicContact CG1-CE2 4.41Å; V117-Y121 WeakPolarHBondContact O-CD2 2.8Å; V117-Y121 PolarHBondContact O-N 2.94Å; V118-Y121 PolarHBondContact O-N 2.91Å; Q119-Y121 PolarHBondContact O-N 2.76Å; Y121-Y125 AromaticContact CD1-CD2 3.64Å; Y121-Y125 HydrophobicContact CD1-CD2 3.64Å; Y121-Y125 AromaticContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CE1-CD2 4.4Å; Y121-Y125 AromaticContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CG-CD2 4.45Å; Y121-Y125 PolarHBondContact O-N 2.92Å; Y121-F126 PolarHBondContact O-N 2.88Å |
| 122 | A | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.008 | 42% | 0.415 | C | S | . | . | I | π-helix | trans | -58.3 | -51.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V118 Q119 F126 A127 L146 | V118-A122 VanDerWaalsContact O-CB 3.29Å; V118-A122 WeakPolarHBondContact O-CB 3.45Å; V118-A122 PolarHBondContact O-N 2.84Å; Q119-A122 WeakPolarHBondContact O-CB 3.34Å; Q119-A122 PolarHBondContact O-N 2.97Å; A122-F126 PolarHBondContact O-N 3.24Å; A122-A127 VanDerWaalsContact O-CB 3.25Å; A122-A127 WeakPolarHBondContact O-CB 3.47Å; A122-A127 PolarHBondContact O-N 2.91Å; A122-L146 HydrophobicContact CB-CD1 4.28Å |
| 123 | D | 93.4 | Very high | 93.9 | Very high | 93 Ų | 93 | 86.7 Ų | 86.7 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | I | π-helix | trans | -69.9 | -38 | -177.8 | -67.1 | -30.1 | 0 | 0 | 0 | 112.6 | Q119 | Q119-D123 PolarHBondContact NE2-OD1 2.72Å; Q119-D123 PolarHBondContact NE2-OD2 3.25Å; Q119-D123 PolarHBondContact O-N 3.35Å |
| 124 | Q | 93.4 | Very high | 93.5 | Very high | 115 Ų | 115 | 82 Ų | 82 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | I | π-helix | trans | -77.2 | -35.9 | -175 | -170.9 | 173.4 | 5.7 | 0 | 0 | 113.5 | R120 | R120-Q124 VanDerWaalsContact O-CB 3.29Å; R120-Q124 WeakPolarHBondContact O-CB 3.06Å; R120-Q124 PolarHBondContact O-N 2.88Å; R120-Q124 VanDerWaalsContact O-N 3.13Å |
| 125 | Y | 94.6 | Very high | 93.1 | Very high | 126 Ų | 126 | 85.4 Ų | 85.4 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | I | π-helix | trans | -126 | -50.3 | -170.3 | -56.7 | -79.1 | 0 | 0 | 0 | 113.4 | Y121 A129 | Y121-Y125 AromaticContact CD1-CD2 3.64Å; Y121-Y125 HydrophobicContact CD1-CD2 3.64Å; Y121-Y125 AromaticContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CE1-CD2 4.4Å; Y121-Y125 AromaticContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CG-CD2 4.45Å; Y121-Y125 PolarHBondContact O-N 2.92Å; Y125-A129 PolarHBondContact O-N 3.25Å |
| 126 | F | 94.3 | Very high | 92.8 | Very high | 72 Ų | 72 | 84 Ų | 84 | 32% | 0.316 | 41% | 0.412 | S | S | . | . | I | π-helix | trans | -77.3 | -39.8 | -171.3 | -59.6 | -61.3 | 0 | 0 | 0 | 113 | Y121 A122 A129 V130 L146 V149 V153 | Y121-F126 PolarHBondContact O-N 2.88Å; A122-F126 PolarHBondContact O-N 3.24Å; F126-A129 PolarHBondContact O-N 3.3Å; F126-V130 WeakPolarHBondContact O-CB 3.44Å; F126-V130 VanDerWaalsContact O-CG2 3.25Å; F126-V130 WeakPolarHBondContact O-CG2 3.48Å; F126-V130 PolarHBondContact O-N 3.08Å; F126-L146 HydrophobicContact CB-CD1 3.65Å; F126-V149 HydrophobicContact CD1-CG1 3.71Å; F126-V149 HydrophobicContact CD2-CG1 4.36Å; F126-V149 HydrophobicContact CE1-CG1 3.82Å; F126-V149 HydrophobicContact CE2-CG1 4.47Å; F126-V149 HydrophobicContact CG-CG1 4Å; F126-V149 HydrophobicContact CZ-CG1 4.22Å; F126-V153 HydrophobicContact CE2-CG2 4.39Å; F126-V153 HydrophobicContact CZ-CG2 4.3Å |
| 127 | A | 92.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 82 Ų | 82 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A122 R131 | A122-A127 VanDerWaalsContact O-CB 3.25Å; A122-A127 WeakPolarHBondContact O-CB 3.47Å; A122-A127 PolarHBondContact O-N 2.91Å; A127-R131 VanDerWaalsContact O-CB 3.3Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 PolarHBondContact O-N 3.48Å |
| 128 | P | 91.3 | Very high | 91.8 | Very high | 66 Ų | 66 | 85.8 Ų | 85.8 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 170.4 | -24.2 | 34.3 | 0 | 0 | 0 | 113.1 | R131 N132 | P128-R131 PolarHBondContact O-N 3.39Å; P128-N132 PolarHBondContact O-N 2.98Å |
| 129 | A | 92.7 | Very high | 91.1 | Very high | 54 Ų | 54 | 88.6 Ų | 88.6 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y125 F126 N132 V133 | Y125-A129 PolarHBondContact O-N 3.25Å; F126-A129 PolarHBondContact O-N 3.3Å; A129-N132 WeakPolarHBondContact O-CB 2.9Å; A129-N132 PolarHBondContact O-N 2.92Å; A129-V133 WeakPolarHBondContact O-CG2 3.39Å; A129-V133 PolarHBondContact O-N 3.49Å |
| 130 | V | 93.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 86.6 Ų | 86.6 | 7% | 0.067 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 176.2 | 167.5 | 0 | 0 | 0 | 0 | 111 | F126 N132 V133 C134 S142 L145 L146 | F126-V130 WeakPolarHBondContact O-CB 3.44Å; F126-V130 VanDerWaalsContact O-CG2 3.25Å; F126-V130 WeakPolarHBondContact O-CG2 3.48Å; F126-V130 PolarHBondContact O-N 3.08Å; V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 PolarHBondContact O-N 3.41Å; V130-V133 PolarHBondContact O-N 3.33Å; V130-C134 PolarHBondContact O-N 3.48Å; V130-C134 PolarHBondContact O-SG 3.33Å; V130-C134 VanDerWaalsContact O-SG 3.33Å; V130-S142 VanDerWaalsContact CG1-O 3.31Å; V130-S142 WeakPolarHBondContact CG1-O 3.43Å; V130-L145 HydrophobicContact CG1-CB 4.2Å; V130-L145 HydrophobicContact CG1-CD2 4.18Å; V130-L145 HydrophobicContact CG1-CG 4.39Å; V130-L145 HydrophobicContact CG2-CD2 4.25Å; V130-L145 HydrophobicContact CG2-CG 4.18Å; V130-L146 HydrophobicContact CG2-CD1 4.38Å |
| 131 | R | 91.1 | Very high | 89.8 | Confident | 161 Ų | 161 | 81.9 Ų | 81.9 | 61% | 0.608 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 174.5 | -172.9 | -173.9 | -56.2 | 170.9 | 3.6 | 111.3 | A127 P128 C134 Q135 | A127-R131 VanDerWaalsContact O-CB 3.3Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 PolarHBondContact O-N 3.48Å; P128-R131 PolarHBondContact O-N 3.39Å; R131-C134 PolarHBondContact O-N 3.01Å; R131-Q135 VanDerWaalsContact O-CG 3.3Å; R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 3.22Å |
| 132 | N | 90.6 | Very high | 89.3 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.7 | -170.7 | 16.2 | 0 | 0 | 0 | 111.5 | P128 A129 V130 Q135 N136 | P128-N132 PolarHBondContact O-N 2.98Å; A129-N132 WeakPolarHBondContact O-CB 2.9Å; A129-N132 PolarHBondContact O-N 2.92Å; V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 PolarHBondContact O-N 3.41Å; N132-Q135 PolarHBondContact O-N 2.92Å; N132-N136 PolarHBondContact O-N 3.37Å; N132-N136 PolarHBondContact O-ND2 3.04Å; N132-N136 PolarHBondContact OD1-ND2 3.13Å |
| 133 | V | 91.9 | Very high | 89 | Confident | 62 Ų | 62 | 84.6 Ų | 84.6 | 38% | 0.376 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 174.7 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A129 V130 Q135 N136 V137 L145 | A129-V133 WeakPolarHBondContact O-CG2 3.39Å; A129-V133 PolarHBondContact O-N 3.49Å; V130-V133 PolarHBondContact O-N 3.33Å; V133-Q135 PolarHBondContact O-N 3.01Å; V133-N136 PolarHBondContact O-N 2.92Å; V133-V137 HydrophobicContact CG1-CB 4.47Å; V133-V137 HydrophobicContact CG1-CG2 4.16Å; V133-V137 WeakPolarHBondContact O-CB 3.46Å; V133-V137 PolarHBondContact O-N 3.29Å; V133-L145 HydrophobicContact CB-CD2 4.43Å; V133-L145 HydrophobicContact CG1-CD2 4Å |
| 134 | C | 88.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 86.7 Ų | 86.7 | 22% | 0.216 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.6 | -23.6 | -179.9 | -67.3 | 0 | 0 | 0 | 0 | 113.9 | V130 R131 T140 S142 | V130-C134 PolarHBondContact O-N 3.48Å; V130-C134 PolarHBondContact O-SG 3.33Å; V130-C134 VanDerWaalsContact O-SG 3.33Å; R131-C134 PolarHBondContact O-N 3.01Å; C134-T140 WeakPolarHBondContact CA-OG1 3.35Å; C134-T140 PolarHBondContact SG-O 3.39Å; C134-T140 PolarHBondContact SG-OG1 2.83Å; C134-S142 WeakPolarHBondContact SG-CA 3.28Å |
| 135 | Q | 88.4 | Confident | 88.9 | Confident | 141 Ų | 141 | 84 Ų | 84 | 66% | 0.659 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -75.3 | -27.5 | 172.8 | -76.7 | 175 | -14.8 | 0 | 0 | 112.7 | R131 N132 V133 | R131-Q135 VanDerWaalsContact O-CG 3.3Å; R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 3.22Å; N132-Q135 PolarHBondContact O-N 2.92Å; V133-Q135 PolarHBondContact O-N 3.01Å |
| 136 | N | 89.1 | Confident | 88.9 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 64% | 0.642 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -102.8 | -15.5 | -176.7 | -67 | -63.3 | 0 | 0 | 0 | 113.5 | N132 V133 | N132-N136 PolarHBondContact O-N 3.37Å; N132-N136 PolarHBondContact O-ND2 3.04Å; N132-N136 PolarHBondContact OD1-ND2 3.13Å; V133-N136 PolarHBondContact O-N 2.92Å |
| 137 | V | 87.6 | Confident | 88.9 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 42% | 0.424 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -125.3 | 106.1 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | V133 T140 | V133-V137 HydrophobicContact CG1-CB 4.47Å; V133-V137 HydrophobicContact CG1-CG2 4.16Å; V133-V137 WeakPolarHBondContact O-CB 3.46Å; V133-V137 PolarHBondContact O-N 3.29Å; V137-T140 HydrophobicContact CB-CG2 4.24Å; V137-T140 HydrophobicContact CG1-CG2 3.74Å; V137-T140 PolarHBondContact O-OG1 2.84Å |
| 138 | D | 81.5 | Confident | 89 | Confident | 158 Ų | 158 | 84.6 Ų | 84.6 | 85% | 0.845 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 140.3 | 177.2 | -65.9 | -37.6 | 0 | 0 | 0 | 111.9 | ||
| 139 | G | 79.7 | Confident | 89.2 | Confident | 88 Ų | 88 | 83.3 Ų | 83.3 | 91% | 0.907 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 140 | T | 81.2 | Confident | 89.3 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 32% | 0.319 | 45% | 0.45 | S | S | . | . | trans | -89 | 123.7 | 175.5 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | C134 V137 | C134-T140 WeakPolarHBondContact CA-OG1 3.35Å; C134-T140 PolarHBondContact SG-O 3.39Å; C134-T140 PolarHBondContact SG-OG1 2.83Å; V137-T140 HydrophobicContact CB-CG2 4.24Å; V137-T140 HydrophobicContact CG1-CG2 3.74Å; V137-T140 PolarHBondContact O-OG1 2.84Å | ||
| 141 | C | 81.2 | Confident | 89.4 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | trans | -82.3 | 119.9 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | Q143 Q144 L145 | C141-Q143 VanDerWaalsContact C-N 3.28Å; C141-Q143 PolarHBondContact O-N 3.35Å; C141-Q144 HydrophobicContact CB-CB 4.09Å; C141-Q144 HydrophobicContact CB-CG 3.99Å; C141-Q144 PolarHBondContact O-N 2.91Å; C141-L145 PolarHBondContact O-N 2.85Å; C141-L145 VanDerWaalsContact O-N 3.08Å | ||
| 142 | S | 84.6 | Confident | 89.7 | Confident | 54 Ų | 54 | 85.3 Ų | 85.3 | 38% | 0.378 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.2 | -40.7 | -179.3 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | V130 C134 L146 | V130-S142 VanDerWaalsContact CG1-O 3.31Å; V130-S142 WeakPolarHBondContact CG1-O 3.43Å; C134-S142 WeakPolarHBondContact SG-CA 3.28Å; S142-L146 VanDerWaalsContact O-CB 3.26Å; S142-L146 WeakPolarHBondContact O-CB 3.49Å; S142-L146 PolarHBondContact O-N 3.11Å |
| 143 | Q | 88.8 | Confident | 89.9 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 61% | 0.607 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.1 | -39.6 | -178.6 | -67.2 | -63.4 | -18.7 | 0 | 0 | 112.7 | C141 H147 | C141-Q143 VanDerWaalsContact C-N 3.28Å; C141-Q143 PolarHBondContact O-N 3.35Å; Q143-H147 WeakPolarHBondContact O-CB 3.36Å; Q143-H147 PolarHBondContact O-N 3.48Å |
| 144 | Q | 91.2 | Very high | 90.1 | Very high | 137 Ų | 137 | 84.7 Ų | 84.7 | 64% | 0.64 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.2 | -41.8 | 178.7 | -68.9 | 179.5 | -36.1 | 0 | 0 | 111.5 | C141 H147 T148 | C141-Q144 HydrophobicContact CB-CB 4.09Å; C141-Q144 HydrophobicContact CB-CG 3.99Å; C141-Q144 PolarHBondContact O-N 2.91Å; Q144-H147 PolarHBondContact O-N 2.89Å; Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 2.9Å; Q144-T148 PolarHBondContact O-OG1 3.29Å |
| 145 | L | 92.7 | Very high | 90.4 | Very high | 60 Ų | 60 | 87 Ų | 87 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 177.6 | -174.9 | 58.6 | 0 | 0 | 0 | 110.8 | V130 V133 C141 H147 T148 V149 | V130-L145 HydrophobicContact CG1-CB 4.2Å; V130-L145 HydrophobicContact CG1-CD2 4.18Å; V130-L145 HydrophobicContact CG1-CG 4.39Å; V130-L145 HydrophobicContact CG2-CD2 4.25Å; V130-L145 HydrophobicContact CG2-CG 4.18Å; V133-L145 HydrophobicContact CB-CD2 4.43Å; V133-L145 HydrophobicContact CG1-CD2 4Å; C141-L145 PolarHBondContact O-N 2.85Å; C141-L145 VanDerWaalsContact O-N 3.08Å; L145-H147 PolarHBondContact O-N 3.45Å; L145-T148 WeakPolarHBondContact O-CB 3.47Å; L145-T148 PolarHBondContact O-N 2.98Å; L145-V149 WeakPolarHBondContact O-CG2 3.41Å; L145-V149 PolarHBondContact O-N 3.22Å |
| 146 | L | 94.2 | Very high | 90.6 | Very high | 25 Ų | 25 | 86.9 Ų | 86.9 | 13% | 0.131 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 176.4 | -174.8 | 63.5 | 0 | 0 | 0 | 111.7 | A122 F126 V130 S142 T148 V149 C150 | A122-L146 HydrophobicContact CB-CD1 4.28Å; F126-L146 HydrophobicContact CB-CD1 3.65Å; V130-L146 HydrophobicContact CG2-CD1 4.38Å; S142-L146 VanDerWaalsContact O-CB 3.26Å; S142-L146 WeakPolarHBondContact O-CB 3.49Å; S142-L146 PolarHBondContact O-N 3.11Å; L146-T148 VanDerWaalsContact C-N 3.29Å; L146-T148 PolarHBondContact O-N 3.35Å; L146-V149 PolarHBondContact O-N 2.59Å; L146-C150 PolarHBondContact O-N 3.29Å; L146-C150 PolarHBondContact O-SG 3.3Å; L146-C150 VanDerWaalsContact O-SG 3.32Å |
| 147 | H | 94.5 | Very high | 90.9 | Very high | 135 Ų | 135 | 83.2 Ų | 83.2 | 63% | 0.625 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 177.2 | -176.3 | -94 | 0 | 0 | 0 | 112.4 | Q143 Q144 L145 C150 R151 | Q143-H147 WeakPolarHBondContact O-CB 3.36Å; Q143-H147 PolarHBondContact O-N 3.48Å; Q144-H147 PolarHBondContact O-N 2.89Å; L145-H147 PolarHBondContact O-N 3.45Å; H147-C150 PolarHBondContact O-N 2.99Å; H147-R151 PolarHBondContact O-N 3.44Å |
| 148 | T | 95.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 86.1 Ų | 86.1 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | Q144 L145 L146 R151 N152 | Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 2.9Å; Q144-T148 PolarHBondContact O-OG1 3.29Å; L145-T148 WeakPolarHBondContact O-CB 3.47Å; L145-T148 PolarHBondContact O-N 2.98Å; L146-T148 VanDerWaalsContact C-N 3.29Å; L146-T148 PolarHBondContact O-N 3.35Å; T148-R151 PolarHBondContact O-N 2.94Å; T148-N152 VanDerWaalsContact O-CG 3.26Å; T148-N152 PolarHBondContact O-N 3.15Å; T148-N152 PolarHBondContact O-OD1 2.9Å |
| 149 | V | 94.9 | Very high | 91.6 | Very high | 39 Ų | 39 | 84.9 Ų | 84.9 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | F126 L145 L146 R151 N152 V153 | F126-V149 HydrophobicContact CD1-CG1 3.71Å; F126-V149 HydrophobicContact CD2-CG1 4.36Å; F126-V149 HydrophobicContact CE1-CG1 3.82Å; F126-V149 HydrophobicContact CE2-CG1 4.47Å; F126-V149 HydrophobicContact CG-CG1 4Å; F126-V149 HydrophobicContact CZ-CG1 4.22Å; L145-V149 WeakPolarHBondContact O-CG2 3.41Å; L145-V149 PolarHBondContact O-N 3.22Å; L146-V149 PolarHBondContact O-N 2.59Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.39Å; V149-N152 PolarHBondContact O-N 3.47Å; V149-N152 VanDerWaalsContact O-N 3.14Å; V149-V153 WeakPolarHBondContact O-CG2 3.35Å; V149-V153 PolarHBondContact O-N 3.18Å |
| 150 | C | 95.1 | Very high | 92 | Very high | 22 Ų | 22 | 87.1 Ų | 87.1 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.3 | -40 | 177.6 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | V118 L146 H147 V153 L154 | V118-C150 HydrophobicContact CG1-CB 3.83Å; L146-C150 PolarHBondContact O-N 3.29Å; L146-C150 PolarHBondContact O-SG 3.3Å; L146-C150 VanDerWaalsContact O-SG 3.32Å; H147-C150 PolarHBondContact O-N 2.99Å; C150-V153 PolarHBondContact O-N 3.34Å; C150-L154 PolarHBondContact O-N 3.32Å |
| 151 | R | 95.9 | Very high | 92.5 | Very high | 157 Ų | 157 | 92.3 Ų | 92.3 | 59% | 0.592 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 174.6 | -176.6 | -179.1 | 176.8 | -175.5 | -1 | 111.6 | H147 T148 V149 V153 L154 E155 | H147-R151 PolarHBondContact O-N 3.44Å; T148-R151 PolarHBondContact O-N 2.94Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.39Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 3.07Å; R151-L154 WeakPolarHBondContact O-CB 3.46Å; R151-L154 PolarHBondContact O-N 3.2Å; R151-L154 VanDerWaalsContact O-N 3.1Å; R151-E155 PolarHBondContact O-N 3.43Å; R151-E155 VanDerWaalsContact O-N 3.08Å |
| 152 | N | 96.7 | Very high | 92.7 | Very high | 90 Ų | 90 | 94.3 Ų | 94.3 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 179 | -67.9 | -11.2 | 0 | 0 | 0 | 111.6 | T148 V149 L154 E155 E156 | T148-N152 VanDerWaalsContact O-CG 3.26Å; T148-N152 PolarHBondContact O-N 3.15Å; T148-N152 PolarHBondContact O-OD1 2.9Å; V149-N152 PolarHBondContact O-N 3.47Å; V149-N152 VanDerWaalsContact O-N 3.14Å; N152-L154 VanDerWaalsContact C-N 3.26Å; N152-L154 PolarHBondContact O-N 3.33Å; N152-E155 PolarHBondContact O-N 3.34Å; N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 3.46Å |
| 153 | V | 95.5 | Very high | 92.6 | Very high | 60 Ų | 60 | 99 Ų | 99 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.4 | -40.8 | 173.1 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | F126 V149 C150 R151 A157 | F126-V153 HydrophobicContact CE2-CG2 4.39Å; F126-V153 HydrophobicContact CZ-CG2 4.3Å; V149-V153 WeakPolarHBondContact O-CG2 3.35Å; V149-V153 PolarHBondContact O-N 3.18Å; C150-V153 PolarHBondContact O-N 3.34Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 3.07Å; V153-A157 WeakPolarHBondContact O-CB 3.48Å; V153-A157 PolarHBondContact O-N 3.5Å |
| 154 | L | 96 | Very high | 91.8 | Very high | 80 Ų | 80 | 97.4 Ų | 97.4 | 42% | 0.419 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 178.1 | -64.2 | 174.4 | 0 | 0 | 0 | 112.8 | I114 V118 C150 R151 N152 A157 K158 | I114-L154 HydrophobicContact CG2-CD2 3.72Å; V118-L154 HydrophobicContact CG2-CD2 4.12Å; C150-L154 PolarHBondContact O-N 3.32Å; R151-L154 WeakPolarHBondContact O-CB 3.46Å; R151-L154 PolarHBondContact O-N 3.2Å; R151-L154 VanDerWaalsContact O-N 3.1Å; N152-L154 VanDerWaalsContact C-N 3.26Å; N152-L154 PolarHBondContact O-N 3.33Å; L154-A157 PolarHBondContact O-N 3.32Å; L154-K158 PolarHBondContact O-N 3.28Å |
| 155 | E | 95.1 | Very high | 89.9 | Confident | 81 Ų | 81 | 99.3 Ų | 99.3 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 174.8 | -67.6 | -64.2 | 165.3 | 0 | 0 | 111.9 | R151 N152 K158 | R151-E155 PolarHBondContact O-N 3.43Å; R151-E155 VanDerWaalsContact O-N 3.08Å; N152-E155 PolarHBondContact O-N 3.34Å; E155-K158 WeakPolarHBondContact O-CB 3.37Å; E155-K158 PolarHBondContact O-N 2.79Å; E155-K158 IonicContact OE2-NZ 2.89Å |
| 156 | E | 92.8 | Very high | 87.3 | Confident | 137 Ų | 137 | 103.2 Ų | 103.2 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.8 | -42.3 | 172.6 | -69.1 | -56.1 | 137.4 | 0 | 0 | 111.5 | N152 K158 Q159 | N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 3.46Å; E156-K158 PolarHBondContact O-N 3.31Å; E156-Q159 VanDerWaalsContact O-CB 3.3Å; E156-Q159 WeakPolarHBondContact O-CB 3.41Å; E156-Q159 WeakPolarHBondContact O-CG 3.49Å; E156-Q159 PolarHBondContact O-N 3.15Å; E156-Q159 VanDerWaalsContact O-N 3.07Å |
| 157 | A | 93.6 | Very high | 84.7 | Confident | 44 Ų | 44 | 111.7 Ų | 111.7 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -30.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V153 L154 Q159 L160 | V153-A157 WeakPolarHBondContact O-CB 3.48Å; V153-A157 PolarHBondContact O-N 3.5Å; L154-A157 PolarHBondContact O-N 3.32Å; A157-Q159 PolarHBondContact O-N 3.19Å; A157-L160 WeakPolarHBondContact O-CB 3.35Å; A157-L160 WeakPolarHBondContact O-CG 2.73Å; A157-L160 PolarHBondContact O-N 3.22Å |
| 158 | K | 93.5 | Very high | 81.9 | Confident | 130 Ų | 130 | 108.6 Ų | 108.6 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.4 | -26.5 | 175.3 | 178.1 | -178.2 | 164.7 | -166.7 | 0 | 112.6 | L154 E155 E156 L160 F161 | L154-K158 PolarHBondContact O-N 3.28Å; E155-K158 WeakPolarHBondContact O-CB 3.37Å; E155-K158 PolarHBondContact O-N 2.79Å; E155-K158 IonicContact OE2-NZ 2.89Å; E156-K158 PolarHBondContact O-N 3.31Å; K158-L160 PolarHBondContact O-N 3.07Å; K158-F161 PolarHBondContact O-N 3.26Å |
| 159 | Q | 92 | Very high | 78.9 | Confident | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -17.6 | 178 | -57.2 | -64.3 | -1 | 0 | 0 | 113.4 | E156 A157 F161 | E156-Q159 VanDerWaalsContact O-CB 3.3Å; E156-Q159 WeakPolarHBondContact O-CB 3.41Å; E156-Q159 WeakPolarHBondContact O-CG 3.49Å; E156-Q159 PolarHBondContact O-N 3.15Å; E156-Q159 VanDerWaalsContact O-N 3.07Å; A157-Q159 PolarHBondContact O-N 3.19Å; Q159-F161 PolarHBondContact O-N 3.18Å |
| 160 | L | 87.9 | Confident | 76.2 | Confident | 134 Ų | 134 | 116.7 Ų | 116.7 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -19 | 170.8 | -62.4 | 174.4 | 0 | 0 | 0 | 112.7 | A157 K158 P162 | A157-L160 WeakPolarHBondContact O-CB 3.35Å; A157-L160 WeakPolarHBondContact O-CG 2.73Å; A157-L160 PolarHBondContact O-N 3.22Å; K158-L160 PolarHBondContact O-N 3.07Å; L160-P162 VanDerWaalsContact C-CD 3.46Å; L160-P162 WeakPolarHBondContact O-CD 3.44Å |
| 161 | F | 90.2 | Very high | 73.1 | Confident | 161 Ų | 161 | 124.6 Ų | 124.6 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -122.7 | 69.2 | -178.1 | -55.5 | -79.1 | 0 | 0 | 0 | 110.3 | K158 Q159 L163 | K158-F161 PolarHBondContact O-N 3.26Å; Q159-F161 PolarHBondContact O-N 3.18Å; F161-L163 PolarHBondContact O-N 2.98Å |
| 162 | P | 86.9 | Confident | 70 | Confident | 101 Ų | 101 | 126.1 Ų | 126.1 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | trans | -61.2 | 135.6 | -178.7 | 26.3 | -33.8 | 0 | 0 | 0 | 110.2 | L160 A164 | L160-P162 VanDerWaalsContact C-CD 3.46Å; L160-P162 WeakPolarHBondContact O-CD 3.44Å; P162-A164 PolarHBondContact O-N 3.3Å | ||
| 163 | L | 81.7 | Confident | 66.7 | Low | 151 Ų | 151 | 126.2 Ų | 126.2 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | trans | -63.9 | 124.8 | 164.9 | -67 | 172.2 | 0 | 0 | 0 | 106.8 | F161 Q165 | F161-L163 PolarHBondContact O-N 2.98Å; L163-Q165 PolarHBondContact O-N 3.04Å | ||
| 164 | A | 71.9 | Confident | 63.6 | Low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | trans | -61.6 | 86.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P162 N166 | P162-A164 PolarHBondContact O-N 3.3Å; A164-N166 PolarHBondContact O-N 3.2Å | ||
| 165 | Q | 50.9 | Low | 60.4 | Low | 177 Ų | 177 | 133.6 Ų | 133.6 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | trans | -77.9 | 67.1 | 166.4 | -72.3 | -173.7 | -11 | 0 | 0 | 108.1 | L163 | L163-Q165 PolarHBondContact O-N 3.04Š| ||
| 166 | N | 39.5 | Very low | 57.4 | Low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -155 | 52.3 | 169.5 | -97.6 | -28.9 | 0 | 0 | 0 | 111.1 | A164 | A164-N166 PolarHBondContact O-N 3.2Š| ||
| 167 | E | 39.4 | Very low | 54.5 | Low | 202 Ų | 202 | 139.9 Ų | 139.9 | 94% | 0.944 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -141.6 | 86 | 144.8 | -73.9 | -150.2 | 158.5 | 0 | 0 | 107.6 | ||
| 168 | G | 34.5 | Very low | 51.4 | Low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 166.7 | 35.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V170 | G168-V170 PolarHBondContact O-N 2.94Š| ||
| 169 | L | 33.4 | Very low | 48.6 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -76.7 | 65.1 | 166.9 | -148.9 | 102.6 | 0 | 0 | 0 | 109.6 | ||||
| 170 | V | 36.8 | Very low | 45.7 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -109.1 | 89.1 | 153.6 | 179.6 | 0 | 0 | 0 | 0 | 106 | G168 K172 | G168-V170 PolarHBondContact O-N 2.94Å; V170-K172 PolarHBondContact O-N 3.47Å; V170-K172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | K | 30.9 | Very low | 43 | Very low | 188 Ų | 188 | 143 Ų | 143 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -55.8 | 111.7 | 160.1 | -71.9 | 176 | 175.2 | 178.3 | 0 | 107.8 | ||||
| 172 | K | 31 | Very low | 40 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -142.9 | 109.9 | 144 | -157.5 | 170.8 | -177.8 | 176.5 | 0 | 109.7 | V170 | V170-K172 PolarHBondContact O-N 3.47Å; V170-K172 VanDerWaalsContact O-N 3.14Å | ||
| 173 | S | 26.8 | Very low | 37.1 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -49.1 | 136.4 | 162.9 | 50 | 0 | 0 | 0 | 0 | 112 | ||||
| 174 | N | 31.5 | Very low | 34.7 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | -179.8 | 138.5 | 111.8 | -90.9 | -1.4 | 0 | 0 | 0 | 110.9 | |||||
| 175 | D | 28.8 | Very low | 32.3 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -49.9 | 132.1 | 175.3 | -58.6 | -66.9 | 0 | 0 | 0 | 114.8 | ||||
| 176 | R | 31.1 | Very low | 31.1 | Very low | 238 Ų | 238 | 147.9 Ų | 147.9 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | 178.3 | 152.5 | 114.5 | -103.2 | 178.4 | -115.8 | -129.1 | -3.3 | 112.8 | |||||
| 177 | P | 32.1 | Very low | 30.4 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -97 | 138.6 | -163.7 | 35.4 | -30 | 0 | 0 | 0 | 113.9 | ||||
| 178 | H | 28 | Very low | 30.1 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | trans | 49.7 | 155.7 | 155.1 | -88.9 | -76.1 | 0 | 0 | 0 | 118.7 | ||||
| 179 | P | 35.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | cis | -133.3 | 170.3 | 29.8 | 30.7 | -7.5 | 0 | 0 | 0 | 115.6 | P181 | P179-P181 WeakPolarHBondContact O-CD 3.42Š| ||
| 180 | S | 31.5 | Very low | 29.3 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -60.4 | 134.2 | 166.8 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 181 | P | 29.9 | Very low | 29 | Very low | 117 Ų | 117 | 162.2 Ų | 162.2 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | -141 | 144.7 | 127.5 | 6.7 | 16.5 | 0 | 0 | 0 | 115.8 | P179 | P179-P181 WeakPolarHBondContact O-CD 3.42Š| |||
| 182 | V | 27.3 | Very low | 28.7 | Very low | 120 Ų | 120 | 159 Ų | 159 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -52.5 | 138.7 | 154.9 | 174 | 0 | 0 | 0 | 0 | 110 | ||||
| 183 | E | 26.1 | Very low | 28.4 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 59.7 | 115.2 | 162 | -69.7 | 170.5 | -171.6 | 0 | 0 | 118.1 | ||||
| 184 | V | 31.3 | Very low | 28.4 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | -177.1 | 103.9 | 114 | 158.1 | 0 | 0 | 0 | 0 | 106.3 | N186 | V184-N186 PolarHBondContact O-N 3.47Š| |||
| 185 | Y | 22.9 | Very low | 28.2 | Very low | 222 Ų | 222 | 161.2 Ų | 161.2 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -74.4 | 111.9 | 154.9 | -75.3 | -92.2 | 0 | 0 | 0 | 106.3 | ||||
| 186 | N | 24.8 | Very low | 28.1 | Very low | 143 Ų | 143 | 159.9 Ų | 159.9 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | 167.9 | 151.2 | 135.9 | -85.3 | -34.4 | 0 | 0 | 0 | 111.6 | V184 | V184-N186 PolarHBondContact O-N 3.47Š| ||
| 187 | E | 26 | Very low | 28.1 | Very low | 157 Ų | 157 | 157 Ų | 157 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | 78.7 | 117.5 | 176 | -46.7 | -161 | 131.6 | 0 | 0 | 114.5 | ||||
| 188 | H | 31.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 159.9 Ų | 159.9 | 70% | 0.704 | 80% | 0.796 | S | S | * | * | -157.6 | 106 | 55.2 | -79.9 | 73.7 | 0 | 0 | 0 | 111.6 | K190 | H188-K190 PolarHBondContact O-N 3.31Š| |||
| 189 | R | 22.8 | Very low | 27.8 | Very low | 247 Ų | 247 | 155.9 Ų | 155.9 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -83.1 | 88.9 | 151.5 | -179.1 | -175.2 | 179 | 175.7 | -0.2 | 107.8 | ||||
| 190 | K | 28.5 | Very low | 27.8 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -151.9 | 95 | 159.6 | -73.7 | -169.8 | -176.9 | 165.9 | 0 | 110.6 | H188 | H188-K190 PolarHBondContact O-N 3.31Š| ||
| 191 | R | 30.5 | Very low | 27.4 | Very low | 256 Ų | 256 | 161.8 Ų | 161.8 | 97% | 0.966 | 80% | 0.801 | S | S | * | * | trans | -141 | 108.7 | 140 | -116.4 | -179.7 | -178.4 | -179 | 0.3 | 108.8 | ||||
| 192 | T | 25.3 | Very low | 27.2 | Very low | 121 Ų | 121 | 159.8 Ų | 159.8 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 156.5 | 173 | 40.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 193 | N | 24.7 | Very low | 27 | Very low | 153 Ų | 153 | 162.1 Ų | 162.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 88.5 | 114.7 | 151.1 | -69.1 | -11 | 0 | 0 | 0 | 122 | ||||
| 194 | A | 27.4 | Very low | 26.8 | Very low | 97 Ų | 97 | 157.3 Ų | 157.3 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | 88.5 | 99 | 123.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 195 | Y | 27.2 | Very low | 26.5 | Very low | 226 Ų | 226 | 156.8 Ų | 156.8 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | -156.6 | 143.2 | 110.6 | -159.5 | -104.8 | 0 | 0 | 0 | 110.4 | |||||
| 196 | V | 25.5 | Very low | 26.4 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -78.7 | 131.5 | -175.9 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 197 | Q | 31.5 | Very low | 26.3 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -163.3 | 151.5 | 139.9 | -154.9 | 143.2 | 8.2 | 0 | 0 | 111.3 | ||||
| 198 | E | 23.1 | Very low | 26.1 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -87.2 | 156.8 | -150.6 | -60.4 | 170.7 | 137.6 | 0 | 0 | 116.7 | ||||
| 199 | A | 30 | Very low | 25.7 | Very low | 92 Ų | 92 | 154.4 Ų | 154.4 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | 77.3 | 155.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 200 | P | 35.7 | Very low | 25.6 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | -131.9 | -176.3 | -83.7 | 29.1 | -7.2 | 0 | 0 | 0 | 113.5 | |||||
| 201 | Y | 24.6 | Very low | 25.4 | Very low | 231 Ų | 231 | 146.6 Ų | 146.6 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | 102.6 | 94.8 | 170.1 | -65.6 | -84 | 0 | 0 | 0 | 116.8 | ||||
| 202 | G | 24 | Very low | 25 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 171.3 | 44.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 203 | N | 24.1 | Very low | 25 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 126.9 | 166.5 | -69.8 | -11.7 | 0 | 0 | 0 | 107.4 | ||||
| 204 | G | 21.2 | Very low | 24.9 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | 92.7 | 72.2 | 20.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 205 | V | 25.4 | Very low | 24.7 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | -151.3 | 97.1 | 157.9 | -172 | 0 | 0 | 0 | 0 | 109.6 | K207 | V205-K207 HydrophobicContact CG1-CG 4.34Š| ||
| 206 | C | 21.3 | Very low | 24.5 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 91% | 0.905 | 79% | 0.786 | S | S | * | * | trans | -125.3 | 104.1 | 150.2 | -76.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 207 | K | 23.1 | Very low | 25.1 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 129.6 | 173 | -80 | 176.3 | 169.6 | -179.7 | 0 | 108.8 | V205 | V205-K207 HydrophobicContact CG1-CG 4.34Š| ||
| 208 | S | 20.4 | Very low | 24.7 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 127.7 | 160.8 | -54.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 209 | E | 23.5 | Very low | 24.8 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -106.5 | 113 | 159.6 | -75.2 | -179 | 159.4 | 0 | 0 | 107.5 | ||||
| 210 | S | 21.3 | Very low | 24.5 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -54.8 | 143.2 | 157.3 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 211 | E | 22.8 | Very low | 24.4 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 161.6 | 145.1 | 109.7 | -82.9 | 169.7 | -170.6 | 0 | 0 | 103.6 | |||||
| 212 | M | 23.7 | Very low | 24.5 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | cis | -174.5 | 149.5 | 36.4 | -144.7 | 176.1 | 157.4 | 0 | 0 | 107.7 | ||||
| 213 | S | 24.5 | Very low | 24.9 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | trans | 50.6 | 150.5 | 142.2 | -83.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 214 | E | 22.4 | Very low | 25.1 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | cis | 178.6 | 155.2 | -9.6 | -113.3 | 169.9 | 146.2 | 0 | 0 | 104.2 | ||||
| 215 | G | 22.8 | Very low | 25.4 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | 96.4 | 91.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 216 | S | 24.3 | Very low | 25.8 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -1.1 | 168.8 | 119.7 | -63.4 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 217 | P | 36.5 | Very low | 26.4 | Very low | 102 Ų | 102 | 141 Ų | 141 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | -140.3 | 175 | -29.8 | 38.6 | -19.8 | 0 | 0 | 0 | 114.1 | ||||
| 218 | L | 23.7 | Very low | 26.4 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | 74.6 | 148.2 | 147.2 | -73 | 160.7 | 0 | 0 | 0 | 121.7 | ||||
| 219 | A | 26.6 | Very low | 27.1 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | 85.6 | 85.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | V221 | A219-V221 PolarHBondContact O-N 3.1Š| ||
| 220 | D | 23 | Very low | 27.6 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | 18.9 | 94.7 | 114.7 | -156.4 | 7.2 | 0 | 0 | 0 | 116.6 | |||||
| 221 | V | 32.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | -137 | 81.6 | 149.1 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | A219 Q223 | A219-V221 PolarHBondContact O-N 3.1Å; V221-Q223 HydrophobicContact CG1-CB 3.84Å; V221-Q223 HydrophobicContact CG1-CG 3.58Å; V221-Q223 PolarHBondContact O-N 3.29Å | ||
| 222 | S | 28.3 | Very low | 28.6 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -69 | 78.2 | 157.4 | -157.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 223 | Q | 31.1 | Very low | 28.9 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | -97.8 | 90.4 | 165.7 | -88.6 | -178.3 | 7.4 | 0 | 0 | 109.8 | V221 R225 | V221-Q223 HydrophobicContact CG1-CB 3.84Å; V221-Q223 HydrophobicContact CG1-CG 3.58Å; V221-Q223 PolarHBondContact O-N 3.29Å; Q223-R225 PolarHBondContact O-N 3Å; Q223-R225 VanDerWaalsContact O-N 3.1Å | ||
| 224 | S | 28.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | 7.2 | 94.4 | 122.3 | 171.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 225 | R | 28.4 | Very low | 29.5 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -147.6 | 72.6 | 152.9 | -76 | -160.4 | -67.8 | 165.9 | -3 | 110.4 | Q223 | Q223-R225 PolarHBondContact O-N 3Å; Q223-R225 VanDerWaalsContact O-N 3.1Å | ||
| 226 | Y | 33.3 | Very low | 29.8 | Very low | 228 Ų | 228 | 148.9 Ų | 148.9 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -146 | 88.4 | 140.4 | -76.7 | -66.4 | 0 | 0 | 0 | 109.5 | ||
| 227 | L | 33.5 | Very low | 30 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 45.4 | 97.7 | 139.6 | -60.7 | 171.2 | 0 | 0 | 0 | 117.2 | Y229 | L227-Y229 PolarHBondContact O-N 3.34Š| ||
| 228 | C | 23.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -35.5 | 98.2 | 147.3 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | S230 | C228-S230 PolarHBondContact O-N 3.15Š| ||
| 229 | Y | 35.6 | Very low | 30.5 | Very low | 214 Ų | 214 | 150.8 Ų | 150.8 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -79.7 | 99.2 | 147.9 | -142.1 | -98 | 0 | 0 | 0 | 104.9 | L227 N231 | L227-Y229 PolarHBondContact O-N 3.34Å; Y229-N231 PolarHBondContact O-N 3.44Å | ||
| 230 | S | 33.5 | Very low | 30.7 | Very low | 71 Ų | 71 | 151.2 Ų | 151.2 | 50% | 0.497 | 77% | 0.765 | S | S | . | * | trans | -55.7 | 110.5 | 177 | 76.3 | 0 | 0 | 0 | 0 | 107.4 | C228 K232 | C228-S230 PolarHBondContact O-N 3.15Å; S230-K232 PolarHBondContact O-N 3.03Å | ||
| 231 | N | 32.5 | Very low | 31.1 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -68.3 | 80.8 | 161.9 | -80.3 | -35.7 | 0 | 0 | 0 | 106.1 | Y229 R233 | Y229-N231 PolarHBondContact O-N 3.44Å; N231-R233 VanDerWaalsContact C-N 3.29Å; N231-R233 PolarHBondContact O-N 3.16Å | ||
| 232 | K | 33 | Very low | 31.2 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -51.5 | 110 | 153.7 | -79.3 | -178.3 | 178.8 | 177.3 | 0 | 104 | S230 I234 | S230-K232 PolarHBondContact O-N 3.03Å; K232-I234 PolarHBondContact O-N 3.18Å | ||
| 233 | R | 29.5 | Very low | 31.8 | Very low | 227 Ų | 227 | 152.3 Ų | 152.3 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -47.4 | 92.9 | 163.6 | -76.9 | 175 | 178.9 | 169.3 | -1.9 | 106.5 | N231 R235 | N231-R233 VanDerWaalsContact C-N 3.29Å; N231-R233 PolarHBondContact O-N 3.16Å; R233-R235 PolarHBondContact O-N 2.92Å | ||
| 234 | I | 33.3 | Very low | 32.4 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | trans | -70.9 | 80.3 | 157.3 | -61 | 177.3 | 0 | 0 | 0 | 103.1 | K232 T236 | K232-I234 PolarHBondContact O-N 3.18Å; I234-T236 HydrophobicContact CG2-CG2 3.43Å; I234-T236 VanDerWaalsContact CG2-CG2 3.43Å; I234-T236 PolarHBondContact O-N 3.42Å | ||
| 235 | R | 26.3 | Very low | 33.3 | Very low | 220 Ų | 220 | 146.5 Ų | 146.5 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | trans | -67.2 | 76.4 | 151.2 | -75.5 | 177.5 | 94.9 | 169.8 | 6.9 | 104.1 | R233 K237 | R233-R235 PolarHBondContact O-N 2.92Å; R235-K237 VanDerWaalsContact C-N 3.34Å; R235-K237 PolarHBondContact O-N 3.39Å | ||
| 236 | T | 29.9 | Very low | 34.6 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | -60.6 | 111.8 | 156.8 | 31 | 0 | 0 | 0 | 0 | 104.4 | I234 L238 | I234-T236 HydrophobicContact CG2-CG2 3.43Å; I234-T236 VanDerWaalsContact CG2-CG2 3.43Å; I234-T236 PolarHBondContact O-N 3.42Å; T236-L238 PolarHBondContact O-N 3.38Å | ||
| 237 | K | 28.3 | Very low | 36 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | trans | -58.7 | 79.8 | 157 | -66.8 | 176.7 | 176.7 | 178.6 | 0 | 106.2 | R235 A239 | R235-K237 VanDerWaalsContact C-N 3.34Å; R235-K237 PolarHBondContact O-N 3.39Å; K237-A239 VanDerWaalsContact C-N 3.3Å | ||
| 238 | L | 34 | Very low | 37.6 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | trans | -105.8 | 46.1 | 170 | -155 | 72.4 | 0 | 0 | 0 | 108.5 | T236 | T236-L238 PolarHBondContact O-N 3.38Š| ||
| 239 | A | 37.1 | Very low | 39.8 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 86% | 0.86 | 63% | 0.629 | S | S | * | * | trans | -83.6 | 8.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K237 | K237-A239 VanDerWaalsContact C-N 3.3Š| ||
| 240 | S | 30.4 | Very low | 41.7 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -141.1 | 56.7 | -175.4 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 241 | K | 31.2 | Very low | 43.8 | Very low | 162 Ų | 162 | 117 Ų | 117 | 70% | 0.704 | 60% | 0.597 | S | S | * | * | trans | -169.3 | 88.8 | 134 | -119.5 | 173.1 | 173 | 179.1 | 0 | 107.6 | V243 | K241-V243 HydrophobicContact CB-CG2 3.86Å; K241-V243 HydrophobicContact CD-CG2 3.56Å; K241-V243 HydrophobicContact CG-CG2 3.58Å; K241-V243 PolarHBondContact O-N 2.9Å | ||
| 242 | I | 34.6 | Very low | 46.1 | Very low | 152 Ų | 152 | 110 Ų | 110 | 78% | 0.779 | 56% | 0.56 | S | S | * | * | trans | -60 | 69.6 | 143.6 | -58.6 | 162.2 | 0 | 0 | 0 | 104.9 | S244 | I242-S244 PolarHBondContact O-N 3.47Š| ||
| 243 | V | 40.2 | Very low | 48.5 | Very low | 84 Ų | 84 | 103.2 Ų | 103.2 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | trans | -70.7 | 103.4 | 152 | 176.1 | 0 | 0 | 0 | 0 | 101 | K241 T247 | K241-V243 HydrophobicContact CB-CG2 3.86Å; K241-V243 HydrophobicContact CD-CG2 3.56Å; K241-V243 HydrophobicContact CG-CG2 3.58Å; K241-V243 PolarHBondContact O-N 2.9Å; V243-T247 HydrophobicContact CG1-CG2 4.17Å | ||
| 244 | S | 43.3 | Very low | 51.1 | Low | 47 Ų | 47 | 93.7 Ų | 93.7 | 33% | 0.329 | 50% | 0.499 | S | S | . | . | trans | -41.9 | 139.1 | -151.9 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | I242 N246 T247 | I242-S244 PolarHBondContact O-N 3.47Å; S244-N246 CarbonylContact O-C 3.57Å; S244-N246 PolarHBondContact O-N 3Å; S244-T247 PolarHBondContact O-N 3.01Å; S244-T247 PolarHBondContact O-OG1 3.3Å | ||
| 245 | T | 48.5 | Very low | 53.6 | Low | 95 Ų | 95 | 91.5 Ų | 91.5 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -42.7 | -28.5 | 159.3 | 46.5 | 0 | 0 | 0 | 0 | 112 | L249 | T245-L249 VanDerWaalsContact O-CB 3.3Å; T245-L249 WeakPolarHBondContact O-CB 3.38Å; T245-L249 PolarHBondContact O-N 3.16Å; T245-L249 VanDerWaalsContact O-N 3.16Å |
| 246 | N | 54.3 | Low | 56.4 | Low | 109 Ų | 109 | 83.5 Ų | 83.5 | 58% | 0.583 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 171.4 | -61.9 | -12.2 | 0 | 0 | 0 | 115.2 | S244 L249 E250 | S244-N246 CarbonylContact O-C 3.57Å; S244-N246 PolarHBondContact O-N 3Å; N246-L249 PolarHBondContact O-N 2.85Å; N246-E250 VanDerWaalsContact O-CB 3.28Å; N246-E250 WeakPolarHBondContact O-CB 3.38Å; N246-E250 PolarHBondContact O-N 3.37Å |
| 247 | T | 63.3 | Low | 59.2 | Low | 71 Ų | 71 | 78.8 Ų | 78.8 | 44% | 0.436 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.6 | -40.3 | -176.7 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | V243 S244 K251 | V243-T247 HydrophobicContact CG1-CG2 4.17Å; S244-T247 PolarHBondContact O-N 3.01Å; S244-T247 PolarHBondContact O-OG1 3.3Å; T247-K251 PolarHBondContact O-N 3.45Å |
| 248 | V | 66.7 | Low | 62.1 | Low | 32 Ų | 32 | 72.8 Ų | 72.8 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 174.7 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | E250 K251 F302 M385 | V248-E250 VanDerWaalsContact C-N 3.35Å; V248-E250 PolarHBondContact O-N 2.95Å; V248-K251 WeakPolarHBondContact O-CB 3.33Å; V248-K251 PolarHBondContact O-N 3.22Å; V248-F302 HydrophobicContact CB-CD1 4.21Å; V248-F302 HydrophobicContact CG1-CB 4.28Å; V248-F302 HydrophobicContact CG1-CD1 3.84Å; V248-F302 VanDerWaalsContact CG1-O 3.22Å; V248-F302 WeakPolarHBondContact CG1-O 3.01Å; V248-M385 HydrophobicContact CG1-CE 3.81Å |
| 249 | L | 71.1 | Confident | 64.7 | Low | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 178.6 | -172.5 | 64.5 | 0 | 0 | 0 | 111.9 | T245 N246 K251 W252 N253 Y382 M385 K386 | T245-L249 VanDerWaalsContact O-CB 3.3Å; T245-L249 WeakPolarHBondContact O-CB 3.38Å; T245-L249 PolarHBondContact O-N 3.16Å; T245-L249 VanDerWaalsContact O-N 3.16Å; N246-L249 PolarHBondContact O-N 2.85Å; L249-K251 PolarHBondContact O-N 3.37Å; L249-W252 PolarHBondContact O-N 2.91Å; L249-W252 VanDerWaalsContact O-N 3.08Å; L249-N253 PolarHBondContact O-N 3.4Å; L249-Y382 HydrophobicContact CD1-CD2 3.71Å; L249-Y382 HydrophobicContact CD1-CE2 3.53Å; L249-Y382 HydrophobicContact CD1-CG 4.45Å; L249-Y382 HydrophobicContact CD2-CE2 4.38Å; L249-Y382 HydrophobicContact CG-CD2 4.18Å; L249-Y382 HydrophobicContact CG-CE2 3.52Å; L249-Y382 WeakPolarHBondContact O-CD2 3.42Å; L249-Y382 WeakPolarHBondContact O-CE2 3.26Å; L249-M385 HydrophobicContact CD1-CB 4.01Å; L249-K386 HydrophobicContact CD1-CB 4.41Å |
| 250 | E | 75.8 | Confident | 67.3 | Low | 114 Ų | 114 | 72.9 Ų | 72.9 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -33.8 | 178.1 | -163.4 | 58.7 | -141.4 | 0 | 0 | 112.1 | N246 V248 W252 N253 | N246-E250 VanDerWaalsContact O-CB 3.28Å; N246-E250 WeakPolarHBondContact O-CB 3.38Å; N246-E250 PolarHBondContact O-N 3.37Å; V248-E250 VanDerWaalsContact C-N 3.35Å; V248-E250 PolarHBondContact O-N 2.95Å; E250-W252 VanDerWaalsContact C-N 3.28Å; E250-W252 PolarHBondContact O-N 3.45Å; E250-N253 WeakPolarHBondContact O-CB 3.42Å; E250-N253 PolarHBondContact O-N 3.38Å; E250-N253 PolarHBondContact OE1-ND2 3.4Å |
| 251 | K | 76.6 | Confident | 70.2 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 14% | 0.139 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.6 | -29.7 | 176.5 | -175.4 | 164.9 | -179.4 | 151.1 | 0 | 113.5 | T247 V248 L249 N253 R256 I305 D340 E343 | T247-K251 PolarHBondContact O-N 3.45Å; V248-K251 WeakPolarHBondContact O-CB 3.33Å; V248-K251 PolarHBondContact O-N 3.22Å; L249-K251 PolarHBondContact O-N 3.37Å; K251-N253 VanDerWaalsContact C-N 3.31Å; K251-R256 WeakPolarHBondContact O-CD 3.23Å; K251-R256 PolarHBondContact O-NE 2.83Å; K251-R256 PolarHBondContact O-NH1 3.41Å; K251-I305 WeakPolarHBondContact CE-O 3.45Å; K251-I305 VanDerWaalsContact NZ-CG2 3.28Å; K251-I305 PolarHBondContact NZ-O 3.31Å; K251-D340 WeakPolarHBondContact CE-OD1 3.3Å; K251-D340 IonicContact NZ-OD1 3.06Å; K251-E343 IonicContact NZ-OE1 3.73Å; K251-E343 PolarHBondContact NZ-OE1 2.8Å; K251-E343 IonicContact NZ-OE2 3.76Å; K251-E343 PolarHBondContact NZ-OE2 3.23Å |
| 252 | W | 81.3 | Confident | 73.1 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 3% | 0.027 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.3 | 174.9 | -62.8 | 93.6 | 0 | 0 | 0 | 112.3 | L249 E250 P254 V292 F307 M378 V381 Y382 M385 | L249-W252 PolarHBondContact O-N 2.91Å; L249-W252 VanDerWaalsContact O-N 3.08Å; E250-W252 VanDerWaalsContact C-N 3.28Å; E250-W252 PolarHBondContact O-N 3.45Å; W252-P254 WeakPolarHBondContact O-CD 3.45Å; W252-V292 HydrophobicContact CE3-CG2 4.33Å; W252-V292 HydrophobicContact CH2-CG2 3.37Å; W252-V292 HydrophobicContact CZ2-CG2 4.26Å; W252-V292 HydrophobicContact CZ3-CG2 3.36Å; W252-F307 AromaticContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CH2-CB 4.38Å; W252-F307 HydrophobicContact CH2-CD2 4.39Å; W252-F307 HydrophobicContact CZ3-CB 4.1Å; W252-F307 AromaticContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CD2 3.41Å; W252-F307 VanDerWaalsContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CE2 4.29Å; W252-F307 HydrophobicContact CZ3-CG 4.21Å; W252-M378 VanDerWaalsContact O-CG 3.24Å; W252-M378 WeakPolarHBondContact O-CG 3.34Å; W252-V381 HydrophobicContact CD2-CG1 3.99Å; W252-V381 HydrophobicContact CE3-CB 4.09Å; W252-V381 HydrophobicContact CE3-CG1 3.6Å; W252-V381 HydrophobicContact CZ3-CG1 3.99Å; W252-Y382 HydrophobicContact CB-CD2 4.12Å; W252-Y382 WeakPolarHBondContact O-CB 3.29Å; W252-Y382 WeakPolarHBondContact O-CD2 3.31Å; W252-M385 HydrophobicContact CB-SD 4.06Å; W252-M385 VanDerWaalsContact CD1-CE 3.49Å; W252-M385 HydrophobicContact CD2-SD 4.2Å; W252-M385 HydrophobicContact CG-CE 4.29Å; W252-M385 HydrophobicContact CG-SD 3.62Å |
| 253 | N | 83.4 | Confident | 75.8 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | trans | -64.7 | 119 | 178.3 | -172.5 | -11.2 | 0 | 0 | 0 | 109.7 | L249 E250 K251 S255 R256 Y382 | L249-N253 PolarHBondContact O-N 3.4Å; E250-N253 WeakPolarHBondContact O-CB 3.42Å; E250-N253 PolarHBondContact O-N 3.38Å; E250-N253 PolarHBondContact OE1-ND2 3.4Å; K251-N253 VanDerWaalsContact C-N 3.31Å; N253-S255 PolarHBondContact O-N 3.12Å; N253-S255 VanDerWaalsContact OD1-CB 3.32Å; N253-S255 WeakPolarHBondContact OD1-CB 3.39Å; N253-S255 PolarHBondContact OD1-N 3.02Å; N253-S255 VanDerWaalsContact OD1-N 3.15Å; N253-S255 PolarHBondContact OD1-OG 2.94Å; N253-R256 WeakPolarHBondContact O-CG 3.43Å; N253-R256 PolarHBondContact O-N 3.38Å; N253-R256 VanDerWaalsContact O-N 3.1Å; N253-Y382 HydrophobicContact CB-CD2 4.44Å; N253-Y382 HydrophobicContact CB-CE2 4.11Å | ||
| 254 | P | 84.3 | Confident | 78.2 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -60.8 | -18.9 | -179.2 | 26.4 | -36.9 | 0 | 0 | 0 | 113.2 | W252 R256 L257 A379 | W252-P254 WeakPolarHBondContact O-CD 3.45Å; P254-R256 PolarHBondContact O-N 2.91Å; P254-L257 PolarHBondContact O-N 3.47Å; P254-L257 VanDerWaalsContact O-N 3.16Å; P254-A379 HydrophobicContact CB-CB 4.23Å; P254-A379 HydrophobicContact CG-CB 3.98Å |
| 255 | S | 84.7 | Confident | 80.3 | Confident | 92 Ų | 92 | 51.5 Ų | 51.5 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -61.8 | -19.4 | 176.4 | -48.2 | 0 | 0 | 0 | 0 | 113.5 | N253 L257 | N253-S255 PolarHBondContact O-N 3.12Å; N253-S255 VanDerWaalsContact OD1-CB 3.32Å; N253-S255 WeakPolarHBondContact OD1-CB 3.39Å; N253-S255 PolarHBondContact OD1-N 3.02Å; N253-S255 VanDerWaalsContact OD1-N 3.15Å; N253-S255 PolarHBondContact OD1-OG 2.94Å; S255-L257 PolarHBondContact O-N 3.46Å |
| 256 | R | 86.1 | Confident | 82 | Confident | 51 Ų | 51 | 47 Ų | 47 | 19% | 0.192 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -70.4 | -22.1 | 176.8 | 80.7 | -176.1 | -171.9 | 141.6 | 0.3 | 113.3 | K251 N253 P254 T258 F307 D340 M378 | K251-R256 WeakPolarHBondContact O-CD 3.23Å; K251-R256 PolarHBondContact O-NE 2.83Å; K251-R256 PolarHBondContact O-NH1 3.41Å; N253-R256 WeakPolarHBondContact O-CG 3.43Å; N253-R256 PolarHBondContact O-N 3.38Å; N253-R256 VanDerWaalsContact O-N 3.1Å; P254-R256 PolarHBondContact O-N 2.91Å; R256-T258 PolarHBondContact O-N 3.19Å; R256-F307 VanDerWaalsContact NH2-CB 3.32Å; R256-D340 IonicContact CZ-OD1 3.31Å; R256-D340 IonicContact CZ-OD2 2.74Å; R256-D340 IonicContact NH1-OD1 2.8Å; R256-D340 PolarHBondContact NH1-OD1 3.42Å; R256-D340 IonicContact NH1-OD2 2.66Å; R256-D340 IonicContact NH2-OD1 2.76Å; R256-D340 PolarHBondContact NH2-OD1 3.16Å; R256-D340 IonicContact NH2-OD2 3.72Å; R256-D340 PolarHBondContact NH2-OD2 2.95Å; R256-M378 HydrophobicContact CG-SD 4.14Å; R256-M378 VanDerWaalsContact NE-CE 3.28Å; R256-M378 VanDerWaalsContact NH2-CE 3.32Å |
| 257 | L | 88.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | trans | -83.5 | 111 | -179.3 | -62 | 177 | 0 | 0 | 0 | 109.4 | P254 S255 F263 L337 L371 V374 K375 M378 | P254-L257 PolarHBondContact O-N 3.47Å; P254-L257 VanDerWaalsContact O-N 3.16Å; S255-L257 PolarHBondContact O-N 3.46Å; L257-F263 HydrophobicContact CD2-CZ 3.96Å; L257-L337 HydrophobicContact CD2-CD1 4.01Å; L257-L337 HydrophobicContact CD2-CD2 4.41Å; L257-L371 HydrophobicContact CB-CD1 4.32Å; L257-V374 HydrophobicContact CD1-CG1 3.79Å; L257-K375 HydrophobicContact CB-CG 3.84Å; L257-K375 HydrophobicContact CD1-CG 3.85Å; L257-K375 HydrophobicContact CG-CG 4.49Å; L257-K375 WeakPolarHBondContact O-CE 3.33Å; L257-K375 PolarHBondContact O-NZ 2.73Å; L257-M378 HydrophobicContact CD1-CB 4.29Å; L257-M378 HydrophobicContact CD1-CE 3.99Å; L257-M378 HydrophobicContact CD1-SD 3.75Å; L257-M378 HydrophobicContact CD2-CE 4.25Å; L257-M378 HydrophobicContact CG-CE 4.21Å; L257-M378 HydrophobicContact CG-SD 3.94Å | ||
| 258 | T | 88.8 | Confident | 84.2 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | trans | -112.1 | 169.3 | 177.5 | 68.2 | 0 | 0 | 0 | 0 | 110.4 | R256 N260 S261 | R256-T258 PolarHBondContact O-N 3.19Å; T258-N260 PolarHBondContact O-N 3.24Å; T258-N260 VanDerWaalsContact O-N 3.13Å; T258-N260 PolarHBondContact OG1-N 2.88Å; T258-S261 PolarHBondContact N-OG 2.95Å; T258-S261 VanDerWaalsContact O-CB 3.28Å; T258-S261 WeakPolarHBondContact O-CB 3.45Å; T258-S261 PolarHBondContact O-N 3.44Å; T258-S261 PolarHBondContact O-OG 3.18Å; T258-S261 PolarHBondContact OG1-N 3.14Å; T258-S261 PolarHBondContact OG1-OG 2.83Å | ||
| 259 | E | 89.1 | Confident | 85.1 | Confident | 127 Ų | 127 | 42 Ų | 42 | 59% | 0.593 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17 | 174.4 | -51.4 | -178 | -177.7 | 0 | 0 | 112.6 | L368 L371 | E259-L368 HydrophobicContact CB-CD2 4.35Å; E259-L368 HydrophobicContact CG-CD2 3.56Å; E259-L371 HydrophobicContact CG-CD2 4.45Å |
| 260 | N | 90.3 | Very high | 85.6 | Confident | 111 Ų | 111 | 42 Ų | 42 | 59% | 0.594 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | -7.4 | 175.8 | -69.8 | -41.6 | 0 | 0 | 0 | 113.6 | T258 E262 K365 | T258-N260 PolarHBondContact O-N 3.24Å; T258-N260 VanDerWaalsContact O-N 3.13Å; T258-N260 PolarHBondContact OG1-N 2.88Å; N260-E262 PolarHBondContact O-N 3.39Å; N260-K365 PolarHBondContact OD1-NZ 3.46Å |
| 261 | S | 91.1 | Very high | 85.9 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -64.6 | 129.2 | 179.5 | -65 | 0 | 0 | 0 | 0 | 110.6 | T258 F263 | T258-S261 PolarHBondContact N-OG 2.95Å; T258-S261 VanDerWaalsContact O-CB 3.28Å; T258-S261 WeakPolarHBondContact O-CB 3.45Å; T258-S261 PolarHBondContact O-N 3.44Å; T258-S261 PolarHBondContact O-OG 3.18Å; T258-S261 PolarHBondContact OG1-N 3.14Å; T258-S261 PolarHBondContact OG1-OG 2.83Å; S261-F263 WeakPolarHBondContact O-CD2 3.39Å | ||
| 262 | E | 92.6 | Very high | 86.2 | Confident | 73 Ų | 73 | 36.8 Ų | 36.8 | 34% | 0.341 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.4 | -176.7 | -68.2 | -174.2 | 152.4 | 0 | 0 | 111.6 | N260 L338 P363 K365 | N260-E262 PolarHBondContact O-N 3.39Å; E262-L338 HydrophobicContact CB-CB 4.1Å; E262-L338 HydrophobicContact CB-CD2 4.07Å; E262-L338 WeakPolarHBondContact O-CB 3.49Å; E262-L338 PolarHBondContact O-N 3.28Å; E262-L338 VanDerWaalsContact OE2-CD2 3.23Å; E262-L338 WeakPolarHBondContact OE2-CD2 3.43Å; E262-P363 HydrophobicContact CB-CB 3.85Å; E262-P363 HydrophobicContact CG-CB 4.3Å; E262-K365 HydrophobicContact CG-CG 4.42Å |
| 263 | F | 91.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152 | -178 | -68.6 | -95.2 | 0 | 0 | 0 | 111 | L257 S261 L335 V336 L337 P363 F364 L366 L371 V374 | L257-F263 HydrophobicContact CD2-CZ 3.96Å; S261-F263 WeakPolarHBondContact O-CD2 3.39Å; F263-L335 HydrophobicContact CD1-CB 4.48Å; F263-V336 CarbonylContact C-O 3.59Å; F263-V336 WeakPolarHBondContact CA-O 3.26Å; F263-L337 HydrophobicContact CD1-CD1 4.43Å; F263-L337 HydrophobicContact CE1-CD1 4.03Å; F263-L337 HydrophobicContact CE2-CD1 4.3Å; F263-L337 HydrophobicContact CZ-CD1 3.97Å; F263-P363 WeakPolarHBondContact O-CA 3.3Å; F263-F364 HydrophobicContact CB-CZ 4.45Å; F263-F364 PolarHBondContact N-O 3.19Å; F263-F364 WeakPolarHBondContact O-CD1 3.32Å; F263-F364 WeakPolarHBondContact O-CE1 3.48Å; F263-F364 PolarHBondContact O-N 3.25Å; F263-L366 HydrophobicContact CB-CG 4.38Å; F263-L366 HydrophobicContact CD1-CD1 4.02Å; F263-L366 HydrophobicContact CD2-CB 4.44Å; F263-L366 HydrophobicContact CD2-CD1 3.51Å; F263-L366 HydrophobicContact CD2-CG 3.56Å; F263-L366 HydrophobicContact CE1-CD1 4.04Å; F263-L366 HydrophobicContact CE2-CD1 3.53Å; F263-L366 HydrophobicContact CE2-CG 3.95Å; F263-L366 HydrophobicContact CG-CD1 3.75Å; F263-L366 HydrophobicContact CG-CG 3.98Å; F263-L366 HydrophobicContact CZ-CD1 3.78Å; F263-L371 HydrophobicContact CE2-CD1 4.03Å; F263-L371 HydrophobicContact CZ-CD1 4.2Å; F263-V374 HydrophobicContact CE1-CG1 4.07Å; F263-V374 HydrophobicContact CZ-CG1 4.13Å |
| 264 | V | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.7 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | Q268 V336 L338 I341 L361 P363 | V264-Q268 HydrophobicContact CG1-CB 3.81Å; V264-Q268 HydrophobicContact CG1-CG 3.84Å; V264-V336 PolarHBondContact N-O 2.95Å; V264-V336 PolarHBondContact O-N 3.12Å; V264-L338 HydrophobicContact CG2-CB 4.38Å; V264-L338 HydrophobicContact CG2-CD1 3.79Å; V264-I341 HydrophobicContact CB-CD1 4.07Å; V264-I341 HydrophobicContact CG2-CD1 4.33Å; V264-L361 HydrophobicContact CG1-CD2 3.78Å; V264-L361 HydrophobicContact CG2-CD2 4.32Å; V264-P363 HydrophobicContact CG2-CB 4.42Å |
| 265 | L | 87.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 140.6 | 173.3 | -62.4 | -164.5 | 0 | 0 | 0 | 111.5 | Q268 A269 L319 K325 M327 L335 F364 | L265-Q268 HydrophobicContact CB-CB 4.42Å; L265-Q268 WeakPolarHBondContact O-CA 3.28Å; L265-Q268 WeakPolarHBondContact O-CB 3.24Å; L265-Q268 PolarHBondContact O-N 3.47Å; L265-A269 PolarHBondContact O-N 3.19Å; L265-L319 HydrophobicContact CD2-CD1 4.39Å; L265-L319 HydrophobicContact CD2-CD2 4.45Å; L265-K325 HydrophobicContact CD1-CB 4.19Å; L265-K325 HydrophobicContact CD1-CD 3.35Å; L265-K325 HydrophobicContact CD1-CG 4.12Å; L265-K325 HydrophobicContact CG-CD 4.01Å; L265-M327 HydrophobicContact CD1-CE 4.09Å; L265-L335 HydrophobicContact CD2-CD2 3.62Å; L265-F364 HydrophobicContact CD2-CE1 3.91Å; L265-F364 HydrophobicContact CD2-CZ 3.8Å; L265-F364 HydrophobicContact CG-CE1 4.21Å |
| 266 | G | 83.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.6 | -45.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q268 A269 N270 F334 | G266-Q268 PolarHBondContact O-N 3.07Å; G266-A269 PolarHBondContact O-N 3.08Å; G266-N270 PolarHBondContact O-N 3.01Å; G266-N270 PolarHBondContact O-ND2 2.81Å; G266-N270 PolarHBondContact O-OD1 2.86Å; G266-F334 PolarHBondContact N-O 3.17Å |
| 267 | P | 81.4 | Confident | 82.5 | Confident | 83 Ų | 83 | 37 Ų | 37 | 54% | 0.539 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.6 | -31.9 | 174.3 | -27.1 | 35.8 | 0 | 0 | 0 | 114.1 | N270 S271 | P267-N270 WeakPolarHBondContact O-CB 3.49Å; P267-S271 PolarHBondContact O-N 3.33Å; P267-S271 PolarHBondContact O-OG 3.05Å |
| 268 | Q | 83.7 | Confident | 80.9 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -80 | -38.6 | 179.9 | -173.8 | 172.3 | 11.7 | 0 | 0 | 111.3 | V264 L265 G266 N270 S271 A272 M360 L361 E362 | V264-Q268 HydrophobicContact CG1-CB 3.81Å; V264-Q268 HydrophobicContact CG1-CG 3.84Å; L265-Q268 HydrophobicContact CB-CB 4.42Å; L265-Q268 WeakPolarHBondContact O-CA 3.28Å; L265-Q268 WeakPolarHBondContact O-CB 3.24Å; L265-Q268 PolarHBondContact O-N 3.47Å; G266-Q268 PolarHBondContact O-N 3.07Å; Q268-N270 PolarHBondContact O-N 3.1Å; Q268-S271 PolarHBondContact O-N 2.81Å; Q268-A272 WeakPolarHBondContact O-CB 3.29Å; Q268-A272 PolarHBondContact O-N 3.35Å; Q268-M360 PolarHBondContact NE2-O 3.42Å; Q268-L361 HydrophobicContact CG-CD2 4.29Å; Q268-E362 VanDerWaalsContact NE2-CB 3.31Å |
| 269 | A | 83.9 | Confident | 78.9 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57 | -38.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L265 G266 A272 L273 I341 | L265-A269 PolarHBondContact O-N 3.19Å; G266-A269 PolarHBondContact O-N 3.08Å; A269-A272 PolarHBondContact O-N 3.37Å; A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 WeakPolarHBondContact O-CG 3.4Å; A269-L273 PolarHBondContact O-N 3.07Å; A269-I341 HydrophobicContact CB-CD1 3.63Å; A269-I341 HydrophobicContact CB-CG1 4.34Å |
| 270 | N | 81.7 | Confident | 77.2 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.6 | -67 | -21.8 | 0 | 0 | 0 | 112.9 | G266 P267 Q268 G274 Y275 A276 I282 | G266-N270 PolarHBondContact O-N 3.01Å; G266-N270 PolarHBondContact O-ND2 2.81Å; G266-N270 PolarHBondContact O-OD1 2.86Å; P267-N270 WeakPolarHBondContact O-CB 3.49Å; Q268-N270 PolarHBondContact O-N 3.1Å; N270-G274 PolarHBondContact O-N 3.37Å; N270-Y275 CarbonylContact O-C 3.51Å; N270-Y275 WeakPolarHBondContact O-CA 3.49Å; N270-Y275 PolarHBondContact O-N 2.86Å; N270-A276 PolarHBondContact O-N 3.08Å; N270-I282 WeakPolarHBondContact OD1-CD1 3.33Å; N270-I282 WeakPolarHBondContact OD1-CG1 3.49Å; N270-I282 WeakPolarHBondContact OD1-CG2 3.44Å |
| 271 | S | 82.6 | Confident | 75.4 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | P267 Q268 L273 G274 M360 | P267-S271 PolarHBondContact O-N 3.33Å; P267-S271 PolarHBondContact O-OG 3.05Å; Q268-S271 PolarHBondContact O-N 2.81Å; S271-L273 VanDerWaalsContact C-N 3.27Å; S271-L273 PolarHBondContact O-N 3.1Å; S271-G274 PolarHBondContact O-N 2.92Å; S271-M360 WeakPolarHBondContact CB-SD 3.47Å |
| 272 | A | 82.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -28.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q268 A269 V356 D357 L361 | Q268-A272 WeakPolarHBondContact O-CB 3.29Å; Q268-A272 PolarHBondContact O-N 3.35Å; A269-A272 PolarHBondContact O-N 3.37Å; A272-V356 CarbonylContact O-C 3.46Å; A272-V356 VanDerWaalsContact O-CA 3.26Å; A272-V356 WeakPolarHBondContact O-CA 3.4Å; A272-V356 WeakPolarHBondContact O-CG1 3.25Å; A272-D357 VanDerWaalsContact CA-O 3.25Å; A272-D357 WeakPolarHBondContact CA-O 3.39Å; A272-D357 VanDerWaalsContact CB-O 3.29Å; A272-D357 WeakPolarHBondContact CB-O 3.48Å; A272-D357 PolarHBondContact O-N 3.44Å; A272-L361 HydrophobicContact CB-CD1 4.15Å; A272-L361 HydrophobicContact CB-CD2 3.36Å; A272-L361 HydrophobicContact CB-CG 3.62Å |
| 273 | L | 80 | Confident | 71.7 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8.2 | 178.7 | -66.4 | 174.4 | 0 | 0 | 0 | 113.7 | A269 S271 Y275 I341 L344 A345 | A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 WeakPolarHBondContact O-CG 3.4Å; A269-L273 PolarHBondContact O-N 3.07Å; S271-L273 VanDerWaalsContact C-N 3.27Å; S271-L273 PolarHBondContact O-N 3.1Å; L273-Y275 HydrophobicContact CB-CD2 3.59Å; L273-Y275 HydrophobicContact CB-CE2 3.85Å; L273-Y275 VanDerWaalsContact O-CD2 3.26Å; L273-Y275 WeakPolarHBondContact O-CD2 3.35Å; L273-Y275 WeakPolarHBondContact O-CE2 3.26Å; L273-I341 HydrophobicContact CD2-CG2 4.3Å; L273-I341 HydrophobicContact CG-CG2 4.46Å; L273-L344 HydrophobicContact CD1-CD1 3.9Å; L273-A345 HydrophobicContact CD2-CB 4.5Å |
| 274 | G | 74.5 | Confident | 69.5 | Low | 15 Ų | 15 | 51.3 Ų | 51.3 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 21.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N270 S271 E355 | N270-G274 PolarHBondContact O-N 3.37Å; S271-G274 PolarHBondContact O-N 2.92Å; G274-E355 WeakPolarHBondContact CA-O 3.45Å; G274-E355 PolarHBondContact N-O 3.36Å; G274-E355 VanDerWaalsContact O-OE2 3.05Å |
| 275 | Y | 71.5 | Confident | 67.4 | Low | 28 Ų | 28 | 56.6 Ų | 56.6 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | trans | -109.1 | 10.7 | -179.6 | -62.3 | -69.8 | 0 | 0 | 0 | 114 | N270 L273 A277 Q278 I282 Y286 | N270-Y275 CarbonylContact O-C 3.51Å; N270-Y275 WeakPolarHBondContact O-CA 3.49Å; N270-Y275 PolarHBondContact O-N 2.86Å; L273-Y275 HydrophobicContact CB-CD2 3.59Å; L273-Y275 HydrophobicContact CB-CE2 3.85Å; L273-Y275 VanDerWaalsContact O-CD2 3.26Å; L273-Y275 WeakPolarHBondContact O-CD2 3.35Å; L273-Y275 WeakPolarHBondContact O-CE2 3.26Å; Y275-A277 VanDerWaalsContact C-N 3.35Å; Y275-A277 PolarHBondContact O-N 3.18Å; Y275-Q278 PolarHBondContact O-N 3.5Å; Y275-I282 HydrophobicContact CD1-CG2 4.16Å; Y275-I282 HydrophobicContact CD2-CG2 3.26Å; Y275-I282 HydrophobicContact CE2-CG2 4.05Å; Y275-I282 HydrophobicContact CG-CG2 3.31Å; Y275-Y286 HydrophobicContact CE1-CE2 4.38Å; Y275-Y286 WeakPolarHBondContact OH-CE2 3.37Å | ||
| 276 | A | 60.3 | Low | 65.5 | Low | 65 Ų | 65 | 58.8 Ų | 58.8 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -40.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | N270 Q278 | N270-A276 PolarHBondContact O-N 3.08Å; A276-Q278 VanDerWaalsContact C-N 3.27Å; A276-Q278 PolarHBondContact O-N 3.29Å |
| 277 | A | 56.7 | Low | 63.7 | Low | 99 Ų | 99 | 62.6 Ų | 62.6 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y275 | Y275-A277 VanDerWaalsContact C-N 3.35Å; Y275-A277 PolarHBondContact O-N 3.18Å |
| 278 | Q | 53.8 | Low | 62 | Low | 92 Ų | 92 | 60.5 Ų | 60.5 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -115.9 | 91.3 | -174.1 | -67.3 | -179.8 | -0.5 | 0 | 0 | 111.1 | Y275 A276 G280 R281 | Y275-Q278 PolarHBondContact O-N 3.5Å; A276-Q278 VanDerWaalsContact C-N 3.27Å; A276-Q278 PolarHBondContact O-N 3.29Å; Q278-G280 PolarHBondContact O-N 3.45Å; Q278-G280 VanDerWaalsContact O-N 3.08Å; Q278-R281 HydrophobicContact CB-CB 4.01Å; Q278-R281 HydrophobicContact CB-CG 4.14Å; Q278-R281 PolarHBondContact O-N 2.74Å; Q278-R281 VanDerWaalsContact O-N 3.15Å |
| 279 | R | 48.6 | Very low | 60.3 | Low | 242 Ų | 242 | 60.8 Ų | 60.8 | 91% | 0.913 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 115.6 | 177.6 | -166.8 | 174.3 | -176.9 | 170.7 | -0.6 | 111 | ||
| 280 | G | 52 | Low | 58.5 | Low | 36 Ų | 36 | 61.6 Ų | 61.6 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 1.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q278 T284 | Q278-G280 PolarHBondContact O-N 3.45Å; Q278-G280 VanDerWaalsContact O-N 3.08Å; G280-T284 PolarHBondContact O-OG1 3.5Å |
| 281 | R | 53.5 | Low | 56.5 | Low | 132 Ų | 132 | 65 Ų | 65 | 50% | 0.498 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -88.1 | -18 | -170 | -81.3 | -164.1 | -175.2 | 179.3 | -3.8 | 118.1 | Q278 Y283 T284 K285 | Q278-R281 HydrophobicContact CB-CB 4.01Å; Q278-R281 HydrophobicContact CB-CG 4.14Å; Q278-R281 PolarHBondContact O-N 2.74Å; Q278-R281 VanDerWaalsContact O-N 3.15Å; R281-Y283 PolarHBondContact O-N 2.66Å; R281-T284 PolarHBondContact O-N 3.06Å; R281-K285 WeakPolarHBondContact O-CB 3.35Å; R281-K285 PolarHBondContact O-N 3.32Å |
| 282 | I | 52.3 | Low | 54.3 | Low | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.2 | -39.6 | 169.8 | 52.6 | 146.5 | 0 | 0 | 0 | 111.1 | N270 Y275 T284 F290 | N270-I282 WeakPolarHBondContact OD1-CD1 3.33Å; N270-I282 WeakPolarHBondContact OD1-CG1 3.49Å; N270-I282 WeakPolarHBondContact OD1-CG2 3.44Å; Y275-I282 HydrophobicContact CD1-CG2 4.16Å; Y275-I282 HydrophobicContact CD2-CG2 3.26Å; Y275-I282 HydrophobicContact CE2-CG2 4.05Å; Y275-I282 HydrophobicContact CG-CG2 3.31Å; I282-T284 PolarHBondContact O-N 2.72Å; I282-F290 HydrophobicContact CB-CD2 4.44Å; I282-F290 HydrophobicContact CB-CE2 3.73Å; I282-F290 HydrophobicContact CB-CZ 3.79Å; I282-F290 HydrophobicContact CD1-CD1 4.23Å; I282-F290 HydrophobicContact CD1-CE1 3.4Å; I282-F290 HydrophobicContact CD1-CE2 4.03Å; I282-F290 HydrophobicContact CD1-CZ 3.25Å; I282-F290 HydrophobicContact CG1-CE2 4.45Å; I282-F290 HydrophobicContact CG1-CZ 4.12Å; I282-F290 HydrophobicContact CG2-CZ 4.47Å; I282-F290 WeakPolarHBondContact O-CD2 3.32Å |
| 283 | Y | 53.1 | Low | 51.9 | Low | 69 Ų | 69 | 73.2 Ų | 73.2 | 27% | 0.271 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -76.6 | -24.1 | -175.2 | -47 | -63.8 | 0 | 0 | 0 | 113.4 | R281 F290 Q308 | R281-Y283 PolarHBondContact O-N 2.66Å; Y283-F290 AromaticContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CE1 4.35Å; Y283-F290 HydrophobicContact CD1-CG 4.35Å; Y283-F290 HydrophobicContact CE1-CD1 4.2Å; Y283-F290 HydrophobicContact CE1-CE1 4.21Å; Y283-Q308 PolarHBondContact OH-NE2 3.26Å |
| 284 | T | 46.3 | Very low | 49.4 | Very low | 112 Ų | 112 | 77.7 Ų | 77.7 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -103.6 | -30.9 | -176.9 | -47.1 | 0 | 0 | 0 | 0 | 113 | G280 R281 I282 | G280-T284 PolarHBondContact O-OG1 3.5Å; R281-T284 PolarHBondContact O-N 3.06Å; I282-T284 PolarHBondContact O-N 2.72Å |
| 285 | K | 43.9 | Very low | 47.3 | Very low | 110 Ų | 110 | 84.9 Ų | 84.9 | 48% | 0.478 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.2 | -31.1 | -175.8 | -167.9 | -179.7 | 175 | -162 | 0 | 112.3 | R281 | R281-K285 WeakPolarHBondContact O-CB 3.35Å; R281-K285 PolarHBondContact O-N 3.32Å |
| 286 | Y | 50 | Low | 45.3 | Very low | 59 Ų | 59 | 87.8 Ų | 87.8 | 23% | 0.231 | 48% | 0.483 | C | S | . | . | trans | -131.2 | 79.6 | 178.3 | -57.2 | -82.1 | 0 | 0 | 0 | 110.9 | Y275 S288 L289 F290 | Y275-Y286 HydrophobicContact CE1-CE2 4.38Å; Y275-Y286 WeakPolarHBondContact OH-CE2 3.37Å; Y286-S288 PolarHBondContact O-N 2.94Å; Y286-L289 HydrophobicContact CD1-CD1 4.14Å; Y286-L289 HydrophobicContact CD2-CD1 4.06Å; Y286-L289 HydrophobicContact CG-CD1 3.67Å; Y286-L289 HydrophobicContact CG-CG 4.25Å; Y286-L289 PolarHBondContact O-N 3.5Å; Y286-F290 PolarHBondContact O-N 2.87Å | ||
| 287 | P | 44.8 | Very low | 43.9 | Very low | 81 Ų | 81 | 88 Ų | 88 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -24.4 | 171 | 25.3 | -32.5 | 0 | 0 | 0 | 111.7 | L289 K291 | P287-L289 VanDerWaalsContact C-N 3.33Å; P287-K291 WeakPolarHBondContact O-CB 3.26Å |
| 288 | S | 45.7 | Very low | 43.2 | Very low | 39 Ų | 39 | 87.5 Ų | 87.5 | 27% | 0.273 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -39 | 171.2 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | Y286 D303 S304 | Y286-S288 PolarHBondContact O-N 2.94Å; S288-D303 CarbonylContact O-C 2.94Å; S288-S304 WeakPolarHBondContact O-CA 3.15Å; S288-S304 WeakPolarHBondContact O-CB 3.36Å; S288-S304 PolarHBondContact O-N 3.43Å; S288-S304 PolarHBondContact O-OG 3.4Å |
| 289 | L | 49.2 | Very low | 42.3 | Very low | 25 Ų | 25 | 89.8 Ų | 89.8 | 13% | 0.131 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -83.8 | -24.1 | -173.9 | -65.7 | 177.6 | 0 | 0 | 0 | 115.2 | Y286 P287 S304 I305 L306 L344 | Y286-L289 HydrophobicContact CD1-CD1 4.14Å; Y286-L289 HydrophobicContact CD2-CD1 4.06Å; Y286-L289 HydrophobicContact CG-CD1 3.67Å; Y286-L289 HydrophobicContact CG-CG 4.25Å; Y286-L289 PolarHBondContact O-N 3.5Å; P287-L289 VanDerWaalsContact C-N 3.33Å; L289-S304 PolarHBondContact O-OG 2.97Å; L289-I305 HydrophobicContact CD2-CB 4.22Å; L289-I305 HydrophobicContact CD2-CD1 3.79Å; L289-I305 HydrophobicContact CD2-CG1 4.07Å; L289-I305 PolarHBondContact O-N 2.69Å; L289-L306 PolarHBondContact O-N 3.2Å; L289-L344 HydrophobicContact CD1-CD2 4.15Å; L289-L344 HydrophobicContact CD2-CD2 3.69Å; L289-L344 HydrophobicContact CG-CD2 4.4Å |
| 290 | F | 44.9 | Very low | 41.8 | Very low | 21 Ų | 21 | 83.7 Ų | 83.7 | 9% | 0.092 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -127.1 | 10.4 | -162.1 | -82.4 | -81.6 | 0 | 0 | 0 | 116.8 | I282 Y283 Y286 V292 S304 L306 | I282-F290 HydrophobicContact CB-CD2 4.44Å; I282-F290 HydrophobicContact CB-CE2 3.73Å; I282-F290 HydrophobicContact CB-CZ 3.79Å; I282-F290 HydrophobicContact CD1-CD1 4.23Å; I282-F290 HydrophobicContact CD1-CE1 3.4Å; I282-F290 HydrophobicContact CD1-CE2 4.03Å; I282-F290 HydrophobicContact CD1-CZ 3.25Å; I282-F290 HydrophobicContact CG1-CE2 4.45Å; I282-F290 HydrophobicContact CG1-CZ 4.12Å; I282-F290 HydrophobicContact CG2-CZ 4.47Å; I282-F290 WeakPolarHBondContact O-CD2 3.32Å; Y283-F290 AromaticContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CE1 4.35Å; Y283-F290 HydrophobicContact CD1-CG 4.35Å; Y283-F290 HydrophobicContact CE1-CD1 4.2Å; Y283-F290 HydrophobicContact CE1-CE1 4.21Å; Y286-F290 PolarHBondContact O-N 2.87Å; F290-V292 PolarHBondContact O-N 2.88Å; F290-V292 VanDerWaalsContact O-N 3.16Å; F290-S304 PolarHBondContact N-OG 3.09Å; F290-L306 HydrophobicContact CD1-CB 4.34Å; F290-L306 HydrophobicContact CD1-CD1 3.89Å; F290-L306 HydrophobicContact CD2-CD1 4.47Å; F290-L306 HydrophobicContact CE1-CB 4.26Å; F290-L306 HydrophobicContact CE1-CD1 3.1Å; F290-L306 HydrophobicContact CE1-CG 4.33Å; F290-L306 HydrophobicContact CE2-CD1 3.77Å; F290-L306 HydrophobicContact CZ-CD1 3.04Å; F290-L306 HydrophobicContact CZ-CG 4.4Å |
| 291 | K | 39.2 | Very low | 41.2 | Very low | 97 Ų | 97 | 84.2 Ų | 84.2 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | trans | -88.1 | 96.6 | -170 | -163.2 | 175 | -177.9 | -173 | 0 | 113.3 | P287 L299 S304 | P287-K291 WeakPolarHBondContact O-CB 3.26Å; K291-L299 PolarHBondContact NZ-O 3.27Å; K291-S304 PolarHBondContact N-OG 3.3Å | ||
| 292 | V | 37 | Very low | 40.8 | Very low | 46 Ų | 46 | 81.9 Ų | 81.9 | 28% | 0.279 | 47% | 0.474 | S | S | . | . | trans | -129.9 | 108.9 | 143.8 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | W252 F290 V381 | W252-V292 HydrophobicContact CE3-CG2 4.33Å; W252-V292 HydrophobicContact CH2-CG2 3.37Å; W252-V292 HydrophobicContact CZ2-CG2 4.26Å; W252-V292 HydrophobicContact CZ3-CG2 3.36Å; F290-V292 PolarHBondContact O-N 2.88Å; F290-V292 VanDerWaalsContact O-N 3.16Å; V292-V381 HydrophobicContact CB-CG2 4.28Å; V292-V381 HydrophobicContact CG1-CG2 3.34Å; V292-V381 HydrophobicContact CG2-CG1 3.78Å; V292-V381 HydrophobicContact CG2-CG2 3.9Å | ||
| 293 | F | 33.3 | Very low | 40.5 | Very low | 163 Ų | 163 | 86.9 Ų | 86.9 | 72% | 0.715 | 50% | 0.501 | S | S | * | . | trans | -123.7 | 136.7 | 162.4 | -105.1 | -83.2 | 0 | 0 | 0 | 109.5 | ||||
| 294 | S | 27 | Very low | 40.8 | Very low | 96 Ų | 96 | 83.8 Ų | 83.8 | 67% | 0.671 | 49% | 0.49 | S | S | * | . | trans | -54.7 | 137 | 166.6 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 295 | L | 29 | Very low | 41.7 | Very low | 166 Ų | 166 | 80.1 Ų | 80.1 | 87% | 0.869 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 69.6 | 109.7 | 158.3 | -62.1 | 162.5 | 0 | 0 | 0 | 119 | ||
| 296 | G | 31.2 | Very low | 43.1 | Very low | 89 Ų | 89 | 75 Ų | 75 | 92% | 0.918 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 93.6 | 83.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 297 | G | 29.7 | Very low | 44.5 | Very low | 70 Ų | 70 | 72.4 Ų | 72.4 | 72% | 0.722 | 43% | 0.433 | S | S | * | . | trans | 134.1 | 101.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L299 | G297-L299 PolarHBondContact O-N 3.37Å; G297-L299 VanDerWaalsContact O-N 3.14Å | ||
| 298 | A | 42.8 | Very low | 46.2 | Very low | 88 Ų | 88 | 70 Ų | 70 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | trans | -47.6 | 111.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 299 | L | 34.2 | Very low | 48 | Very low | 140 Ų | 140 | 69 Ų | 69 | 73% | 0.733 | 41% | 0.405 | S | S | * | . | trans | -173.4 | 76.3 | 158.6 | -101.1 | 148.7 | 0 | 0 | 0 | 106.6 | K291 G297 S301 | K291-L299 PolarHBondContact NZ-O 3.27Å; G297-L299 PolarHBondContact O-N 3.37Å; G297-L299 VanDerWaalsContact O-N 3.14Å; L299-S301 PolarHBondContact O-N 3.07Å | ||
| 300 | F | 38.9 | Very low | 49.7 | Very low | 114 Ų | 114 | 70.9 Ų | 70.9 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | trans | -80 | 110.2 | 170.3 | -62.7 | -83.7 | 0 | 0 | 0 | 107.1 | ||||
| 301 | S | 39.8 | Very low | 51.6 | Low | 47 Ų | 47 | 70.3 Ų | 70.3 | 33% | 0.329 | 42% | 0.415 | S | S | . | . | trans | -80.2 | 119.1 | 166.1 | 179.4 | 0 | 0 | 0 | 0 | 106.4 | L299 D303 | L299-S301 PolarHBondContact O-N 3.07Å; S301-D303 PolarHBondContact O-N 3.04Å | ||
| 302 | F | 44.8 | Very low | 53.7 | Low | 83 Ų | 83 | 68.7 Ų | 68.7 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.7 | -178.5 | -80.5 | -92.8 | 0 | 0 | 0 | 113.2 | V248 S304 M385 | V248-F302 HydrophobicContact CB-CD1 4.21Å; V248-F302 HydrophobicContact CG1-CB 4.28Å; V248-F302 HydrophobicContact CG1-CD1 3.84Å; V248-F302 VanDerWaalsContact CG1-O 3.22Å; V248-F302 WeakPolarHBondContact CG1-O 3.01Å; F302-S304 VanDerWaalsContact C-N 3.28Å; F302-S304 PolarHBondContact O-N 3.36Å; F302-M385 HydrophobicContact CD1-CE 4.05Å; F302-M385 HydrophobicContact CE1-CE 4.1Å |
| 303 | D | 45.6 | Very low | 56 | Low | 110 Ų | 110 | 71.9 Ų | 71.9 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 12.9 | -172.7 | -58.2 | -32.4 | 0 | 0 | 0 | 113.5 | S288 S301 I305 | S288-D303 CarbonylContact O-C 2.94Å; S301-D303 PolarHBondContact O-N 3.04Å; D303-I305 PolarHBondContact O-N 3.18Å |
| 304 | S | 58.5 | Low | 58.5 | Low | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.028 | 42% | 0.421 | C | S | . | . | trans | -77.3 | 111.4 | -179.1 | -87.6 | 0 | 0 | 0 | 0 | 111.9 | S288 L289 F290 K291 F302 | S288-S304 WeakPolarHBondContact O-CA 3.15Å; S288-S304 WeakPolarHBondContact O-CB 3.36Å; S288-S304 PolarHBondContact O-N 3.43Å; S288-S304 PolarHBondContact O-OG 3.4Å; L289-S304 PolarHBondContact O-OG 2.97Å; F290-S304 PolarHBondContact N-OG 3.09Å; K291-S304 PolarHBondContact N-OG 3.3Å; F302-S304 VanDerWaalsContact C-N 3.28Å; F302-S304 PolarHBondContact O-N 3.36Å | ||
| 305 | I | 66.7 | Low | 61.3 | Low | 35 Ų | 35 | 65 Ų | 65 | 18% | 0.179 | 39% | 0.39 | C | S | . | . | trans | -87.5 | -17.9 | 179.8 | -59.9 | 174.5 | 0 | 0 | 0 | 110.9 | K251 L289 D303 D340 E343 L344 T347 | K251-I305 WeakPolarHBondContact CE-O 3.45Å; K251-I305 VanDerWaalsContact NZ-CG2 3.28Å; K251-I305 PolarHBondContact NZ-O 3.31Å; L289-I305 HydrophobicContact CD2-CB 4.22Å; L289-I305 HydrophobicContact CD2-CD1 3.79Å; L289-I305 HydrophobicContact CD2-CG1 4.07Å; L289-I305 PolarHBondContact O-N 2.69Å; D303-I305 PolarHBondContact O-N 3.18Å; I305-D340 WeakPolarHBondContact O-CB 3.39Å; I305-E343 HydrophobicContact CG2-CB 4.3Å; I305-E343 HydrophobicContact CG2-CG 4.05Å; I305-L344 HydrophobicContact CB-CD2 3.68Å; I305-L344 HydrophobicContact CB-CG 4.37Å; I305-L344 HydrophobicContact CD1-CD2 4.05Å; I305-L344 HydrophobicContact CG1-CD2 4.43Å; I305-L344 HydrophobicContact CG2-CD2 3.61Å; I305-L344 HydrophobicContact CG2-CG 3.94Å; I305-T347 HydrophobicContact CD1-CG2 3.95Å | ||
| 306 | L | 72.2 | Confident | 63.9 | Low | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | trans | -113 | 128.5 | -179.2 | -67 | -179.7 | 0 | 0 | 0 | 113.8 | L289 F290 V336 D340 I341 L344 | L289-L306 PolarHBondContact O-N 3.2Å; F290-L306 HydrophobicContact CD1-CB 4.34Å; F290-L306 HydrophobicContact CD1-CD1 3.89Å; F290-L306 HydrophobicContact CD2-CD1 4.47Å; F290-L306 HydrophobicContact CE1-CB 4.26Å; F290-L306 HydrophobicContact CE1-CD1 3.1Å; F290-L306 HydrophobicContact CE1-CG 4.33Å; F290-L306 HydrophobicContact CE2-CD1 3.77Å; F290-L306 HydrophobicContact CZ-CD1 3.04Å; F290-L306 HydrophobicContact CZ-CG 4.4Å; L306-V336 HydrophobicContact CD2-CG1 4.23Å; L306-D340 HydrophobicContact CD2-CB 3.34Å; L306-D340 VanDerWaalsContact CD2-O 3.24Å; L306-D340 WeakPolarHBondContact CD2-O 3.42Å; L306-D340 HydrophobicContact CG-CB 4.48Å; L306-I341 HydrophobicContact CD2-CG1 4.26Å; L306-L344 HydrophobicContact CD1-CD1 3.17Å; L306-L344 HydrophobicContact CD1-CG 4.15Å; L306-L344 HydrophobicContact CD2-CB 4.49Å; L306-L344 HydrophobicContact CD2-CD1 3.51Å; L306-L344 HydrophobicContact CD2-CG 3.64Å; L306-L344 HydrophobicContact CG-CD1 3.3Å; L306-L344 HydrophobicContact CG-CD2 4.44Å; L306-L344 HydrophobicContact CG-CG 3.72Å | ||
| 307 | F | 79.8 | Confident | 66.4 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | trans | -82.9 | 129.9 | 161.4 | 175.8 | -91.5 | 0 | 0 | 0 | 110.9 | W252 R256 D340 V374 M378 | W252-F307 AromaticContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CH2-CB 4.38Å; W252-F307 HydrophobicContact CH2-CD2 4.39Å; W252-F307 HydrophobicContact CZ3-CB 4.1Å; W252-F307 AromaticContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CD2 3.41Å; W252-F307 VanDerWaalsContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CE2 4.29Å; W252-F307 HydrophobicContact CZ3-CG 4.21Å; R256-F307 VanDerWaalsContact NH2-CB 3.32Å; F307-D340 WeakPolarHBondContact CB-OD2 3.34Å; F307-D340 PolarHBondContact N-OD2 3.21Å; F307-V374 HydrophobicContact CE1-CG1 3.58Å; F307-V374 HydrophobicContact CZ-CG1 3.96Å; F307-M378 HydrophobicContact CB-CE 3.78Å; F307-M378 HydrophobicContact CD1-CE 3.75Å; F307-M378 HydrophobicContact CD2-CB 4.22Å; F307-M378 HydrophobicContact CD2-CE 3.24Å; F307-M378 HydrophobicContact CD2-CG 4.17Å; F307-M378 HydrophobicContact CE1-CE 4.15Å; F307-M378 HydrophobicContact CE2-CB 3.59Å; F307-M378 HydrophobicContact CE2-CE 3.76Å; F307-M378 HydrophobicContact CE2-CG 4.04Å; F307-M378 HydrophobicContact CG-CE 3.29Å; F307-M378 HydrophobicContact CZ-CB 3.98Å; F307-M378 HydrophobicContact CZ-CE 4.17Å | ||
| 308 | Q | 80.7 | Confident | 69.1 | Low | 29 Ų | 29 | 59.4 Ų | 59.4 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.8 | 174.4 | -179.9 | 175.4 | 50.9 | 0 | 0 | 110.6 | Y283 F334 L335 | Y283-Q308 PolarHBondContact OH-NE2 3.26Å; Q308-F334 HydrophobicContact CG-CD1 4.14Å; Q308-L335 WeakPolarHBondContact CA-O 3.36Å |
| 309 | Y | 84.2 | Confident | 71.2 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.5 | 170 | 175.7 | -100.9 | 0 | 0 | 0 | 110.7 | D315 F334 L335 K373 V374 A377 | Y309-D315 VanDerWaalsContact CE1-OD2 3.26Å; Y309-D315 WeakPolarHBondContact CE1-OD2 3.35Å; Y309-D315 PolarHBondContact OH-OD2 2.87Å; Y309-F334 WeakPolarHBondContact O-CA 3.24Å; Y309-L335 HydrophobicContact CD1-CB 4.3Å; Y309-L335 HydrophobicContact CD1-CD1 3.84Å; Y309-L335 HydrophobicContact CD1-CG 4.21Å; Y309-L335 HydrophobicContact CE1-CD1 4.32Å; Y309-L335 PolarHBondContact N-O 3.48Å; Y309-L335 PolarHBondContact O-N 3.26Å; Y309-K373 HydrophobicContact CE2-CB 4.39Å; Y309-K373 WeakPolarHBondContact OH-CB 3.49Å; Y309-V374 HydrophobicContact CD1-CG2 3.75Å; Y309-V374 HydrophobicContact CD2-CB 4.34Å; Y309-V374 HydrophobicContact CD2-CG2 3.83Å; Y309-V374 HydrophobicContact CE1-CG2 3.95Å; Y309-V374 HydrophobicContact CE2-CG2 4.06Å; Y309-V374 HydrophobicContact CG-CG2 3.66Å; Y309-A377 HydrophobicContact CD2-CB 3.89Å; Y309-A377 HydrophobicContact CE2-CB 4.09Å |
| 310 | I | 84.5 | Confident | 73.5 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 33% | 0.328 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.2 | 174.3 | -55.2 | 176.8 | 0 | 0 | 0 | 107.1 | K332 V333 F334 | I310-K332 HydrophobicContact CG2-CB 4.44Å; I310-K332 HydrophobicContact CG2-CD 4.2Å; I310-V333 WeakPolarHBondContact CA-O 3.37Å; I310-F334 HydrophobicContact CD1-CE1 4.3Å; I310-F334 HydrophobicContact CG1-CD1 4.03Å; I310-F334 HydrophobicContact CG1-CE1 3.93Å; I310-F334 HydrophobicContact CG2-CE1 4.47Å |
| 311 | G | 83.7 | Confident | 75.6 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 143.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D315 V333 | G311-D315 WeakPolarHBondContact CA-OD2 3.48Å; G311-V333 PolarHBondContact N-O 3.04Å |
| 312 | D | 85 | Confident | 77.4 | Confident | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | trans | -79.2 | -168 | 172.4 | 68 | 24.8 | 0 | 0 | 0 | 111.8 | D314 D315 R316 K373 | D312-D314 WeakPolarHBondContact OD1-CA 3.44Å; D312-D314 PolarHBondContact OD1-N 3.07Å; D312-D315 PolarHBondContact N-OD2 3.03Å; D312-D315 WeakPolarHBondContact OD1-CB 3.47Å; D312-D315 PolarHBondContact OD1-N 2.66Å; D312-R316 WeakPolarHBondContact O-CB 3.32Å; D312-R316 PolarHBondContact O-N 2.83Å; D312-K373 IonicContact OD1-NZ 2.72Å; D312-K373 PolarHBondContact OD1-NZ 3.36Å; D312-K373 IonicContact OD2-NZ 2.73Å; D312-K373 PolarHBondContact OD2-NZ 3.13Å | ||
| 313 | N | 84 | Confident | 78.3 | Confident | 113 Ų | 113 | 59 Ų | 59 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -72.9 | -33.2 | 179.9 | -152.6 | -39.3 | 0 | 0 | 0 | 112.2 | R316 Q317 | N313-R316 WeakPolarHBondContact O-CB 3.33Å; N313-R316 PolarHBondContact O-N 2.96Å; N313-Q317 PolarHBondContact O-N 3.26Å |
| 314 | D | 85.3 | Confident | 79.2 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74.4 | -42.4 | -178.2 | -57.8 | -33.1 | 0 | 0 | 0 | 110.3 | D312 R316 Q317 W318 | D312-D314 WeakPolarHBondContact OD1-CA 3.44Å; D312-D314 PolarHBondContact OD1-N 3.07Å; D314-R316 PolarHBondContact O-N 3.33Å; D314-Q317 PolarHBondContact O-N 3.27Å; D314-Q317 VanDerWaalsContact O-N 3.08Å; D314-W318 PolarHBondContact O-N 3.5Å |
| 315 | D | 86.6 | Confident | 79.3 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.011 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -38.8 | 173.1 | -53.9 | -25.7 | 0 | 0 | 0 | 110.4 | Y309 G311 D312 L319 I370 K373 | Y309-D315 VanDerWaalsContact CE1-OD2 3.26Å; Y309-D315 WeakPolarHBondContact CE1-OD2 3.35Å; Y309-D315 PolarHBondContact OH-OD2 2.87Å; G311-D315 WeakPolarHBondContact CA-OD2 3.48Å; D312-D315 PolarHBondContact N-OD2 3.03Å; D312-D315 WeakPolarHBondContact OD1-CB 3.47Å; D312-D315 PolarHBondContact OD1-N 2.66Å; D315-L319 WeakPolarHBondContact O-CG 3.07Å; D315-L319 PolarHBondContact O-N 3.32Å; D315-L319 VanDerWaalsContact O-N 3.07Å; D315-I370 HydrophobicContact CB-CD1 4.38Å; D315-K373 WeakPolarHBondContact OD1-CD 3.38Å; D315-K373 IonicContact OD1-NZ 3.49Å; D315-K373 PolarHBondContact OD1-NZ 3.43Å |
| 316 | R | 84.1 | Confident | 78.7 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 174.4 | 178.8 | -178.6 | 175.4 | -83.4 | -8.5 | 111.4 | D312 N313 D314 L319 I320 V333 | D312-R316 WeakPolarHBondContact O-CB 3.32Å; D312-R316 PolarHBondContact O-N 2.83Å; N313-R316 WeakPolarHBondContact O-CB 3.33Å; N313-R316 PolarHBondContact O-N 2.96Å; D314-R316 PolarHBondContact O-N 3.33Å; R316-L319 PolarHBondContact O-N 3.32Å; R316-I320 HydrophobicContact CG-CD1 4.16Å; R316-I320 WeakPolarHBondContact O-CG1 3.44Å; R316-I320 PolarHBondContact O-N 3.42Å; R316-I320 VanDerWaalsContact O-N 3.13Å; R316-V333 HydrophobicContact CB-CG2 3.68Å; R316-V333 HydrophobicContact CG-CG2 3.81Å |
| 317 | Q | 84 | Confident | 78.2 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.9 | -170.9 | 57.4 | 45.9 | 0 | 0 | 110.6 | N313 D314 L319 I320 D321 | N313-Q317 PolarHBondContact O-N 3.26Å; D314-Q317 PolarHBondContact O-N 3.27Å; D314-Q317 VanDerWaalsContact O-N 3.08Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.1Å; Q317-I320 WeakPolarHBondContact O-CB 3.12Å; Q317-I320 PolarHBondContact O-N 2.96Å; Q317-I320 VanDerWaalsContact O-N 3.07Å; Q317-D321 PolarHBondContact NE2-OD1 3.42Å; Q317-D321 PolarHBondContact O-N 3.14Å |
| 318 | W | 86.1 | Confident | 77.1 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 21% | 0.212 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 174.9 | 179.9 | 86.4 | 0 | 0 | 0 | 112.5 | D314 I320 D321 Q322 F364 L366 P367 I370 | D314-W318 PolarHBondContact O-N 3.5Å; W318-I320 VanDerWaalsContact C-N 3.3Å; W318-I320 PolarHBondContact O-N 3.42Å; W318-D321 PolarHBondContact O-N 3.35Å; W318-D321 VanDerWaalsContact O-N 3.16Å; W318-Q322 HydrophobicContact CD2-CG 3.82Å; W318-Q322 HydrophobicContact CE3-CG 4.17Å; W318-Q322 HydrophobicContact CG-CG 4.48Å; W318-Q322 HydrophobicContact CH2-CG 3.75Å; W318-Q322 HydrophobicContact CZ2-CG 3.34Å; W318-Q322 HydrophobicContact CZ3-CG 4.15Å; W318-Q322 WeakPolarHBondContact O-CG 3.21Å; W318-Q322 PolarHBondContact O-N 2.87Å; W318-F364 HydrophobicContact CZ3-CE2 4.22Å; W318-L366 HydrophobicContact CZ3-CD2 4.26Å; W318-P367 HydrophobicContact CD2-CG 4.1Å; W318-P367 HydrophobicContact CH2-CG 4.3Å; W318-P367 HydrophobicContact CZ2-CB 4.35Å; W318-P367 HydrophobicContact CZ2-CG 3.72Å; W318-I370 HydrophobicContact CB-CD1 3.96Å; W318-I370 HydrophobicContact CD2-CD1 3.58Å; W318-I370 HydrophobicContact CE3-CD1 3.5Å; W318-I370 VanDerWaalsContact CE3-CD1 3.5Å; W318-I370 HydrophobicContact CG-CD1 3.77Å; W318-I370 HydrophobicContact CZ3-CD1 4.25Å |
| 319 | L | 86 | Confident | 76 | Confident | 8 Ų | 8 | 82.9 Ų | 82.9 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64 | -33.2 | 176.6 | -76.4 | 168.8 | 0 | 0 | 0 | 113.5 | L265 D315 R316 Q317 L324 M327 V333 L335 F364 | L265-L319 HydrophobicContact CD2-CD1 4.39Å; L265-L319 HydrophobicContact CD2-CD2 4.45Å; D315-L319 WeakPolarHBondContact O-CG 3.07Å; D315-L319 PolarHBondContact O-N 3.32Å; D315-L319 VanDerWaalsContact O-N 3.07Å; R316-L319 PolarHBondContact O-N 3.32Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.1Å; L319-L324 HydrophobicContact CD2-CD2 4.48Å; L319-M327 HydrophobicContact CD1-CE 4.3Å; L319-V333 HydrophobicContact CD1-CB 4.35Å; L319-V333 HydrophobicContact CD1-CG1 3.28Å; L319-V333 HydrophobicContact CD1-CG2 4.24Å; L319-L335 HydrophobicContact CD1-CD2 4.31Å; L319-F364 HydrophobicContact CD2-CE2 3.9Å; L319-F364 HydrophobicContact CD2-CZ 3.94Å |
| 320 | I | 82.7 | Confident | 75 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 173.7 | -68.2 | 165.7 | 0 | 0 | 0 | 109.5 | R316 Q317 W318 K323 | R316-I320 HydrophobicContact CG-CD1 4.16Å; R316-I320 WeakPolarHBondContact O-CG1 3.44Å; R316-I320 PolarHBondContact O-N 3.42Å; R316-I320 VanDerWaalsContact O-N 3.13Å; Q317-I320 WeakPolarHBondContact O-CB 3.12Å; Q317-I320 PolarHBondContact O-N 2.96Å; Q317-I320 VanDerWaalsContact O-N 3.07Å; W318-I320 VanDerWaalsContact C-N 3.3Å; W318-I320 PolarHBondContact O-N 3.42Å; I320-K323 WeakPolarHBondContact O-CA 3.46Å; I320-K323 PolarHBondContact O-N 3.39Å; I320-K323 VanDerWaalsContact O-N 3.07Å |
| 321 | D | 83.2 | Confident | 74.3 | Confident | 99 Ų | 99 | 84.8 Ų | 84.8 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | -176.1 | -65.6 | -14.6 | 0 | 0 | 0 | 112.6 | Q317 W318 K323 | Q317-D321 PolarHBondContact NE2-OD1 3.42Å; Q317-D321 PolarHBondContact O-N 3.14Å; W318-D321 PolarHBondContact O-N 3.35Å; W318-D321 VanDerWaalsContact O-N 3.16Å; D321-K323 PolarHBondContact O-N 3.37Å |
| 322 | Q | 77.4 | Confident | 74 | Confident | 106 Ų | 106 | 91.4 Ų | 91.4 | 50% | 0.495 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -5.1 | 171.6 | -69.6 | -58.4 | -43.8 | 0 | 0 | 113.3 | W318 L324 | W318-Q322 HydrophobicContact CD2-CG 3.82Å; W318-Q322 HydrophobicContact CE3-CG 4.17Å; W318-Q322 HydrophobicContact CG-CG 4.48Å; W318-Q322 HydrophobicContact CH2-CG 3.75Å; W318-Q322 HydrophobicContact CZ2-CG 3.34Å; W318-Q322 HydrophobicContact CZ3-CG 4.15Å; W318-Q322 WeakPolarHBondContact O-CG 3.21Å; W318-Q322 PolarHBondContact O-N 2.87Å; Q322-L324 HydrophobicContact CB-CB 4.14Å; Q322-L324 PolarHBondContact O-N 3.39Å |
| 323 | K | 63.5 | Low | 73.8 | Confident | 189 Ų | 189 | 88.5 Ų | 88.5 | 82% | 0.822 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 14.1 | -173.2 | -60.6 | 178.3 | -178.3 | 173.4 | 0 | 113.2 | I320 D321 K325 | I320-K323 WeakPolarHBondContact O-CA 3.46Å; I320-K323 PolarHBondContact O-N 3.39Å; I320-K323 VanDerWaalsContact O-N 3.07Å; D321-K323 PolarHBondContact O-N 3.37Å; K323-K325 PolarHBondContact O-N 2.93Å; K323-K325 VanDerWaalsContact O-N 3.13Å |
| 324 | L | 64.2 | Low | 73.9 | Confident | 59 Ų | 59 | 85.8 Ų | 85.8 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | trans | -66.5 | -25 | -167.1 | -166.5 | 70.9 | 0 | 0 | 0 | 111.4 | L319 Q322 F364 | L319-L324 HydrophobicContact CD2-CD2 4.48Å; Q322-L324 HydrophobicContact CB-CB 4.14Å; Q322-L324 PolarHBondContact O-N 3.39Å; L324-F364 HydrophobicContact CD2-CB 3.75Å; L324-F364 HydrophobicContact CD2-CD1 3.42Å; L324-F364 VanDerWaalsContact CD2-CD1 3.42Å; L324-F364 HydrophobicContact CD2-CD2 3.65Å; L324-F364 HydrophobicContact CD2-CE1 3.8Å; L324-F364 HydrophobicContact CD2-CE2 4Å; L324-F364 HydrophobicContact CD2-CG 3.32Å; L324-F364 HydrophobicContact CD2-CZ 4.06Å | ||
| 325 | K | 61.7 | Low | 74 | Confident | 51 Ų | 51 | 80.5 Ų | 80.5 | 22% | 0.222 | 40% | 0.396 | C | S | . | . | trans | -156 | 141.9 | 167.6 | -91.9 | 117.4 | -153 | -172.3 | 0 | 111.3 | L265 K323 M327 E362 | L265-K325 HydrophobicContact CD1-CB 4.19Å; L265-K325 HydrophobicContact CD1-CD 3.35Å; L265-K325 HydrophobicContact CD1-CG 4.12Å; L265-K325 HydrophobicContact CG-CD 4.01Å; K323-K325 PolarHBondContact O-N 2.93Å; K323-K325 VanDerWaalsContact O-N 3.13Å; K325-M327 PolarHBondContact O-N 3.02Å; K325-E362 WeakPolarHBondContact CE-OE2 3.28Å; K325-E362 IonicContact NZ-OE2 3.48Å; K325-E362 PolarHBondContact NZ-OE2 3.02Å | ||
| 326 | R | 54.6 | Low | 74.1 | Confident | 226 Ų | 226 | 80.6 Ų | 80.6 | 85% | 0.853 | 40% | 0.396 | S | S | * | . | trans | -65.5 | 84.1 | 160.2 | -60.8 | -177.9 | -171.6 | -176.3 | 3.8 | 107.4 | K328 | R326-K328 HydrophobicContact CB-CG 4.4Å; R326-K328 PolarHBondContact O-N 3.44Å | ||
| 327 | M | 60.7 | Low | 74.4 | Confident | 54 Ų | 54 | 77.3 Ų | 77.3 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | trans | -63.4 | 88.4 | 165.1 | -82.1 | -157.5 | 175 | 0 | 0 | 107.7 | L265 L319 K325 N329 V333 | L265-M327 HydrophobicContact CD1-CE 4.09Å; L319-M327 HydrophobicContact CD1-CE 4.3Å; K325-M327 PolarHBondContact O-N 3.02Å; M327-N329 PolarHBondContact O-N 3.11Å; M327-V333 HydrophobicContact CE-CB 4.19Å; M327-V333 HydrophobicContact CE-CG1 3.89Å; M327-V333 HydrophobicContact CE-CG2 3.67Å; M327-V333 HydrophobicContact SD-CG2 3.84Å | ||
| 328 | K | 57.9 | Low | 74.7 | Confident | 182 Ų | 182 | 74.4 Ų | 74.4 | 79% | 0.791 | 37% | 0.371 | S | S | * | . | trans | -63.4 | -19.2 | -179 | -69 | 177.9 | -176.7 | 176.5 | 0 | 111.9 | R326 | R326-K328 HydrophobicContact CB-CG 4.4Å; R326-K328 PolarHBondContact O-N 3.44Å | ||
| 329 | N | 57.4 | Low | 74.8 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -124.9 | 125.8 | -166.8 | -58.4 | 36.7 | 0 | 0 | 0 | 109.6 | M327 G331 | M327-N329 PolarHBondContact O-N 3.11Å; N329-G331 PolarHBondContact O-N 3.14Å |
| 330 | G | 61.8 | Low | 74.8 | Confident | 81 Ų | 81 | 76.1 Ų | 76.1 | 84% | 0.835 | 38% | 0.381 | S | S | * | . | trans | -72.1 | 57 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 331 | G | 70.7 | Confident | 74.9 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | -105.3 | 178.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N329 | N329-G331 PolarHBondContact O-N 3.14Š| ||
| 332 | K | 76.8 | Confident | 75.1 | Confident | 149 Ų | 149 | 72.5 Ų | 72.5 | 65% | 0.648 | 36% | 0.361 | S | S | * | . | trans | -62.9 | 143.9 | 170.5 | -63 | -175.8 | 179.4 | -172.9 | 0 | 110.3 | I310 F334 | I310-K332 HydrophobicContact CG2-CB 4.44Å; I310-K332 HydrophobicContact CG2-CD 4.2Å; K332-F334 HydrophobicContact CB-CE2 4.03Å; K332-F334 HydrophobicContact CB-CZ 3.98Å | ||
| 333 | V | 82.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.6 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | I310 G311 R316 L319 M327 L335 | I310-V333 WeakPolarHBondContact CA-O 3.37Å; G311-V333 PolarHBondContact N-O 3.04Å; R316-V333 HydrophobicContact CB-CG2 3.68Å; R316-V333 HydrophobicContact CG-CG2 3.81Å; L319-V333 HydrophobicContact CD1-CB 4.35Å; L319-V333 HydrophobicContact CD1-CG1 3.28Å; L319-V333 HydrophobicContact CD1-CG2 4.24Å; M327-V333 HydrophobicContact CE-CB 4.19Å; M327-V333 HydrophobicContact CE-CG1 3.89Å; M327-V333 HydrophobicContact CE-CG2 3.67Å; M327-V333 HydrophobicContact SD-CG2 3.84Å; V333-L335 HydrophobicContact CG1-CD2 4.06Å; V333-L335 HydrophobicContact CG1-CG 4.29Å |
| 334 | F | 85.1 | Confident | 76.2 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.8 | 173.7 | -61.6 | -78.4 | 0 | 0 | 0 | 108.9 | G266 Q308 Y309 I310 K332 | G266-F334 PolarHBondContact N-O 3.17Å; Q308-F334 HydrophobicContact CG-CD1 4.14Å; Y309-F334 WeakPolarHBondContact O-CA 3.24Å; I310-F334 HydrophobicContact CD1-CE1 4.3Å; I310-F334 HydrophobicContact CG1-CD1 4.03Å; I310-F334 HydrophobicContact CG1-CE1 3.93Å; I310-F334 HydrophobicContact CG2-CE1 4.47Å; K332-F334 HydrophobicContact CB-CE2 4.03Å; K332-F334 HydrophobicContact CB-CZ 3.98Å |
| 335 | L | 88.4 | Confident | 76.9 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.5 | 174.7 | -57.3 | -176.8 | 0 | 0 | 0 | 109 | F263 L265 Q308 Y309 L319 V333 F364 L366 | F263-L335 HydrophobicContact CD1-CB 4.48Å; L265-L335 HydrophobicContact CD2-CD2 3.62Å; Q308-L335 WeakPolarHBondContact CA-O 3.36Å; Y309-L335 HydrophobicContact CD1-CB 4.3Å; Y309-L335 HydrophobicContact CD1-CD1 3.84Å; Y309-L335 HydrophobicContact CD1-CG 4.21Å; Y309-L335 HydrophobicContact CE1-CD1 4.32Å; Y309-L335 PolarHBondContact N-O 3.48Å; Y309-L335 PolarHBondContact O-N 3.26Å; L319-L335 HydrophobicContact CD1-CD2 4.31Å; V333-L335 HydrophobicContact CG1-CD2 4.06Å; V333-L335 HydrophobicContact CG1-CG 4.29Å; L335-F364 HydrophobicContact CD2-CZ 3.78Å; L335-L366 HydrophobicContact CD1-CD1 4.12Å; L335-L366 HydrophobicContact CD1-CD2 3.94Å |
| 336 | V | 88.7 | Confident | 77.8 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141 | -179.7 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | F263 V264 L306 I341 | F263-V336 CarbonylContact C-O 3.59Å; F263-V336 WeakPolarHBondContact CA-O 3.26Å; V264-V336 PolarHBondContact N-O 2.95Å; V264-V336 PolarHBondContact O-N 3.12Å; L306-V336 HydrophobicContact CD2-CG1 4.23Å; V336-I341 HydrophobicContact CB-CD1 4.18Å; V336-I341 HydrophobicContact CG1-CD1 3.85Å; V336-I341 HydrophobicContact CG1-CG1 3.75Å |
| 337 | L | 90.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 134 | 176.4 | -169.8 | 68.6 | 0 | 0 | 0 | 110.1 | L257 F263 E339 D340 I341 | L257-L337 HydrophobicContact CD2-CD1 4.01Å; L257-L337 HydrophobicContact CD2-CD2 4.41Å; F263-L337 HydrophobicContact CD1-CD1 4.43Å; F263-L337 HydrophobicContact CE1-CD1 4.03Å; F263-L337 HydrophobicContact CE2-CD1 4.3Å; F263-L337 HydrophobicContact CZ-CD1 3.97Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 HydrophobicContact CD2-CB 3.99Å; L337-E339 HydrophobicContact CD2-CG 4.47Å; L337-E339 HydrophobicContact CG-CB 4.1Å; L337-E339 HydrophobicContact CG-CG 4.46Å; L337-E339 PolarHBondContact O-N 2.96Å; L337-D340 HydrophobicContact CB-CB 4.3Å; L337-D340 PolarHBondContact O-N 2.95Å; L337-I341 PolarHBondContact O-N 3.46Å |
| 338 | L | 89.5 | Confident | 79.2 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 178.7 | 179.7 | 70.3 | 0 | 0 | 0 | 111.7 | E262 V264 D340 I341 I342 L361 P363 | E262-L338 HydrophobicContact CB-CB 4.1Å; E262-L338 HydrophobicContact CB-CD2 4.07Å; E262-L338 WeakPolarHBondContact O-CB 3.49Å; E262-L338 PolarHBondContact O-N 3.28Å; E262-L338 VanDerWaalsContact OE2-CD2 3.23Å; E262-L338 WeakPolarHBondContact OE2-CD2 3.43Å; V264-L338 HydrophobicContact CG2-CB 4.38Å; V264-L338 HydrophobicContact CG2-CD1 3.79Å; L338-D340 VanDerWaalsContact C-N 3.26Å; L338-D340 PolarHBondContact O-N 3.02Å; L338-I341 WeakPolarHBondContact O-CB 2.92Å; L338-I341 PolarHBondContact O-N 3.33Å; L338-I342 HydrophobicContact CD1-CD1 4.48Å; L338-I342 HydrophobicContact CD2-CD1 4.23Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 HydrophobicContact CG-CG1 4.39Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 2.96Å; L338-L361 HydrophobicContact CD1-CD1 3.99Å; L338-P363 HydrophobicContact CD2-CB 3.93Å; L338-P363 HydrophobicContact CD2-CG 4.27Å |
| 339 | E | 88.9 | Confident | 79.7 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.5 | -44.5 | -179.9 | -63.9 | 173.8 | -169.3 | 0 | 0 | 111.6 | L337 I341 I342 E343 | L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 HydrophobicContact CD2-CB 3.99Å; L337-E339 HydrophobicContact CD2-CG 4.47Å; L337-E339 HydrophobicContact CG-CB 4.1Å; L337-E339 HydrophobicContact CG-CG 4.46Å; L337-E339 PolarHBondContact O-N 2.96Å; E339-I341 VanDerWaalsContact C-N 3.31Å; E339-I341 PolarHBondContact O-N 3.27Å; E339-I342 PolarHBondContact O-N 2.82Å; E339-E343 PolarHBondContact O-N 3.5Å |
| 340 | D | 86.3 | Confident | 80 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -35 | 179.4 | -68.7 | -14.2 | 0 | 0 | 0 | 111.2 | K251 R256 I305 L306 F307 L337 L338 E343 L344 | K251-D340 WeakPolarHBondContact CE-OD1 3.3Å; K251-D340 IonicContact NZ-OD1 3.06Å; R256-D340 IonicContact CZ-OD1 3.31Å; R256-D340 IonicContact CZ-OD2 2.74Å; R256-D340 IonicContact NH1-OD1 2.8Å; R256-D340 PolarHBondContact NH1-OD1 3.42Å; R256-D340 IonicContact NH1-OD2 2.66Å; R256-D340 IonicContact NH2-OD1 2.76Å; R256-D340 PolarHBondContact NH2-OD1 3.16Å; R256-D340 IonicContact NH2-OD2 3.72Å; R256-D340 PolarHBondContact NH2-OD2 2.95Å; I305-D340 WeakPolarHBondContact O-CB 3.39Å; L306-D340 HydrophobicContact CD2-CB 3.34Å; L306-D340 VanDerWaalsContact CD2-O 3.24Å; L306-D340 WeakPolarHBondContact CD2-O 3.42Å; L306-D340 HydrophobicContact CG-CB 4.48Å; F307-D340 WeakPolarHBondContact CB-OD2 3.34Å; F307-D340 PolarHBondContact N-OD2 3.21Å; L337-D340 HydrophobicContact CB-CB 4.3Å; L337-D340 PolarHBondContact O-N 2.95Å; L338-D340 VanDerWaalsContact C-N 3.26Å; L338-D340 PolarHBondContact O-N 3.02Å; D340-E343 PolarHBondContact O-N 3.12Å; D340-L344 WeakPolarHBondContact O-CB 3.48Å; D340-L344 PolarHBondContact O-N 3.01Å |
| 341 | I | 84.9 | Confident | 80 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 176.3 | -62.1 | 168.2 | 0 | 0 | 0 | 111.1 | V264 A269 L273 L306 V336 L337 L338 E339 E343 L344 A345 L358 L361 | V264-I341 HydrophobicContact CB-CD1 4.07Å; V264-I341 HydrophobicContact CG2-CD1 4.33Å; A269-I341 HydrophobicContact CB-CD1 3.63Å; A269-I341 HydrophobicContact CB-CG1 4.34Å; L273-I341 HydrophobicContact CD2-CG2 4.3Å; L273-I341 HydrophobicContact CG-CG2 4.46Å; L306-I341 HydrophobicContact CD2-CG1 4.26Å; V336-I341 HydrophobicContact CB-CD1 4.18Å; V336-I341 HydrophobicContact CG1-CD1 3.85Å; V336-I341 HydrophobicContact CG1-CG1 3.75Å; L337-I341 PolarHBondContact O-N 3.46Å; L338-I341 WeakPolarHBondContact O-CB 2.92Å; L338-I341 PolarHBondContact O-N 3.33Å; E339-I341 VanDerWaalsContact C-N 3.31Å; E339-I341 PolarHBondContact O-N 3.27Å; I341-E343 VanDerWaalsContact C-N 3.35Å; I341-L344 WeakPolarHBondContact O-CB 3.49Å; I341-L344 PolarHBondContact O-N 3.21Å; I341-A345 WeakPolarHBondContact O-CB 3.24Å; I341-A345 PolarHBondContact O-N 3.44Å; I341-L358 HydrophobicContact CG2-CD2 4.34Å; I341-L361 HydrophobicContact CG2-CD1 4.03Å |
| 342 | I | 86.5 | Confident | 79.9 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.8 | -65.9 | 168.9 | 0 | 0 | 0 | 110.2 | L338 E339 L344 A345 S346 | L338-I342 HydrophobicContact CD1-CD1 4.48Å; L338-I342 HydrophobicContact CD2-CD1 4.23Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 HydrophobicContact CG-CG1 4.39Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 2.96Å; E339-I342 PolarHBondContact O-N 2.82Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 3.03Å; I342-A345 PolarHBondContact O-N 3.39Å; I342-S346 PolarHBondContact O-N 3.16Å; I342-S346 VanDerWaalsContact O-N 3.09Å; I342-S346 PolarHBondContact O-OG 3.35Å |
| 343 | E | 83.7 | Confident | 79.6 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.9 | -169.9 | -175.1 | 150.5 | 0 | 0 | 110.9 | K251 I305 E339 D340 I341 A345 S346 T347 | K251-E343 IonicContact NZ-OE1 3.73Å; K251-E343 PolarHBondContact NZ-OE1 2.8Å; K251-E343 IonicContact NZ-OE2 3.76Å; K251-E343 PolarHBondContact NZ-OE2 3.23Å; I305-E343 HydrophobicContact CG2-CB 4.3Å; I305-E343 HydrophobicContact CG2-CG 4.05Å; E339-E343 PolarHBondContact O-N 3.5Å; D340-E343 PolarHBondContact O-N 3.12Å; I341-E343 VanDerWaalsContact C-N 3.35Å; E343-A345 PolarHBondContact O-N 3.25Å; E343-S346 WeakPolarHBondContact O-CB 3.19Å; E343-S346 PolarHBondContact O-N 3.31Å; E343-S346 VanDerWaalsContact O-N 3.12Å; E343-T347 WeakPolarHBondContact O-CG2 3.44Å; E343-T347 PolarHBondContact O-N 2.78Å |
| 344 | L | 80.2 | Confident | 78.9 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 174 | -89 | -161.5 | 0 | 0 | 0 | 113.7 | L273 L289 I305 L306 D340 I341 I342 S346 T347 C350 | L273-L344 HydrophobicContact CD1-CD1 3.9Å; L289-L344 HydrophobicContact CD1-CD2 4.15Å; L289-L344 HydrophobicContact CD2-CD2 3.69Å; L289-L344 HydrophobicContact CG-CD2 4.4Å; I305-L344 HydrophobicContact CB-CD2 3.68Å; I305-L344 HydrophobicContact CB-CG 4.37Å; I305-L344 HydrophobicContact CD1-CD2 4.05Å; I305-L344 HydrophobicContact CG1-CD2 4.43Å; I305-L344 HydrophobicContact CG2-CD2 3.61Å; I305-L344 HydrophobicContact CG2-CG 3.94Å; L306-L344 HydrophobicContact CD1-CD1 3.17Å; L306-L344 HydrophobicContact CD1-CG 4.15Å; L306-L344 HydrophobicContact CD2-CB 4.49Å; L306-L344 HydrophobicContact CD2-CD1 3.51Å; L306-L344 HydrophobicContact CD2-CG 3.64Å; L306-L344 HydrophobicContact CG-CD1 3.3Å; L306-L344 HydrophobicContact CG-CD2 4.44Å; L306-L344 HydrophobicContact CG-CG 3.72Å; D340-L344 WeakPolarHBondContact O-CB 3.48Å; D340-L344 PolarHBondContact O-N 3.01Å; I341-L344 WeakPolarHBondContact O-CB 3.49Å; I341-L344 PolarHBondContact O-N 3.21Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 3.03Å; L344-S346 PolarHBondContact O-N 3.42Å; L344-T347 PolarHBondContact O-N 3.32Å; L344-T347 VanDerWaalsContact O-N 3.07Å; L344-T347 PolarHBondContact O-OG1 2.71Å; L344-C350 VanDerWaalsContact O-CB 3.31Å; L344-C350 WeakPolarHBondContact O-CB 2.89Å; L344-C350 PolarHBondContact O-SG 3.03Å; L344-C350 VanDerWaalsContact O-SG 3.33Å |
| 345 | A | 79.1 | Confident | 78.4 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -25.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L273 I341 I342 E343 T347 V356 L358 | L273-A345 HydrophobicContact CD2-CB 4.5Å; I341-A345 WeakPolarHBondContact O-CB 3.24Å; I341-A345 PolarHBondContact O-N 3.44Å; I342-A345 PolarHBondContact O-N 3.39Å; E343-A345 PolarHBondContact O-N 3.25Å; A345-T347 VanDerWaalsContact C-N 3.33Å; A345-V356 HydrophobicContact CB-CG1 4.33Å; A345-L358 HydrophobicContact CB-CD1 4.06Å; A345-L358 HydrophobicContact CB-CD2 3.94Å; A345-L358 HydrophobicContact CB-CG 4.39Å |
| 346 | S | 79.9 | Confident | 78 | Confident | 88 Ų | 88 | 63 Ų | 63 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -78.4 | -14.7 | 176.2 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | I342 E343 L344 | I342-S346 PolarHBondContact O-N 3.16Å; I342-S346 VanDerWaalsContact O-N 3.09Å; I342-S346 PolarHBondContact O-OG 3.35Å; E343-S346 WeakPolarHBondContact O-CB 3.19Å; E343-S346 PolarHBondContact O-N 3.31Å; E343-S346 VanDerWaalsContact O-N 3.12Å; L344-S346 PolarHBondContact O-N 3.42Å |
| 347 | T | 77.2 | Confident | 77.6 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -71.2 | 145.8 | 178.3 | 80.3 | 0 | 0 | 0 | 0 | 110.6 | I305 E343 L344 A345 E349 C350 R351 | I305-T347 HydrophobicContact CD1-CG2 3.95Å; E343-T347 WeakPolarHBondContact O-CG2 3.44Å; E343-T347 PolarHBondContact O-N 2.78Å; L344-T347 PolarHBondContact O-N 3.32Å; L344-T347 VanDerWaalsContact O-N 3.07Å; L344-T347 PolarHBondContact O-OG1 2.71Å; A345-T347 VanDerWaalsContact C-N 3.33Å; T347-E349 WeakPolarHBondContact CB-OE2 3.31Å; T347-E349 PolarHBondContact O-N 3.08Å; T347-E349 VanDerWaalsContact O-N 3.14Å; T347-E349 PolarHBondContact OG1-OE2 3.46Å; T347-C350 PolarHBondContact O-N 3.14Å; T347-C350 VanDerWaalsContact O-N 3.08Å; T347-R351 PolarHBondContact O-N 2.95Å |
| 348 | P | 68.2 | Low | 77.2 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.2 | -30.1 | -175.4 | 23.9 | -33.5 | 0 | 0 | 0 | 112.4 | C350 R351 D352 | P348-C350 VanDerWaalsContact C-N 3.3Å; P348-C350 PolarHBondContact O-N 3.27Å; P348-R351 PolarHBondContact O-N 3.34Å; P348-D352 PolarHBondContact O-N 3.39Å |
| 349 | E | 67.5 | Low | 77 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.4 | -29.8 | -180 | -52.3 | 79 | -171.9 | 0 | 0 | 113.1 | T347 N353 | T347-E349 WeakPolarHBondContact CB-OE2 3.31Å; T347-E349 PolarHBondContact O-N 3.08Å; T347-E349 VanDerWaalsContact O-N 3.14Å; T347-E349 PolarHBondContact OG1-OE2 3.46Å; E349-N353 PolarHBondContact O-ND2 3.07Å |
| 350 | C | 63.3 | Low | 76.7 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -89.5 | -35.8 | 175.8 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | L344 T347 P348 D352 N353 V356 | L344-C350 VanDerWaalsContact O-CB 3.31Å; L344-C350 WeakPolarHBondContact O-CB 2.89Å; L344-C350 PolarHBondContact O-SG 3.03Å; L344-C350 VanDerWaalsContact O-SG 3.33Å; T347-C350 PolarHBondContact O-N 3.14Å; T347-C350 VanDerWaalsContact O-N 3.08Å; P348-C350 VanDerWaalsContact C-N 3.3Å; P348-C350 PolarHBondContact O-N 3.27Å; C350-D352 PolarHBondContact O-N 3.39Å; C350-N353 WeakPolarHBondContact O-CB 3.42Å; C350-N353 PolarHBondContact O-N 3.45Å; C350-V356 HydrophobicContact CB-CG2 4.42Å; C350-V356 WeakPolarHBondContact O-CG2 3.41Å |
| 351 | R | 63.5 | Low | 76.7 | Confident | 208 Ų | 208 | 74.7 Ų | 74.7 | 79% | 0.785 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.1 | -33.4 | 179 | -172.9 | 177.5 | 177.6 | 179.7 | -0.3 | 113.1 | T347 P348 N353 | T347-R351 PolarHBondContact O-N 2.95Å; P348-R351 PolarHBondContact O-N 3.34Å; R351-N353 VanDerWaalsContact C-N 3.26Å; R351-N353 PolarHBondContact O-N 3.32Å |
| 352 | D | 67.7 | Low | 76.8 | Confident | 133 Ų | 133 | 79.8 Ų | 79.8 | 71% | 0.711 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.2 | 177.4 | -69.2 | -20.7 | 0 | 0 | 0 | 113.2 | P348 C350 P354 | P348-D352 PolarHBondContact O-N 3.39Å; C350-D352 PolarHBondContact O-N 3.39Å; D352-P354 WeakPolarHBondContact O-CD 3.33Å |
| 353 | N | 69.9 | Low | 77 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 33% | 0.326 | 42% | 0.422 | S | S | . | . | trans | -89.5 | 116.6 | 179.2 | -64.4 | -48.1 | 0 | 0 | 0 | 110.7 | E349 C350 R351 E355 V356 | E349-N353 PolarHBondContact O-ND2 3.07Å; C350-N353 WeakPolarHBondContact O-CB 3.42Å; C350-N353 PolarHBondContact O-N 3.45Å; R351-N353 VanDerWaalsContact C-N 3.26Å; R351-N353 PolarHBondContact O-N 3.32Å; N353-E355 PolarHBondContact O-N 3.4Å; N353-V356 HydrophobicContact CB-CG2 4.02Å; N353-V356 PolarHBondContact O-N 3.34Å | ||
| 354 | P | 68.3 | Low | 77.3 | Confident | 131 Ų | 131 | 75.1 Ų | 75.1 | 85% | 0.851 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.9 | 177.7 | 30.2 | -36.1 | 0 | 0 | 0 | 113.8 | D352 V356 | D352-P354 WeakPolarHBondContact O-CD 3.33Å; P354-V356 VanDerWaalsContact C-N 3.32Å |
| 355 | E | 74.6 | Confident | 77.9 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.1 | 179.6 | -62.8 | -176.3 | -176.7 | 0 | 0 | 113.4 | G274 N353 D357 | G274-E355 WeakPolarHBondContact CA-O 3.45Å; G274-E355 PolarHBondContact N-O 3.36Å; G274-E355 VanDerWaalsContact O-OE2 3.05Å; N353-E355 PolarHBondContact O-N 3.4Å; E355-D357 PolarHBondContact O-N 2.95Å |
| 356 | V | 79.6 | Confident | 78.4 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 24% | 0.242 | 42% | 0.424 | C | S | . | . | trans | -78.8 | 113 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | A272 A345 C350 N353 P354 | A272-V356 CarbonylContact O-C 3.46Å; A272-V356 VanDerWaalsContact O-CA 3.26Å; A272-V356 WeakPolarHBondContact O-CA 3.4Å; A272-V356 WeakPolarHBondContact O-CG1 3.25Å; A345-V356 HydrophobicContact CB-CG1 4.33Å; C350-V356 HydrophobicContact CB-CG2 4.42Å; C350-V356 WeakPolarHBondContact O-CG2 3.41Å; N353-V356 HydrophobicContact CB-CG2 4.02Å; N353-V356 PolarHBondContact O-N 3.34Å; P354-V356 VanDerWaalsContact C-N 3.32Å | ||
| 357 | D | 81.1 | Confident | 78.9 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | trans | -126.9 | 99.6 | 176.3 | -178.5 | 15.1 | 0 | 0 | 0 | 110.9 | A272 E355 S359 | A272-D357 VanDerWaalsContact CA-O 3.25Å; A272-D357 WeakPolarHBondContact CA-O 3.39Å; A272-D357 VanDerWaalsContact CB-O 3.29Å; A272-D357 WeakPolarHBondContact CB-O 3.48Å; A272-D357 PolarHBondContact O-N 3.44Å; E355-D357 PolarHBondContact O-N 2.95Å; D357-S359 VanDerWaalsContact C-N 3.27Å; D357-S359 VanDerWaalsContact CG-OG 3.28Å; D357-S359 PolarHBondContact O-N 2.84Å; D357-S359 VanDerWaalsContact OD1-CB 3.26Å; D357-S359 WeakPolarHBondContact OD1-CB 3.24Å; D357-S359 PolarHBondContact OD1-N 2.95Å; D357-S359 PolarHBondContact OD1-OG 3.45Å; D357-S359 PolarHBondContact OD2-OG 3.11Å | ||
| 358 | L | 82.3 | Confident | 79.5 | Confident | 73 Ų | 73 | 80.7 Ų | 80.7 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -73.4 | -18.7 | 176 | -61.8 | 177.5 | 0 | 0 | 0 | 112.7 | I341 A345 M360 L361 | I341-L358 HydrophobicContact CG2-CD2 4.34Å; A345-L358 HydrophobicContact CB-CD1 4.06Å; A345-L358 HydrophobicContact CB-CD2 3.94Å; A345-L358 HydrophobicContact CB-CG 4.39Å; L358-M360 PolarHBondContact O-N 3.34Å; L358-L361 HydrophobicContact CB-CD1 4.27Å; L358-L361 HydrophobicContact CD2-CD1 3.67Å; L358-L361 WeakPolarHBondContact O-CB 3.48Å; L358-L361 WeakPolarHBondContact O-CG 3.34Å; L358-L361 PolarHBondContact O-N 2.92Å; L358-L361 VanDerWaalsContact O-N 3.15Å |
| 359 | S | 84 | Confident | 80.5 | Confident | 103 Ų | 103 | 79.5 Ų | 79.5 | 72% | 0.72 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -69.6 | -19.8 | -178.7 | 76.6 | 0 | 0 | 0 | 0 | 112.8 | D357 L361 | D357-S359 VanDerWaalsContact C-N 3.27Å; D357-S359 VanDerWaalsContact CG-OG 3.28Å; D357-S359 PolarHBondContact O-N 2.84Å; D357-S359 VanDerWaalsContact OD1-CB 3.26Å; D357-S359 WeakPolarHBondContact OD1-CB 3.24Å; D357-S359 PolarHBondContact OD1-N 2.95Å; D357-S359 PolarHBondContact OD1-OG 3.45Å; D357-S359 PolarHBondContact OD2-OG 3.11Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.17Å |
| 360 | M | 83.6 | Confident | 81.6 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 48% | 0.483 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -75 | -13.4 | 175.1 | -168.4 | -178.5 | 176.2 | 0 | 0 | 112.9 | Q268 S271 L358 | Q268-M360 PolarHBondContact NE2-O 3.42Å; S271-M360 WeakPolarHBondContact CB-SD 3.47Å; L358-M360 PolarHBondContact O-N 3.34Å |
| 361 | L | 86.3 | Confident | 82.9 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | trans | -74 | 133.1 | -178 | -62.9 | 168.9 | 0 | 0 | 0 | 111 | V264 Q268 A272 L338 I341 L358 S359 P363 | V264-L361 HydrophobicContact CG1-CD2 3.78Å; V264-L361 HydrophobicContact CG2-CD2 4.32Å; Q268-L361 HydrophobicContact CG-CD2 4.29Å; A272-L361 HydrophobicContact CB-CD1 4.15Å; A272-L361 HydrophobicContact CB-CD2 3.36Å; A272-L361 HydrophobicContact CB-CG 3.62Å; L338-L361 HydrophobicContact CD1-CD1 3.99Å; I341-L361 HydrophobicContact CG2-CD1 4.03Å; L358-L361 HydrophobicContact CB-CD1 4.27Å; L358-L361 HydrophobicContact CD2-CD1 3.67Å; L358-L361 WeakPolarHBondContact O-CB 3.48Å; L358-L361 WeakPolarHBondContact O-CG 3.34Å; L358-L361 PolarHBondContact O-N 2.92Å; L358-L361 VanDerWaalsContact O-N 3.15Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.17Å; L361-P363 WeakPolarHBondContact O-CD 3.46Å | ||
| 362 | E | 86.5 | Confident | 84.2 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | trans | -117.1 | 89.2 | 174.1 | -69.2 | 173.8 | 173.5 | 0 | 0 | 106.5 | Q268 K325 | Q268-E362 VanDerWaalsContact NE2-CB 3.31Å; K325-E362 WeakPolarHBondContact CE-OE2 3.28Å; K325-E362 IonicContact NZ-OE2 3.48Å; K325-E362 PolarHBondContact NZ-OE2 3.02Å | ||
| 363 | P | 90.4 | Very high | 85.3 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -67.6 | 147.9 | 175.4 | 26 | -31.1 | 0 | 0 | 0 | 111.4 | E262 F263 V264 L338 L361 | E262-P363 HydrophobicContact CB-CB 3.85Å; E262-P363 HydrophobicContact CG-CB 4.3Å; F263-P363 WeakPolarHBondContact O-CA 3.3Å; V264-P363 HydrophobicContact CG2-CB 4.42Å; L338-P363 HydrophobicContact CD2-CB 3.93Å; L338-P363 HydrophobicContact CD2-CG 4.27Å; L361-P363 WeakPolarHBondContact O-CD 3.46Å | ||
| 364 | F | 90.8 | Very high | 86.2 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.8 | 173.7 | 63.2 | -84.4 | 0 | 0 | 0 | 110.9 | F263 L265 W318 L319 L324 L335 L366 | F263-F364 HydrophobicContact CB-CZ 4.45Å; F263-F364 PolarHBondContact N-O 3.19Å; F263-F364 WeakPolarHBondContact O-CD1 3.32Å; F263-F364 WeakPolarHBondContact O-CE1 3.48Å; F263-F364 PolarHBondContact O-N 3.25Å; L265-F364 HydrophobicContact CD2-CE1 3.91Å; L265-F364 HydrophobicContact CD2-CZ 3.8Å; L265-F364 HydrophobicContact CG-CE1 4.21Å; W318-F364 HydrophobicContact CZ3-CE2 4.22Å; L319-F364 HydrophobicContact CD2-CE2 3.9Å; L319-F364 HydrophobicContact CD2-CZ 3.94Å; L324-F364 HydrophobicContact CD2-CB 3.75Å; L324-F364 HydrophobicContact CD2-CD1 3.42Å; L324-F364 VanDerWaalsContact CD2-CD1 3.42Å; L324-F364 HydrophobicContact CD2-CD2 3.65Å; L324-F364 HydrophobicContact CD2-CE1 3.8Å; L324-F364 HydrophobicContact CD2-CE2 4Å; L324-F364 HydrophobicContact CD2-CG 3.32Å; L324-F364 HydrophobicContact CD2-CZ 4.06Å; L335-F364 HydrophobicContact CD2-CZ 3.78Å; F364-L366 HydrophobicContact CD2-CD2 4.17Å; F364-L366 HydrophobicContact CE2-CD2 3.58Å |
| 365 | K | 91.6 | Very high | 87.2 | Confident | 102 Ų | 102 | 57.2 Ų | 57.2 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 144.1 | 176 | -63.9 | -175.5 | 177.9 | -173.7 | 0 | 110.5 | N260 E262 | N260-K365 PolarHBondContact OD1-NZ 3.46Å; E262-K365 HydrophobicContact CG-CG 4.42Å |
| 366 | L | 90.9 | Very high | 87.8 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 146.1 | 175.5 | -65.5 | 178.3 | 0 | 0 | 0 | 110.7 | F263 W318 L335 F364 I370 L371 V374 | F263-L366 HydrophobicContact CB-CG 4.38Å; F263-L366 HydrophobicContact CD1-CD1 4.02Å; F263-L366 HydrophobicContact CD2-CB 4.44Å; F263-L366 HydrophobicContact CD2-CD1 3.51Å; F263-L366 HydrophobicContact CD2-CG 3.56Å; F263-L366 HydrophobicContact CE1-CD1 4.04Å; F263-L366 HydrophobicContact CE2-CD1 3.53Å; F263-L366 HydrophobicContact CE2-CG 3.95Å; F263-L366 HydrophobicContact CG-CD1 3.75Å; F263-L366 HydrophobicContact CG-CG 3.98Å; F263-L366 HydrophobicContact CZ-CD1 3.78Å; W318-L366 HydrophobicContact CZ3-CD2 4.26Å; L335-L366 HydrophobicContact CD1-CD1 4.12Å; L335-L366 HydrophobicContact CD1-CD2 3.94Å; F364-L366 HydrophobicContact CD2-CD2 4.17Å; F364-L366 HydrophobicContact CE2-CD2 3.58Å; L366-I370 HydrophobicContact CD1-CG2 4.15Å; L366-I370 HydrophobicContact CD2-CG2 4.21Å; L366-L371 HydrophobicContact CB-CB 4.32Å; L366-V374 HydrophobicContact CD1-CG2 3.9Å |
| 367 | P | 90.4 | Very high | 88 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 153.1 | 168.6 | 33.2 | -36 | 0 | 0 | 0 | 108.7 | W318 C369 I370 L371 | W318-P367 HydrophobicContact CD2-CG 4.1Å; W318-P367 HydrophobicContact CH2-CG 4.3Å; W318-P367 HydrophobicContact CZ2-CB 4.35Å; W318-P367 HydrophobicContact CZ2-CG 3.72Å; P367-C369 PolarHBondContact O-N 3.42Å; P367-C369 VanDerWaalsContact O-N 3.13Å; P367-I370 HydrophobicContact CG-CB 4.01Å; P367-I370 HydrophobicContact CG-CD1 3.67Å; P367-I370 HydrophobicContact CG-CG1 3.73Å; P367-I370 PolarHBondContact O-N 2.96Å; P367-I370 VanDerWaalsContact O-N 3.07Å; P367-L371 WeakPolarHBondContact O-CB 3.02Å; P367-L371 PolarHBondContact O-N 3.37Å |
| 368 | L | 89.7 | Confident | 88.2 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.2 | -39.3 | -175.8 | -61.7 | 178.6 | 0 | 0 | 0 | 112.6 | E259 I370 L371 D372 | E259-L368 HydrophobicContact CB-CD2 4.35Å; E259-L368 HydrophobicContact CG-CD2 3.56Å; L368-I370 PolarHBondContact O-N 3.47Å; L368-L371 HydrophobicContact CD2-CD2 4.46Å; L368-L371 PolarHBondContact O-N 3.32Å; L368-D372 WeakPolarHBondContact O-CB 3.37Å; L368-D372 VanDerWaalsContact O-CG 3.28Å; L368-D372 PolarHBondContact O-N 2.78Å |
| 369 | C | 89.7 | Confident | 88.3 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 114 | P367 K373 C407 | P367-C369 PolarHBondContact O-N 3.42Å; P367-C369 VanDerWaalsContact O-N 3.13Å; C369-K373 PolarHBondContact O-N 2.98Å; C369-C407 VanDerWaalsContact CB-SG 3.57Å |
| 370 | I | 90.3 | Very high | 88.1 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.2 | -37.7 | 177 | -58.2 | 177.7 | 0 | 0 | 0 | 109.4 | D315 W318 L366 P367 L368 D372 K373 V374 | D315-I370 HydrophobicContact CB-CD1 4.38Å; W318-I370 HydrophobicContact CB-CD1 3.96Å; W318-I370 HydrophobicContact CD2-CD1 3.58Å; W318-I370 HydrophobicContact CE3-CD1 3.5Å; W318-I370 VanDerWaalsContact CE3-CD1 3.5Å; W318-I370 HydrophobicContact CG-CD1 3.77Å; W318-I370 HydrophobicContact CZ3-CD1 4.25Å; L366-I370 HydrophobicContact CD1-CG2 4.15Å; L366-I370 HydrophobicContact CD2-CG2 4.21Å; P367-I370 HydrophobicContact CG-CB 4.01Å; P367-I370 HydrophobicContact CG-CD1 3.67Å; P367-I370 HydrophobicContact CG-CG1 3.73Å; P367-I370 PolarHBondContact O-N 2.96Å; P367-I370 VanDerWaalsContact O-N 3.07Å; L368-I370 PolarHBondContact O-N 3.47Å; I370-D372 VanDerWaalsContact C-N 3.27Å; I370-D372 PolarHBondContact O-N 2.99Å; I370-K373 WeakPolarHBondContact O-CB 3.15Å; I370-K373 PolarHBondContact O-N 3Å; I370-V374 HydrophobicContact CG2-CG2 4.31Å; I370-V374 VanDerWaalsContact O-CG2 3.26Å; I370-V374 WeakPolarHBondContact O-CG2 3.22Å; I370-V374 PolarHBondContact O-N 3.35Å |
| 371 | L | 90.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -39.4 | 177.2 | -174.9 | 64.4 | 0 | 0 | 0 | 111.8 | L257 E259 F263 L366 P367 L368 V374 K375 | L257-L371 HydrophobicContact CB-CD1 4.32Å; E259-L371 HydrophobicContact CG-CD2 4.45Å; F263-L371 HydrophobicContact CE2-CD1 4.03Å; F263-L371 HydrophobicContact CZ-CD1 4.2Å; L366-L371 HydrophobicContact CB-CB 4.32Å; P367-L371 WeakPolarHBondContact O-CB 3.02Å; P367-L371 PolarHBondContact O-N 3.37Å; L368-L371 HydrophobicContact CD2-CD2 4.46Å; L368-L371 PolarHBondContact O-N 3.32Å; L371-V374 WeakPolarHBondContact O-CB 3.41Å; L371-V374 PolarHBondContact O-N 3.42Å; L371-K375 WeakPolarHBondContact O-CG 3.46Å; L371-K375 PolarHBondContact O-N 2.79Å |
| 372 | D | 90.6 | Very high | 87.5 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.2 | -39 | 176.8 | -71.8 | -24.5 | 0 | 0 | 0 | 112.2 | L368 I370 V374 K375 Y376 | L368-D372 WeakPolarHBondContact O-CB 3.37Å; L368-D372 VanDerWaalsContact O-CG 3.28Å; L368-D372 PolarHBondContact O-N 2.78Å; I370-D372 VanDerWaalsContact C-N 3.27Å; I370-D372 PolarHBondContact O-N 2.99Å; D372-V374 VanDerWaalsContact C-N 3.31Å; D372-V374 PolarHBondContact O-N 3.1Å; D372-K375 PolarHBondContact O-N 2.77Å; D372-Y376 WeakPolarHBondContact O-CB 3.33Å; D372-Y376 PolarHBondContact O-N 2.88Å |
| 373 | K | 89.2 | Confident | 87.1 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 170.4 | -66.1 | 179.8 | -175.1 | -179.3 | 0 | 111.6 | Y309 D312 D315 C369 I370 Y376 A377 Y403 | Y309-K373 HydrophobicContact CE2-CB 4.39Å; Y309-K373 WeakPolarHBondContact OH-CB 3.49Å; D312-K373 IonicContact OD1-NZ 2.72Å; D312-K373 PolarHBondContact OD1-NZ 3.36Å; D312-K373 IonicContact OD2-NZ 2.73Å; D312-K373 PolarHBondContact OD2-NZ 3.13Å; D315-K373 WeakPolarHBondContact OD1-CD 3.38Å; D315-K373 IonicContact OD1-NZ 3.49Å; D315-K373 PolarHBondContact OD1-NZ 3.43Å; C369-K373 PolarHBondContact O-N 2.98Å; I370-K373 WeakPolarHBondContact O-CB 3.15Å; I370-K373 PolarHBondContact O-N 3Å; K373-Y376 PolarHBondContact O-N 3.18Å; K373-A377 WeakPolarHBondContact O-CB 3.37Å; K373-A377 PolarHBondContact O-N 2.99Å; K373-Y403 HydrophobicContact CG-CE2 4.16Å |
| 374 | V | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | L257 F263 F307 Y309 L366 I370 L371 D372 Y376 A377 M378 | L257-V374 HydrophobicContact CD1-CG1 3.79Å; F263-V374 HydrophobicContact CE1-CG1 4.07Å; F263-V374 HydrophobicContact CZ-CG1 4.13Å; F307-V374 HydrophobicContact CE1-CG1 3.58Å; F307-V374 HydrophobicContact CZ-CG1 3.96Å; Y309-V374 HydrophobicContact CD1-CG2 3.75Å; Y309-V374 HydrophobicContact CD2-CB 4.34Å; Y309-V374 HydrophobicContact CD2-CG2 3.83Å; Y309-V374 HydrophobicContact CE1-CG2 3.95Å; Y309-V374 HydrophobicContact CE2-CG2 4.06Å; Y309-V374 HydrophobicContact CG-CG2 3.66Å; L366-V374 HydrophobicContact CD1-CG2 3.9Å; I370-V374 HydrophobicContact CG2-CG2 4.31Å; I370-V374 VanDerWaalsContact O-CG2 3.26Å; I370-V374 WeakPolarHBondContact O-CG2 3.22Å; I370-V374 PolarHBondContact O-N 3.35Å; L371-V374 WeakPolarHBondContact O-CB 3.41Å; L371-V374 PolarHBondContact O-N 3.42Å; D372-V374 VanDerWaalsContact C-N 3.31Å; D372-V374 PolarHBondContact O-N 3.1Å; V374-Y376 VanDerWaalsContact C-N 3.35Å; V374-A377 PolarHBondContact O-N 2.71Å; V374-M378 WeakPolarHBondContact O-CB 3.45Å; V374-M378 PolarHBondContact O-N 3.22Å |
| 375 | K | 89.8 | Confident | 85.2 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 27% | 0.265 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.5 | -78.3 | 173.2 | 176.5 | 174.8 | 0 | 111.8 | L257 L371 D372 M378 A379 | L257-K375 HydrophobicContact CB-CG 3.84Å; L257-K375 HydrophobicContact CD1-CG 3.85Å; L257-K375 HydrophobicContact CG-CG 4.49Å; L257-K375 WeakPolarHBondContact O-CE 3.33Å; L257-K375 PolarHBondContact O-NZ 2.73Å; L371-K375 WeakPolarHBondContact O-CG 3.46Å; L371-K375 PolarHBondContact O-N 2.79Å; D372-K375 PolarHBondContact O-N 2.77Å; K375-M378 PolarHBondContact O-N 3.2Å; K375-A379 WeakPolarHBondContact O-CB 3.46Å; K375-A379 PolarHBondContact O-N 3.44Å |
| 376 | Y | 86.4 | Confident | 84.2 | Confident | 74 Ų | 74 | 41.5 Ų | 41.5 | 29% | 0.29 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 176.8 | -176.3 | -88.9 | 0 | 0 | 0 | 111 | D372 K373 V374 M378 A379 E380 | D372-Y376 WeakPolarHBondContact O-CB 3.33Å; D372-Y376 PolarHBondContact O-N 2.88Å; K373-Y376 PolarHBondContact O-N 3.18Å; V374-Y376 VanDerWaalsContact C-N 3.35Å; Y376-M378 VanDerWaalsContact C-N 3.3Å; Y376-M378 PolarHBondContact O-N 3.21Å; Y376-A379 WeakPolarHBondContact O-CB 3.25Å; Y376-A379 PolarHBondContact O-N 2.86Å; Y376-A379 VanDerWaalsContact O-N 3.11Å; Y376-E380 HydrophobicContact CD1-CG 4.24Å; Y376-E380 VanDerWaalsContact CE1-CD 3.45Å; Y376-E380 HydrophobicContact CE1-CG 3.8Å; Y376-E380 PolarHBondContact O-N 2.88Å |
| 377 | A | 85.3 | Confident | 82.6 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y309 K373 V374 V381 | Y309-A377 HydrophobicContact CD2-CB 3.89Å; Y309-A377 HydrophobicContact CE2-CB 4.09Å; K373-A377 WeakPolarHBondContact O-CB 3.37Å; K373-A377 PolarHBondContact O-N 2.99Å; V374-A377 PolarHBondContact O-N 2.71Å; A377-V381 WeakPolarHBondContact O-CG2 3.29Å; A377-V381 PolarHBondContact O-N 2.77Å |
| 378 | M | 84.7 | Confident | 81 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 174.4 | -176 | 172.4 | -80.2 | 0 | 0 | 112.2 | W252 R256 L257 F307 V374 K375 Y376 E380 V381 Y382 | W252-M378 VanDerWaalsContact O-CG 3.24Å; W252-M378 WeakPolarHBondContact O-CG 3.34Å; R256-M378 HydrophobicContact CG-SD 4.14Å; R256-M378 VanDerWaalsContact NE-CE 3.28Å; R256-M378 VanDerWaalsContact NH2-CE 3.32Å; L257-M378 HydrophobicContact CD1-CB 4.29Å; L257-M378 HydrophobicContact CD1-CE 3.99Å; L257-M378 HydrophobicContact CD1-SD 3.75Å; L257-M378 HydrophobicContact CD2-CE 4.25Å; L257-M378 HydrophobicContact CG-CE 4.21Å; L257-M378 HydrophobicContact CG-SD 3.94Å; F307-M378 HydrophobicContact CB-CE 3.78Å; F307-M378 HydrophobicContact CD1-CE 3.75Å; F307-M378 HydrophobicContact CD2-CB 4.22Å; F307-M378 HydrophobicContact CD2-CE 3.24Å; F307-M378 HydrophobicContact CD2-CG 4.17Å; F307-M378 HydrophobicContact CE1-CE 4.15Å; F307-M378 HydrophobicContact CE2-CB 3.59Å; F307-M378 HydrophobicContact CE2-CE 3.76Å; F307-M378 HydrophobicContact CE2-CG 4.04Å; F307-M378 HydrophobicContact CG-CE 3.29Å; F307-M378 HydrophobicContact CZ-CB 3.98Å; F307-M378 HydrophobicContact CZ-CE 4.17Å; V374-M378 WeakPolarHBondContact O-CB 3.45Å; V374-M378 PolarHBondContact O-N 3.22Å; K375-M378 PolarHBondContact O-N 3.2Å; Y376-M378 VanDerWaalsContact C-N 3.3Å; Y376-M378 PolarHBondContact O-N 3.21Å; M378-E380 VanDerWaalsContact C-N 3.34Å; M378-E380 PolarHBondContact O-N 2.95Å; M378-V381 WeakPolarHBondContact O-CB 3.37Å; M378-V381 PolarHBondContact O-N 3.02Å; M378-Y382 WeakPolarHBondContact O-CB 3.25Å; M378-Y382 PolarHBondContact O-N 3.25Å |
| 379 | A | 83.8 | Confident | 79.3 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P254 K375 Y376 V381 Y382 N383 | P254-A379 HydrophobicContact CB-CB 4.23Å; P254-A379 HydrophobicContact CG-CB 3.98Å; K375-A379 WeakPolarHBondContact O-CB 3.46Å; K375-A379 PolarHBondContact O-N 3.44Å; Y376-A379 WeakPolarHBondContact O-CB 3.25Å; Y376-A379 PolarHBondContact O-N 2.86Å; Y376-A379 VanDerWaalsContact O-N 3.11Å; A379-V381 VanDerWaalsContact C-N 3.31Å; A379-V381 PolarHBondContact O-N 3.42Å; A379-Y382 PolarHBondContact O-N 3.22Å; A379-N383 VanDerWaalsContact O-CB 3.28Å; A379-N383 WeakPolarHBondContact O-CB 3.43Å; A379-N383 PolarHBondContact O-N 3.02Å; A379-N383 PolarHBondContact O-ND2 3.04Å; A379-N383 VanDerWaalsContact O-ND2 3.16Å |
| 380 | E | 80.8 | Confident | 77.2 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.2 | -72.8 | -170.5 | 118.1 | 0 | 0 | 111.8 | Y376 M378 G384 | Y376-E380 HydrophobicContact CD1-CG 4.24Å; Y376-E380 VanDerWaalsContact CE1-CD 3.45Å; Y376-E380 HydrophobicContact CE1-CG 3.8Å; Y376-E380 PolarHBondContact O-N 2.88Å; M378-E380 VanDerWaalsContact C-N 3.34Å; M378-E380 PolarHBondContact O-N 2.95Å; E380-G384 PolarHBondContact O-N 3.4Å |
| 381 | V | 77.2 | Confident | 75.1 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -50 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | W252 V292 A377 M378 A379 N383 G384 M385 | W252-V381 HydrophobicContact CD2-CG1 3.99Å; W252-V381 HydrophobicContact CE3-CB 4.09Å; W252-V381 HydrophobicContact CE3-CG1 3.6Å; W252-V381 HydrophobicContact CZ3-CG1 3.99Å; V292-V381 HydrophobicContact CB-CG2 4.28Å; V292-V381 HydrophobicContact CG1-CG2 3.34Å; V292-V381 HydrophobicContact CG2-CG1 3.78Å; V292-V381 HydrophobicContact CG2-CG2 3.9Å; A377-V381 WeakPolarHBondContact O-CG2 3.29Å; A377-V381 PolarHBondContact O-N 2.77Å; M378-V381 WeakPolarHBondContact O-CB 3.37Å; M378-V381 PolarHBondContact O-N 3.02Å; A379-V381 VanDerWaalsContact C-N 3.31Å; A379-V381 PolarHBondContact O-N 3.42Å; V381-N383 VanDerWaalsContact C-N 3.32Å; V381-N383 PolarHBondContact O-N 2.83Å; V381-G384 WeakPolarHBondContact O-CA 3.5Å; V381-G384 PolarHBondContact O-N 2.9Å; V381-G384 VanDerWaalsContact O-N 3.12Å; V381-M385 HydrophobicContact CG1-CG 4.48Å; V381-M385 HydrophobicContact CG1-SD 3.92Å; V381-M385 WeakPolarHBondContact O-CG 3.43Å; V381-M385 PolarHBondContact O-N 3.08Å |
| 382 | Y | 80.4 | Confident | 72.3 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.5 | -46.7 | 178.8 | -179.3 | -96.4 | 0 | 0 | 0 | 112.2 | L249 W252 N253 M378 A379 G384 M385 K386 | L249-Y382 HydrophobicContact CD1-CD2 3.71Å; L249-Y382 HydrophobicContact CD1-CE2 3.53Å; L249-Y382 HydrophobicContact CD1-CG 4.45Å; L249-Y382 HydrophobicContact CD2-CE2 4.38Å; L249-Y382 HydrophobicContact CG-CD2 4.18Å; L249-Y382 HydrophobicContact CG-CE2 3.52Å; L249-Y382 WeakPolarHBondContact O-CD2 3.42Å; L249-Y382 WeakPolarHBondContact O-CE2 3.26Å; W252-Y382 HydrophobicContact CB-CD2 4.12Å; W252-Y382 WeakPolarHBondContact O-CB 3.29Å; W252-Y382 WeakPolarHBondContact O-CD2 3.31Å; N253-Y382 HydrophobicContact CB-CD2 4.44Å; N253-Y382 HydrophobicContact CB-CE2 4.11Å; M378-Y382 WeakPolarHBondContact O-CB 3.25Å; M378-Y382 PolarHBondContact O-N 3.25Å; A379-Y382 PolarHBondContact O-N 3.22Å; Y382-G384 PolarHBondContact O-N 2.76Å; Y382-M385 PolarHBondContact O-N 2.75Å; Y382-K386 HydrophobicContact CE1-CD 4.17Å; Y382-K386 WeakPolarHBondContact O-CB 3.41Å; Y382-K386 PolarHBondContact O-N 2.92Å |
| 383 | N | 76.5 | Confident | 69.5 | Low | 72 Ų | 72 | 66.5 Ų | 66.5 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.5 | -73.5 | -28.9 | 0 | 0 | 0 | 111.4 | A379 V381 M385 K386 M387 | A379-N383 VanDerWaalsContact O-CB 3.28Å; A379-N383 WeakPolarHBondContact O-CB 3.43Å; A379-N383 PolarHBondContact O-N 3.02Å; A379-N383 PolarHBondContact O-ND2 3.04Å; A379-N383 VanDerWaalsContact O-ND2 3.16Å; V381-N383 VanDerWaalsContact C-N 3.32Å; V381-N383 PolarHBondContact O-N 2.83Å; N383-M385 VanDerWaalsContact C-N 3.29Å; N383-M385 PolarHBondContact O-N 2.91Å; N383-K386 PolarHBondContact O-N 2.92Å; N383-M387 WeakPolarHBondContact O-CB 3.3Å; N383-M387 WeakPolarHBondContact O-CG 3.3Å; N383-M387 PolarHBondContact O-N 3.29Å |
| 384 | G | 71.9 | Confident | 66.7 | Low | 31 Ų | 31 | 70.8 Ų | 70.8 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E380 V381 Y382 S388 | E380-G384 PolarHBondContact O-N 3.4Å; V381-G384 WeakPolarHBondContact O-CA 3.5Å; V381-G384 PolarHBondContact O-N 2.9Å; V381-G384 VanDerWaalsContact O-N 3.12Å; Y382-G384 PolarHBondContact O-N 2.76Å; G384-S388 PolarHBondContact O-N 3.18Å |
| 385 | M | 69.2 | Low | 63.9 | Low | 8 Ų | 8 | 82 Ų | 82 | 4% | 0.039 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -71 | -45.7 | 178.4 | -64.9 | 170.7 | 89.8 | 0 | 0 | 112.2 | V248 L249 W252 F302 V381 Y382 N383 M387 S388 S389 | V248-M385 HydrophobicContact CG1-CE 3.81Å; L249-M385 HydrophobicContact CD1-CB 4.01Å; W252-M385 HydrophobicContact CB-SD 4.06Å; W252-M385 VanDerWaalsContact CD1-CE 3.49Å; W252-M385 HydrophobicContact CD2-SD 4.2Å; W252-M385 HydrophobicContact CG-CE 4.29Å; W252-M385 HydrophobicContact CG-SD 3.62Å; F302-M385 HydrophobicContact CD1-CE 4.05Å; F302-M385 HydrophobicContact CE1-CE 4.1Å; V381-M385 HydrophobicContact CG1-CG 4.48Å; V381-M385 HydrophobicContact CG1-SD 3.92Å; V381-M385 WeakPolarHBondContact O-CG 3.43Å; V381-M385 PolarHBondContact O-N 3.08Å; Y382-M385 PolarHBondContact O-N 2.75Å; N383-M385 VanDerWaalsContact C-N 3.29Å; N383-M385 PolarHBondContact O-N 2.91Å; M385-M387 VanDerWaalsContact C-N 3.3Å; M385-M387 PolarHBondContact O-N 3.33Å; M385-S388 PolarHBondContact O-N 2.96Å; M385-S388 VanDerWaalsContact O-N 3.07Å; M385-S388 PolarHBondContact O-OG 2.89Å; M385-S389 PolarHBondContact O-N 2.8Å |
| 386 | K | 70.7 | Confident | 61.1 | Low | 103 Ų | 103 | 90.1 Ų | 90.1 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 178.5 | -173.5 | 177.5 | 179 | 179.3 | 0 | 112.7 | L249 Y382 N383 S388 S389 S390 | L249-K386 HydrophobicContact CD1-CB 4.41Å; Y382-K386 HydrophobicContact CE1-CD 4.17Å; Y382-K386 WeakPolarHBondContact O-CB 3.41Å; Y382-K386 PolarHBondContact O-N 2.92Å; N383-K386 PolarHBondContact O-N 2.92Å; K386-S388 VanDerWaalsContact C-N 3.32Å; K386-S389 PolarHBondContact O-OG 3.41Å; K386-S390 WeakPolarHBondContact O-CB 3.46Å; K386-S390 PolarHBondContact O-N 3.23Å; K386-S390 PolarHBondContact O-OG 3.03Å |
| 387 | M | 59 | Low | 58.8 | Low | 153 Ų | 153 | 92.9 Ų | 92.9 | 75% | 0.754 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.9 | -30.5 | 175.9 | -69.9 | -67.7 | -170.6 | 0 | 0 | 112.4 | N383 M385 | N383-M387 WeakPolarHBondContact O-CB 3.3Å; N383-M387 WeakPolarHBondContact O-CG 3.3Å; N383-M387 PolarHBondContact O-N 3.29Å; M385-M387 VanDerWaalsContact C-N 3.3Å; M385-M387 PolarHBondContact O-N 3.33Å |
| 388 | S | 55.9 | Low | 56.4 | Low | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -76.5 | -29.8 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | G384 M385 K386 | G384-S388 PolarHBondContact O-N 3.18Å; M385-S388 PolarHBondContact O-N 2.96Å; M385-S388 VanDerWaalsContact O-N 3.07Å; M385-S388 PolarHBondContact O-OG 2.89Å; K386-S388 VanDerWaalsContact C-N 3.32Å |
| 389 | S | 55 | Low | 53.9 | Low | 71 Ų | 71 | 103 Ų | 103 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -82.1 | -28.1 | 177.9 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | M385 K386 A391 | M385-S389 PolarHBondContact O-N 2.8Å; K386-S389 PolarHBondContact O-OG 3.41Å; S389-A391 PolarHBondContact O-N 3.38Å |
| 390 | S | 45.4 | Very low | 51.6 | Low | 68 Ų | 68 | 108.8 Ų | 108.8 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | trans | -89.1 | 84.6 | -180 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | K386 S392 | K386-S390 WeakPolarHBondContact O-CB 3.46Å; K386-S390 PolarHBondContact O-N 3.23Å; K386-S390 PolarHBondContact O-OG 3.03Å; S390-S392 PolarHBondContact O-N 3.33Å | ||
| 391 | A | 44.5 | Very low | 49.6 | Very low | 100 Ų | 100 | 108.1 Ų | 108.1 | 83% | 0.826 | 59% | 0.591 | S | S | * | * | trans | -67.7 | 69.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S389 | S389-A391 PolarHBondContact O-N 3.38Š| ||
| 392 | S | 33.1 | Very low | 47.5 | Very low | 106 Ų | 106 | 118.1 Ų | 118.1 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | trans | -157.6 | 114.8 | 165.3 | -97.4 | 0 | 0 | 0 | 0 | 111.5 | S390 S394 | S390-S392 PolarHBondContact O-N 3.33Å; S392-S394 PolarHBondContact O-N 2.86Å | ||
| 393 | R | 31.4 | Very low | 45.5 | Very low | 251 Ų | 251 | 121.6 Ų | 121.6 | 95% | 0.947 | 64% | 0.64 | S | S | * | * | trans | -58.6 | 115.7 | 169.7 | -65.8 | 168.1 | 175.4 | 163.5 | -3 | 109.1 | ||||
| 394 | S | 31.3 | Very low | 43.6 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 66% | 0.655 | S | S | * | * | trans | -177.3 | 123.7 | 133 | 41.3 | 0 | 0 | 0 | 0 | 112.3 | S392 | S392-S394 PolarHBondContact O-N 2.86Š| ||
| 395 | R | 30.5 | Very low | 42.1 | Very low | 235 Ų | 235 | 127.2 Ų | 127.2 | 89% | 0.887 | 67% | 0.667 | S | S | * | * | trans | 58.1 | 108.1 | 139.3 | -155.9 | 169.6 | -71.4 | 163.4 | -1.7 | 118.3 | T397 | R395-T397 PolarHBondContact O-N 2.96Š| ||
| 396 | W | 29.8 | Very low | 40.3 | Very low | 232 Ų | 232 | 132.5 Ų | 132.5 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | trans | -34.9 | 122.2 | 154.4 | -60.7 | 88.8 | 0 | 0 | 0 | 112.8 | ||||
| 397 | T | 38.9 | Very low | 38.9 | Very low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | 162.1 | 80.8 | 127.4 | 52.4 | 0 | 0 | 0 | 0 | 108.5 | R395 | R395-T397 PolarHBondContact O-N 2.96Š| |||
| 398 | D | 34.7 | Very low | 37.8 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 95% | 0.947 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -165.5 | 129.7 | 148.8 | -123.2 | -18.6 | 0 | 0 | 0 | 111.2 | ||
| 399 | G | 32.4 | Very low | 36.9 | Very low | 60 Ų | 60 | 137.6 Ų | 137.6 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | trans | 91.7 | 22.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | V401 | G399-V401 PolarHBondContact O-N 3.06Š| ||
| 400 | L | 35.1 | Very low | 35.9 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -66.9 | 107.3 | 163.9 | -157.6 | 82.7 | 0 | 0 | 0 | 107.9 | R402 | L400-R402 PolarHBondContact O-N 2.85Š| ||
| 401 | V | 38.3 | Very low | 35.3 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 103.7 | 167.6 | 178.3 | 0 | 0 | 0 | 0 | 106.2 | G399 Y403 | G399-V401 PolarHBondContact O-N 3.06Å; V401-Y403 PolarHBondContact O-N 3.28Å | ||
| 402 | R | 33.9 | Very low | 34.8 | Very low | 231 Ų | 231 | 148.5 Ų | 148.5 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -68.3 | 116.1 | 178.1 | -71.6 | -171.9 | -177.7 | -177.6 | 1.8 | 107.7 | L400 | L400-R402 PolarHBondContact O-N 2.85Š| ||
| 403 | Y | 38.4 | Very low | 34.9 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 45% | 0.447 | 77% | 0.769 | S | S | . | * | trans | -73.2 | 123.1 | 167.5 | 176.8 | -107.1 | 0 | 0 | 0 | 108.7 | K373 V401 P405 | K373-Y403 HydrophobicContact CG-CE2 4.16Å; V401-Y403 PolarHBondContact O-N 3.28Å; Y403-P405 HydrophobicContact CD1-CB 4.38Å; Y403-P405 HydrophobicContact CE1-CB 3.66Å; Y403-P405 HydrophobicContact CE1-CG 4.35Å | ||
| 404 | D | 37.4 | Very low | 35.1 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -109.2 | 110 | 172.2 | -148.6 | -12.9 | 0 | 0 | 0 | 108.2 | V406 | D404-V406 VanDerWaalsContact C-N 3.28Å; D404-V406 PolarHBondContact O-N 3.47Å | ||
| 405 | P | 40.1 | Very low | 35.4 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 58% | 0.578 | 75% | 0.754 | S | S | * | * | trans | -79.4 | 76.1 | -177.4 | 31.5 | -32.3 | 0 | 0 | 0 | 110.1 | Y403 | Y403-P405 HydrophobicContact CD1-CB 4.38Å; Y403-P405 HydrophobicContact CE1-CB 3.66Å; Y403-P405 HydrophobicContact CE1-CG 4.35Å | ||
| 406 | V | 31.1 | Very low | 35.8 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -112.4 | 101.5 | 161.8 | -171.7 | 0 | 0 | 0 | 0 | 107.8 | D404 | D404-V406 VanDerWaalsContact C-N 3.28Å; D404-V406 PolarHBondContact O-N 3.47Å | ||
| 407 | C | 39.9 | Very low | 36.4 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 100% | 1.041 | 73% | 0.731 | S | S | * | * | trans | -129.7 | 0 | 161.7 | -76.9 | 0 | 0 | 0 | 0 | 108 | C369 | C369-C407 VanDerWaalsContact CB-SG 3.57Š|
Retrieved 407 of 407 residues in 60.8 ms
(Link to these results)